Built with Packmol 0 1 6006 timestep 1 6006 0 1 0.001000 39.10 0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.4189E+01 1.1749E+01 6.4577E-01 O1 2 15.999400 -1.000000 -1.3321E+01 1.3151E+01 3.8332E-01 O2 3 15.999400 -1.000000 -1.4921E+01 1.1273E+01 -7.7798E-01 O3 4 15.999400 -1.000000 -1.3158E+01 1.0545E+01 1.1719E+00 O4 5 15.999400 -1.000000 -1.5358E+01 1.2027E+01 1.8058E+00 CU 6 63.465000 2.000000 -1.1728E+01 9.7348E+00 1.8591E+00 O6 7 15.999400 -0.847600 1.4254E+01 -4.9199E-01 1.5651E+01 H1 8 1.008000 0.423800 1.3538E+01 -6.3159E-01 1.6335E+01 H2 9 1.008000 0.423800 1.3844E+01 -1.5920E-01 1.4802E+01 O6 10 15.999400 -0.847600 -1.4250E+01 1.3063E+01 1.2181E+01 H1 11 1.008000 0.423800 -1.5073E+01 1.3472E+01 1.2576E+01 H2 12 1.008000 0.423800 -1.3552E+01 1.2967E+01 1.2890E+01 O6 13 15.999400 -0.847600 5.7282E-02 -1.1977E+01 6.0857E+00 H1 14 1.008000 0.423800 -7.9772E-01 -1.2477E+01 6.2267E+00 H2 15 1.008000 0.423800 -1.3582E-01 -1.1107E+01 5.6335E+00 O6 16 15.999400 -0.847600 -5.1698E+00 -1.8197E+01 1.2859E+01 H1 17 1.008000 0.423800 -4.5374E+00 -1.7966E+01 1.2120E+01 H2 18 1.008000 0.423800 -4.6666E+00 -1.8259E+01 1.3721E+01 O6 19 15.999400 -0.847600 -1.5143E+01 -1.7230E+01 8.4204E+00 H1 20 1.008000 0.423800 -1.5708E+01 -1.8046E+01 8.5397E+00 H2 21 1.008000 0.423800 -1.4561E+01 -1.7342E+01 7.6154E+00 O6 22 15.999400 -0.847600 -1.5987E+01 -9.3263E+00 1.3851E+01 H1 23 1.008000 0.423800 -1.6294E+01 -9.5974E+00 1.2938E+01 H2 24 1.008000 0.423800 -1.5512E+01 -8.4479E+00 1.3795E+01 O6 25 15.999400 -0.847600 9.1904E+00 -4.9304E+00 3.7224E+00 H1 26 1.008000 0.423800 9.8057E+00 -5.5644E+00 3.2541E+00 H2 27 1.008000 0.423800 8.6128E+00 -4.4683E+00 3.0495E+00 O6 28 15.999400 -0.847600 -1.1277E+01 -1.1248E+00 -1.7169E+00 H1 29 1.008000 0.423800 -1.2117E+01 -1.5392E+00 -2.0681E+00 H2 30 1.008000 0.423800 -1.0632E+01 -9.8936E-01 -2.4692E+00 O6 31 15.999400 -0.847600 1.2681E+00 1.3030E+01 1.3873E+01 H1 32 1.008000 0.423800 3.2287E-01 1.2820E+01 1.3623E+01 H2 33 1.008000 0.423800 1.8134E+00 1.3150E+01 1.3043E+01 O6 34 15.999400 -0.847600 -7.0032E+00 3.3894E+00 -1.4065E+01 H1 35 1.008000 0.423800 -7.1996E+00 3.3393E+00 -1.3086E+01 H2 36 1.008000 0.423800 -6.0133E+00 3.3987E+00 -1.4206E+01 O6 37 15.999400 -0.847600 1.0637E+01 -9.1102E+00 6.8310E+00 H1 38 1.008000 0.423800 1.0292E+01 -1.0010E+01 6.5624E+00 H2 39 1.008000 0.423800 1.0419E+01 -8.9437E+00 7.7928E+00 O6 40 15.999400 -0.847600 -5.1359E+00 -3.9394E+00 2.5046E+00 H1 41 1.008000 0.423800 -4.6444E+00 -4.7380E+00 2.1574E+00 H2 42 1.008000 0.423800 -5.0019E+00 -3.1688E+00 1.8816E+00 O6 43 15.999400 -0.847600 -6.3938E+00 -7.6223E+00 1.7786E+00 H1 44 1.008000 0.423800 -7.0090E+00 -8.0192E+00 2.4599E+00 H2 45 1.008000 0.423800 -6.7738E+00 -6.7576E+00 1.4501E+00 O6 46 15.999400 -0.847600 -1.1018E+01 1.3043E+01 -1.0757E+00 H1 47 1.008000 0.423800 -1.1179E+01 1.3930E+01 -1.5080E+00 H2 48 1.008000 0.423800 -1.1867E+01 1.2715E+01 -6.6188E-01 O6 49 15.999400 -0.847600 -1.0309E+01 -1.8755E+01 -1.2824E+01 H1 50 1.008000 0.423800 -1.0048E+01 -1.9457E+01 -1.2161E+01 H2 51 1.008000 0.423800 -9.5343E+00 -1.8562E+01 -1.3427E+01 O6 52 15.999400 -0.847600 1.5319E+01 8.5071E-02 -2.9174E+00 H1 53 1.008000 0.423800 1.5799E+01 -7.8413E-01 -3.0388E+00 H2 54 1.008000 0.423800 1.4449E+01 -7.6416E-02 -2.4517E+00 O6 55 15.999400 -0.847600 -5.3772E+00 -1.1085E+01 -1.6287E+01 H1 56 1.008000 0.423800 -5.1672E+00 -1.0108E+01 -1.6331E+01 H2 57 1.008000 0.423800 -4.8939E+00 -1.1563E+01 -1.7021E+01 O6 58 15.999400 -0.847600 5.6550E+00 -9.4225E+00 -9.2077E+00 H1 59 1.008000 0.423800 5.7078E+00 -9.6444E+00 -1.0181E+01 H2 60 1.008000 0.423800 4.9300E+00 -8.7502E+00 -9.0579E+00 O6 61 15.999400 -0.847600 -1.2469E+01 -1.6022E+01 1.8356E+01 H1 62 1.008000 0.423800 -1.2274E+01 -1.5613E+01 1.9247E+01 H2 63 1.008000 0.423800 -1.2384E+01 -1.5325E+01 1.7644E+01 O6 64 15.999400 -0.847600 3.1337E+00 1.4480E+01 7.6768E+00 H1 65 1.008000 0.423800 2.7491E+00 1.4800E+01 6.8108E+00 H2 66 1.008000 0.423800 2.3955E+00 1.4332E+01 8.3349E+00 O6 67 15.999400 -0.847600 2.5407E+00 1.7469E+01 3.8497E+00 H1 68 1.008000 0.423800 2.3768E+00 1.8444E+01 3.9981E+00 H2 69 1.008000 0.423800 3.5249E+00 1.7292E+01 3.8537E+00 O6 70 15.999400 -0.847600 1.8221E+01 -7.8123E+00 1.3599E+00 H1 71 1.008000 0.423800 1.8609E+01 -8.2435E+00 2.1749E+00 H2 72 1.008000 0.423800 1.8254E+01 -6.8180E+00 1.4614E+00 O6 73 15.999400 -0.847600 -3.1435E+00 -1.3522E+01 2.1407E+00 H1 74 1.008000 0.423800 -3.4363E+00 -1.3336E+01 1.2027E+00 H2 75 1.008000 0.423800 -3.9238E+00 -1.3847E+01 2.6751E+00 O6 76 15.999400 -0.847600 -2.6403E+00 5.9992E+00 -5.1620E+00 H1 77 1.008000 0.423800 -3.4217E+00 6.2463E+00 -4.5890E+00 H2 78 1.008000 0.423800 -2.5845E+00 6.6270E+00 -5.9383E+00 O6 79 15.999400 -0.847600 1.4322E+00 -9.2182E+00 9.6288E+00 H1 80 1.008000 0.423800 6.0501E-01 -9.0234E+00 9.1017E+00 H2 81 1.008000 0.423800 1.4557E+00 -8.6339E+00 1.0440E+01 O6 82 15.999400 -0.847600 -6.3213E+00 -1.4528E+00 3.0003E+00 H1 83 1.008000 0.423800 -6.9165E+00 -2.2536E+00 3.0666E+00 H2 84 1.008000 0.423800 -6.7297E+00 -7.8447E-01 2.3786E+00 O6 85 15.999400 -0.847600 -7.3984E+00 -1.0860E+00 -5.7935E+00 H1 86 1.008000 0.423800 -7.9583E+00 -3.9030E-01 -6.2436E+00 H2 87 1.008000 0.423800 -7.8055E+00 -1.9875E+00 -5.9401E+00 O6 88 15.999400 -0.847600 2.9084E+00 -1.2280E+01 -4.0379E+00 H1 89 1.008000 0.423800 2.1742E+00 -1.2615E+01 -4.6283E+00 H2 90 1.008000 0.423800 2.7456E+00 -1.1318E+01 -3.8167E+00 O6 91 15.999400 -0.847600 -9.1154E+00 1.8885E+01 -1.8416E+01 H1 92 1.008000 0.423800 -9.9771E+00 1.8380E+01 -1.8370E+01 H2 93 1.008000 0.423800 -8.8734E+00 1.9216E+01 -1.7504E+01 O6 94 15.999400 -0.847600 -9.1243E+00 7.8785E+00 -1.7862E+00 H1 95 1.008000 0.423800 -9.7300E+00 7.7210E+00 -2.5663E+00 H2 96 1.008000 0.423800 -8.7683E+00 8.8122E+00 -1.8238E+00 O6 97 15.999400 -0.847600 -1.8373E+01 -1.1508E+00 -1.3403E+01 H1 98 1.008000 0.423800 -1.7745E+01 -1.4195E+00 -1.4132E+01 H2 99 1.008000 0.423800 -1.9191E+01 -1.7257E+00 -1.3438E+01 O6 100 15.999400 -0.847600 5.1653E+00 -1.1093E+01 9.8277E+00 H1 101 1.008000 0.423800 4.7498E+00 -1.1659E+01 1.0540E+01 H2 102 1.008000 0.423800 5.2126E+00 -1.0144E+01 1.0141E+01 O6 103 15.999400 -0.847600 1.9065E+01 9.5797E+00 -6.3987E+00 H1 104 1.008000 0.423800 -1.9305E+01 1.0147E+01 -6.7833E+00 H2 105 1.008000 0.423800 1.8197E+01 9.8064E+00 -6.8405E+00 O6 106 15.999400 -0.847600 -8.7203E+00 4.6843E+00 -1.5549E+01 H1 107 1.008000 0.423800 -9.3935E+00 5.1118E+00 -1.4946E+01 H2 108 1.008000 0.423800 -8.0837E+00 4.1385E+00 -1.5004E+01 O6 109 15.999400 -0.847600 -6.7341E+00 1.8258E+01 3.0959E+00 H1 110 1.008000 0.423800 -7.4644E+00 1.8923E+01 2.9393E+00 H2 111 1.008000 0.423800 -7.1107E+00 1.7333E+01 3.0514E+00 O6 112 15.999400 -0.847600 2.9249E+00 -4.0966E+00 1.2923E+01 H1 113 1.008000 0.423800 3.4955E+00 -3.8719E+00 1.3713E+01 H2 114 1.008000 0.423800 3.4493E+00 -3.9581E+00 1.2083E+01 O6 115 15.999400 -0.847600 1.0910E+01 -6.0319E+00 -1.5824E+01 H1 116 1.008000 0.423800 1.0536E+01 -6.1515E+00 -1.4905E+01 H2 117 1.008000 0.423800 1.1668E+01 -6.6693E+00 -1.5961E+01 O6 118 15.999400 -0.847600 -6.6972E+00 7.6525E-02 6.0408E+00 H1 119 1.008000 0.423800 -6.8435E+00 -4.7255E-01 5.2179E+00 H2 120 1.008000 0.423800 -5.9475E+00 -3.1548E-01 6.5740E+00 O6 121 15.999400 -0.847600 -6.7975E+00 1.1589E+01 -2.7953E+00 H1 122 1.008000 0.423800 -7.4178E+00 1.1238E+01 -3.4971E+00 H2 123 1.008000 0.423800 -6.7594E+00 1.2586E+01 -2.8522E+00 O6 124 15.999400 -0.847600 -4.7394E+00 -1.5569E+01 1.9081E+01 H1 125 1.008000 0.423800 -3.8075E+00 -1.5343E+01 1.9364E+01 H2 126 1.008000 0.423800 -5.1409E+00 -1.6209E+01 -1.9362E+01 O6 127 15.999400 -0.847600 -1.5075E+01 1.9526E+01 -1.8435E+01 H1 128 1.008000 0.423800 -1.4460E+01 -1.9305E+01 -1.9176E+01 H2 129 1.008000 0.423800 -1.5971E+01 1.9291E+01 -1.8813E+01 O6 130 15.999400 -0.847600 1.4887E+01 -1.4200E+01 -4.4939E+00 H1 131 1.008000 0.423800 1.5875E+01 -1.4335E+01 -4.5771E+00 H2 132 1.008000 0.423800 1.4409E+01 -1.4899E+01 -5.0265E+00 O6 133 15.999400 -0.847600 -1.9243E+01 1.3308E+01 7.6125E+00 H1 134 1.008000 0.423800 1.9284E+01 1.2771E+01 6.9920E+00 H2 135 1.008000 0.423800 -1.8370E+01 1.2840E+01 7.7514E+00 O6 136 15.999400 -0.847600 -1.2921E+01 -5.6158E-01 7.5086E+00 H1 137 1.008000 0.423800 -1.3867E+01 -3.4241E-01 7.7469E+00 H2 138 1.008000 0.423800 -1.2312E+01 -2.4447E-01 8.2357E+00 O6 139 15.999400 -0.847600 7.1257E-01 1.8575E+01 -4.8855E+00 H1 140 1.008000 0.423800 3.6561E-01 1.7985E+01 -5.6148E+00 H2 141 1.008000 0.423800 8.9143E-03 1.8686E+01 -4.1837E+00 O6 142 15.999400 -0.847600 1.3070E+01 -1.3473E+01 -1.0158E+01 H1 143 1.008000 0.423800 1.2405E+01 -1.4215E+01 -1.0241E+01 H2 144 1.008000 0.423800 1.2804E+01 -1.2870E+01 -9.4049E+00 O6 145 15.999400 -0.847600 -1.1769E+01 -5.1452E+00 5.1665E+00 H1 146 1.008000 0.423800 -1.2331E+01 -4.4926E+00 5.6751E+00 H2 147 1.008000 0.423800 -1.0835E+01 -5.1305E+00 5.5236E+00 O6 148 15.999400 -0.847600 -4.3879E+00 2.3009E+00 1.2839E-01 H1 149 1.008000 0.423800 -4.6003E+00 1.3242E+00 1.6022E-01 H2 150 1.008000 0.423800 -5.1974E+00 2.8086E+00 -1.6656E-01 O6 151 15.999400 -0.847600 1.8024E+01 -1.4996E+01 -1.1479E+01 H1 152 1.008000 0.423800 1.8234E+01 -1.5685E+01 -1.0786E+01 H2 153 1.008000 0.423800 1.7039E+01 -1.4822E+01 -1.1488E+01 O6 154 15.999400 -0.847600 -1.8762E+01 1.6993E+01 -1.5677E+01 H1 155 1.008000 0.423800 -1.8416E+01 1.7932E+01 -1.5680E+01 H2 156 1.008000 0.423800 -1.7998E+01 1.6357E+01 -1.5573E+01 O6 157 15.999400 -0.847600 1.1130E+01 -9.4298E+00 -1.0110E+00 H1 158 1.008000 0.423800 1.2108E+01 -9.4749E+00 -1.2149E+00 H2 159 1.008000 0.423800 1.0816E+01 -1.0322E+01 -6.8788E-01 O6 160 15.999400 -0.847600 -1.9302E+01 -4.9162E+00 -1.2989E+01 H1 161 1.008000 0.423800 1.9152E+01 -4.2257E+00 -1.3318E+01 H2 162 1.008000 0.423800 -1.9048E+01 -5.5217E+00 -1.3743E+01 O6 163 15.999400 -0.847600 -3.5842E+00 1.5526E+01 -2.7496E-01 H1 164 1.008000 0.423800 -3.1856E+00 1.6311E+01 -7.4924E-01 H2 165 1.008000 0.423800 -2.9151E+00 1.5148E+01 3.6509E-01 O6 166 15.999400 -0.847600 9.3933E-01 1.4710E+01 -1.6328E+01 H1 167 1.008000 0.423800 1.2776E+00 1.4121E+01 -1.7062E+01 H2 168 1.008000 0.423800 1.1534E+00 1.4297E+01 -1.5443E+01 O6 169 15.999400 -0.847600 3.0845E+00 -1.5069E+01 6.8143E+00 H1 170 1.008000 0.423800 2.4178E+00 -1.5621E+01 7.3151E+00 H2 171 1.008000 0.423800 2.6060E+00 -1.4372E+01 6.2805E+00 O6 172 15.999400 -0.847600 -6.7759E+00 9.8456E+00 4.6869E+00 H1 173 1.008000 0.423800 -6.2441E+00 9.0279E+00 4.4668E+00 H2 174 1.008000 0.423800 -6.1550E+00 1.0608E+01 4.8699E+00 O6 175 15.999400 -0.847600 -1.5379E+01 -1.9106E+01 -3.2327E+00 H1 176 1.008000 0.423800 -1.5313E+01 1.9032E+01 -2.9580E+00 H2 177 1.008000 0.423800 -1.4613E+01 -1.8595E+01 -2.8444E+00 O6 178 15.999400 -0.847600 1.7177E+01 1.4902E+01 1.5790E-01 H1 179 1.008000 0.423800 1.6587E+01 1.4699E+01 9.3917E-01 H2 180 1.008000 0.423800 1.7905E+01 1.4218E+01 1.0334E-01 O6 181 15.999400 -0.847600 1.1197E+01 9.4396E+00 -1.0936E+01 H1 182 1.008000 0.423800 1.0463E+01 1.0117E+01 -1.0881E+01 H2 183 1.008000 0.423800 1.2082E+01 9.9013E+00 -1.0876E+01 O6 184 15.999400 -0.847600 -4.7790E+00 8.1326E+00 4.3488E+00 H1 185 1.008000 0.423800 -4.3052E+00 8.2540E+00 5.2211E+00 H2 186 1.008000 0.423800 -4.6809E+00 7.1848E+00 4.0454E+00 O6 187 15.999400 -0.847600 6.1101E+00 -1.3522E+00 1.7156E+01 H1 188 1.008000 0.423800 6.8549E+00 -1.1996E+00 1.7805E+01 H2 189 1.008000 0.423800 5.5872E+00 -2.1588E+00 1.7432E+01 O6 190 15.999400 -0.847600 -5.3908E+00 -7.1627E+00 1.2868E+01 H1 191 1.008000 0.423800 -5.7953E+00 -7.1018E+00 1.3781E+01 H2 192 1.008000 0.423800 -4.8597E+00 -8.0068E+00 1.2795E+01 O6 193 15.999400 -0.847600 -1.2378E+01 -1.9213E+01 1.6490E+01 H1 194 1.008000 0.423800 -1.3043E+01 1.9495E+01 1.5853E+01 H2 195 1.008000 0.423800 -1.1753E+01 1.9167E+01 1.6798E+01 O6 196 15.999400 -0.847600 -1.2244E+00 -1.9074E+01 -3.0011E+00 H1 197 1.008000 0.423800 -1.1711E+00 -1.8081E+01 -2.8954E+00 H2 198 1.008000 0.423800 -5.0854E-01 -1.9507E+01 -2.4530E+00 O6 199 15.999400 -0.847600 -8.8400E+00 -5.4690E+00 -1.2954E+01 H1 200 1.008000 0.423800 -8.7799E+00 -4.7827E+00 -1.2229E+01 H2 201 1.008000 0.423800 -9.6854E+00 -5.9925E+00 -1.2848E+01 O6 202 15.999400 -0.847600 -1.6862E+01 9.2409E+00 -1.0547E+01 H1 203 1.008000 0.423800 -1.7775E+01 8.9781E+00 -1.0860E+01 H2 204 1.008000 0.423800 -1.6824E+01 1.0233E+01 -1.0427E+01 O6 205 15.999400 -0.847600 -1.7945E+01 -5.3477E+00 1.5074E+01 H1 206 1.008000 0.423800 -1.7512E+01 -5.2211E+00 1.4182E+01 H2 207 1.008000 0.423800 -1.8708E+01 -4.7075E+00 1.5167E+01 O6 208 15.999400 -0.847600 1.3837E+01 8.6041E+00 -6.7405E+00 H1 209 1.008000 0.423800 1.4230E+01 9.3984E+00 -6.2777E+00 H2 210 1.008000 0.423800 1.4552E+01 7.9235E+00 -6.9007E+00 O6 211 15.999400 -0.847600 -6.6395E-01 1.6195E+01 1.5201E+00 H1 212 1.008000 0.423800 -8.7799E-01 1.5327E+01 1.9686E+00 H2 213 1.008000 0.423800 -1.3152E+00 1.6893E+01 1.8173E+00 O6 214 15.999400 -0.847600 4.3296E+00 -1.1652E+01 -8.0212E+00 H1 215 1.008000 0.423800 4.8072E+00 -1.0901E+01 -8.4771E+00 H2 216 1.008000 0.423800 4.8289E+00 -1.1912E+01 -7.1945E+00 O6 217 15.999400 -0.847600 -1.9058E+01 -6.7937E+00 -9.0515E+00 H1 218 1.008000 0.423800 -1.8255E+01 -6.2497E+00 -8.8079E+00 H2 219 1.008000 0.423800 -1.9260E+01 -7.4383E+00 -8.3142E+00 O6 220 15.999400 -0.847600 1.1279E+01 -1.3876E+00 6.7749E+00 H1 221 1.008000 0.423800 1.0722E+01 -1.5447E+00 5.9597E+00 H2 222 1.008000 0.423800 1.1539E+01 -4.2290E-01 6.8203E+00 O6 223 15.999400 -0.847600 2.6488E+00 1.3054E+01 1.1383E+01 H1 224 1.008000 0.423800 2.5919E+00 1.3971E+01 1.0991E+01 H2 225 1.008000 0.423800 3.5233E+00 1.2947E+01 1.1857E+01 O6 226 15.999400 -0.847600 -1.3727E+01 1.4051E+01 9.8198E+00 H1 227 1.008000 0.423800 -1.4503E+01 1.4452E+01 9.3323E+00 H2 228 1.008000 0.423800 -1.4038E+01 1.3683E+01 1.0696E+01 O6 229 15.999400 -0.847600 -6.3759E+00 1.5343E+01 -1.1297E+01 H1 230 1.008000 0.423800 -6.8684E+00 1.5429E+01 -1.2163E+01 H2 231 1.008000 0.423800 -5.4036E+00 1.5522E+01 -1.1447E+01 O6 232 15.999400 -0.847600 -3.8596E+00 -1.9873E+00 1.6332E+01 H1 233 1.008000 0.423800 -4.1146E+00 -1.3669E+00 1.5590E+01 H2 234 1.008000 0.423800 -3.8304E+00 -2.9253E+00 1.5986E+01 O6 235 15.999400 -0.847600 1.7519E+01 -1.3902E+01 1.8442E-02 H1 236 1.008000 0.423800 1.6844E+01 -1.3332E+01 4.8615E-01 H2 237 1.008000 0.423800 1.8435E+01 -1.3531E+01 1.7575E-01 O6 238 15.999400 -0.847600 1.0073E+01 -7.3569E+00 1.2350E+01 H1 239 1.008000 0.423800 1.0739E+01 -7.0798E+00 1.1657E+01 H2 240 1.008000 0.423800 1.0469E+01 -7.2346E+00 1.3260E+01 O6 241 15.999400 -0.847600 -1.2525E+01 -6.3923E-01 -1.8831E+01 H1 242 1.008000 0.423800 -1.2884E+01 -7.5388E-01 1.9340E+01 H2 243 1.008000 0.423800 -1.1605E+01 -2.5130E-01 -1.8876E+01 O6 244 15.999400 -0.847600 -1.3349E+01 -1.8637E+01 1.8810E+01 H1 245 1.008000 0.423800 -1.3036E+01 -1.7699E+01 1.8663E+01 H2 246 1.008000 0.423800 -1.3108E+01 -1.9196E+01 1.8016E+01 O6 247 15.999400 -0.847600 -3.5125E+00 -1.6184E+01 -9.1433E-01 H1 248 1.008000 0.423800 -4.2279E+00 -1.6610E+01 -1.4684E+00 H2 249 1.008000 0.423800 -2.6158E+00 -1.6423E+01 -1.2871E+00 O6 250 15.999400 -0.847600 -3.7406E+00 8.9740E+00 -1.6871E+01 H1 251 1.008000 0.423800 -3.1536E+00 8.5814E+00 -1.6163E+01 H2 252 1.008000 0.423800 -4.1655E+00 8.2377E+00 -1.7398E+01 O6 253 15.999400 -0.847600 1.7710E+00 6.1482E-01 -1.1924E+01 H1 254 1.008000 0.423800 1.9577E+00 -3.6756E-01 -1.1915E+01 H2 255 1.008000 0.423800 1.8153E+00 9.7163E-01 -1.0991E+01 O6 256 15.999400 -0.847600 6.3319E+00 1.4735E+01 1.0266E+01 H1 257 1.008000 0.423800 6.3175E+00 1.4773E+01 9.2668E+00 H2 258 1.008000 0.423800 5.9164E+00 1.3879E+01 1.0573E+01 O6 259 15.999400 -0.847600 -7.6669E+00 1.5565E+01 2.3690E+00 H1 260 1.008000 0.423800 -6.9442E+00 1.5686E+01 1.6885E+00 H2 261 1.008000 0.423800 -7.9405E+00 1.4603E+01 2.3971E+00 O6 262 15.999400 -0.847600 2.7888E+00 2.6734E+00 -1.5828E+00 H1 263 1.008000 0.423800 3.2346E+00 3.4944E+00 -1.9397E+00 H2 264 1.008000 0.423800 1.9102E+00 2.9219E+00 -1.1751E+00 O6 265 15.999400 -0.847600 1.2010E+01 4.7924E+00 -1.2573E+01 H1 266 1.008000 0.423800 1.2027E+01 4.0610E+00 -1.1891E+01 H2 267 1.008000 0.423800 1.1866E+01 4.3983E+00 -1.3481E+01 O6 268 15.999400 -0.847600 -2.0257E+00 -3.8735E+00 4.7360E+00 H1 269 1.008000 0.423800 -2.6287E+00 -3.6486E+00 5.5015E+00 H2 270 1.008000 0.423800 -2.3940E+00 -3.4785E+00 3.8945E+00 O6 271 15.999400 -0.847600 6.9622E+00 -1.0394E-01 -9.5509E+00 H1 272 1.008000 0.423800 6.7480E+00 -1.0277E+00 -9.8684E+00 H2 273 1.008000 0.423800 6.1457E+00 3.0675E-01 -9.1453E+00 O6 274 15.999400 -0.847600 2.8784E+00 -1.3928E+01 -7.1759E+00 H1 275 1.008000 0.423800 3.1607E+00 -1.4848E+01 -6.9045E+00 H2 276 1.008000 0.423800 3.5772E+00 -1.3526E+01 -7.7677E+00 O6 277 15.999400 -0.847600 -5.5917E+00 6.6456E+00 -1.5294E+01 H1 278 1.008000 0.423800 -4.6297E+00 6.4838E+00 -1.5074E+01 H2 279 1.008000 0.423800 -5.8986E+00 5.9695E+00 -1.5963E+01 O6 280 15.999400 -0.847600 1.1649E+00 2.6882E+00 8.3148E+00 H1 281 1.008000 0.423800 2.7210E-01 2.2696E+00 8.1484E+00 H2 282 1.008000 0.423800 1.3700E+00 2.6580E+00 9.2931E+00 O6 283 15.999400 -0.847600 7.1035E-01 -4.6149E+00 1.1345E+01 H1 284 1.008000 0.423800 1.4908E+00 -4.3248E+00 1.1898E+01 H2 285 1.008000 0.423800 -1.3496E-01 -4.4733E+00 1.1860E+01 O6 286 15.999400 -0.847600 -4.5809E+00 -9.9615E+00 1.6798E+01 H1 287 1.008000 0.423800 -4.9904E+00 -1.0823E+01 1.7098E+01 H2 288 1.008000 0.423800 -3.6159E+00 -1.0109E+01 1.6581E+01 O6 289 15.999400 -0.847600 -1.5867E+00 -1.2455E+01 -9.4234E+00 H1 290 1.008000 0.423800 -6.5395E-01 -1.2352E+01 -9.0779E+00 H2 291 1.008000 0.423800 -1.6063E+00 -1.3171E+01 -1.0122E+01 O6 292 15.999400 -0.847600 -3.5975E+00 -5.9907E+00 1.2570E+00 H1 293 1.008000 0.423800 -2.8325E+00 -6.4196E+00 1.7375E+00 H2 294 1.008000 0.423800 -3.4744E+00 -6.0991E+00 2.7057E-01 O6 295 15.999400 -0.847600 1.3976E+01 1.5038E+01 2.7017E+00 H1 296 1.008000 0.423800 1.4965E+01 1.4940E+01 2.8103E+00 H2 297 1.008000 0.423800 1.3508E+01 1.4423E+01 3.3366E+00 O6 298 15.999400 -0.847600 6.8957E+00 -1.4129E+01 -8.3214E+00 H1 299 1.008000 0.423800 6.8952E+00 -1.3629E+01 -7.4550E+00 H2 300 1.008000 0.423800 7.8382E+00 -1.4321E+01 -8.5946E+00 O6 301 15.999400 -0.847600 9.3343E+00 -8.5281E+00 1.7216E+01 H1 302 1.008000 0.423800 1.0231E+01 -8.5927E+00 1.7653E+01 H2 303 1.008000 0.423800 9.1865E+00 -9.3308E+00 1.6638E+01 O6 304 15.999400 -0.847600 8.7878E+00 -8.6328E+00 3.6487E+00 H1 305 1.008000 0.423800 9.1976E+00 -9.5388E+00 3.5428E+00 H2 306 1.008000 0.423800 7.9790E+00 -8.5625E+00 3.0649E+00 O6 307 15.999400 -0.847600 -2.9966E+00 -1.1948E+01 -1.7512E+01 H1 308 1.008000 0.423800 -2.8730E+00 -1.1290E+01 -1.8255E+01 H2 309 1.008000 0.423800 -2.1025E+00 -1.2228E+01 -1.7163E+01 O6 310 15.999400 -0.847600 9.7939E+00 -1.1389E+01 -5.0093E+00 H1 311 1.008000 0.423800 9.7521E+00 -1.1081E+01 -5.9598E+00 H2 312 1.008000 0.423800 9.9462E+00 -1.0603E+01 -4.4105E+00 O6 313 15.999400 -0.847600 -1.3301E+01 -7.2080E+00 2.4663E+00 H1 314 1.008000 0.423800 -1.3801E+01 -6.4532E+00 2.0417E+00 H2 315 1.008000 0.423800 -1.3833E+01 -8.0505E+00 2.3798E+00 O6 316 15.999400 -0.847600 -8.8342E+00 1.8949E+01 -4.1175E+00 H1 317 1.008000 0.423800 -7.8490E+00 1.8812E+01 -4.0131E+00 H2 318 1.008000 0.423800 -9.0014E+00 -1.9305E+01 -4.6279E+00 O6 319 15.999400 -0.847600 1.3448E+01 1.7149E+00 -1.3762E+01 H1 320 1.008000 0.423800 1.2937E+01 2.1646E+00 -1.3029E+01 H2 321 1.008000 0.423800 1.4231E+01 2.2816E+00 -1.4019E+01 O6 322 15.999400 -0.847600 1.6163E+01 1.0413E+01 -1.0569E+01 H1 323 1.008000 0.423800 1.5824E+01 9.8581E+00 -1.1329E+01 H2 324 1.008000 0.423800 1.7089E+01 1.0731E+01 -1.0775E+01 O6 325 15.999400 -0.847600 1.5103E+01 -5.1767E+00 -1.5893E+01 H1 326 1.008000 0.423800 1.4514E+01 -5.8590E+00 -1.5459E+01 H2 327 1.008000 0.423800 1.4548E+01 -4.4013E+00 -1.6194E+01 O6 328 15.999400 -0.847600 1.1312E+00 1.4614E+01 -5.1878E+00 H1 329 1.008000 0.423800 1.5045E+00 1.5455E+01 -5.5782E+00 H2 330 1.008000 0.423800 1.8264E+00 1.3896E+01 -5.2172E+00 O6 331 15.999400 -0.847600 1.5172E+01 -5.2466E-02 -9.8750E+00 H1 332 1.008000 0.423800 1.5799E+01 -1.8246E-01 -1.0643E+01 H2 333 1.008000 0.423800 1.4238E+01 3.9596E-02 -1.0219E+01 O6 334 15.999400 -0.847600 -1.6311E+01 1.9492E+01 -1.2247E+01 H1 335 1.008000 0.423800 -1.7184E+01 1.9523E+01 -1.2734E+01 H2 336 1.008000 0.423800 -1.5865E+01 -1.8713E+01 -1.2307E+01 O6 337 15.999400 -0.847600 -1.2181E+00 -1.9077E+00 -1.4903E+01 H1 338 1.008000 0.423800 -5.7765E-01 -1.2292E+00 -1.4544E+01 H2 339 1.008000 0.423800 -2.1183E+00 -1.7679E+00 -1.4491E+01 O6 340 15.999400 -0.847600 5.3816E+00 -4.1311E+00 -1.2571E+01 H1 341 1.008000 0.423800 5.3896E+00 -4.4921E+00 -1.1638E+01 H2 342 1.008000 0.423800 6.2085E+00 -3.5906E+00 -1.2726E+01 O6 343 15.999400 -0.847600 -3.6156E-02 1.2081E+01 -3.9059E+00 H1 344 1.008000 0.423800 -1.6341E-01 1.2927E+01 -3.3878E+00 H2 345 1.008000 0.423800 8.0786E-01 1.1633E+01 -3.6109E+00 O6 346 15.999400 -0.847600 1.6757E+01 -4.9899E+00 -3.7656E+00 H1 347 1.008000 0.423800 1.6470E+01 -5.7289E+00 -3.1560E+00 H2 348 1.008000 0.423800 1.7713E+01 -5.1263E+00 -4.0277E+00 O6 349 15.999400 -0.847600 1.2277E+00 -1.0278E+01 1.6422E+01 H1 350 1.008000 0.423800 1.9486E+00 -1.0954E+01 1.6271E+01 H2 351 1.008000 0.423800 1.6408E+00 -9.3840E+00 1.6596E+01 O6 352 15.999400 -0.847600 1.5965E+01 -7.3959E+00 -1.0311E+01 H1 353 1.008000 0.423800 1.6459E+01 -6.5978E+00 -1.0657E+01 H2 354 1.008000 0.423800 1.6013E+01 -7.4115E+00 -9.3127E+00 O6 355 15.999400 -0.847600 -1.9232E+01 -9.9573E+00 -1.5151E+01 H1 356 1.008000 0.423800 -1.8403E+01 -9.5518E+00 -1.5537E+01 H2 357 1.008000 0.423800 1.9249E+01 -1.0223E+01 -1.5892E+01 O6 358 15.999400 -0.847600 -5.3167E+00 1.2514E+01 8.3491E+00 H1 359 1.008000 0.423800 -5.5064E+00 1.3349E+01 7.8329E+00 H2 360 1.008000 0.423800 -4.6209E+00 1.2702E+01 9.0424E+00 O6 361 15.999400 -0.847600 -1.4071E+01 -4.8704E+00 7.3535E-01 H1 362 1.008000 0.423800 -1.3601E+01 -4.0098E+00 9.3176E-01 H2 363 1.008000 0.423800 -1.4115E+01 -5.0076E+00 -2.5419E-01 O6 364 15.999400 -0.847600 8.4215E+00 9.6979E+00 -8.3568E+00 H1 365 1.008000 0.423800 9.2936E+00 9.3847E+00 -8.7329E+00 H2 366 1.008000 0.423800 8.0649E+00 9.0100E+00 -7.7246E+00 O6 367 15.999400 -0.847600 3.1303E+00 -2.4741E+00 -1.1156E+01 H1 368 1.008000 0.423800 2.7692E+00 -3.4056E+00 -1.1112E+01 H2 369 1.008000 0.423800 3.7900E+00 -2.4080E+00 -1.1905E+01 O6 370 15.999400 -0.847600 1.9044E+01 1.6075E+01 -7.7792E+00 H1 371 1.008000 0.423800 1.8150E+01 1.6156E+01 -7.3375E+00 H2 372 1.008000 0.423800 -1.9333E+01 1.6174E+01 -7.0936E+00 O6 373 15.999400 -0.847600 1.3554E+01 -7.1596E+00 -1.4634E+01 H1 374 1.008000 0.423800 1.4027E+01 -7.6599E+00 -1.5359E+01 H2 375 1.008000 0.423800 1.3585E+01 -7.6903E+00 -1.3787E+01 O6 376 15.999400 -0.847600 -1.4311E+01 1.7511E+01 -1.6960E+01 H1 377 1.008000 0.423800 -1.4603E+01 1.8258E+01 -1.7557E+01 H2 378 1.008000 0.423800 -1.4469E+01 1.7766E+01 -1.6006E+01 O6 379 15.999400 -0.847600 -1.1732E+01 1.0555E+00 1.7739E+01 H1 380 1.008000 0.423800 -1.2581E+01 5.2928E-01 1.7686E+01 H2 381 1.008000 0.423800 -1.1930E+01 1.9730E+00 1.8084E+01 O6 382 15.999400 -0.847600 5.1146E+00 3.9691E+00 -1.6116E+01 H1 383 1.008000 0.423800 4.9879E+00 4.1402E+00 -1.5139E+01 H2 384 1.008000 0.423800 4.5555E+00 3.1876E+00 -1.6393E+01 O6 385 15.999400 -0.847600 3.6413E+00 -1.8350E+01 -1.8434E+01 H1 386 1.008000 0.423800 3.4630E+00 -1.7367E+01 -1.8494E+01 H2 387 1.008000 0.423800 2.9388E+00 -1.8847E+01 -1.8944E+01 O6 388 15.999400 -0.847600 -8.7058E+00 1.0429E+01 1.1236E+01 H1 389 1.008000 0.423800 -7.9639E+00 1.0519E+01 1.1901E+01 H2 390 1.008000 0.423800 -8.5570E+00 1.1068E+01 1.0482E+01 O6 391 15.999400 -0.847600 -3.8454E+00 2.8343E+00 -6.6425E+00 H1 392 1.008000 0.423800 -4.3645E+00 3.6186E+00 -6.3025E+00 H2 393 1.008000 0.423800 -3.9248E+00 2.0762E+00 -5.9952E+00 O6 394 15.999400 -0.847600 -9.6038E+00 -9.4050E+00 -1.7004E+01 H1 395 1.008000 0.423800 -1.0169E+01 -1.0004E+01 -1.6437E+01 H2 396 1.008000 0.423800 -9.6245E+00 -8.4772E+00 -1.6632E+01 O6 397 15.999400 -0.847600 1.4866E+01 -1.3486E+01 1.1266E+01 H1 398 1.008000 0.423800 1.5641E+01 -1.3911E+01 1.0797E+01 H2 399 1.008000 0.423800 1.4953E+01 -1.2491E+01 1.1218E+01 O6 400 15.999400 -0.847600 7.8263E+00 2.0053E+00 -2.1541E+00 H1 401 1.008000 0.423800 7.9797E+00 2.5811E+00 -2.9572E+00 H2 402 1.008000 0.423800 8.5792E+00 2.1281E+00 -1.5074E+00 O6 403 15.999400 -0.847600 1.5111E+00 1.6949E+01 -9.1015E+00 H1 404 1.008000 0.423800 1.8527E+00 1.6731E+01 -8.1872E+00 H2 405 1.008000 0.423800 5.2129E-01 1.7086E+01 -9.0637E+00 O6 406 15.999400 -0.847600 6.1097E+00 -1.3644E+01 3.9403E+00 H1 407 1.008000 0.423800 5.5474E+00 -1.4362E+01 4.3506E+00 H2 408 1.008000 0.423800 6.8214E+00 -1.3368E+01 4.5863E+00 O6 409 15.999400 -0.847600 -1.3761E+01 1.4988E+01 4.5549E+00 H1 410 1.008000 0.423800 -1.2784E+01 1.5200E+01 4.5751E+00 H2 411 1.008000 0.423800 -1.4251E+01 1.5721E+01 4.0842E+00 O6 412 15.999400 -0.847600 -1.5937E+01 -9.8727E+00 -1.8628E+01 H1 413 1.008000 0.423800 -1.6912E+01 -1.0007E+01 -1.8804E+01 H2 414 1.008000 0.423800 -1.5445E+01 -1.0724E+01 -1.8812E+01 O6 415 15.999400 -0.847600 -1.3539E+01 3.7107E+00 8.7756E-01 H1 416 1.008000 0.423800 -1.4001E+01 3.4112E+00 4.3003E-02 H2 417 1.008000 0.423800 -1.4214E+01 4.0721E+00 1.5210E+00 O6 418 15.999400 -0.847600 -1.1030E+01 -5.4884E+00 1.5088E+01 H1 419 1.008000 0.423800 -1.1620E+01 -4.9064E+00 1.5648E+01 H2 420 1.008000 0.423800 -1.1356E+01 -6.4328E+00 1.5132E+01 O6 421 15.999400 -0.847600 4.5002E+00 1.9385E+01 -1.2649E+01 H1 422 1.008000 0.423800 3.6935E+00 1.9034E+01 -1.2174E+01 H2 423 1.008000 0.423800 4.6654E+00 1.8841E+01 -1.3472E+01 O6 424 15.999400 -0.847600 -5.0441E+00 -1.2197E+01 5.5693E+00 H1 425 1.008000 0.423800 -4.8063E+00 -1.1229E+01 5.4825E+00 H2 426 1.008000 0.423800 -5.0703E+00 -1.2616E+01 4.6619E+00 O6 427 15.999400 -0.847600 1.8011E+01 -1.9484E+01 -9.2825E+00 H1 428 1.008000 0.423800 1.8306E+01 -1.9512E+01 -8.3271E+00 H2 429 1.008000 0.423800 1.8555E+01 1.8967E+01 -9.8178E+00 O6 430 15.999400 -0.847600 3.9508E+00 4.5810E+00 -5.3870E+00 H1 431 1.008000 0.423800 4.3291E+00 4.3617E+00 -4.4876E+00 H2 432 1.008000 0.423800 3.0262E+00 4.9465E+00 -5.2795E+00 O6 433 15.999400 -0.847600 1.5742E+01 2.2063E+00 -8.4882E+00 H1 434 1.008000 0.423800 1.5769E+01 1.2522E+00 -8.7865E+00 H2 435 1.008000 0.423800 1.5149E+01 2.7299E+00 -9.0996E+00 O6 436 15.999400 -0.847600 -2.4658E+00 -7.8683E+00 1.4837E+01 H1 437 1.008000 0.423800 -2.9228E+00 -8.6551E+00 1.4422E+01 H2 438 1.008000 0.423800 -2.0485E+00 -7.3093E+00 1.4121E+01 O6 439 15.999400 -0.847600 8.0326E+00 -5.5005E+00 1.2298E+01 H1 440 1.008000 0.423800 8.8367E+00 -6.0912E+00 1.2231E+01 H2 441 1.008000 0.423800 7.5253E+00 -5.7214E+00 1.3131E+01 O6 442 15.999400 -0.847600 1.5791E+01 8.1944E+00 -1.8680E+01 H1 443 1.008000 0.423800 1.5325E+01 8.7686E+00 -1.8007E+01 H2 444 1.008000 0.423800 1.6124E+01 8.7648E+00 -1.9431E+01 O6 445 15.999400 -0.847600 -8.6215E+00 6.6491E+00 4.2965E+00 H1 446 1.008000 0.423800 -8.1736E+00 6.8209E+00 5.1740E+00 H2 447 1.008000 0.423800 -7.9439E+00 6.3321E+00 3.6329E+00 O6 448 15.999400 -0.847600 1.9317E+01 -1.7828E+01 9.6227E+00 H1 449 1.008000 0.423800 -1.9281E+01 -1.7060E+01 9.2210E+00 H2 450 1.008000 0.423800 1.8353E+01 -1.7771E+01 9.3620E+00 O6 451 15.999400 -0.847600 5.2344E+00 -8.4195E+00 1.5509E+01 H1 452 1.008000 0.423800 4.7275E+00 -8.4649E+00 1.4648E+01 H2 453 1.008000 0.423800 5.8921E+00 -9.1717E+00 1.5549E+01 O6 454 15.999400 -0.847600 -7.3353E+00 1.0528E+01 -8.8823E+00 H1 455 1.008000 0.423800 -7.6047E+00 1.1480E+01 -9.0279E+00 H2 456 1.008000 0.423800 -6.3622E+00 1.0488E+01 -8.6552E+00 O6 457 15.999400 -0.847600 -4.2369E+00 -1.4195E+01 -1.6659E+01 H1 458 1.008000 0.423800 -5.1950E+00 -1.4295E+01 -1.6928E+01 H2 459 1.008000 0.423800 -3.8545E+00 -1.3376E+01 -1.7088E+01 O6 460 15.999400 -0.847600 2.3665E+00 1.5298E+01 1.0104E+01 H1 461 1.008000 0.423800 3.2400E+00 1.5771E+01 9.9890E+00 H2 462 1.008000 0.423800 1.7237E+00 1.5897E+01 1.0582E+01 O6 463 15.999400 -0.847600 -1.5740E+01 -1.8598E+01 1.5765E+01 H1 464 1.008000 0.423800 -1.6160E+01 -1.9505E+01 1.5730E+01 H2 465 1.008000 0.423800 -1.5665E+01 -1.8230E+01 1.4838E+01 O6 466 15.999400 -0.847600 1.6014E+01 9.1649E-01 2.3999E+00 H1 467 1.008000 0.423800 1.6409E+01 1.0215E+00 3.3126E+00 H2 468 1.008000 0.423800 1.5548E+01 1.7620E+00 2.1392E+00 O6 469 15.999400 -0.847600 -1.6838E+01 -1.5049E+01 1.6730E+00 H1 470 1.008000 0.423800 -1.7344E+01 -1.5888E+01 1.4744E+00 H2 471 1.008000 0.423800 -1.7181E+01 -1.4645E+01 2.5208E+00 O6 472 15.999400 -0.847600 -1.8623E+01 -8.5725E+00 -1.1502E+01 H1 473 1.008000 0.423800 1.9519E+01 -8.5377E+00 -1.1794E+01 H2 474 1.008000 0.423800 -1.8533E+01 -8.1441E+00 -1.0603E+01 O6 475 15.999400 -0.847600 -2.9389E+00 1.3075E+01 -1.3525E+01 H1 476 1.008000 0.423800 -2.9543E+00 1.3492E+01 -1.2616E+01 H2 477 1.008000 0.423800 -3.0653E+00 1.3784E+01 -1.4219E+01 O6 478 15.999400 -0.847600 1.4596E+01 -7.7684E+00 1.4174E+01 H1 479 1.008000 0.423800 1.4476E+01 -7.0661E+00 1.4876E+01 H2 480 1.008000 0.423800 1.5302E+01 -7.4771E+00 1.3529E+01 O6 481 15.999400 -0.847600 -1.4106E+01 1.5408E+01 -7.1344E-01 H1 482 1.008000 0.423800 -1.5007E+01 1.5105E+01 -1.0227E+00 H2 483 1.008000 0.423800 -1.3676E+01 1.4681E+01 -1.7800E-01 O6 484 15.999400 -0.847600 6.4995E+00 5.6525E+00 -1.0966E+01 H1 485 1.008000 0.423800 6.6754E+00 5.0083E+00 -1.0221E+01 H2 486 1.008000 0.423800 5.5691E+00 5.5206E+00 -1.1308E+01 O6 487 15.999400 -0.847600 8.1948E-01 -5.4793E+00 1.7604E+01 H1 488 1.008000 0.423800 1.3856E+00 -6.0198E+00 1.6982E+01 H2 489 1.008000 0.423800 1.4028E+00 -4.8689E+00 1.8140E+01 O6 490 15.999400 -0.847600 -1.0464E+01 1.8582E+01 -1.0856E+01 H1 491 1.008000 0.423800 -1.1054E+01 1.7866E+01 -1.1229E+01 H2 492 1.008000 0.423800 -1.0944E+01 1.9059E+01 -1.0120E+01 O6 493 15.999400 -0.847600 -1.5906E+01 -8.7714E+00 -1.1683E+01 H1 494 1.008000 0.423800 -1.5632E+01 -9.6648E+00 -1.1327E+01 H2 495 1.008000 0.423800 -1.6863E+01 -8.5986E+00 -1.1448E+01 O6 496 15.999400 -0.847600 -9.3645E+00 -1.0404E+01 -8.9706E+00 H1 497 1.008000 0.423800 -8.9125E+00 -1.1213E+01 -9.3460E+00 H2 498 1.008000 0.423800 -9.9220E+00 -1.0669E+01 -8.1837E+00 O6 499 15.999400 -0.847600 -8.2854E+00 -1.8160E+01 -1.4689E+01 H1 500 1.008000 0.423800 -7.5804E+00 -1.8132E+01 -1.5397E+01 H2 501 1.008000 0.423800 -8.1197E+00 -1.7431E+01 -1.4025E+01 O6 502 15.999400 -0.847600 -1.6561E+01 1.4952E+01 -7.8647E+00 H1 503 1.008000 0.423800 -1.7220E+01 1.5539E+01 -7.3950E+00 H2 504 1.008000 0.423800 -1.6947E+01 1.4647E+01 -8.7350E+00 O6 505 15.999400 -0.847600 -6.7264E+00 -5.3688E+00 2.5200E-01 H1 506 1.008000 0.423800 -6.9384E+00 -4.6353E+00 8.9782E-01 H2 507 1.008000 0.423800 -5.9194E+00 -5.1189E+00 -2.8301E-01 O6 508 15.999400 -0.847600 1.5173E+01 6.1614E+00 -6.4702E+00 H1 509 1.008000 0.423800 1.5801E+01 5.9653E+00 -7.2237E+00 H2 510 1.008000 0.423800 1.4275E+01 5.7704E+00 -6.6739E+00 O6 511 15.999400 -0.847600 -3.8131E-01 -1.1264E+01 -1.4608E+01 H1 512 1.008000 0.423800 -4.9907E-01 -1.1463E+01 -1.3635E+01 H2 513 1.008000 0.423800 -4.6376E-01 -1.2112E+01 -1.5133E+01 O6 514 15.999400 -0.847600 1.3687E+01 8.9885E+00 -2.6634E-01 H1 515 1.008000 0.423800 1.2962E+01 8.9192E+00 -9.5092E-01 H2 516 1.008000 0.423800 1.4564E+01 8.7530E+00 -6.8525E-01 O6 517 15.999400 -0.847600 3.1903E+00 -1.5363E+01 1.1044E+01 H1 518 1.008000 0.423800 2.4480E+00 -1.4901E+01 1.0559E+01 H2 519 1.008000 0.423800 2.8181E+00 -1.5857E+01 1.1830E+01 O6 520 15.999400 -0.847600 8.6520E-01 1.2877E+01 -1.1688E+01 H1 521 1.008000 0.423800 1.7837E+00 1.2979E+01 -1.1306E+01 H2 522 1.008000 0.423800 2.0504E-01 1.3341E+01 -1.1097E+01 O6 523 15.999400 -0.847600 -1.2869E+01 1.7418E+01 1.4932E+01 H1 524 1.008000 0.423800 -1.2100E+01 1.7393E+01 1.4294E+01 H2 525 1.008000 0.423800 -1.3726E+01 1.7322E+01 1.4426E+01 O6 526 15.999400 -0.847600 1.1138E-01 -1.1489E+01 -1.9413E+01 H1 527 1.008000 0.423800 -1.3611E-01 -1.1582E+01 1.8720E+01 H2 528 1.008000 0.423800 1.0842E+00 -1.1270E+01 -1.9338E+01 O6 529 15.999400 -0.847600 -6.4073E+00 -1.6029E+01 4.7133E-01 H1 530 1.008000 0.423800 -6.4651E+00 -1.6457E+01 -4.3092E-01 H2 531 1.008000 0.423800 -5.5372E+00 -1.6272E+01 9.0006E-01 O6 532 15.999400 -0.847600 -1.3263E+00 -5.2291E+00 -6.8143E+00 H1 533 1.008000 0.423800 -1.8953E+00 -4.4123E+00 -6.7191E+00 H2 534 1.008000 0.423800 -1.7113E+00 -5.9695E+00 -6.2634E+00 O6 535 15.999400 -0.847600 -1.6679E+01 6.0590E+00 1.6005E+01 H1 536 1.008000 0.423800 -1.6316E+01 6.8489E+00 1.6500E+01 H2 537 1.008000 0.423800 -1.5935E+01 5.6020E+00 1.5517E+01 O6 538 15.999400 -0.847600 9.4750E-02 -5.4394E+00 4.0833E+00 H1 539 1.008000 0.423800 8.1212E-01 -4.7519E+00 3.9706E+00 H2 540 1.008000 0.423800 -7.8765E-01 -4.9840E+00 4.2016E+00 O6 541 15.999400 -0.847600 1.7696E+01 -8.8397E+00 1.6474E+01 H1 542 1.008000 0.423800 1.7591E+01 -9.3340E+00 1.5611E+01 H2 543 1.008000 0.423800 1.7777E+01 -9.4946E+00 1.7225E+01 O6 544 15.999400 -0.847600 -1.4699E+01 -8.2608E+00 -4.3035E+00 H1 545 1.008000 0.423800 -1.4399E+01 -7.3312E+00 -4.0898E+00 H2 546 1.008000 0.423800 -1.4785E+01 -8.3638E+00 -5.2944E+00 O6 547 15.999400 -0.847600 -1.3739E+01 2.9358E-01 -6.7371E+00 H1 548 1.008000 0.423800 -1.3139E+01 3.4528E-02 -5.9803E+00 H2 549 1.008000 0.423800 -1.3352E+01 -3.7344E-02 -7.5977E+00 O6 550 15.999400 -0.847600 -4.7693E-02 4.8004E-01 -1.0380E+00 H1 551 1.008000 0.423800 -1.5197E-01 -4.9030E-01 -8.1984E-01 H2 552 1.008000 0.423800 4.7551E-01 9.2999E-01 -3.1431E-01 O6 553 15.999400 -0.847600 1.3489E+01 1.9132E+01 4.5857E+00 H1 554 1.008000 0.423800 1.4139E+01 1.8544E+01 5.0680E+00 H2 555 1.008000 0.423800 1.2784E+01 1.9442E+01 5.2231E+00 O6 556 15.999400 -0.847600 1.5124E+01 4.6601E+00 1.0919E+01 H1 557 1.008000 0.423800 1.5610E+01 5.5189E+00 1.0757E+01 H2 558 1.008000 0.423800 1.4958E+01 4.2020E+00 1.0045E+01 O6 559 15.999400 -0.847600 -6.5841E+00 -1.4029E+01 6.4942E+00 H1 560 1.008000 0.423800 -6.1258E+00 -1.4562E+01 7.2052E+00 H2 561 1.008000 0.423800 -5.9564E+00 -1.3335E+01 6.1414E+00 O6 562 15.999400 -0.847600 -1.0623E+01 -2.9805E-01 4.6169E+00 H1 563 1.008000 0.423800 -1.0639E+01 -8.2900E-01 3.7696E+00 H2 564 1.008000 0.423800 -9.9298E+00 4.1903E-01 4.5481E+00 O6 565 15.999400 -0.847600 -1.5590E+01 1.2775E+01 1.5684E+01 H1 566 1.008000 0.423800 -1.6099E+01 1.2895E+01 1.6536E+01 H2 567 1.008000 0.423800 -1.4731E+01 1.3285E+01 1.5733E+01 O6 568 15.999400 -0.847600 3.0358E+00 -4.3409E+00 -1.7114E+01 H1 569 1.008000 0.423800 3.9523E+00 -4.6541E+00 -1.6865E+01 H2 570 1.008000 0.423800 2.7181E+00 -3.6725E+00 -1.6441E+01 O6 571 15.999400 -0.847600 -1.5426E+01 -1.6723E+01 4.1072E+00 H1 572 1.008000 0.423800 -1.4699E+01 -1.7005E+01 4.7327E+00 H2 573 1.008000 0.423800 -1.5577E+01 -1.5738E+01 4.1943E+00 O6 574 15.999400 -0.847600 1.2543E+01 1.2424E+01 1.4708E+01 H1 575 1.008000 0.423800 1.2982E+01 1.2137E+01 1.3857E+01 H2 576 1.008000 0.423800 1.1775E+01 1.3030E+01 1.4498E+01 O6 577 15.999400 -0.847600 1.3435E+01 -3.2826E+00 7.2404E+00 H1 578 1.008000 0.423800 1.2637E+01 -2.7712E+00 7.5611E+00 H2 579 1.008000 0.423800 1.3872E+01 -2.7836E+00 6.4921E+00 O6 580 15.999400 -0.847600 -1.6609E+01 -1.1933E+01 5.7612E+00 H1 581 1.008000 0.423800 -1.6977E+01 -1.1683E+01 6.6569E+00 H2 582 1.008000 0.423800 -1.6639E+01 -1.1138E+01 5.1553E+00 O6 583 15.999400 -0.847600 1.4196E+01 -5.2112E+00 2.9784E+00 H1 584 1.008000 0.423800 1.3246E+01 -5.4551E+00 2.7844E+00 H2 585 1.008000 0.423800 1.4673E+01 -5.0203E+00 2.1205E+00 O6 586 15.999400 -0.847600 -1.0734E+01 -5.5671E+00 -6.9791E+00 H1 587 1.008000 0.423800 -1.0544E+01 -5.6198E+00 -7.9595E+00 H2 588 1.008000 0.423800 -1.0975E+01 -6.4753E+00 -6.6371E+00 O6 589 15.999400 -0.847600 -1.5568E+01 -2.0433E+00 1.4615E+01 H1 590 1.008000 0.423800 -1.5721E+01 -2.1776E+00 1.5594E+01 H2 591 1.008000 0.423800 -1.5324E+01 -1.0888E+00 1.4443E+01 O6 592 15.999400 -0.847600 -1.1087E+01 1.0904E+01 9.9362E+00 H1 593 1.008000 0.423800 -1.0311E+01 1.1045E+01 1.0551E+01 H2 594 1.008000 0.423800 -1.1246E+01 1.1734E+01 9.4029E+00 O6 595 15.999400 -0.847600 2.3218E+00 -1.1589E+00 -8.9884E+00 H1 596 1.008000 0.423800 2.5580E+00 -1.5512E+00 -9.8773E+00 H2 597 1.008000 0.423800 2.6944E+00 -1.7344E+00 -8.2604E+00 O6 598 15.999400 -0.847600 5.6003E+00 -1.7309E+01 -1.1898E+01 H1 599 1.008000 0.423800 5.0491E+00 -1.8142E+01 -1.1951E+01 H2 600 1.008000 0.423800 5.5010E+00 -1.6902E+01 -1.0990E+01 O6 601 15.999400 -0.847600 -1.5844E+01 1.5648E+01 8.5855E+00 H1 602 1.008000 0.423800 -1.6175E+01 1.5159E+01 7.7782E+00 H2 603 1.008000 0.423800 -1.6187E+01 1.6587E+01 8.5713E+00 O6 604 15.999400 -0.847600 9.9748E+00 -8.3294E-01 -1.6752E+01 H1 605 1.008000 0.423800 1.0454E+01 -1.6186E-01 -1.6186E+01 H2 606 1.008000 0.423800 1.0276E+01 -1.7537E+00 -1.6503E+01 O6 607 15.999400 -0.847600 5.7000E+00 1.8804E+01 1.8043E+01 H1 608 1.008000 0.423800 6.3401E+00 1.8557E+01 1.7315E+01 H2 609 1.008000 0.423800 5.5748E+00 1.8024E+01 1.8656E+01 O6 610 15.999400 -0.847600 1.4244E+01 -3.2227E+00 -1.7626E+01 H1 611 1.008000 0.423800 1.4967E+01 -3.0902E+00 -1.8304E+01 H2 612 1.008000 0.423800 1.3360E+01 -3.2874E+00 -1.8090E+01 O6 613 15.999400 -0.847600 -6.0809E+00 1.4462E+01 -5.1582E+00 H1 614 1.008000 0.423800 -7.0578E+00 1.4287E+01 -5.0355E+00 H2 615 1.008000 0.423800 -5.6059E+00 1.4324E+01 -4.2890E+00 O6 616 15.999400 -0.847600 -4.3230E+00 -1.1866E+01 -1.3560E+01 H1 617 1.008000 0.423800 -4.1983E+00 -1.1320E+01 -1.2731E+01 H2 618 1.008000 0.423800 -4.7502E+00 -1.1303E+01 -1.4268E+01 O6 619 15.999400 -0.847600 1.2165E+01 -2.5457E+00 -6.1088E+00 H1 620 1.008000 0.423800 1.2873E+01 -3.2313E+00 -6.2811E+00 H2 621 1.008000 0.423800 1.2593E+01 -1.6948E+00 -5.8041E+00 O6 622 15.999400 -0.847600 9.5558E+00 -3.9281E+00 1.6584E+01 H1 623 1.008000 0.423800 8.6344E+00 -3.6463E+00 1.6317E+01 H2 624 1.008000 0.423800 1.0191E+01 -3.1687E+00 1.6443E+01 O6 625 15.999400 -0.847600 1.6489E+01 -1.5683E+01 7.3610E+00 H1 626 1.008000 0.423800 1.6872E+01 -1.4802E+01 7.0829E+00 H2 627 1.008000 0.423800 1.6167E+01 -1.6176E+01 6.5530E+00 O6 628 15.999400 -0.847600 1.0647E+01 1.8857E+01 -1.0163E+01 H1 629 1.008000 0.423800 9.6793E+00 1.8792E+01 -9.9191E+00 H2 630 1.008000 0.423800 1.1137E+01 1.9360E+01 -9.4520E+00 O6 631 15.999400 -0.847600 7.4027E+00 -3.3664E+00 -1.5335E+01 H1 632 1.008000 0.423800 7.7670E+00 -3.3668E+00 -1.6266E+01 H2 633 1.008000 0.423800 6.9162E+00 -2.5089E+00 -1.5168E+01 O6 634 15.999400 -0.847600 1.6026E+01 1.1452E+01 -2.3687E+00 H1 635 1.008000 0.423800 1.6581E+01 1.1608E+01 -3.1866E+00 H2 636 1.008000 0.423800 1.5133E+01 1.1885E+01 -2.4847E+00 O6 637 15.999400 -0.847600 -1.7329E+01 1.1919E+01 -1.0702E+01 H1 638 1.008000 0.423800 -1.8061E+01 1.2426E+01 -1.0248E+01 H2 639 1.008000 0.423800 -1.6933E+01 1.2483E+01 -1.1427E+01 O6 640 15.999400 -0.847600 -9.9413E+00 7.6001E-01 1.5155E+01 H1 641 1.008000 0.423800 -1.0545E+01 7.4810E-01 1.5952E+01 H2 642 1.008000 0.423800 -9.3847E+00 1.5906E+00 1.5171E+01 O6 643 15.999400 -0.847600 -1.1357E+01 1.0904E+01 3.1484E+00 H1 644 1.008000 0.423800 -1.0623E+01 1.1021E+01 3.8170E+00 H2 645 1.008000 0.423800 -1.2175E+01 1.1385E+01 3.4634E+00 O6 646 15.999400 -0.847600 1.3441E+01 -1.5780E+01 -6.2832E+00 H1 647 1.008000 0.423800 1.3453E+01 -1.6551E+01 -5.6465E+00 H2 648 1.008000 0.423800 1.2512E+01 -1.5416E+01 -6.3472E+00 O6 649 15.999400 -0.847600 4.2103E+00 3.2145E+00 -7.6850E+00 H1 650 1.008000 0.423800 3.5543E+00 3.7469E+00 -8.2200E+00 H2 651 1.008000 0.423800 4.2556E+00 3.5789E+00 -6.7549E+00 O6 652 15.999400 -0.847600 -1.4782E+01 4.0541E-01 -2.0971E+00 H1 653 1.008000 0.423800 -1.5570E+01 3.7444E-01 -2.7118E+00 H2 654 1.008000 0.423800 -1.4273E+01 -4.5235E-01 -2.1650E+00 O6 655 15.999400 -0.847600 -1.7272E+01 1.7165E+01 6.4002E+00 H1 656 1.008000 0.423800 -1.7149E+01 1.6229E+01 6.0707E+00 H2 657 1.008000 0.423800 -1.7406E+01 1.7777E+01 5.6212E+00 O6 658 15.999400 -0.847600 1.8673E+01 2.2284E+00 -1.0826E+01 H1 659 1.008000 0.423800 1.9182E+01 2.0997E+00 -1.1677E+01 H2 660 1.008000 0.423800 1.9313E+01 2.2692E+00 -1.0059E+01 O6 661 15.999400 -0.847600 -9.7494E-01 1.7625E+01 -8.6309E+00 H1 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-9.3560E+00 4.1211E+00 -1.0177E-01 O6 679 15.999400 -0.847600 1.3473E+01 -8.6776E+00 8.9464E+00 H1 680 1.008000 0.423800 1.2759E+01 -8.3549E+00 9.5672E+00 H2 681 1.008000 0.423800 1.3406E+01 -9.6705E+00 8.8484E+00 O6 682 15.999400 -0.847600 8.7091E-01 1.8049E+01 8.5552E+00 H1 683 1.008000 0.423800 1.7047E+00 1.8263E+01 8.0462E+00 H2 684 1.008000 0.423800 3.8535E-01 1.7303E+01 8.1010E+00 O6 685 15.999400 -0.847600 1.1781E+00 -7.1224E-01 -3.2162E+00 H1 686 1.008000 0.423800 5.9225E-01 -1.8657E-01 -2.5994E+00 H2 687 1.008000 0.423800 2.0867E+00 -2.9596E-01 -3.2483E+00 O6 688 15.999400 -0.847600 -1.4921E+01 1.7625E+01 1.1177E+01 H1 689 1.008000 0.423800 -1.4047E+01 1.7322E+01 1.0797E+01 H2 690 1.008000 0.423800 -1.5113E+01 1.7118E+01 1.2017E+01 O6 691 15.999400 -0.847600 -5.7815E+00 3.3029E+00 1.3543E+01 H1 692 1.008000 0.423800 -5.8797E+00 2.6900E+00 1.2759E+01 H2 693 1.008000 0.423800 -6.6211E+00 3.2867E+00 1.4086E+01 O6 694 15.999400 -0.847600 -1.8357E+00 6.5786E+00 2.7562E+00 H1 695 1.008000 0.423800 -1.2785E+00 6.7831E+00 3.5610E+00 H2 696 1.008000 0.423800 -1.2387E+00 6.3611E+00 1.9840E+00 O6 697 15.999400 -0.847600 1.6992E+01 8.6360E+00 1.2825E+01 H1 698 1.008000 0.423800 1.6137E+01 8.9285E+00 1.3255E+01 H2 699 1.008000 0.423800 1.7316E+01 7.7979E+00 1.3264E+01 O6 700 15.999400 -0.847600 1.0940E+01 -1.6506E+00 -1.9277E+01 H1 701 1.008000 0.423800 1.0831E+01 -1.1526E+00 -1.8417E+01 H2 702 1.008000 0.423800 1.1085E+01 -2.6211E+00 -1.9084E+01 O6 703 15.999400 -0.847600 -1.7914E+01 1.0868E+01 -7.6299E+00 H1 704 1.008000 0.423800 -1.6931E+01 1.0789E+01 -7.7999E+00 H2 705 1.008000 0.423800 -1.8324E+01 1.1464E+01 -8.3206E+00 O6 706 15.999400 -0.847600 -1.0211E+01 8.4952E+00 2.6145E+00 H1 707 1.008000 0.423800 -9.3530E+00 8.6295E+00 2.1182E+00 H2 708 1.008000 0.423800 -1.0029E+01 8.0046E+00 3.4668E+00 O6 709 15.999400 -0.847600 -1.6910E+01 9.4174E+00 8.4374E+00 H1 710 1.008000 0.423800 -1.7254E+01 1.0356E+01 8.4306E+00 H2 711 1.008000 0.423800 -1.7550E+01 8.8245E+00 7.9487E+00 O6 712 15.999400 -0.847600 -1.3527E+01 -1.8175E+01 -1.5236E+01 H1 713 1.008000 0.423800 -1.3338E+01 -1.7412E+01 -1.4617E+01 H2 714 1.008000 0.423800 -1.4501E+01 -1.8399E+01 -1.5200E+01 O6 715 15.999400 -0.847600 1.0935E+01 -1.1649E+01 5.3481E+00 H1 716 1.008000 0.423800 1.0403E+01 -1.1173E+01 4.6478E+00 H2 717 1.008000 0.423800 1.0319E+01 -1.2177E+01 5.9324E+00 O6 718 15.999400 -0.847600 4.6881E+00 -1.1291E+01 3.3510E+00 H1 719 1.008000 0.423800 4.5571E+00 -1.0448E+01 3.8723E+00 H2 720 1.008000 0.423800 4.9825E+00 -1.2022E+01 3.9672E+00 O6 721 15.999400 -0.847600 -6.4328E+00 -1.1677E+01 -6.5348E+00 H1 722 1.008000 0.423800 -7.4207E+00 -1.1657E+01 -6.3814E+00 H2 723 1.008000 0.423800 -6.1977E+00 -1.1048E+01 -7.2760E+00 O6 724 15.999400 -0.847600 -1.0250E+01 1.6274E+01 3.3257E-01 H1 725 1.008000 0.423800 -1.0350E+01 1.5501E+01 9.5881E-01 H2 726 1.008000 0.423800 -1.0641E+01 1.7094E+01 7.4985E-01 O6 727 15.999400 -0.847600 -9.9164E+00 9.9755E+00 -1.4279E+01 H1 728 1.008000 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6.1039E+00 O6 745 15.999400 -0.847600 -1.9178E+01 -2.6885E+00 -1.7543E+01 H1 746 1.008000 0.423800 -1.9300E+01 -2.8052E+00 -1.8529E+01 H2 747 1.008000 0.423800 -1.9043E+01 -3.5826E+00 -1.7116E+01 O6 748 15.999400 -0.847600 -4.5617E+00 -8.3188E+00 -1.5801E+01 H1 749 1.008000 0.423800 -4.6563E+00 -8.1461E+00 -1.4821E+01 H2 750 1.008000 0.423800 -3.5957E+00 -8.2741E+00 -1.6056E+01 O6 751 15.999400 -0.847600 -2.1916E+00 1.7589E+01 -1.3931E+01 H1 752 1.008000 0.423800 -1.9065E+00 1.7142E+01 -1.4779E+01 H2 753 1.008000 0.423800 -1.3866E+00 1.7787E+01 -1.3372E+01 O6 754 15.999400 -0.847600 -1.7655E+01 -9.6756E-01 -3.4034E-01 H1 755 1.008000 0.423800 -1.7082E+01 -1.1299E+00 4.6304E-01 H2 756 1.008000 0.423800 -1.8253E+01 -1.8445E-01 -1.7031E-01 O6 757 15.999400 -0.847600 6.1888E-01 -5.4015E+00 7.1227E+00 H1 758 1.008000 0.423800 1.0504E+00 -5.4227E+00 6.2209E+00 H2 759 1.008000 0.423800 -2.7745E-01 -5.8422E+00 7.0737E+00 O6 760 15.999400 -0.847600 1.1446E+01 1.6045E+01 1.2732E+01 H1 761 1.008000 0.423800 1.0742E+01 1.5350E+01 1.2588E+01 H2 762 1.008000 0.423800 1.1178E+01 1.6639E+01 1.3490E+01 O6 763 15.999400 -0.847600 -8.0431E+00 3.5055E+00 -1.1521E+01 H1 764 1.008000 0.423800 -8.7785E+00 4.0506E+00 -1.1119E+01 H2 765 1.008000 0.423800 -7.9682E+00 2.6354E+00 -1.1034E+01 O6 766 15.999400 -0.847600 1.2799E+01 -4.0118E+00 -3.4959E+00 H1 767 1.008000 0.423800 1.3487E+01 -4.0433E+00 -4.2207E+00 H2 768 1.008000 0.423800 1.2041E+01 -3.4257E+00 -3.7814E+00 O6 769 15.999400 -0.847600 1.2376E+01 8.4151E+00 -2.6964E+00 H1 770 1.008000 0.423800 1.3137E+01 7.7682E+00 -2.6375E+00 H2 771 1.008000 0.423800 1.1684E+01 8.0594E+00 -3.3242E+00 O6 772 15.999400 -0.847600 -1.6989E+01 4.8352E+00 9.5608E+00 H1 773 1.008000 0.423800 -1.6172E+01 4.9611E+00 1.0123E+01 H2 774 1.008000 0.423800 -1.7763E+01 5.3027E+00 9.9883E+00 O6 775 15.999400 -0.847600 1.9142E+01 1.4451E+01 1.4033E+01 H1 776 1.008000 0.423800 1.8853E+01 1.3505E+01 1.3883E+01 H2 777 1.008000 0.423800 -1.9481E+01 1.4520E+01 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0.423800 7.3190E+00 -8.6974E+00 1.8917E+01 H2 795 1.008000 0.423800 5.7052E+00 -8.8232E+00 1.9133E+01 O6 796 15.999400 -0.847600 6.0996E+00 1.3903E+01 1.5134E+01 H1 797 1.008000 0.423800 6.6493E+00 1.4541E+01 1.4593E+01 H2 798 1.008000 0.423800 5.6788E+00 1.4392E+01 1.5898E+01 O6 799 15.999400 -0.847600 1.1282E+01 -1.5056E+01 -1.7219E+01 H1 800 1.008000 0.423800 1.0619E+01 -1.4812E+01 -1.7927E+01 H2 801 1.008000 0.423800 1.1160E+01 -1.6015E+01 -1.6965E+01 O6 802 15.999400 -0.847600 1.9548E+01 1.3612E+00 7.6092E+00 H1 803 1.008000 0.423800 1.8958E+01 1.5801E+00 6.8321E+00 H2 804 1.008000 0.423800 -1.9447E+01 2.1701E+00 8.1882E+00 O6 805 15.999400 -0.847600 -1.8635E+01 -1.1479E+01 1.3514E+01 H1 806 1.008000 0.423800 -1.8837E+01 -1.0594E+01 1.3933E+01 H2 807 1.008000 0.423800 -1.9414E+01 -1.1772E+01 1.2960E+01 O6 808 15.999400 -0.847600 1.6246E+01 4.8662E+00 3.8370E+00 H1 809 1.008000 0.423800 1.5379E+01 5.3306E+00 3.6527E+00 H2 810 1.008000 0.423800 1.6880E+01 5.0326E+00 3.0822E+00 O6 811 15.999400 -0.847600 -5.2962E+00 -1.4183E+01 -6.8289E+00 H1 812 1.008000 0.423800 -5.4832E+00 -1.4262E+01 -7.8080E+00 H2 813 1.008000 0.423800 -5.6813E+00 -1.3327E+01 -6.4845E+00 O6 814 15.999400 -0.847600 -1.8141E+01 1.3786E+01 1.0919E+01 H1 815 1.008000 0.423800 -1.9095E+01 1.3655E+01 1.0651E+01 H2 816 1.008000 0.423800 -1.7840E+01 1.4700E+01 1.0644E+01 O6 817 15.999400 -0.847600 -1.5189E+01 8.3385E+00 1.1255E+01 H1 818 1.008000 0.423800 -1.4805E+01 7.5081E+00 1.0852E+01 H2 819 1.008000 0.423800 -1.4586E+01 9.1127E+00 1.1062E+01 O6 820 15.999400 -0.847600 -1.5574E+01 4.2829E-01 8.1114E+00 H1 821 1.008000 0.423800 -1.6447E+01 4.2770E-01 7.6244E+00 H2 822 1.008000 0.423800 -1.5729E+01 2.1072E-01 9.0750E+00 O6 823 15.999400 -0.847600 -6.9906E+00 -1.0101E+01 1.5357E+01 H1 824 1.008000 0.423800 -6.0197E+00 -1.0095E+01 1.5597E+01 H2 825 1.008000 0.423800 -7.4956E+00 -1.0645E+01 1.6028E+01 O6 826 15.999400 -0.847600 -1.9659E+00 -6.5630E-01 2.1864E+00 H1 827 1.008000 0.423800 -2.6227E+00 -8.8202E-01 2.9059E+00 H2 828 1.008000 0.423800 -2.0783E+00 3.0124E-01 1.9210E+00 O6 829 15.999400 -0.847600 -1.8511E+01 1.5777E+01 1.6361E+01 H1 830 1.008000 0.423800 -1.8517E+01 1.6007E+01 1.7334E+01 H2 831 1.008000 0.423800 -1.8841E+01 1.6558E+01 1.5832E+01 O6 832 15.999400 -0.847600 1.8977E+01 -1.3105E+01 -7.5351E+00 H1 833 1.008000 0.423800 -1.9253E+01 -1.3569E+01 -7.3573E+00 H2 834 1.008000 0.423800 1.8835E+01 -1.2389E+01 -6.8520E+00 O6 835 15.999400 -0.847600 -1.9505E+01 -1.0077E+01 6.2626E+00 H1 836 1.008000 0.423800 -1.8742E+01 -9.5662E+00 6.6599E+00 H2 837 1.008000 0.423800 1.9069E+01 -1.0516E+01 6.9927E+00 O6 838 15.999400 -0.847600 -1.3113E+00 1.1724E+01 1.3806E+01 H1 839 1.008000 0.423800 -2.0657E+00 1.2033E+01 1.3227E+01 H2 840 1.008000 0.423800 -9.7930E-01 1.0840E+01 1.3478E+01 O6 841 15.999400 -0.847600 -1.4093E+01 1.0243E+01 -9.7022E+00 H1 842 1.008000 0.423800 -1.3171E+01 9.9897E+00 -9.4102E+00 H2 843 1.008000 0.423800 -1.4655E+01 9.4207E+00 -9.7816E+00 O6 844 15.999400 -0.847600 1.8302E+00 1.3447E+01 -1.9141E+01 H1 845 1.008000 0.423800 2.3692E+00 1.3787E+01 1.9185E+01 H2 846 1.008000 0.423800 8.5724E-01 1.3501E+01 -1.9366E+01 O6 847 15.999400 -0.847600 5.6867E+00 -8.6275E+00 -1.6956E+01 H1 848 1.008000 0.423800 6.1991E+00 -8.5354E+00 -1.7810E+01 H2 849 1.008000 0.423800 6.2918E+00 -8.4397E+00 -1.6182E+01 O6 850 15.999400 -0.847600 -5.5587E+00 1.4554E+01 6.2818E+00 H1 851 1.008000 0.423800 -5.3768E+00 1.3675E+01 5.8409E+00 H2 852 1.008000 0.423800 -6.5357E+00 1.4760E+01 6.2252E+00 O6 853 15.999400 -0.847600 1.9475E+01 -3.8233E-01 -3.2301E+00 H1 854 1.008000 0.423800 1.8825E+01 -7.0381E-01 -2.5417E+00 H2 855 1.008000 0.423800 1.9153E+01 4.8284E-01 -3.6144E+00 O6 856 15.999400 -0.847600 1.5548E+01 -8.5747E+00 -7.3490E+00 H1 857 1.008000 0.423800 1.4612E+01 -8.4290E+00 -7.6677E+00 H2 858 1.008000 0.423800 1.5776E+01 -9.5461E+00 -7.4159E+00 O6 859 15.999400 -0.847600 6.6887E+00 3.9705E+00 -1.9063E+01 H1 860 1.008000 0.423800 5.9626E+00 3.2966E+00 -1.9200E+01 H2 861 1.008000 0.423800 6.7264E+00 4.5843E+00 1.9246E+01 O6 862 15.999400 -0.847600 3.6664E-01 7.7779E+00 -1.1775E+01 H1 863 1.008000 0.423800 5.9798E-01 8.5872E+00 -1.1235E+01 H2 864 1.008000 0.423800 1.1143E+00 7.5742E+00 -1.2407E+01 O6 865 15.999400 -0.847600 6.7492E+00 -1.7696E+01 1.4325E+01 H1 866 1.008000 0.423800 6.9196E+00 -1.8597E+01 1.4723E+01 H2 867 1.008000 0.423800 5.7794E+00 -1.7469E+01 1.4415E+01 O6 868 15.999400 -0.847600 -6.1118E+00 -7.9761E+00 -3.8311E+00 H1 869 1.008000 0.423800 -5.8565E+00 -8.7934E+00 -3.3145E+00 H2 870 1.008000 0.423800 -5.6574E+00 -7.1772E+00 -3.4371E+00 O6 871 15.999400 -0.847600 -1.9294E+01 1.3354E+01 2.4446E+00 H1 872 1.008000 0.423800 1.9461E+01 1.2693E+01 3.1118E+00 H2 873 1.008000 0.423800 -1.9250E+01 1.2925E+01 1.5425E+00 O6 874 15.999400 -0.847600 -9.8757E+00 1.4222E+01 1.2966E+01 H1 875 1.008000 0.423800 -9.0623E+00 1.3891E+01 1.3444E+01 H2 876 1.008000 0.423800 -9.7520E+00 1.4110E+01 1.1981E+01 O6 877 15.999400 -0.847600 -1.0633E+01 5.9990E+00 -1.4182E+01 H1 878 1.008000 0.423800 -1.1368E+01 6.6521E+00 -1.3999E+01 H2 879 1.008000 0.423800 -1.0917E+01 5.0869E+00 -1.3886E+01 O6 880 15.999400 -0.847600 -1.0282E+01 1.6088E+01 -8.9533E+00 H1 881 1.008000 0.423800 -9.7956E+00 1.5502E+01 -8.3044E+00 H2 882 1.008000 0.423800 -9.8171E+00 1.6971E+01 -9.0178E+00 O6 883 15.999400 -0.847600 -5.8615E+00 -4.5465E+00 -6.8953E+00 H1 884 1.008000 0.423800 -5.4175E+00 -3.6571E+00 -6.7864E+00 H2 885 1.008000 0.423800 -6.7972E+00 -4.4968E+00 -6.5461E+00 O6 886 15.999400 -0.847600 -1.1402E+01 -8.0793E+00 -5.8838E+00 H1 887 1.008000 0.423800 -1.1290E+01 -8.2921E+00 -4.9132E+00 H2 888 1.008000 0.423800 -1.2365E+01 -8.1751E+00 -6.1364E+00 O6 889 15.999400 -0.847600 4.1307E+00 -1.7689E+01 1.5273E+01 H1 890 1.008000 0.423800 4.0866E+00 -1.7144E+01 1.6110E+01 H2 891 1.008000 0.423800 3.3850E+00 -1.8355E+01 1.5269E+01 O6 892 15.999400 -0.847600 9.6774E+00 1.2167E+01 1.8206E+01 H1 893 1.008000 0.423800 9.8623E+00 1.1293E+01 1.8654E+01 H2 894 1.008000 0.423800 8.7849E+00 1.2129E+01 1.7756E+01 O6 895 15.999400 -0.847600 -1.5226E+01 -1.4894E+01 -6.7943E-01 H1 896 1.008000 0.423800 -1.5809E+01 -1.4822E+01 1.2934E-01 H2 897 1.008000 0.423800 -1.5700E+01 -1.4505E+01 -1.4689E+00 O6 898 15.999400 -0.847600 4.6660E+00 -8.9232E+00 4.6986E+00 H1 899 1.008000 0.423800 5.4099E+00 -8.6060E+00 5.2869E+00 H2 900 1.008000 0.423800 3.9256E+00 -8.2511E+00 4.7061E+00 O6 901 15.999400 -0.847600 -1.7859E+01 8.9059E+00 -1.5506E+01 H1 902 1.008000 0.423800 -1.7706E+01 9.5818E+00 -1.6227E+01 H2 903 1.008000 0.423800 -1.7758E+01 9.3433E+00 -1.4612E+01 O6 904 15.999400 -0.847600 -2.0228E+00 1.7262E+01 -6.0997E+00 H1 905 1.008000 0.423800 -2.5001E+00 1.6664E+01 -5.4553E+00 H2 906 1.008000 0.423800 -2.4465E+00 1.8168E+01 -6.0908E+00 O6 907 15.999400 -0.847600 -5.3122E+00 5.3296E+00 1.5885E+01 H1 908 1.008000 0.423800 -4.8590E+00 6.1372E+00 1.6262E+01 H2 909 1.008000 0.423800 -5.2465E+00 5.3464E+00 1.4887E+01 O6 910 15.999400 -0.847600 -3.5181E+00 -9.4685E+00 1.2546E+01 H1 911 1.008000 0.423800 -4.0187E+00 -1.0212E+01 1.2990E+01 H2 912 1.008000 0.423800 -3.1264E+00 -9.7968E+00 1.1686E+01 O6 913 15.999400 -0.847600 1.8680E+01 1.4184E+00 3.1496E-01 H1 914 1.008000 0.423800 1.8257E+01 1.6207E+00 -5.6816E-01 H2 915 1.008000 0.423800 1.7994E+01 1.0365E+00 9.3387E-01 O6 916 15.999400 -0.847600 7.9868E+00 1.8735E+01 -1.8162E+01 H1 917 1.008000 0.423800 8.8860E+00 1.8366E+01 -1.8398E+01 H2 918 1.008000 0.423800 7.2746E+00 1.8135E+01 -1.8526E+01 O6 919 15.999400 -0.847600 -3.9040E-01 -1.5947E+00 -7.9774E+00 H1 920 1.008000 0.423800 -3.6572E-01 -1.7357E+00 -6.9877E+00 H2 921 1.008000 0.423800 5.4331E-01 -1.5779E+00 -8.3350E+00 O6 922 15.999400 -0.847600 3.0068E+00 4.9949E+00 1.3258E+01 H1 923 1.008000 0.423800 2.6236E+00 5.6638E+00 1.3895E+01 H2 924 1.008000 0.423800 3.8880E+00 5.3243E+00 1.2919E+01 O6 925 15.999400 -0.847600 4.8912E+00 1.5403E+01 -5.8959E+00 H1 926 1.008000 0.423800 4.8975E+00 1.5213E+01 -4.9142E+00 H2 927 1.008000 0.423800 5.5985E+00 1.4858E+01 -6.3458E+00 O6 928 15.999400 -0.847600 4.8009E+00 8.6985E+00 8.7835E+00 H1 929 1.008000 0.423800 4.2630E+00 9.5326E+00 8.9057E+00 H2 930 1.008000 0.423800 4.5775E+00 8.2842E+00 7.9012E+00 O6 931 15.999400 -0.847600 -1.3013E+01 8.1163E+00 1.3070E+01 H1 932 1.008000 0.423800 -1.3579E+01 8.7832E+00 1.2584E+01 H2 933 1.008000 0.423800 -1.3541E+01 7.2807E+00 1.3223E+01 O6 934 15.999400 -0.847600 1.6548E-01 7.8856E+00 8.0246E+00 H1 935 1.008000 0.423800 6.8271E-02 7.9725E+00 9.0161E+00 H2 936 1.008000 0.423800 6.6726E-01 7.0473E+00 7.8112E+00 O6 937 15.999400 -0.847600 5.4017E+00 -7.9347E+00 -4.4198E+00 H1 938 1.008000 0.423800 6.3867E+00 -7.8491E+00 -4.5700E+00 H2 939 1.008000 0.423800 4.9282E+00 -7.9252E+00 -5.3005E+00 O6 940 15.999400 -0.847600 -7.6493E+00 -7.7251E+00 -1.3671E+01 H1 941 1.008000 0.423800 -8.0898E+00 -6.9127E+00 -1.3289E+01 H2 942 1.008000 0.423800 -8.3002E+00 -8.2159E+00 -1.4250E+01 O6 943 15.999400 -0.847600 4.2237E+00 -3.8436E+00 7.2630E+00 H1 944 1.008000 0.423800 5.1883E+00 -4.0552E+00 7.1057E+00 H2 945 1.008000 0.423800 3.6721E+00 -4.6616E+00 7.1001E+00 O6 946 15.999400 -0.847600 -8.7416E+00 -3.0520E+00 2.3047E+00 H1 947 1.008000 0.423800 -8.8545E+00 -2.5053E+00 1.4750E+00 H2 948 1.008000 0.423800 -9.6404E+00 -3.2706E+00 2.6846E+00 O6 949 15.999400 -0.847600 4.1981E+00 1.9617E+00 8.3739E+00 H1 950 1.008000 0.423800 3.5982E+00 1.4101E+00 8.9534E+00 H2 951 1.008000 0.423800 3.6509E+00 2.4379E+00 7.6856E+00 O6 952 15.999400 -0.847600 1.1823E+01 1.7462E+01 3.4943E-01 H1 953 1.008000 0.423800 1.2604E+01 1.8035E+01 9.9183E-02 H2 954 1.008000 0.423800 1.1893E+01 1.7206E+01 1.3137E+00 O6 955 15.999400 -0.847600 7.4080E+00 -8.8014E+00 -7.1185E+00 H1 956 1.008000 0.423800 6.7161E+00 -9.0926E+00 -7.7793E+00 H2 957 1.008000 0.423800 8.1435E+00 -9.4781E+00 -7.0862E+00 O6 958 15.999400 -0.847600 1.8614E+01 -5.5547E+00 3.2682E+00 H1 959 1.008000 0.423800 1.9244E+01 -5.7081E+00 4.0290E+00 H2 960 1.008000 0.423800 1.7973E+01 -4.8257E+00 3.5084E+00 O6 961 15.999400 -0.847600 1.1426E+01 -1.3858E+01 -8.7871E-01 H1 962 1.008000 0.423800 1.1285E+01 -1.3717E+01 -1.8587E+00 H2 963 1.008000 0.423800 1.2399E+01 -1.3767E+01 -6.6514E-01 O6 964 15.999400 -0.847600 1.3903E+01 2.8600E+00 1.6918E+00 H1 965 1.008000 0.423800 1.3524E+01 2.8659E+00 7.6650E-01 H2 966 1.008000 0.423800 1.4021E+01 3.8008E+00 2.0098E+00 O6 967 15.999400 -0.847600 -7.8294E+00 -7.3217E+00 1.1598E+01 H1 968 1.008000 0.423800 -8.4239E+00 -6.5478E+00 1.1817E+01 H2 969 1.008000 0.423800 -6.8987E+00 -7.1244E+00 1.1906E+01 O6 970 15.999400 -0.847600 1.8843E+01 4.4439E+00 6.3235E+00 H1 971 1.008000 0.423800 1.7947E+01 4.6158E+00 5.9147E+00 H2 972 1.008000 0.423800 1.8849E+01 4.7772E+00 7.2663E+00 O6 973 15.999400 -0.847600 -2.3416E+00 -7.3406E+00 -1.8184E+01 H1 974 1.008000 0.423800 -3.0229E+00 -7.1127E+00 -1.8880E+01 H2 975 1.008000 0.423800 -2.0370E+00 -8.2843E+00 -1.8313E+01 O6 976 15.999400 -0.847600 6.6491E+00 -1.3734E+01 -1.9104E+01 H1 977 1.008000 0.423800 7.1614E+00 -1.3183E+01 1.9334E+01 H2 978 1.008000 0.423800 5.8766E+00 -1.3204E+01 -1.8756E+01 O6 979 15.999400 -0.847600 8.0561E+00 -8.1558E+00 -1.2035E+01 H1 980 1.008000 0.423800 8.2941E+00 -9.0738E+00 -1.2352E+01 H2 981 1.008000 0.423800 7.2547E+00 -7.8276E+00 -1.2535E+01 O6 982 15.999400 -0.847600 -1.2416E+01 7.6907E-01 1.3293E+01 H1 983 1.008000 0.423800 -1.2281E+01 1.4690E+00 1.2592E+01 H2 984 1.008000 0.423800 -1.1527E+01 4.6285E-01 1.3634E+01 O6 985 15.999400 -0.847600 3.1560E+00 -9.2502E+00 1.3652E+01 H1 986 1.008000 0.423800 2.4981E+00 -8.7173E+00 1.3119E+01 H2 987 1.008000 0.423800 3.0934E+00 -1.0214E+01 1.3391E+01 O6 988 15.999400 -0.847600 1.2425E+01 7.8810E+00 1.2454E+01 H1 989 1.008000 0.423800 1.1907E+01 8.4296E+00 1.3110E+01 H2 990 1.008000 0.423800 1.2131E+01 8.1062E+00 1.1525E+01 O6 991 15.999400 -0.847600 -1.0930E+01 -9.4809E+00 -3.4635E+00 H1 992 1.008000 0.423800 -1.1417E+01 -1.0349E+01 -3.3678E+00 H2 993 1.008000 0.423800 -9.9488E+00 -9.6341E+00 -3.3450E+00 O6 994 15.999400 -0.847600 1.3663E+01 1.4652E+01 1.2030E+01 H1 995 1.008000 0.423800 1.2876E+01 1.5148E+01 1.2396E+01 H2 996 1.008000 0.423800 1.4505E+01 1.5049E+01 1.2395E+01 O6 997 15.999400 -0.847600 9.9726E+00 -1.3541E+01 7.1498E+00 H1 998 1.008000 0.423800 9.9929E+00 -1.4483E+01 6.8140E+00 H2 999 1.008000 0.423800 1.0681E+01 -1.3420E+01 7.8454E+00 O6 1000 15.999400 -0.847600 1.4691E+01 -1.1190E+01 -1.7087E+01 H1 1001 1.008000 0.423800 1.3713E+01 -1.1398E+01 -1.7103E+01 H2 1002 1.008000 0.423800 1.5109E+01 -1.1613E+01 -1.6284E+01 O6 1003 15.999400 -0.847600 -1.0553E+01 -1.4614E+01 -6.2389E+00 H1 1004 1.008000 0.423800 -1.0222E+01 -1.4984E+01 -5.3711E+00 H2 1005 1.008000 0.423800 -9.7748E+00 -1.4391E+01 -6.8256E+00 O6 1006 15.999400 -0.847600 3.3539E+00 -1.0011E+01 -1.2065E+00 H1 1007 1.008000 0.423800 3.1503E+00 -9.7271E+00 -2.1436E+00 H2 1008 1.008000 0.423800 2.5089E+00 -1.0294E+01 -7.5303E-01 O6 1009 15.999400 -0.847600 -2.8765E+00 1.3943E+01 -1.0920E+01 H1 1010 1.008000 0.423800 -2.0549E+00 1.3948E+01 -1.0350E+01 H2 1011 1.008000 0.423800 -3.2771E+00 1.4859E+01 -1.0935E+01 O6 1012 15.999400 -0.847600 5.0097E+00 -1.8623E+00 3.1119E+00 H1 1013 1.008000 0.423800 4.3169E+00 -2.3678E+00 3.6262E+00 H2 1014 1.008000 0.423800 4.7181E+00 -1.7724E+00 2.1596E+00 O6 1015 15.999400 -0.847600 -9.3080E+00 -1.3033E+01 -1.7541E+01 H1 1016 1.008000 0.423800 -1.0181E+01 -1.3053E+01 -1.7054E+01 H2 1017 1.008000 0.423800 -9.4281E+00 -1.3416E+01 -1.8457E+01 O6 1018 15.999400 -0.847600 9.4007E+00 -3.5239E+00 -6.1254E+00 H1 1019 1.008000 0.423800 9.5132E+00 -4.1691E+00 -6.8811E+00 H2 1020 1.008000 0.423800 1.0109E+01 -2.8198E+00 -6.1801E+00 O6 1021 15.999400 -0.847600 -1.6652E+01 9.8663E+00 -1.3359E+01 H1 1022 1.008000 0.423800 -1.6449E+01 9.4405E+00 -1.2477E+01 H2 1023 1.008000 0.423800 -1.5881E+01 9.7312E+00 -1.3980E+01 O6 1024 15.999400 -0.847600 -7.1984E+00 -8.5524E+00 -9.4110E+00 H1 1025 1.008000 0.423800 -8.0180E+00 -9.0616E+00 -9.1482E+00 H2 1026 1.008000 0.423800 -6.4074E+00 -8.9180E+00 -8.9205E+00 O6 1027 15.999400 -0.847600 -1.9507E+01 8.4466E+00 -1.1432E+01 H1 1028 1.008000 0.423800 1.9169E+01 8.3032E+00 -1.0536E+01 H2 1029 1.008000 0.423800 1.9176E+01 9.2439E+00 -1.1871E+01 O6 1030 15.999400 -0.847600 -3.8520E+00 7.1088E+00 1.7676E+01 H1 1031 1.008000 0.423800 -3.0336E+00 7.6684E+00 1.7807E+01 H2 1032 1.008000 0.423800 -4.2222E+00 6.8458E+00 1.8567E+01 O6 1033 15.999400 -0.847600 -1.4651E+01 7.1549E+00 4.7362E-01 H1 1034 1.008000 0.423800 -1.3918E+01 7.5909E+00 -4.8598E-02 H2 1035 1.008000 0.423800 -1.4258E+01 6.4867E+00 1.1054E+00 O6 1036 15.999400 -0.847600 7.1318E+00 1.0944E+01 -1.5732E+01 H1 1037 1.008000 0.423800 6.4772E+00 1.1468E+01 -1.5188E+01 H2 1038 1.008000 0.423800 7.9687E+00 1.0804E+01 -1.5203E+01 O6 1039 15.999400 -0.847600 -1.7549E+01 1.8775E+01 -1.9474E+01 H1 1040 1.008000 0.423800 -1.7850E+01 1.9156E+01 1.8750E+01 H2 1041 1.008000 0.423800 -1.8328E+01 1.8713E+01 -1.8850E+01 O6 1042 15.999400 -0.847600 -2.8622E+00 -1.3007E+00 -8.7337E+00 H1 1043 1.008000 0.423800 -1.9505E+00 -1.2811E+00 -8.3234E+00 H2 1044 1.008000 0.423800 -3.0692E+00 -4.0577E-01 -9.1290E+00 O6 1045 15.999400 -0.847600 1.7971E+01 2.5673E-01 -7.9969E+00 H1 1046 1.008000 0.423800 1.7771E+01 -3.1931E-01 -7.2043E+00 H2 1047 1.008000 0.423800 1.7374E+01 1.0589E+00 -7.9851E+00 O6 1048 15.999400 -0.847600 -4.9141E+00 1.9068E+01 1.0127E+00 H1 1049 1.008000 0.423800 -4.7626E+00 -1.9141E+01 1.4441E+00 H2 1050 1.008000 0.423800 -5.7548E+00 1.8662E+01 1.3715E+00 O6 1051 15.999400 -0.847600 4.5029E+00 4.3368E-01 -8.6445E+00 H1 1052 1.008000 0.423800 4.4155E+00 1.3833E+00 -8.3436E+00 H2 1053 1.008000 0.423800 3.5928E+00 3.5184E-02 -8.7586E+00 O6 1054 15.999400 -0.847600 -1.2154E+01 3.2630E+00 1.9073E+01 H1 1055 1.008000 0.423800 -1.1635E+01 4.1083E+00 1.9197E+01 H2 1056 1.008000 0.423800 -1.3087E+01 3.3918E+00 1.9411E+01 O6 1057 15.999400 -0.847600 4.5681E+00 -3.3103E+00 1.7831E+01 H1 1058 1.008000 0.423800 4.0997E+00 -2.7623E+00 1.8524E+01 H2 1059 1.008000 0.423800 4.7560E+00 -4.2215E+00 1.8198E+01 O6 1060 15.999400 -0.847600 -4.1602E+00 -7.0706E-01 6.8950E+00 H1 1061 1.008000 0.423800 -3.4054E+00 -2.4636E-01 6.4281E+00 H2 1062 1.008000 0.423800 -4.4558E+00 -1.5551E-01 7.6750E+00 O6 1063 15.999400 -0.847600 -1.7452E+01 1.6103E+01 1.9082E+01 H1 1064 1.008000 0.423800 -1.7358E+01 1.7021E+01 1.9469E+01 H2 1065 1.008000 0.423800 -1.7645E+01 1.5451E+01 -1.9282E+01 O6 1066 15.999400 -0.847600 -5.5969E+00 -1.8004E+01 -7.1514E+00 H1 1067 1.008000 0.423800 -5.9096E+00 -1.8888E+01 -7.4989E+00 H2 1068 1.008000 0.423800 -4.6017E+00 -1.7948E+01 -7.2305E+00 O6 1069 15.999400 -0.847600 -8.0483E+00 -1.8604E+01 6.4072E+00 H1 1070 1.008000 0.423800 -8.4398E+00 -1.7735E+01 6.1030E+00 H2 1071 1.008000 0.423800 -8.0201E+00 -1.9244E+01 5.6394E+00 O6 1072 15.999400 -0.847600 1.3041E+01 1.0710E+01 1.6934E+00 H1 1073 1.008000 0.423800 1.3150E+01 1.1678E+01 1.4689E+00 H2 1074 1.008000 0.423800 1.3339E+01 1.0152E+01 9.1878E-01 O6 1075 15.999400 -0.847600 -5.3448E+00 5.4013E-01 -1.7194E+01 H1 1076 1.008000 0.423800 -5.6195E+00 -1.5952E-01 -1.7853E+01 H2 1077 1.008000 0.423800 -6.1581E+00 1.0005E+00 -1.6838E+01 O6 1078 15.999400 -0.847600 -1.9292E+01 -1.9197E+01 -1.1701E+01 H1 1079 1.008000 0.423800 -1.8934E+01 -1.8341E+01 -1.1328E+01 H2 1080 1.008000 0.423800 -1.8972E+01 1.9135E+01 -1.1144E+01 O6 1081 15.999400 -0.847600 -1.4028E+01 9.6027E+00 7.8226E+00 H1 1082 1.008000 0.423800 -1.4095E+01 1.0539E+01 7.4769E+00 H2 1083 1.008000 0.423800 -1.4945E+01 9.2150E+00 7.9165E+00 O6 1084 15.999400 -0.847600 7.4312E+00 1.8247E+01 4.2728E+00 H1 1085 1.008000 0.423800 8.3391E+00 1.7852E+01 4.4120E+00 H2 1086 1.008000 0.423800 7.5166E+00 1.9112E+01 3.7778E+00 O6 1087 15.999400 -0.847600 5.9546E+00 -1.2165E+01 1.6808E+01 H1 1088 1.008000 0.423800 6.0644E+00 -1.1319E+01 1.6287E+01 H2 1089 1.008000 0.423800 6.7481E+00 -1.2295E+01 1.7403E+01 O6 1090 15.999400 -0.847600 -1.1322E+01 7.0758E+00 -1.0907E+01 H1 1091 1.008000 0.423800 -1.2138E+01 7.3661E+00 -1.1407E+01 H2 1092 1.008000 0.423800 -1.0596E+01 7.7514E+00 -1.1033E+01 O6 1093 15.999400 -0.847600 4.5498E-01 1.1426E+01 1.1283E+01 H1 1094 1.008000 0.423800 2.7923E-01 1.0561E+01 1.1753E+01 H2 1095 1.008000 0.423800 1.3549E+00 1.1772E+01 1.1547E+01 O6 1096 15.999400 -0.847600 2.2777E+00 1.6876E+01 1.3403E+01 H1 1097 1.008000 0.423800 1.3380E+00 1.7114E+01 1.3648E+01 H2 1098 1.008000 0.423800 2.6454E+00 1.7568E+01 1.2781E+01 O6 1099 15.999400 -0.847600 3.9897E+00 -1.5287E+00 6.0126E+00 H1 1100 1.008000 0.423800 4.5978E+00 -9.2249E-01 6.5252E+00 H2 1101 1.008000 0.423800 3.9400E+00 -2.4161E+00 6.4709E+00 O6 1102 15.999400 -0.847600 -1.7692E+00 5.8860E+00 -1.1835E+01 H1 1103 1.008000 0.423800 -9.8890E-01 6.4653E+00 -1.1599E+01 H2 1104 1.008000 0.423800 -1.5097E+00 4.9245E+00 -1.1745E+01 O6 1105 15.999400 -0.847600 -7.0421E-01 3.0674E+00 -1.1202E+01 H1 1106 1.008000 0.423800 1.3477E-01 2.5699E+00 -1.0982E+01 H2 1107 1.008000 0.423800 -1.2104E+00 3.2567E+00 -1.0361E+01 O6 1108 15.999400 -0.847600 2.6427E+00 1.5625E+01 -1.3758E+01 H1 1109 1.008000 0.423800 2.2599E+00 1.5722E+01 -1.2839E+01 H2 1110 1.008000 0.423800 2.5771E+00 1.4670E+01 -1.4047E+01 O6 1111 15.999400 -0.847600 -8.3257E+00 -1.0285E+01 -3.0106E+00 H1 1112 1.008000 0.423800 -8.3557E+00 -9.9831E+00 -2.0577E+00 H2 1113 1.008000 0.423800 -7.3734E+00 -1.0370E+01 -3.3033E+00 O6 1114 15.999400 -0.847600 3.6885E+00 8.5431E+00 -6.4345E+00 H1 1115 1.008000 0.423800 3.6283E+00 8.3452E+00 -7.4129E+00 H2 1116 1.008000 0.423800 2.7688E+00 8.6691E+00 -6.0627E+00 O6 1117 15.999400 -0.847600 -3.3670E-02 5.5435E+00 -5.0716E+00 H1 1118 1.008000 0.423800 2.1251E-01 4.8996E+00 -5.7960E+00 H2 1119 1.008000 0.423800 -1.0290E+00 5.6282E+00 -5.0251E+00 O6 1120 15.999400 -0.847600 -8.6987E+00 1.1976E+01 1.4845E+01 H1 1121 1.008000 0.423800 -9.5314E+00 1.1514E+01 1.5150E+01 H2 1122 1.008000 0.423800 -8.0261E+00 1.1295E+01 1.4556E+01 O6 1123 15.999400 -0.847600 1.5970E+01 -2.4828E+00 1.9376E+01 H1 1124 1.008000 0.423800 1.6495E+01 -3.0159E+00 1.8713E+01 H2 1125 1.008000 0.423800 1.6574E+01 -1.8298E+00 -1.9265E+01 O6 1126 15.999400 -0.847600 1.2201E+01 1.1134E+01 -1.7784E+01 H1 1127 1.008000 0.423800 1.1340E+01 1.0792E+01 -1.8161E+01 H2 1128 1.008000 0.423800 1.2655E+01 1.1712E+01 -1.8463E+01 O6 1129 15.999400 -0.847600 -1.1908E+01 5.8024E+00 1.3210E+00 H1 1130 1.008000 0.423800 -1.1348E+01 5.6477E+00 2.1347E+00 H2 1131 1.008000 0.423800 -1.2347E+01 4.9455E+00 1.0507E+00 O6 1132 15.999400 -0.847600 2.3592E+00 -1.1885E+01 1.0469E+01 H1 1133 1.008000 0.423800 2.1574E+00 -1.0965E+01 1.0132E+01 H2 1134 1.008000 0.423800 2.2486E+00 -1.2544E+01 9.7250E+00 O6 1135 15.999400 -0.847600 1.0257E+01 9.6541E+00 1.9547E+01 H1 1136 1.008000 0.423800 1.1018E+01 9.0520E+00 1.9306E+01 H2 1137 1.008000 0.423800 9.7103E+00 9.2281E+00 -1.8830E+01 O6 1138 15.999400 -0.847600 3.9811E+00 -1.5900E+01 1.7322E+01 H1 1139 1.008000 0.423800 3.4168E+00 -1.5775E+01 1.8138E+01 H2 1140 1.008000 0.423800 4.9468E+00 -1.5902E+01 1.7581E+01 O6 1141 15.999400 -0.847600 9.4783E+00 1.0635E+01 -1.4449E+01 H1 1142 1.008000 0.423800 1.0110E+01 1.0033E+01 -1.4939E+01 H2 1143 1.008000 0.423800 9.9916E+00 1.1208E+01 -1.3810E+01 O6 1144 15.999400 -0.847600 1.3671E+00 -6.9607E+00 -4.4497E+00 H1 1145 1.008000 0.423800 1.8989E+00 -6.1138E+00 -4.4530E+00 H2 1146 1.008000 0.423800 5.7811E-01 -6.8565E+00 -3.8442E+00 O6 1147 15.999400 -0.847600 -7.2230E+00 9.2359E-01 -1.0586E+01 H1 1148 1.008000 0.423800 -7.9827E+00 3.1312E-01 -1.0362E+01 H2 1149 1.008000 0.423800 -6.4563E+00 3.8637E-01 -1.0937E+01 O6 1150 15.999400 -0.847600 -7.7908E+00 -1.6113E+01 9.7715E+00 H1 1151 1.008000 0.423800 -8.4250E+00 -1.5538E+01 9.2554E+00 H2 1152 1.008000 0.423800 -8.2212E+00 -1.6996E+01 9.9622E+00 O6 1153 15.999400 -0.847600 -1.6700E+01 -9.5205E+00 4.0868E+00 H1 1154 1.008000 0.423800 -1.7180E+01 -8.8136E+00 3.5675E+00 H2 1155 1.008000 0.423800 -1.6061E+01 -1.0000E+01 3.4850E+00 O6 1156 15.999400 -0.847600 8.4175E+00 1.6647E+01 9.8773E+00 H1 1157 1.008000 0.423800 9.1793E+00 1.6411E+01 9.2739E+00 H2 1158 1.008000 0.423800 7.9453E+00 1.5812E+01 1.0160E+01 O6 1159 15.999400 -0.847600 -6.2615E+00 1.3930E+01 -1.4438E+01 H1 1160 1.008000 0.423800 -5.8149E+00 1.3236E+01 -1.3873E+01 H2 1161 1.008000 0.423800 -6.9684E+00 1.3499E+01 -1.4999E+01 O6 1162 15.999400 -0.847600 -2.5286E+00 -1.4571E+01 -6.8873E+00 H1 1163 1.008000 0.423800 -3.5249E+00 -1.4536E+01 -6.8085E+00 H2 1164 1.008000 0.423800 -2.2773E+00 -1.4850E+01 -7.8141E+00 O6 1165 15.999400 -0.847600 1.4367E+01 -2.4040E+00 -1.2554E+01 H1 1166 1.008000 0.423800 1.4652E+01 -1.9291E+00 -1.3386E+01 H2 1167 1.008000 0.423800 1.5175E+01 -2.6629E+00 -1.2024E+01 O6 1168 15.999400 -0.847600 -1.0359E+01 9.6491E+00 7.1111E+00 H1 1169 1.008000 0.423800 -1.0450E+01 1.0202E+01 7.9395E+00 H2 1170 1.008000 0.423800 -1.0787E+01 8.7569E+00 7.2570E+00 O6 1171 15.999400 -0.847600 1.4159E+01 -1.5431E+01 2.3157E+00 H1 1172 1.008000 0.423800 1.3293E+01 -1.4973E+01 2.1139E+00 H2 1173 1.008000 0.423800 1.4735E+01 -1.4826E+01 2.8660E+00 O6 1174 15.999400 -0.847600 1.4885E+01 1.3634E+00 -1.9247E+01 H1 1175 1.008000 0.423800 1.3985E+01 9.6328E-01 -1.9073E+01 H2 1176 1.008000 0.423800 1.5413E+01 1.3770E+00 -1.8398E+01 O6 1177 15.999400 -0.847600 1.7129E+01 -1.7142E+00 7.3779E+00 H1 1178 1.008000 0.423800 1.7893E+01 -1.4848E+00 7.9808E+00 H2 1179 1.008000 0.423800 1.7368E+01 -2.5131E+00 6.8261E+00 O6 1180 15.999400 -0.847600 1.4401E+00 8.2820E+00 -5.0700E+00 H1 1181 1.008000 0.423800 1.0719E+00 7.3650E+00 -5.2240E+00 H2 1182 1.008000 0.423800 6.8625E-01 8.9270E+00 -4.9447E+00 O6 1183 15.999400 -0.847600 -1.7517E+01 -9.8934E+00 -4.2997E+00 H1 1184 1.008000 0.423800 -1.8289E+01 -1.0511E+01 -4.1504E+00 H2 1185 1.008000 0.423800 -1.6950E+01 -1.0243E+01 -5.0457E+00 O6 1186 15.999400 -0.847600 -8.8451E-01 -3.9579E+00 -3.9458E+00 H1 1187 1.008000 0.423800 -1.6233E-01 -4.0039E+00 -3.2556E+00 H2 1188 1.008000 0.423800 -9.6912E-01 -4.8452E+00 -4.3992E+00 O6 1189 15.999400 -0.847600 5.1741E+00 -3.2122E+00 -4.4586E+00 H1 1190 1.008000 0.423800 5.9345E+00 -3.7855E+00 -4.7639E+00 H2 1191 1.008000 0.423800 5.1002E+00 -2.4120E+00 -5.0537E+00 O6 1192 15.999400 -0.847600 2.6349E+00 1.1404E+01 1.3581E+00 H1 1193 1.008000 0.423800 2.0586E+00 1.0663E+01 1.7030E+00 H2 1194 1.008000 0.423800 3.5932E+00 1.1119E+01 1.3817E+00 O6 1195 15.999400 -0.847600 -1.9003E+01 -6.3420E+00 5.3604E+00 H1 1196 1.008000 0.423800 -1.8064E+01 -6.1003E+00 5.1150E+00 H2 1197 1.008000 0.423800 -1.9086E+01 -6.3859E+00 6.3559E+00 O6 1198 15.999400 -0.847600 6.8296E+00 -1.5458E+01 -1.6789E+01 H1 1199 1.008000 0.423800 6.9803E+00 -1.6446E+01 -1.6790E+01 H2 1200 1.008000 0.423800 6.5294E+00 -1.5166E+01 -1.7697E+01 O6 1201 15.999400 -0.847600 1.1325E+01 -1.5577E+01 -1.0448E+01 H1 1202 1.008000 0.423800 1.0931E+01 -1.6189E+01 -9.7615E+00 H2 1203 1.008000 0.423800 1.1863E+01 -1.6111E+01 -1.1100E+01 O6 1204 15.999400 -0.847600 -1.8177E+01 7.3617E+00 4.3324E+00 H1 1205 1.008000 0.423800 -1.8183E+01 6.7333E+00 5.1103E+00 H2 1206 1.008000 0.423800 -1.7611E+01 6.9813E+00 3.6009E+00 O6 1207 15.999400 -0.847600 -4.1596E+00 1.0002E+00 -4.6639E+00 H1 1208 1.008000 0.423800 -3.7812E+00 2.5168E-01 -4.1193E+00 H2 1209 1.008000 0.423800 -4.9857E+00 6.8690E-01 -5.1323E+00 O6 1210 15.999400 -0.847600 1.4257E+01 4.5886E+00 1.4908E+01 H1 1211 1.008000 0.423800 1.3783E+01 4.9667E+00 1.4113E+01 H2 1212 1.008000 0.423800 1.3845E+01 4.9503E+00 1.5744E+01 O6 1213 15.999400 -0.847600 1.0217E+01 7.7916E+00 -1.2692E+01 H1 1214 1.008000 0.423800 1.0769E+01 7.9191E+00 -1.3516E+01 H2 1215 1.008000 0.423800 1.0556E+01 8.3921E+00 -1.1967E+01 O6 1216 15.999400 -0.847600 2.8041E+00 7.0999E+00 -1.3642E+01 H1 1217 1.008000 0.423800 2.8542E+00 7.4957E+00 -1.4559E+01 H2 1218 1.008000 0.423800 2.9617E+00 7.8153E+00 -1.2961E+01 O6 1219 15.999400 -0.847600 8.3015E+00 -1.6154E+01 -1.1490E+01 H1 1220 1.008000 0.423800 7.3778E+00 -1.6338E+01 -1.1826E+01 H2 1221 1.008000 0.423800 8.9633E+00 -1.6336E+01 -1.2217E+01 O6 1222 15.999400 -0.847600 1.3043E+01 1.3495E+01 9.6501E+00 H1 1223 1.008000 0.423800 1.3963E+01 1.3615E+01 9.2760E+00 H2 1224 1.008000 0.423800 1.3044E+01 1.3736E+01 1.0621E+01 O6 1225 15.999400 -0.847600 5.8741E+00 2.4890E-01 7.4795E+00 H1 1226 1.008000 0.423800 5.5062E+00 1.1126E+00 7.8241E+00 H2 1227 1.008000 0.423800 6.7376E+00 4.6550E-02 7.9414E+00 O6 1228 15.999400 -0.847600 -1.1455E+00 -1.6001E+01 -1.7472E+01 H1 1229 1.008000 0.423800 -1.3139E+00 -1.5198E+01 -1.6901E+01 H2 1230 1.008000 0.423800 -1.6036E+00 -1.5885E+01 -1.8354E+01 O6 1231 15.999400 -0.847600 4.0400E+00 7.9562E+00 6.2183E+00 H1 1232 1.008000 0.423800 4.1431E+00 8.5607E+00 5.4283E+00 H2 1233 1.008000 0.423800 4.3133E+00 7.0281E+00 5.9656E+00 O6 1234 15.999400 -0.847600 -9.9271E-01 1.8150E+01 -1.8437E+01 H1 1235 1.008000 0.423800 -8.4935E-01 1.9001E+01 -1.7933E+01 H2 1236 1.008000 0.423800 -1.6854E+00 1.8294E+01 -1.9144E+01 O6 1237 15.999400 -0.847600 -1.4163E+01 1.5244E+01 -1.3848E+01 H1 1238 1.008000 0.423800 -1.4807E+01 1.4546E+01 -1.3536E+01 H2 1239 1.008000 0.423800 -1.3906E+01 1.5060E+01 -1.4797E+01 O6 1240 15.999400 -0.847600 -1.2841E+01 1.2698E+00 4.6418E+00 H1 1241 1.008000 0.423800 -1.2543E+01 2.1275E+00 5.0609E+00 H2 1242 1.008000 0.423800 -1.2208E+01 5.3779E-01 4.8953E+00 O6 1243 15.999400 -0.847600 1.2683E+01 -1.5937E+01 5.2166E+00 H1 1244 1.008000 0.423800 1.1750E+01 -1.6095E+01 5.5395E+00 H2 1245 1.008000 0.423800 1.2656E+01 -1.5469E+01 4.3337E+00 O6 1246 15.999400 -0.847600 9.6118E+00 1.1596E+01 -1.0663E+01 H1 1247 1.008000 0.423800 1.0052E+01 1.1704E+01 -9.7718E+00 H2 1248 1.008000 0.423800 8.6186E+00 1.1612E+01 -1.0548E+01 O6 1249 15.999400 -0.847600 -2.5272E+00 -1.3476E+00 1.2747E+01 H1 1250 1.008000 0.423800 -2.1371E+00 -2.2682E+00 1.2730E+01 H2 1251 1.008000 0.423800 -3.5219E+00 -1.4055E+00 1.2662E+01 O6 1252 15.999400 -0.847600 -4.8059E+00 1.3101E+01 1.6179E+01 H1 1253 1.008000 0.423800 -5.1342E+00 1.3395E+01 1.5282E+01 H2 1254 1.008000 0.423800 -5.4890E+00 1.2508E+01 1.6606E+01 O6 1255 15.999400 -0.847600 -4.7564E+00 -4.3339E+00 -1.6364E+00 H1 1256 1.008000 0.423800 -5.3218E+00 -3.5999E+00 -1.2601E+00 H2 1257 1.008000 0.423800 -3.7944E+00 -4.1505E+00 -1.4341E+00 O6 1258 15.999400 -0.847600 -4.4259E+00 -7.5485E+00 3.8312E+00 H1 1259 1.008000 0.423800 -4.9100E+00 -7.3827E+00 2.9720E+00 H2 1260 1.008000 0.423800 -4.2806E+00 -6.6799E+00 4.3048E+00 O6 1261 15.999400 -0.847600 -1.7104E+01 -1.6186E+00 1.2493E+01 H1 1262 1.008000 0.423800 -1.6743E+01 -1.7585E+00 1.3415E+01 H2 1263 1.008000 0.423800 -1.8104E+01 -1.6082E+00 1.2525E+01 O6 1264 15.999400 -0.847600 8.9661E+00 5.5090E+00 -1.5204E+01 H1 1265 1.008000 0.423800 9.2706E+00 5.3269E+00 -1.4269E+01 H2 1266 1.008000 0.423800 8.6106E+00 6.4418E+00 -1.5263E+01 O6 1267 15.999400 -0.847600 1.7090E+01 -1.8760E+01 -1.2239E+01 H1 1268 1.008000 0.423800 1.8028E+01 -1.8883E+01 -1.1913E+01 H2 1269 1.008000 0.423800 1.6840E+01 -1.9527E+01 -1.2830E+01 O6 1270 15.999400 -0.847600 -1.5118E+01 1.6504E+01 1.4007E+01 H1 1271 1.008000 0.423800 -1.5674E+01 1.5791E+01 1.3579E+01 H2 1272 1.008000 0.423800 -1.5686E+01 1.7036E+01 1.4635E+01 O6 1273 15.999400 -0.847600 -1.9453E+01 1.2220E+01 -1.8335E+01 H1 1274 1.008000 0.423800 1.8739E+01 1.1828E+01 -1.8170E+01 H2 1275 1.008000 0.423800 -1.9510E+01 1.3217E+01 -1.8300E+01 O6 1276 15.999400 -0.847600 1.8785E+01 -8.7605E+00 1.3554E+01 H1 1277 1.008000 0.423800 1.9411E+01 -8.9290E+00 1.2793E+01 H2 1278 1.008000 0.423800 1.9309E+01 -8.6573E+00 1.4400E+01 O6 1279 15.999400 -0.847600 -1.4053E+01 4.3364E+00 -4.0552E+00 H1 1280 1.008000 0.423800 -1.3448E+01 4.2533E+00 -4.8467E+00 H2 1281 1.008000 0.423800 -1.4730E+01 5.0516E+00 -4.2273E+00 O6 1282 15.999400 -0.847600 1.9235E+01 1.4921E+01 -1.8176E+01 H1 1283 1.008000 0.423800 -1.9183E+01 1.5207E+01 -1.7500E+01 H2 1284 1.008000 0.423800 1.8638E+01 1.5692E+01 -1.8396E+01 O6 1285 15.999400 -0.847600 -2.6951E+00 -1.3924E+01 -1.4651E+01 H1 1286 1.008000 0.423800 -3.1536E+00 -1.4176E+01 -1.5503E+01 H2 1287 1.008000 0.423800 -3.1117E+00 -1.3093E+01 -1.4282E+01 O6 1288 15.999400 -0.847600 1.8234E+01 -3.3748E+00 -7.5176E+00 H1 1289 1.008000 0.423800 1.8572E+01 -2.9785E+00 -8.3714E+00 H2 1290 1.008000 0.423800 1.7914E+01 -2.6440E+00 -6.9145E+00 O6 1291 15.999400 -0.847600 8.8500E-01 -1.6101E+01 -1.0419E+01 H1 1292 1.008000 0.423800 1.5042E+00 -1.6356E+01 -9.6767E+00 H2 1293 1.008000 0.423800 1.2743E+00 -1.5334E+01 -1.0929E+01 O6 1294 15.999400 -0.847600 -6.5031E-01 -1.8598E+01 -1.7428E+01 H1 1295 1.008000 0.423800 -7.3518E-01 -1.7602E+01 -1.7457E+01 H2 1296 1.008000 0.423800 2.9760E-01 -1.8846E+01 -1.7228E+01 O6 1297 15.999400 -0.847600 -2.1349E+00 1.9054E+01 1.3160E+01 H1 1298 1.008000 0.423800 -1.2318E+00 1.9039E+01 1.2730E+01 H2 1299 1.008000 0.423800 -2.2975E+00 -1.9142E+01 1.3561E+01 O6 1300 15.999400 -0.847600 -2.2708E+00 1.4053E+01 1.6964E+00 H1 1301 1.008000 0.423800 -2.9608E+00 1.3817E+01 2.3810E+00 H2 1302 1.008000 0.423800 -1.7648E+00 1.3230E+01 1.4367E+00 O6 1303 15.999400 -0.847600 4.0127E+00 -3.7244E+00 1.5312E+01 H1 1304 1.008000 0.423800 4.6507E+00 -4.4844E+00 1.5188E+01 H2 1305 1.008000 0.423800 4.0635E+00 -3.3971E+00 1.6256E+01 O6 1306 15.999400 -0.847600 1.3743E+01 -1.8293E+01 1.8518E+01 H1 1307 1.008000 0.423800 1.3575E+01 -1.8494E+01 1.7553E+01 H2 1308 1.008000 0.423800 1.3253E+01 -1.8955E+01 1.9086E+01 O6 1309 15.999400 -0.847600 5.6987E-01 7.4122E+00 -8.0548E+00 H1 1310 1.008000 0.423800 -1.8100E-01 7.7839E+00 -8.6007E+00 H2 1311 1.008000 0.423800 1.0171E+00 8.1536E+00 -7.5545E+00 O6 1312 15.999400 -0.847600 -4.9641E+00 -4.5815E+00 1.1980E+01 H1 1313 1.008000 0.423800 -5.9135E+00 -4.3509E+00 1.1767E+01 H2 1314 1.008000 0.423800 -4.9271E+00 -5.4905E+00 1.2395E+01 O6 1315 15.999400 -0.847600 -1.5164E+01 1.6591E+01 2.7869E+00 H1 1316 1.008000 0.423800 -1.5819E+01 1.7253E+01 3.1539E+00 H2 1317 1.008000 0.423800 -1.5656E+01 1.5788E+01 2.4496E+00 O6 1318 15.999400 -0.847600 -1.6888E+01 1.2794E+01 -1.6501E+00 H1 1319 1.008000 0.423800 -1.6133E+01 1.2177E+01 -1.4288E+00 H2 1320 1.008000 0.423800 -1.7591E+01 1.2294E+01 -2.1543E+00 O6 1321 15.999400 -0.847600 -1.4568E+01 4.2904E+00 -1.9351E+01 H1 1322 1.008000 0.423800 -1.5545E+01 4.5000E+00 -1.9311E+01 H2 1323 1.008000 0.423800 -1.4088E+01 4.7964E+00 -1.8635E+01 O6 1324 15.999400 -0.847600 -9.4587E+00 2.3408E+00 -2.7610E+00 H1 1325 1.008000 0.423800 -1.0386E+01 2.1692E+00 -3.0939E+00 H2 1326 1.008000 0.423800 -9.5011E+00 2.7169E+00 -1.8355E+00 O6 1327 15.999400 -0.847600 -4.2273E+00 -4.7016E+00 1.5731E+01 H1 1328 1.008000 0.423800 -3.4057E+00 -5.2562E+00 1.5600E+01 H2 1329 1.008000 0.423800 -5.0350E+00 -5.2404E+00 1.5492E+01 O6 1330 15.999400 -0.847600 1.4367E+01 -9.2263E+00 1.9365E+01 H1 1331 1.008000 0.423800 1.4622E+01 -8.3397E+00 -1.9347E+01 H2 1332 1.008000 0.423800 1.5187E+01 -9.6961E+00 1.9038E+01 O6 1333 15.999400 -0.847600 -6.5380E+00 1.8019E+01 1.8860E+01 H1 1334 1.008000 0.423800 -5.6124E+00 1.8395E+01 1.8818E+01 H2 1335 1.008000 0.423800 -6.9830E+00 1.8322E+01 -1.9395E+01 O6 1336 15.999400 -0.847600 -7.1823E+00 1.2294E+01 -1.1741E+01 H1 1337 1.008000 0.423800 -6.7358E+00 1.2859E+01 -1.1047E+01 H2 1338 1.008000 0.423800 -6.4907E+00 1.1906E+01 -1.2350E+01 O6 1339 15.999400 -0.847600 1.4428E+01 -1.6053E+01 1.1739E+01 H1 1340 1.008000 0.423800 1.4942E+01 -1.6351E+01 1.0934E+01 H2 1341 1.008000 0.423800 1.4370E+01 -1.5055E+01 1.1748E+01 O6 1342 15.999400 -0.847600 -7.5932E+00 1.3790E+00 -1.5768E+01 H1 1343 1.008000 0.423800 -7.7764E+00 1.8833E+00 -1.6612E+01 H2 1344 1.008000 0.423800 -7.4128E+00 2.0249E+00 -1.5027E+01 O6 1345 15.999400 -0.847600 8.5986E+00 -1.7739E+01 -1.9503E+01 H1 1346 1.008000 0.423800 7.6832E+00 -1.8096E+01 -1.9318E+01 H2 1347 1.008000 0.423800 9.1890E+00 -1.7912E+01 -1.8714E+01 O6 1348 15.999400 -0.847600 1.6377E+01 -1.9288E+00 -1.5766E+01 H1 1349 1.008000 0.423800 1.5395E+01 -2.1165E+00 -1.5753E+01 H2 1350 1.008000 0.423800 1.6693E+01 -1.8746E+00 -1.6713E+01 O6 1351 15.999400 -0.847600 9.6349E+00 6.6450E+00 1.8093E+01 H1 1352 1.008000 0.423800 1.0568E+01 6.8917E+00 1.8355E+01 H2 1353 1.008000 0.423800 9.3025E+00 7.2857E+00 1.7401E+01 O6 1354 15.999400 -0.847600 1.4063E+00 5.0601E+00 1.6677E+01 H1 1355 1.008000 0.423800 8.9306E-01 5.7337E+00 1.6145E+01 H2 1356 1.008000 0.423800 1.5347E+00 5.3990E+00 1.7609E+01 O6 1357 15.999400 -0.847600 9.6682E+00 1.4256E+01 1.2262E+01 H1 1358 1.008000 0.423800 9.6379E+00 1.3964E+01 1.1306E+01 H2 1359 1.008000 0.423800 9.7021E+00 1.3451E+01 1.2855E+01 O6 1360 15.999400 -0.847600 -9.1176E+00 -2.6858E+00 -8.1500E-01 H1 1361 1.008000 0.423800 -9.9370E+00 -2.1785E+00 -1.0820E+00 H2 1362 1.008000 0.423800 -9.3270E+00 -3.6631E+00 -7.8120E-01 O6 1363 15.999400 -0.847600 -4.3529E+00 5.6530E+00 3.2778E+00 H1 1364 1.008000 0.423800 -4.1999E+00 4.7803E+00 3.7416E+00 H2 1365 1.008000 0.423800 -3.4906E+00 5.9810E+00 2.8920E+00 O6 1366 15.999400 -0.847600 4.1078E+00 9.7983E+00 -1.8522E+01 H1 1367 1.008000 0.423800 3.3852E+00 1.0174E+01 -1.9102E+01 H2 1368 1.008000 0.423800 4.1890E+00 8.8152E+00 -1.8686E+01 O6 1369 15.999400 -0.847600 -5.7021E+00 1.1408E-01 -4.4747E-01 H1 1370 1.008000 0.423800 -5.9344E+00 5.8072E-01 -1.3009E+00 H2 1371 1.008000 0.423800 -6.4052E+00 3.0319E-01 2.3791E-01 O6 1372 15.999400 -0.847600 8.0413E-01 -1.9443E+01 1.2430E+01 H1 1373 1.008000 0.423800 5.5939E-01 -1.8489E+01 1.2256E+01 H2 1374 1.008000 0.423800 1.7927E+00 1.9541E+01 1.2331E+01 O6 1375 15.999400 -0.847600 -1.1609E+01 1.9289E+01 9.6393E+00 H1 1376 1.008000 0.423800 -1.2093E+01 1.8678E+01 1.0266E+01 H2 1377 1.008000 0.423800 -1.2012E+01 1.9219E+01 8.7271E+00 O6 1378 15.999400 -0.847600 1.9153E+01 4.6188E+00 -1.8781E+01 H1 1379 1.008000 0.423800 1.9300E+01 4.4804E+00 -1.7802E+01 H2 1380 1.008000 0.423800 1.8730E+01 5.5126E+00 -1.8932E+01 O6 1381 15.999400 -0.847600 1.4968E+01 8.1567E+00 -9.4715E+00 H1 1382 1.008000 0.423800 1.5296E+01 9.0169E+00 -9.8615E+00 H2 1383 1.008000 0.423800 1.4164E+01 8.3337E+00 -8.9039E+00 O6 1384 15.999400 -0.847600 1.2251E+01 -8.4719E-01 1.7660E+01 H1 1385 1.008000 0.423800 1.1744E+01 -7.4441E-01 1.8516E+01 H2 1386 1.008000 0.423800 1.2405E+01 -1.8184E+00 1.7479E+01 O6 1387 15.999400 -0.847600 -8.3230E-01 9.7422E+00 -5.0599E+00 H1 1388 1.008000 0.423800 -7.2050E-01 1.0731E+01 -4.9567E+00 H2 1389 1.008000 0.423800 -1.7855E+00 9.5359E+00 -5.2810E+00 O6 1390 15.999400 -0.847600 -1.9784E+00 -5.8672E+00 1.0030E+01 H1 1391 1.008000 0.423800 -1.4262E+00 -5.6312E+00 9.2304E+00 H2 1392 1.008000 0.423800 -2.7548E+00 -5.2404E+00 1.0096E+01 O6 1393 15.999400 -0.847600 1.7521E+01 1.1221E+01 -4.6185E+00 H1 1394 1.008000 0.423800 1.8046E+01 1.0373E+01 -4.6976E+00 H2 1395 1.008000 0.423800 1.8144E+01 1.2002E+01 -4.6550E+00 O6 1396 15.999400 -0.847600 -9.4205E+00 -1.1879E+01 3.1841E+00 H1 1397 1.008000 0.423800 -9.7844E+00 -1.2722E+01 2.7886E+00 H2 1398 1.008000 0.423800 -9.2007E+00 -1.2030E+01 4.1477E+00 O6 1399 15.999400 -0.847600 2.5590E+00 1.6898E+01 -2.1438E+00 H1 1400 1.008000 0.423800 2.9656E+00 1.6087E+01 -1.7222E+00 H2 1401 1.008000 0.423800 3.2746E+00 1.7437E+01 -2.5880E+00 O6 1402 15.999400 -0.847600 -5.7489E+00 4.7052E+00 -5.3271E+00 H1 1403 1.008000 0.423800 -6.2183E+00 5.2208E+00 -4.6102E+00 H2 1404 1.008000 0.423800 -5.5635E+00 5.3073E+00 -6.1036E+00 O6 1405 15.999400 -0.847600 -1.8921E+01 1.1368E+01 -2.7302E+00 H1 1406 1.008000 0.423800 -1.9497E+01 1.0566E+01 -2.8926E+00 H2 1407 1.008000 0.423800 -1.8966E+01 1.1976E+01 -3.5226E+00 O6 1408 15.999400 -0.847600 -5.9552E+00 -1.4048E+01 1.0683E+01 H1 1409 1.008000 0.423800 -6.6970E+00 -1.4634E+01 1.0357E+01 H2 1410 1.008000 0.423800 -5.1922E+00 -1.4616E+01 1.0991E+01 O6 1411 15.999400 -0.847600 -5.4550E+00 1.2368E+01 4.5369E+00 H1 1412 1.008000 0.423800 -5.9927E+00 1.2317E+01 3.6953E+00 H2 1413 1.008000 0.423800 -4.6343E+00 1.2916E+01 4.3752E+00 O6 1414 15.999400 -0.847600 1.9123E+01 -1.1416E+01 -1.7291E+01 H1 1415 1.008000 0.423800 1.8362E+01 -1.2051E+01 -1.7421E+01 H2 1416 1.008000 0.423800 -1.9543E+01 -1.1228E+01 -1.8173E+01 O6 1417 15.999400 -0.847600 1.5736E+01 -7.1193E+00 -2.4152E+00 H1 1418 1.008000 0.423800 1.5035E+01 -6.7796E+00 -1.7876E+00 H2 1419 1.008000 0.423800 1.5303E+01 -7.6625E+00 -3.1349E+00 O6 1420 15.999400 -0.847600 1.4767E+01 1.7675E+01 -1.9333E+01 H1 1421 1.008000 0.423800 1.4083E+01 1.8372E+01 -1.9113E+01 H2 1422 1.008000 0.423800 1.4509E+01 1.6809E+01 -1.8906E+01 O6 1423 15.999400 -0.847600 5.8804E+00 1.3265E+01 2.5661E+00 H1 1424 1.008000 0.423800 5.3540E+00 1.4096E+01 2.3880E+00 H2 1425 1.008000 0.423800 6.4424E+00 1.3049E+01 1.7677E+00 O6 1426 15.999400 -0.847600 -4.9559E+00 -5.0050E+00 5.0397E+00 H1 1427 1.008000 0.423800 -4.7687E+00 -4.3194E+00 5.7432E+00 H2 1428 1.008000 0.423800 -5.0012E+00 -4.5607E+00 4.1450E+00 O6 1429 15.999400 -0.847600 7.7021E+00 1.4821E+01 -1.8155E+01 H1 1430 1.008000 0.423800 8.4788E+00 1.5173E+01 -1.7633E+01 H2 1431 1.008000 0.423800 7.6960E+00 1.3822E+01 -1.8109E+01 O6 1432 15.999400 -0.847600 -8.8975E+00 8.6350E+00 -1.8046E+01 H1 1433 1.008000 0.423800 -8.7185E+00 9.0652E+00 -1.7161E+01 H2 1434 1.008000 0.423800 -8.1167E+00 8.7834E+00 -1.8653E+01 O6 1435 15.999400 -0.847600 -7.2481E+00 -1.0568E+00 -1.9297E+01 H1 1436 1.008000 0.423800 -6.5907E+00 -1.7634E+00 1.9539E+01 H2 1437 1.008000 0.423800 -6.9304E+00 -1.6754E-01 1.9472E+01 O6 1438 15.999400 -0.847600 -1.2150E+01 8.6807E+00 -1.4019E+01 H1 1439 1.008000 0.423800 -1.2842E+01 9.2924E+00 -1.4401E+01 H2 1440 1.008000 0.423800 -1.1242E+01 9.0775E+00 -1.4157E+01 O6 1441 15.999400 -0.847600 -3.6963E+00 1.0167E+01 2.1083E+00 H1 1442 1.008000 0.423800 -2.8291E+00 1.0377E+01 2.5596E+00 H2 1443 1.008000 0.423800 -4.2153E+00 9.5208E+00 2.6684E+00 O6 1444 15.999400 -0.847600 1.0763E+01 6.3470E+00 -8.0758E+00 H1 1445 1.008000 0.423800 1.0338E+01 6.1800E+00 -8.9656E+00 H2 1446 1.008000 0.423800 1.0988E+01 7.3177E+00 -7.9905E+00 O6 1447 15.999400 -0.847600 1.4583E+00 1.7162E+01 1.7553E+01 H1 1448 1.008000 0.423800 2.1343E+00 1.6496E+01 1.7238E+01 H2 1449 1.008000 0.423800 7.6028E-01 1.6697E+01 1.8097E+01 O6 1450 15.999400 -0.847600 1.5889E+01 -1.1516E+01 -7.1019E+00 H1 1451 1.008000 0.423800 1.6843E+01 -1.1308E+01 -6.8872E+00 H2 1452 1.008000 0.423800 1.5773E+01 -1.2506E+01 -7.1801E+00 O6 1453 15.999400 -0.847600 8.2084E+00 2.0630E+00 -1.3704E+01 H1 1454 1.008000 0.423800 7.3313E+00 2.3716E+00 -1.3336E+01 H2 1455 1.008000 0.423800 8.2393E+00 2.2436E+00 -1.4687E+01 O6 1456 15.999400 -0.847600 1.4320E+01 -2.2247E-01 3.1989E-01 H1 1457 1.008000 0.423800 1.3922E+01 5.9754E-01 -9.1843E-02 H2 1458 1.008000 0.423800 1.5026E+01 4.3085E-02 9.7628E-01 O6 1459 15.999400 -0.847600 -1.6277E+01 -1.7409E+01 -1.6119E+01 H1 1460 1.008000 0.423800 -1.5678E+01 -1.7185E+01 -1.6888E+01 H2 1461 1.008000 0.423800 -1.6298E+01 -1.6641E+01 -1.5478E+01 O6 1462 15.999400 -0.847600 1.9161E+01 -1.6273E+01 1.1992E+01 H1 1463 1.008000 0.423800 -1.9176E+01 -1.6377E+01 1.2634E+01 H2 1464 1.008000 0.423800 1.9325E+01 -1.6843E+01 1.1187E+01 O6 1465 15.999400 -0.847600 -1.9454E+01 6.3671E+00 -2.8875E+00 H1 1466 1.008000 0.423800 -1.8656E+01 6.9406E+00 -3.0752E+00 H2 1467 1.008000 0.423800 -1.9363E+01 5.9575E+00 -1.9797E+00 O6 1468 15.999400 -0.847600 9.2742E+00 2.5219E+00 1.4074E+01 H1 1469 1.008000 0.423800 8.8963E+00 3.0189E+00 1.4855E+01 H2 1470 1.008000 0.423800 8.8797E+00 1.6036E+00 1.4041E+01 O6 1471 15.999400 -0.847600 8.5233E+00 1.5929E+01 1.6535E+01 H1 1472 1.008000 0.423800 9.3687E+00 1.5580E+01 1.6939E+01 H2 1473 1.008000 0.423800 8.4804E+00 1.5665E+01 1.5571E+01 O6 1474 15.999400 -0.847600 -1.7617E+01 -1.6173E+01 1.8707E+01 H1 1475 1.008000 0.423800 -1.7920E+01 -1.7073E+01 1.8392E+01 H2 1476 1.008000 0.423800 -1.6712E+01 -1.5975E+01 1.8330E+01 O6 1477 15.999400 -0.847600 3.6199E+00 1.8481E+00 -1.6793E+01 H1 1478 1.008000 0.423800 3.6629E+00 9.9921E-01 -1.6266E+01 H2 1479 1.008000 0.423800 3.3853E+00 1.6395E+00 -1.7742E+01 O6 1480 15.999400 -0.847600 -7.4908E+00 -1.1821E+01 -1.2805E+01 H1 1481 1.008000 0.423800 -7.7346E+00 -1.1769E+01 -1.3773E+01 H2 1482 1.008000 0.423800 -6.5247E+00 -1.1589E+01 -1.2691E+01 O6 1483 15.999400 -0.847600 -1.7316E+00 8.9775E+00 1.8539E+01 H1 1484 1.008000 0.423800 -1.4090E+00 9.1908E+00 1.7617E+01 H2 1485 1.008000 0.423800 -1.7952E+00 9.8205E+00 1.9073E+01 O6 1486 15.999400 -0.847600 1.5705E+01 -1.7971E+01 -7.0650E+00 H1 1487 1.008000 0.423800 1.4932E+01 -1.8230E+01 -6.4851E+00 H2 1488 1.008000 0.423800 1.5947E+01 -1.7017E+01 -6.8920E+00 O6 1489 15.999400 -0.847600 7.3336E+00 -1.7884E+00 -1.2377E+01 H1 1490 1.008000 0.423800 7.4358E+00 -2.2421E+00 -1.1492E+01 H2 1491 1.008000 0.423800 8.0748E+00 -1.1286E+00 -1.2501E+01 O6 1492 15.999400 -0.847600 -1.3019E+01 -1.0226E+00 1.0568E+01 H1 1493 1.008000 0.423800 -1.2541E+01 -1.6483E+00 9.9514E+00 H2 1494 1.008000 0.423800 -1.3233E+01 -1.4954E+00 1.1423E+01 O6 1495 15.999400 -0.847600 -1.4336E+01 -1.8883E+01 1.2923E+01 H1 1496 1.008000 0.423800 -1.4764E+01 -1.9504E+01 1.2266E+01 H2 1497 1.008000 0.423800 -1.3447E+01 -1.9250E+01 1.3197E+01 O6 1498 15.999400 -0.847600 9.4351E+00 -1.9310E+01 -3.7976E+00 H1 1499 1.008000 0.423800 8.5934E+00 -1.9138E+01 -3.2859E+00 H2 1500 1.008000 0.423800 1.0106E+01 1.9350E+01 -3.1982E+00 O6 1501 15.999400 -0.847600 -1.6248E+01 -1.2681E+01 -4.1617E+00 H1 1502 1.008000 0.423800 -1.5487E+01 -1.3327E+01 -4.2211E+00 H2 1503 1.008000 0.423800 -1.6472E+01 -1.2345E+01 -5.0766E+00 O6 1504 15.999400 -0.847600 1.2296E+01 1.7386E+01 2.9789E+00 H1 1505 1.008000 0.423800 1.2980E+01 1.6673E+01 2.8288E+00 H2 1506 1.008000 0.423800 1.2669E+01 1.8083E+01 3.5912E+00 O6 1507 15.999400 -0.847600 1.7526E+01 -1.0413E+01 -9.7786E+00 H1 1508 1.008000 0.423800 1.8157E+01 -1.1115E+01 -1.0108E+01 H2 1509 1.008000 0.423800 1.6908E+01 -1.0146E+01 -1.0518E+01 O6 1510 15.999400 -0.847600 -9.5184E+00 1.0611E+01 -1.7656E+00 H1 1511 1.008000 0.423800 -1.0074E+01 1.1359E+01 -2.1279E+00 H2 1512 1.008000 0.423800 -8.5497E+00 1.0846E+01 -1.8438E+00 O6 1513 15.999400 -0.847600 7.6181E+00 -1.3321E+01 1.0369E+01 H1 1514 1.008000 0.423800 6.8096E+00 -1.3421E+01 1.0949E+01 H2 1515 1.008000 0.423800 7.8146E+00 -1.2350E+01 1.0236E+01 O6 1516 15.999400 -0.847600 -8.2217E+00 -1.1735E+01 -1.0893E-01 H1 1517 1.008000 0.423800 -7.2225E+00 -1.1695E+01 -1.0448E-01 H2 1518 1.008000 0.423800 -8.5924E+00 -1.0806E+01 -1.2001E-01 O6 1519 15.999400 -0.847600 8.2146E+00 -6.4653E-01 1.8784E+01 H1 1520 1.008000 0.423800 9.1565E+00 -9.7932E-01 1.8737E+01 H2 1521 1.008000 0.423800 8.1831E+00 1.8843E-01 1.9333E+01 O6 1522 15.999400 -0.847600 1.9297E+01 1.3195E+01 -5.0105E+00 H1 1523 1.008000 0.423800 -1.8818E+01 1.3009E+01 -5.0432E+00 H2 1524 1.008000 0.423800 1.8902E+01 1.3062E+01 -5.9194E+00 O6 1525 15.999400 -0.847600 -1.6170E+01 -1.2861E+01 1.2576E+01 H1 1526 1.008000 0.423800 -1.5712E+01 -1.2580E+01 1.1733E+01 H2 1527 1.008000 0.423800 -1.7101E+01 -1.2494E+01 1.2588E+01 O6 1528 15.999400 -0.847600 7.5884E+00 1.9215E+01 9.7626E+00 H1 1529 1.008000 0.423800 7.8917E+00 1.8268E+01 9.8663E+00 H2 1530 1.008000 0.423800 8.3472E+00 -1.9265E+01 9.9700E+00 O6 1531 15.999400 -0.847600 -1.0298E+01 1.1386E+01 -5.4029E+00 H1 1532 1.008000 0.423800 -1.0328E+01 1.2048E+01 -6.1515E+00 H2 1533 1.008000 0.423800 -1.1016E+01 1.0703E+01 -5.5325E+00 O6 1534 15.999400 -0.847600 1.5110E+01 -1.8890E+01 -9.9728E+00 H1 1535 1.008000 0.423800 1.5942E+01 -1.8575E+01 -1.0430E+01 H2 1536 1.008000 0.423800 1.5300E+01 -1.9043E+01 -9.0029E+00 O6 1537 15.999400 -0.847600 1.6157E+01 -1.7241E+01 9.6356E+00 H1 1538 1.008000 0.423800 1.6241E+01 -1.6600E+01 8.8731E+00 H2 1539 1.008000 0.423800 1.5630E+01 -1.8039E+01 9.3432E+00 O6 1540 15.999400 -0.847600 3.3598E+00 1.8848E+01 1.2050E+01 H1 1541 1.008000 0.423800 4.0469E+00 1.9061E+01 1.2745E+01 H2 1542 1.008000 0.423800 3.8144E+00 1.8530E+01 1.1219E+01 O6 1543 15.999400 -0.847600 1.5448E+01 1.1481E+01 -1.5631E+01 H1 1544 1.008000 0.423800 1.4639E+01 1.2043E+01 -1.5462E+01 H2 1545 1.008000 0.423800 1.5182E+01 1.0655E+01 -1.6129E+01 O6 1546 15.999400 -0.847600 7.6550E+00 8.6981E+00 4.2766E+00 H1 1547 1.008000 0.423800 7.3586E+00 7.9083E+00 3.7396E+00 H2 1548 1.008000 0.423800 7.5653E+00 8.4912E+00 5.2508E+00 O6 1549 15.999400 -0.847600 -1.4595E+01 1.2111E+01 6.4472E+00 H1 1550 1.008000 0.423800 -1.5513E+01 1.1782E+01 6.2268E+00 H2 1551 1.008000 0.423800 -1.4088E+01 1.2275E+01 5.6012E+00 O6 1552 15.999400 -0.847600 -1.3563E+01 7.4325E+00 -1.2219E+01 H1 1553 1.008000 0.423800 -1.3198E+01 7.9421E+00 -1.2998E+01 H2 1554 1.008000 0.423800 -1.4235E+01 6.7664E+00 -1.2542E+01 O6 1555 15.999400 -0.847600 8.3973E+00 1.5033E+01 3.7069E+00 H1 1556 1.008000 0.423800 8.6876E+00 1.5853E+01 4.1992E+00 H2 1557 1.008000 0.423800 8.2545E+00 1.4287E+01 4.3574E+00 O6 1558 15.999400 -0.847600 1.1879E+01 -1.5776E+01 9.8443E+00 H1 1559 1.008000 0.423800 1.2611E+01 -1.5765E+01 9.1632E+00 H2 1560 1.008000 0.423800 1.1117E+01 -1.6329E+01 9.5058E+00 O6 1561 15.999400 -0.847600 -1.6527E+01 -3.9873E+00 2.1857E+00 H1 1562 1.008000 0.423800 -1.6544E+01 -3.0005E+00 2.3468E+00 H2 1563 1.008000 0.423800 -1.5735E+01 -4.2198E+00 1.6213E+00 O6 1564 15.999400 -0.847600 -8.5250E+00 2.9550E+00 -1.7917E+01 H1 1565 1.008000 0.423800 -7.9654E+00 2.6640E+00 -1.8693E+01 H2 1566 1.008000 0.423800 -8.8423E+00 3.8913E+00 -1.8068E+01 O6 1567 15.999400 -0.847600 -1.0699E+00 -1.8556E+01 1.8242E+01 H1 1568 1.008000 0.423800 -1.3796E+00 -1.8224E+01 1.9133E+01 H2 1569 1.008000 0.423800 -8.0438E-01 -1.7779E+01 1.7670E+01 O6 1570 15.999400 -0.847600 -9.6513E+00 -2.2615E+00 1.7769E+01 H1 1571 1.008000 0.423800 -9.6007E+00 -1.5907E+00 1.8509E+01 H2 1572 1.008000 0.423800 -9.3677E+00 -1.8334E+00 1.6911E+01 O6 1573 15.999400 -0.847600 -1.2416E+00 -3.8381E+00 -1.0442E+01 H1 1574 1.008000 0.423800 -1.0715E+00 -3.0683E+00 -9.8265E+00 H2 1575 1.008000 0.423800 -1.6818E+00 -4.5791E+00 -9.9347E+00 O6 1576 15.999400 -0.847600 1.5164E+01 -6.8477E+00 -1.8446E+01 H1 1577 1.008000 0.423800 1.4936E+01 -6.0931E+00 -1.7831E+01 H2 1578 1.008000 0.423800 1.6046E+01 -6.6682E+00 -1.8880E+01 O6 1579 15.999400 -0.847600 -1.0393E+01 -5.6570E+00 -9.7458E+00 H1 1580 1.008000 0.423800 -1.0541E+01 -6.2297E+00 -1.0552E+01 H2 1581 1.008000 0.423800 -9.4341E+00 -5.3739E+00 -9.7105E+00 O6 1582 15.999400 -0.847600 -5.0918E+00 -1.8451E+00 1.2422E+01 H1 1583 1.008000 0.423800 -5.9431E+00 -1.5742E+00 1.2871E+01 H2 1584 1.008000 0.423800 -5.0303E+00 -2.8429E+00 1.2398E+01 O6 1585 15.999400 -0.847600 1.1748E+01 -2.4155E+00 1.5024E+01 H1 1586 1.008000 0.423800 1.1399E+01 -1.4784E+00 1.5027E+01 H2 1587 1.008000 0.423800 1.1831E+01 -2.7377E+00 1.4081E+01 O6 1588 15.999400 -0.847600 5.0213E+00 1.2828E+01 1.2857E+01 H1 1589 1.008000 0.423800 5.4072E+00 1.3273E+01 1.3666E+01 H2 1590 1.008000 0.423800 5.4526E+00 1.1935E+01 1.2730E+01 O6 1591 15.999400 -0.847600 1.4237E+01 -8.3650E+00 -1.2221E+01 H1 1592 1.008000 0.423800 1.3414E+01 -8.3116E+00 -1.1656E+01 H2 1593 1.008000 0.423800 1.4992E+01 -7.9044E+00 -1.1755E+01 O6 1594 15.999400 -0.847600 8.3003E-01 1.8593E+00 1.0836E+01 H1 1595 1.008000 0.423800 -9.8720E-03 1.4044E+00 1.1132E+01 H2 1596 1.008000 0.423800 1.4472E+00 1.9601E+00 1.1616E+01 O6 1597 15.999400 -0.847600 -1.2214E+01 1.5886E+00 9.8443E+00 H1 1598 1.008000 0.423800 -1.2618E+01 7.4019E-01 1.0187E+01 H2 1599 1.008000 0.423800 -1.2864E+01 2.0453E+00 9.2372E+00 O6 1600 15.999400 -0.847600 1.7685E+01 -1.3291E+01 1.8921E+01 H1 1601 1.008000 0.423800 1.7415E+01 -1.3307E+01 -1.9213E+01 H2 1602 1.008000 0.423800 1.8497E+01 -1.3859E+01 1.8793E+01 O6 1603 15.999400 -0.847600 1.8545E+01 -1.8614E+00 -9.7519E+00 H1 1604 1.008000 0.423800 1.9475E+01 -1.7086E+00 -1.0086E+01 H2 1605 1.008000 0.423800 1.8214E+01 -1.0346E+00 -9.2970E+00 O6 1606 15.999400 -0.847600 -2.6359E-01 1.5997E+01 6.8614E+00 H1 1607 1.008000 0.423800 3.5782E-01 1.5371E+01 6.3903E+00 H2 1608 1.008000 0.423800 -9.7718E-01 1.6298E+01 6.2286E+00 O6 1609 15.999400 -0.847600 1.2228E+01 4.8032E+00 -9.8797E-01 H1 1610 1.008000 0.423800 1.2703E+01 5.2234E+00 -1.7608E+00 H2 1611 1.008000 0.423800 1.2106E+01 5.4811E+00 -2.6294E-01 O6 1612 15.999400 -0.847600 -4.4150E-01 -8.5566E+00 -1.2205E+01 H1 1613 1.008000 0.423800 -7.4823E-01 -9.5075E+00 -1.2247E+01 H2 1614 1.008000 0.423800 -1.0405E+00 -7.9885E+00 -1.2770E+01 O6 1615 15.999400 -0.847600 -2.6322E+00 -1.5617E+01 1.3759E+01 H1 1616 1.008000 0.423800 -1.7985E+00 -1.5105E+01 1.3551E+01 H2 1617 1.008000 0.423800 -2.4235E+00 -1.6342E+01 1.4415E+01 O6 1618 15.999400 -0.847600 9.9634E+00 1.1830E+01 4.5249E-01 H1 1619 1.008000 0.423800 9.5743E+00 1.1137E+01 1.0595E+00 H2 1620 1.008000 0.423800 1.0795E+01 1.2204E+01 8.6365E-01 O6 1621 15.999400 -0.847600 1.5091E+01 -1.4076E+01 -7.7167E+00 H1 1622 1.008000 0.423800 1.4441E+01 -1.4456E+01 -7.0588E+00 H2 1623 1.008000 0.423800 1.4595E+01 -1.3558E+01 -8.4139E+00 O6 1624 15.999400 -0.847600 -1.6400E+01 7.7118E+00 1.9049E+01 H1 1625 1.008000 0.423800 -1.7309E+01 7.5614E+00 1.8660E+01 H2 1626 1.008000 0.423800 -1.5774E+01 8.0073E+00 1.8327E+01 O6 1627 15.999400 -0.847600 7.1743E+00 7.4706E+00 1.2543E+01 H1 1628 1.008000 0.423800 6.4606E+00 6.9061E+00 1.2128E+01 H2 1629 1.008000 0.423800 7.0687E+00 7.4643E+00 1.3537E+01 O6 1630 15.999400 -0.847600 -1.6855E+00 -8.9473E+00 -1.5833E+01 H1 1631 1.008000 0.423800 -1.0478E+00 -8.9845E+00 -1.6602E+01 H2 1632 1.008000 0.423800 -1.4915E+00 -9.6991E+00 -1.5202E+01 O6 1633 15.999400 -0.847600 -2.1324E+00 8.8182E+00 -1.2880E+01 H1 1634 1.008000 0.423800 -1.3854E+00 8.1756E+00 -1.2710E+01 H2 1635 1.008000 0.423800 -3.0042E+00 8.3289E+00 -1.2859E+01 O6 1636 15.999400 -0.847600 -1.1855E+01 -5.9090E+00 -1.9131E+01 H1 1637 1.008000 0.423800 -1.1055E+01 -5.9207E+00 -1.8531E+01 H2 1638 1.008000 0.423800 -1.2643E+01 -6.2856E+00 -1.8643E+01 O6 1639 15.999400 -0.847600 6.7637E+00 6.5449E+00 2.8428E+00 H1 1640 1.008000 0.423800 6.0451E+00 5.8900E+00 3.0765E+00 H2 1641 1.008000 0.423800 7.6435E+00 6.0718E+00 2.7965E+00 O6 1642 15.999400 -0.847600 -1.2298E+01 7.6622E+00 1.7396E+01 H1 1643 1.008000 0.423800 -1.1738E+01 7.8437E+00 1.8204E+01 H2 1644 1.008000 0.423800 -1.1807E+01 7.9570E+00 1.6577E+01 O6 1645 15.999400 -0.847600 1.0876E+01 -7.6247E+00 -6.9145E+00 H1 1646 1.008000 0.423800 1.1458E+01 -7.4256E+00 -6.1256E+00 H2 1647 1.008000 0.423800 1.0429E+01 -6.7839E+00 -7.2193E+00 O6 1648 15.999400 -0.847600 -7.8683E+00 -1.1594E+01 -1.5544E+01 H1 1649 1.008000 0.423800 -8.4947E+00 -1.1740E+01 -1.6310E+01 H2 1650 1.008000 0.423800 -6.9922E+00 -1.1258E+01 -1.5890E+01 O6 1651 15.999400 -0.847600 3.6298E+00 8.4542E+00 1.7071E+01 H1 1652 1.008000 0.423800 3.8409E+00 9.2207E+00 1.7678E+01 H2 1653 1.008000 0.423800 3.1441E+00 7.7468E+00 1.7585E+01 O6 1654 15.999400 -0.847600 -8.5692E+00 -4.8799E+00 1.4598E+01 H1 1655 1.008000 0.423800 -8.0922E+00 -5.4648E+00 1.5254E+01 H2 1656 1.008000 0.423800 -9.5457E+00 -5.0949E+00 1.4608E+01 O6 1657 15.999400 -0.847600 -3.1104E+00 -3.2640E+00 -6.6328E+00 H1 1658 1.008000 0.423800 -3.5946E+00 -2.7588E+00 -5.9184E+00 H2 1659 1.008000 0.423800 -3.0466E+00 -2.6992E+00 -7.4555E+00 O6 1660 15.999400 -0.847600 -1.4653E+01 -8.0344E+00 7.6286E+00 H1 1661 1.008000 0.423800 -1.3850E+01 -8.1396E+00 8.2150E+00 H2 1662 1.008000 0.423800 -1.4362E+01 -7.7675E+00 6.7099E+00 O6 1663 15.999400 -0.847600 -4.8572E+00 1.0836E+01 -8.0192E+00 H1 1664 1.008000 0.423800 -4.4744E+00 1.0992E+01 -8.9298E+00 H2 1665 1.008000 0.423800 -4.6975E+00 1.1642E+01 -7.4485E+00 O6 1666 15.999400 -0.847600 1.3779E+01 1.2878E+01 -1.9536E+01 H1 1667 1.008000 0.423800 1.4319E+01 1.3444E+01 -1.8913E+01 H2 1668 1.008000 0.423800 1.3553E+01 1.3406E+01 1.8743E+01 O6 1669 15.999400 -0.847600 -7.9024E+00 1.4443E+01 -1.7623E+00 H1 1670 1.008000 0.423800 -7.5415E+00 1.5299E+01 -1.3920E+00 H2 1671 1.008000 0.423800 -8.9013E+00 1.4485E+01 -1.7845E+00 O6 1672 15.999400 -0.847600 1.0146E+01 -2.0140E+00 9.1619E+00 H1 1673 1.008000 0.423800 9.2716E+00 -2.4770E+00 9.3074E+00 H2 1674 1.008000 0.423800 1.0311E+01 -1.9143E+00 8.1807E+00 O6 1675 15.999400 -0.847600 1.9307E+01 1.4782E+00 -1.7605E+01 H1 1676 1.008000 0.423800 -1.8887E+01 1.0496E+00 -1.7609E+01 H2 1677 1.008000 0.423800 1.9406E+01 2.4631E+00 -1.7463E+01 O6 1678 15.999400 -0.847600 5.9949E+00 1.6887E+01 -1.9125E+01 H1 1679 1.008000 0.423800 6.7184E+00 1.6254E+01 -1.8849E+01 H2 1680 1.008000 0.423800 5.1886E+00 1.6742E+01 -1.8551E+01 O6 1681 15.999400 -0.847600 5.5261E+00 -1.0138E+01 -1.1848E+01 H1 1682 1.008000 0.423800 4.6335E+00 -1.0418E+01 -1.1495E+01 H2 1683 1.008000 0.423800 5.4505E+00 -9.2311E+00 -1.2263E+01 O6 1684 15.999400 -0.847600 -1.6804E+01 6.9766E+00 -9.2237E+00 H1 1685 1.008000 0.423800 -1.5890E+01 6.8498E+00 -8.8379E+00 H2 1686 1.008000 0.423800 -1.6800E+01 7.7652E+00 -9.8386E+00 O6 1687 15.999400 -0.847600 8.0156E+00 1.6012E+01 1.3871E+01 H1 1688 1.008000 0.423800 8.6962E+00 1.5490E+01 1.3356E+01 H2 1689 1.008000 0.423800 7.7506E+00 1.6822E+01 1.3348E+01 O6 1690 15.999400 -0.847600 -7.2079E+00 -1.6377E+01 1.5337E+01 H1 1691 1.008000 0.423800 -7.2793E+00 -1.7094E+01 1.4645E+01 H2 1692 1.008000 0.423800 -6.8866E+00 -1.5532E+01 1.4910E+01 O6 1693 15.999400 -0.847600 1.4656E+01 1.5029E+01 6.2759E+00 H1 1694 1.008000 0.423800 1.5067E+01 1.4286E+01 5.7477E+00 H2 1695 1.008000 0.423800 1.5376E+01 1.5545E+01 6.7404E+00 O6 1696 15.999400 -0.847600 1.8084E+01 -1.9357E+01 -6.5207E+00 H1 1697 1.008000 0.423800 1.8155E+01 -1.9100E+01 -5.5567E+00 H2 1698 1.008000 0.423800 1.7301E+01 -1.8890E+01 -6.9327E+00 O6 1699 15.999400 -0.847600 1.7749E+01 1.7057E+01 -1.8508E+01 H1 1700 1.008000 0.423800 1.8129E+01 1.7960E+01 -1.8305E+01 H2 1701 1.008000 0.423800 1.6750E+01 1.7106E+01 -1.8495E+01 O6 1702 15.999400 -0.847600 5.5388E+00 1.5332E+01 -1.6355E+01 H1 1703 1.008000 0.423800 6.4079E+00 1.5380E+01 -1.6847E+01 H2 1704 1.008000 0.423800 4.9164E+00 1.4716E+01 -1.6837E+01 O6 1705 15.999400 -0.847600 1.2065E+01 -8.5100E+00 1.7931E+01 H1 1706 1.008000 0.423800 1.2793E+01 -9.0012E+00 1.8408E+01 H2 1707 1.008000 0.423800 1.2105E+01 -8.7212E+00 1.6954E+01 O6 1708 15.999400 -0.847600 -1.5771E+01 2.4079E+00 1.2069E+01 H1 1709 1.008000 0.423800 -1.5736E+01 1.5764E+00 1.1515E+01 H2 1710 1.008000 0.423800 -1.6655E+01 2.4612E+00 1.2534E+01 O6 1711 15.999400 -0.847600 -9.4303E+00 -1.6096E+01 -1.5109E+00 H1 1712 1.008000 0.423800 -9.0148E+00 -1.6261E+01 -2.4053E+00 H2 1713 1.008000 0.423800 -9.6678E+00 -1.5128E+01 -1.4278E+00 O6 1714 15.999400 -0.847600 -1.3008E+01 -1.7214E+01 -1.0368E+01 H1 1715 1.008000 0.423800 -1.2769E+01 -1.6414E+01 -9.8173E+00 H2 1716 1.008000 0.423800 -1.2649E+01 -1.7100E+01 -1.1294E+01 O6 1717 15.999400 -0.847600 1.1118E+01 -6.6551E+00 -1.9410E+01 H1 1718 1.008000 0.423800 1.1459E+01 -7.1990E+00 1.8921E+01 H2 1719 1.008000 0.423800 1.0171E+01 -6.3868E+00 1.9511E+01 O6 1720 15.999400 -0.847600 -6.8215E+00 1.6802E+01 1.0445E+01 H1 1721 1.008000 0.423800 -7.1927E+00 1.7284E+01 1.1238E+01 H2 1722 1.008000 0.423800 -7.4830E+00 1.6121E+01 1.0129E+01 O6 1723 15.999400 -0.847600 1.0674E+01 1.7647E+01 1.9243E+01 H1 1724 1.008000 0.423800 1.0568E+01 1.6850E+01 1.8649E+01 H2 1725 1.008000 0.423800 1.0509E+01 1.8480E+01 1.8715E+01 O6 1726 15.999400 -0.847600 2.2559E+00 -9.8436E-01 4.0926E+00 H1 1727 1.008000 0.423800 2.9268E+00 -1.0146E+00 4.8336E+00 H2 1728 1.008000 0.423800 2.1882E+00 -1.8869E+00 3.6673E+00 O6 1729 15.999400 -0.847600 9.7365E+00 -1.8395E+01 1.1169E+01 H1 1730 1.008000 0.423800 1.0715E+01 -1.8206E+01 1.1258E+01 H2 1731 1.008000 0.423800 9.4901E+00 -1.9161E+01 1.1762E+01 O6 1732 15.999400 -0.847600 3.1900E+00 2.9347E+00 5.8012E+00 H1 1733 1.008000 0.423800 2.3198E+00 2.4552E+00 5.9151E+00 H2 1734 1.008000 0.423800 3.8257E+00 2.3551E+00 5.2913E+00 O6 1735 15.999400 -0.847600 -1.2508E+01 -1.9105E+01 8.6524E-02 H1 1736 1.008000 0.423800 -1.2886E+01 1.9105E+01 3.4937E-01 H2 1737 1.008000 0.423800 -1.3067E+01 -1.8375E+01 4.7868E-01 O6 1738 15.999400 -0.847600 -5.3494E+00 -1.8226E+01 -1.2367E+01 H1 1739 1.008000 0.423800 -5.2907E+00 -1.8681E+01 -1.3256E+01 H2 1740 1.008000 0.423800 -6.2396E+00 -1.7779E+01 -1.2280E+01 O6 1741 15.999400 -0.847600 9.9253E+00 -5.9857E+00 -1.3295E+01 H1 1742 1.008000 0.423800 9.9408E+00 -5.0001E+00 -1.3127E+01 H2 1743 1.008000 0.423800 9.3424E+00 -6.4309E+00 -1.2615E+01 O6 1744 15.999400 -0.847600 -1.5227E+01 -1.6224E+01 1.7232E+01 H1 1745 1.008000 0.423800 -1.4390E+01 -1.6054E+01 1.7753E+01 H2 1746 1.008000 0.423800 -1.5278E+01 -1.7192E+01 1.6989E+01 O6 1747 15.999400 -0.847600 1.4479E+01 5.8633E+00 -1.8034E+01 H1 1748 1.008000 0.423800 1.3913E+01 5.5177E+00 -1.8783E+01 H2 1749 1.008000 0.423800 1.4996E+01 6.6595E+00 -1.8348E+01 O6 1750 15.999400 -0.847600 4.6261E+00 -5.6660E+00 1.9223E+01 H1 1751 1.008000 0.423800 5.0503E+00 -5.2056E+00 -1.9095E+01 H2 1752 1.008000 0.423800 3.8551E+00 -6.2178E+00 1.9541E+01 O6 1753 15.999400 -0.847600 -1.1773E+01 -2.9816E+00 -1.7706E+01 H1 1754 1.008000 0.423800 -1.2028E+01 -2.0801E+00 -1.8056E+01 H2 1755 1.008000 0.423800 -1.1137E+01 -3.4187E+00 -1.8341E+01 O6 1756 15.999400 -0.847600 -1.1134E+00 7.0774E+00 -1.6132E+01 H1 1757 1.008000 0.423800 -2.2445E-01 6.7816E+00 -1.5782E+01 H2 1758 1.008000 0.423800 -1.0370E+00 7.2792E+00 -1.7109E+01 O6 1759 15.999400 -0.847600 -1.1181E+01 1.7571E+01 -4.0590E+00 H1 1760 1.008000 0.423800 -1.0243E+01 1.7911E+01 -3.9849E+00 H2 1761 1.008000 0.423800 -1.1388E+01 1.7369E+01 -5.0164E+00 O6 1762 15.999400 -0.847600 -1.5959E+01 -2.1262E+00 1.7463E+01 H1 1763 1.008000 0.423800 -1.5770E+01 -2.4262E+00 1.8399E+01 H2 1764 1.008000 0.423800 -1.6947E+01 -2.0504E+00 1.7330E+01 O6 1765 15.999400 -0.847600 2.2379E+00 2.3343E+00 1.3094E+01 H1 1766 1.008000 0.423800 2.8322E+00 3.1347E+00 1.3016E+01 H2 1767 1.008000 0.423800 2.0521E+00 2.1502E+00 1.4059E+01 O6 1768 15.999400 -0.847600 1.5494E+00 1.9396E+01 1.8960E+01 H1 1769 1.008000 0.423800 1.6202E+00 1.8496E+01 1.8530E+01 H2 1770 1.008000 0.423800 6.6648E-01 -1.9292E+01 1.8732E+01 O6 1771 15.999400 -0.847600 -3.9378E+00 2.6840E-01 1.4780E+01 H1 1772 1.008000 0.423800 -3.1917E+00 6.9311E-01 1.5293E+01 H2 1773 1.008000 0.423800 -3.5949E+00 -5.3006E-02 1.3898E+01 O6 1774 15.999400 -0.847600 2.9961E+00 3.4437E-01 1.0167E+01 H1 1775 1.008000 0.423800 2.7633E+00 -5.0826E-01 9.6996E+00 H2 1776 1.008000 0.423800 2.1570E+00 8.3107E-01 1.0410E+01 O6 1777 15.999400 -0.847600 -1.7971E+01 -9.1642E-01 -1.0513E+01 H1 1778 1.008000 0.423800 -1.7667E+01 -2.4268E-01 -1.1187E+01 H2 1779 1.008000 0.423800 -1.7846E+01 -5.4699E-01 -9.5922E+00 O6 1780 15.999400 -0.847600 -4.7564E+00 6.7861E+00 -3.5046E+00 H1 1781 1.008000 0.423800 -5.4583E+00 6.5041E+00 -2.8505E+00 H2 1782 1.008000 0.423800 -4.8643E+00 7.7586E+00 -3.7106E+00 O6 1783 15.999400 -0.847600 -4.5181E+00 1.5631E+01 1.1708E+01 H1 1784 1.008000 0.423800 -5.1279E+00 1.6093E+01 1.1064E+01 H2 1785 1.008000 0.423800 -4.3358E+00 1.6233E+01 1.2485E+01 O6 1786 15.999400 -0.847600 -1.6666E+01 -1.1288E+01 -6.6449E+00 H1 1787 1.008000 0.423800 -1.5946E+01 -1.1531E+01 -7.2954E+00 H2 1788 1.008000 0.423800 -1.7456E+01 -1.0927E+01 -7.1409E+00 O6 1789 15.999400 -0.847600 9.8915E+00 -1.5148E+01 1.9447E+01 H1 1790 1.008000 0.423800 9.3004E+00 -1.4393E+01 1.9161E+01 H2 1791 1.008000 0.423800 9.3352E+00 -1.5961E+01 -1.9481E+01 O6 1792 15.999400 -0.847600 -5.8513E+00 1.7012E+01 -6.0977E+00 H1 1793 1.008000 0.423800 -6.0363E+00 1.6092E+01 -5.7502E+00 H2 1794 1.008000 0.423800 -6.1281E+00 1.7688E+01 -5.4151E+00 O6 1795 15.999400 -0.847600 1.7383E+01 1.8787E+00 -1.9178E+00 H1 1796 1.008000 0.423800 1.6529E+01 1.4514E+00 -2.2141E+00 H2 1797 1.008000 0.423800 1.7866E+01 2.2435E+00 -2.7135E+00 O6 1798 15.999400 -0.847600 2.3945E+00 -1.6336E+00 8.5688E+00 H1 1799 1.008000 0.423800 1.7054E+00 -2.3350E+00 8.7509E+00 H2 1800 1.008000 0.423800 2.3320E+00 -1.3453E+00 7.6133E+00 O6 1801 15.999400 -0.847600 -5.2312E+00 1.8686E+01 -1.0667E+01 H1 1802 1.008000 0.423800 -5.9461E+00 1.8551E+01 -9.9812E+00 H2 1803 1.008000 0.423800 -5.5693E+00 1.9294E+01 -1.1385E+01 O6 1804 15.999400 -0.847600 -1.4591E+01 9.5795E+00 -1.5144E+01 H1 1805 1.008000 0.423800 -1.4379E+01 1.0465E+01 -1.5559E+01 H2 1806 1.008000 0.423800 -1.5017E+01 8.9852E+00 -1.5826E+01 O6 1807 15.999400 -0.847600 -6.6820E+00 -6.6289E+00 6.0839E+00 H1 1808 1.008000 0.423800 -6.0713E+00 -6.0175E+00 5.5806E+00 H2 1809 1.008000 0.423800 -6.8654E+00 -7.4437E+00 5.5339E+00 O6 1810 15.999400 -0.847600 8.8446E+00 1.5032E+01 6.6240E+00 H1 1811 1.008000 0.423800 9.3181E+00 1.5481E+01 7.3817E+00 H2 1812 1.008000 0.423800 7.8570E+00 1.5078E+01 6.7742E+00 O6 1813 15.999400 -0.847600 1.5127E+01 3.1269E+00 8.6443E+00 H1 1814 1.008000 0.423800 1.5465E+01 2.9010E+00 7.7308E+00 H2 1815 1.008000 0.423800 1.4337E+01 2.5522E+00 8.8585E+00 O6 1816 15.999400 -0.847600 9.3545E-01 5.6404E+00 -2.5082E+00 H1 1817 1.008000 0.423800 5.9368E-01 5.6447E+00 -3.4480E+00 H2 1818 1.008000 0.423800 1.6499E+00 6.3331E+00 -2.4102E+00 O6 1819 15.999400 -0.847600 1.5277E+01 1.2216E+01 1.5686E+01 H1 1820 1.008000 0.423800 1.4318E+01 1.2296E+01 1.5414E+01 H2 1821 1.008000 0.423800 1.5841E+01 1.2059E+01 1.4875E+01 O6 1822 15.999400 -0.847600 1.4970E+01 1.0726E+01 -5.8066E+00 H1 1823 1.008000 0.423800 1.5806E+01 1.0823E+01 -5.2666E+00 H2 1824 1.008000 0.423800 1.4180E+01 1.0975E+01 -5.2458E+00 O6 1825 15.999400 -0.847600 1.5926E+01 1.5177E+01 -2.4925E+00 H1 1826 1.008000 0.423800 1.6048E+01 1.4933E+01 -1.5306E+00 H2 1827 1.008000 0.423800 1.4996E+01 1.4947E+01 -2.7800E+00 O6 1828 15.999400 -0.847600 -1.0348E+00 -1.0222E+01 -2.2569E+00 H1 1829 1.008000 0.423800 -1.5332E+00 -1.1030E+01 -2.5705E+00 H2 1830 1.008000 0.423800 -6.7632E-01 -9.7238E+00 -3.0467E+00 O6 1831 15.999400 -0.847600 -1.4977E+01 5.3369E+00 -1.3314E+01 H1 1832 1.008000 0.423800 -1.5968E+01 5.4555E+00 -1.3240E+01 H2 1833 1.008000 0.423800 -1.4768E+01 4.7672E+00 -1.4109E+01 O6 1834 15.999400 -0.847600 2.9193E+00 1.0593E+01 9.0251E+00 H1 1835 1.008000 0.423800 2.1225E+00 1.0166E+01 8.5970E+00 H2 1836 1.008000 0.423800 2.6256E+00 1.1384E+01 9.5620E+00 O6 1837 15.999400 -0.847600 -1.5271E+01 -1.1046E+01 -1.0263E+01 H1 1838 1.008000 0.423800 -1.4860E+01 -1.1548E+01 -9.5013E+00 H2 1839 1.008000 0.423800 -1.5892E+01 -1.1649E+01 -1.0763E+01 O6 1840 15.999400 -0.847600 4.6784E+00 -3.6722E+00 -1.8658E+00 H1 1841 1.008000 0.423800 4.8726E+00 -3.3197E+00 -2.7812E+00 H2 1842 1.008000 0.423800 5.1867E+00 -4.5211E+00 -1.7207E+00 O6 1843 15.999400 -0.847600 1.2450E+01 1.3297E+01 7.6865E-01 H1 1844 1.008000 0.423800 1.1872E+01 1.3756E+01 9.3498E-02 H2 1845 1.008000 0.423800 1.2972E+01 1.3981E+01 1.2797E+00 O6 1846 15.999400 -0.847600 -1.7337E+01 6.0928E+00 -1.5583E+01 H1 1847 1.008000 0.423800 -1.6648E+01 6.0573E+00 -1.6307E+01 H2 1848 1.008000 0.423800 -1.7509E+01 7.0456E+00 -1.5333E+01 O6 1849 15.999400 -0.847600 7.4280E+00 -4.8977E-01 -3.1368E+00 H1 1850 1.008000 0.423800 7.6204E+00 3.8653E-01 -2.6951E+00 H2 1851 1.008000 0.423800 8.1562E+00 -1.1396E+00 -2.9193E+00 O6 1852 15.999400 -0.847600 1.6759E+01 1.1416E+01 3.0007E-01 H1 1853 1.008000 0.423800 1.6205E+01 1.1518E+01 -5.2662E-01 H2 1854 1.008000 0.423800 1.6524E+01 1.0555E+01 7.5302E-01 O6 1855 15.999400 -0.847600 1.3286E+01 -1.1683E+01 -1.2568E+01 H1 1856 1.008000 0.423800 1.3050E+01 -1.2507E+01 -1.2053E+01 H2 1857 1.008000 0.423800 1.4274E+01 -1.1531E+01 -1.2519E+01 O6 1858 15.999400 -0.847600 2.9083E+00 -9.3403E+00 7.1603E+00 H1 1859 1.008000 0.423800 3.6718E+00 -9.9432E+00 6.9289E+00 H2 1860 1.008000 0.423800 2.7441E+00 -9.3738E+00 8.1461E+00 O6 1861 15.999400 -0.847600 1.7493E+01 -4.5251E+00 1.8282E+01 H1 1862 1.008000 0.423800 1.7520E+01 -4.9965E+00 1.9163E+01 H2 1863 1.008000 0.423800 1.7365E+01 -5.1942E+00 1.7550E+01 O6 1864 15.999400 -0.847600 -1.3627E+01 1.2461E+01 3.9561E+00 H1 1865 1.008000 0.423800 -1.3681E+01 1.3446E+01 4.1227E+00 H2 1866 1.008000 0.423800 -1.4296E+01 1.2204E+01 3.2593E+00 O6 1867 15.999400 -0.847600 -2.7370E+00 4.8955E+00 1.1683E+01 H1 1868 1.008000 0.423800 -3.3941E+00 5.4541E+00 1.1177E+01 H2 1869 1.008000 0.423800 -1.8278E+00 5.0046E+00 1.1281E+01 O6 1870 15.999400 -0.847600 -6.4909E+00 3.9808E+00 -1.7874E-01 H1 1871 1.008000 0.423800 -6.7123E+00 4.9033E+00 -4.9503E-01 H2 1872 1.008000 0.423800 -6.8015E+00 3.3131E+00 -8.5520E-01 O6 1873 15.999400 -0.847600 -8.6183E+00 -1.4327E+01 -8.3906E+00 H1 1874 1.008000 0.423800 -7.7031E+00 -1.4671E+01 -8.1813E+00 H2 1875 1.008000 0.423800 -8.5434E+00 -1.3487E+01 -8.9293E+00 O6 1876 15.999400 -0.847600 2.6259E+00 1.5013E+01 1.5635E+01 H1 1877 1.008000 0.423800 2.3050E+00 1.5630E+01 1.4917E+01 H2 1878 1.008000 0.423800 2.4985E+00 1.4065E+01 1.5342E+01 O6 1879 15.999400 -0.847600 -2.6681E+00 2.7322E+00 7.8928E+00 H1 1880 1.008000 0.423800 -2.3701E+00 1.9701E+00 7.3180E+00 H2 1881 1.008000 0.423800 -3.6214E+00 2.5941E+00 8.1616E+00 O6 1882 15.999400 -0.847600 1.0200E+01 -6.4620E+00 -3.5713E+00 H1 1883 1.008000 0.423800 1.1095E+01 -6.6021E+00 -3.9948E+00 H2 1884 1.008000 0.423800 9.4852E+00 -6.8083E+00 -4.1795E+00 O6 1885 15.999400 -0.847600 -9.6305E+00 2.6474E+00 6.9219E+00 H1 1886 1.008000 0.423800 -1.0203E+01 1.8970E+00 7.2520E+00 H2 1887 1.008000 0.423800 -9.1270E+00 2.3504E+00 6.1106E+00 O6 1888 15.999400 -0.847600 -1.1149E+01 -1.4881E+01 -9.3365E+00 H1 1889 1.008000 0.423800 -1.0380E+01 -1.4449E+01 -8.8653E+00 H2 1890 1.008000 0.423800 -1.1389E+01 -1.4342E+01 -1.0144E+01 O6 1891 15.999400 -0.847600 -1.7649E+01 -5.4239E+00 -2.3837E-02 H1 1892 1.008000 0.423800 -1.7315E+01 -4.8996E+00 7.5953E-01 H2 1893 1.008000 0.423800 -1.6872E+01 -5.7719E+00 -5.4776E-01 O6 1894 15.999400 -0.847600 1.8769E+00 4.6139E+00 3.8011E+00 H1 1895 1.008000 0.423800 2.8127E+00 4.3226E+00 3.6022E+00 H2 1896 1.008000 0.423800 1.3127E+00 3.8118E+00 3.9967E+00 O6 1897 15.999400 -0.847600 1.0187E+01 3.5983E+00 -3.2549E+00 H1 1898 1.008000 0.423800 1.0389E+01 3.9831E+00 -2.3544E+00 H2 1899 1.008000 0.423800 1.0692E+01 2.7433E+00 -3.3733E+00 O6 1900 15.999400 -0.847600 -1.7450E+01 -4.1186E+00 -1.1068E+01 H1 1901 1.008000 0.423800 -1.7692E+01 -3.1536E+00 -1.0968E+01 H2 1902 1.008000 0.423800 -1.7970E+01 -4.5163E+00 -1.1824E+01 O6 1903 15.999400 -0.847600 -1.1274E+01 -1.0277E+01 -1.5274E+01 H1 1904 1.008000 0.423800 -1.1259E+01 -1.0602E+01 -1.4329E+01 H2 1905 1.008000 0.423800 -1.1943E+01 -9.5391E+00 -1.5363E+01 O6 1906 15.999400 -0.847600 -1.1027E+00 1.2022E+00 -1.6998E+01 H1 1907 1.008000 0.423800 -7.7813E-01 2.6951E-01 -1.6840E+01 H2 1908 1.008000 0.423800 -1.9394E+00 1.3570E+00 -1.6472E+01 O6 1909 15.999400 -0.847600 5.9512E+00 -1.1731E+01 -1.3959E+01 H1 1910 1.008000 0.423800 5.8880E+00 -1.0996E+01 -1.3284E+01 H2 1911 1.008000 0.423800 6.7891E+00 -1.2255E+01 -1.3803E+01 O6 1912 15.999400 -0.847600 -8.0824E+00 1.5695E+01 5.2330E+00 H1 1913 1.008000 0.423800 -8.0923E+00 1.6563E+01 5.7300E+00 H2 1914 1.008000 0.423800 -8.1205E+00 1.5873E+01 4.2499E+00 O6 1915 15.999400 -0.847600 9.6985E+00 -1.1780E+01 -4.4765E-01 H1 1916 1.008000 0.423800 8.7842E+00 -1.2168E+01 -5.6430E-01 H2 1917 1.008000 0.423800 1.0360E+01 -1.2519E+01 -3.2257E-01 O6 1918 15.999400 -0.847600 -1.7517E+01 8.2451E+00 -2.9110E+00 H1 1919 1.008000 0.423800 -1.7828E+01 8.4691E+00 -1.9871E+00 H2 1920 1.008000 0.423800 -1.6827E+01 8.9077E+00 -3.2005E+00 O6 1921 15.999400 -0.847600 -7.2543E+00 -7.1395E+00 1.8880E+01 H1 1922 1.008000 0.423800 -7.6982E+00 -6.2938E+00 1.8584E+01 H2 1923 1.008000 0.423800 -6.3546E+00 -7.2121E+00 1.8450E+01 O6 1924 15.999400 -0.847600 4.4045E+00 1.7407E+01 -1.4927E+01 H1 1925 1.008000 0.423800 4.6407E+00 1.7010E+01 -1.5813E+01 H2 1926 1.008000 0.423800 3.8312E+00 1.6766E+01 -1.4417E+01 O6 1927 15.999400 -0.847600 -1.8498E+01 9.1165E+00 1.1158E+01 H1 1928 1.008000 0.423800 -1.7976E+01 8.9355E+00 1.0325E+01 H2 1929 1.008000 0.423800 -1.7877E+01 9.4242E+00 1.1880E+01 O6 1930 15.999400 -0.847600 1.2914E+00 -1.9006E+01 -9.1311E+00 H1 1931 1.008000 0.423800 1.5718E+00 1.9132E+01 -9.1616E+00 H2 1932 1.008000 0.423800 5.3309E-01 -1.8860E+01 -9.7664E+00 O6 1933 15.999400 -0.847600 -4.9257E-01 9.3799E+00 1.2743E+01 H1 1934 1.008000 0.423800 -1.3607E+00 8.8841E+00 1.2767E+01 H2 1935 1.008000 0.423800 2.2802E-01 8.7743E+00 1.2406E+01 O6 1936 15.999400 -0.847600 -1.8252E+01 -1.0972E+01 1.9256E+01 H1 1937 1.008000 0.423800 -1.8913E+01 -1.0899E+01 1.8509E+01 H2 1938 1.008000 0.423800 -1.7931E+01 -1.1917E+01 1.9325E+01 O6 1939 15.999400 -0.847600 7.2754E+00 -1.3464E+01 -9.2398E-01 H1 1940 1.008000 0.423800 7.3784E+00 -1.3845E+01 -4.9253E-03 H2 1941 1.008000 0.423800 7.1673E+00 -1.4209E+01 -1.5827E+00 O6 1942 15.999400 -0.847600 3.5058E+00 -1.5607E+01 -1.7769E+01 H1 1943 1.008000 0.423800 3.7276E+00 -1.5866E+01 -1.6829E+01 H2 1944 1.008000 0.423800 3.7307E+00 -1.4643E+01 -1.7911E+01 O6 1945 15.999400 -0.847600 9.4350E+00 1.2132E+01 1.3760E+01 H1 1946 1.008000 0.423800 9.0104E+00 1.1984E+01 1.4653E+01 H2 1947 1.008000 0.423800 9.3283E+00 1.1310E+01 1.3200E+01 O6 1948 15.999400 -0.847600 2.2257E+00 1.2315E+01 -1.0941E+00 H1 1949 1.008000 0.423800 1.3347E+00 1.2768E+01 -1.1213E+00 H2 1950 1.008000 0.423800 2.2981E+00 1.1772E+01 -2.5733E-01 O6 1951 15.999400 -0.847600 -1.8909E+01 -1.3562E+01 1.5775E+01 H1 1952 1.008000 0.423800 -1.8818E+01 -1.2746E+01 1.5204E+01 H2 1953 1.008000 0.423800 1.9235E+01 -1.3861E+01 1.5781E+01 O6 1954 15.999400 -0.847600 -1.9013E+01 1.1187E+00 2.6522E+00 H1 1955 1.008000 0.423800 -1.8834E+01 2.0117E+00 3.0653E+00 H2 1956 1.008000 0.423800 -1.9216E+01 1.2358E+00 1.6801E+00 O6 1957 15.999400 -0.847600 -1.5747E+01 -4.4251E+00 8.8618E+00 H1 1958 1.008000 0.423800 -1.5173E+01 -4.7227E+00 9.6249E+00 H2 1959 1.008000 0.423800 -1.6407E+01 -3.7477E+00 9.1857E+00 O6 1960 15.999400 -0.847600 -1.2270E+01 1.2095E+01 -1.3420E+01 H1 1961 1.008000 0.423800 -1.1294E+01 1.2253E+01 -1.3266E+01 H2 1962 1.008000 0.423800 -1.2545E+01 1.2524E+01 -1.4280E+01 O6 1963 15.999400 -0.847600 1.3602E+01 1.3594E+01 -3.0660E+00 H1 1964 1.008000 0.423800 1.3050E+01 1.3884E+01 -2.2844E+00 H2 1965 1.008000 0.423800 1.3176E+01 1.2800E+01 -3.4986E+00 O6 1966 15.999400 -0.847600 1.0034E+01 1.7541E+01 4.4911E+00 H1 1967 1.008000 0.423800 1.0616E+01 1.7150E+01 3.7786E+00 H2 1968 1.008000 0.423800 1.0400E+01 1.8428E+01 4.7713E+00 O6 1969 15.999400 -0.847600 1.5954E+01 8.6637E+00 -1.8328E+00 H1 1970 1.008000 0.423800 1.6101E+01 8.0143E+00 -2.5790E+00 H2 1971 1.008000 0.423800 1.6205E+01 9.5828E+00 -2.1365E+00 O6 1972 15.999400 -0.847600 -1.3054E+01 -6.9631E+00 -9.1913E+00 H1 1973 1.008000 0.423800 -1.3632E+01 -6.2831E+00 -9.6421E+00 H2 1974 1.008000 0.423800 -1.2118E+01 -6.6168E+00 -9.1304E+00 O6 1975 15.999400 -0.847600 -1.6190E+01 -2.6954E+00 -1.9022E+00 H1 1976 1.008000 0.423800 -1.6836E+01 -2.5688E+00 -2.6547E+00 H2 1977 1.008000 0.423800 -1.6520E+01 -2.2087E+00 -1.0936E+00 O6 1978 15.999400 -0.847600 -1.8976E+01 7.6116E+00 1.7639E+01 H1 1979 1.008000 0.423800 -1.9240E+01 6.7288E+00 1.7251E+01 H2 1980 1.008000 0.423800 1.9538E+01 7.8187E+00 1.8424E+01 O6 1981 15.999400 -0.847600 -5.3174E+00 -1.4292E+01 3.5108E+00 H1 1982 1.008000 0.423800 -6.0171E+00 -1.4277E+01 2.7965E+00 H2 1983 1.008000 0.423800 -5.6346E+00 -1.4853E+01 4.2759E+00 O6 1984 15.999400 -0.847600 1.2738E+00 8.7599E+00 -1.7893E+01 H1 1985 1.008000 0.423800 1.8200E+00 9.4194E+00 -1.8409E+01 H2 1986 1.008000 0.423800 6.3530E-01 8.3001E+00 -1.8510E+01 O6 1987 15.999400 -0.847600 9.6572E+00 -1.1495E+00 1.6149E+00 H1 1988 1.008000 0.423800 1.0616E+01 -1.0957E+00 1.8951E+00 H2 1989 1.008000 0.423800 9.1869E+00 -1.8385E+00 2.1664E+00 O6 1990 15.999400 -0.847600 1.2629E+01 1.3100E+01 -1.5821E+01 H1 1991 1.008000 0.423800 1.2485E+01 1.2597E+01 -1.6673E+01 H2 1992 1.008000 0.423800 1.2025E+01 1.2736E+01 -1.5112E+01 O6 1993 15.999400 -0.847600 1.8658E+01 -4.6372E-01 4.0859E+00 H1 1994 1.008000 0.423800 1.9139E+01 -1.2479E+00 4.4773E+00 H2 1995 1.008000 0.423800 1.9318E+01 1.4996E-01 3.6523E+00 O6 1996 15.999400 -0.847600 -4.4017E+00 3.3724E+00 -1.4560E+01 H1 1997 1.008000 0.423800 -3.6201E+00 2.8025E+00 -1.4306E+01 H2 1998 1.008000 0.423800 -4.0955E+00 4.3136E+00 -1.4702E+01 O6 1999 15.999400 -0.847600 -1.0669E+01 1.8620E+00 -1.6186E+01 H1 2000 1.008000 0.423800 -1.0099E+01 2.6430E+00 -1.6440E+01 H2 2001 1.008000 0.423800 -1.0366E+01 1.5003E+00 -1.5305E+01 O6 2002 15.999400 -0.847600 -1.4371E+01 -1.4704E+01 -4.4133E+00 H1 2003 1.008000 0.423800 -1.4990E+01 -1.5476E+01 -4.5555E+00 H2 2004 1.008000 0.423800 -1.3617E+01 -1.4987E+01 -3.8202E+00 O6 2005 15.999400 -0.847600 4.0814E+00 -4.3470E+00 1.0265E+01 H1 2006 1.008000 0.423800 4.2704E+00 -5.3279E+00 1.0219E+01 H2 2007 1.008000 0.423800 4.0301E+00 -3.9740E+00 9.3386E+00 O6 2008 15.999400 -0.847600 7.9442E+00 3.1701E+00 -1.6191E+01 H1 2009 1.008000 0.423800 8.4388E+00 3.9496E+00 -1.5806E+01 H2 2010 1.008000 0.423800 7.0880E+00 3.4870E+00 -1.6599E+01 O6 2011 15.999400 -0.847600 1.5257E+01 -6.8128E+00 4.9824E+00 H1 2012 1.008000 0.423800 1.5072E+01 -6.2317E+00 4.1898E+00 H2 2013 1.008000 0.423800 1.4405E+01 -7.2345E+00 5.2923E+00 O6 2014 15.999400 -0.847600 1.0707E+01 -1.7892E+01 1.5545E+01 H1 2015 1.008000 0.423800 1.1250E+01 -1.7336E+01 1.6174E+01 H2 2016 1.008000 0.423800 1.0130E+01 -1.7295E+01 1.4986E+01 O6 2017 15.999400 -0.847600 1.8456E+01 -1.0687E+01 3.4729E-01 H1 2018 1.008000 0.423800 1.9251E+01 -1.1229E+01 7.6359E-02 H2 2019 1.008000 0.423800 1.8682E+01 -9.7139E+00 2.9589E-01 O6 2020 15.999400 -0.847600 -1.4730E+01 3.1228E+00 -1.6891E+00 H1 2021 1.008000 0.423800 -1.4648E+01 3.7527E+00 -2.4614E+00 H2 2022 1.008000 0.423800 -1.4705E+01 2.1806E+00 -2.0234E+00 O6 2023 15.999400 -0.847600 8.9283E+00 1.0915E+01 -2.0360E+00 H1 2024 1.008000 0.423800 9.3990E+00 1.1273E+01 -1.2295E+00 H2 2025 1.008000 0.423800 8.3940E+00 1.1645E+01 -2.4616E+00 O6 2026 15.999400 -0.847600 5.6700E-01 5.6469E+00 1.4712E+00 H1 2027 1.008000 0.423800 8.2622E-01 5.1849E+00 2.3194E+00 H2 2028 1.008000 0.423800 3.0873E-01 4.9657E+00 7.8623E-01 O6 2029 15.999400 -0.847600 -1.2616E+01 1.8009E+00 -3.4105E+00 H1 2030 1.008000 0.423800 -1.3028E+01 2.6403E+00 -3.7660E+00 H2 2031 1.008000 0.423800 -1.2553E+01 1.1244E+00 -4.1442E+00 O6 2032 15.999400 -0.847600 -1.7212E+01 5.0596E+00 -1.9237E+01 H1 2033 1.008000 0.423800 -1.6894E+01 6.0053E+00 -1.9302E+01 H2 2034 1.008000 0.423800 -1.8212E+01 5.0437E+00 -1.9242E+01 O6 2035 15.999400 -0.847600 3.6206E+00 2.5776E+00 1.9476E+01 H1 2036 1.008000 0.423800 3.5502E+00 3.2853E+00 1.8773E+01 H2 2037 1.008000 0.423800 3.5802E+00 1.6757E+00 1.9046E+01 O6 2038 15.999400 -0.847600 -4.0765E+00 -1.1771E+01 -4.8760E+00 H1 2039 1.008000 0.423800 -3.3877E+00 -1.1655E+01 -5.5916E+00 H2 2040 1.008000 0.423800 -4.9894E+00 -1.1727E+01 -5.2818E+00 O6 2041 15.999400 -0.847600 7.7882E+00 1.2078E+01 1.5941E+01 H1 2042 1.008000 0.423800 7.2372E+00 1.2883E+01 1.5721E+01 H2 2043 1.008000 0.423800 7.2606E+00 1.1463E+01 1.6527E+01 O6 2044 15.999400 -0.847600 1.5596E+01 1.2549E+01 8.4640E+00 H1 2045 1.008000 0.423800 1.5351E+01 1.2707E+01 7.5074E+00 H2 2046 1.008000 0.423800 1.5950E+01 1.3396E+01 8.8614E+00 O6 2047 15.999400 -0.847600 7.3107E+00 7.1915E+00 -1.3049E+01 H1 2048 1.008000 0.423800 7.0387E+00 6.4957E+00 -1.2384E+01 H2 2049 1.008000 0.423800 8.2527E+00 7.4746E+00 -1.2869E+01 O6 2050 15.999400 -0.847600 -1.1943E+01 5.1167E+00 -1.8800E+00 H1 2051 1.008000 0.423800 -1.2727E+01 4.8082E+00 -2.4196E+00 H2 2052 1.008000 0.423800 -1.1563E+01 4.3434E+00 -1.3727E+00 O6 2053 15.999400 -0.847600 -1.1061E+01 1.7354E+01 1.7187E+01 H1 2054 1.008000 0.423800 -1.1614E+01 1.6976E+01 1.6445E+01 H2 2055 1.008000 0.423800 -1.1091E+01 1.6736E+01 1.7973E+01 O6 2056 15.999400 -0.847600 3.1313E+00 -1.6697E+01 -8.6761E+00 H1 2057 1.008000 0.423800 2.7440E+00 -1.7619E+01 -8.6374E+00 H2 2058 1.008000 0.423800 4.1003E+00 -1.6753E+01 -8.9166E+00 O6 2059 15.999400 -0.847600 -1.8058E+01 -5.0612E+00 -1.6108E+01 H1 2060 1.008000 0.423800 -1.8542E+01 -5.8629E+00 -1.5757E+01 H2 2061 1.008000 0.423800 -1.7600E+01 -5.2971E+00 -1.6965E+01 O6 2062 15.999400 -0.847600 1.6325E+01 2.6255E-01 5.3368E+00 H1 2063 1.008000 0.423800 1.7077E+01 -7.4404E-02 4.7699E+00 H2 2064 1.008000 0.423800 1.6142E+01 -3.9147E-01 6.0708E+00 O6 2065 15.999400 -0.847600 -1.1340E+01 1.0948E+01 1.8495E+01 H1 2066 1.008000 0.423800 -1.0939E+01 1.1744E+01 1.8947E+01 H2 2067 1.008000 0.423800 -1.2243E+01 1.0764E+01 1.8883E+01 O6 2068 15.999400 -0.847600 8.7646E+00 -5.3548E+00 1.8904E+01 H1 2069 1.008000 0.423800 7.9622E+00 -5.7484E+00 1.8456E+01 H2 2070 1.008000 0.423800 9.2866E+00 -4.8173E+00 1.8242E+01 O6 2071 15.999400 -0.847600 -3.1501E+00 -9.4416E-01 -3.0819E+00 H1 2072 1.008000 0.423800 -2.6913E+00 -2.8572E-01 -2.4853E+00 H2 2073 1.008000 0.423800 -2.9644E+00 -1.8722E+00 -2.7591E+00 O6 2074 15.999400 -0.847600 -6.4057E-01 7.2687E+00 -1.8851E+01 H1 2075 1.008000 0.423800 -1.0820E+00 7.8018E+00 1.9524E+01 H2 2076 1.008000 0.423800 -4.3198E-01 6.3526E+00 -1.9194E+01 O6 2077 15.999400 -0.847600 1.2886E+01 1.9114E+00 3.8882E+00 H1 2078 1.008000 0.423800 1.2797E+01 2.7311E+00 4.4540E+00 H2 2079 1.008000 0.423800 1.3300E+01 2.1554E+00 3.0110E+00 O6 2080 15.999400 -0.847600 -4.4364E+00 1.4041E+01 -2.5869E+00 H1 2081 1.008000 0.423800 -4.3022E+00 1.4417E+01 -1.6700E+00 H2 2082 1.008000 0.423800 -4.3903E+00 1.3043E+01 -2.5478E+00 O6 2083 15.999400 -0.847600 -9.0797E+00 -5.0953E+00 5.6089E+00 H1 2084 1.008000 0.423800 -8.8853E+00 -5.4058E+00 4.6784E+00 H2 2085 1.008000 0.423800 -8.3604E+00 -5.4169E+00 6.2246E+00 O6 2086 15.999400 -0.847600 -8.0262E+00 7.1432E+00 1.3891E+01 H1 2087 1.008000 0.423800 -8.3502E+00 6.7376E+00 1.4746E+01 H2 2088 1.008000 0.423800 -7.1684E+00 6.7069E+00 1.3620E+01 O6 2089 15.999400 -0.847600 3.4985E+00 -6.4410E+00 7.4122E+00 H1 2090 1.008000 0.423800 3.2272E+00 -7.3796E+00 7.1989E+00 H2 2091 1.008000 0.423800 3.7789E+00 -6.3848E+00 8.3704E+00 O6 2092 15.999400 -0.847600 -5.3332E+00 -9.6959E+00 -8.0164E+00 H1 2093 1.008000 0.423800 -5.2564E+00 -8.8844E+00 -7.4371E+00 H2 2094 1.008000 0.423800 -4.4240E+00 -1.0083E+01 -8.1698E+00 O6 2095 15.999400 -0.847600 1.8399E+01 1.1583E+01 6.3618E+00 H1 2096 1.008000 0.423800 1.8111E+01 1.0818E+01 6.9382E+00 H2 2097 1.008000 0.423800 1.7894E+01 1.1558E+01 5.4988E+00 O6 2098 15.999400 -0.847600 -1.1960E+01 7.5619E+00 1.0216E+01 H1 2099 1.008000 0.423800 -1.1329E+01 7.5513E+00 1.0991E+01 H2 2100 1.008000 0.423800 -1.2173E+01 8.5081E+00 9.9718E+00 O6 2101 15.999400 -0.847600 -1.1296E+00 -1.6377E+01 -2.3623E+00 H1 2102 1.008000 0.423800 -9.3004E-01 -1.6347E+01 -3.3418E+00 H2 2103 1.008000 0.423800 -9.0169E-01 -1.5496E+01 -1.9479E+00 O6 2104 15.999400 -0.847600 4.5340E-01 1.8999E+01 1.1367E+00 H1 2105 1.008000 0.423800 7.4783E-01 1.8115E+01 1.4985E+00 H2 2106 1.008000 0.423800 5.9965E-02 1.9547E+01 1.8751E+00 O6 2107 15.999400 -0.847600 1.3146E+01 1.1527E+01 -1.0076E+01 H1 2108 1.008000 0.423800 1.4042E+01 1.1498E+01 -9.6332E+00 H2 2109 1.008000 0.423800 1.3264E+01 1.1679E+01 -1.1057E+01 O6 2110 15.999400 -0.847600 -1.5345E+01 -1.2010E+01 1.4898E+01 H1 2111 1.008000 0.423800 -1.5722E+01 -1.2603E+01 1.4187E+01 H2 2112 1.008000 0.423800 -1.5629E+01 -1.1066E+01 1.4730E+01 O6 2113 15.999400 -0.847600 1.6564E+01 9.9513E+00 1.8246E+01 H1 2114 1.008000 0.423800 1.5611E+01 9.8331E+00 1.7969E+01 H2 2115 1.008000 0.423800 1.7166E+01 9.6548E+00 1.7505E+01 O6 2116 15.999400 -0.847600 -1.4782E+01 1.2356E+01 -1.6074E+01 H1 2117 1.008000 0.423800 -1.3991E+01 1.2964E+01 -1.6011E+01 H2 2118 1.008000 0.423800 -1.5345E+01 1.2621E+01 -1.6857E+01 O6 2119 15.999400 -0.847600 6.0063E+00 1.8060E+01 7.0315E+00 H1 2120 1.008000 0.423800 6.5989E+00 1.7853E+01 6.2529E+00 H2 2121 1.008000 0.423800 6.3001E+00 1.8916E+01 7.4558E+00 O6 2122 15.999400 -0.847600 -1.1088E+01 1.0875E+01 1.5660E+01 H1 2123 1.008000 0.423800 -1.0910E+01 1.0899E+01 1.6643E+01 H2 2124 1.008000 0.423800 -1.1164E+01 9.9247E+00 1.5358E+01 O6 2125 15.999400 -0.847600 7.4932E+00 1.1441E+01 4.3648E+00 H1 2126 1.008000 0.423800 7.4666E+00 1.0446E+01 4.2692E+00 H2 2127 1.008000 0.423800 7.1265E+00 1.1865E+01 3.5368E+00 O6 2128 15.999400 -0.847600 -8.7174E+00 -2.0289E+00 1.5257E+01 H1 2129 1.008000 0.423800 -8.3983E+00 -2.9515E+00 1.5040E+01 H2 2130 1.008000 0.423800 -8.1339E+00 -1.3581E+00 1.4799E+01 O6 2131 15.999400 -0.847600 8.8609E+00 -1.0646E+01 -1.2905E+01 H1 2132 1.008000 0.423800 9.1653E+00 -1.0913E+01 -1.3819E+01 H2 2133 1.008000 0.423800 8.2954E+00 -1.1373E+01 -1.2516E+01 O6 2134 15.999400 -0.847600 -1.2700E+01 1.9314E+01 -6.5493E+00 H1 2135 1.008000 0.423800 -1.2503E+01 -1.9069E+01 -5.8782E+00 H2 2136 1.008000 0.423800 -1.2306E+01 1.8449E+01 -6.2397E+00 O6 2137 15.999400 -0.847600 -6.4617E+00 9.7701E+00 -8.8959E-01 H1 2138 1.008000 0.423800 -6.5106E+00 1.0659E+01 -1.3452E+00 H2 2139 1.008000 0.423800 -5.5439E+00 9.3889E+00 -1.0005E+00 O6 2140 15.999400 -0.847600 4.7568E+00 -1.1601E+01 6.8345E+00 H1 2141 1.008000 0.423800 4.8545E+00 -1.1363E+01 7.8010E+00 H2 2142 1.008000 0.423800 5.6324E+00 -1.1931E+01 6.4824E+00 O6 2143 15.999400 -0.847600 1.2847E+01 1.0168E+01 -1.3440E+01 H1 2144 1.008000 0.423800 1.2468E+01 1.1027E+01 -1.3095E+01 H2 2145 1.008000 0.423800 1.2118E+01 9.6281E+00 -1.3862E+01 O6 2146 15.999400 -0.847600 2.9199E-01 1.8408E+01 -1.4186E+00 H1 2147 1.008000 0.423800 1.1759E+00 1.7945E+01 -1.4872E+00 H2 2148 1.008000 0.423800 1.1351E-01 1.8646E+01 -4.6381E-01 O6 2149 15.999400 -0.847600 -2.8446E+00 -1.7432E+01 -1.1445E+01 H1 2150 1.008000 0.423800 -2.3891E+00 -1.6790E+01 -1.2063E+01 H2 2151 1.008000 0.423800 -3.7817E+00 -1.7587E+01 -1.1758E+01 O6 2152 15.999400 -0.847600 -1.0157E+00 -1.0507E+00 8.6011E+00 H1 2153 1.008000 0.423800 -1.1318E+00 -6.4104E-01 9.5060E+00 H2 2154 1.008000 0.423800 -3.6610E-01 -1.8087E+00 8.6593E+00 O6 2155 15.999400 -0.847600 -4.0736E+00 -1.5662E+01 1.1574E+01 H1 2156 1.008000 0.423800 -3.7075E+00 -1.5612E+01 1.2503E+01 H2 2157 1.008000 0.423800 -3.6590E+00 -1.6435E+01 1.1094E+01 O6 2158 15.999400 -0.847600 -6.8842E+00 -1.3833E+01 1.4693E+01 H1 2159 1.008000 0.423800 -7.0043E+00 -1.3202E+01 1.3927E+01 H2 2160 1.008000 0.423800 -6.4297E+00 -1.3360E+01 1.5447E+01 O6 2161 15.999400 -0.847600 4.6740E+00 -3.7047E+00 -8.7565E+00 H1 2162 1.008000 0.423800 3.9891E+00 -3.8135E+00 -9.4769E+00 H2 2163 1.008000 0.423800 4.2184E+00 -3.4851E+00 -7.8938E+00 O6 2164 15.999400 -0.847600 -1.4686E+01 8.1977E+00 -6.6146E+00 H1 2165 1.008000 0.423800 -1.5177E+01 9.0460E+00 -6.8135E+00 H2 2166 1.008000 0.423800 -1.3864E+01 8.1472E+00 -7.1820E+00 O6 2167 15.999400 -0.847600 -1.5442E+01 -1.6878E-01 -1.4501E+01 H1 2168 1.008000 0.423800 -1.6257E+01 -4.3880E-01 -1.5014E+01 H2 2169 1.008000 0.423800 -1.5110E+01 7.1102E-01 -1.4841E+01 O6 2170 15.999400 -0.847600 -7.3686E+00 5.6340E+00 1.8472E+01 H1 2171 1.008000 0.423800 -7.7720E+00 5.4132E+00 1.9360E+01 H2 2172 1.008000 0.423800 -6.5895E+00 5.0309E+00 1.8300E+01 O6 2173 15.999400 -0.847600 1.6796E-01 1.3837E+01 -1.2334E+00 H1 2174 1.008000 0.423800 -3.5135E-01 1.4051E+01 -4.0592E-01 H2 2175 1.008000 0.423800 1.6985E-01 1.4632E+01 -1.8401E+00 O6 2176 15.999400 -0.847600 1.8979E+01 7.8333E+00 -8.8623E+00 H1 2177 1.008000 0.423800 -1.9326E+01 7.2359E+00 -8.9865E+00 H2 2178 1.008000 0.423800 1.8944E+01 8.1469E+00 -7.9134E+00 O6 2179 15.999400 -0.847600 5.6127E+00 1.1810E+01 -5.5665E+00 H1 2180 1.008000 0.423800 6.0769E+00 1.1143E+01 -4.9838E+00 H2 2181 1.008000 0.423800 6.2868E+00 1.2283E+01 -6.1334E+00 O6 2182 15.999400 -0.847600 1.4041E+01 9.6462E+00 1.6964E+01 H1 2183 1.008000 0.423800 1.4312E+01 9.5061E+00 1.6011E+01 H2 2184 1.008000 0.423800 1.3362E+01 1.0379E+01 1.7012E+01 O6 2185 15.999400 -0.847600 -3.8584E+00 -1.7034E+01 -1.5990E+01 H1 2186 1.008000 0.423800 -2.9518E+00 -1.7395E+01 -1.6210E+01 H2 2187 1.008000 0.423800 -3.8331E+00 -1.6035E+01 -1.6010E+01 O6 2188 15.999400 -0.847600 1.0629E+01 1.6023E+01 8.2498E+00 H1 2189 1.008000 0.423800 1.1152E+01 1.6093E+01 7.4004E+00 H2 2190 1.008000 0.423800 1.1236E+01 1.6179E+01 9.0289E+00 O6 2191 15.999400 -0.847600 5.2990E+00 -5.4381E+00 -1.5562E+01 H1 2192 1.008000 0.423800 6.0197E+00 -5.0087E+00 -1.5018E+01 H2 2193 1.008000 0.423800 5.2303E+00 -6.4059E+00 -1.5320E+01 O6 2194 15.999400 -0.847600 -1.1851E+01 -1.6676E+01 1.0271E+01 H1 2195 1.008000 0.423800 -1.1565E+01 -1.7633E+01 1.0319E+01 H2 2196 1.008000 0.423800 -1.2731E+01 -1.6568E+01 1.0734E+01 O6 2197 15.999400 -0.847600 -1.2131E+01 6.9280E+00 -1.7391E+01 H1 2198 1.008000 0.423800 -1.1344E+01 6.6892E+00 -1.6822E+01 H2 2199 1.008000 0.423800 -1.1836E+01 7.5303E+00 -1.8133E+01 O6 2200 15.999400 -0.847600 -7.1497E+00 9.7374E+00 1.4156E+01 H1 2201 1.008000 0.423800 -6.6687E+00 1.0280E+01 1.3467E+01 H2 2202 1.008000 0.423800 -7.2375E+00 8.7943E+00 1.3835E+01 O6 2203 15.999400 -0.847600 1.6409E+01 -1.0834E+01 1.8199E+01 H1 2204 1.008000 0.423800 1.6023E+01 -1.1198E+01 1.7352E+01 H2 2205 1.008000 0.423800 1.6842E+01 -1.1574E+01 1.8714E+01 O6 2206 15.999400 -0.847600 -2.9879E+00 -1.2567E+01 1.8545E+01 H1 2207 1.008000 0.423800 -3.1687E+00 -1.1977E+01 1.9332E+01 H2 2208 1.008000 0.423800 -2.1845E+00 -1.2231E+01 1.8053E+01 O6 2209 15.999400 -0.847600 1.0876E+01 1.3141E+00 1.7329E+01 H1 2210 1.008000 0.423800 1.1594E+01 6.4369E-01 1.7515E+01 H2 2211 1.008000 0.423800 1.0318E+01 1.4413E+00 1.8149E+01 O6 2212 15.999400 -0.847600 1.7049E+01 1.0753E+00 1.8285E+01 H1 2213 1.008000 0.423800 1.6227E+01 1.1326E+00 1.8851E+01 H2 2214 1.008000 0.423800 1.7471E+01 1.9794E+00 1.8218E+01 O6 2215 15.999400 -0.847600 -1.0452E+00 1.6531E+01 -1.6224E+01 H1 2216 1.008000 0.423800 -1.1372E+00 1.7059E+01 -1.7067E+01 H2 2217 1.008000 0.423800 -2.3951E-01 1.5941E+01 -1.6286E+01 O6 2218 15.999400 -0.847600 -1.2849E+01 -9.9412E+00 -1.0161E+01 H1 2219 1.008000 0.423800 -1.3812E+01 -1.0212E+01 -1.0162E+01 H2 2220 1.008000 0.423800 -1.2766E+01 -9.0063E+00 -9.8161E+00 O6 2221 15.999400 -0.847600 -1.5179E+01 4.4560E+00 2.7817E+00 H1 2222 1.008000 0.423800 -1.5748E+01 5.2784E+00 2.7852E+00 H2 2223 1.008000 0.423800 -1.5542E+01 3.7974E+00 3.4413E+00 O6 2224 15.999400 -0.847600 7.2988E+00 -1.5655E+01 -4.9920E+00 H1 2225 1.008000 0.423800 6.5109E+00 -1.5454E+01 -4.4101E+00 H2 2226 1.008000 0.423800 7.4218E+00 -1.4916E+01 -5.6540E+00 O6 2227 15.999400 -0.847600 4.7513E+00 -1.1211E+01 -1.6318E+01 H1 2228 1.008000 0.423800 4.8316E+00 -1.0224E+01 -1.6456E+01 H2 2229 1.008000 0.423800 5.4285E+00 -1.1510E+01 -1.5646E+01 O6 2230 15.999400 -0.847600 -1.1874E+01 8.3679E+00 4.8233E-01 H1 2231 1.008000 0.423800 -1.1820E+01 7.3765E+00 6.0204E-01 H2 2232 1.008000 0.423800 -1.1935E+01 8.5831E+00 -4.9232E-01 O6 2233 15.999400 -0.847600 -1.6699E+01 1.2463E+01 4.4536E+00 H1 2234 1.008000 0.423800 -1.6260E+01 1.2432E+01 3.5557E+00 H2 2235 1.008000 0.423800 -1.7092E+01 1.1568E+01 4.6642E+00 O6 2236 15.999400 -0.847600 -1.0623E+01 -2.6300E+00 -1.5121E+01 H1 2237 1.008000 0.423800 -9.7564E+00 -3.1288E+00 -1.5115E+01 H2 2238 1.008000 0.423800 -1.1075E+01 -2.7586E+00 -1.6004E+01 O6 2239 15.999400 -0.847600 -7.2319E+00 -1.6945E+01 -9.4850E+00 H1 2240 1.008000 0.423800 -8.0816E+00 -1.6930E+01 -8.9580E+00 H2 2241 1.008000 0.423800 -6.6167E+00 -1.7636E+01 -9.1059E+00 O6 2242 15.999400 -0.847600 1.5528E+01 1.1944E+01 5.2392E+00 H1 2243 1.008000 0.423800 1.4606E+01 1.2211E+01 4.9592E+00 H2 2244 1.008000 0.423800 1.5947E+01 1.1390E+01 4.5201E+00 O6 2245 15.999400 -0.847600 1.7894E+01 -8.4327E+00 -1.2246E+01 H1 2246 1.008000 0.423800 1.7694E+01 -7.9211E+00 -1.3081E+01 H2 2247 1.008000 0.423800 1.7476E+01 -7.9703E+00 -1.1464E+01 O6 2248 15.999400 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1.8224E+01 -1.7528E+01 3.0368E+00 H2 2265 1.008000 0.423800 1.7038E+01 -1.7501E+01 4.1583E+00 O6 2266 15.999400 -0.847600 -1.6737E+01 1.8754E+00 -1.0504E+01 H1 2267 1.008000 0.423800 -1.7173E+01 2.7411E+00 -1.0749E+01 H2 2268 1.008000 0.423800 -1.5839E+01 2.0567E+00 -1.0102E+01 O6 2269 15.999400 -0.847600 1.5733E+01 1.7550E+01 1.0197E+01 H1 2270 1.008000 0.423800 1.6120E+01 1.8059E+01 1.0967E+01 H2 2271 1.008000 0.423800 1.5793E+01 1.8105E+01 9.3675E+00 O6 2272 15.999400 -0.847600 -3.3022E+00 1.3795E+01 1.0270E+01 H1 2273 1.008000 0.423800 -3.8115E+00 1.4457E+01 1.0820E+01 H2 2274 1.008000 0.423800 -2.4620E+00 1.4219E+01 9.9318E+00 O6 2275 15.999400 -0.847600 1.9114E+01 -1.9455E+01 -1.7551E+01 H1 2276 1.008000 0.423800 1.9322E+01 -1.9323E+01 -1.6582E+01 H2 2277 1.008000 0.423800 1.8427E+01 -1.8788E+01 -1.7839E+01 O6 2278 15.999400 -0.847600 -1.1311E+00 1.4896E+01 9.2764E+00 H1 2279 1.008000 0.423800 -5.3028E-01 1.5221E+01 1.0007E+01 H2 2280 1.008000 0.423800 -9.7344E-01 1.5437E+01 8.4499E+00 O6 2281 15.999400 -0.847600 -1.5208E+01 1.2841E+01 -1.8902E+01 H1 2282 1.008000 0.423800 -1.4434E+01 1.3388E+01 -1.9221E+01 H2 2283 1.008000 0.423800 -1.5883E+01 1.2760E+01 1.9462E+01 O6 2284 15.999400 -0.847600 -1.4777E+01 8.0935E+00 1.7010E+01 H1 2285 1.008000 0.423800 -1.4971E+01 8.8536E+00 1.6389E+01 H2 2286 1.008000 0.423800 -1.3813E+01 8.1165E+00 1.7274E+01 O6 2287 15.999400 -0.847600 1.7668E+01 1.6043E+01 -1.5003E+01 H1 2288 1.008000 0.423800 1.8520E+01 1.6491E+01 -1.5274E+01 H2 2289 1.008000 0.423800 1.7667E+01 1.5099E+01 -1.5335E+01 O6 2290 15.999400 -0.847600 1.1021E+01 -1.3197E+01 -7.1703E+00 H1 2291 1.008000 0.423800 1.1876E+01 -1.2759E+01 -7.4469E+00 H2 2292 1.008000 0.423800 1.0575E+01 -1.2644E+01 -6.4670E+00 O6 2293 15.999400 -0.847600 2.7234E+00 -1.7173E+01 1.2890E+01 H1 2294 1.008000 0.423800 3.3424E+00 -1.7625E+01 1.2248E+01 H2 2295 1.008000 0.423800 3.1494E+00 -1.7137E+01 1.3794E+01 O6 2296 15.999400 -0.847600 -3.2506E-01 -1.3612E+01 1.6763E+00 H1 2297 1.008000 0.423800 -1.2870E+00 -1.3552E+01 1.9430E+00 H2 2298 1.008000 0.423800 -1.3925E-01 -1.2951E+01 9.4909E-01 O6 2299 15.999400 -0.847600 9.6660E+00 -1.1921E+01 -1.5607E+01 H1 2300 1.008000 0.423800 9.3365E+00 -1.1036E+01 -1.5937E+01 H2 2301 1.008000 0.423800 1.0506E+01 -1.2166E+01 -1.6091E+01 O6 2302 15.999400 -0.847600 -6.5701E+00 4.1311E+00 7.1825E+00 H1 2303 1.008000 0.423800 -5.7498E+00 4.7029E+00 7.1943E+00 H2 2304 1.008000 0.423800 -7.3396E+00 4.6443E+00 7.5626E+00 O6 2305 15.999400 -0.847600 3.9301E+00 3.8435E+00 2.1657E+00 H1 2306 1.008000 0.423800 3.5451E+00 2.9206E+00 2.1562E+00 H2 2307 1.008000 0.423800 4.9098E+00 3.7979E+00 1.9703E+00 O6 2308 15.999400 -0.847600 -9.1238E+00 1.5654E+01 -1.8568E+01 H1 2309 1.008000 0.423800 -9.6288E+00 1.4835E+01 -1.8839E+01 H2 2310 1.008000 0.423800 -9.7623E+00 1.6337E+01 -1.8211E+01 O6 2311 15.999400 -0.847600 1.0686E+01 -1.1149E+01 -9.3809E+00 H1 2312 1.008000 0.423800 1.0876E+01 -1.0598E+01 -1.0194E+01 H2 2313 1.008000 0.423800 1.0124E+01 -1.1936E+01 -9.6354E+00 O6 2314 15.999400 -0.847600 -9.1907E+00 -4.6889E-01 1.1381E+01 H1 2315 1.008000 0.423800 -9.5712E+00 3.8370E-01 1.1023E+01 H2 2316 1.008000 0.423800 -9.6725E+00 -1.2454E+00 1.0975E+01 O6 2317 15.999400 -0.847600 -9.0649E+00 -9.3065E+00 -3.8282E-01 H1 2318 1.008000 0.423800 -8.8402E+00 -8.3729E+00 -6.6196E-01 H2 2319 1.008000 0.423800 -9.6810E+00 -9.2798E+00 4.0435E-01 O6 2320 15.999400 -0.847600 -5.5539E+00 -2.8520E+00 1.8594E+01 H1 2321 1.008000 0.423800 -6.3520E+00 -3.3096E+00 1.8202E+01 H2 2322 1.008000 0.423800 -4.9430E+00 -2.5592E+00 1.7859E+01 O6 2323 15.999400 -0.847600 1.2327E+01 2.9286E+00 -1.7062E+01 H1 2324 1.008000 0.423800 1.1870E+01 3.5650E+00 -1.7683E+01 H2 2325 1.008000 0.423800 1.3008E+01 3.4221E+00 -1.6522E+01 O6 2326 15.999400 -0.847600 2.2901E+00 -1.8456E+01 4.3388E+00 H1 2327 1.008000 0.423800 3.2426E+00 -1.8584E+01 4.6150E+00 H2 2328 1.008000 0.423800 2.2555E+00 -1.7898E+01 3.5097E+00 O6 2329 15.999400 -0.847600 -1.7446E+00 2.1035E+00 1.6031E+01 H1 2330 1.008000 0.423800 -2.4774E+00 1.9462E+00 1.6693E+01 H2 2331 1.008000 0.423800 -2.0203E+00 2.8226E+00 1.5393E+01 O6 2332 15.999400 -0.847600 1.9239E+01 -6.0064E+00 -4.2815E+00 H1 2333 1.008000 0.423800 -1.9284E+01 -5.6271E+00 -5.0069E+00 H2 2334 1.008000 0.423800 1.9512E+01 -5.6170E+00 -3.4020E+00 O6 2335 15.999400 -0.847600 -5.2401E+00 2.3750E+00 5.8347E+00 H1 2336 1.008000 0.423800 -5.7755E+00 1.5326E+00 5.8956E+00 H2 2337 1.008000 0.423800 -5.7934E+00 3.1451E+00 6.1521E+00 O6 2338 15.999400 -0.847600 1.2858E+00 1.0143E+01 -1.5314E+01 H1 2339 1.008000 0.423800 1.2374E+00 9.3916E+00 -1.5972E+01 H2 2340 1.008000 0.423800 3.7753E-01 1.0546E+01 -1.5200E+01 O6 2341 15.999400 -0.847600 -1.6591E+01 -4.6335E+00 1.2801E+01 H1 2342 1.008000 0.423800 -1.7444E+01 -4.6085E+00 1.2280E+01 H2 2343 1.008000 0.423800 -1.6136E+01 -3.7449E+00 1.2739E+01 O6 2344 15.999400 -0.847600 -1.6893E+01 1.3271E+01 1.8085E+01 H1 2345 1.008000 0.423800 -1.7164E+01 1.4199E+01 1.7831E+01 H2 2346 1.008000 0.423800 -1.7710E+01 1.2710E+01 1.8220E+01 O6 2347 15.999400 -0.847600 -1.8555E+01 -1.0524E+01 -8.6981E+00 H1 2348 1.008000 0.423800 -1.8876E+01 -1.1274E+01 -9.2771E+00 H2 2349 1.008000 0.423800 -1.9338E+01 -1.0078E+01 -8.2652E+00 O6 2350 15.999400 -0.847600 -1.5686E+01 7.1256E-01 4.8909E+00 H1 2351 1.008000 0.423800 -1.6137E+01 3.5362E-01 5.7080E+00 H2 2352 1.008000 0.423800 -1.4792E+01 1.0848E+00 5.1401E+00 O6 2353 15.999400 -0.847600 1.3744E+01 -1.5492E+00 -1.5382E+01 H1 2354 1.008000 0.423800 1.3232E+01 -7.1266E-01 -1.5185E+01 H2 2355 1.008000 0.423800 1.3527E+01 -1.8619E+00 -1.6307E+01 O6 2356 15.999400 -0.847600 1.0177E+00 -8.6143E+00 -6.4688E+00 H1 2357 1.008000 0.423800 1.2828E+00 -8.0348E+00 -5.6981E+00 H2 2358 1.008000 0.423800 2.0731E-01 -9.1459E+00 -6.2228E+00 O6 2359 15.999400 -0.847600 1.5992E+01 1.5357E+01 1.3119E+01 H1 2360 1.008000 0.423800 1.5995E+01 1.5493E+01 1.4110E+01 H2 2361 1.008000 0.423800 1.6853E+01 1.4933E+01 1.2839E+01 O6 2362 15.999400 -0.847600 -7.6310E+00 1.9021E+01 -7.4599E-01 H1 2363 1.008000 0.423800 -7.9029E+00 -1.9229E+01 -1.2017E+00 H2 2364 1.008000 0.423800 -8.4456E+00 1.8544E+01 -4.1685E-01 O6 2365 15.999400 -0.847600 -1.8972E+01 2.0165E+00 -8.4886E+00 H1 2366 1.008000 0.423800 -1.8098E+01 1.7834E+00 -8.0611E+00 H2 2367 1.008000 0.423800 1.9445E+01 1.3220E+00 -8.2558E+00 O6 2368 15.999400 -0.847600 9.8592E-01 -1.4616E+01 9.8186E+00 H1 2369 1.008000 0.423800 2.8003E-01 -1.3940E+01 1.0028E+01 H2 2370 1.008000 0.423800 7.2334E-01 -1.5130E+01 9.0016E+00 O6 2371 15.999400 -0.847600 -7.0388E+00 8.4631E+00 1.9177E+01 H1 2372 1.008000 0.423800 -7.2667E+00 7.5054E+00 1.9001E+01 H2 2373 1.008000 0.423800 -7.2632E+00 9.0123E+00 1.8372E+01 O6 2374 15.999400 -0.847600 -3.9144E+00 -1.3358E+00 4.1032E+00 H1 2375 1.008000 0.423800 -4.0323E+00 -1.4228E+00 5.0924E+00 H2 2376 1.008000 0.423800 -4.7895E+00 -1.4992E+00 3.6477E+00 O6 2377 15.999400 -0.847600 -8.0706E+00 1.7970E+01 1.2890E+01 H1 2378 1.008000 0.423800 -7.9114E+00 1.8310E+01 1.3817E+01 H2 2379 1.008000 0.423800 -8.2694E+00 1.8739E+01 1.2283E+01 O6 2380 15.999400 -0.847600 -1.2698E+01 1.6527E+01 1.0392E+01 H1 2381 1.008000 0.423800 -1.3100E+01 1.5632E+01 1.0200E+01 H2 2382 1.008000 0.423800 -1.2078E+01 1.6781E+01 9.6496E+00 O6 2383 15.999400 -0.847600 1.5105E+01 -1.9386E+01 8.3506E+00 H1 2384 1.008000 0.423800 1.5470E+01 1.9494E+01 7.4450E+00 H2 2385 1.008000 0.423800 1.4108E+01 -1.9329E+01 8.3035E+00 O6 2386 15.999400 -0.847600 1.0814E+01 3.6222E+00 1.2036E+01 H1 2387 1.008000 0.423800 1.0749E+01 3.1593E+00 1.2920E+01 H2 2388 1.008000 0.423800 1.1674E+01 4.1315E+00 1.1990E+01 O6 2389 15.999400 -0.847600 -1.8296E+01 -1.8488E+01 -2.8123E+00 H1 2390 1.008000 0.423800 -1.8376E+01 -1.8985E+01 -1.9483E+00 H2 2391 1.008000 0.423800 -1.7366E+01 -1.8585E+01 -3.1678E+00 O6 2392 15.999400 -0.847600 4.6201E+00 4.4851E+00 -2.5449E+00 H1 2393 1.008000 0.423800 4.9040E+00 5.4363E+00 -2.6664E+00 H2 2394 1.008000 0.423800 5.1889E+00 4.0545E+00 -1.8442E+00 O6 2395 15.999400 -0.847600 5.6793E+00 8.5602E-01 -4.4693E+00 H1 2396 1.008000 0.423800 6.1624E+00 1.6873E+00 -4.7444E+00 H2 2397 1.008000 0.423800 6.3378E+00 1.8539E-01 -4.1279E+00 O6 2398 15.999400 -0.847600 -1.5787E+01 6.4467E+00 -4.7176E+00 H1 2399 1.008000 0.423800 -1.6429E+01 6.9674E+00 -4.1540E+00 H2 2400 1.008000 0.423800 -1.5254E+01 7.0758E+00 -5.2835E+00 O6 2401 15.999400 -0.847600 -6.4092E+00 -2.5320E+00 -4.2981E-01 H1 2402 1.008000 0.423800 -7.2384E+00 -2.7648E+00 -9.3798E-01 H2 2403 1.008000 0.423800 -6.2159E+00 -1.5567E+00 -5.3634E-01 O6 2404 15.999400 -0.847600 -1.2429E+01 1.5018E+00 2.0075E+00 H1 2405 1.008000 0.423800 -1.2636E+01 1.3479E+00 2.9737E+00 H2 2406 1.008000 0.423800 -1.2874E+01 2.3432E+00 1.7012E+00 O6 2407 15.999400 -0.847600 -1.4878E+01 8.2576E+00 -1.7991E+01 H1 2408 1.008000 0.423800 -1.4623E+01 7.3933E+00 -1.7558E+01 H2 2409 1.008000 0.423800 -1.5528E+01 8.0806E+00 -1.8730E+01 O6 2410 15.999400 -0.847600 -8.1771E+00 -1.7773E+00 -1.2625E+01 H1 2411 1.008000 0.423800 -8.0365E+00 -1.9871E+00 -1.3593E+01 H2 2412 1.008000 0.423800 -9.1396E+00 -1.5558E+00 -1.2469E+01 O6 2413 15.999400 -0.847600 -1.8195E+01 7.1562E+00 1.3889E+01 H1 2414 1.008000 0.423800 -1.7635E+01 6.7503E+00 1.4610E+01 H2 2415 1.008000 0.423800 -1.7626E+01 7.7480E+00 1.3318E+01 O6 2416 15.999400 -0.847600 1.0218E+00 -1.0647E+01 1.7995E-01 H1 2417 1.008000 0.423800 4.0110E-01 -1.0351E+01 -5.4594E-01 H2 2418 1.008000 0.423800 7.3133E-01 -1.0249E+01 1.0500E+00 O6 2419 15.999400 -0.847600 1.1836E+01 -4.1592E+00 9.4188E-01 H1 2420 1.008000 0.423800 1.1377E+01 -5.0453E+00 1.0103E+00 H2 2421 1.008000 0.423800 1.2351E+01 -4.1158E+00 8.5826E-02 O6 2422 15.999400 -0.847600 -9.5377E+00 -1.0963E+01 9.5784E+00 H1 2423 1.008000 0.423800 -9.9252E+00 -1.1465E+01 1.0352E+01 H2 2424 1.008000 0.423800 -1.0238E+01 -1.0841E+01 8.8755E+00 O6 2425 15.999400 -0.847600 -1.6748E+01 4.3593E+00 -6.3239E+00 H1 2426 1.008000 0.423800 -1.6391E+01 5.1400E+00 -5.8107E+00 H2 2427 1.008000 0.423800 -1.7569E+01 4.6358E+00 -6.8232E+00 O6 2428 15.999400 -0.847600 -1.5113E+01 -1.4557E+01 8.8243E+00 H1 2429 1.008000 0.423800 -1.4748E+01 -1.4109E+01 8.0085E+00 H2 2430 1.008000 0.423800 -1.5209E+01 -1.5538E+01 8.6508E+00 O6 2431 15.999400 -0.847600 -1.9150E+01 7.8809E+00 1.1544E+00 H1 2432 1.008000 0.423800 1.9120E+01 7.9066E+00 5.9377E-01 H2 2433 1.008000 0.423800 -1.8531E+01 8.6128E+00 8.6903E-01 O6 2434 15.999400 -0.847600 1.3378E+01 -9.1807E+00 2.3296E+00 H1 2435 1.008000 0.423800 1.3703E+01 -9.9704E+00 2.8499E+00 H2 2436 1.008000 0.423800 1.4155E+01 -8.7287E+00 1.8902E+00 O6 2437 15.999400 -0.847600 -1.4582E+01 -1.5950E+01 -1.7687E+01 H1 2438 1.008000 0.423800 -1.3719E+01 -1.6014E+01 -1.8188E+01 H2 2439 1.008000 0.423800 -1.5168E+01 -1.5264E+01 -1.8118E+01 O6 2440 15.999400 -0.847600 -1.7409E+01 -5.4276E+00 -1.8917E+01 H1 2441 1.008000 0.423800 -1.8143E+01 -4.7985E+00 -1.9174E+01 H2 2442 1.008000 0.423800 -1.7571E+01 -6.3193E+00 -1.9340E+01 O6 2443 15.999400 -0.847600 1.8577E+00 1.0609E+01 1.9180E+01 H1 2444 1.008000 0.423800 2.0707E+00 1.1543E+01 1.9469E+01 H2 2445 1.008000 0.423800 1.2061E+00 1.0636E+01 1.8422E+01 O6 2446 15.999400 -0.847600 1.7142E+01 -1.8838E-01 1.5233E+01 H1 2447 1.008000 0.423800 1.7550E+01 4.6519E-01 1.5871E+01 H2 2448 1.008000 0.423800 1.6314E+01 -5.7629E-01 1.5638E+01 O6 2449 15.999400 -0.847600 -1.1771E+01 -1.8103E+01 -1.7453E+01 H1 2450 1.008000 0.423800 -1.2143E+01 -1.8722E+01 -1.8144E+01 H2 2451 1.008000 0.423800 -1.2353E+01 -1.8122E+01 -1.6640E+01 O6 2452 15.999400 -0.847600 1.7512E+01 3.0579E+00 -6.4472E+00 H1 2453 1.008000 0.423800 1.6891E+01 3.1681E+00 -7.2235E+00 H2 2454 1.008000 0.423800 1.7772E+01 3.9582E+00 -6.0982E+00 O6 2455 15.999400 -0.847600 -8.6923E+00 9.0186E+00 -1.0748E+01 H1 2456 1.008000 0.423800 -8.5524E+00 9.3310E+00 -1.1688E+01 H2 2457 1.008000 0.423800 -8.2641E+00 9.6637E+00 -1.0115E+01 O6 2458 15.999400 -0.847600 9.5389E+00 -1.7081E+01 8.8630E+00 H1 2459 1.008000 0.423800 8.6456E+00 -1.6684E+01 8.6526E+00 H2 2460 1.008000 0.423800 9.4912E+00 -1.7564E+01 9.7371E+00 O6 2461 15.999400 -0.847600 -1.3236E+01 1.7928E+00 -1.7229E+01 H1 2462 1.008000 0.423800 -1.2277E+01 1.9899E+00 -1.7027E+01 H2 2463 1.008000 0.423800 -1.3299E+01 1.2958E+00 -1.8095E+01 O6 2464 15.999400 -0.847600 1.6560E+01 1.8133E+01 -2.0688E+00 H1 2465 1.008000 0.423800 1.7185E+01 1.8150E+01 -1.2888E+00 H2 2466 1.008000 0.423800 1.6180E+01 1.7214E+01 -2.1719E+00 O6 2467 15.999400 -0.847600 -1.7188E+01 1.4768E+01 -1.7544E+01 H1 2468 1.008000 0.423800 -1.7151E+01 1.4632E+01 -1.6554E+01 H2 2469 1.008000 0.423800 -1.6357E+01 1.4403E+01 -1.7962E+01 O6 2470 15.999400 -0.847600 1.7170E+01 9.1856E+00 1.6721E+00 H1 2471 1.008000 0.423800 1.7007E+01 8.5410E+00 9.2515E-01 H2 2472 1.008000 0.423800 1.7647E+01 8.7191E+00 2.4168E+00 O6 2473 15.999400 -0.847600 -1.4976E+00 1.4449E+01 -6.8178E+00 H1 2474 1.008000 0.423800 -1.7006E+00 1.5424E+01 -6.7290E+00 H2 2475 1.008000 0.423800 -6.2147E-01 1.4249E+01 -6.3789E+00 O6 2476 15.999400 -0.847600 -5.6020E+00 -1.0432E+01 -2.9219E+00 H1 2477 1.008000 0.423800 -4.9102E+00 -1.0926E+01 -3.4481E+00 H2 2478 1.008000 0.423800 -5.6354E+00 -1.0795E+01 -1.9909E+00 O6 2479 15.999400 -0.847600 3.4584E+00 1.4264E+01 1.7955E+01 H1 2480 1.008000 0.423800 4.3886E+00 1.4628E+01 1.8001E+01 H2 2481 1.008000 0.423800 3.0429E+00 1.4521E+01 1.7083E+01 O6 2482 15.999400 -0.847600 -6.6954E+00 1.8625E+01 -7.9435E+00 H1 2483 1.008000 0.423800 -7.0865E+00 1.8120E+01 -8.7132E+00 H2 2484 1.008000 0.423800 -6.4705E+00 1.7987E+01 -7.2067E+00 O6 2485 15.999400 -0.847600 1.7464E+01 9.7104E+00 -1.4659E+01 H1 2486 1.008000 0.423800 1.6923E+01 1.0514E+01 -1.4905E+01 H2 2487 1.008000 0.423800 1.7856E+01 9.3063E+00 -1.5486E+01 O6 2488 15.999400 -0.847600 -4.1389E+00 -9.2997E+00 7.5462E-01 H1 2489 1.008000 0.423800 -4.8275E+00 -8.6636E+00 1.1027E+00 H2 2490 1.008000 0.423800 -3.2863E+00 -9.1788E+00 1.2629E+00 O6 2491 15.999400 -0.847600 -6.6288E+00 6.2298E+00 -1.6543E+00 H1 2492 1.008000 0.423800 -7.1112E+00 7.1018E+00 -1.5704E+00 H2 2493 1.008000 0.423800 -7.1010E+00 5.6504E+00 -2.3186E+00 O6 2494 15.999400 -0.847600 3.4750E-02 -1.8332E+01 -6.7064E+00 H1 2495 1.008000 0.423800 1.1707E-01 -1.9189E+01 -6.1985E+00 H2 2496 1.008000 0.423800 5.8262E-01 -1.8385E+01 -7.5413E+00 O6 2497 15.999400 -0.847600 -7.6905E+00 -4.3847E+00 1.2060E+01 H1 2498 1.008000 0.423800 -7.9044E+00 -4.5848E+00 1.3016E+01 H2 2499 1.008000 0.423800 -8.3903E+00 -3.7789E+00 1.1681E+01 O6 2500 15.999400 -0.847600 1.1891E+00 -2.3855E-01 1.6659E+01 H1 2501 1.008000 0.423800 8.4338E-01 -1.2052E-01 1.7590E+01 H2 2502 1.008000 0.423800 1.2088E+00 6.4758E-01 1.6196E+01 O6 2503 15.999400 -0.847600 -2.7050E+00 -5.7488E+00 -9.1409E+00 H1 2504 1.008000 0.423800 -2.2829E+00 -5.3933E+00 -8.3069E+00 H2 2505 1.008000 0.423800 -2.3285E+00 -6.6522E+00 -9.3459E+00 O6 2506 15.999400 -0.847600 -2.3388E+00 2.1653E+00 2.0614E+00 H1 2507 1.008000 0.423800 -3.0699E+00 2.3216E+00 1.3972E+00 H2 2508 1.008000 0.423800 -2.5918E+00 2.5746E+00 2.9380E+00 O6 2509 15.999400 -0.847600 1.5350E+01 -1.2748E+01 1.6425E+01 H1 2510 1.008000 0.423800 1.6129E+01 -1.3339E+01 1.6635E+01 H2 2511 1.008000 0.423800 1.5105E+01 -1.2851E+01 1.5461E+01 O6 2512 15.999400 -0.847600 -4.9986E+00 -1.7278E+01 1.6738E+01 H1 2513 1.008000 0.423800 -4.7574E+00 -1.6728E+01 1.7537E+01 H2 2514 1.008000 0.423800 -5.7227E+00 -1.6819E+01 1.6223E+01 O6 2515 15.999400 -0.847600 1.7812E+00 -1.6566E+01 -2.3334E+00 H1 2516 1.008000 0.423800 1.8735E+00 -1.5580E+01 -2.1950E+00 H2 2517 1.008000 0.423800 1.4907E+00 -1.6997E+01 -1.4790E+00 O6 2518 15.999400 -0.847600 8.9100E+00 -9.1823E+00 -3.0111E+00 H1 2519 1.008000 0.423800 8.0875E+00 -9.5262E+00 -2.5581E+00 H2 2520 1.008000 0.423800 9.6093E+00 -8.9819E+00 -2.3250E+00 O6 2521 15.999400 -0.847600 -1.1480E+01 -1.5332E+01 5.0118E+00 H1 2522 1.008000 0.423800 -1.0532E+01 -1.5343E+01 5.3290E+00 H2 2523 1.008000 0.423800 -1.1568E+01 -1.5915E+01 4.2040E+00 O6 2524 15.999400 -0.847600 1.8565E+01 -1.1538E+01 -5.3533E+00 H1 2525 1.008000 0.423800 1.8242E+01 -1.2458E+01 -5.1302E+00 H2 2526 1.008000 0.423800 1.8245E+01 -1.0895E+01 -4.6572E+00 O6 2527 15.999400 -0.847600 1.8013E+01 -5.0420E+00 3.8736E-01 H1 2528 1.008000 0.423800 1.8531E+01 -5.4326E+00 -3.7383E-01 H2 2529 1.008000 0.423800 1.8595E+01 -4.4065E+00 8.9486E-01 O6 2530 15.999400 -0.847600 8.6543E+00 -5.1438E+00 -1.8245E+00 H1 2531 1.008000 0.423800 8.3908E+00 -5.5617E+00 -9.5504E-01 H2 2532 1.008000 0.423800 9.4096E+00 -5.6606E+00 -2.2273E+00 O6 2533 15.999400 -0.847600 -9.2375E-01 1.4414E+01 1.7233E+01 H1 2534 1.008000 0.423800 -7.5988E-01 1.4948E+01 1.8063E+01 H2 2535 1.008000 0.423800 -1.8955E+00 1.4450E+01 1.7000E+01 O6 2536 15.999400 -0.847600 2.7765E-01 2.1214E-01 1.9251E+01 H1 2537 1.008000 0.423800 -6.2411E-01 6.9212E-02 1.8843E+01 H2 2538 1.008000 0.423800 2.9055E-01 -1.7228E-01 -1.8924E+01 O6 2539 15.999400 -0.847600 1.3411E+01 1.4848E+01 1.7552E+01 H1 2540 1.008000 0.423800 1.4054E+01 1.5599E+01 1.7397E+01 H2 2541 1.008000 0.423800 1.3631E+01 1.4090E+01 1.6938E+01 O6 2542 15.999400 -0.847600 -1.6907E+01 6.6560E+00 1.9519E+00 H1 2543 1.008000 0.423800 -1.6106E+01 6.9014E+00 1.4054E+00 H2 2544 1.008000 0.423800 -1.7706E+01 7.1515E+00 1.6126E+00 O6 2545 15.999400 -0.847600 -4.5016E+00 -1.4438E+01 -1.2405E+01 H1 2546 1.008000 0.423800 -5.1163E+00 -1.4823E+01 -1.3093E+01 H2 2547 1.008000 0.423800 -4.1543E+00 -1.3556E+01 -1.2725E+01 O6 2548 15.999400 -0.847600 -1.7729E+01 1.8618E+01 -7.3945E+00 H1 2549 1.008000 0.423800 -1.6733E+01 1.8599E+01 -7.4892E+00 H2 2550 1.008000 0.423800 -1.8016E+01 1.7905E+01 -6.7550E+00 O6 2551 15.999400 -0.847600 1.4132E+01 -6.0900E+00 1.1304E+01 H1 2552 1.008000 0.423800 1.4938E+01 -6.5394E+00 1.1689E+01 H2 2553 1.008000 0.423800 1.4419E+01 -5.4171E+00 1.0623E+01 O6 2554 15.999400 -0.847600 -2.3841E+00 -1.0390E+01 1.0208E+01 H1 2555 1.008000 0.423800 -3.1332E+00 -1.0857E+01 9.7385E+00 H2 2556 1.008000 0.423800 -1.8038E+00 -9.9305E+00 9.5361E+00 O6 2557 15.999400 -0.847600 -1.8266E+01 -1.5955E+01 -1.7510E+01 H1 2558 1.008000 0.423800 -1.7940E+01 -1.6053E+01 -1.8450E+01 H2 2559 1.008000 0.423800 -1.7840E+01 -1.6654E+01 -1.6935E+01 O6 2560 15.999400 -0.847600 4.1499E+00 1.9047E+01 -1.7426E-01 H1 2561 1.008000 0.423800 3.3288E+00 1.8787E+01 3.3385E-01 H2 2562 1.008000 0.423800 4.9613E+00 1.8814E+01 3.6175E-01 O6 2563 15.999400 -0.847600 -5.1188E+00 1.7437E+01 8.3786E+00 H1 2564 1.008000 0.423800 -5.4232E+00 1.6628E+01 7.8743E+00 H2 2565 1.008000 0.423800 -5.6086E+00 1.7490E+01 9.2488E+00 O6 2566 15.999400 -0.847600 6.4525E+00 -1.0776E+01 -1.9176E+00 H1 2567 1.008000 0.423800 6.7583E+00 -1.1666E+01 -1.5808E+00 H2 2568 1.008000 0.423800 6.0072E+00 -1.0274E+01 -1.1761E+00 O6 2569 15.999400 -0.847600 -2.2749E-01 1.3794E+01 -9.4580E+00 H1 2570 1.008000 0.423800 -5.5903E-01 1.3753E+01 -8.5154E+00 H2 2571 1.008000 0.423800 4.9879E-01 1.4478E+01 -9.5264E+00 O6 2572 15.999400 -0.847600 5.3253E+00 -1.3897E+01 1.1524E+01 H1 2573 1.008000 0.423800 5.1805E+00 -1.3477E+01 1.2420E+01 H2 2574 1.008000 0.423800 4.6104E+00 -1.4576E+01 1.1355E+01 O6 2575 15.999400 -0.847600 -1.4038E+01 -1.4759E+00 3.8243E+00 H1 2576 1.008000 0.423800 -1.4253E+01 -5.0366E-01 3.9172E+00 H2 2577 1.008000 0.423800 -1.3372E+01 -1.7382E+00 4.5226E+00 O6 2578 15.999400 -0.847600 -1.3805E+01 1.0414E+01 -1.9238E+01 H1 2579 1.008000 0.423800 -1.4528E+01 1.1104E+01 -1.9259E+01 H2 2580 1.008000 0.423800 -1.4153E+01 9.5781E+00 -1.8814E+01 O6 2581 15.999400 -0.847600 8.8967E+00 9.8109E+00 1.2421E+01 H1 2582 1.008000 0.423800 8.4794E+00 9.8157E+00 1.1512E+01 H2 2583 1.008000 0.423800 8.8697E+00 8.8840E+00 1.2795E+01 O6 2584 15.999400 -0.847600 -1.5105E+01 5.1974E-01 1.4111E+01 H1 2585 1.008000 0.423800 -1.4108E+01 4.6504E-01 1.4059E+01 H2 2586 1.008000 0.423800 -1.5443E+01 1.1356E+00 1.3399E+01 O6 2587 15.999400 -0.847600 -1.7908E+01 -6.9687E+00 1.7036E+01 H1 2588 1.008000 0.423800 -1.7864E+01 -6.2728E+00 1.6319E+01 H2 2589 1.008000 0.423800 -1.7007E+01 -7.0735E+00 1.7455E+01 O6 2590 15.999400 -0.847600 -1.1929E+01 1.0208E+01 -1.7195E+01 H1 2591 1.008000 0.423800 -1.2066E+01 9.2549E+00 -1.6923E+01 H2 2592 1.008000 0.423800 -1.2561E+01 1.0436E+01 -1.7936E+01 O6 2593 15.999400 -0.847600 -2.6948E-01 1.2554E+01 4.2339E+00 H1 2594 1.008000 0.423800 2.8751E-01 1.2187E+01 4.9791E+00 H2 2595 1.008000 0.423800 -6.8808E-01 1.1799E+01 3.7283E+00 O6 2596 15.999400 -0.847600 -6.2538E+00 -1.3266E+00 1.0020E+01 H1 2597 1.008000 0.423800 -5.9739E+00 -5.5247E-01 9.4523E+00 H2 2598 1.008000 0.423800 -5.4825E+00 -1.6229E+00 1.0583E+01 O6 2599 15.999400 -0.847600 9.8333E+00 2.3174E+00 -5.6498E-01 H1 2600 1.008000 0.423800 1.0810E+01 2.1784E+00 -7.2905E-01 H2 2601 1.008000 0.423800 9.5792E+00 1.8999E+00 3.0743E-01 O6 2602 15.999400 -0.847600 -4.4559E-01 -1.8665E+01 8.8729E+00 H1 2603 1.008000 0.423800 3.0737E-01 -1.9323E+01 8.8751E+00 H2 2604 1.008000 0.423800 -1.3006E+00 -1.9138E+01 8.6596E+00 O6 2605 15.999400 -0.847600 -1.8943E+01 1.7881E+01 -9.6756E+00 H1 2606 1.008000 0.423800 -1.8651E+01 1.8234E+01 -8.7865E+00 H2 2607 1.008000 0.423800 -1.9137E+01 1.6903E+01 -9.5986E+00 O6 2608 15.999400 -0.847600 -1.1072E+01 -2.0941E+00 1.3751E+01 H1 2609 1.008000 0.423800 -1.0667E+01 -2.4649E+00 1.2915E+01 H2 2610 1.008000 0.423800 -1.0362E+01 -1.6443E+00 1.4294E+01 O6 2611 15.999400 -0.847600 4.4576E+00 8.5894E+00 -3.5238E+00 H1 2612 1.008000 0.423800 5.2605E+00 8.1461E+00 -3.1252E+00 H2 2613 1.008000 0.423800 4.4733E+00 8.4763E+00 -4.5172E+00 O6 2614 15.999400 -0.847600 8.5212E+00 -4.1406E+00 -1.7818E+01 H1 2615 1.008000 0.423800 9.3198E+00 -4.2046E+00 -1.7220E+01 H2 2616 1.008000 0.423800 8.8117E+00 -4.2229E+00 -1.8771E+01 O6 2617 15.999400 -0.847600 -3.8950E+00 1.6533E+01 -1.1815E+01 H1 2618 1.008000 0.423800 -4.2377E+00 1.7371E+01 -1.1392E+01 H2 2619 1.008000 0.423800 -3.2581E+00 1.6766E+01 -1.2550E+01 O6 2620 15.999400 -0.847600 -6.4010E+00 9.8545E+00 9.2898E+00 H1 2621 1.008000 0.423800 -5.4853E+00 9.5826E+00 9.5857E+00 H2 2622 1.008000 0.423800 -6.3441E+00 1.0708E+01 8.7720E+00 O6 2623 15.999400 -0.847600 1.0335E+01 -1.8100E+01 1.3597E+00 H1 2624 1.008000 0.423800 1.0148E+01 -1.7285E+01 8.1072E-01 H2 2625 1.008000 0.423800 1.1318E+01 -1.8166E+01 1.5320E+00 O6 2626 15.999400 -0.847600 3.6291E+00 1.3346E+01 -1.7238E+01 H1 2627 1.008000 0.423800 3.6412E+00 1.2440E+01 -1.6814E+01 H2 2628 1.008000 0.423800 2.9219E+00 1.3374E+01 -1.7945E+01 O6 2629 15.999400 -0.847600 -1.9100E+01 -7.7485E+00 1.9264E+01 H1 2630 1.008000 0.423800 -1.9098E+01 -7.4131E+00 1.8322E+01 H2 2631 1.008000 0.423800 -1.9045E+01 -8.7470E+00 1.9262E+01 O6 2632 15.999400 -0.847600 -6.4051E+00 1.3780E+00 1.5632E+01 H1 2633 1.008000 0.423800 -5.5749E+00 1.2761E+00 1.5084E+01 H2 2634 1.008000 0.423800 -6.2318E+00 1.0553E+00 1.6563E+01 O6 2635 15.999400 -0.847600 5.7481E+00 1.6920E+01 -8.8254E+00 H1 2636 1.008000 0.423800 6.4573E+00 1.7624E+01 -8.8041E+00 H2 2637 1.008000 0.423800 5.4001E+00 1.6769E+01 -7.9001E+00 O6 2638 15.999400 -0.847600 -3.5213E+00 8.3919E+00 -9.3686E+00 H1 2639 1.008000 0.423800 -3.6768E+00 8.0615E+00 -1.0300E+01 H2 2640 1.008000 0.423800 -4.3231E+00 8.9021E+00 -9.0577E+00 O6 2641 15.999400 -0.847600 5.1904E+00 1.5617E+01 1.1281E+00 H1 2642 1.008000 0.423800 5.9536E+00 1.6042E+01 6.4119E-01 H2 2643 1.008000 0.423800 4.5106E+00 1.5297E+01 4.6811E-01 O6 2644 15.999400 -0.847600 -5.6123E+00 -1.1467E+01 -1.9214E+01 H1 2645 1.008000 0.423800 -6.3633E+00 -1.0848E+01 -1.8982E+01 H2 2646 1.008000 0.423800 -5.9804E+00 -1.2370E+01 -1.9435E+01 O6 2647 15.999400 -0.847600 -1.9317E+01 4.1430E+00 -1.6336E+01 H1 2648 1.008000 0.423800 -1.8764E+01 4.8778E+00 -1.5944E+01 H2 2649 1.008000 0.423800 1.9393E+01 3.5888E+00 -1.5599E+01 O6 2650 15.999400 -0.847600 -8.0113E-01 4.8592E+00 1.8995E+01 H1 2651 1.008000 0.423800 -1.1112E+00 4.5137E+00 1.8109E+01 H2 2652 1.008000 0.423800 -1.2418E-01 4.2314E+00 1.9379E+01 O6 2653 15.999400 -0.847600 -1.0115E+01 1.1720E+00 -1.3602E+01 H1 2654 1.008000 0.423800 -9.1815E+00 1.1545E+00 -1.3245E+01 H2 2655 1.008000 0.423800 -1.0508E+01 2.5373E-01 -1.3553E+01 O6 2656 15.999400 -0.847600 -8.3350E+00 5.4124E+00 8.5713E+00 H1 2657 1.008000 0.423800 -9.0930E+00 4.8674E+00 8.9297E+00 H2 2658 1.008000 0.423800 -8.5097E+00 6.3814E+00 8.7456E+00 O6 2659 15.999400 -0.847600 1.0058E+01 1.4852E+01 -3.8075E+00 H1 2660 1.008000 0.423800 1.0138E+01 1.3922E+01 -4.1665E+00 H2 2661 1.008000 0.423800 1.0298E+01 1.5508E+01 -4.5233E+00 O6 2662 15.999400 -0.847600 1.7641E+01 9.2526E+00 1.5745E+01 H1 2663 1.008000 0.423800 1.8106E+01 9.9045E+00 1.5146E+01 H2 2664 1.008000 0.423800 1.7789E+01 8.3237E+00 1.5406E+01 O6 2665 15.999400 -0.847600 -1.1901E+01 2.0449E+00 -9.1921E+00 H1 2666 1.008000 0.423800 -1.1632E+01 2.6214E+00 -9.9636E+00 H2 2667 1.008000 0.423800 -1.2444E+01 2.5832E+00 -8.5473E+00 O6 2668 15.999400 -0.847600 -1.5892E+01 1.3227E+01 -1.2925E+01 H1 2669 1.008000 0.423800 -1.5099E+01 1.2872E+01 -1.2431E+01 H2 2670 1.008000 0.423800 -1.6113E+01 1.2615E+01 -1.3684E+01 O6 2671 15.999400 -0.847600 1.3417E+01 5.3454E+00 1.7493E+01 H1 2672 1.008000 0.423800 1.2493E+01 4.9945E+00 1.7645E+01 H2 2673 1.008000 0.423800 1.4076E+01 4.7673E+00 1.7974E+01 O6 2674 15.999400 -0.847600 -1.4321E+01 -1.2509E+01 -8.1741E+00 H1 2675 1.008000 0.423800 -1.3698E+01 -1.2592E+01 -7.3961E+00 H2 2676 1.008000 0.423800 -1.4695E+01 -1.3408E+01 -8.3991E+00 O6 2677 15.999400 -0.847600 -4.5952E+00 3.2607E+00 -3.2442E+00 H1 2678 1.008000 0.423800 -4.1153E+00 2.5770E+00 -3.7941E+00 H2 2679 1.008000 0.423800 -5.0592E+00 3.9085E+00 -3.8483E+00 O6 2680 15.999400 -0.847600 -1.4486E+01 -9.6931E+00 2.3561E+00 H1 2681 1.008000 0.423800 -1.3810E+01 -1.0261E+01 2.8254E+00 H2 2682 1.008000 0.423800 -1.4604E+01 -1.0021E+01 1.4188E+00 O6 2683 15.999400 -0.847600 1.2283E+01 8.1777E+00 1.8466E+01 H1 2684 1.008000 0.423800 1.2706E+01 7.3230E+00 1.8166E+01 H2 2685 1.008000 0.423800 1.2736E+01 8.9490E+00 1.8018E+01 O6 2686 15.999400 -0.847600 -4.0828E+00 7.0909E+00 -1.1732E+01 H1 2687 1.008000 0.423800 -4.8814E+00 6.4966E+00 -1.1828E+01 H2 2688 1.008000 0.423800 -3.2503E+00 6.5378E+00 -1.1762E+01 O6 2689 15.999400 -0.847600 -1.8325E+01 -1.5095E+01 -6.5004E+00 H1 2690 1.008000 0.423800 -1.8189E+01 -1.6028E+01 -6.8344E+00 H2 2691 1.008000 0.423800 -1.8239E+01 -1.5082E+01 -5.5043E+00 O6 2692 15.999400 -0.847600 1.3702E+01 -1.1377E+01 8.6132E+00 H1 2693 1.008000 0.423800 1.3113E+01 -1.2137E+01 8.8880E+00 H2 2694 1.008000 0.423800 1.4378E+01 -1.1203E+01 9.3297E+00 O6 2695 15.999400 -0.847600 9.5060E-01 -1.1931E+01 -8.5989E+00 H1 2696 1.008000 0.423800 1.5739E+00 -1.2358E+01 -7.9437E+00 H2 2697 1.008000 0.423800 1.1609E+00 -1.0956E+01 -8.6727E+00 O6 2698 15.999400 -0.847600 -8.9602E+00 -7.7583E+00 1.6410E+01 H1 2699 1.008000 0.423800 -8.8515E+00 -8.5685E+00 1.6986E+01 H2 2700 1.008000 0.423800 -9.6907E+00 -7.9172E+00 1.5746E+01 O6 2701 15.999400 -0.847600 8.6036E+00 1.4632E+01 8.7382E-01 H1 2702 1.008000 0.423800 8.6135E+00 1.4708E+01 1.8709E+00 H2 2703 1.008000 0.423800 9.1924E+00 1.3874E+01 5.9160E-01 O6 2704 15.999400 -0.847600 1.2205E+01 -1.1597E+01 1.4879E+00 H1 2705 1.008000 0.423800 1.2536E+01 -1.2186E+01 7.5000E-01 H2 2706 1.008000 0.423800 1.2839E+01 -1.0835E+01 1.6151E+00 O6 2707 15.999400 -0.847600 1.8997E+01 2.2193E+00 -4.0639E+00 H1 2708 1.008000 0.423800 -1.9161E+01 2.5490E+00 -3.9739E+00 H2 2709 1.008000 0.423800 1.8710E+01 2.2891E+00 -5.0190E+00 O6 2710 15.999400 -0.847600 -7.8230E+00 -1.8021E+01 1.3310E+01 H1 2711 1.008000 0.423800 -6.8295E+00 -1.7997E+01 1.3199E+01 H2 2712 1.008000 0.423800 -8.2512E+00 -1.8250E+01 1.2436E+01 O6 2713 15.999400 -0.847600 -1.9248E+01 5.9291E+00 -1.2425E+01 H1 2714 1.008000 0.423800 -1.9354E+01 6.8901E+00 -1.2170E+01 H2 2715 1.008000 0.423800 1.9130E+01 5.3872E+00 -1.1991E+01 O6 2716 15.999400 -0.847600 1.2335E+01 1.9027E+01 8.2090E+00 H1 2717 1.008000 0.423800 1.1660E+01 1.8821E+01 8.9174E+00 H2 2718 1.008000 0.423800 1.2829E+01 1.8192E+01 7.9663E+00 O6 2719 15.999400 -0.847600 -5.5809E+00 -7.6019E+00 -6.6083E+00 H1 2720 1.008000 0.423800 -5.8439E+00 -7.7982E+00 -5.6637E+00 H2 2721 1.008000 0.423800 -5.7072E+00 -6.6275E+00 -6.7938E+00 O6 2722 15.999400 -0.847600 1.6512E+01 5.9399E-01 -1.4635E+01 H1 2723 1.008000 0.423800 1.5982E+01 1.3112E+00 -1.5088E+01 H2 2724 1.008000 0.423800 1.6295E+01 -2.9098E-01 -1.5047E+01 O6 2725 15.999400 -0.847600 9.6725E+00 2.6733E-01 -4.9897E+00 H1 2726 1.008000 0.423800 8.7961E+00 -1.8378E-01 -4.8209E+00 H2 2727 1.008000 0.423800 9.8167E+00 3.5732E-01 -5.9752E+00 O6 2728 15.999400 -0.847600 -8.5220E+00 -5.8115E+00 3.1355E+00 H1 2729 1.008000 0.423800 -8.3903E+00 -4.8564E+00 2.8702E+00 H2 2730 1.008000 0.423800 -9.2402E+00 -6.2182E+00 2.5710E+00 O6 2731 15.999400 -0.847600 3.5212E+00 1.7130E+01 -1.7961E+01 H1 2732 1.008000 0.423800 2.8498E+00 1.7780E+01 -1.8319E+01 H2 2733 1.008000 0.423800 3.0533E+00 1.6430E+01 -1.7422E+01 O6 2734 15.999400 -0.847600 5.5003E-01 -2.1401E+00 -5.4584E+00 H1 2735 1.008000 0.423800 8.1571E-01 -1.7324E+00 -4.5848E+00 H2 2736 1.008000 0.423800 4.4161E-02 -2.9863E+00 -5.2911E+00 O6 2737 15.999400 -0.847600 1.0479E+01 -3.7408E+00 -1.0535E+01 H1 2738 1.008000 0.423800 9.8244E+00 -3.3913E+00 -1.1205E+01 H2 2739 1.008000 0.423800 1.1344E+01 -3.9501E+00 -1.0992E+01 O6 2740 15.999400 -0.847600 6.9989E+00 -1.0677E+01 1.4778E+01 H1 2741 1.008000 0.423800 7.9177E+00 -1.0835E+01 1.5140E+01 H2 2742 1.008000 0.423800 7.0592E+00 -1.0434E+01 1.3810E+01 O6 2743 15.999400 -0.847600 -2.8664E+00 1.4564E+01 -1.6184E+01 H1 2744 1.008000 0.423800 -2.1439E+00 1.5255E+01 -1.6161E+01 H2 2745 1.008000 0.423800 -3.2871E+00 1.4552E+01 -1.7091E+01 O6 2746 15.999400 -0.847600 2.9518E+00 1.2817E+01 -5.3460E+00 H1 2747 1.008000 0.423800 2.9510E+00 1.2068E+01 -4.6836E+00 H2 2748 1.008000 0.423800 3.7373E+00 1.2720E+01 -5.9573E+00 O6 2749 15.999400 -0.847600 5.3162E-01 9.2208E+00 1.6255E+00 H1 2750 1.008000 0.423800 3.0397E-01 8.8100E+00 7.4266E-01 H2 2751 1.008000 0.423800 1.0635E+00 8.5708E+00 2.1683E+00 O6 2752 15.999400 -0.847600 1.5612E+00 7.5315E+00 1.2141E+01 H1 2753 1.008000 0.423800 1.9322E+00 7.5579E+00 1.3070E+01 H2 2754 1.008000 0.423800 2.3003E+00 7.3520E+00 1.1492E+01 O6 2755 15.999400 -0.847600 1.2490E+01 -1.8995E+01 -8.5239E+00 H1 2756 1.008000 0.423800 1.2856E+01 -1.9526E+01 -7.7591E+00 H2 2757 1.008000 0.423800 1.3237E+01 -1.8726E+01 -9.1306E+00 O6 2758 15.999400 -0.847600 -1.3173E+01 -6.0167E+00 -1.2588E+01 H1 2759 1.008000 0.423800 -1.3896E+01 -6.6487E+00 -1.2868E+01 H2 2760 1.008000 0.423800 -1.3582E+01 -5.1524E+00 -1.2295E+01 O6 2761 15.999400 -0.847600 6.2183E+00 -7.5112E+00 6.4075E+00 H1 2762 1.008000 0.423800 7.0661E+00 -6.9823E+00 6.3686E+00 H2 2763 1.008000 0.423800 5.6296E+00 -7.1447E+00 7.1281E+00 O6 2764 15.999400 -0.847600 3.0828E-01 1.8515E+01 -1.3083E+01 H1 2765 1.008000 0.423800 6.3155E-01 1.8995E+01 -1.3899E+01 H2 2766 1.008000 0.423800 2.1483E-01 1.9166E+01 -1.2330E+01 O6 2767 15.999400 -0.847600 -1.2595E+01 -3.0749E+00 -7.6396E+00 H1 2768 1.008000 0.423800 -1.2191E+01 -2.4107E+00 -8.2684E+00 H2 2769 1.008000 0.423800 -1.2155E+01 -3.9641E+00 -7.7661E+00 O6 2770 15.999400 -0.847600 4.5488E+00 -1.8624E-01 1.2598E+01 H1 2771 1.008000 0.423800 3.8896E+00 -5.2349E-01 1.3270E+01 H2 2772 1.008000 0.423800 4.0604E+00 2.4976E-01 1.1842E+01 O6 2773 15.999400 -0.847600 -7.1416E+00 2.5621E+00 9.4052E+00 H1 2774 1.008000 0.423800 -7.1194E+00 3.1936E+00 8.6301E+00 H2 2775 1.008000 0.423800 -8.0542E+00 2.5682E+00 9.8139E+00 O6 2776 15.999400 -0.847600 1.8589E+01 -1.6852E+01 -9.4840E+00 H1 2777 1.008000 0.423800 1.8396E+01 -1.7833E+01 -9.4713E+00 H2 2778 1.008000 0.423800 1.8035E+01 -1.6395E+01 -8.7890E+00 O6 2779 15.999400 -0.847600 5.0757E+00 -7.0421E+00 9.6450E+00 H1 2780 1.008000 0.423800 5.0045E+00 -7.7427E+00 1.0355E+01 H2 2781 1.008000 0.423800 6.0098E+00 -6.6860E+00 9.6206E+00 O6 2782 15.999400 -0.847600 -1.7046E+01 1.8236E+01 3.8324E+00 H1 2783 1.008000 0.423800 -1.7870E+01 1.7900E+01 3.3769E+00 H2 2784 1.008000 0.423800 -1.7036E+01 1.9236E+01 3.8085E+00 O6 2785 15.999400 -0.847600 3.9121E+00 1.0890E+01 -1.6110E+01 H1 2786 1.008000 0.423800 4.1163E+00 1.0475E+01 -1.6996E+01 H2 2787 1.008000 0.423800 3.1522E+00 1.0402E+01 -1.5680E+01 O6 2788 15.999400 -0.847600 1.2302E+01 1.6545E+01 1.0120E+01 H1 2789 1.008000 0.423800 1.1789E+01 1.6529E+01 1.0978E+01 H2 2790 1.008000 0.423800 1.3260E+01 1.6322E+01 1.0300E+01 O6 2791 15.999400 -0.847600 -3.3278E+00 1.6148E+01 5.5022E+00 H1 2792 1.008000 0.423800 -4.1256E+00 1.5708E+01 5.9143E+00 H2 2793 1.008000 0.423800 -3.5610E+00 1.7086E+01 5.2435E+00 O6 2794 15.999400 -0.847600 5.2523E+00 1.2779E+01 -1.4370E+01 H1 2795 1.008000 0.423800 4.6205E+00 1.2161E+01 -1.4837E+01 H2 2796 1.008000 0.423800 5.1474E+00 1.3703E+01 -1.4738E+01 O6 2797 15.999400 -0.847600 -7.9476E+00 1.6642E+01 -1.3239E+01 H1 2798 1.008000 0.423800 -7.5991E+00 1.6412E+01 -1.4148E+01 H2 2799 1.008000 0.423800 -8.9474E+00 1.6651E+01 -1.3258E+01 O6 2800 15.999400 -0.847600 -8.0772E-01 -4.0746E+00 -1.8829E+01 H1 2801 1.008000 0.423800 -9.3137E-01 -4.7283E+00 -1.8082E+01 H2 2802 1.008000 0.423800 -1.6779E+00 -3.9424E+00 -1.9303E+01 O6 2803 15.999400 -0.847600 1.0238E+01 7.9661E-01 4.2351E+00 H1 2804 1.008000 0.423800 1.0214E+01 -2.0027E-01 4.1594E+00 H2 2805 1.008000 0.423800 1.1188E+01 1.1090E+00 4.2305E+00 O6 2806 15.999400 -0.847600 -1.0699E+00 9.6933E+00 -8.8829E+00 H1 2807 1.008000 0.423800 -1.0822E+00 1.0271E+01 -8.0666E+00 H2 2808 1.008000 0.423800 -2.0057E+00 9.4343E+00 -9.1219E+00 O6 2809 15.999400 -0.847600 -1.5655E+01 -4.8621E-02 1.0802E+01 H1 2810 1.008000 0.423800 -1.6318E+01 -4.2351E-01 1.1450E+01 H2 2811 1.008000 0.423800 -1.4747E+01 -4.1369E-01 1.1005E+01 O6 2812 15.999400 -0.847600 1.8760E+01 -8.7740E+00 -7.8871E+00 H1 2813 1.008000 0.423800 1.8513E+01 -8.9530E+00 -6.9346E+00 H2 2814 1.008000 0.423800 1.8188E+01 -9.3308E+00 -8.4895E+00 O6 2815 15.999400 -0.847600 -1.6892E+01 -1.5576E+01 -1.4294E+01 H1 2816 1.008000 0.423800 -1.7736E+01 -1.5096E+01 -1.4534E+01 H2 2817 1.008000 0.423800 -1.7037E+01 -1.6110E+01 -1.3461E+01 O6 2818 15.999400 -0.847600 1.7296E+01 8.1362E+00 6.8692E+00 H1 2819 1.008000 0.423800 1.6930E+01 7.2644E+00 7.1944E+00 H2 2820 1.008000 0.423800 1.6981E+01 8.8737E+00 7.4666E+00 O6 2821 15.999400 -0.847600 1.1407E+01 1.5041E+01 -1.2138E+00 H1 2822 1.008000 0.423800 1.1351E+01 1.5918E+01 -7.3587E-01 H2 2823 1.008000 0.423800 1.0821E+01 1.5066E+01 -2.0239E+00 O6 2824 15.999400 -0.847600 6.2010E+00 3.8316E+00 -2.1621E-01 H1 2825 1.008000 0.423800 6.2572E+00 3.9056E+00 7.7949E-01 H2 2826 1.008000 0.423800 6.5887E+00 2.9572E+00 -5.0784E-01 O6 2827 15.999400 -0.847600 -6.2419E-02 1.6577E+01 1.0992E+01 H1 2828 1.008000 0.423800 -2.8311E-01 1.6928E+01 1.1902E+01 H2 2829 1.008000 0.423800 2.5477E-05 1.7338E+01 1.0347E+01 O6 2830 15.999400 -0.847600 -1.7537E+01 9.8853E+00 -3.3552E-01 H1 2831 1.008000 0.423800 -1.7907E+01 1.0370E+01 -1.1281E+00 H2 2832 1.008000 0.423800 -1.6637E+01 1.0256E+01 -1.0795E-01 O6 2833 15.999400 -0.847600 -1.4828E+01 1.0077E+01 -3.4803E+00 H1 2834 1.008000 0.423800 -1.4526E+01 1.0787E+01 -4.1164E+00 H2 2835 1.008000 0.423800 -1.4860E+01 1.0451E+01 -2.5537E+00 O6 2836 15.999400 -0.847600 1.7506E+01 -1.4588E+01 1.5179E+01 H1 2837 1.008000 0.423800 1.7086E+01 -1.5424E+01 1.5534E+01 H2 2838 1.008000 0.423800 1.6875E+01 -1.4141E+01 1.4546E+01 O6 2839 15.999400 -0.847600 -1.4490E+01 -1.3743E+01 3.2262E+00 H1 2840 1.008000 0.423800 -1.4160E+01 -1.2800E+01 3.2678E+00 H2 2841 1.008000 0.423800 -1.4911E+01 -1.3910E+01 2.3344E+00 O6 2842 15.999400 -0.847600 6.7088E+00 3.4215E+00 2.3676E+00 H1 2843 1.008000 0.423800 6.7978E+00 3.5583E+00 3.3542E+00 H2 2844 1.008000 0.423800 7.2274E+00 2.6110E+00 2.0954E+00 O6 2845 15.999400 -0.847600 1.7517E+01 7.1784E+00 -1.1431E-01 H1 2846 1.008000 0.423800 1.7110E+01 7.6233E+00 -9.1221E-01 H2 2847 1.008000 0.423800 1.7483E+01 6.1860E+00 -2.3259E-01 O6 2848 15.999400 -0.847600 -1.3544E+01 7.8582E+00 5.8130E+00 H1 2849 1.008000 0.423800 -1.3601E+01 8.7941E+00 6.1608E+00 H2 2850 1.008000 0.423800 -1.2848E+01 7.3544E+00 6.3246E+00 O6 2851 15.999400 -0.847600 -1.4156E+01 -1.1793E+01 -1.9281E+01 H1 2852 1.008000 0.423800 -1.4061E+01 -1.1799E+01 1.8821E+01 H2 2853 1.008000 0.423800 -1.3407E+01 -1.1268E+01 -1.8877E+01 O6 2854 15.999400 -0.847600 3.1464E+00 6.0309E+00 6.1234E-01 H1 2855 1.008000 0.423800 3.5725E+00 5.1634E+00 8.6894E-01 H2 2856 1.008000 0.423800 2.1692E+00 5.9971E+00 8.2210E-01 O6 2857 15.999400 -0.847600 2.6437E+00 -1.2328E+01 5.0528E+00 H1 2858 1.008000 0.423800 3.3566E+00 -1.1930E+01 5.6305E+00 H2 2859 1.008000 0.423800 1.7451E+00 -1.2063E+01 5.4027E+00 O6 2860 15.999400 -0.847600 -7.6205E+00 -9.7850E+00 -1.9011E+01 H1 2861 1.008000 0.423800 -8.3049E+00 -9.7058E+00 -1.8286E+01 H2 2862 1.008000 0.423800 -7.6670E+00 -8.9802E+00 1.9495E+01 O6 2863 15.999400 -0.847600 1.5142E+01 -1.0820E+01 1.0981E+01 H1 2864 1.008000 0.423800 1.4584E+01 -1.0376E+01 1.1682E+01 H2 2865 1.008000 0.423800 1.5650E+01 -1.0126E+01 1.0471E+01 O6 2866 15.999400 -0.847600 4.7388E+00 -5.5912E+00 4.0747E+00 H1 2867 1.008000 0.423800 5.1678E+00 -5.8958E+00 4.9251E+00 H2 2868 1.008000 0.423800 4.8553E+00 -6.2935E+00 3.3725E+00 O6 2869 15.999400 -0.847600 -8.2115E+00 -1.3842E+01 -3.9260E+00 H1 2870 1.008000 0.423800 -8.2347E+00 -1.3709E+01 -2.9351E+00 H2 2871 1.008000 0.423800 -8.4044E+00 -1.2973E+01 -4.3831E+00 O6 2872 15.999400 -0.847600 8.7409E+00 4.6846E+00 2.6839E-01 H1 2873 1.008000 0.423800 7.8075E+00 4.5509E+00 -6.4725E-02 H2 2874 1.008000 0.423800 9.2704E+00 3.8493E+00 1.2016E-01 O6 2875 15.999400 -0.847600 1.9026E+00 -1.9238E+01 1.5105E+01 H1 2876 1.008000 0.423800 1.5463E+00 -1.9356E+01 1.4178E+01 H2 2877 1.008000 0.423800 1.2759E+00 1.9437E+01 1.5760E+01 O6 2878 15.999400 -0.847600 -5.6856E+00 -1.6904E+00 -8.4717E+00 H1 2879 1.008000 0.423800 -4.6953E+00 -1.5639E+00 -8.4140E+00 H2 2880 1.008000 0.423800 -6.1457E+00 -9.3687E-01 -8.0021E+00 O6 2881 15.999400 -0.847600 1.4128E+01 -1.2048E+01 -3.0515E+00 H1 2882 1.008000 0.423800 1.5016E+01 -1.1617E+01 -2.8911E+00 H2 2883 1.008000 0.423800 1.4261E+01 -1.2915E+01 -3.5314E+00 O6 2884 15.999400 -0.847600 -8.0394E+00 9.7519E+00 1.6859E+01 H1 2885 1.008000 0.423800 -7.5899E+00 1.0568E+01 1.7222E+01 H2 2886 1.008000 0.423800 -7.8505E+00 9.6752E+00 1.5880E+01 O6 2887 15.999400 -0.847600 -5.0084E+00 6.1783E+00 -7.5663E+00 H1 2888 1.008000 0.423800 -4.0264E+00 6.3594E+00 -7.6203E+00 H2 2889 1.008000 0.423800 -5.4226E+00 6.3159E+00 -8.4660E+00 O6 2890 15.999400 -0.847600 4.9223E+00 5.5204E+00 -1.3508E+01 H1 2891 1.008000 0.423800 5.6609E+00 6.1718E+00 -1.3682E+01 H2 2892 1.008000 0.423800 4.0414E+00 5.9877E+00 -1.3583E+01 O6 2893 15.999400 -0.847600 3.2321E+00 -1.2236E+01 1.6802E+01 H1 2894 1.008000 0.423800 4.2207E+00 -1.2128E+01 1.6908E+01 H2 2895 1.008000 0.423800 3.0291E+00 -1.3166E+01 1.6497E+01 O6 2896 15.999400 -0.847600 -1.1782E+01 -1.7232E+01 2.8018E+00 H1 2897 1.008000 0.423800 -1.2611E+01 -1.6919E+01 2.3382E+00 H2 2898 1.008000 0.423800 -1.0980E+01 -1.6844E+01 2.3485E+00 O6 2899 15.999400 -0.847600 -9.2418E+00 1.4714E+01 1.0377E+01 H1 2900 1.008000 0.423800 -9.1830E+00 1.3748E+01 1.0122E+01 H2 2901 1.008000 0.423800 -9.8645E+00 1.5186E+01 9.7530E+00 O6 2902 15.999400 -0.847600 -7.6791E+00 -1.4587E+01 -1.4072E+01 H1 2903 1.008000 0.423800 -7.3424E+00 -1.4654E+01 -1.5011E+01 H2 2904 1.008000 0.423800 -7.5651E+00 -1.3649E+01 -1.3743E+01 O6 2905 15.999400 -0.847600 4.6126E-01 1.2513E+01 8.4898E+00 H1 2906 1.008000 0.423800 3.9733E-01 1.2057E+01 9.3776E+00 H2 2907 1.008000 0.423800 -1.5883E-01 1.3298E+01 8.4725E+00 O6 2908 15.999400 -0.847600 -6.8566E+00 1.3705E+01 -1.8823E+01 H1 2909 1.008000 0.423800 -5.9665E+00 1.4057E+01 -1.8534E+01 H2 2910 1.008000 0.423800 -7.5106E+00 1.4460E+01 -1.8880E+01 O6 2911 15.999400 -0.847600 1.5828E+01 -1.1717E+01 9.6770E-01 H1 2912 1.008000 0.423800 1.5516E+01 -1.1947E+01 1.8892E+00 H2 2913 1.008000 0.423800 1.6617E+01 -1.1105E+01 1.0268E+00 O6 2914 15.999400 -0.847600 -9.8618E+00 2.9397E+00 1.0381E+01 H1 2915 1.008000 0.423800 -1.0734E+01 2.6299E+00 1.0002E+01 H2 2916 1.008000 0.423800 -1.0032E+01 3.5198E+00 1.1178E+01 O6 2917 15.999400 -0.847600 6.9509E+00 -3.0835E+00 -9.7989E+00 H1 2918 1.008000 0.423800 7.7188E+00 -3.5622E+00 -9.3733E+00 H2 2919 1.008000 0.423800 6.1161E+00 -3.2641E+00 -9.2788E+00 O6 2920 15.999400 -0.847600 -1.5510E+01 -6.3256E+00 -1.9971E+00 H1 2921 1.008000 0.423800 -1.6390E+01 -6.5311E+00 -2.4247E+00 H2 2922 1.008000 0.423800 -1.4920E+01 -7.1315E+00 -2.0450E+00 O6 2923 15.999400 -0.847600 -1.0025E+01 -1.8301E+01 2.9471E-01 H1 2924 1.008000 0.423800 -1.1002E+01 -1.8485E+01 1.8679E-01 H2 2925 1.008000 0.423800 -9.7677E+00 -1.7519E+01 -2.7293E-01 O6 2926 15.999400 -0.847600 1.3119E+01 6.6997E-01 1.3175E+01 H1 2927 1.008000 0.423800 1.3810E+01 1.3796E+00 1.3037E+01 H2 2928 1.008000 0.423800 1.2831E+01 3.0926E-01 1.2287E+01 O6 2929 15.999400 -0.847600 -4.7679E+00 9.3552E-01 9.0047E+00 H1 2930 1.008000 0.423800 -5.5619E+00 1.5335E+00 9.1136E+00 H2 2931 1.008000 0.423800 -4.0434E+00 1.2264E+00 9.6295E+00 O6 2932 15.999400 -0.847600 1.2947E+01 2.3313E+00 -8.4032E-01 H1 2933 1.008000 0.423800 1.2708E+01 3.3022E+00 -8.4395E-01 H2 2934 1.008000 0.423800 1.2619E+01 1.9040E+00 -1.6829E+00 O6 2935 15.999400 -0.847600 -7.7281E+00 9.9398E+00 -1.6031E+01 H1 2936 1.008000 0.423800 -7.7630E+00 1.0934E+01 -1.6129E+01 H2 2937 1.008000 0.423800 -6.8358E+00 9.6718E+00 -1.5667E+01 O6 2938 15.999400 -0.847600 -1.8036E+01 -1.3178E+01 -1.6556E+01 H1 2939 1.008000 0.423800 -1.8731E+01 -1.2458E+01 -1.6560E+01 H2 2940 1.008000 0.423800 -1.8466E+01 -1.4057E+01 -1.6765E+01 O6 2941 15.999400 -0.847600 7.3574E+00 -1.8296E+01 -1.6274E+01 H1 2942 1.008000 0.423800 7.0444E+00 -1.9229E+01 -1.6453E+01 H2 2943 1.008000 0.423800 7.6640E+00 -1.8223E+01 -1.5325E+01 O6 2944 15.999400 -0.847600 -1.1932E+01 -2.4771E+00 1.6334E+01 H1 2945 1.008000 0.423800 -1.1178E+01 -2.2648E+00 1.6956E+01 H2 2946 1.008000 0.423800 -1.1706E+01 -2.1534E+00 1.5415E+01 O6 2947 15.999400 -0.847600 2.2207E+00 -7.1718E+00 3.5216E+00 H1 2948 1.008000 0.423800 1.6890E+00 -6.3260E+00 3.4789E+00 H2 2949 1.008000 0.423800 1.7797E+00 -7.8113E+00 4.1513E+00 O6 2950 15.999400 -0.847600 1.7939E+01 1.2886E+01 -7.3525E+00 H1 2951 1.008000 0.423800 1.7393E+01 1.3422E+01 -7.9965E+00 H2 2952 1.008000 0.423800 1.7744E+01 1.1914E+01 -7.4798E+00 O6 2953 15.999400 -0.847600 -3.3212E+00 7.2055E-01 -1.5152E+01 H1 2954 1.008000 0.423800 -4.1380E+00 6.9449E-01 -1.5728E+01 H2 2955 1.008000 0.423800 -3.3776E+00 -2.8785E-04 -1.4461E+01 O6 2956 15.999400 -0.847600 1.1374E+01 -1.8993E+01 5.9340E+00 H1 2957 1.008000 0.423800 1.0794E+01 -1.8178E+01 5.9509E+00 H2 2958 1.008000 0.423800 1.1442E+01 -1.9372E+01 6.8568E+00 O6 2959 15.999400 -0.847600 9.7222E+00 -1.0128E+01 -7.3663E+00 H1 2960 1.008000 0.423800 1.0258E+01 -1.0523E+01 -8.1123E+00 H2 2961 1.008000 0.423800 1.0052E+01 -9.2042E+00 -7.1724E+00 O6 2962 15.999400 -0.847600 1.8170E+01 -9.5690E+00 -3.6041E+00 H1 2963 1.008000 0.423800 1.8262E+01 -9.0577E+00 -2.7497E+00 H2 2964 1.008000 0.423800 1.7726E+01 -8.9934E+00 -4.2907E+00 O6 2965 15.999400 -0.847600 1.3343E+01 -1.8541E+01 -4.9091E+00 H1 2966 1.008000 0.423800 1.3207E+01 -1.9504E+01 -5.1426E+00 H2 2967 1.008000 0.423800 1.3929E+01 -1.8474E+01 -4.1016E+00 O6 2968 15.999400 -0.847600 9.6997E+00 -1.0861E+01 -1.9418E+01 H1 2969 1.008000 0.423800 9.1419E+00 -1.0331E+01 -1.8779E+01 H2 2970 1.008000 0.423800 1.0650E+01 -1.0554E+01 -1.9364E+01 O6 2971 15.999400 -0.847600 3.8242E-01 2.6464E-01 -1.4316E+01 H1 2972 1.008000 0.423800 6.4448E-02 1.1308E+00 -1.4702E+01 H2 2973 1.008000 0.423800 9.4635E-01 4.4555E-01 -1.3510E+01 O6 2974 15.999400 -0.847600 -1.2721E+01 -1.9239E+01 4.5437E+00 H1 2975 1.008000 0.423800 -1.2243E+01 -1.8608E+01 3.9323E+00 H2 2976 1.008000 0.423800 -1.3608E+01 -1.9479E+01 4.1481E+00 O6 2977 15.999400 -0.847600 7.2697E+00 4.1287E+00 4.8302E+00 H1 2978 1.008000 0.423800 7.7477E+00 3.3956E+00 5.3140E+00 H2 2979 1.008000 0.423800 6.9422E+00 4.8051E+00 5.4899E+00 O6 2980 15.999400 -0.847600 1.0759E+01 1.4491E+01 -7.5083E+00 H1 2981 1.008000 0.423800 1.1056E+01 1.5343E+01 -7.0772E+00 H2 2982 1.008000 0.423800 1.0057E+01 1.4691E+01 -8.1925E+00 O6 2983 15.999400 -0.847600 -1.3260E+00 4.6235E+00 5.5617E+00 H1 2984 1.008000 0.423800 -1.3483E+00 4.5972E+00 6.5611E+00 H2 2985 1.008000 0.423800 -8.8491E-01 5.4689E+00 5.2603E+00 O6 2986 15.999400 -0.847600 -8.4880E+00 -9.6555E+00 1.3207E+01 H1 2987 1.008000 0.423800 -7.8947E+00 -9.6675E+00 1.4012E+01 H2 2988 1.008000 0.423800 -8.2993E+00 -8.8359E+00 1.2666E+01 O6 2989 15.999400 -0.847600 7.5672E+00 8.5094E+00 6.9770E+00 H1 2990 1.008000 0.423800 8.0909E+00 8.3055E+00 7.8042E+00 H2 2991 1.008000 0.423800 7.3734E+00 9.4897E+00 6.9384E+00 O6 2992 15.999400 -0.847600 4.7025E+00 7.0686E+00 -1.9230E+01 H1 2993 1.008000 0.423800 4.9290E+00 6.7753E+00 -1.8301E+01 H2 2994 1.008000 0.423800 5.5057E+00 6.9663E+00 1.9280E+01 O6 2995 15.999400 -0.847600 5.7255E+00 -1.6536E+01 -8.9799E+00 H1 2996 1.008000 0.423800 6.0711E+00 -1.5610E+01 -8.8252E+00 H2 2997 1.008000 0.423800 6.4936E+00 -1.7156E+01 -9.1367E+00 O6 2998 15.999400 -0.847600 1.6123E+01 3.0431E+00 6.0046E+00 H1 2999 1.008000 0.423800 1.6255E+01 3.6719E+00 5.2384E+00 H2 3000 1.008000 0.423800 1.6276E+01 2.1044E+00 5.6957E+00 O6 3001 15.999400 -0.847600 -6.0621E+00 -1.8735E+01 -1.6101E+01 H1 3002 1.008000 0.423800 -5.8362E+00 1.9468E+01 -1.5716E+01 H2 3003 1.008000 0.423800 -5.3429E+00 -1.8081E+01 -1.5868E+01 O6 3004 15.999400 -0.847600 1.4836E+01 -1.7646E+01 -1.7856E+01 H1 3005 1.008000 0.423800 1.4451E+01 -1.6728E+01 -1.7952E+01 H2 3006 1.008000 0.423800 1.4391E+01 -1.8264E+01 -1.8504E+01 O6 3007 15.999400 -0.847600 7.0841E+00 -4.8349E+00 -5.3337E+00 H1 3008 1.008000 0.423800 7.5113E+00 -5.7243E+00 -5.1712E+00 H2 3009 1.008000 0.423800 7.7399E+00 -4.2270E+00 -5.7812E+00 O6 3010 15.999400 -0.847600 -1.2598E+01 1.8294E+01 7.2952E+00 H1 3011 1.008000 0.423800 -1.2348E+01 1.8569E+01 6.3670E+00 H2 3012 1.008000 0.423800 -1.3594E+01 1.8311E+01 7.3903E+00 O6 3013 15.999400 -0.847600 5.0574E+00 -1.8849E+01 4.7332E+00 H1 3014 1.008000 0.423800 5.5873E+00 1.9447E+01 5.0084E+00 H2 3015 1.008000 0.423800 5.1908E+00 -1.8680E+01 3.7565E+00 O6 3016 15.999400 -0.847600 6.7792E+00 2.1554E+00 1.6811E+01 H1 3017 1.008000 0.423800 5.8723E+00 2.0587E+00 1.6401E+01 H2 3018 1.008000 0.423800 6.9301E+00 1.4137E+00 1.7465E+01 O6 3019 15.999400 -0.847600 -1.5631E+01 9.6943E+00 3.0277E+00 H1 3020 1.008000 0.423800 -1.6582E+01 9.4831E+00 3.2508E+00 H2 3021 1.008000 0.423800 -1.5580E+01 1.0602E+01 2.6114E+00 O6 3022 15.999400 -0.847600 7.2588E+00 -2.8928E+00 1.5238E+01 H1 3023 1.008000 0.423800 7.1712E+00 -2.6709E+00 1.4267E+01 H2 3024 1.008000 0.423800 6.8141E+00 -2.1824E+00 1.5783E+01 O6 3025 15.999400 -0.847600 -9.4116E+00 -9.1049E-01 -9.6685E+00 H1 3026 1.008000 0.423800 -8.9668E+00 -1.7845E+00 -9.4726E+00 H2 3027 1.008000 0.423800 -1.0300E+01 -1.0772E+00 -1.0096E+01 O6 3028 15.999400 -0.847600 -7.5096E+00 -5.7954E+00 -9.9620E+00 H1 3029 1.008000 0.423800 -6.6518E+00 -5.4908E+00 -1.0376E+01 H2 3030 1.008000 0.423800 -7.4228E+00 -6.7510E+00 -9.6802E+00 O6 3031 15.999400 -0.847600 1.7900E+01 -1.3259E+01 6.5265E+00 H1 3032 1.008000 0.423800 1.8719E+01 -1.3831E+01 6.5750E+00 H2 3033 1.008000 0.423800 1.7783E+01 -1.2923E+01 5.5920E+00 O6 3034 15.999400 -0.847600 9.0031E+00 5.8132E+00 1.1492E+01 H1 3035 1.008000 0.423800 8.3864E+00 6.4638E+00 1.1935E+01 H2 3036 1.008000 0.423800 9.3465E+00 5.1641E+00 1.2170E+01 O6 3037 15.999400 -0.847600 -2.0400E+00 -1.0904E+01 2.6924E+00 H1 3038 1.008000 0.423800 -2.1226E+00 -1.1877E+01 2.4786E+00 H2 3039 1.008000 0.423800 -2.8519E+00 -1.0602E+01 3.1924E+00 O6 3040 15.999400 -0.847600 -1.4292E+01 -1.3444E+01 6.4535E+00 H1 3041 1.008000 0.423800 -1.3980E+01 -1.4011E+01 5.6913E+00 H2 3042 1.008000 0.423800 -1.4978E+01 -1.2794E+01 6.1262E+00 O6 3043 15.999400 -0.847600 1.2297E+01 -1.5751E+01 -3.5496E+00 H1 3044 1.008000 0.423800 1.1553E+01 -1.6414E+01 -3.6242E+00 H2 3045 1.008000 0.423800 1.1929E+01 -1.4825E+01 -3.6383E+00 O6 3046 15.999400 -0.847600 6.8347E+00 4.1890E+00 1.3903E+01 H1 3047 1.008000 0.423800 6.9822E+00 3.2057E+00 1.3797E+01 H2 3048 1.008000 0.423800 6.2709E+00 4.5252E+00 1.3149E+01 O6 3049 15.999400 -0.847600 5.5444E+00 1.4449E+01 4.9610E+00 H1 3050 1.008000 0.423800 5.5697E+00 1.3754E+01 4.2421E+00 H2 3051 1.008000 0.423800 5.4286E+00 1.5352E+01 4.5476E+00 O6 3052 15.999400 -0.847600 -1.4784E+01 -1.7353E+01 -1.2681E+01 H1 3053 1.008000 0.423800 -1.4801E+01 -1.6367E+01 -1.2512E+01 H2 3054 1.008000 0.423800 -1.4032E+01 -1.7766E+01 -1.2168E+01 O6 3055 15.999400 -0.847600 -1.1079E+01 -5.5273E+00 1.2320E+01 H1 3056 1.008000 0.423800 -1.1848E+01 -6.0924E+00 1.2022E+01 H2 3057 1.008000 0.423800 -1.1039E+01 -5.5180E+00 1.3319E+01 O6 3058 15.999400 -0.847600 7.7958E+00 -3.2118E+00 9.3273E+00 H1 3059 1.008000 0.423800 7.0428E+00 -2.6425E+00 9.6573E+00 H2 3060 1.008000 0.423800 7.6732E+00 -3.3938E+00 8.3517E+00 O6 3061 15.999400 -0.847600 -1.6703E+01 2.3162E+00 1.8608E+01 H1 3062 1.008000 0.423800 -1.6594E+01 3.1574E+00 1.9138E+01 H2 3063 1.008000 0.423800 -1.6428E+01 2.4812E+00 1.7661E+01 O6 3064 15.999400 -0.847600 7.0988E+00 -1.5032E+01 1.5495E+01 H1 3065 1.008000 0.423800 6.7725E+00 -1.5080E+01 1.6439E+01 H2 3066 1.008000 0.423800 6.9803E+00 -1.5923E+01 1.5056E+01 O6 3067 15.999400 -0.847600 -2.7824E+00 7.8175E+00 6.2758E+00 H1 3068 1.008000 0.423800 -2.1018E+00 8.5376E+00 6.4107E+00 H2 3069 1.008000 0.423800 -2.3190E+00 6.9402E+00 6.1507E+00 O6 3070 15.999400 -0.847600 -1.3881E+01 1.4603E+01 -7.0275E+00 H1 3071 1.008000 0.423800 -1.3400E+01 1.4471E+01 -7.8937E+00 H2 3072 1.008000 0.423800 -1.4864E+01 1.4673E+01 -7.1999E+00 O6 3073 15.999400 -0.847600 -2.7642E+00 -1.9012E+01 5.9412E+00 H1 3074 1.008000 0.423800 -3.0926E+00 1.9522E+01 5.1829E+00 H2 3075 1.008000 0.423800 -1.8790E+00 -1.8614E+01 5.7012E+00 O6 3076 15.999400 -0.847600 1.2463E+00 1.1404E+01 6.1075E+00 H1 3077 1.008000 0.423800 2.2096E+00 1.1212E+01 5.9200E+00 H2 3078 1.008000 0.423800 1.1592E+00 1.1818E+01 7.0139E+00 O6 3079 15.999400 -0.847600 -1.9086E+01 -1.4813E+01 6.5331E+00 H1 3080 1.008000 0.423800 -1.8607E+01 -1.5028E+01 7.3842E+00 H2 3081 1.008000 0.423800 -1.9370E+01 -1.5662E+01 6.0871E+00 O6 3082 15.999400 -0.847600 1.5680E+01 -1.2430E+01 -1.4970E+01 H1 3083 1.008000 0.423800 1.5897E+01 -1.1890E+01 -1.4157E+01 H2 3084 1.008000 0.423800 1.5833E+01 -1.3399E+01 -1.4776E+01 O6 3085 15.999400 -0.847600 1.9334E+01 1.5976E+01 6.9318E+00 H1 3086 1.008000 0.423800 -1.8915E+01 1.6438E+01 7.1912E+00 H2 3087 1.008000 0.423800 1.9362E+01 1.5027E+01 7.2459E+00 O6 3088 15.999400 -0.847600 2.4866E+00 7.4997E+00 -1.5613E+00 H1 3089 1.008000 0.423800 2.9481E+00 6.9496E+00 -8.6531E-01 H2 3090 1.008000 0.423800 3.1614E+00 7.8490E+00 -2.2115E+00 O6 3091 15.999400 -0.847600 8.1100E+00 4.6052E+00 9.2766E+00 H1 3092 1.008000 0.423800 7.5156E+00 3.9087E+00 9.6785E+00 H2 3093 1.008000 0.423800 8.5382E+00 5.1390E+00 1.0006E+01 O6 3094 15.999400 -0.847600 -1.2674E+01 -5.0738E+00 8.8984E+00 H1 3095 1.008000 0.423800 -1.2483E+01 -6.0490E+00 8.7875E+00 H2 3096 1.008000 0.423800 -1.3150E+01 -4.9239E+00 9.7652E+00 O6 3097 15.999400 -0.847600 1.7147E+01 -7.8863E+00 -5.2340E+00 H1 3098 1.008000 0.423800 1.7346E+01 -6.9073E+00 -5.1892E+00 H2 3099 1.008000 0.423800 1.6478E+01 -8.0575E+00 -5.9573E+00 O6 3100 15.999400 -0.847600 1.6581E+01 1.9922E+00 -1.7181E+01 H1 3101 1.008000 0.423800 1.7525E+01 1.7790E+00 -1.7432E+01 H2 3102 1.008000 0.423800 1.6497E+01 2.9718E+00 -1.6998E+01 O6 3103 15.999400 -0.847600 -1.3871E+01 2.8286E+00 7.7935E+00 H1 3104 1.008000 0.423800 -1.4109E+01 3.6595E+00 7.2904E+00 H2 3105 1.008000 0.423800 -1.4652E+01 2.2042E+00 7.7939E+00 O6 3106 15.999400 -0.847600 4.0905E+00 1.4526E+01 -3.3955E+00 H1 3107 1.008000 0.423800 3.9005E+00 1.4481E+01 -2.4147E+00 H2 3108 1.008000 0.423800 3.4732E+00 1.3908E+01 -3.8828E+00 O6 3109 15.999400 -0.847600 1.4739E+01 -1.5698E+01 -1.7881E+00 H1 3110 1.008000 0.423800 1.3988E+01 -1.5641E+01 -2.4463E+00 H2 3111 1.008000 0.423800 1.4613E+01 -1.5003E+01 -1.0798E+00 O6 3112 15.999400 -0.847600 -4.1624E+00 -3.6904E+00 -1.4835E+01 H1 3113 1.008000 0.423800 -3.6022E+00 -4.2827E+00 -1.5415E+01 H2 3114 1.008000 0.423800 -4.9351E+00 -3.3407E+00 -1.5365E+01 O6 3115 15.999400 -0.847600 -1.2743E+01 1.4559E+01 1.8532E+01 H1 3116 1.008000 0.423800 -1.3448E+01 1.5122E+01 1.8963E+01 H2 3117 1.008000 0.423800 -1.2941E+01 1.4465E+01 1.7556E+01 O6 3118 15.999400 -0.847600 1.0657E+01 -6.6647E+00 -2.1956E-01 H1 3119 1.008000 0.423800 9.7377E+00 -6.6521E+00 1.7462E-01 H2 3120 1.008000 0.423800 1.0871E+01 -7.5888E+00 -5.3617E-01 O6 3121 15.999400 -0.847600 -1.2257E+01 1.6660E+01 -6.4869E+00 H1 3122 1.008000 0.423800 -1.1968E+01 1.6612E+01 -7.4428E+00 H2 3123 1.008000 0.423800 -1.2929E+01 1.5942E+01 -6.3055E+00 O6 3124 15.999400 -0.847600 1.6702E+01 1.2440E+01 -1.9113E+01 H1 3125 1.008000 0.423800 1.7171E+01 1.2580E+01 1.9113E+01 H2 3126 1.008000 0.423800 1.5766E+01 1.2130E+01 -1.9283E+01 O6 3127 15.999400 -0.847600 -6.8637E+00 -1.0863E+01 3.3679E+00 H1 3128 1.008000 0.423800 -7.2824E+00 -9.9804E+00 3.5822E+00 H2 3129 1.008000 0.423800 -7.5489E+00 -1.1467E+01 2.9604E+00 O6 3130 15.999400 -0.847600 1.9072E+01 1.8735E+01 1.0425E+01 H1 3131 1.008000 0.423800 1.9228E+01 -1.9415E+01 1.0145E+01 H2 3132 1.008000 0.423800 -1.9149E+01 1.8259E+01 1.0494E+01 O6 3133 15.999400 -0.847600 9.2926E+00 2.1167E+00 -1.9545E+01 H1 3134 1.008000 0.423800 8.3948E+00 2.4487E+00 -1.9255E+01 H2 3135 1.008000 0.423800 1.0006E+01 2.6893E+00 -1.9140E+01 O6 3136 15.999400 -0.847600 -1.2147E+01 -1.4230E+01 1.6310E+01 H1 3137 1.008000 0.423800 -1.1210E+01 -1.4166E+01 1.5967E+01 H2 3138 1.008000 0.423800 -1.2757E+01 -1.4502E+01 1.5566E+01 O6 3139 15.999400 -0.847600 1.3965E+00 -3.6394E+00 -2.5909E+00 H1 3140 1.008000 0.423800 2.0983E+00 -3.9691E+00 -3.2224E+00 H2 3141 1.008000 0.423800 1.3979E+00 -2.6395E+00 -2.5837E+00 O6 3142 15.999400 -0.847600 1.7945E+01 -4.1758E+00 1.1566E+01 H1 3143 1.008000 0.423800 1.7936E+01 -4.2641E+00 1.2562E+01 H2 3144 1.008000 0.423800 1.7086E+01 -3.7662E+00 1.1260E+01 O6 3145 15.999400 -0.847600 -1.6261E+01 3.3586E+00 4.8510E+00 H1 3146 1.008000 0.423800 -1.7202E+01 3.4297E+00 4.5189E+00 H2 3147 1.008000 0.423800 -1.5921E+01 2.4316E+00 4.6928E+00 O6 3148 15.999400 -0.847600 -1.6116E+01 -9.8243E+00 -1.5889E+01 H1 3149 1.008000 0.423800 -1.5909E+01 -1.0749E+01 -1.5571E+01 H2 3150 1.008000 0.423800 -1.5975E+01 -9.7725E+00 -1.6878E+01 O6 3151 15.999400 -0.847600 8.1900E+00 -1.6254E+01 4.3218E+00 H1 3152 1.008000 0.423800 7.2770E+00 -1.6075E+01 4.6885E+00 H2 3153 1.008000 0.423800 8.3746E+00 -1.5626E+01 3.5658E+00 O6 3154 15.999400 -0.847600 -1.0751E+01 -1.3882E+01 1.6427E+00 H1 3155 1.008000 0.423800 -1.1606E+01 -1.3635E+01 1.1873E+00 H2 3156 1.008000 0.423800 -1.0368E+01 -1.4699E+01 1.2114E+00 O6 3157 15.999400 -0.847600 1.1117E+00 -5.7938E+00 1.4271E+01 H1 3158 1.008000 0.423800 1.7564E+00 -5.1703E+00 1.3829E+01 H2 3159 1.008000 0.423800 2.2625E-01 -5.3405E+00 1.4373E+01 O6 3160 15.999400 -0.847600 -8.4648E-01 9.8096E+00 6.5911E+00 H1 3161 1.008000 0.423800 -1.4032E-01 1.0263E+01 6.0470E+00 H2 3162 1.008000 0.423800 -4.3192E-01 9.0781E+00 7.1324E+00 O6 3163 15.999400 -0.847600 1.3817E+01 -1.2046E+01 5.8682E+00 H1 3164 1.008000 0.423800 1.2832E+01 -1.1977E+01 5.7098E+00 H2 3165 1.008000 0.423800 1.3994E+01 -1.2103E+01 6.8509E+00 O6 3166 15.999400 -0.847600 -2.9613E+00 -1.8115E+01 -7.8807E+00 H1 3167 1.008000 0.423800 -2.7596E+00 -1.8894E+01 -8.4741E+00 H2 3168 1.008000 0.423800 -2.5739E+00 -1.7283E+01 -8.2791E+00 O6 3169 15.999400 -0.847600 -6.7761E+00 1.9072E+00 -2.3099E+00 H1 3170 1.008000 0.423800 -7.6035E+00 2.1269E+00 -2.8268E+00 H2 3171 1.008000 0.423800 -5.9844E+00 2.3261E+00 -2.7544E+00 O6 3172 15.999400 -0.847600 7.6759E+00 -3.5062E+00 2.0293E+00 H1 3173 1.008000 0.423800 6.9611E+00 -3.1650E+00 2.6397E+00 H2 3174 1.008000 0.423800 7.5773E+00 -3.0805E+00 1.1298E+00 O6 3175 15.999400 -0.847600 1.1304E+00 1.3516E+00 -9.5862E+00 H1 3176 1.008000 0.423800 1.2857E+00 2.0103E+00 -8.8500E+00 H2 3177 1.008000 0.423800 1.1866E+00 4.2290E-01 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1.008000 0.423800 -1.7139E+01 -1.8214E+01 1.2282E+01 H2 3195 1.008000 0.423800 -1.6602E+01 1.9354E+01 1.2083E+01 O6 3196 15.999400 -0.847600 1.7195E+01 -2.5924E+00 1.3725E+01 H1 3197 1.008000 0.423800 1.7022E+01 -1.6915E+00 1.4123E+01 H2 3198 1.008000 0.423800 1.6931E+01 -2.5863E+00 1.2760E+01 O6 3199 15.999400 -0.847600 1.1668E+01 -6.6366E+00 1.0032E+01 H1 3200 1.008000 0.423800 1.1786E+01 -6.2489E+00 9.1183E+00 H2 3201 1.008000 0.423800 1.2475E+01 -6.4343E+00 1.0587E+01 O6 3202 15.999400 -0.847600 1.7289E+01 -5.9860E+00 1.6132E+01 H1 3203 1.008000 0.423800 1.7521E+01 -6.9501E+00 1.6262E+01 H2 3204 1.008000 0.423800 1.6323E+01 -5.9051E+00 1.5888E+01 O6 3205 15.999400 -0.847600 -1.0171E+01 -3.2328E+00 1.1309E+01 H1 3206 1.008000 0.423800 -1.0511E+01 -4.0702E+00 1.1736E+01 H2 3207 1.008000 0.423800 -1.0662E+01 -3.0720E+00 1.0453E+01 O6 3208 15.999400 -0.847600 3.7012E+00 3.7431E+00 1.7175E+01 H1 3209 1.008000 0.423800 2.9003E+00 4.1792E+00 1.6764E+01 H2 3210 1.008000 0.423800 3.8546E+00 2.8542E+00 1.6743E+01 O6 3211 15.999400 -0.847600 -1.4938E+01 1.8067E+01 -7.7244E+00 H1 3212 1.008000 0.423800 -1.4365E+01 1.8776E+01 -7.3135E+00 H2 3213 1.008000 0.423800 -1.4615E+01 1.7167E+01 -7.4325E+00 O6 3214 15.999400 -0.847600 -1.7651E+01 -7.3526E+00 -3.2828E+00 H1 3215 1.008000 0.423800 -1.7316E+01 -8.1069E+00 -3.8473E+00 H2 3216 1.008000 0.423800 -1.8645E+01 -7.2851E+00 -3.3727E+00 O6 3217 15.999400 -0.847600 -1.1431E+01 -2.7061E+00 8.9505E+00 H1 3218 1.008000 0.423800 -1.1718E+01 -3.6631E+00 8.9089E+00 H2 3219 1.008000 0.423800 -1.0808E+01 -2.5119E+00 8.1928E+00 O6 3220 15.999400 -0.847600 4.3813E-01 2.6187E+00 4.5391E+00 H1 3221 1.008000 0.423800 -4.2350E-02 1.7697E+00 4.7592E+00 H2 3222 1.008000 0.423800 -1.1156E-01 3.3994E+00 4.8364E+00 O6 3223 15.999400 -0.847600 -9.6807E+00 -5.7456E+00 -1.7656E+01 H1 3224 1.008000 0.423800 -9.2985E+00 -5.3237E+00 -1.6834E+01 H2 3225 1.008000 0.423800 -8.9419E+00 -6.1401E+00 -1.8203E+01 O6 3226 15.999400 -0.847600 -1.2056E+00 1.0100E+01 3.2913E+00 H1 3227 1.008000 0.423800 -1.4236E+00 9.2359E+00 3.7448E+00 H2 3228 1.008000 0.423800 -4.9617E-01 9.9460E+00 2.6036E+00 O6 3229 15.999400 -0.847600 8.1822E+00 -6.9712E+00 -9.5562E+00 H1 3230 1.008000 0.423800 7.9950E+00 -7.6307E+00 -8.8281E+00 H2 3231 1.008000 0.423800 8.0625E+00 -7.4133E+00 -1.0445E+01 O6 3232 15.999400 -0.847600 1.9282E+01 -8.2752E-01 8.8564E+00 H1 3233 1.008000 0.423800 1.9241E+01 1.9147E-02 8.3258E+00 H2 3234 1.008000 0.423800 1.9122E+01 -6.2341E-01 9.8222E+00 O6 3235 15.999400 -0.847600 1.0927E+01 1.2666E+01 -5.4507E+00 H1 3236 1.008000 0.423800 1.1330E+01 1.3353E+01 -6.0565E+00 H2 3237 1.008000 0.423800 1.0067E+01 1.2340E+01 -5.8424E+00 O6 3238 15.999400 -0.847600 -1.8245E+01 -1.7640E+01 -7.2279E+00 H1 3239 1.008000 0.423800 -1.9049E+01 -1.7381E+01 -7.7631E+00 H2 3240 1.008000 0.423800 -1.8341E+01 -1.8586E+01 -6.9179E+00 O6 3241 15.999400 -0.847600 6.7023E+00 1.3745E+01 -9.7596E+00 H1 3242 1.008000 0.423800 6.4680E+00 1.2891E+01 -1.0224E+01 H2 3243 1.008000 0.423800 6.0290E+00 1.4447E+01 -9.9929E+00 O6 3244 15.999400 -0.847600 -1.2293E+01 1.9027E+01 -1.3891E+01 H1 3245 1.008000 0.423800 -1.1457E+01 1.9455E+01 -1.3547E+01 H2 3246 1.008000 0.423800 -1.2863E+01 -1.9379E+01 -1.4335E+01 O6 3247 15.999400 -0.847600 6.2736E+00 1.5472E+01 7.5718E+00 H1 3248 1.008000 0.423800 6.1926E+00 1.6464E+01 7.4762E+00 H2 3249 1.008000 0.423800 5.7800E+00 1.5024E+01 6.8264E+00 O6 3250 15.999400 -0.847600 -3.2793E-01 7.1886E+00 4.7762E+00 H1 3251 1.008000 0.423800 5.2505E-01 7.2111E+00 4.2547E+00 H2 3252 1.008000 0.423800 -1.5898E-01 7.5164E+00 5.7058E+00 O6 3253 15.999400 -0.847600 1.3907E+01 -9.3397E+00 -9.6129E-01 H1 3254 1.008000 0.423800 1.4527E+01 -1.0123E+01 -1.0107E+00 H2 3255 1.008000 0.423800 1.4318E+01 -8.6252E+00 -3.9465E-01 O6 3256 15.999400 -0.847600 1.2179E+01 4.1523E+00 4.9094E+00 H1 3257 1.008000 0.423800 1.2177E+01 4.3941E+00 5.8798E+00 H2 3258 1.008000 0.423800 1.1915E+01 4.9496E+00 4.3667E+00 O6 3259 15.999400 -0.847600 -1.1010E+01 4.0468E+00 1.2952E+01 H1 3260 1.008000 0.423800 -1.0785E+01 4.8145E+00 1.3552E+01 H2 3261 1.008000 0.423800 -1.2002E+01 3.9187E+00 1.2932E+01 O6 3262 15.999400 -0.847600 -2.6467E+00 -1.4580E+01 8.7801E+00 H1 3263 1.008000 0.423800 -2.2204E+00 -1.5221E+01 9.4185E+00 H2 3264 1.008000 0.423800 -3.5527E+00 -1.4917E+01 8.5245E+00 O6 3265 15.999400 -0.847600 -1.0479E+01 7.7855E-01 2.3858E-01 H1 3266 1.008000 0.423800 -1.0926E+01 1.9867E-01 -4.4303E-01 H2 3267 1.008000 0.423800 -1.1132E+01 1.0048E+00 9.6205E-01 O6 3268 15.999400 -0.847600 1.1394E+01 -1.2978E+01 9.4829E+00 H1 3269 1.008000 0.423800 1.1076E+01 -1.2418E+01 1.0248E+01 H2 3270 1.008000 0.423800 1.1571E+01 -1.3909E+01 9.8025E+00 O6 3271 15.999400 -0.847600 -2.0536E+00 -1.2685E+00 1.8461E+01 H1 3272 1.008000 0.423800 -2.3591E+00 -1.5510E+00 1.7551E+01 H2 3273 1.008000 0.423800 -1.7209E+00 -2.0665E+00 1.8963E+01 O6 3274 15.999400 -0.847600 -1.2007E+00 -4.6574E+00 1.5304E+01 H1 3275 1.008000 0.423800 -6.0026E-01 -3.9123E+00 1.5595E+01 H2 3276 1.008000 0.423800 -1.3599E+00 -5.2763E+00 1.6074E+01 O6 3277 15.999400 -0.847600 9.3039E+00 -1.3540E+01 1.6178E+01 H1 3278 1.008000 0.423800 8.4458E+00 -1.3949E+01 1.5866E+01 H2 3279 1.008000 0.423800 1.0072E+01 -1.4092E+01 1.5853E+01 O6 3280 15.999400 -0.847600 -1.3462E+01 4.0578E+00 -1.1430E+01 H1 3281 1.008000 0.423800 -1.2702E+01 3.8466E+00 -1.2045E+01 H2 3282 1.008000 0.423800 -1.4199E+01 4.4934E+00 -1.1948E+01 O6 3283 15.999400 -0.847600 -1.3094E+01 -3.0372E+00 5.9470E+00 H1 3284 1.008000 0.423800 -1.3933E+01 -3.5615E+00 6.0928E+00 H2 3285 1.008000 0.423800 -1.2919E+01 -2.4598E+00 6.7445E+00 O6 3286 15.999400 -0.847600 8.4681E+00 5.9139E+00 -1.8572E+01 H1 3287 1.008000 0.423800 8.7115E+00 6.2640E+00 -1.9476E+01 H2 3288 1.008000 0.423800 7.7815E+00 5.1931E+00 -1.8667E+01 O6 3289 15.999400 -0.847600 2.4148E+00 -1.6114E+01 2.0962E+00 H1 3290 1.008000 0.423800 3.3033E+00 -1.5819E+01 1.7441E+00 H2 3291 1.008000 0.423800 2.1005E+00 -1.5466E+01 2.7906E+00 O6 3292 15.999400 -0.847600 1.0095E+01 1.3413E+01 9.5740E+00 H1 3293 1.008000 0.423800 1.1073E+01 1.3565E+01 9.7200E+00 H2 3294 1.008000 0.423800 9.7950E+00 1.3924E+01 8.7684E+00 O6 3295 15.999400 -0.847600 1.7398E+01 1.3589E+01 -1.6423E+01 H1 3296 1.008000 0.423800 1.6635E+01 1.2958E+01 -1.6565E+01 H2 3297 1.008000 0.423800 1.7708E+01 1.3940E+01 -1.7307E+01 O6 3298 15.999400 -0.847600 -1.9235E+01 -4.5924E+00 -2.0836E+00 H1 3299 1.008000 0.423800 -1.8824E+01 -3.8817E+00 -2.6542E+00 H2 3300 1.008000 0.423800 -1.8596E+01 -4.8505E+00 -1.3596E+00 O6 3301 15.999400 -0.847600 -1.1912E+01 -1.0887E+01 8.2491E+00 H1 3302 1.008000 0.423800 -1.1880E+01 -1.0208E+01 7.5155E+00 H2 3303 1.008000 0.423800 -1.2574E+01 -1.0600E+01 8.9406E+00 O6 3304 15.999400 -0.847600 -9.8073E+00 -1.3490E+01 -1.5471E+00 H1 3305 1.008000 0.423800 -1.0439E+01 -1.2820E+01 -1.9379E+00 H2 3306 1.008000 0.423800 -9.1265E+00 -1.3018E+01 -9.8672E-01 O6 3307 15.999400 -0.847600 -4.1695E-01 -4.0318E-02 4.3952E+00 H1 3308 1.008000 0.423800 5.3112E-01 -3.5139E-01 4.3287E+00 H2 3309 1.008000 0.423800 -9.5462E-01 -4.5010E-01 3.6584E+00 O6 3310 15.999400 -0.847600 -1.2748E+01 8.5771E+00 -2.0733E+00 H1 3311 1.008000 0.423800 -1.3110E+01 9.4064E+00 -2.4992E+00 H2 3312 1.008000 0.423800 -1.2145E+01 8.1076E+00 -2.7176E+00 O6 3313 15.999400 -0.847600 1.7482E+01 1.2391E+01 1.3069E+01 H1 3314 1.008000 0.423800 1.8152E+01 1.1660E+01 1.3199E+01 H2 3315 1.008000 0.423800 1.7542E+01 1.2734E+01 1.2132E+01 O6 3316 15.999400 -0.847600 -3.3530E+00 1.1513E+00 1.8095E+01 H1 3317 1.008000 0.423800 -3.3427E+00 1.5609E-01 1.7997E+01 H2 3318 1.008000 0.423800 -3.3161E+00 1.3912E+00 1.9065E+01 O6 3319 15.999400 -0.847600 -5.4258E+00 -1.2651E+01 1.6927E+01 H1 3320 1.008000 0.423800 -4.5795E+00 -1.3090E+01 1.7229E+01 H2 3321 1.008000 0.423800 -6.1623E+00 -1.2872E+01 1.7566E+01 O6 3322 15.999400 -0.847600 1.2777E+01 -3.7913E-01 -1.0888E+01 H1 3323 1.008000 0.423800 1.3131E+01 -1.1001E+00 -1.1483E+01 H2 3324 1.008000 0.423800 1.2197E+01 -7.8542E-01 -1.0181E+01 O6 3325 15.999400 -0.847600 1.3880E+01 -2.9244E+00 -6.7650E-01 H1 3326 1.008000 0.423800 1.3591E+01 -2.9256E+00 -1.6339E+00 H2 3327 1.008000 0.423800 1.4143E+01 -1.9973E+00 -4.0874E-01 O6 3328 15.999400 -0.847600 -1.8046E+01 9.9840E+00 1.6674E+01 H1 3329 1.008000 0.423800 -1.8612E+01 1.0754E+01 1.6969E+01 H2 3330 1.008000 0.423800 -1.8375E+01 9.1441E+00 1.7106E+01 O6 3331 15.999400 -0.847600 -7.2918E+00 -4.7462E-01 1.3479E+01 H1 3332 1.008000 0.423800 -7.4871E+00 3.4199E-01 1.4022E+01 H2 3333 1.008000 0.423800 -8.0105E+00 -5.9966E-01 1.2795E+01 O6 3334 15.999400 -0.847600 -6.4641E+00 5.7363E+00 -1.2109E+01 H1 3335 1.008000 0.423800 -7.0298E+00 6.3876E+00 -1.2615E+01 H2 3336 1.008000 0.423800 -6.9984E+00 4.9145E+00 -1.1911E+01 O6 3337 15.999400 -0.847600 -8.9255E-02 -7.9780E+00 1.9212E+01 H1 3338 1.008000 0.423800 1.7796E-01 -8.0830E+00 -1.8927E+01 H2 3339 1.008000 0.423800 5.1037E-01 -7.3109E+00 1.8770E+01 O6 3340 15.999400 -0.847600 2.5799E-01 3.2721E+00 -7.5131E+00 H1 3341 1.008000 0.423800 3.2590E-01 2.4562E+00 -6.9389E+00 H2 3342 1.008000 0.423800 -6.5206E-01 3.3147E+00 -7.9253E+00 O6 3343 15.999400 -0.847600 7.7671E+00 -1.6023E+01 -2.2504E+00 H1 3344 1.008000 0.423800 7.4069E+00 -1.6954E+01 -2.3086E+00 H2 3345 1.008000 0.423800 7.9044E+00 -1.5660E+01 -3.1722E+00 O6 3346 15.999400 -0.847600 8.6561E+00 1.5626E+01 -9.1311E+00 H1 3347 1.008000 0.423800 8.2649E+00 1.4805E+01 -9.5480E+00 H2 3348 1.008000 0.423800 7.9207E+00 1.6256E+01 -8.8813E+00 O6 3349 15.999400 -0.847600 -1.8374E+01 -1.6923E+01 -1.1040E+01 H1 3350 1.008000 0.423800 -1.7570E+01 -1.6330E+01 -1.0986E+01 H2 3351 1.008000 0.423800 -1.9058E+01 -1.6617E+01 -1.0378E+01 O6 3352 15.999400 -0.847600 1.7484E+01 -1.8776E+01 1.2463E+01 H1 3353 1.008000 0.423800 1.7527E+01 -1.8077E+01 1.1749E+01 H2 3354 1.008000 0.423800 1.8087E+01 -1.9536E+01 1.2221E+01 O6 3355 15.999400 -0.847600 2.8476E+00 -9.2669E+00 -3.9583E+00 H1 3356 1.008000 0.423800 2.1568E+00 -8.5470E+00 -4.0263E+00 H2 3357 1.008000 0.423800 3.7493E+00 -8.8835E+00 -4.1582E+00 O6 3358 15.999400 -0.847600 3.1435E+00 7.8949E+00 -1.6177E+01 H1 3359 1.008000 0.423800 2.4921E+00 7.9916E+00 -1.6930E+01 H2 3360 1.008000 0.423800 4.0673E+00 7.7955E+00 -1.6547E+01 O6 3361 15.999400 -0.847600 1.9454E+01 9.3577E-02 1.7898E+01 H1 3362 1.008000 0.423800 -1.9033E+01 4.8143E-01 1.8589E+01 H2 3363 1.008000 0.423800 1.8544E+01 4.9629E-01 1.7994E+01 O6 3364 15.999400 -0.847600 9.8350E+00 1.7298E+01 -1.4622E+01 H1 3365 1.008000 0.423800 9.7917E+00 1.7093E+01 -1.5600E+01 H2 3366 1.008000 0.423800 8.9513E+00 1.7652E+01 -1.4317E+01 O6 3367 15.999400 -0.847600 8.8843E+00 -1.0833E+01 1.0280E+01 H1 3368 1.008000 0.423800 9.6158E+00 -1.1381E+01 1.0685E+01 H2 3369 1.008000 0.423800 9.2806E+00 -1.0044E+01 9.8096E+00 O6 3370 15.999400 -0.847600 1.5340E+01 -7.8267E+00 1.1006E+00 H1 3371 1.008000 0.423800 1.6269E+01 -7.9166E+00 1.4616E+00 H2 3372 1.008000 0.423800 1.5176E+01 -6.8764E+00 8.3623E-01 O6 3373 15.999400 -0.847600 7.0300E+00 1.1253E+01 6.9910E+00 H1 3374 1.008000 0.423800 6.2856E+00 1.1782E+01 7.3978E+00 H2 3375 1.008000 0.423800 7.1596E+00 1.1536E+01 6.0407E+00 O6 3376 15.999400 -0.847600 -1.2490E+01 5.2516E+00 1.6388E+01 H1 3377 1.008000 0.423800 -1.2691E+01 4.6871E+00 1.7188E+01 H2 3378 1.008000 0.423800 -1.2450E+01 6.2132E+00 1.6659E+01 O6 3379 15.999400 -0.847600 5.5218E+00 5.3815E+00 1.1623E+01 H1 3380 1.008000 0.423800 4.8261E+00 5.9311E+00 1.1161E+01 H2 3381 1.008000 0.423800 5.7860E+00 4.6158E+00 1.1037E+01 O6 3382 15.999400 -0.847600 -2.5199E+00 3.7580E+00 -1.3197E+00 H1 3383 1.008000 0.423800 -3.1686E+00 3.9580E+00 -2.0539E+00 H2 3384 1.008000 0.423800 -2.9781E+00 3.2299E+00 -6.0471E-01 O6 3385 15.999400 -0.847600 -1.7619E+01 5.6208E+00 6.5910E+00 H1 3386 1.008000 0.423800 -1.8166E+01 4.8459E+00 6.2744E+00 H2 3387 1.008000 0.423800 -1.6841E+01 5.2847E+00 7.1222E+00 O6 3388 15.999400 -0.847600 1.6984E+01 -7.7461E-03 -1.2037E+01 H1 3389 1.008000 0.423800 1.7080E+01 4.4357E-01 -1.2924E+01 H2 3390 1.008000 0.423800 1.7486E+01 5.0902E-01 -1.1343E+01 O6 3391 15.999400 -0.847600 -1.0501E+01 1.0653E+01 7.7328E-01 H1 3392 1.008000 0.423800 -1.0363E+01 1.1616E+01 1.0034E+00 H2 3393 1.008000 0.423800 -1.0100E+01 1.0464E+01 -1.2301E-01 O6 3394 15.999400 -0.847600 -1.6451E+01 1.4713E+01 5.8355E+00 H1 3395 1.008000 0.423800 -1.5471E+01 1.4787E+01 5.6502E+00 H2 3396 1.008000 0.423800 -1.6801E+01 1.3863E+01 5.4420E+00 O6 3397 15.999400 -0.847600 -7.8750E+00 3.7399E+00 1.6059E+01 H1 3398 1.008000 0.423800 -7.5737E+00 2.8079E+00 1.6260E+01 H2 3399 1.008000 0.423800 -7.2609E+00 4.3921E+00 1.6503E+01 O6 3400 15.999400 -0.847600 -1.8783E+01 5.2279E+00 -8.1545E+00 H1 3401 1.008000 0.423800 -1.8021E+01 5.8018E+00 -8.4551E+00 H2 3402 1.008000 0.423800 -1.8934E+01 4.4985E+00 -8.8217E+00 O6 3403 15.999400 -0.847600 7.8223E+00 -1.3355E+01 -1.2174E+01 H1 3404 1.008000 0.423800 8.0239E+00 -1.4149E+01 -1.1600E+01 H2 3405 1.008000 0.423800 8.1757E+00 -1.3512E+01 -1.3096E+01 O6 3406 15.999400 -0.847600 1.5505E+01 8.9936E+00 -1.2668E+01 H1 3407 1.008000 0.423800 1.4554E+01 9.1736E+00 -1.2919E+01 H2 3408 1.008000 0.423800 1.6096E+01 9.1657E+00 -1.3456E+01 O6 3409 15.999400 -0.847600 -1.8953E+01 -1.3108E+01 1.9487E-01 H1 3410 1.008000 0.423800 -1.8699E+01 -1.3136E+01 1.1618E+00 H2 3411 1.008000 0.423800 -1.8276E+01 -1.3612E+01 -3.4185E-01 O6 3412 15.999400 -0.847600 1.0890E+00 -7.8600E+00 1.2219E+01 H1 3413 1.008000 0.423800 1.2878E+00 -6.9008E+00 1.2421E+01 H2 3414 1.008000 0.423800 1.2322E-01 -7.9567E+00 1.1979E+01 O6 3415 15.999400 -0.847600 -1.4768E+01 1.5765E+01 -1.8784E+01 H1 3416 1.008000 0.423800 -1.5490E+01 1.6153E+01 -1.9356E+01 H2 3417 1.008000 0.423800 -1.4554E+01 1.6401E+01 -1.8042E+01 O6 3418 15.999400 -0.847600 -1.6867E+01 1.2196E+01 8.8205E+00 H1 3419 1.008000 0.423800 -1.5921E+01 1.1942E+01 8.6180E+00 H2 3420 1.008000 0.423800 -1.6877E+01 1.2970E+01 9.4532E+00 O6 3421 15.999400 -0.847600 1.1878E+01 8.3852E+00 1.5447E+01 H1 3422 1.008000 0.423800 1.2210E+01 9.1877E+00 1.5942E+01 H2 3423 1.008000 0.423800 1.1089E+01 8.0010E+00 1.5926E+01 O6 3424 15.999400 -0.847600 1.8252E+01 1.0297E+01 1.0941E+01 H1 3425 1.008000 0.423800 1.7583E+01 9.6836E+00 1.1360E+01 H2 3426 1.008000 0.423800 1.9173E+01 9.9341E+00 1.1085E+01 O6 3427 15.999400 -0.847600 1.3885E+01 -1.2990E+01 -6.0087E-01 H1 3428 1.008000 0.423800 1.4706E+01 -1.2598E+01 -1.8635E-01 H2 3429 1.008000 0.423800 1.3765E+01 -1.2618E+01 -1.5210E+00 O6 3430 15.999400 -0.847600 -3.1416E+00 -1.9410E+01 -5.3485E+00 H1 3431 1.008000 0.423800 -2.6596E+00 -1.8777E+01 -5.9543E+00 H2 3432 1.008000 0.423800 -2.6131E+00 -1.9535E+01 -4.5089E+00 O6 3433 15.999400 -0.847600 -1.1865E+01 -1.9086E+01 -9.0597E+00 H1 3434 1.008000 0.423800 -1.2404E+01 -1.8382E+01 -9.5207E+00 H2 3435 1.008000 0.423800 -1.2331E+01 -1.9367E+01 -8.2208E+00 O6 3436 15.999400 -0.847600 1.8381E+01 -1.1944E+01 1.1924E+01 H1 3437 1.008000 0.423800 1.8118E+01 -1.2861E+01 1.1625E+01 H2 3438 1.008000 0.423800 1.7559E+01 -1.1408E+01 1.2117E+01 O6 3439 15.999400 -0.847600 -1.3805E+00 9.6936E+00 1.5973E+01 H1 3440 1.008000 0.423800 -1.9066E+00 1.0092E+01 1.5222E+01 H2 3441 1.008000 0.423800 -8.4298E-01 1.0409E+01 1.6420E+01 O6 3442 15.999400 -0.847600 -1.8709E+01 2.1106E+00 1.6166E+01 H1 3443 1.008000 0.423800 -1.7727E+01 2.1630E+00 1.5985E+01 H2 3444 1.008000 0.423800 -1.8949E+01 1.1794E+00 1.6441E+01 O6 3445 15.999400 -0.847600 -6.4885E+00 2.1674E+00 2.8815E+00 H1 3446 1.008000 0.423800 -5.5916E+00 1.8626E+00 3.2022E+00 H2 3447 1.008000 0.423800 -6.3975E+00 3.0563E+00 2.4326E+00 O6 3448 15.999400 -0.847600 -7.9887E+00 -8.3510E+00 4.1120E+00 H1 3449 1.008000 0.423800 -8.6364E+00 -8.6202E+00 4.8247E+00 H2 3450 1.008000 0.423800 -8.1218E+00 -7.3855E+00 3.8882E+00 O6 3451 15.999400 -0.847600 -8.0626E+00 -1.2480E+01 -1.0250E+01 H1 3452 1.008000 0.423800 -7.2692E+00 -1.3083E+01 -1.0168E+01 H2 3453 1.008000 0.423800 -8.1338E+00 -1.2148E+01 -1.1191E+01 O6 3454 15.999400 -0.847600 6.2566E+00 8.1636E+00 1.5469E+01 H1 3455 1.008000 0.423800 6.1285E+00 7.1763E+00 1.5374E+01 H2 3456 1.008000 0.423800 5.6674E+00 8.5078E+00 1.6200E+01 O6 3457 15.999400 -0.847600 -1.0286E+01 7.9726E+00 -7.6343E+00 H1 3458 1.008000 0.423800 -1.0529E+01 8.1228E+00 -6.6760E+00 H2 3459 1.008000 0.423800 -1.0747E+01 8.6520E+00 -8.2054E+00 O6 3460 15.999400 -0.847600 -5.8900E+00 -5.5221E+00 8.5297E+00 H1 3461 1.008000 0.423800 -6.4754E+00 -4.7163E+00 8.4403E+00 H2 3462 1.008000 0.423800 -6.2422E+00 -6.2560E+00 7.9489E+00 O6 3463 15.999400 -0.847600 1.3772E+01 -9.2447E-01 4.4002E+00 H1 3464 1.008000 0.423800 1.3975E+01 5.4179E-02 4.4303E+00 H2 3465 1.008000 0.423800 1.3106E+01 -1.1045E+00 3.6757E+00 O6 3466 15.999400 -0.847600 -1.0661E+01 -1.2107E+01 1.1612E+01 H1 3467 1.008000 0.423800 -1.0364E+01 -1.3052E+01 1.1472E+01 H2 3468 1.008000 0.423800 -1.0342E+01 -1.1786E+01 1.2504E+01 O6 3469 15.999400 -0.847600 -9.9074E+00 5.3367E+00 1.5326E+01 H1 3470 1.008000 0.423800 -1.0738E+01 5.2441E+00 1.5875E+01 H2 3471 1.008000 0.423800 -9.2854E+00 4.5816E+00 1.5533E+01 O6 3472 15.999400 -0.847600 -1.0578E+01 4.8120E+00 3.3988E+00 H1 3473 1.008000 0.423800 -9.8236E+00 5.3274E+00 3.8045E+00 H2 3474 1.008000 0.423800 -1.1103E+01 4.3636E+00 4.1227E+00 O6 3475 15.999400 -0.847600 -3.3564E+00 1.5465E+01 1.6340E+01 H1 3476 1.008000 0.423800 -3.5573E+00 1.5933E+01 1.5479E+01 H2 3477 1.008000 0.423800 -3.7981E+00 1.4568E+01 1.6343E+01 O6 3478 15.999400 -0.847600 -8.5632E+00 -5.0590E+00 1.7580E+01 H1 3479 1.008000 0.423800 -9.3192E+00 -5.6723E+00 1.7351E+01 H2 3480 1.008000 0.423800 -8.7850E+00 -4.1308E+00 1.7281E+01 O6 3481 15.999400 -0.847600 2.4721E+00 1.7884E+01 -1.1473E+01 H1 3482 1.008000 0.423800 2.3715E+00 1.7318E+01 -1.0655E+01 H2 3483 1.008000 0.423800 1.6190E+00 1.7870E+01 -1.1995E+01 O6 3484 15.999400 -0.847600 -1.9766E+00 -5.9657E+00 7.0802E+00 H1 3485 1.008000 0.423800 -2.2779E+00 -5.2575E+00 6.4417E+00 H2 3486 1.008000 0.423800 -2.6986E+00 -6.6498E+00 7.1840E+00 O6 3487 15.999400 -0.847600 -1.7572E+01 -1.4381E+01 4.2162E+00 H1 3488 1.008000 0.423800 -1.7142E+01 -1.3572E+01 4.6168E+00 H2 3489 1.008000 0.423800 -1.7946E+01 -1.4955E+01 4.9447E+00 O6 3490 15.999400 -0.847600 -1.6777E+01 1.4278E+01 2.3158E+00 H1 3491 1.008000 0.423800 -1.7711E+01 1.3958E+01 2.4752E+00 H2 3492 1.008000 0.423800 -1.6198E+01 1.3503E+01 2.0645E+00 O6 3493 15.999400 -0.847600 -3.3516E+00 -1.3300E+01 -5.2706E-01 H1 3494 1.008000 0.423800 -2.8010E+00 -1.2903E+01 -1.2616E+00 H2 3495 1.008000 0.423800 -3.5373E+00 -1.4261E+01 -7.3139E-01 O6 3496 15.999400 -0.847600 -6.8801E+00 7.0142E+00 -9.8084E+00 H1 3497 1.008000 0.423800 -6.6314E+00 6.4479E+00 -1.0594E+01 H2 3498 1.008000 0.423800 -7.5776E+00 7.6763E+00 -1.0082E+01 O6 3499 15.999400 -0.847600 1.8656E+01 1.6382E+01 -1.2348E+01 H1 3500 1.008000 0.423800 1.7975E+01 1.7095E+01 -1.2513E+01 H2 3501 1.008000 0.423800 1.8736E+01 1.5804E+01 -1.3159E+01 O6 3502 15.999400 -0.847600 3.5064E+00 -7.6546E+00 -9.3433E+00 H1 3503 1.008000 0.423800 2.9678E+00 -8.3523E+00 -9.8159E+00 H2 3504 1.008000 0.423800 3.0775E+00 -6.7602E+00 -9.4697E+00 O6 3505 15.999400 -0.847600 1.2259E+01 -1.0925E+01 -1.9103E+01 H1 3506 1.008000 0.423800 1.3080E+01 -1.0357E+01 -1.9037E+01 H2 3507 1.008000 0.423800 1.2220E+01 -1.1350E+01 1.9090E+01 O6 3508 15.999400 -0.847600 -1.6667E+01 9.6748E+00 1.2941E+01 H1 3509 1.008000 0.423800 -1.6153E+01 9.9423E+00 1.3756E+01 H2 3510 1.008000 0.423800 -1.6065E+01 9.1807E+00 1.2314E+01 O6 3511 15.999400 -0.847600 -1.1694E+00 -8.8773E+00 8.2734E+00 H1 3512 1.008000 0.423800 -1.7170E+00 -8.1737E+00 8.7263E+00 H2 3513 1.008000 0.423800 -1.3597E+00 -8.8673E+00 7.2918E+00 O6 3514 15.999400 -0.847600 -1.3605E+01 -2.9076E+00 1.2815E+01 H1 3515 1.008000 0.423800 -1.4237E+01 -2.6835E+00 1.3557E+01 H2 3516 1.008000 0.423800 -1.2667E+01 -2.7228E+00 1.3109E+01 O6 3517 15.999400 -0.847600 1.9357E+00 7.5945E+00 3.3293E+00 H1 3518 1.008000 0.423800 2.0349E+00 6.6336E+00 3.0705E+00 H2 3519 1.008000 0.423800 2.8392E+00 7.9903E+00 3.4938E+00 O6 3520 15.999400 -0.847600 -1.8739E+01 5.5769E+00 1.1514E+01 H1 3521 1.008000 0.423800 -1.9261E+01 4.7734E+00 1.1800E+01 H2 3522 1.008000 0.423800 -1.8966E+01 6.3500E+00 1.2106E+01 O6 3523 15.999400 -0.847600 -1.3517E+01 1.0351E+01 1.1236E+01 H1 3524 1.008000 0.423800 -1.2752E+01 1.0437E+01 1.0598E+01 H2 3525 1.008000 0.423800 -1.3996E+01 1.1226E+01 1.1303E+01 O6 3526 15.999400 -0.847600 -1.2644E+01 -4.9951E-01 -9.1119E+00 H1 3527 1.008000 0.423800 -1.2380E+01 4.1357E-01 -9.4221E+00 H2 3528 1.008000 0.423800 -1.3083E+01 -9.9268E-01 -9.8633E+00 O6 3529 15.999400 -0.847600 1.8897E+00 -6.6381E+00 -1.7476E+01 H1 3530 1.008000 0.423800 2.2075E+00 -5.6903E+00 -1.7449E+01 H2 3531 1.008000 0.423800 1.2160E+00 -6.7845E+00 -1.6752E+01 O6 3532 15.999400 -0.847600 5.3254E+00 1.7511E+01 1.0413E+01 H1 3533 1.008000 0.423800 5.7161E+00 1.6598E+01 1.0530E+01 H2 3534 1.008000 0.423800 5.8346E+00 1.8003E+01 9.7069E+00 O6 3535 15.999400 -0.847600 -8.9474E+00 1.3127E+01 1.2022E+00 H1 3536 1.008000 0.423800 -9.0010E+00 1.3121E+01 2.0366E-01 H2 3537 1.008000 0.423800 -8.2604E+00 1.2465E+01 1.5027E+00 O6 3538 15.999400 -0.847600 -1.8860E+01 -7.2332E+00 -1.4459E+01 H1 3539 1.008000 0.423800 -1.8249E+01 -7.8413E+00 -1.3952E+01 H2 3540 1.008000 0.423800 1.9373E+01 -7.7025E+00 -1.4636E+01 O6 3541 15.999400 -0.847600 1.8502E+01 1.3011E+01 1.0038E+01 H1 3542 1.008000 0.423800 1.9039E+01 1.3094E+01 9.1979E+00 H2 3543 1.008000 0.423800 1.8486E+01 1.2054E+01 1.0330E+01 O6 3544 15.999400 -0.847600 1.3493E+00 -1.7734E+01 1.4532E-01 H1 3545 1.008000 0.423800 1.7824E+00 -1.7277E+01 9.2215E-01 H2 3546 1.008000 0.423800 1.1221E+00 -1.8675E+01 3.9671E-01 O6 3547 15.999400 -0.847600 1.2212E+01 1.6508E+01 6.1941E+00 H1 3548 1.008000 0.423800 1.3018E+01 1.5923E+01 6.1098E+00 H2 3549 1.008000 0.423800 1.1696E+01 1.6491E+01 5.3373E+00 O6 3550 15.999400 -0.847600 -2.2909E+00 -1.3111E+01 6.3359E+00 H1 3551 1.008000 0.423800 -3.1735E+00 -1.2687E+01 6.1330E+00 H2 3552 1.008000 0.423800 -2.3611E+00 -1.3637E+01 7.1834E+00 O6 3553 15.999400 -0.847600 -3.8346E+00 -3.4889E+00 6.9607E+00 H1 3554 1.008000 0.423800 -3.6203E+00 -3.7174E+00 7.9104E+00 H2 3555 1.008000 0.423800 -3.9809E+00 -2.5030E+00 6.8800E+00 O6 3556 15.999400 -0.847600 -2.6878E-01 -1.6869E+01 1.0932E+01 H1 3557 1.008000 0.423800 4.7685E-01 -1.6207E+01 1.0850E+01 H2 3558 1.008000 0.423800 -2.2312E-01 -1.7518E+01 1.0174E+01 O6 3559 15.999400 -0.847600 1.0848E+01 -3.2257E+00 -1.5916E+01 H1 3560 1.008000 0.423800 1.0973E+01 -4.1722E+00 -1.6214E+01 H2 3561 1.008000 0.423800 1.0844E+01 -3.1881E+00 -1.4917E+01 O6 3562 15.999400 -0.847600 -6.1970E-01 -2.0859E+00 1.9831E-01 H1 3563 1.008000 0.423800 1.6739E-01 -2.5682E+00 5.8287E-01 H2 3564 1.008000 0.423800 -9.5076E-01 -1.4101E+00 8.5689E-01 O6 3565 15.999400 -0.847600 -3.0319E+00 1.3702E+01 4.3475E+00 H1 3566 1.008000 0.423800 -2.9676E+00 1.4620E+01 4.7380E+00 H2 3567 1.008000 0.423800 -2.2000E+00 1.3190E+01 4.5613E+00 O6 3568 15.999400 -0.847600 1.3637E+01 6.6476E+00 -1.5486E+01 H1 3569 1.008000 0.423800 1.3816E+01 6.1952E+00 -1.6360E+01 H2 3570 1.008000 0.423800 1.4341E+01 6.3866E+00 -1.4825E+01 O6 3571 15.999400 -0.847600 -1.8127E+01 -2.7938E+00 -3.6983E+00 H1 3572 1.008000 0.423800 -1.8618E+01 -1.9322E+00 -3.8249E+00 H2 3573 1.008000 0.423800 -1.7994E+01 -3.2351E+00 -4.5857E+00 O6 3574 15.999400 -0.847600 -1.4717E+01 3.2692E+00 -1.5561E+01 H1 3575 1.008000 0.423800 -1.4053E+01 2.6071E+00 -1.5907E+01 H2 3576 1.008000 0.423800 -1.5643E+01 2.9501E+00 -1.5764E+01 O6 3577 15.999400 -0.847600 -1.1570E+01 -9.7274E+00 5.7794E+00 H1 3578 1.008000 0.423800 -1.0651E+01 -9.3438E+00 5.8738E+00 H2 3579 1.008000 0.423800 -1.2222E+01 -8.9906E+00 5.6011E+00 O6 3580 15.999400 -0.847600 -1.0989E+01 6.8740E+00 -3.6160E+00 H1 3581 1.008000 0.423800 -1.0595E+01 6.3967E+00 -4.4012E+00 H2 3582 1.008000 0.423800 -1.1127E+01 6.2260E+00 -2.8669E+00 O6 3583 15.999400 -0.847600 1.6181E+01 6.7203E+00 -4.0331E+00 H1 3584 1.008000 0.423800 1.5714E+01 6.6348E+00 -4.9133E+00 H2 3585 1.008000 0.423800 1.7073E+01 6.2722E+00 -4.0842E+00 O6 3586 15.999400 -0.847600 -3.4564E+00 1.1323E+01 -2.4402E+00 H1 3587 1.008000 0.423800 -4.0063E+00 1.0973E+01 -1.6818E+00 H2 3588 1.008000 0.423800 -2.6048E+00 1.0803E+01 -2.5025E+00 O6 3589 15.999400 -0.847600 6.4844E+00 1.5409E+00 1.2568E+01 H1 3590 1.008000 0.423800 5.7123E+00 9.0844E-01 1.2630E+01 H2 3591 1.008000 0.423800 7.3396E+00 1.0226E+00 1.2555E+01 O6 3592 15.999400 -0.847600 1.2360E+01 -7.0160E+00 -4.8815E+00 H1 3593 1.008000 0.423800 1.2793E+01 -6.1511E+00 -5.1356E+00 H2 3594 1.008000 0.423800 1.2924E+01 -7.4837E+00 -4.2009E+00 O6 3595 15.999400 -0.847600 -1.3646E+01 -5.5782E+00 -4.1342E+00 H1 3596 1.008000 0.423800 -1.3902E+01 -5.0253E+00 -4.9270E+00 H2 3597 1.008000 0.423800 -1.4416E+01 -5.6265E+00 -3.4983E+00 O6 3598 15.999400 -0.847600 -1.1889E+01 -3.4196E+00 -1.0427E+01 H1 3599 1.008000 0.423800 -1.1850E+01 -3.0313E+00 -1.1347E+01 H2 3600 1.008000 0.423800 -1.1307E+01 -4.2317E+00 -1.0383E+01 O6 3601 15.999400 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-6.1902E+00 H2 3618 1.008000 0.423800 -7.8440E+00 1.4712E+01 -7.5361E+00 O6 3619 15.999400 -0.847600 -7.9968E+00 1.7351E+01 -9.9345E+00 H1 3620 1.008000 0.423800 -7.5941E+00 1.6525E+01 -1.0328E+01 H2 3621 1.008000 0.423800 -8.3675E+00 1.7923E+01 -1.0667E+01 O6 3622 15.999400 -0.847600 -1.1178E+01 -1.3401E+01 7.0169E+00 H1 3623 1.008000 0.423800 -1.1613E+01 -1.2704E+01 7.5879E+00 H2 3624 1.008000 0.423800 -1.1769E+01 -1.3609E+01 6.2376E+00 O6 3625 15.999400 -0.847600 1.2658E+01 -1.6388E+01 -1.2574E+01 H1 3626 1.008000 0.423800 1.2339E+01 -1.5455E+01 -1.2743E+01 H2 3627 1.008000 0.423800 1.3570E+01 -1.6505E+01 -1.2967E+01 O6 3628 15.999400 -0.847600 -5.4642E+00 -1.1373E+01 -4.7790E-01 H1 3629 1.008000 0.423800 -4.7307E+00 -1.2050E+01 -5.4179E-01 H2 3630 1.008000 0.423800 -5.1780E+00 -1.0627E+01 1.2321E-01 O6 3631 15.999400 -0.847600 1.4711E+01 -1.0964E+01 3.4744E+00 H1 3632 1.008000 0.423800 1.4312E+01 -1.1263E+01 4.3414E+00 H2 3633 1.008000 0.423800 1.5361E+01 -1.0223E+01 3.6441E+00 O6 3634 15.999400 -0.847600 9.2524E+00 7.5696E+00 9.3253E+00 H1 3635 1.008000 0.423800 9.1044E+00 6.8343E+00 9.9867E+00 H2 3636 1.008000 0.423800 9.7045E+00 7.2013E+00 8.5130E+00 O6 3637 15.999400 -0.847600 5.0621E+00 -8.6383E+00 1.1638E+01 H1 3638 1.008000 0.423800 4.4485E+00 -8.9943E+00 1.2343E+01 H2 3639 1.008000 0.423800 6.0026E+00 -8.6512E+00 1.1977E+01 O6 3640 15.999400 -0.847600 5.1254E+00 1.3147E+00 4.4127E+00 H1 3641 1.008000 0.423800 5.0866E+00 5.0141E-01 3.8321E+00 H2 3642 1.008000 0.423800 5.4004E+00 1.0512E+00 5.3373E+00 O6 3643 15.999400 -0.847600 7.5322E+00 1.6055E+01 -2.8149E+00 H1 3644 1.008000 0.423800 7.1899E+00 1.6823E+01 -3.3569E+00 H2 3645 1.008000 0.423800 8.0071E+00 1.5410E+01 -3.4135E+00 O6 3646 15.999400 -0.847600 5.2135E+00 -1.5918E+01 -1.4577E+01 H1 3647 1.008000 0.423800 5.9562E+00 -1.5905E+01 -1.5246E+01 H2 3648 1.008000 0.423800 5.5182E+00 -1.6392E+01 -1.3751E+01 O6 3649 15.999400 -0.847600 1.7271E+01 -1.5170E+01 -2.3298E+00 H1 3650 1.008000 0.423800 1.7608E+01 -1.4616E+01 -1.5683E+00 H2 3651 1.008000 0.423800 1.6314E+01 -1.5410E+01 -2.1695E+00 O6 3652 15.999400 -0.847600 -5.8581E+00 -1.7917E+01 3.7220E+00 H1 3653 1.008000 0.423800 -6.6904E+00 -1.8311E+01 3.3322E+00 H2 3654 1.008000 0.423800 -5.2875E+00 -1.7549E+01 2.9875E+00 O6 3655 15.999400 -0.847600 9.8690E-01 -1.6326E+01 7.6350E+00 H1 3656 1.008000 0.423800 4.9558E-01 -1.6158E+01 6.7805E+00 H2 3657 1.008000 0.423800 7.9705E-01 -1.7256E+01 7.9510E+00 O6 3658 15.999400 -0.847600 1.0333E+01 1.8459E+01 1.3821E+01 H1 3659 1.008000 0.423800 9.3864E+00 1.8512E+01 1.3503E+01 H2 3660 1.008000 0.423800 1.0526E+01 1.9233E+01 1.4423E+01 O6 3661 15.999400 -0.847600 6.5976E+00 -1.5689E+01 1.8078E+01 H1 3662 1.008000 0.423800 6.5593E+00 -1.4889E+01 1.8678E+01 H2 3663 1.008000 0.423800 6.4929E+00 -1.6520E+01 1.8624E+01 O6 3664 15.999400 -0.847600 -1.1974E+00 3.3206E+00 -1.4153E+01 H1 3665 1.008000 0.423800 -8.4689E-01 3.2885E+00 -1.3217E+01 H2 3666 1.008000 0.423800 -8.0502E-01 4.1077E+00 -1.4629E+01 O6 3667 15.999400 -0.847600 1.6431E+01 -8.4711E+00 9.6678E+00 H1 3668 1.008000 0.423800 1.5734E+01 -7.8228E+00 9.3620E+00 H2 3669 1.008000 0.423800 1.6937E+01 -8.8148E+00 8.8763E+00 O6 3670 15.999400 -0.847600 1.4804E+01 -1.8337E+01 1.3192E+01 H1 3671 1.008000 0.423800 1.5582E+01 -1.8939E+01 1.3013E+01 H2 3672 1.008000 0.423800 1.4864E+01 -1.7530E+01 1.2604E+01 O6 3673 15.999400 -0.847600 1.2579E+01 1.9321E+01 -1.8661E+01 H1 3674 1.008000 0.423800 1.2425E+01 -1.9534E+01 -1.7704E+01 H2 3675 1.008000 0.423800 1.1825E+01 1.8750E+01 -1.8986E+01 O6 3676 15.999400 -0.847600 1.8534E+01 4.8179E+00 1.8550E+00 H1 3677 1.008000 0.423800 1.8089E+01 4.7348E+00 9.6297E-01 H2 3678 1.008000 0.423800 1.9399E+01 5.3082E+00 1.7520E+00 O6 3679 15.999400 -0.847600 1.4852E+01 -1.8870E+01 -2.7121E+00 H1 3680 1.008000 0.423800 1.5483E+01 1.9454E+01 -2.6735E+00 H2 3681 1.008000 0.423800 1.5297E+01 -1.8057E+01 -2.3363E+00 O6 3682 15.999400 -0.847600 1.6025E+01 1.8827E+01 5.9570E+00 H1 3683 1.008000 0.423800 1.6321E+01 1.7938E+01 6.3050E+00 H2 3684 1.008000 0.423800 1.6305E+01 1.8921E+01 5.0015E+00 O6 3685 15.999400 -0.847600 -1.2510E+01 4.1636E+00 -6.1373E+00 H1 3686 1.008000 0.423800 -1.1686E+01 3.5997E+00 -6.0763E+00 H2 3687 1.008000 0.423800 -1.2625E+01 4.4842E+00 -7.0775E+00 O6 3688 15.999400 -0.847600 4.0924E+00 7.8867E+00 -9.0466E+00 H1 3689 1.008000 0.423800 4.8661E+00 8.3827E+00 -9.4409E+00 H2 3690 1.008000 0.423800 3.7140E+00 7.2620E+00 -9.7297E+00 O6 3691 15.999400 -0.847600 -1.1204E+01 1.0084E+01 -8.8920E+00 H1 3692 1.008000 0.423800 -1.0681E+01 1.0163E+01 -9.7404E+00 H2 3693 1.008000 0.423800 -1.1119E+01 1.0932E+01 -8.3683E+00 O6 3694 15.999400 -0.847600 -1.2727E+00 1.2141E+01 -1.6516E+01 H1 3695 1.008000 0.423800 -1.1519E+00 1.1598E+01 -1.5685E+01 H2 3696 1.008000 0.423800 -1.7694E+00 1.2981E+01 -1.6297E+01 O6 3697 15.999400 -0.847600 1.4828E+01 2.7932E+00 1.2807E+01 H1 3698 1.008000 0.423800 1.4982E+01 3.4420E+00 1.2062E+01 H2 3699 1.008000 0.423800 1.4379E+01 3.2607E+00 1.3569E+01 O6 3700 15.999400 -0.847600 1.7376E+01 1.1624E+01 3.0050E+00 H1 3701 1.008000 0.423800 1.7093E+01 1.1725E+01 2.0513E+00 H2 3702 1.008000 0.423800 1.7513E+01 1.0655E+01 3.2110E+00 O6 3703 15.999400 -0.847600 -2.9832E+00 -1.7792E+01 1.0782E+01 H1 3704 1.008000 0.423800 -3.0986E+00 -1.8671E+01 1.0319E+01 H2 3705 1.008000 0.423800 -2.0201E+00 -1.7664E+01 1.1019E+01 O6 3706 15.999400 -0.847600 -1.3226E+01 -1.0775E+01 1.1596E+01 H1 3707 1.008000 0.423800 -1.4048E+01 -1.1250E+01 1.1280E+01 H2 3708 1.008000 0.423800 -1.2449E+01 -1.1405E+01 1.1575E+01 O6 3709 15.999400 -0.847600 -9.4982E+00 1.3333E+01 6.1446E+00 H1 3710 1.008000 0.423800 -8.9743E+00 1.4102E+01 5.7778E+00 H2 3711 1.008000 0.423800 -9.2441E+00 1.2496E+01 5.6609E+00 O6 3712 15.999400 -0.847600 -5.7817E+00 -1.8061E+01 -1.8872E+01 H1 3713 1.008000 0.423800 -5.7115E+00 -1.8278E+01 -1.7898E+01 H2 3714 1.008000 0.423800 -6.7419E+00 -1.7922E+01 -1.9114E+01 O6 3715 15.999400 -0.847600 -1.0876E-01 -1.8020E+01 5.3423E+00 H1 3716 1.008000 0.423800 -3.3910E-01 -1.7053E+01 5.2365E+00 H2 3717 1.008000 0.423800 8.6208E-01 -1.8155E+01 5.1443E+00 O6 3718 15.999400 -0.847600 3.4887E+00 6.7458E+00 1.0170E+01 H1 3719 1.008000 0.423800 4.0464E+00 7.4612E+00 9.7490E+00 H2 3720 1.008000 0.423800 3.0393E+00 6.2099E+00 9.4551E+00 O6 3721 15.999400 -0.847600 1.6674E+01 1.8929E+01 1.0245E+00 H1 3722 1.008000 0.423800 1.6762E+01 1.8797E+01 2.0117E+00 H2 3723 1.008000 0.423800 1.6227E+01 -1.9292E+01 8.4490E-01 O6 3724 15.999400 -0.847600 -4.1510E+00 -7.6361E+00 7.2715E+00 H1 3725 1.008000 0.423800 -4.8541E+00 -6.9560E+00 7.0638E+00 H2 3726 1.008000 0.423800 -4.5803E+00 -8.5294E+00 7.4042E+00 O6 3727 15.999400 -0.847600 -6.2084E+00 -3.7049E+00 -1.6650E+01 H1 3728 1.008000 0.423800 -6.4067E+00 -4.6526E+00 -1.6901E+01 H2 3729 1.008000 0.423800 -6.3750E+00 -3.1105E+00 -1.7437E+01 O6 3730 15.999400 -0.847600 1.0850E+01 9.8124E-02 1.4714E+01 H1 3731 1.008000 0.423800 1.0603E+01 8.5691E-01 1.5316E+01 H2 3732 1.008000 0.423800 1.1550E+01 4.0046E-01 1.4067E+01 O6 3733 15.999400 -0.847600 -1.7498E+01 -1.4053E+01 -2.0158E+00 H1 3734 1.008000 0.423800 -1.7058E+01 -1.3420E+01 -2.6526E+00 H2 3735 1.008000 0.423800 -1.8224E+01 -1.4552E+01 -2.4897E+00 O6 3736 15.999400 -0.847600 1.8230E+01 5.6936E+00 8.7649E+00 H1 3737 1.008000 0.423800 1.7345E+01 5.6568E+00 8.3010E+00 H2 3738 1.008000 0.423800 1.8126E+01 6.1540E+00 9.6464E+00 O6 3739 15.999400 -0.847600 1.8402E+01 1.6189E+01 4.4327E+00 H1 3740 1.008000 0.423800 1.9212E+01 1.6336E+01 3.8640E+00 H2 3741 1.008000 0.423800 1.8679E+01 1.6097E+01 5.3892E+00 O6 3742 15.999400 -0.847600 7.3898E+00 -5.9505E+00 9.7079E+00 H1 3743 1.008000 0.423800 7.4105E+00 -4.9705E+00 9.5099E+00 H2 3744 1.008000 0.423800 7.8029E+00 -6.1185E+00 1.0603E+01 O6 3745 15.999400 -0.847600 -9.7964E+00 -7.0540E+00 8.7830E+00 H1 3746 1.008000 0.423800 -9.4150E+00 -6.2462E+00 8.3335E+00 H2 3747 1.008000 0.423800 -9.0814E+00 -7.7450E+00 8.8894E+00 O6 3748 15.999400 -0.847600 -3.1273E-01 -1.6317E+00 -1.7541E+01 H1 3749 1.008000 0.423800 -5.2375E-01 -2.3267E+00 -1.8229E+01 H2 3750 1.008000 0.423800 -7.8156E-01 -1.8550E+00 -1.6687E+01 O6 3751 15.999400 -0.847600 -9.2792E+00 1.0847E+01 4.8589E+00 H1 3752 1.008000 0.423800 -9.7174E+00 1.0525E+01 5.6980E+00 H2 3753 1.008000 0.423800 -8.3535E+00 1.0473E+01 4.8015E+00 O6 3754 15.999400 -0.847600 1.7971E+01 3.5447E+00 1.8108E+01 H1 3755 1.008000 0.423800 1.8290E+01 3.8324E+00 1.9011E+01 H2 3756 1.008000 0.423800 1.8562E+01 3.9388E+00 1.7405E+01 O6 3757 15.999400 -0.847600 -1.2509E+01 -7.8997E+00 9.2870E+00 H1 3758 1.008000 0.423800 -1.1513E+01 -7.8960E+00 9.2004E+00 H2 3759 1.008000 0.423800 -1.2759E+01 -7.8644E+00 1.0254E+01 O6 3760 15.999400 -0.847600 1.6608E+01 1.4609E+01 2.8369E+00 H1 3761 1.008000 0.423800 1.7144E+01 1.3772E+01 2.9478E+00 H2 3762 1.008000 0.423800 1.7053E+01 1.5357E+01 3.3294E+00 O6 3763 15.999400 -0.847600 -1.2935E+01 -1.6217E+01 -7.3306E+00 H1 3764 1.008000 0.423800 -1.2040E+01 -1.6006E+01 -7.7217E+00 H2 3765 1.008000 0.423800 -1.2816E+01 -1.6626E+01 -6.4261E+00 O6 3766 15.999400 -0.847600 8.6391E+00 2.0724E+00 6.0574E+00 H1 3767 1.008000 0.423800 9.2352E+00 1.6248E+00 5.3909E+00 H2 3768 1.008000 0.423800 8.4444E+00 1.4406E+00 6.8076E+00 O6 3769 15.999400 -0.847600 3.7023E+00 4.0168E-01 -1.8374E-01 H1 3770 1.008000 0.423800 3.3076E+00 6.0053E-01 7.1330E-01 H2 3771 1.008000 0.423800 3.5176E+00 1.1629E+00 -8.0529E-01 O6 3772 15.999400 -0.847600 1.7303E+01 1.2388E+01 1.7341E+01 H1 3773 1.008000 0.423800 1.7084E+01 1.1452E+01 1.7615E+01 H2 3774 1.008000 0.423800 1.6798E+01 1.2619E+01 1.6508E+01 O6 3775 15.999400 -0.847600 -1.0129E+01 2.8465E+00 -6.0088E+00 H1 3776 1.008000 0.423800 -1.0416E+01 2.0967E+00 -6.6051E+00 H2 3777 1.008000 0.423800 -9.1618E+00 2.7384E+00 -5.7792E+00 O6 3778 15.999400 -0.847600 2.6831E+00 -1.4588E+01 1.5361E+01 H1 3779 1.008000 0.423800 2.9557E+00 -1.5105E+01 1.6173E+01 H2 3780 1.008000 0.423800 1.6959E+00 -1.4430E+01 1.5383E+01 O6 3781 15.999400 -0.847600 4.2128E+00 -2.3633E+00 5.0303E-01 H1 3782 1.008000 0.423800 4.4933E+00 -3.0952E+00 -1.1807E-01 H2 3783 1.008000 0.423800 4.2010E+00 -1.4937E+00 9.5270E-03 O6 3784 15.999400 -0.847600 -1.4375E+01 -1.0768E+01 -1.0929E-01 H1 3785 1.008000 0.423800 -1.3751E+01 -1.0248E+01 -6.9173E-01 H2 3786 1.008000 0.423800 -1.5311E+01 -1.0661E+01 -4.4419E-01 O6 3787 15.999400 -0.847600 -1.6958E+01 1.5197E+01 -2.0013E-01 H1 3788 1.008000 0.423800 -1.7175E+01 1.4483E+01 -8.6558E-01 H2 3789 1.008000 0.423800 -1.6970E+01 1.4808E+01 7.2127E-01 O6 3790 15.999400 -0.847600 -5.7807E+00 1.2584E+00 1.1777E+01 H1 3791 1.008000 0.423800 -6.1712E+00 1.3839E+00 1.0865E+01 H2 3792 1.008000 0.423800 -6.0247E+00 3.5219E-01 1.2122E+01 O6 3793 15.999400 -0.847600 -1.5321E+01 -1.4058E+00 -1.8054E+01 H1 3794 1.008000 0.423800 -1.4443E+01 -1.3361E+00 -1.7580E+01 H2 3795 1.008000 0.423800 -1.5344E+01 -2.2492E+00 -1.8591E+01 O6 3796 15.999400 -0.847600 2.4428E-01 7.1366E+00 1.5494E+01 H1 3797 1.008000 0.423800 1.0737E-01 8.1264E+00 1.5453E+01 H2 3798 1.008000 0.423800 -5.5607E-01 6.7066E+00 1.5912E+01 O6 3799 15.999400 -0.847600 4.5457E+00 -7.6502E+00 1.8867E+00 H1 3800 1.008000 0.423800 4.2873E+00 -7.5942E+00 9.2226E-01 H2 3801 1.008000 0.423800 3.7210E+00 -7.6832E+00 2.4513E+00 O6 3802 15.999400 -0.847600 1.2950E+01 -6.1914E+00 -1.7806E+00 H1 3803 1.008000 0.423800 1.2840E+01 -5.5029E+00 -2.4973E+00 H2 3804 1.008000 0.423800 1.2057E+01 -6.4081E+00 -1.3860E+00 O6 3805 15.999400 -0.847600 -7.9053E+00 4.7065E+00 -3.4351E+00 H1 3806 1.008000 0.423800 -8.5107E+00 3.9284E+00 -3.2673E+00 H2 3807 1.008000 0.423800 -8.3627E+00 5.3609E+00 -4.0372E+00 O6 3808 15.999400 -0.847600 -1.1660E+01 -1.5515E+01 -1.8004E+01 H1 3809 1.008000 0.423800 -1.2034E+01 -1.4923E+01 -1.7290E+01 H2 3810 1.008000 0.423800 -1.1757E+01 -1.6471E+01 -1.7728E+01 O6 3811 15.999400 -0.847600 -3.1948E+00 1.2614E+01 1.8419E+01 H1 3812 1.008000 0.423800 -3.5368E+00 1.2602E+01 1.7480E+01 H2 3813 1.008000 0.423800 -3.2794E+00 1.1701E+01 1.8817E+01 O6 3814 15.999400 -0.847600 1.8943E+01 -8.4481E+00 4.0829E+00 H1 3815 1.008000 0.423800 1.9343E+01 -9.2302E+00 4.5608E+00 H2 3816 1.008000 0.423800 1.9287E+01 -7.5999E+00 4.4858E+00 O6 3817 15.999400 -0.847600 -1.4351E+01 -1.7316E+01 1.4363E+00 H1 3818 1.008000 0.423800 -1.4985E+01 -1.7336E+01 6.6263E-01 H2 3819 1.008000 0.423800 -1.4783E+01 -1.6851E+01 2.2089E+00 O6 3820 15.999400 -0.847600 -1.6746E+01 -5.5116E+00 4.3095E+00 H1 3821 1.008000 0.423800 -1.6824E+01 -4.8673E+00 3.5487E+00 H2 3822 1.008000 0.423800 -1.5976E+01 -5.2488E+00 4.8908E+00 O6 3823 15.999400 -0.847600 -1.8818E+01 -2.1648E+00 1.6974E+01 H1 3824 1.008000 0.423800 -1.9278E+01 -1.3208E+00 1.7250E+01 H2 3825 1.008000 0.423800 -1.9366E+01 -2.6309E+00 1.6279E+01 O6 3826 15.999400 -0.847600 1.1460E+01 -1.4900E+01 1.5108E+01 H1 3827 1.008000 0.423800 1.1483E+01 -1.5421E+01 1.5962E+01 H2 3828 1.008000 0.423800 1.1426E+01 -1.5530E+01 1.4333E+01 O6 3829 15.999400 -0.847600 8.3887E+00 4.0383E+00 1.6254E+01 H1 3830 1.008000 0.423800 7.7796E+00 3.3068E+00 1.6560E+01 H2 3831 1.008000 0.423800 7.9843E+00 4.5000E+00 1.5465E+01 O6 3832 15.999400 -0.847600 -9.9972E+00 -2.4906E+00 6.6850E+00 H1 3833 1.008000 0.423800 -1.0180E+01 -1.6771E+00 6.1330E+00 H2 3834 1.008000 0.423800 -9.8269E+00 -3.2705E+00 6.0827E+00 O6 3835 15.999400 -0.847600 -8.2997E-02 8.2639E+00 -1.2358E+00 H1 3836 1.008000 0.423800 -8.8218E-01 7.7238E+00 -1.4997E+00 H2 3837 1.008000 0.423800 7.4992E-01 7.7577E+00 -1.4593E+00 O6 3838 15.999400 -0.847600 -1.7344E+01 1.4532E+01 -1.4943E+01 H1 3839 1.008000 0.423800 -1.6911E+01 1.4713E+01 -1.4060E+01 H2 3840 1.008000 0.423800 -1.8282E+01 1.4219E+01 -1.4797E+01 O6 3841 15.999400 -0.847600 -1.1177E+01 7.0481E+00 7.3097E+00 H1 3842 1.008000 0.423800 -1.1439E+01 6.9193E+00 8.2661E+00 H2 3843 1.008000 0.423800 -1.0407E+01 6.4493E+00 7.0919E+00 O6 3844 15.999400 -0.847600 -8.8614E+00 1.3742E+01 1.7281E+01 H1 3845 1.008000 0.423800 -8.6290E+00 1.4712E+01 1.7205E+01 H2 3846 1.008000 0.423800 -8.9948E+00 1.3359E+01 1.6367E+01 O6 3847 15.999400 -0.847600 1.1787E+01 -1.4060E+01 2.7598E+00 H1 3848 1.008000 0.423800 1.1948E+01 -1.3093E+01 2.5617E+00 H2 3849 1.008000 0.423800 1.0816E+01 -1.4267E+01 2.6388E+00 O6 3850 15.999400 -0.847600 5.5283E+00 6.6118E+00 -6.6386E+00 H1 3851 1.008000 0.423800 5.1335E+00 5.8719E+00 -6.0937E+00 H2 3852 1.008000 0.423800 4.9432E+00 7.4203E+00 -6.5762E+00 O6 3853 15.999400 -0.847600 -1.2815E+01 -1.1460E+01 3.4675E+00 H1 3854 1.008000 0.423800 -1.2318E+01 -1.2297E+01 3.2383E+00 H2 3855 1.008000 0.423800 -1.2418E+01 -1.1052E+01 4.2895E+00 O6 3856 15.999400 -0.847600 -8.4397E+00 -6.7980E+00 -1.0980E+00 H1 3857 1.008000 0.423800 -9.2836E+00 -6.3033E+00 -8.9033E-01 H2 3858 1.008000 0.423800 -7.6717E+00 -6.3561E+00 -6.3460E-01 O6 3859 15.999400 -0.847600 7.5655E+00 4.4749E-01 -1.7350E+01 H1 3860 1.008000 0.423800 8.4189E+00 -4.0586E-02 -1.7167E+01 H2 3861 1.008000 0.423800 7.6221E+00 1.3714E+00 -1.6972E+01 O6 3862 15.999400 -0.847600 -7.9960E+00 1.9269E+01 1.5385E+01 H1 3863 1.008000 0.423800 -8.6834E+00 -1.9529E+01 1.6047E+01 H2 3864 1.008000 0.423800 -7.9700E+00 -1.9186E+01 1.4618E+01 O6 3865 15.999400 -0.847600 -4.1600E+00 -5.7378E+00 -1.2850E+01 H1 3866 1.008000 0.423800 -4.8081E+00 -5.2843E+00 -1.2239E+01 H2 3867 1.008000 0.423800 -3.8249E+00 -5.0817E+00 -1.3527E+01 O6 3868 15.999400 -0.847600 6.7688E+00 1.3829E+01 -7.1384E+00 H1 3869 1.008000 0.423800 6.6864E+00 1.3768E+01 -8.1331E+00 H2 3870 1.008000 0.423800 7.6601E+00 1.3475E+01 -6.8554E+00 O6 3871 15.999400 -0.847600 1.0509E+01 -9.5189E-01 -1.1755E+00 H1 3872 1.008000 0.423800 1.0416E+01 -9.3913E-01 -1.7994E-01 H2 3873 1.008000 0.423800 1.0186E+01 -1.8296E+00 -1.5292E+00 O6 3874 15.999400 -0.847600 1.5244E+01 1.8570E+00 -4.9528E+00 H1 3875 1.008000 0.423800 1.6153E+01 1.9847E+00 -5.3492E+00 H2 3876 1.008000 0.423800 1.5324E+01 1.3606E+00 -4.0884E+00 O6 3877 15.999400 -0.847600 3.4992E+00 1.4589E+01 -6.0280E-01 H1 3878 1.008000 0.423800 3.2452E+00 1.3624E+01 -5.3994E-01 H2 3879 1.008000 0.423800 2.8822E+00 1.5133E+01 -3.4700E-02 O6 3880 15.999400 -0.847600 -9.0342E+00 5.8332E+00 -8.3254E+00 H1 3881 1.008000 0.423800 -8.1149E+00 6.0206E+00 -8.6716E+00 H2 3882 1.008000 0.423800 -9.4916E+00 6.6960E+00 -8.1103E+00 O6 3883 15.999400 -0.847600 -4.9683E+00 9.4643E+00 -4.0179E+00 H1 3884 1.008000 0.423800 -5.9493E+00 9.6363E+00 -3.9278E+00 H2 3885 1.008000 0.423800 -4.4583E+00 1.0218E+01 -3.6028E+00 O6 3886 15.999400 -0.847600 1.5915E+01 -1.5057E+01 -1.5420E+01 H1 3887 1.008000 0.423800 1.6644E+01 -1.5543E+01 -1.5901E+01 H2 3888 1.008000 0.423800 1.5556E+01 -1.5635E+01 -1.4687E+01 O6 3889 15.999400 -0.847600 -1.2622E+01 1.4078E+01 -9.4143E+00 H1 3890 1.008000 0.423800 -1.2276E+01 1.4779E+01 -1.0038E+01 H2 3891 1.008000 0.423800 -1.3106E+01 1.3376E+01 -9.9365E+00 O6 3892 15.999400 -0.847600 1.6487E+01 -9.9617E+00 1.4113E+01 H1 3893 1.008000 0.423800 1.7322E+01 -9.4565E+00 1.3896E+01 H2 3894 1.008000 0.423800 1.5736E+01 -9.3174E+00 1.4257E+01 O6 3895 15.999400 -0.847600 1.8627E+01 2.2480E+00 -1.4545E+01 H1 3896 1.008000 0.423800 1.8035E+01 1.4420E+00 -1.4533E+01 H2 3897 1.008000 0.423800 1.9411E+01 2.0952E+00 -1.3944E+01 O6 3898 15.999400 -0.847600 1.2781E+01 4.2471E+00 -7.7811E+00 H1 3899 1.008000 0.423800 1.3223E+01 4.2030E+00 -8.6770E+00 H2 3900 1.008000 0.423800 1.2080E+01 4.9603E+00 -7.7900E+00 O6 3901 15.999400 -0.847600 6.3425E+00 -6.2200E+00 -2.4125E+00 H1 3902 1.008000 0.423800 7.1942E+00 -5.6989E+00 -2.3566E+00 H2 3903 1.008000 0.423800 6.2622E+00 -6.6309E+00 -3.3207E+00 O6 3904 15.999400 -0.847600 -3.0625E+00 3.6451E+00 1.4345E+01 H1 3905 1.008000 0.423800 -2.8799E+00 3.9463E+00 1.3409E+01 H2 3906 1.008000 0.423800 -4.0244E+00 3.3852E+00 1.4429E+01 O6 3907 15.999400 -0.847600 1.0211E+01 4.0154E+00 7.2470E+00 H1 3908 1.008000 0.423800 9.7376E+00 3.5269E+00 6.5143E+00 H2 3909 1.008000 0.423800 9.6135E+00 4.0793E+00 8.0459E+00 O6 3910 15.999400 -0.847600 1.3754E+01 7.0943E+00 9.6101E+00 H1 3911 1.008000 0.423800 1.3339E+01 7.9795E+00 9.8191E+00 H2 3912 1.008000 0.423800 1.3087E+01 6.5155E+00 9.1410E+00 O6 3913 15.999400 -0.847600 -1.1582E+01 -1.9248E+01 1.3382E+01 H1 3914 1.008000 0.423800 -1.1077E+01 1.9111E+01 1.2935E+01 H2 3915 1.008000 0.423800 -1.1033E+01 -1.8875E+01 1.4130E+01 O6 3916 15.999400 -0.847600 2.8198E-01 2.0859E+00 1.2890E+00 H1 3917 1.008000 0.423800 2.0370E-01 2.7247E+00 5.2360E-01 H2 3918 1.008000 0.423800 -5.9942E-01 2.0159E+00 1.7561E+00 O6 3919 15.999400 -0.847600 -8.7175E+00 -4.3723E+00 -1.5348E+01 H1 3920 1.008000 0.423800 -7.7674E+00 -4.1677E+00 -1.5584E+01 H2 3921 1.008000 0.423800 -8.7451E+00 -4.8834E+00 -1.4489E+01 O6 3922 15.999400 -0.847600 -1.6450E+01 -1.2227E+00 2.0155E+00 H1 3923 1.008000 0.423800 -1.5690E+01 -7.6037E-01 1.5582E+00 H2 3924 1.008000 0.423800 -1.6623E+01 -7.8607E-01 2.8983E+00 O6 3925 15.999400 -0.847600 -2.8550E+00 1.9300E+01 8.4295E+00 H1 3926 1.008000 0.423800 -3.2697E+00 1.8390E+01 8.4015E+00 H2 3927 1.008000 0.423800 -2.8675E+00 -1.9398E+01 7.5132E+00 O6 3928 15.999400 -0.847600 -1.6145E+01 -1.5039E+01 -1.0524E+01 H1 3929 1.008000 0.423800 -1.5932E+01 -1.5113E+01 -9.5498E+00 H2 3930 1.008000 0.423800 -1.5328E+01 -1.4750E+01 -1.1023E+01 O6 3931 15.999400 -0.847600 6.7914E+00 1.3145E+01 -2.5035E+00 H1 3932 1.008000 0.423800 6.2410E+00 1.2963E+01 -3.3184E+00 H2 3933 1.008000 0.423800 6.8805E+00 1.4133E+01 -2.3756E+00 O6 3934 15.999400 -0.847600 -1.2060E+01 3.8113E+00 5.4120E+00 H1 3935 1.008000 0.423800 -1.2970E+01 4.1636E+00 5.6303E+00 H2 3936 1.008000 0.423800 -1.1580E+01 3.5817E+00 6.2585E+00 O6 3937 15.999400 -0.847600 -2.8501E+00 8.1852E+00 1.2914E+01 H1 3938 1.008000 0.423800 -2.5129E+00 7.2636E+00 1.3106E+01 H2 3939 1.008000 0.423800 -3.4172E+00 8.4983E+00 1.3676E+01 O6 3940 15.999400 -0.847600 -1.3988E+01 -8.6327E+00 -6.9724E+00 H1 3941 1.008000 0.423800 -1.4622E+01 -9.3986E+00 -7.0749E+00 H2 3942 1.008000 0.423800 -1.3950E+01 -8.1142E+00 -7.8266E+00 O6 3943 15.999400 -0.847600 -8.4818E+00 1.7679E+01 7.2533E+00 H1 3944 1.008000 0.423800 -8.1254E+00 1.8399E+01 7.8487E+00 H2 3945 1.008000 0.423800 -9.2325E+00 1.8044E+01 6.7023E+00 O6 3946 15.999400 -0.847600 -1.3669E+01 1.7692E+01 7.0713E-01 H1 3947 1.008000 0.423800 -1.3971E+01 1.7527E+01 1.6464E+00 H2 3948 1.008000 0.423800 -1.3711E+01 1.6837E+01 1.8907E-01 O6 3949 15.999400 -0.847600 5.6571E+00 1.0361E+01 1.2593E+01 H1 3950 1.008000 0.423800 6.0592E+00 1.0226E+01 1.1687E+01 H2 3951 1.008000 0.423800 6.1914E+00 9.8596E+00 1.3273E+01 O6 3952 15.999400 -0.847600 -1.0926E+01 -5.5657E+00 -3.0259E+00 H1 3953 1.008000 0.423800 -1.1835E+01 -5.6901E+00 -3.4254E+00 H2 3954 1.008000 0.423800 -1.0245E+01 -5.5183E+00 -3.7560E+00 O6 3955 15.999400 -0.847600 -1.3197E+01 -1.3314E+01 2.5140E-01 H1 3956 1.008000 0.423800 -1.3853E+01 -1.3998E+01 -6.6227E-02 H2 3957 1.008000 0.423800 -1.3575E+01 -1.2399E+01 1.1119E-01 O6 3958 15.999400 -0.847600 1.2649E+01 5.5815E+00 7.2836E+00 H1 3959 1.008000 0.423800 1.2628E+01 6.5593E+00 7.0750E+00 H2 3960 1.008000 0.423800 1.1735E+01 5.1947E+00 7.1636E+00 O6 3961 15.999400 -0.847600 8.0427E+00 1.8485E+01 -8.6262E+00 H1 3962 1.008000 0.423800 8.2045E+00 1.9409E+01 -8.9729E+00 H2 3963 1.008000 0.423800 8.2989E+00 1.8442E+01 -7.6605E+00 O6 3964 15.999400 -0.847600 -7.3142E+00 8.6250E+00 -6.8075E+00 H1 3965 1.008000 0.423800 -7.6207E+00 9.3327E+00 -7.4441E+00 H2 3966 1.008000 0.423800 -6.6387E+00 8.0414E+00 -7.2581E+00 O6 3967 15.999400 -0.847600 -1.6748E+01 1.7841E+01 1.5647E+01 H1 3968 1.008000 0.423800 -1.6931E+01 1.7009E+01 1.6172E+01 H2 3969 1.008000 0.423800 -1.7442E+01 1.7946E+01 1.4936E+01 O6 3970 15.999400 -0.847600 8.1430E-01 -1.3861E+01 -5.1308E+00 H1 3971 1.008000 0.423800 1.4642E+00 -1.3880E+01 -5.8906E+00 H2 3972 1.008000 0.423800 1.5638E-01 -1.4606E+01 -5.2366E+00 O6 3973 15.999400 -0.847600 1.6685E+01 1.6756E+01 -1.0046E+01 H1 3974 1.008000 0.423800 1.7121E+01 1.7574E+01 -9.6707E+00 H2 3975 1.008000 0.423800 1.6952E+01 1.6645E+01 -1.1003E+01 O6 3976 15.999400 -0.847600 -4.9641E+00 9.3133E+00 -1.4572E+01 H1 3977 1.008000 0.423800 -4.9183E+00 8.3612E+00 -1.4269E+01 H2 3978 1.008000 0.423800 -4.7921E+00 9.3591E+00 -1.5556E+01 O6 3979 15.999400 -0.847600 -3.2663E+00 1.6951E+01 1.8704E+01 H1 3980 1.008000 0.423800 -3.4397E+00 1.6402E+01 1.7886E+01 H2 3981 1.008000 0.423800 -3.4673E+00 1.7911E+01 1.8511E+01 O6 3982 15.999400 -0.847600 8.0851E+00 7.6068E+00 -6.4409E+00 H1 3983 1.008000 0.423800 7.1525E+00 7.2576E+00 -6.5322E+00 H2 3984 1.008000 0.423800 8.7039E+00 6.8519E+00 -6.2236E+00 O6 3985 15.999400 -0.847600 1.1283E+01 -1.3107E+01 -3.4731E+00 H1 3986 1.008000 0.423800 1.0689E+01 -1.2458E+01 -3.9482E+00 H2 3987 1.008000 0.423800 1.2104E+01 -1.2636E+01 -3.1524E+00 O6 3988 15.999400 -0.847600 -1.7163E+01 -2.3845E-01 -7.8619E+00 H1 3989 1.008000 0.423800 -1.6669E+01 4.6394E-01 -7.3496E+00 H2 3990 1.008000 0.423800 -1.7242E+01 -1.0643E+00 -7.3036E+00 O6 3991 15.999400 -0.847600 1.7702E+01 -4.8205E+00 -1.5824E+01 H1 3992 1.008000 0.423800 1.6711E+01 -4.9310E+00 -1.5898E+01 H2 3993 1.008000 0.423800 1.7908E+01 -3.9611E+00 -1.5356E+01 O6 3994 15.999400 -0.847600 9.2155E+00 5.1442E+00 2.8394E+00 H1 3995 1.008000 0.423800 8.9719E+00 4.7437E+00 1.9560E+00 H2 3996 1.008000 0.423800 8.9587E+00 4.5148E+00 3.5728E+00 O6 3997 15.999400 -0.847600 7.5224E+00 2.8912E+00 -5.3973E+00 H1 3998 1.008000 0.423800 7.8798E+00 3.5576E+00 -6.0517E+00 H2 3999 1.008000 0.423800 8.2625E+00 2.2899E+00 -5.0961E+00 O6 4000 15.999400 -0.847600 1.8837E+01 3.6842E+00 1.2522E+01 H1 4001 1.008000 0.423800 1.8450E+01 4.0348E+00 1.3375E+01 H2 4002 1.008000 0.423800 1.8177E+01 3.0744E+00 1.2083E+01 O6 4003 15.999400 -0.847600 3.5410E+00 -2.5910E+00 -1.4955E+01 H1 4004 1.008000 0.423800 3.7816E+00 -3.1217E+00 -1.4142E+01 H2 4005 1.008000 0.423800 4.2132E+00 -1.8627E+00 -1.5088E+01 O6 4006 15.999400 -0.847600 -1.1375E+01 1.6028E+01 4.2175E+00 H1 4007 1.008000 0.423800 -1.1154E+01 1.5716E+01 3.2936E+00 H2 4008 1.008000 0.423800 -1.0878E+01 1.5473E+01 4.8846E+00 O6 4009 15.999400 -0.847600 -1.2964E+01 -7.8655E+00 1.1830E+01 H1 4010 1.008000 0.423800 -1.2965E+01 -8.8016E+00 1.2182E+01 H2 4011 1.008000 0.423800 -1.3440E+01 -7.2669E+00 1.2474E+01 O6 4012 15.999400 -0.847600 -6.7058E+00 1.4230E+00 1.9168E+01 H1 4013 1.008000 0.423800 -7.6201E+00 1.6838E+00 1.8858E+01 H2 4014 1.008000 0.423800 -6.0801E+00 2.1934E+00 1.9046E+01 O6 4015 15.999400 -0.847600 -8.8659E+00 -1.9185E+01 1.0911E+01 H1 4016 1.008000 0.423800 -9.7139E+00 1.9530E+01 1.0544E+01 H2 4017 1.008000 0.423800 -8.1391E+00 -1.9272E+01 1.0229E+01 O6 4018 15.999400 -0.847600 9.2247E+00 2.6598E+00 -1.1195E+01 H1 4019 1.008000 0.423800 8.6329E+00 2.4590E+00 -1.1975E+01 H2 4020 1.008000 0.423800 9.2569E+00 1.8656E+00 -1.0588E+01 O6 4021 15.999400 -0.847600 9.6162E+00 -1.5831E+01 -1.1957E-01 H1 4022 1.008000 0.423800 8.9767E+00 -1.5787E+01 -8.8711E-01 H2 4023 1.008000 0.423800 1.0337E+01 -1.5150E+01 -2.4683E-01 O6 4024 15.999400 -0.847600 1.3260E+01 -1.8201E+01 2.2243E+00 H1 4025 1.008000 0.423800 1.3541E+01 -1.7272E+01 2.4644E+00 H2 4026 1.008000 0.423800 1.3393E+01 -1.8804E+01 3.0113E+00 O6 4027 15.999400 -0.847600 -1.6097E+01 -1.2449E+01 -1.4832E+01 H1 4028 1.008000 0.423800 -1.6920E+01 -1.2438E+01 -1.5400E+01 H2 4029 1.008000 0.423800 -1.6351E+01 -1.2612E+01 -1.3879E+01 O6 4030 15.999400 -0.847600 1.1125E+01 -9.8778E+00 -1.1590E+01 H1 4031 1.008000 0.423800 1.1901E+01 -1.0196E+01 -1.2134E+01 H2 4032 1.008000 0.423800 1.0272E+01 -1.0118E+01 -1.2053E+01 O6 4033 15.999400 -0.847600 -1.7574E+01 -3.2616E-01 6.4799E+00 H1 4034 1.008000 0.423800 -1.8482E+01 3.7265E-02 6.6900E+00 H2 4035 1.008000 0.423800 -1.7662E+01 -1.2553E+00 6.1207E+00 O6 4036 15.999400 -0.847600 1.6788E+01 -2.2900E+00 -3.0660E+00 H1 4037 1.008000 0.423800 1.6823E+01 -3.2751E+00 -3.2347E+00 H2 4038 1.008000 0.423800 1.7341E+01 -2.0694E+00 -2.2629E+00 O6 4039 15.999400 -0.847600 -2.6137E+00 -1.1389E+01 1.4901E+01 H1 4040 1.008000 0.423800 -3.0873E+00 -1.2016E+01 1.4283E+01 H2 4041 1.008000 0.423800 -1.9127E+00 -1.0887E+01 1.4394E+01 O6 4042 15.999400 -0.847600 6.8960E+00 -9.0181E+00 1.4211E+00 H1 4043 1.008000 0.423800 6.5910E+00 -9.7675E+00 8.3344E-01 H2 4044 1.008000 0.423800 6.0998E+00 -8.5398E+00 1.7916E+00 O6 4045 15.999400 -0.847600 1.8886E+01 8.3300E+00 -1.6599E+01 H1 4046 1.008000 0.423800 1.8645E+01 7.5058E+00 -1.6087E+01 H2 4047 1.008000 0.423800 -1.9367E+01 8.7171E+00 -1.6230E+01 O6 4048 15.999400 -0.847600 -1.9126E+01 1.3175E+01 -9.3576E+00 H1 4049 1.008000 0.423800 -1.9458E+01 1.3495E+01 -8.4706E+00 H2 4050 1.008000 0.423800 -1.8934E+01 1.3961E+01 -9.9454E+00 O6 4051 15.999400 -0.847600 -1.8282E+01 -9.1501E+00 1.5257E+01 H1 4052 1.008000 0.423800 -1.7483E+01 -9.2316E+00 1.4662E+01 H2 4053 1.008000 0.423800 -1.8194E+01 -8.3300E+00 1.5823E+01 O6 4054 15.999400 -0.847600 -8.1859E-01 1.2014E+01 8.2806E-01 H1 4055 1.008000 0.423800 -9.8804E-01 1.1730E+01 -1.1578E-01 H2 4056 1.008000 0.423800 7.7285E-02 1.1680E+01 1.1208E+00 O6 4057 15.999400 -0.847600 -9.9157E+00 2.0644E-01 -7.2049E+00 H1 4058 1.008000 0.423800 -1.0746E+01 -2.1085E-01 -6.8350E+00 H2 4059 1.008000 0.423800 -9.8248E+00 -3.2678E-02 -8.1716E+00 O6 4060 15.999400 -0.847600 1.1227E+01 1.9391E+01 -1.5675E+01 H1 4061 1.008000 0.423800 1.2051E+01 -1.9498E+01 -1.5149E+01 H2 4062 1.008000 0.423800 1.0803E+01 1.8560E+01 -1.5316E+01 O6 4063 15.999400 -0.847600 -4.0656E+00 1.3654E+01 -7.1018E+00 H1 4064 1.008000 0.423800 -3.1063E+00 1.3930E+01 -7.1625E+00 H2 4065 1.008000 0.423800 -4.5151E+00 1.4170E+01 -6.3724E+00 O6 4066 15.999400 -0.847600 1.4367E+01 9.4249E+00 1.3910E+01 H1 4067 1.008000 0.423800 1.3793E+01 8.6082E+00 1.3860E+01 H2 4068 1.008000 0.423800 1.4086E+01 1.0075E+01 1.3204E+01 O6 4069 15.999400 -0.847600 -1.9324E+01 1.1987E+01 1.8143E+01 H1 4070 1.008000 0.423800 -1.9257E+01 1.2002E+01 1.9140E+01 H2 4071 1.008000 0.423800 1.8814E+01 1.2062E+01 1.7872E+01 O6 4072 15.999400 -0.847600 -5.3128E-01 -1.3475E+01 -1.1941E+01 H1 4073 1.008000 0.423800 -8.9846E-01 -1.4326E+01 -1.2318E+01 H2 4074 1.008000 0.423800 4.3073E-01 -1.3605E+01 -1.1701E+01 O6 4075 15.999400 -0.847600 -1.2682E+01 4.6483E+00 -8.7424E+00 H1 4076 1.008000 0.423800 -1.3058E+01 4.5893E+00 -9.6672E+00 H2 4077 1.008000 0.423800 -1.1815E+01 5.1459E+00 -8.7663E+00 O6 4078 15.999400 -0.847600 2.9529E+00 -1.1187E+00 1.4529E+01 H1 4079 1.008000 0.423800 2.1513E+00 -7.9951E-01 1.5034E+01 H2 4080 1.008000 0.423800 3.2178E+00 -2.0239E+00 1.4861E+01 O6 4081 15.999400 -0.847600 -1.4873E+00 1.0390E+01 9.5491E+00 H1 4082 1.008000 0.423800 -5.6931E-01 1.0607E+01 9.8810E+00 H2 4083 1.008000 0.423800 -1.5017E+00 1.0442E+01 8.5506E+00 O6 4084 15.999400 -0.847600 1.0301E+01 7.2271E+00 6.6778E+00 H1 4085 1.008000 0.423800 9.7905E+00 6.7773E+00 5.9447E+00 H2 4086 1.008000 0.423800 1.1137E+01 7.6277E+00 6.3042E+00 O6 4087 15.999400 -0.847600 1.3430E+01 1.1456E+01 1.2263E+01 H1 4088 1.008000 0.423800 1.2746E+01 1.1384E+01 1.1537E+01 H2 4089 1.008000 0.423800 1.4179E+01 1.2044E+01 1.1959E+01 O6 4090 15.999400 -0.847600 -1.4473E+01 -3.7261E+00 -5.8803E+00 H1 4091 1.008000 0.423800 -1.3816E+01 -3.5776E+00 -6.6187E+00 H2 4092 1.008000 0.423800 -1.5066E+01 -2.9252E+00 -5.7961E+00 O6 4093 15.999400 -0.847600 -7.0526E+00 -1.1789E+01 1.2522E+01 H1 4094 1.008000 0.423800 -7.3195E+00 -1.2434E+01 1.1806E+01 H2 4095 1.008000 0.423800 -7.6769E+00 -1.1008E+01 1.2516E+01 O6 4096 15.999400 -0.847600 -5.6195E+00 6.1713E+00 1.2862E+01 H1 4097 1.008000 0.423800 -5.2862E+00 6.4115E+00 1.1950E+01 H2 4098 1.008000 0.423800 -5.7731E+00 5.1844E+00 1.2911E+01 O6 4099 15.999400 -0.847600 1.3296E+01 3.9118E+00 -5.2723E+00 H1 4100 1.008000 0.423800 1.3192E+01 4.0991E+00 -6.2490E+00 H2 4101 1.008000 0.423800 1.3979E+01 3.1929E+00 -5.1423E+00 O6 4102 15.999400 -0.847600 -2.5404E-01 -1.6073E+01 1.7509E+01 H1 4103 1.008000 0.423800 4.3428E-01 -1.5924E+01 1.8219E+01 H2 4104 1.008000 0.423800 -1.8230E-01 -1.5353E+01 1.6819E+01 O6 4105 15.999400 -0.847600 1.5424E+01 -5.9317E+00 7.9606E+00 H1 4106 1.008000 0.423800 1.4500E+01 -5.6584E+00 8.2293E+00 H2 4107 1.008000 0.423800 1.5438E+01 -6.1413E+00 6.9830E+00 O6 4108 15.999400 -0.847600 1.6929E+01 4.0993E+00 1.4813E+01 H1 4109 1.008000 0.423800 1.7237E+01 3.5495E+00 1.5590E+01 H2 4110 1.008000 0.423800 1.5950E+01 4.2837E+00 1.4903E+01 O6 4111 15.999400 -0.847600 -1.4648E+01 -6.5064E+00 1.3498E+01 H1 4112 1.008000 0.423800 -1.4485E+01 -6.3883E+00 1.4478E+01 H2 4113 1.008000 0.423800 -1.5409E+01 -5.9231E+00 1.3214E+01 O6 4114 15.999400 -0.847600 -9.7880E+00 -2.2754E-01 -1.8696E+01 H1 4115 1.008000 0.423800 -8.8344E+00 -5.1461E-01 -1.8788E+01 H2 4116 1.008000 0.423800 -9.8427E+00 5.5194E-01 -1.8072E+01 O6 4117 15.999400 -0.847600 -1.3007E+00 5.0739E+00 8.1488E+00 H1 4118 1.008000 0.423800 -1.9824E+00 4.3866E+00 8.3996E+00 H2 4119 1.008000 0.423800 -4.9333E-01 4.9700E+00 8.7296E+00 O6 4120 15.999400 -0.847600 -1.0947E+00 1.0914E+01 -1.4154E+01 H1 4121 1.008000 0.423800 -1.3343E+00 1.0024E+01 -1.3766E+01 H2 4122 1.008000 0.423800 -1.6949E+00 1.1617E+01 -1.3772E+01 O6 4123 15.999400 -0.847600 5.9087E+00 -4.0842E+00 -1.7954E+01 H1 4124 1.008000 0.423800 6.8826E+00 -4.0814E+00 -1.8180E+01 H2 4125 1.008000 0.423800 5.7891E+00 -4.3620E+00 -1.7001E+01 O6 4126 15.999400 -0.847600 1.5262E+01 3.8473E+00 1.9040E+01 H1 4127 1.008000 0.423800 1.5002E+01 2.9246E+00 1.9325E+01 H2 4128 1.008000 0.423800 1.6116E+01 3.8078E+00 1.8520E+01 O6 4129 15.999400 -0.847600 7.7258E+00 1.8581E+01 1.2542E+01 H1 4130 1.008000 0.423800 7.5096E+00 1.9034E+01 1.1678E+01 H2 4131 1.008000 0.423800 6.8785E+00 1.8375E+01 1.3032E+01 O6 4132 15.999400 -0.847600 4.3535E+00 -1.7647E+01 -1.4209E+00 H1 4133 1.008000 0.423800 4.3224E+00 -1.8424E+01 -7.9164E-01 H2 4134 1.008000 0.423800 3.4454E+00 -1.7499E+01 -1.8124E+00 O6 4135 15.999400 -0.847600 -1.5845E+00 -1.2785E+01 -3.5815E+00 H1 4136 1.008000 0.423800 -7.8844E-01 -1.2724E+01 -4.1836E+00 H2 4137 1.008000 0.423800 -2.4197E+00 -1.2778E+01 -4.1314E+00 O6 4138 15.999400 -0.847600 1.6311E+01 7.1313E+00 1.0516E+01 H1 4139 1.008000 0.423800 1.6633E+01 7.7373E+00 1.1244E+01 H2 4140 1.008000 0.423800 1.5348E+01 7.3209E+00 1.0327E+01 O6 4141 15.999400 -0.847600 -2.4223E+00 3.5549E+00 -8.9184E+00 H1 4142 1.008000 0.423800 -2.9826E+00 3.3020E+00 -8.1297E+00 H2 4143 1.008000 0.423800 -2.4436E+00 4.5475E+00 -9.0379E+00 O6 4144 15.999400 -0.847600 -7.5813E+00 -3.3564E+00 8.4526E+00 H1 4145 1.008000 0.423800 -7.1832E+00 -2.5932E+00 8.9617E+00 H2 4146 1.008000 0.423800 -8.4362E+00 -3.0620E+00 8.0253E+00 O6 4147 15.999400 -0.847600 -1.2039E+01 1.2897E+01 1.4128E+01 H1 4148 1.008000 0.423800 -1.1529E+01 1.2131E+01 1.4519E+01 H2 4149 1.008000 0.423800 -1.1402E+01 1.3544E+01 1.3709E+01 O6 4150 15.999400 -0.847600 1.5510E+01 -3.1761E+00 4.8208E+00 H1 4151 1.008000 0.423800 1.5044E+01 -3.8547E+00 4.2527E+00 H2 4152 1.008000 0.423800 1.5039E+01 -2.2973E+00 4.7437E+00 O6 4153 15.999400 -0.847600 -1.1099E-01 4.0723E+00 -5.9706E-01 H1 4154 1.008000 0.423800 3.6415E-01 4.6012E+00 -1.3003E+00 H2 4155 1.008000 0.423800 -1.0311E+00 3.8448E+00 -9.1591E-01 O6 4156 15.999400 -0.847600 1.1277E+01 9.1924E-01 -2.9136E+00 H1 4157 1.008000 0.423800 1.0624E+01 8.1313E-01 -3.6635E+00 H2 4158 1.008000 0.423800 1.1082E+01 2.4215E-01 -2.2039E+00 O6 4159 15.999400 -0.847600 1.2469E+01 -1.3947E+01 -1.4103E+01 H1 4160 1.008000 0.423800 1.2706E+01 -1.3009E+01 -1.3851E+01 H2 4161 1.008000 0.423800 1.2815E+01 -1.4143E+01 -1.5020E+01 O6 4162 15.999400 -0.847600 -1.4877E+01 -4.0826E+00 -1.2207E+01 H1 4163 1.008000 0.423800 -1.5685E+01 -3.9213E+00 -1.1639E+01 H2 4164 1.008000 0.423800 -1.5147E+01 -4.1106E+00 -1.3169E+01 O6 4165 15.999400 -0.847600 -4.0704E+00 8.8406E+00 -7.8605E-01 H1 4166 1.008000 0.423800 -3.9414E+00 8.7943E+00 2.0454E-01 H2 4167 1.008000 0.423800 -3.4561E+00 8.1901E+00 -1.2328E+00 O6 4168 15.999400 -0.847600 1.8831E+01 -3.9120E+00 1.5318E+01 H1 4169 1.008000 0.423800 1.8349E+01 -3.4174E+00 1.4595E+01 H2 4170 1.008000 0.423800 1.8262E+01 -4.6682E+00 1.5641E+01 O6 4171 15.999400 -0.847600 1.6595E+01 1.7857E+01 -1.3298E+01 H1 4172 1.008000 0.423800 1.5666E+01 1.7713E+01 -1.2956E+01 H2 4173 1.008000 0.423800 1.6715E+01 1.7357E+01 -1.4155E+01 O6 4174 15.999400 -0.847600 2.9601E+00 -2.6569E+00 -6.8455E+00 H1 4175 1.008000 0.423800 2.0928E+00 -2.5244E+00 -6.3657E+00 H2 4176 1.008000 0.423800 3.6315E+00 -1.9967E+00 -6.5088E+00 O6 4177 15.999400 -0.847600 4.6635E+00 1.8876E+01 -3.0289E+00 H1 4178 1.008000 0.423800 3.8877E+00 1.9372E+01 -3.4187E+00 H2 4179 1.008000 0.423800 4.5701E+00 1.8840E+01 -2.0339E+00 O6 4180 15.999400 -0.847600 -1.8974E+00 -9.1093E+00 1.7391E+01 H1 4181 1.008000 0.423800 -1.9434E+00 -8.4639E+00 1.6629E+01 H2 4182 1.008000 0.423800 -1.2485E+00 -8.7730E+00 1.8074E+01 O6 4183 15.999400 -0.847600 1.2704E+01 -1.2246E+01 1.7712E+01 H1 4184 1.008000 0.423800 1.2126E+01 -1.3060E+01 1.7643E+01 H2 4185 1.008000 0.423800 1.3665E+01 -1.2520E+01 1.7719E+01 O6 4186 15.999400 -0.847600 1.3547E+01 -1.8651E+01 1.5651E+01 H1 4187 1.008000 0.423800 1.2555E+01 -1.8738E+01 1.5557E+01 H2 4188 1.008000 0.423800 1.3974E+01 -1.8716E+01 1.4749E+01 O6 4189 15.999400 -0.847600 1.7291E+01 1.8626E+01 3.6237E+00 H1 4190 1.008000 0.423800 1.7854E+01 1.9415E+01 3.8698E+00 H2 4191 1.008000 0.423800 1.7763E+01 1.7785E+01 3.8872E+00 O6 4192 15.999400 -0.847600 7.2816E+00 1.9483E+01 4.2002E-01 H1 4193 1.008000 0.423800 7.3425E+00 1.8494E+01 2.8534E-01 H2 4194 1.008000 0.423800 7.9679E+00 -1.9326E+01 1.0878E+00 O6 4195 15.999400 -0.847600 -1.7808E+01 -9.8638E+00 1.2595E+00 H1 4196 1.008000 0.423800 -1.7524E+01 -8.9481E+00 1.5445E+00 H2 4197 1.008000 0.423800 -1.7794E+01 -9.9214E+00 2.6129E-01 O6 4198 15.999400 -0.847600 -1.7974E+01 1.6378E+01 -5.6580E+00 H1 4199 1.008000 0.423800 -1.7290E+01 1.6795E+01 -5.0585E+00 H2 4200 1.008000 0.423800 -1.8832E+01 1.6266E+01 -5.1577E+00 O6 4201 15.999400 -0.847600 -5.7779E+00 -1.1508E+00 -1.1409E+01 H1 4202 1.008000 0.423800 -5.7006E+00 -1.4690E+00 -1.0464E+01 H2 4203 1.008000 0.423800 -6.5840E+00 -1.5623E+00 -1.1834E+01 O6 4204 15.999400 -0.847600 -7.6538E-01 -1.1895E+01 1.6878E+01 H1 4205 1.008000 0.423800 -1.4911E+00 -1.1699E+01 1.6218E+01 H2 4206 1.008000 0.423800 -6.7236E-02 -1.1181E+01 1.6827E+01 O6 4207 15.999400 -0.847600 -4.9918E+00 1.8605E+01 1.5742E+01 H1 4208 1.008000 0.423800 -4.9762E+00 1.9468E+01 1.5235E+01 H2 4209 1.008000 0.423800 -5.8822E+00 1.8494E+01 1.6183E+01 O6 4210 15.999400 -0.847600 1.8072E+01 -1.8979E+01 -3.8397E+00 H1 4211 1.008000 0.423800 1.8910E+01 -1.8744E+01 -3.3477E+00 H2 4212 1.008000 0.423800 1.7715E+01 1.9250E+01 -3.4955E+00 O6 4213 15.999400 -0.847600 -1.3943E+01 -4.8476E+00 1.1106E+01 H1 4214 1.008000 0.423800 -1.4190E+01 -5.5594E+00 1.1764E+01 H2 4215 1.008000 0.423800 -1.3806E+01 -3.9819E+00 1.1587E+01 O6 4216 15.999400 -0.847600 1.2108E+01 -7.4791E+00 -1.0611E+01 H1 4217 1.008000 0.423800 1.1497E+01 -8.1669E+00 -1.1002E+01 H2 4218 1.008000 0.423800 1.1958E+01 -6.6016E+00 -1.1066E+01 O6 4219 15.999400 -0.847600 -1.7324E+00 -4.0806E+00 1.2495E+01 H1 4220 1.008000 0.423800 -2.2281E+00 -4.8214E+00 1.2042E+01 H2 4221 1.008000 0.423800 -1.7012E+00 -4.2541E+00 1.3480E+01 O6 4222 15.999400 -0.847600 1.1186E+01 6.5658E+00 4.1003E+00 H1 4223 1.008000 0.423800 1.0640E+01 6.1256E+00 3.3875E+00 H2 4224 1.008000 0.423800 1.1388E+01 7.5077E+00 3.8316E+00 O6 4225 15.999400 -0.847600 -4.6868E+00 1.8685E+01 -1.4220E+01 H1 4226 1.008000 0.423800 -5.0708E+00 1.7806E+01 -1.4502E+01 H2 4227 1.008000 0.423800 -3.7069E+00 1.8581E+01 -1.4050E+01 O6 4228 15.999400 -0.847600 2.3325E+00 -1.0149E+01 -1.5293E+01 H1 4229 1.008000 0.423800 1.5298E+00 -1.0500E+01 -1.4811E+01 H2 4230 1.008000 0.423800 3.0289E+00 -1.0865E+01 -1.5345E+01 O6 4231 15.999400 -0.847600 1.2908E+01 -4.9273E+00 -1.1270E+01 H1 4232 1.008000 0.423800 1.3609E+01 -4.5559E+00 -1.1879E+01 H2 4233 1.008000 0.423800 1.3339E+01 -5.2810E+00 -1.0441E+01 O6 4234 15.999400 -0.847600 7.1794E+00 -1.8623E+01 -2.2267E+00 H1 4235 1.008000 0.423800 7.2838E+00 -1.9185E+01 -1.4058E+00 H2 4236 1.008000 0.423800 6.2201E+00 -1.8621E+01 -2.5090E+00 O6 4237 15.999400 -0.847600 7.2667E+00 -2.5466E+00 -9.1956E-01 H1 4238 1.008000 0.423800 6.3425E+00 -2.5396E+00 -1.3013E+00 H2 4239 1.008000 0.423800 7.8412E+00 -3.1710E+00 -1.4488E+00 O6 4240 15.999400 -0.847600 -1.0147E+01 -1.4953E+01 1.1619E+01 H1 4241 1.008000 0.423800 -1.0166E+01 -1.5478E+01 1.2470E+01 H2 4242 1.008000 0.423800 -1.0904E+01 -1.5242E+01 1.1032E+01 O6 4243 15.999400 -0.847600 -1.8490E+01 -4.1499E+00 -6.2562E+00 H1 4244 1.008000 0.423800 -1.9410E+01 -3.8374E+00 -6.4937E+00 H2 4245 1.008000 0.423800 -1.7983E+01 -4.3595E+00 -7.0923E+00 O6 4246 15.999400 -0.847600 -1.8905E+01 4.2358E+00 -9.9252E-01 H1 4247 1.008000 0.423800 -1.8769E+01 3.2728E+00 -7.5975E-01 H2 4248 1.008000 0.423800 -1.8036E+01 4.7240E+00 -9.1339E-01 O6 4249 15.999400 -0.847600 -1.0786E+01 -6.8495E+00 2.0168E+00 H1 4250 1.008000 0.423800 -1.0581E+01 -7.7893E+00 1.7432E+00 H2 4251 1.008000 0.423800 -1.1664E+01 -6.8253E+00 2.4950E+00 O6 4252 15.999400 -0.847600 1.3317E+01 1.1581E+00 9.0624E+00 H1 4253 1.008000 0.423800 1.2790E+01 6.7901E-01 9.7637E+00 H2 4254 1.008000 0.423800 1.2843E+01 1.0918E+00 8.1847E+00 O6 4255 15.999400 -0.847600 -1.2131E+01 -1.5195E+01 -2.6942E+00 H1 4256 1.008000 0.423800 -1.2175E+01 -1.4250E+01 -2.3696E+00 H2 4257 1.008000 0.423800 -1.1175E+01 -1.5453E+01 -2.8398E+00 O6 4258 15.999400 -0.847600 1.0806E+01 7.9343E+00 -4.7229E+00 H1 4259 1.008000 0.423800 1.0370E+01 7.0717E+00 -4.9793E+00 H2 4260 1.008000 0.423800 1.1082E+01 8.4262E+00 -5.5485E+00 O6 4261 15.999400 -0.847600 -7.7763E-01 -7.8980E+00 -8.8063E+00 H1 4262 1.008000 0.423800 -5.7853E-02 -8.3339E+00 -8.2659E+00 H2 4263 1.008000 0.423800 -3.7358E-01 -7.4652E+00 -9.6121E+00 O6 4264 15.999400 -0.847600 -9.5939E+00 1.8357E+01 -1.5419E+01 H1 4265 1.008000 0.423800 -9.3605E+00 1.9287E+01 -1.5135E+01 H2 4266 1.008000 0.423800 -8.7588E+00 1.7863E+01 -1.5660E+01 O6 4267 15.999400 -0.847600 -1.4274E+00 2.7221E-01 1.0954E+01 H1 4268 1.008000 0.423800 -2.1494E+00 9.5366E-01 1.1075E+01 H2 4269 1.008000 0.423800 -1.6137E+00 -5.1742E-01 1.1539E+01 O6 4270 15.999400 -0.847600 1.4042E+01 -1.5045E+01 -1.7672E+01 H1 4271 1.008000 0.423800 1.4558E+01 -1.4640E+01 -1.6918E+01 H2 4272 1.008000 0.423800 1.3083E+01 -1.5143E+01 -1.7405E+01 O6 4273 15.999400 -0.847600 -1.3083E+01 8.8110E+00 3.1440E+00 H1 4274 1.008000 0.423800 -1.2958E+01 8.1990E+00 3.9249E+00 H2 4275 1.008000 0.423800 -1.3982E+01 9.2444E+00 3.2010E+00 O6 4276 15.999400 -0.847600 1.6294E+01 6.0265E+00 -1.3126E+01 H1 4277 1.008000 0.423800 1.5470E+01 6.3492E+00 -1.2659E+01 H2 4278 1.008000 0.423800 1.6999E+01 5.8157E+00 -1.2449E+01 O6 4279 15.999400 -0.847600 2.5881E+00 -1.8816E+01 -3.9348E+00 H1 4280 1.008000 0.423800 2.1443E+00 -1.8026E+01 -3.5109E+00 H2 4281 1.008000 0.423800 1.9342E+00 -1.9288E+01 -4.5258E+00 O6 4282 15.999400 -0.847600 -1.3420E+01 -1.7693E+01 -2.2406E+00 H1 4283 1.008000 0.423800 -1.2850E+01 -1.8297E+01 -1.6836E+00 H2 4284 1.008000 0.423800 -1.3244E+01 -1.6742E+01 -1.9879E+00 O6 4285 15.999400 -0.847600 1.0362E-01 1.5866E+01 1.9392E+01 H1 4286 1.008000 0.423800 -1.1500E-01 1.4996E+01 -1.9264E+01 H2 4287 1.008000 0.423800 -1.8004E-01 1.6621E+01 -1.9114E+01 O6 4288 15.999400 -0.847600 -8.3971E+00 1.2067E+01 9.0425E+00 H1 4289 1.008000 0.423800 -9.1789E+00 1.2317E+01 8.4712E+00 H2 4290 1.008000 0.423800 -7.5662E+00 1.2480E+01 8.6693E+00 O6 4291 15.999400 -0.847600 -4.4780E+00 -1.9463E+01 -1.9473E+00 H1 4292 1.008000 0.423800 -4.8000E+00 1.9338E+01 -1.0483E+00 H2 4293 1.008000 0.423800 -3.5263E+00 1.9353E+01 -2.0700E+00 O6 4294 15.999400 -0.847600 -1.3777E+01 -1.4900E+01 1.4196E+01 H1 4295 1.008000 0.423800 -1.4699E+01 -1.4516E+01 1.4142E+01 H2 4296 1.008000 0.423800 -1.3676E+01 -1.5622E+01 1.3512E+01 O6 4297 15.999400 -0.847600 2.1322E+00 -5.4916E+00 -6.1411E-01 H1 4298 1.008000 0.423800 2.7211E+00 -6.2297E+00 -9.4323E-01 H2 4299 1.008000 0.423800 1.8304E+00 -4.9355E+00 -1.3886E+00 O6 4300 15.999400 -0.847600 1.6888E+01 -1.2893E+01 -1.7780E+01 H1 4301 1.008000 0.423800 1.6870E+01 -1.3672E+01 -1.7153E+01 H2 4302 1.008000 0.423800 1.6087E+01 -1.2317E+01 -1.7618E+01 O6 4303 15.999400 -0.847600 1.2675E+01 -7.5940E+00 5.4793E+00 H1 4304 1.008000 0.423800 1.1993E+01 -8.0881E+00 6.0177E+00 H2 4305 1.008000 0.423800 1.2471E+01 -7.6980E+00 4.5059E+00 O6 4306 15.999400 -0.847600 -1.9219E+01 4.7634E+00 1.6431E+01 H1 4307 1.008000 0.423800 -1.8489E+01 5.3387E+00 1.6062E+01 H2 4308 1.008000 0.423800 -1.8947E+01 3.8028E+00 1.6375E+01 O6 4309 15.999400 -0.847600 -3.0346E+00 -7.1305E+00 -5.5694E+00 H1 4310 1.008000 0.423800 -3.3948E+00 -6.4800E+00 -4.9007E+00 H2 4311 1.008000 0.423800 -3.7868E+00 -7.4951E+00 -6.1183E+00 O6 4312 15.999400 -0.847600 -1.3715E+01 4.2103E+00 1.2307E+01 H1 4313 1.008000 0.423800 -1.3708E+01 4.8443E+00 1.1534E+01 H2 4314 1.008000 0.423800 -1.4585E+01 3.7174E+00 1.2326E+01 O6 4315 15.999400 -0.847600 -1.7719E+00 -8.9240E+00 5.2737E+00 H1 4316 1.008000 0.423800 -2.7044E+00 -9.2833E+00 5.3096E+00 H2 4317 1.008000 0.423800 -1.7477E+00 -8.1184E+00 4.6816E+00 O6 4318 15.999400 -0.847600 -1.5873E+01 1.7886E+00 -6.9320E+00 H1 4319 1.008000 0.423800 -1.4964E+01 1.3700E+00 -6.9431E+00 H2 4320 1.008000 0.423800 -1.5785E+01 2.7694E+00 -6.7578E+00 O6 4321 15.999400 -0.847600 -5.6559E+00 1.1034E+01 1.2399E+01 H1 4322 1.008000 0.423800 -5.2888E+00 1.1830E+01 1.2881E+01 H2 4323 1.008000 0.423800 -5.0545E+00 1.0801E+01 1.1635E+01 O6 4324 15.999400 -0.847600 2.6854E+00 -1.7756E+01 -1.4305E+01 H1 4325 1.008000 0.423800 3.3254E+00 -1.7008E+01 -1.4478E+01 H2 4326 1.008000 0.423800 3.1733E+00 -1.8521E+01 -1.3885E+01 O6 4327 15.999400 -0.847600 -2.4082E+00 -8.1546E+00 -9.2606E-01 H1 4328 1.008000 0.423800 -1.9031E+00 -8.9925E+00 -1.1333E+00 H2 4329 1.008000 0.423800 -3.3266E+00 -8.3893E+00 -6.0746E-01 O6 4330 15.999400 -0.847600 -1.7166E+01 2.1731E+00 -1.5965E+01 H1 4331 1.008000 0.423800 -1.8105E+01 2.4913E+00 -1.6089E+01 H2 4332 1.008000 0.423800 -1.6912E+01 1.5768E+00 -1.6726E+01 O6 4333 15.999400 -0.847600 -1.5060E+01 1.7526E+01 -1.0534E+01 H1 4334 1.008000 0.423800 -1.5642E+01 1.8270E+01 -1.0864E+01 H2 4335 1.008000 0.423800 -1.5036E+01 1.7540E+01 -9.5348E+00 O6 4336 15.999400 -0.847600 -1.3308E+01 1.4558E+01 1.5968E+01 H1 4337 1.008000 0.423800 -1.2765E+01 1.3919E+01 1.5424E+01 H2 4338 1.008000 0.423800 -1.3226E+01 1.5477E+01 1.5584E+01 O6 4339 15.999400 -0.847600 2.6818E+00 1.0942E+01 -3.4657E+00 H1 4340 1.008000 0.423800 2.6013E+00 1.1281E+01 -2.5283E+00 H2 4341 1.008000 0.423800 3.1397E+00 1.0053E+01 -3.4606E+00 O6 4342 15.999400 -0.847600 4.0292E+00 1.1378E+01 1.7604E+01 H1 4343 1.008000 0.423800 3.8523E+00 1.2332E+01 1.7848E+01 H2 4344 1.008000 0.423800 3.6442E+00 1.1188E+01 1.6701E+01 O6 4345 15.999400 -0.847600 -1.4941E+01 1.4230E+01 -3.2900E+00 H1 4346 1.008000 0.423800 -1.4725E+01 1.5198E+01 -3.1612E+00 H2 4347 1.008000 0.423800 -1.5465E+01 1.3898E+01 -2.5053E+00 O6 4348 15.999400 -0.847600 7.4666E+00 -1.2998E+01 -5.7783E+00 H1 4349 1.008000 0.423800 8.4138E+00 -1.2779E+01 -5.5439E+00 H2 4350 1.008000 0.423800 6.8488E+00 -1.2493E+01 -5.1752E+00 O6 4351 15.999400 -0.847600 -7.8448E+00 8.8449E+00 1.5591E+00 H1 4352 1.008000 0.423800 -7.6477E+00 8.8362E+00 5.7874E-01 H2 4353 1.008000 0.423800 -7.3875E+00 8.0715E+00 1.9979E+00 O6 4354 15.999400 -0.847600 1.7655E+00 -1.4406E+01 -1.5632E+01 H1 4355 1.008000 0.423800 2.4545E+00 -1.4082E+01 -1.4984E+01 H2 4356 1.008000 0.423800 1.3297E+00 -1.5231E+01 -1.5271E+01 O6 4357 15.999400 -0.847600 1.5180E+01 -1.4826E+01 -1.1322E+01 H1 4358 1.008000 0.423800 1.4959E+01 -1.5798E+01 -1.1404E+01 H2 4359 1.008000 0.423800 1.4418E+01 -1.4346E+01 -1.0887E+01 O6 4360 15.999400 -0.847600 6.5606E+00 4.4520E+00 -8.3111E+00 H1 4361 1.008000 0.423800 6.1901E+00 5.3645E+00 -8.1375E+00 H2 4362 1.008000 0.423800 5.8236E+00 3.7780E+00 -8.2606E+00 O6 4363 15.999400 -0.847600 1.7202E+01 1.0396E+01 8.5505E+00 H1 4364 1.008000 0.423800 1.7601E+01 1.0374E+01 9.4673E+00 H2 4365 1.008000 0.423800 1.6573E+01 1.1170E+01 8.4790E+00 O6 4366 15.999400 -0.847600 1.1809E+01 -4.2143E+00 -1.9354E+01 H1 4367 1.008000 0.423800 1.2237E+01 -4.0085E+00 1.8864E+01 H2 4368 1.008000 0.423800 1.1724E+01 -5.2050E+00 -1.9248E+01 O6 4369 15.999400 -0.847600 -7.9008E+00 -8.7840E+00 9.3384E+00 H1 4370 1.008000 0.423800 -7.8911E+00 -8.1707E+00 1.0128E+01 H2 4371 1.008000 0.423800 -8.4530E+00 -9.5905E+00 9.5495E+00 O6 4372 15.999400 -0.847600 -3.2316E+00 1.8199E+00 -1.8442E+01 H1 4373 1.008000 0.423800 -2.3256E+00 1.5560E+00 -1.8111E+01 H2 4374 1.008000 0.423800 -3.9207E+00 1.5695E+00 -1.7762E+01 O6 4375 15.999400 -0.847600 -6.7646E+00 5.9464E+00 2.4484E+00 H1 4376 1.008000 0.423800 -6.8795E+00 5.4331E+00 1.5979E+00 H2 4377 1.008000 0.423800 -5.7898E+00 6.0687E+00 2.6347E+00 O6 4378 15.999400 -0.847600 -3.4700E+00 8.9704E+00 -6.3141E+00 H1 4379 1.008000 0.423800 -3.8821E+00 9.2633E+00 -7.1768E+00 H2 4380 1.008000 0.423800 -4.1362E+00 9.0716E+00 -5.5752E+00 O6 4381 15.999400 -0.847600 1.6336E+01 -9.0613E+00 4.2683E+00 H1 4382 1.008000 0.423800 1.7336E+01 -9.0821E+00 4.2526E+00 H2 4383 1.008000 0.423800 1.6027E+01 -8.1826E+00 4.6320E+00 O6 4384 15.999400 -0.847600 -1.9515E+01 -1.5967E+01 -3.4995E+00 H1 4385 1.008000 0.423800 1.8828E+01 -1.5828E+01 -2.8587E+00 H2 4386 1.008000 0.423800 -1.9066E+01 -1.6838E+01 -3.3022E+00 O6 4387 15.999400 -0.847600 -1.7432E+00 -1.1040E+01 -1.1900E+01 H1 4388 1.008000 0.423800 -1.4023E+00 -1.1978E+01 -1.1952E+01 H2 4389 1.008000 0.423800 -2.5300E+00 -1.1004E+01 -1.1284E+01 O6 4390 15.999400 -0.847600 1.1168E+01 1.2282E+01 -1.3038E+01 H1 4391 1.008000 0.423800 1.0692E+01 1.2261E+01 -1.2158E+01 H2 4392 1.008000 0.423800 1.1253E+01 1.3230E+01 -1.3347E+01 O6 4393 15.999400 -0.847600 4.3641E+00 9.4259E+00 3.7605E+00 H1 4394 1.008000 0.423800 4.3855E+00 1.0187E+01 4.4090E+00 H2 4395 1.008000 0.423800 4.7944E+00 9.7069E+00 2.9027E+00 O6 4396 15.999400 -0.847600 2.8858E+00 -1.1871E+01 1.3202E+01 H1 4397 1.008000 0.423800 3.7191E+00 -1.2295E+01 1.3558E+01 H2 4398 1.008000 0.423800 2.7651E+00 -1.2127E+01 1.2243E+01 O6 4399 15.999400 -0.847600 -1.8491E+01 1.5365E+01 -1.0724E+01 H1 4400 1.008000 0.423800 -1.9037E+01 1.5731E+01 -1.1478E+01 H2 4401 1.008000 0.423800 -1.7774E+01 1.6019E+01 -1.0483E+01 O6 4402 15.999400 -0.847600 8.7665E+00 -6.5191E+00 6.1600E+00 H1 4403 1.008000 0.423800 8.9369E+00 -6.3812E+00 5.1843E+00 H2 4404 1.008000 0.423800 9.6269E+00 -6.7358E+00 6.6212E+00 O6 4405 15.999400 -0.847600 -1.1090E+01 -3.2877E+00 3.1103E+00 H1 4406 1.008000 0.423800 -1.1680E+01 -3.2087E+00 2.3062E+00 H2 4407 1.008000 0.423800 -1.1506E+01 -3.9165E+00 3.7675E+00 O6 4408 15.999400 -0.847600 9.4763E+00 -1.3851E+01 -9.2064E+00 H1 4409 1.008000 0.423800 9.9636E+00 -1.3870E+01 -8.3333E+00 H2 4410 1.008000 0.423800 9.8402E+00 -1.4563E+01 -9.8067E+00 O6 4411 15.999400 -0.847600 -2.7597E+00 -1.0064E+01 -8.8958E+00 H1 4412 1.008000 0.423800 -2.0745E+00 -9.3366E+00 -8.9224E+00 H2 4413 1.008000 0.423800 -2.3228E+00 -1.0941E+01 -9.0973E+00 O6 4414 15.999400 -0.847600 3.1940E+00 9.1945E+00 -1.1867E+01 H1 4415 1.008000 0.423800 2.5999E+00 9.9031E+00 -1.1487E+01 H2 4416 1.008000 0.423800 4.1267E+00 9.3256E+00 -1.1532E+01 O6 4417 15.999400 -0.847600 -1.2019E+01 -7.8151E+00 1.8104E+01 H1 4418 1.008000 0.423800 -1.1806E+01 -7.1806E+00 1.8847E+01 H2 4419 1.008000 0.423800 -1.2151E+01 -8.7333E+00 1.8477E+01 O6 4420 15.999400 -0.847600 -1.0185E+01 1.8508E+01 5.0507E+00 H1 4421 1.008000 0.423800 -1.0632E+01 1.9376E+01 4.8357E+00 H2 4422 1.008000 0.423800 -1.0684E+01 1.7760E+01 4.6129E+00 O6 4423 15.999400 -0.847600 3.2781E+00 7.4283E-01 -3.3617E+00 H1 4424 1.008000 0.423800 4.1847E+00 9.2527E-01 -3.7425E+00 H2 4425 1.008000 0.423800 3.0034E+00 1.5049E+00 -2.7754E+00 O6 4426 15.999400 -0.847600 5.5852E+00 7.5677E+00 5.6473E-01 H1 4427 1.008000 0.423800 4.6546E+00 7.3010E+00 8.1552E-01 H2 4428 1.008000 0.423800 6.2258E+00 7.2308E+00 1.2547E+00 O6 4429 15.999400 -0.847600 -2.3853E+00 -5.3012E+00 -1.6273E+01 H1 4430 1.008000 0.423800 -1.8739E+00 -5.2867E+00 -1.5414E+01 H2 4431 1.008000 0.423800 -2.2479E+00 -6.1811E+00 -1.6728E+01 O6 4432 15.999400 -0.847600 -1.4076E+01 -1.4166E+01 -1.5457E+01 H1 4433 1.008000 0.423800 -1.4729E+01 -1.3460E+01 -1.5181E+01 H2 4434 1.008000 0.423800 -1.4473E+01 -1.4716E+01 -1.6191E+01 O6 4435 15.999400 -0.847600 -5.1965E+00 -4.4774E+00 -9.9328E+00 H1 4436 1.008000 0.423800 -4.3350E+00 -4.9567E+00 -9.7650E+00 H2 4437 1.008000 0.423800 -5.4337E+00 -3.9280E+00 -9.1317E+00 O6 4438 15.999400 -0.847600 -1.5673E+01 1.0145E+01 1.5463E+01 H1 4439 1.008000 0.423800 -1.6523E+01 9.9640E+00 1.5957E+01 H2 4440 1.008000 0.423800 -1.5438E+01 1.1114E+01 1.5548E+01 O6 4441 15.999400 -0.847600 1.9187E+01 1.3470E+01 -1.4167E+01 H1 4442 1.008000 0.423800 1.8438E+01 1.3403E+01 -1.4827E+01 H2 4443 1.008000 0.423800 1.9513E+01 1.2552E+01 -1.3940E+01 O6 4444 15.999400 -0.847600 -2.6236E+00 1.0704E+01 -1.8686E+01 H1 4445 1.008000 0.423800 -2.0105E+00 1.1135E+01 -1.8024E+01 H2 4446 1.008000 0.423800 -3.1494E+00 9.9833E+00 -1.8234E+01 O6 4447 15.999400 -0.847600 8.1184E+00 -6.8836E+00 -1.6527E+01 H1 4448 1.008000 0.423800 7.8354E+00 -6.1717E+00 -1.7169E+01 H2 4449 1.008000 0.423800 8.8701E+00 -6.5431E+00 -1.5962E+01 O6 4450 15.999400 -0.847600 5.5736E+00 -1.8573E+01 8.3106E+00 H1 4451 1.008000 0.423800 5.9912E+00 -1.8954E+01 9.1357E+00 H2 4452 1.008000 0.423800 5.4963E+00 -1.7581E+01 8.4038E+00 O6 4453 15.999400 -0.847600 -4.3494E+00 -1.2089E+01 9.2708E+00 H1 4454 1.008000 0.423800 -5.0800E+00 -1.2424E+01 9.8659E+00 H2 4455 1.008000 0.423800 -3.7426E+00 -1.2846E+01 9.0297E+00 O6 4456 15.999400 -0.847600 6.8418E+00 5.9762E+00 1.8179E+01 H1 4457 1.008000 0.423800 6.1749E+00 6.2553E+00 1.7488E+01 H2 4458 1.008000 0.423800 7.7305E+00 5.8298E+00 1.7745E+01 O6 4459 15.999400 -0.847600 -1.1875E+01 -1.0298E+01 -1.8521E+01 H1 4460 1.008000 0.423800 -1.1237E+01 -9.7890E+00 -1.7942E+01 H2 4461 1.008000 0.423800 -1.1365E+01 -1.0790E+01 -1.9226E+01 O6 4462 15.999400 -0.847600 -1.6346E+01 5.2938E+00 -1.1887E+00 H1 4463 1.008000 0.423800 -1.5985E+01 5.9886E+00 -5.6709E-01 H2 4464 1.008000 0.423800 -1.5637E+01 4.6155E+00 -1.3797E+00 O6 4465 15.999400 -0.847600 1.2994E+01 1.2718E+01 4.0526E+00 H1 4466 1.008000 0.423800 1.2442E+01 1.2303E+01 4.7757E+00 H2 4467 1.008000 0.423800 1.2942E+01 1.2154E+01 3.2286E+00 O6 4468 15.999400 -0.847600 2.8987E+00 -1.0732E+01 1.9518E+01 H1 4469 1.008000 0.423800 3.2129E+00 -9.7891E+00 -1.9468E+01 H2 4470 1.008000 0.423800 3.0920E+00 -1.1040E+01 1.8587E+01 O6 4471 15.999400 -0.847600 3.6743E+00 5.2148E+00 -1.0407E+01 H1 4472 1.008000 0.423800 3.1672E+00 5.2174E+00 -9.5455E+00 H2 4473 1.008000 0.423800 3.1200E+00 4.7828E+00 -1.1119E+01 O6 4474 15.999400 -0.847600 1.8297E+01 -5.8039E+00 -1.0707E+01 H1 4475 1.008000 0.423800 1.8800E+01 -5.4540E+00 -1.1497E+01 H2 4476 1.008000 0.423800 1.8931E+01 -6.2661E+00 -1.0086E+01 O6 4477 15.999400 -0.847600 8.8130E+00 -1.8017E+01 -9.5814E+00 H1 4478 1.008000 0.423800 8.7210E+00 -1.7413E+01 -1.0373E+01 H2 4479 1.008000 0.423800 9.5848E+00 -1.7716E+01 -9.0211E+00 O6 4480 15.999400 -0.847600 3.0674E+00 -4.9170E+00 -4.7860E+00 H1 4481 1.008000 0.423800 3.8306E+00 -4.3137E+00 -4.5548E+00 H2 4482 1.008000 0.423800 3.3003E+00 -5.4531E+00 -5.5974E+00 O6 4483 15.999400 -0.847600 1.1547E+01 9.8244E-01 -1.5523E+01 H1 4484 1.008000 0.423800 1.1739E+01 1.7226E+00 -1.6167E+01 H2 4485 1.008000 0.423800 1.2180E+01 1.0393E+00 -1.4751E+01 O6 4486 15.999400 -0.847600 -5.1426E+00 -1.5363E+01 8.1725E+00 H1 4487 1.008000 0.423800 -5.7665E+00 -1.5653E+01 8.8985E+00 H2 4488 1.008000 0.423800 -5.0174E+00 -1.6113E+01 7.5224E+00 O6 4489 15.999400 -0.847600 1.6695E+01 6.2649E+00 -8.7573E+00 H1 4490 1.008000 0.423800 1.7463E+01 6.9031E+00 -8.6984E+00 H2 4491 1.008000 0.423800 1.5954E+01 6.6827E+00 -9.2830E+00 O6 4492 15.999400 -0.847600 -1.3995E+01 -1.6449E+01 1.1892E+01 H1 4493 1.008000 0.423800 -1.4131E+01 -1.7326E+01 1.2354E+01 H2 4494 1.008000 0.423800 -1.4846E+01 -1.6173E+01 1.1445E+01 O6 4495 15.999400 -0.847600 1.4885E+01 1.7012E+01 -7.9248E+00 H1 4496 1.008000 0.423800 1.5686E+01 1.7058E+01 -7.3288E+00 H2 4497 1.008000 0.423800 1.5179E+01 1.6863E+01 -8.8687E+00 O6 4498 15.999400 -0.847600 -1.0360E+01 1.5659E+01 -2.2900E+00 H1 4499 1.008000 0.423800 -1.0280E+01 1.5946E+01 -1.3353E+00 H2 4500 1.008000 0.423800 -1.0379E+01 1.6467E+01 -2.8798E+00 O6 4501 15.999400 -0.847600 1.8886E+00 -7.2822E+00 -1.1885E+01 H1 4502 1.008000 0.423800 9.7216E-01 -7.6646E+00 -1.2003E+01 H2 4503 1.008000 0.423800 2.3418E+00 -7.2230E+00 -1.2775E+01 O6 4504 15.999400 -0.847600 1.8453E+01 7.5304E+00 -1.9369E+01 H1 4505 1.008000 0.423800 1.7494E+01 7.5938E+00 1.9452E+01 H2 4506 1.008000 0.423800 1.8549E+01 7.8519E+00 -1.8427E+01 O6 4507 15.999400 -0.847600 -7.9731E+00 -1.3103E+00 -1.5521E+01 H1 4508 1.008000 0.423800 -8.8208E+00 -1.5039E+00 -1.6015E+01 H2 4509 1.008000 0.423800 -7.6956E+00 -3.6511E-01 -1.5693E+01 O6 4510 15.999400 -0.847600 -5.9952E+00 -1.6620E+01 -4.7878E+00 H1 4511 1.008000 0.423800 -6.0648E+00 -1.5686E+01 -5.1362E+00 H2 4512 1.008000 0.423800 -5.7031E+00 -1.7230E+01 -5.5248E+00 O6 4513 15.999400 -0.847600 -1.3606E+01 -7.9315E+00 -1.8398E+01 H1 4514 1.008000 0.423800 -1.3352E+01 -7.6592E+00 -1.7470E+01 H2 4515 1.008000 0.423800 -1.4361E+01 -8.5859E+00 -1.8359E+01 O6 4516 15.999400 -0.847600 -1.6159E+01 -2.7415E+00 5.3715E+00 H1 4517 1.008000 0.423800 -1.5798E+01 -3.6355E+00 5.6371E+00 H2 4518 1.008000 0.423800 -1.5499E+01 -2.2780E+00 4.7803E+00 O6 4519 15.999400 -0.847600 5.1785E+00 1.6887E+01 3.7859E+00 H1 4520 1.008000 0.423800 5.9543E+00 1.7486E+01 3.9864E+00 H2 4521 1.008000 0.423800 5.3142E+00 1.6453E+01 2.8955E+00 O6 4522 15.999400 -0.847600 1.1579E+01 1.8554E+01 -2.1907E+00 H1 4523 1.008000 0.423800 1.2442E+01 1.8970E+01 -1.9045E+00 H2 4524 1.008000 0.423800 1.1038E+01 1.8320E+01 -1.3830E+00 O6 4525 15.999400 -0.847600 1.2377E+01 1.0924E+01 8.1108E+00 H1 4526 1.008000 0.423800 1.2765E+01 1.1781E+01 8.4493E+00 H2 4527 1.008000 0.423800 1.1444E+01 1.1085E+01 7.7882E+00 O6 4528 15.999400 -0.847600 1.9260E+01 -1.2615E+01 -1.0059E+01 H1 4529 1.008000 0.423800 1.9271E+01 -1.2882E+01 -9.0950E+00 H2 4530 1.008000 0.423800 1.8893E+01 -1.3366E+01 -1.0608E+01 O6 4531 15.999400 -0.847600 -1.0161E+01 -1.1358E+01 1.4109E+01 H1 4532 1.008000 0.423800 -9.4706E+00 -1.0688E+01 1.3836E+01 H2 4533 1.008000 0.423800 -1.1068E+01 -1.0939E+01 1.4064E+01 O6 4534 15.999400 -0.847600 -8.7015E+00 -1.0296E+01 1.7837E+01 H1 4535 1.008000 0.423800 -8.1889E+00 -1.0222E+01 1.8692E+01 H2 4536 1.008000 0.423800 -9.4307E+00 -1.0972E+01 1.7943E+01 O6 4537 15.999400 -0.847600 -1.3288E+01 -4.5726E+00 1.7944E+01 H1 4538 1.008000 0.423800 -1.2813E+01 -4.9705E+00 1.8729E+01 H2 4539 1.008000 0.423800 -1.2620E+01 -4.1606E+00 1.7324E+01 O6 4540 15.999400 -0.847600 -1.5268E+01 -7.7139E+00 1.8433E+01 H1 4541 1.008000 0.423800 -1.5838E+01 -8.4845E+00 1.8717E+01 H2 4542 1.008000 0.423800 -1.4432E+01 -7.6973E+00 1.8981E+01 O6 4543 15.999400 -0.847600 -1.1253E+01 1.5974E+01 -1.4678E+01 H1 4544 1.008000 0.423800 -1.2043E+01 1.5911E+01 -1.4068E+01 H2 4545 1.008000 0.423800 -1.0963E+01 1.6929E+01 -1.4751E+01 O6 4546 15.999400 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-5.0233E+00 -9.9221E+00 H2 4563 1.008000 0.423800 2.2880E+00 -5.6855E+00 -1.1325E+01 O6 4564 15.999400 -0.847600 6.1412E+00 1.7781E+01 -5.0299E+00 H1 4565 1.008000 0.423800 5.5768E+00 1.8361E+01 -4.4427E+00 H2 4566 1.008000 0.423800 5.5943E+00 1.7014E+01 -5.3652E+00 O6 4567 15.999400 -0.847600 5.5166E+00 -7.5566E+00 -1.2741E+01 H1 4568 1.008000 0.423800 4.6936E+00 -7.4391E+00 -1.3297E+01 H2 4569 1.008000 0.423800 5.4612E+00 -6.9674E+00 -1.1935E+01 O6 4570 15.999400 -0.847600 -5.5006E+00 4.5343E+00 -1.7139E+01 H1 4571 1.008000 0.423800 -5.6687E+00 3.8639E+00 -1.6416E+01 H2 4572 1.008000 0.423800 -4.6301E+00 4.3303E+00 -1.7587E+01 O6 4573 15.999400 -0.847600 1.7133E+01 -1.5395E+00 -6.0492E+00 H1 4574 1.008000 0.423800 1.6201E+01 -1.2434E+00 -6.2591E+00 H2 4575 1.008000 0.423800 1.7269E+01 -1.5345E+00 -5.0585E+00 O6 4576 15.999400 -0.847600 -1.0996E+01 8.3954E+00 -1.9545E+01 H1 4577 1.008000 0.423800 -1.1036E+01 9.3406E+00 1.9228E+01 H2 4578 1.008000 0.423800 -1.0297E+01 8.3156E+00 -1.8835E+01 O6 4579 15.999400 -0.847600 -9.7201E+00 -1.6093E+01 -4.1326E+00 H1 4580 1.008000 0.423800 -9.3566E+00 -1.6803E+01 -4.7354E+00 H2 4581 1.008000 0.423800 -9.0360E+00 -1.5373E+01 -4.0154E+00 O6 4582 15.999400 -0.847600 2.3283E+00 1.3357E+01 3.4833E+00 H1 4583 1.008000 0.423800 2.4308E+00 1.2721E+01 2.7187E+00 H2 4584 1.008000 0.423800 1.3876E+00 1.3324E+01 3.8208E+00 O6 4585 15.999400 -0.847600 -4.9717E+00 -1.9798E+00 -5.0018E+00 H1 4586 1.008000 0.423800 -5.8186E+00 -1.5158E+00 -5.2616E+00 H2 4587 1.008000 0.423800 -4.6209E+00 -1.5828E+00 -4.1537E+00 O6 4588 15.999400 -0.847600 -4.3604E-01 1.6790E+01 1.3998E+01 H1 4589 1.008000 0.423800 -9.2894E-01 1.5923E+01 1.4068E+01 H2 4590 1.008000 0.423800 -7.7366E-01 1.7422E+01 1.4696E+01 O6 4591 15.999400 -0.847600 -1.7015E+01 5.0795E-01 -3.6537E+00 H1 4592 1.008000 0.423800 -1.7187E+01 1.4417E+00 -3.9680E+00 H2 4593 1.008000 0.423800 -1.7881E+01 7.7802E-02 -3.3988E+00 O6 4594 15.999400 -0.847600 -4.3003E+00 1.9511E+01 1.8454E+01 H1 4595 1.008000 0.423800 -4.7072E+00 -1.8864E+01 1.9012E+01 H2 4596 1.008000 0.423800 -4.3899E+00 -1.9352E+01 1.7487E+01 O6 4597 15.999400 -0.847600 1.6543E+00 1.2929E+01 -1.4357E+01 H1 4598 1.008000 0.423800 1.8260E+00 1.2123E+01 -1.4924E+01 H2 4599 1.008000 0.423800 1.2546E+00 1.2644E+01 -1.3486E+01 O6 4600 15.999400 -0.847600 1.3089E+01 -8.3161E+00 -8.2990E+00 H1 4601 1.008000 0.423800 1.2790E+01 -8.1684E+00 -9.2417E+00 H2 4602 1.008000 0.423800 1.2305E+01 -8.2373E+00 -7.6841E+00 O6 4603 15.999400 -0.847600 1.3856E+01 -5.4944E+00 -8.5064E+00 H1 4604 1.008000 0.423800 1.3424E+01 -6.3881E+00 -8.3848E+00 H2 4605 1.008000 0.423800 1.4822E+01 -5.5545E+00 -8.2560E+00 O6 4606 15.999400 -0.847600 1.5196E+01 -1.7094E+01 -1.3317E+01 H1 4607 1.008000 0.423800 1.5930E+01 -1.7530E+01 -1.2796E+01 H2 4608 1.008000 0.423800 1.4807E+01 -1.7755E+01 -1.3959E+01 O6 4609 15.999400 -0.847600 5.6732E-01 -9.3033E+00 -1.7488E+01 H1 4610 1.008000 0.423800 1.2507E+00 -9.3539E+00 -1.6760E+01 H2 4611 1.008000 0.423800 5.3422E-01 -1.0176E+01 -1.7976E+01 O6 4612 15.999400 -0.847600 1.2165E+01 6.8395E+00 7.8335E-01 H1 4613 1.008000 0.423800 1.1253E+01 7.2151E+00 6.1480E-01 H2 4614 1.008000 0.423800 1.2846E+01 7.5665E+00 6.9734E-01 O6 4615 15.999400 -0.847600 -5.6467E+00 3.6939E+00 1.8177E+01 H1 4616 1.008000 0.423800 -5.2709E+00 3.9978E+00 1.7302E+01 H2 4617 1.008000 0.423800 -4.9252E+00 3.6991E+00 1.8869E+01 O6 4618 15.999400 -0.847600 3.3877E+00 -7.6350E+00 -1.4229E+01 H1 4619 1.008000 0.423800 2.7728E+00 -6.9274E+00 -1.4577E+01 H2 4620 1.008000 0.423800 3.2208E+00 -8.4914E+00 -1.4717E+01 O6 4621 15.999400 -0.847600 5.4274E+00 6.4239E+00 -1.6832E+01 H1 4622 1.008000 0.423800 5.2329E+00 5.5011E+00 -1.6499E+01 H2 4623 1.008000 0.423800 6.1962E+00 6.8074E+00 -1.6320E+01 O6 4624 15.999400 -0.847600 -3.9333E+00 -1.4269E+00 -1.3633E+01 H1 4625 1.008000 0.423800 -4.4914E+00 -1.2958E+00 -1.2813E+01 H2 4626 1.008000 0.423800 -4.1432E+00 -2.3156E+00 -1.4040E+01 O6 4627 15.999400 -0.847600 -1.7250E+01 -8.8784E+00 6.6406E+00 H1 4628 1.008000 0.423800 -1.6498E+01 -8.5335E+00 7.2030E+00 H2 4629 1.008000 0.423800 -1.7004E+01 -8.8048E+00 5.6741E+00 O6 4630 15.999400 -0.847600 1.2964E-01 -9.6144E+00 2.3623E+00 H1 4631 1.008000 0.423800 -6.2367E-01 -1.0265E+01 2.4558E+00 H2 4632 1.008000 0.423800 5.7051E-01 -9.4851E+00 3.2505E+00 O6 4633 15.999400 -0.847600 7.9856E+00 -6.5261E+00 4.2115E-01 H1 4634 1.008000 0.423800 7.6008E+00 -7.4204E+00 6.4948E-01 H2 4635 1.008000 0.423800 7.4429E+00 -5.8085E+00 8.5761E-01 O6 4636 15.999400 -0.847600 -1.1353E+01 1.3105E+01 8.4566E+00 H1 4637 1.008000 0.423800 -1.0970E+01 1.3417E+01 7.5873E+00 H2 4638 1.008000 0.423800 -1.2096E+01 1.3716E+01 8.7313E+00 O6 4639 15.999400 -0.847600 1.3287E+01 -1.1774E+01 -7.9394E+00 H1 4640 1.008000 0.423800 1.2691E+01 -1.1035E+01 -8.2503E+00 H2 4641 1.008000 0.423800 1.4134E+01 -1.1388E+01 -7.5740E+00 O6 4642 15.999400 -0.847600 -2.1719E-01 -1.8313E+01 -1.1464E+01 H1 4643 1.008000 0.423800 3.5194E-01 -1.7490E+01 -1.1468E+01 H2 4644 1.008000 0.423800 -1.1609E+00 -1.8066E+01 -1.1685E+01 O6 4645 15.999400 -0.847600 1.0027E+01 1.6302E+01 -1.7278E+01 H1 4646 1.008000 0.423800 1.0034E+01 1.6421E+01 -1.8271E+01 H2 4647 1.008000 0.423800 1.0967E+01 1.6295E+01 -1.6937E+01 O6 4648 15.999400 -0.847600 -1.7364E+01 1.0858E+01 -1.7196E+01 H1 4649 1.008000 0.423800 -1.6494E+01 1.0966E+01 -1.7677E+01 H2 4650 1.008000 0.423800 -1.8034E+01 1.1499E+01 -1.7570E+01 O6 4651 15.999400 -0.847600 -6.3767E+00 -6.9983E+00 1.5720E+01 H1 4652 1.008000 0.423800 -5.7794E+00 -7.1174E+00 1.6513E+01 H2 4653 1.008000 0.423800 -7.2912E+00 -7.3395E+00 1.5937E+01 O6 4654 15.999400 -0.847600 -3.3010E+00 2.1562E+00 1.1338E+01 H1 4655 1.008000 0.423800 -3.2984E+00 3.1491E+00 1.1219E+01 H2 4656 1.008000 0.423800 -4.2430E+00 1.8344E+00 1.1432E+01 O6 4657 15.999400 -0.847600 -1.5567E+01 1.7387E+01 -4.5815E+00 H1 4658 1.008000 0.423800 -1.4744E+01 1.7266E+01 -4.0262E+00 H2 4659 1.008000 0.423800 -1.5405E+01 1.8097E+01 -5.2663E+00 O6 4660 15.999400 -0.847600 8.3452E+00 -1.8576E+01 2.9541E+00 H1 4661 1.008000 0.423800 8.2529E+00 -1.7874E+01 3.6605E+00 H2 4662 1.008000 0.423800 9.2301E+00 -1.8477E+01 2.4990E+00 O6 4663 15.999400 -0.847600 1.2342E+01 -1.8281E+01 1.1565E+01 H1 4664 1.008000 0.423800 1.2768E+01 -1.7453E+01 1.1198E+01 H2 4665 1.008000 0.423800 1.2990E+01 -1.8751E+01 1.2165E+01 O6 4666 15.999400 -0.847600 -9.3222E-01 -1.6181E+01 -5.2607E+00 H1 4667 1.008000 0.423800 -1.7703E+00 -1.5782E+01 -5.6322E+00 H2 4668 1.008000 0.423800 -6.1713E-01 -1.6915E+01 -5.8632E+00 O6 4669 15.999400 -0.847600 -1.0557E+01 1.6831E+01 1.3066E+01 H1 4670 1.008000 0.423800 -1.0421E+01 1.5851E+01 1.2920E+01 H2 4671 1.008000 0.423800 -9.6813E+00 1.7305E+01 1.2975E+01 O6 4672 15.999400 -0.847600 2.2988E+00 -3.9732E+00 3.8279E+00 H1 4673 1.008000 0.423800 3.0335E+00 -4.5627E+00 4.1638E+00 H2 4674 1.008000 0.423800 2.3036E+00 -3.9717E+00 2.8280E+00 O6 4675 15.999400 -0.847600 -1.3576E+01 -1.7068E+01 6.0377E+00 H1 4676 1.008000 0.423800 -1.3163E+01 -1.7978E+01 6.0068E+00 H2 4677 1.008000 0.423800 -1.2858E+01 -1.6374E+01 5.9986E+00 O6 4678 15.999400 -0.847600 1.8468E+00 -3.6461E+00 -1.9426E+01 H1 4679 1.008000 0.423800 2.4620E+00 -3.7622E+00 -1.8647E+01 H2 4680 1.008000 0.423800 8.9850E-01 -3.6861E+00 -1.9111E+01 O6 4681 15.999400 -0.847600 -1.7598E+01 3.2563E+00 -3.8819E+00 H1 4682 1.008000 0.423800 -1.7482E+01 3.9306E+00 -3.1525E+00 H2 4683 1.008000 0.423800 -1.7043E+01 3.5205E+00 -4.6710E+00 O6 4684 15.999400 -0.847600 -1.1914E+01 9.0291E+00 -5.2753E+00 H1 4685 1.008000 0.423800 -1.1831E+01 8.3156E+00 -4.5796E+00 H2 4686 1.008000 0.423800 -1.2880E+01 9.1746E+00 -5.4893E+00 O6 4687 15.999400 -0.847600 9.0149E+00 -2.8343E+00 -3.1368E+00 H1 4688 1.008000 0.423800 9.3759E+00 -2.8985E+00 -4.0672E+00 H2 4689 1.008000 0.423800 8.8395E+00 -3.7532E+00 -2.7834E+00 O6 4690 15.999400 -0.847600 1.7694E+01 -3.9830E+00 6.2604E+00 H1 4691 1.008000 0.423800 1.7335E+01 -4.6982E+00 6.8601E+00 H2 4692 1.008000 0.423800 1.6964E+01 -3.6509E+00 5.6636E+00 O6 4693 15.999400 -0.847600 3.5713E+00 -8.2699E+00 -1.8787E+01 H1 4694 1.008000 0.423800 4.2747E+00 -8.2146E+00 -1.8078E+01 H2 4695 1.008000 0.423800 2.7278E+00 -7.8494E+00 -1.8453E+01 O6 4696 15.999400 -0.847600 -1.5337E+01 -1.5289E+01 -8.0775E+00 H1 4697 1.008000 0.423800 -1.5966E+01 -1.5581E+01 -7.3565E+00 H2 4698 1.008000 0.423800 -1.4465E+01 -1.5768E+01 -7.9735E+00 O6 4699 15.999400 -0.847600 -1.1670E+01 -1.3183E+01 -1.5824E+01 H1 4700 1.008000 0.423800 -1.1638E+01 -1.2191E+01 -1.5944E+01 H2 4701 1.008000 0.423800 -1.2616E+01 -1.3470E+01 -1.5673E+01 O6 4702 15.999400 -0.847600 -1.0280E+01 4.6297E+00 -1.0504E+01 H1 4703 1.008000 0.423800 -1.0813E+01 5.3951E+00 -1.0864E+01 H2 4704 1.008000 0.423800 -1.0008E+01 4.8272E+00 -9.5616E+00 O6 4705 15.999400 -0.847600 1.0349E+01 -6.8052E+00 1.5538E+01 H1 4706 1.008000 0.423800 1.0077E+01 -5.8606E+00 1.5721E+01 H2 4707 1.008000 0.423800 9.7805E+00 -7.4265E+00 1.6077E+01 O6 4708 15.999400 -0.847600 -6.2092E+00 1.8827E+01 -3.9498E+00 H1 4709 1.008000 0.423800 -5.6465E+00 1.8352E+01 -3.2730E+00 H2 4710 1.008000 0.423800 -5.7248E+00 -1.9459E+01 -4.2750E+00 O6 4711 15.999400 -0.847600 3.9887E+00 1.1605E+01 5.5156E+00 H1 4712 1.008000 0.423800 3.6468E+00 1.2297E+01 4.8794E+00 H2 4713 1.008000 0.423800 4.5891E+00 1.2038E+01 6.1878E+00 O6 4714 15.999400 -0.847600 1.6950E+01 9.7335E-01 1.2845E+01 H1 4715 1.008000 0.423800 1.6372E+01 1.7889E+00 1.2824E+01 H2 4716 1.008000 0.423800 1.7078E+01 6.7904E-01 1.3792E+01 O6 4717 15.999400 -0.847600 -3.2818E-02 1.1818E+01 1.6997E+01 H1 4718 1.008000 0.423800 -3.7282E-01 1.2754E+01 1.7082E+01 H2 4719 1.008000 0.423800 7.5595E-01 1.1804E+01 1.6382E+01 O6 4720 15.999400 -0.847600 1.7642E+01 4.4877E+00 -5.3364E-01 H1 4721 1.008000 0.423800 1.7053E+01 3.7115E+00 -7.5842E-01 H2 4722 1.008000 0.423800 1.8558E+01 4.3283E+00 -9.0122E-01 O6 4723 15.999400 -0.847600 1.7763E+01 -1.4288E+01 1.0495E+01 H1 4724 1.008000 0.423800 1.7825E+01 -1.4371E+01 9.5003E+00 H2 4725 1.008000 0.423800 1.8227E+01 -1.5063E+01 1.0924E+01 O6 4726 15.999400 -0.847600 -4.9108E-01 -1.5305E+01 5.4139E+00 H1 4727 1.008000 0.423800 -1.1760E+00 -1.4593E+01 5.5665E+00 H2 4728 1.008000 0.423800 2.6754E-01 -1.4930E+01 4.8815E+00 O6 4729 15.999400 -0.847600 -1.0975E-02 -1.4098E+01 1.5530E+01 H1 4730 1.008000 0.423800 2.8696E-01 -1.3804E+01 1.4622E+01 H2 4731 1.008000 0.423800 -3.3873E-01 -1.3306E+01 1.6046E+01 O6 4732 15.999400 -0.847600 1.7520E+01 4.7255E+00 -1.0983E+01 H1 4733 1.008000 0.423800 1.7850E+01 3.7824E+00 -1.0946E+01 H2 4734 1.008000 0.423800 1.7147E+01 4.9834E+00 -1.0092E+01 O6 4735 15.999400 -0.847600 -1.9474E+01 -1.0385E+01 9.9074E+00 H1 4736 1.008000 0.423800 1.8999E+01 -1.0563E+01 9.1467E+00 H2 4737 1.008000 0.423800 1.9366E+01 -1.0953E+01 1.0689E+01 O6 4738 15.999400 -0.847600 1.0635E+01 -1.2231E+01 1.2126E+01 H1 4739 1.008000 0.423800 1.0596E+01 -1.3224E+01 1.2238E+01 H2 4740 1.008000 0.423800 1.0069E+01 -1.1794E+01 1.2825E+01 O6 4741 15.999400 -0.847600 1.3980E+01 1.8691E+01 -7.2579E-01 H1 4742 1.008000 0.423800 1.4346E+01 1.9381E+01 -1.3493E+00 H2 4743 1.008000 0.423800 1.4689E+01 1.8419E+01 -7.5122E-02 O6 4744 15.999400 -0.847600 1.6469E+01 -1.1093E+01 -1.8281E+00 H1 4745 1.008000 0.423800 1.6881E+01 -1.0465E+01 -2.4877E+00 H2 4746 1.008000 0.423800 1.6994E+01 -1.1076E+01 -9.7749E-01 O6 4747 15.999400 -0.847600 9.7678E+00 1.1508E+01 7.8259E+00 H1 4748 1.008000 0.423800 9.6857E+00 1.2182E+01 8.5601E+00 H2 4749 1.008000 0.423800 8.8632E+00 1.1319E+01 7.4436E+00 O6 4750 15.999400 -0.847600 1.4062E+01 -8.8392E+00 -3.7789E+00 H1 4751 1.008000 0.423800 1.3760E+01 -9.6190E+00 -4.3271E+00 H2 4752 1.008000 0.423800 1.4326E+01 -9.1548E+00 -2.8674E+00 O6 4753 15.999400 -0.847600 1.9046E+01 1.7979E+01 1.5141E+01 H1 4754 1.008000 0.423800 1.8178E+01 1.7495E+01 1.5250E+01 H2 4755 1.008000 0.423800 1.8930E+01 1.8936E+01 1.5408E+01 O6 4756 15.999400 -0.847600 -4.9824E+00 6.4996E+00 7.4388E+00 H1 4757 1.008000 0.423800 -4.3292E+00 7.1869E+00 7.1210E+00 H2 4758 1.008000 0.423800 -5.9085E+00 6.7758E+00 7.1816E+00 O6 4759 15.999400 -0.847600 1.9458E+00 1.5198E+01 5.3880E+00 H1 4760 1.008000 0.423800 2.3450E+00 1.4512E+01 4.7796E+00 H2 4761 1.008000 0.423800 1.9077E+00 1.6079E+01 4.9171E+00 O6 4762 15.999400 -0.847600 1.7746E+01 -1.1215E+01 8.1720E+00 H1 4763 1.008000 0.423800 1.7794E+01 -1.2076E+01 7.6668E+00 H2 4764 1.008000 0.423800 1.7010E+01 -1.0650E+01 7.7991E+00 O6 4765 15.999400 -0.847600 -1.5638E+01 -1.2461E+00 -5.2797E+00 H1 4766 1.008000 0.423800 -1.6086E+01 -5.4769E-01 -4.7214E+00 H2 4767 1.008000 0.423800 -1.4928E+01 -8.1975E-01 -5.8404E+00 O6 4768 15.999400 -0.847600 9.0432E+00 9.7014E+00 2.0415E+00 H1 4769 1.008000 0.423800 9.1904E+00 9.0593E+00 1.2891E+00 H2 4770 1.008000 0.423800 8.5777E+00 9.2333E+00 2.7927E+00 O6 4771 15.999400 -0.847600 -1.8554E+01 1.6669E+01 1.3185E+01 H1 4772 1.008000 0.423800 -1.9157E+01 1.7372E+01 1.3562E+01 H2 4773 1.008000 0.423800 -1.8974E+01 1.5769E+01 1.3308E+01 O6 4774 15.999400 -0.847600 1.8671E+01 1.5778E+01 -4.1483E+00 H1 4775 1.008000 0.423800 1.8974E+01 1.4835E+01 -4.2851E+00 H2 4776 1.008000 0.423800 1.7990E+01 1.5806E+01 -3.4160E+00 O6 4777 15.999400 -0.847600 6.6002E+00 -5.5881E+00 1.4796E+01 H1 4778 1.008000 0.423800 6.9518E+00 -4.6977E+00 1.5085E+01 H2 4779 1.008000 0.423800 6.5404E+00 -6.1959E+00 1.5588E+01 O6 4780 15.999400 -0.847600 -1.7804E+01 1.0069E+01 5.0312E+00 H1 4781 1.008000 0.423800 -1.7720E+01 9.0884E+00 4.8522E+00 H2 4782 1.008000 0.423800 -1.8687E+01 1.0253E+01 5.4641E+00 O6 4783 15.999400 -0.847600 1.3666E+01 5.4907E+00 2.5494E+00 H1 4784 1.008000 0.423800 1.3068E+01 5.8478E+00 1.8314E+00 H2 4785 1.008000 0.423800 1.3415E+01 5.9009E+00 3.4262E+00 O6 4786 15.999400 -0.847600 -6.0776E+00 -1.4531E+01 -9.9563E+00 H1 4787 1.008000 0.423800 -6.4161E+00 -1.5471E+01 -9.9847E+00 H2 4788 1.008000 0.423800 -5.4662E+00 -1.4373E+01 -1.0732E+01 O6 4789 15.999400 -0.847600 -1.7807E+01 -1.5935E+01 8.5439E+00 H1 4790 1.008000 0.423800 -1.7538E+01 -1.5282E+01 9.2513E+00 H2 4791 1.008000 0.423800 -1.7134E+01 -1.6674E+01 8.4997E+00 O6 4792 15.999400 -0.847600 9.8548E+00 5.2746E+00 -1.0509E+01 H1 4793 1.008000 0.423800 9.2893E+00 4.4672E+00 -1.0677E+01 H2 4794 1.008000 0.423800 1.0628E+01 5.2775E+00 -1.1143E+01 O6 4795 15.999400 -0.847600 5.5032E+00 -6.2830E-01 -1.5341E+01 H1 4796 1.008000 0.423800 6.0624E+00 -7.3899E-01 -1.6163E+01 H2 4797 1.008000 0.423800 5.8218E+00 1.6718E-01 -1.4826E+01 O6 4798 15.999400 -0.847600 7.4099E+00 -1.2462E+01 1.8235E+00 H1 4799 1.008000 0.423800 7.1289E+00 -1.2813E+01 2.7167E+00 H2 4800 1.008000 0.423800 6.6140E+00 -1.2089E+01 1.3467E+00 O6 4801 15.999400 -0.847600 1.0711E+01 -1.6874E+01 -7.9928E+00 H1 4802 1.008000 0.423800 1.0605E+01 -1.6541E+01 -7.0556E+00 H2 4803 1.008000 0.423800 1.1376E+01 -1.7621E+01 -8.0076E+00 O6 4804 15.999400 -0.847600 -1.4414E+01 -1.4311E+01 -1.2289E+01 H1 4805 1.008000 0.423800 -1.3450E+01 -1.4111E+01 -1.2113E+01 H2 4806 1.008000 0.423800 -1.4596E+01 -1.4240E+01 -1.3270E+01 O6 4807 15.999400 -0.847600 2.1673E+00 5.0927E+00 -8.2345E+00 H1 4808 1.008000 0.423800 1.7549E+00 5.9867E+00 -8.0592E+00 H2 4809 1.008000 0.423800 1.5305E+00 4.3723E+00 -7.9597E+00 O6 4810 15.999400 -0.847600 -1.2717E+01 -1.3123E+01 -6.0820E+00 H1 4811 1.008000 0.423800 -1.3265E+01 -1.3751E+01 -5.5297E+00 H2 4812 1.008000 0.423800 -1.1827E+01 -1.3537E+01 -6.2730E+00 O6 4813 15.999400 -0.847600 -8.3178E+00 5.8740E+00 -1.7970E+01 H1 4814 1.008000 0.423800 -8.3053E+00 5.4389E+00 -1.7069E+01 H2 4815 1.008000 0.423800 -8.5270E+00 6.8464E+00 -1.7867E+01 O6 4816 15.999400 -0.847600 1.6846E+01 1.0493E+01 -7.8607E+00 H1 4817 1.008000 0.423800 1.6060E+01 1.0666E+01 -7.2674E+00 H2 4818 1.008000 0.423800 1.6539E+01 1.0425E+01 -8.8098E+00 O6 4819 15.999400 -0.847600 1.8383E+01 -1.8626E+01 1.5228E+01 H1 4820 1.008000 0.423800 1.7991E+01 -1.8714E+01 1.4313E+01 H2 4821 1.008000 0.423800 1.8205E+01 -1.7707E+01 1.5580E+01 O6 4822 15.999400 -0.847600 1.6679E+01 1.6321E+01 1.5471E+01 H1 4823 1.008000 0.423800 1.5955E+01 1.6849E+01 1.5915E+01 H2 4824 1.008000 0.423800 1.7287E+01 1.5939E+01 1.6167E+01 O6 4825 15.999400 -0.847600 -5.9029E-01 -1.6385E+01 1.6244E+00 H1 4826 1.008000 0.423800 -6.3323E-01 -1.5417E+01 1.8736E+00 H2 4827 1.008000 0.423800 1.2640E-01 -1.6521E+01 9.4053E-01 O6 4828 15.999400 -0.847600 -7.9429E+00 -3.2167E+00 -9.2952E+00 H1 4829 1.008000 0.423800 -7.0655E+00 -2.9532E+00 -8.8941E+00 H2 4830 1.008000 0.423800 -7.8629E+00 -4.1258E+00 -9.7039E+00 O6 4831 15.999400 -0.847600 8.9734E+00 4.1537E+00 -7.4200E+00 H1 4832 1.008000 0.423800 8.0336E+00 4.2654E+00 -7.7433E+00 H2 4833 1.008000 0.423800 9.4792E+00 5.0040E+00 -7.5659E+00 O6 4834 15.999400 -0.847600 9.0327E+00 7.9267E+00 -2.4191E+00 H1 4835 1.008000 0.423800 8.9862E+00 8.8758E+00 -2.1075E+00 H2 4836 1.008000 0.423800 9.7326E+00 7.8427E+00 -3.1284E+00 O6 4837 15.999400 -0.847600 7.4423E+00 -4.2193E+00 6.8098E+00 H1 4838 1.008000 0.423800 7.4668E+00 -3.5441E+00 6.0725E+00 H2 4839 1.008000 0.423800 7.9468E+00 -5.0362E+00 6.5304E+00 O6 4840 15.999400 -0.847600 8.6751E-01 -5.0308E+00 -8.3695E+00 H1 4841 1.008000 0.423800 -1.0148E-02 -5.2243E+00 -7.9310E+00 H2 4842 1.008000 0.423800 1.4816E+00 -4.5981E+00 -7.7096E+00 O6 4843 15.999400 -0.847600 1.8551E+01 1.1498E+01 -1.0971E+01 H1 4844 1.008000 0.423800 1.8937E+01 1.1656E+01 -1.1879E+01 H2 4845 1.008000 0.423800 1.8983E+01 1.2115E+01 -1.0313E+01 O6 4846 15.999400 -0.847600 -3.8802E+00 1.4468E+01 -1.8558E+01 H1 4847 1.008000 0.423800 -3.7005E+00 1.3890E+01 -1.9354E+01 H2 4848 1.008000 0.423800 -3.9693E+00 1.5420E+01 -1.8851E+01 O6 4849 15.999400 -0.847600 5.4489E+00 -1.8275E+01 2.1506E+00 H1 4850 1.008000 0.423800 6.1902E+00 -1.8757E+01 1.6834E+00 H2 4851 1.008000 0.423800 5.3973E+00 -1.7336E+01 1.8126E+00 O6 4852 15.999400 -0.847600 3.2145E-01 -1.3164E+01 1.3013E+01 H1 4853 1.008000 0.423800 -2.9558E-01 -1.3030E+01 1.2238E+01 H2 4854 1.008000 0.423800 1.1729E+00 -1.2665E+01 1.2851E+01 O6 4855 15.999400 -0.847600 -1.3497E+01 -1.7472E+00 -1.2581E+01 H1 4856 1.008000 0.423800 -1.3869E+01 -2.5851E+00 -1.2181E+01 H2 4857 1.008000 0.423800 -1.4120E+01 -1.4096E+00 -1.3287E+01 O6 4858 15.999400 -0.847600 9.7684E+00 -1.6059E+01 -1.4156E+01 H1 4859 1.008000 0.423800 1.0744E+01 -1.5846E+01 -1.4098E+01 H2 4860 1.008000 0.423800 9.2998E+00 -1.5339E+01 -1.4668E+01 O6 4861 15.999400 -0.847600 1.8170E+01 -7.9275E+00 -1.4183E+00 H1 4862 1.008000 0.423800 1.7285E+01 -7.4838E+00 -1.5554E+00 H2 4863 1.008000 0.423800 1.8377E+01 -7.9651E+00 -4.4047E-01 O6 4864 15.999400 -0.847600 1.6453E+01 -5.5964E+00 -7.8254E+00 H1 4865 1.008000 0.423800 1.6929E+01 -4.7196E+00 -7.7577E+00 H2 4866 1.008000 0.423800 1.7123E+01 -6.3324E+00 -7.9243E+00 O6 4867 15.999400 -0.847600 -3.3605E-01 -1.3982E+01 -1.5299E+00 H1 4868 1.008000 0.423800 -8.9836E-01 -1.3464E+01 -2.1748E+00 H2 4869 1.008000 0.423800 6.3052E-01 -1.3848E+01 -1.7487E+00 O6 4870 15.999400 -0.847600 -1.1397E+01 -8.1761E+00 1.5318E+01 H1 4871 1.008000 0.423800 -1.1564E+01 -8.0881E+00 1.6300E+01 H2 4872 1.008000 0.423800 -1.1983E+01 -8.8941E+00 1.4943E+01 O6 4873 15.999400 -0.847600 -1.5254E+01 1.8693E+01 7.2911E+00 H1 4874 1.008000 0.423800 -1.5875E+01 1.9174E+01 7.9104E+00 H2 4875 1.008000 0.423800 -1.5773E+01 1.8038E+01 6.7415E+00 O6 4876 15.999400 -0.847600 -7.0377E+00 -1.4397E+01 -1.7055E+01 H1 4877 1.008000 0.423800 -7.4867E+00 -1.5261E+01 -1.7286E+01 H2 4878 1.008000 0.423800 -7.7119E+00 -1.3659E+01 -1.7063E+01 O6 4879 15.999400 -0.847600 -1.7364E+01 -1.3976E+00 -1.6080E+01 H1 4880 1.008000 0.423800 -1.6762E+01 -1.2902E+00 -1.6872E+01 H2 4881 1.008000 0.423800 -1.8169E+01 -1.9290E+00 -1.6343E+01 O6 4882 15.999400 -0.847600 9.3522E+00 5.4769E+00 -5.1493E+00 H1 4883 1.008000 0.423800 9.8081E+00 5.1461E+00 -4.3231E+00 H2 4884 1.008000 0.423800 9.3994E+00 4.7749E+00 -5.8599E+00 O6 4885 15.999400 -0.847600 -4.7746E-01 -1.0006E+01 1.3680E+01 H1 4886 1.008000 0.423800 -1.8281E-03 -1.0161E+01 1.4545E+01 H2 4887 1.008000 0.423800 4.4681E-02 -9.3595E+00 1.3124E+01 O6 4888 15.999400 -0.847600 8.0320E+00 -7.5946E+00 -4.9629E+00 H1 4889 1.008000 0.423800 7.7518E+00 -8.1395E+00 -5.7532E+00 H2 4890 1.008000 0.423800 8.4049E+00 -8.1977E+00 -4.2577E+00 O6 4891 15.999400 -0.847600 -1.1943E+01 -4.8135E-01 -4.8396E+00 H1 4892 1.008000 0.423800 -1.1017E+01 -2.2006E-01 -4.5680E+00 H2 4893 1.008000 0.423800 -1.2033E+01 -1.4766E+00 -4.8019E+00 O6 4894 15.999400 -0.847600 1.2802E+01 2.3881E-01 -6.5638E+00 H1 4895 1.008000 0.423800 1.3382E+01 9.4573E-01 -6.1595E+00 H2 4896 1.008000 0.423800 1.1967E+01 6.5737E-01 -6.9219E+00 O6 4897 15.999400 -0.847600 -8.7211E+00 -1.7918E+01 -5.8877E+00 H1 4898 1.008000 0.423800 -9.0920E+00 -1.7728E+01 -6.7967E+00 H2 4899 1.008000 0.423800 -7.7657E+00 -1.8201E+01 -5.9702E+00 O6 4900 15.999400 -0.847600 -1.9205E+01 1.0995E+01 -1.3485E+01 H1 4901 1.008000 0.423800 -1.8276E+01 1.0623E+01 -1.3504E+01 H2 4902 1.008000 0.423800 1.9311E+01 1.0470E+01 -1.4107E+01 O6 4903 15.999400 -0.847600 1.2452E+00 -1.9412E+01 -1.5794E+01 H1 4904 1.008000 0.423800 1.8003E+00 -1.8653E+01 -1.5452E+01 H2 4905 1.008000 0.423800 1.8271E+00 1.8886E+01 -1.5939E+01 O6 4906 15.999400 -0.847600 -1.8624E+00 -1.1931E+01 -6.5761E+00 H1 4907 1.008000 0.423800 -1.9034E+00 -1.2927E+01 -6.6577E+00 H2 4908 1.008000 0.423800 -1.9088E+00 -1.1520E+01 -7.4865E+00 O6 4909 15.999400 -0.847600 -3.0031E+00 -1.0064E+01 -1.9431E+01 H1 4910 1.008000 0.423800 -2.4751E+00 -9.7926E+00 1.8861E+01 H2 4911 1.008000 0.423800 -3.9594E+00 -1.0200E+01 1.9407E+01 O6 4912 15.999400 -0.847600 1.8636E+01 -1.7631E+00 -9.6559E-01 H1 4913 1.008000 0.423800 1.8383E+01 -1.6718E+00 -2.4510E-03 H2 4914 1.008000 0.423800 -1.9506E+01 -2.0508E+00 -1.0333E+00 O6 4915 15.999400 -0.847600 2.0347E+00 3.9274E+00 -1.2575E+01 H1 4916 1.008000 0.423800 1.5006E+00 4.3049E+00 -1.3332E+01 H2 4917 1.008000 0.423800 1.8197E+00 2.9568E+00 -1.2467E+01 O6 4918 15.999400 -0.847600 -4.7706E-01 -1.3191E+01 -1.7094E+01 H1 4919 1.008000 0.423800 3.7450E-01 -1.3562E+01 -1.6723E+01 H2 4920 1.008000 0.423800 -2.9756E-01 -1.2768E+01 -1.7982E+01 O6 4921 15.999400 -0.847600 -1.7252E+01 -1.0958E+01 8.4775E+00 H1 4922 1.008000 0.423800 -1.7110E+01 -1.0129E+01 7.9364E+00 H2 4923 1.008000 0.423800 -1.8027E+01 -1.0824E+01 9.0953E+00 O6 4924 15.999400 -0.847600 1.7811E+01 -1.2534E+01 3.9635E+00 H1 4925 1.008000 0.423800 1.8729E+01 -1.2621E+01 3.5771E+00 H2 4926 1.008000 0.423800 1.7500E+01 -1.1587E+01 3.8728E+00 O6 4927 15.999400 -0.847600 -2.4491E+00 -6.1129E+00 1.8057E+01 H1 4928 1.008000 0.423800 -1.5254E+00 -6.2544E+00 1.8413E+01 H2 4929 1.008000 0.423800 -2.8897E+00 -5.3692E+00 1.8559E+01 O6 4930 15.999400 -0.847600 1.7713E+01 6.5561E+00 1.4331E+01 H1 4931 1.008000 0.423800 1.7418E+01 5.6204E+00 1.4525E+01 H2 4932 1.008000 0.423800 1.8701E+01 6.5690E+00 1.4177E+01 O6 4933 15.999400 -0.847600 -8.8772E+00 -1.6067E+01 3.1432E+00 H1 4934 1.008000 0.423800 -8.7782E+00 -1.6154E+01 4.1345E+00 H2 4935 1.008000 0.423800 -8.3531E+00 -1.5277E+01 2.8240E+00 O6 4936 15.999400 -0.847600 -9.4543E+00 -1.3638E+01 1.5525E+01 H1 4937 1.008000 0.423800 -9.6757E+00 -1.2688E+01 1.5306E+01 H2 4938 1.008000 0.423800 -8.5972E+00 -1.3892E+01 1.5078E+01 O6 4939 15.999400 -0.847600 1.1979E+01 2.4983E+00 -1.1070E+01 H1 4940 1.008000 0.423800 1.2077E+01 1.5032E+00 -1.1083E+01 H2 4941 1.008000 0.423800 1.1014E+01 2.7363E+00 -1.0963E+01 O6 4942 15.999400 -0.847600 1.2423E+01 -3.3087E+00 1.1941E+01 H1 4943 1.008000 0.423800 1.1978E+01 -3.9629E+00 1.1330E+01 H2 4944 1.008000 0.423800 1.3313E+01 -3.6679E+00 1.2223E+01 O6 4945 15.999400 -0.847600 9.3242E+00 -1.6506E+01 1.3846E+01 H1 4946 1.008000 0.423800 8.5140E+00 -1.7087E+01 1.3767E+01 H2 4947 1.008000 0.423800 9.2691E+00 -1.5764E+01 1.3178E+01 O6 4948 15.999400 -0.847600 -3.3369E+00 3.3331E+00 4.3561E+00 H1 4949 1.008000 0.423800 -3.8767E+00 2.9540E+00 5.1077E+00 H2 4950 1.008000 0.423800 -2.5030E+00 3.7474E+00 4.7206E+00 O6 4951 15.999400 -0.847600 1.9203E+01 -1.1814E+01 -1.3226E+01 H1 4952 1.008000 0.423800 -1.9457E+01 -1.1181E+01 -1.3864E+01 H2 4953 1.008000 0.423800 1.9393E+01 -1.1527E+01 -1.2288E+01 O6 4954 15.999400 -0.847600 -8.1397E+00 -5.6980E+00 -3.8475E+00 H1 4955 1.008000 0.423800 -8.5589E+00 -5.7002E+00 -2.9396E+00 H2 4956 1.008000 0.423800 -7.6425E+00 -6.5543E+00 -3.9871E+00 O6 4957 15.999400 -0.847600 1.1824E+01 -1.6420E+01 1.7571E+01 H1 4958 1.008000 0.423800 1.1325E+01 -1.5978E+01 1.8316E+01 H2 4959 1.008000 0.423800 1.2565E+01 -1.6975E+01 1.7948E+01 O6 4960 15.999400 -0.847600 1.2961E+01 5.2433E+00 1.2503E+01 H1 4961 1.008000 0.423800 1.2637E+01 6.1527E+00 1.2241E+01 H2 4962 1.008000 0.423800 1.3662E+01 4.9407E+00 1.1858E+01 O6 4963 15.999400 -0.847600 9.0420E+00 -1.4589E+01 2.3360E+00 H1 4964 1.008000 0.423800 9.2138E+00 -1.5123E+01 1.5086E+00 H2 4965 1.008000 0.423800 8.7089E+00 -1.3680E+01 2.0827E+00 O6 4966 15.999400 -0.847600 5.6736E+00 -6.5401E+00 -1.0481E+01 H1 4967 1.008000 0.423800 6.4772E+00 -6.6010E+00 -9.8888E+00 H2 4968 1.008000 0.423800 4.8452E+00 -6.5552E+00 -9.9209E+00 O6 4969 15.999400 -0.847600 8.2026E+00 -1.2421E+01 1.8342E+01 H1 4970 1.008000 0.423800 8.7969E+00 -1.1824E+01 1.8882E+01 H2 4971 1.008000 0.423800 8.6881E+00 -1.2721E+01 1.7521E+01 O6 4972 15.999400 -0.847600 -1.0436E-01 1.5693E+01 -3.0408E+00 H1 4973 1.008000 0.423800 3.8704E-01 1.6466E+01 -2.6387E+00 H2 4974 1.008000 0.423800 4.3755E-01 1.5305E+01 -3.7862E+00 O6 4975 15.999400 -0.847600 -1.2969E+00 -9.4034E+00 -5.3114E+00 H1 4976 1.008000 0.423800 -1.6635E+00 -1.0333E+01 -5.3569E+00 H2 4977 1.008000 0.423800 -1.9972E+00 -8.7539E+00 -5.6076E+00 O6 4978 15.999400 -0.847600 -4.6677E+00 -7.4848E+00 1.7745E+01 H1 4979 1.008000 0.423800 -3.8201E+00 -6.9601E+00 1.7667E+01 H2 4980 1.008000 0.423800 -4.5100E+00 -8.4215E+00 1.7433E+01 O6 4981 15.999400 -0.847600 -1.8169E+01 2.1077E+00 1.3307E+01 H1 4982 1.008000 0.423800 -1.8870E+01 2.5540E+00 1.2751E+01 H2 4983 1.008000 0.423800 -1.8460E+01 2.0972E+00 1.4264E+01 O6 4984 15.999400 -0.847600 1.4914E+01 -1.4367E+00 9.0593E+00 H1 4985 1.008000 0.423800 1.4452E+01 -5.5099E-01 9.0169E+00 H2 4986 1.008000 0.423800 1.5679E+01 -1.4445E+00 8.4149E+00 O6 4987 15.999400 -0.847600 -2.1911E+00 6.4433E+00 -8.2183E+00 H1 4988 1.008000 0.423800 -2.5441E+00 7.2768E+00 -8.6433E+00 H2 4989 1.008000 0.423800 -1.2005E+00 6.5204E+00 -8.1055E+00 O6 4990 15.999400 -0.847600 1.4255E+00 -1.4119E+01 3.6817E+00 H1 4991 1.008000 0.423800 1.8981E+00 -1.3339E+01 4.0915E+00 H2 4992 1.008000 0.423800 9.2090E-01 -1.3816E+01 2.8733E+00 O6 4993 15.999400 -0.847600 -7.9298E+00 2.6812E-01 1.1109E+00 H1 4994 1.008000 0.423800 -7.6818E+00 9.3863E-01 1.8101E+00 H2 4995 1.008000 0.423800 -8.9008E+00 3.6037E-01 8.9027E-01 O6 4996 15.999400 -0.847600 -8.9038E+00 -1.2331E+01 5.9663E+00 H1 4997 1.008000 0.423800 -7.9773E+00 -1.2687E+01 6.0899E+00 H2 4998 1.008000 0.423800 -9.5397E+00 -1.2853E+01 6.5346E+00 O6 4999 15.999400 -0.847600 -7.6591E+00 1.5263E+01 1.4604E+01 H1 5000 1.008000 0.423800 -8.1590E+00 1.5848E+01 1.3965E+01 H2 5001 1.008000 0.423800 -7.6092E+00 1.5711E+01 1.5497E+01 O6 5002 15.999400 -0.847600 -2.9193E+00 -1.8060E+01 1.5280E+01 H1 5003 1.008000 0.423800 -3.7339E+00 -1.7599E+01 1.5632E+01 H2 5004 1.008000 0.423800 -2.6927E+00 -1.8834E+01 1.5870E+01 O6 5005 15.999400 -0.847600 -1.7571E+01 -9.5247E+00 -1.5228E+00 H1 5006 1.008000 0.423800 -1.7353E+01 -9.7174E+00 -2.4795E+00 H2 5007 1.008000 0.423800 -1.7596E+01 -8.5354E+00 -1.3795E+00 O6 5008 15.999400 -0.847600 1.0266E+01 -1.6323E+01 6.2478E+00 H1 5009 1.008000 0.423800 1.0005E+01 -1.6774E+01 7.1011E+00 H2 5010 1.008000 0.423800 9.4600E+00 -1.6216E+01 5.6663E+00 O6 5011 15.999400 -0.847600 1.2915E+01 1.1003E+01 -4.2518E+00 H1 5012 1.008000 0.423800 1.2043E+01 1.1359E+01 -4.5894E+00 H2 5013 1.008000 0.423800 1.2747E+01 1.0204E+01 -3.6738E+00 O6 5014 15.999400 -0.847600 -1.4640E+01 5.6833E+00 -1.6802E+01 H1 5015 1.008000 0.423800 -1.4668E+01 4.8319E+00 -1.6278E+01 H2 5016 1.008000 0.423800 -1.3724E+01 6.0803E+00 -1.6743E+01 O6 5017 15.999400 -0.847600 4.8741E+00 -9.3274E-01 -6.3141E+00 H1 5018 1.008000 0.423800 4.8458E+00 -5.2250E-01 -7.2257E+00 H2 5019 1.008000 0.423800 5.1141E+00 -2.3311E-01 -5.6411E+00 O6 5020 15.999400 -0.847600 -8.8426E+00 1.9927E+00 4.1340E+00 H1 5021 1.008000 0.423800 -7.8934E+00 1.8545E+00 3.8510E+00 H2 5022 1.008000 0.423800 -9.2368E+00 2.7531E+00 3.6178E+00 O6 5023 15.999400 -0.847600 9.6449E+00 -1.0728E+01 1.5338E+01 H1 5024 1.008000 0.423800 9.7015E+00 -1.1693E+01 1.5593E+01 H2 5025 1.008000 0.423800 1.0515E+01 -1.0437E+01 1.4940E+01 O6 5026 15.999400 -0.847600 -1.7938E+00 -1.5971E+01 -9.4106E+00 H1 5027 1.008000 0.423800 -8.6647E-01 -1.6176E+01 -9.7238E+00 H2 5028 1.008000 0.423800 -2.4553E+00 -1.6420E+01 -1.0011E+01 O6 5029 15.999400 -0.847600 -1.3179E+01 -2.5086E+00 1.4587E+00 H1 5030 1.008000 0.423800 -1.3494E+01 -2.4461E+00 2.4058E+00 H2 5031 1.008000 0.423800 -1.3432E+01 -1.6753E+00 9.6754E-01 O6 5032 15.999400 -0.847600 1.4730E+01 1.5231E+01 -1.7614E+01 H1 5033 1.008000 0.423800 1.5441E+01 1.5160E+01 -1.6915E+01 H2 5034 1.008000 0.423800 1.3830E+01 1.5206E+01 -1.7177E+01 O6 5035 15.999400 -0.847600 2.4832E+00 -1.2733E+01 1.1695E+00 H1 5036 1.008000 0.423800 1.9516E+00 -1.1951E+01 8.4474E-01 H2 5037 1.008000 0.423800 3.1068E+00 -1.2436E+01 1.8923E+00 O6 5038 15.999400 -0.847600 -1.8837E+01 -1.1669E+01 3.3231E+00 H1 5039 1.008000 0.423800 -1.8393E+01 -1.0897E+01 2.8695E+00 H2 5040 1.008000 0.423800 -1.8270E+01 -1.1979E+01 4.0862E+00 O6 5041 15.999400 -0.847600 -8.6295E+00 1.3822E+01 -4.5835E+00 H1 5042 1.008000 0.423800 -9.3911E+00 1.3183E+01 -4.6958E+00 H2 5043 1.008000 0.423800 -8.4850E+00 1.4000E+01 -3.6102E+00 O6 5044 15.999400 -0.847600 5.7986E+00 -1.8029E+01 1.9333E+01 H1 5045 1.008000 0.423800 5.9496E+00 -1.8872E+01 1.8816E+01 H2 5046 1.008000 0.423800 4.9952E+00 -1.8136E+01 -1.9179E+01 O6 5047 15.999400 -0.847600 9.5952E+00 -3.1424E+00 -1.3381E+01 H1 5048 1.008000 0.423800 9.5939E+00 -2.2319E+00 -1.2968E+01 H2 5049 1.008000 0.423800 8.7889E+00 -3.2450E+00 -1.3964E+01 O6 5050 15.999400 -0.847600 3.5550E+00 9.4522E-02 1.8553E+01 H1 5051 1.008000 0.423800 2.6155E+00 -8.9948E-02 1.8265E+01 H2 5052 1.008000 0.423800 3.9040E+00 -6.8653E-01 1.9071E+01 O6 5053 15.999400 -0.847600 -1.2078E+01 -9.2490E+00 -9.9038E-01 H1 5054 1.008000 0.423800 -1.1524E+01 -1.0016E+01 -6.6681E-01 H2 5055 1.008000 0.423800 -1.1820E+01 -9.0238E+00 -1.9297E+00 O6 5056 15.999400 -0.847600 -1.4961E+01 1.1174E+01 -7.2859E+00 H1 5057 1.008000 0.423800 -1.4446E+01 1.1183E+01 -8.1429E+00 H2 5058 1.008000 0.423800 -1.4464E+01 1.1697E+01 -6.5931E+00 O6 5059 15.999400 -0.847600 8.5981E+00 1.8482E+01 -6.0289E+00 H1 5060 1.008000 0.423800 8.9982E+00 1.9234E+01 -5.5042E+00 H2 5061 1.008000 0.423800 7.7166E+00 1.8230E+01 -5.6300E+00 O6 5062 15.999400 -0.847600 1.5152E+01 -2.9513E+00 1.5732E+01 H1 5063 1.008000 0.423800 1.4664E+01 -2.0997E+00 1.5539E+01 H2 5064 1.008000 0.423800 1.5803E+01 -3.1365E+00 1.4995E+01 O6 5065 15.999400 -0.847600 4.8419E+00 1.2484E+01 8.0619E+00 H1 5066 1.008000 0.423800 4.2958E+00 1.3293E+01 7.8465E+00 H2 5067 1.008000 0.423800 4.2971E+00 1.1851E+01 8.6124E+00 O6 5068 15.999400 -0.847600 -7.2294E+00 -1.9484E+01 8.8074E+00 H1 5069 1.008000 0.423800 -7.5963E+00 -1.8870E+01 8.1082E+00 H2 5070 1.008000 0.423800 -6.2571E+00 1.9456E+01 8.6353E+00 O6 5071 15.999400 -0.847600 1.2745E+01 8.5496E+00 6.6504E+00 H1 5072 1.008000 0.423800 1.2891E+01 9.3636E+00 7.2125E+00 H2 5073 1.008000 0.423800 1.2908E+01 8.7741E+00 5.6897E+00 O6 5074 15.999400 -0.847600 -1.7466E+01 -1.6600E+01 1.3115E+01 H1 5075 1.008000 0.423800 -1.7335E+01 -1.5968E+01 1.2351E+01 H2 5076 1.008000 0.423800 -1.7252E+01 -1.6134E+01 1.3974E+01 O6 5077 15.999400 -0.847600 1.2269E+01 -1.2251E+01 1.5056E+01 H1 5078 1.008000 0.423800 1.2037E+01 -1.3224E+01 1.5070E+01 H2 5079 1.008000 0.423800 1.2513E+01 -1.1953E+01 1.5979E+01 O6 5080 15.999400 -0.847600 -3.9869E+00 -4.0361E+00 9.6337E+00 H1 5081 1.008000 0.423800 -4.5176E+00 -4.6746E+00 9.0763E+00 H2 5082 1.008000 0.423800 -4.2902E+00 -4.0925E+00 1.0585E+01 O6 5083 15.999400 -0.847600 1.0977E+01 4.5295E+00 -1.8698E+01 H1 5084 1.008000 0.423800 1.0992E+01 4.4163E+00 1.9407E+01 H2 5085 1.008000 0.423800 1.0149E+01 5.0219E+00 -1.8430E+01 O6 5086 15.999400 -0.847600 -1.0842E+01 -1.1756E+01 1.8618E+01 H1 5087 1.008000 0.423800 -1.0427E+01 -1.2625E+01 1.8889E+01 H2 5088 1.008000 0.423800 -1.1586E+01 -1.1929E+01 1.7973E+01 O6 5089 15.999400 -0.847600 -3.5801E+00 -4.3567E+00 -1.9356E+01 H1 5090 1.008000 0.423800 -4.2299E+00 -3.6914E+00 1.9374E+01 H2 5091 1.008000 0.423800 -3.7765E+00 -4.5149E+00 -1.8389E+01 O6 5092 15.999400 -0.847600 -1.0820E+01 -1.6205E+01 7.8362E+00 H1 5093 1.008000 0.423800 -1.1375E+01 -1.6509E+01 8.6103E+00 H2 5094 1.008000 0.423800 -1.1066E+01 -1.5265E+01 7.5990E+00 O6 5095 15.999400 -0.847600 -5.0317E+00 -1.0462E+01 -1.1156E+01 H1 5096 1.008000 0.423800 -5.1962E+00 -9.7181E+00 -1.1803E+01 H2 5097 1.008000 0.423800 -5.2064E+00 -1.0139E+01 -1.0226E+01 O6 5098 15.999400 -0.847600 7.4066E+00 1.8511E+01 -1.4108E+01 H1 5099 1.008000 0.423800 6.6834E+00 1.8108E+01 -1.4669E+01 H2 5100 1.008000 0.423800 7.0367E+00 1.8752E+01 -1.3211E+01 O6 5101 15.999400 -0.847600 1.1155E+01 -1.6675E+00 -8.9087E+00 H1 5102 1.008000 0.423800 1.1476E+01 -1.8845E+00 -7.9870E+00 H2 5103 1.008000 0.423800 1.0825E+01 -2.5013E+00 -9.3517E+00 O6 5104 15.999400 -0.847600 7.0846E+00 8.0894E+00 -1.5458E+01 H1 5105 1.008000 0.423800 6.9012E+00 9.0601E+00 -1.5302E+01 H2 5106 1.008000 0.423800 7.2138E+00 7.6300E+00 -1.4579E+01 O6 5107 15.999400 -0.847600 7.9972E-01 5.2550E+00 -1.4446E+01 H1 5108 1.008000 0.423800 1.1806E+00 4.8986E+00 -1.5299E+01 H2 5109 1.008000 0.423800 1.4122E+00 5.9520E+00 -1.4073E+01 O6 5110 15.999400 -0.847600 -1.3671E+01 1.2436E+01 -4.9138E+00 H1 5111 1.008000 0.423800 -1.4077E+01 1.2988E+01 -4.1855E+00 H2 5112 1.008000 0.423800 -1.3105E+01 1.3018E+01 -5.4966E+00 O6 5113 15.999400 -0.847600 1.3323E+01 1.8020E+01 -6.0256E+00 H1 5114 1.008000 0.423800 1.3609E+01 1.7689E+01 -5.1268E+00 H2 5115 1.008000 0.423800 1.3842E+01 1.7547E+01 -6.7368E+00 O6 5116 15.999400 -0.847600 1.6750E+01 1.6311E+01 7.1877E+00 H1 5117 1.008000 0.423800 1.6713E+01 1.5894E+01 8.0962E+00 H2 5118 1.008000 0.423800 1.7694E+01 1.6307E+01 6.8573E+00 O6 5119 15.999400 -0.847600 1.4807E+00 -9.5956E+00 -9.8796E+00 H1 5120 1.008000 0.423800 5.4202E-01 -9.6566E+00 -1.0219E+01 H2 5121 1.008000 0.423800 2.0555E+00 -1.0251E+01 -1.0369E+01 O6 5122 15.999400 -0.847600 -8.6554E-01 1.0785E+01 -1.5119E+00 H1 5123 1.008000 0.423800 -6.7841E-01 9.8454E+00 -1.2255E+00 H2 5124 1.008000 0.423800 -5.4945E-01 1.0916E+01 -2.4515E+00 O6 5125 15.999400 -0.847600 5.2271E-01 -3.4617E+00 8.9202E+00 H1 5126 1.008000 0.423800 6.3964E-01 -4.1654E+00 8.2194E+00 H2 5127 1.008000 0.423800 2.2404E-01 -3.8880E+00 9.7741E+00 O6 5128 15.999400 -0.847600 -1.0723E+01 1.2589E+01 -8.0183E+00 H1 5129 1.008000 0.423800 -1.1449E+01 1.2941E+01 -8.6086E+00 H2 5130 1.008000 0.423800 -9.9853E+00 1.3262E+01 -7.9599E+00 O6 5131 15.999400 -0.847600 -2.0934E+00 5.7775E+00 1.5923E+01 H1 5132 1.008000 0.423800 -2.9012E+00 6.1998E+00 1.6335E+01 H2 5133 1.008000 0.423800 -2.3746E+00 5.0040E+00 1.5355E+01 O6 5134 15.999400 -0.847600 -1.5275E+01 -1.2086E+01 1.0120E+01 H1 5135 1.008000 0.423800 -1.5899E+01 -1.1513E+01 9.5885E+00 H2 5136 1.008000 0.423800 -1.5052E+01 -1.2909E+01 9.5971E+00 O6 5137 15.999400 -0.847600 1.1264E+01 9.0098E+00 -7.7312E+00 H1 5138 1.008000 0.423800 1.1161E+01 9.9991E+00 -7.6274E+00 H2 5139 1.008000 0.423800 1.2167E+01 8.7325E+00 -7.4018E+00 O6 5140 15.999400 -0.847600 -5.4816E-01 1.8654E+01 1.6410E+01 H1 5141 1.008000 0.423800 1.9615E-01 1.8041E+01 1.6676E+01 H2 5142 1.008000 0.423800 -7.2916E-01 1.9299E+01 1.7153E+01 O6 5143 15.999400 -0.847600 7.7611E+00 -9.8368E+00 5.9957E+00 H1 5144 1.008000 0.423800 8.0899E+00 -9.3072E+00 5.2137E+00 H2 5145 1.008000 0.423800 7.2320E+00 -9.2429E+00 6.6017E+00 O6 5146 15.999400 -0.847600 1.5230E+01 -1.9138E+01 -1.5317E+01 H1 5147 1.008000 0.423800 1.5119E+01 -1.8841E+01 -1.6265E+01 H2 5148 1.008000 0.423800 1.6184E+01 -1.9395E+01 -1.5157E+01 O6 5149 15.999400 -0.847600 -3.6206E-04 -4.1795E+00 -1.2971E+01 H1 5150 1.008000 0.423800 -1.0960E-02 -3.2757E+00 -1.3398E+01 H2 5151 1.008000 0.423800 -5.1044E-01 -4.1475E+00 -1.2111E+01 O6 5152 15.999400 -0.847600 -1.9277E+01 3.2737E+00 9.2187E+00 H1 5153 1.008000 0.423800 -1.8367E+01 3.6813E+00 9.1515E+00 H2 5154 1.008000 0.423800 1.9164E+01 3.9697E+00 9.5106E+00 O6 5155 15.999400 -0.847600 -1.1907E+01 -1.6601E+01 -1.2910E+01 H1 5156 1.008000 0.423800 -1.1258E+01 -1.7359E+01 -1.2840E+01 H2 5157 1.008000 0.423800 -1.1407E+01 -1.5746E+01 -1.3047E+01 O6 5158 15.999400 -0.847600 1.5088E+01 3.7588E+00 -1.4653E+01 H1 5159 1.008000 0.423800 1.5378E+01 4.1738E+00 -1.5516E+01 H2 5160 1.008000 0.423800 1.5617E+01 4.1494E+00 -1.3900E+01 O6 5161 15.999400 -0.847600 -4.6495E+00 6.3820E+00 1.0261E+01 H1 5162 1.008000 0.423800 -5.0372E+00 6.3334E+00 9.3402E+00 H2 5163 1.008000 0.423800 -4.5723E+00 7.3392E+00 1.0540E+01 O6 5164 15.999400 -0.847600 1.2242E+00 2.4416E+00 1.5869E+01 H1 5165 1.008000 0.423800 1.3069E+00 3.2313E+00 1.6477E+01 H2 5166 1.008000 0.423800 2.5719E-01 2.2507E+00 1.5700E+01 O6 5167 15.999400 -0.847600 9.3586E+00 7.3775E+00 3.0566E-01 H1 5168 1.008000 0.423800 9.1407E+00 6.4061E+00 4.0017E-01 H2 5169 1.008000 0.423800 9.2868E+00 7.6431E+00 -6.5573E-01 O6 5170 15.999400 -0.847600 1.5858E+01 -1.0748E+01 -1.2881E+01 H1 5171 1.008000 0.423800 1.6732E+01 -1.0278E+01 -1.2999E+01 H2 5172 1.008000 0.423800 1.5115E+01 -1.0079E+01 -1.2901E+01 O6 5173 15.999400 -0.847600 -1.0599E+01 1.4748E+01 -1.1709E+01 H1 5174 1.008000 0.423800 -1.0358E+01 1.5333E+01 -1.0934E+01 H2 5175 1.008000 0.423800 -1.1152E+01 1.5267E+01 -1.2360E+01 O6 5176 15.999400 -0.847600 -3.6943E+00 1.7011E+01 1.4103E+01 H1 5177 1.008000 0.423800 -4.1431E+00 1.7620E+01 1.4757E+01 H2 5178 1.008000 0.423800 -3.1207E+00 1.7550E+01 1.3486E+01 O6 5179 15.999400 -0.847600 7.7056E+00 9.8002E+00 -4.6612E+00 H1 5180 1.008000 0.423800 7.8550E+00 9.0161E+00 -5.2636E+00 H2 5181 1.008000 0.423800 7.6975E+00 9.4927E+00 -3.7097E+00 O6 5182 15.999400 -0.847600 1.2399E+01 -5.8851E+00 7.5549E+00 H1 5183 1.008000 0.423800 1.2727E+01 -6.7017E+00 7.0795E+00 H2 5184 1.008000 0.423800 1.2643E+01 -5.0718E+00 7.0264E+00 O6 5185 15.999400 -0.847600 -1.9494E+01 1.0638E+01 1.4052E+01 H1 5186 1.008000 0.423800 -1.8885E+01 1.0484E+01 1.4830E+01 H2 5187 1.008000 0.423800 -1.9052E+01 1.0318E+01 1.3214E+01 O6 5188 15.999400 -0.847600 1.6012E+01 5.8606E+00 7.5205E+00 H1 5189 1.008000 0.423800 1.5287E+01 6.1863E+00 8.1283E+00 H2 5190 1.008000 0.423800 1.5911E+01 4.8757E+00 7.3798E+00 O6 5191 15.999400 -0.847600 7.6338E+00 -1.2569E+01 5.8804E+00 H1 5192 1.008000 0.423800 7.7962E+00 -1.1598E+01 5.7081E+00 H2 5193 1.008000 0.423800 8.4275E+00 -1.2963E+01 6.3444E+00 O6 5194 15.999400 -0.847600 -1.7579E+01 -2.2285E+00 9.6584E+00 H1 5195 1.008000 0.423800 -1.8098E+01 -1.5816E+00 9.0991E+00 H2 5196 1.008000 0.423800 -1.7168E+01 -1.7455E+00 1.0431E+01 O6 5197 15.999400 -0.847600 -1.1912E+01 3.3352E+00 -1.3448E+01 H1 5198 1.008000 0.423800 -1.2707E+01 2.9811E+00 -1.3941E+01 H2 5199 1.008000 0.423800 -1.1235E+01 2.6067E+00 -1.3339E+01 O6 5200 15.999400 -0.847600 1.5440E+01 -1.3885E+01 3.9905E+00 H1 5201 1.008000 0.423800 1.6293E+01 -1.3407E+01 3.7839E+00 H2 5202 1.008000 0.423800 1.5053E+01 -1.3525E+01 4.8396E+00 O6 5203 15.999400 -0.847600 9.9032E+00 -1.7867E+01 -1.7197E+01 H1 5204 1.008000 0.423800 1.0320E+01 -1.8551E+01 -1.6598E+01 H2 5205 1.008000 0.423800 8.9655E+00 -1.7690E+01 -1.6898E+01 O6 5206 15.999400 -0.847600 -4.4034E+00 -1.0079E+01 4.0934E+00 H1 5207 1.008000 0.423800 -4.1986E+00 -9.1061E+00 3.9891E+00 H2 5208 1.008000 0.423800 -5.2927E+00 -1.0279E+01 3.6819E+00 O6 5209 15.999400 -0.847600 -1.9100E+01 -2.5530E+00 4.9010E+00 H1 5210 1.008000 0.423800 1.9351E+01 -3.1762E+00 5.3408E+00 H2 5211 1.008000 0.423800 -1.8167E+01 -2.8769E+00 5.0567E+00 O6 5212 15.999400 -0.847600 -1.4107E+01 5.9620E+00 1.0234E+01 H1 5213 1.008000 0.423800 -1.3316E+01 6.5515E+00 1.0067E+01 H2 5214 1.008000 0.423800 -1.4403E+01 5.5507E+00 9.3717E+00 O6 5215 15.999400 -0.847600 1.0743E+01 -7.1607E+00 2.9032E+00 H1 5216 1.008000 0.423800 1.1477E+01 -7.7532E+00 2.5728E+00 H2 5217 1.008000 0.423800 9.9385E+00 -7.7151E+00 3.1180E+00 O6 5218 15.999400 -0.847600 6.2847E-01 -5.9869E+00 -1.4926E+01 H1 5219 1.008000 0.423800 6.9848E-01 -5.3221E+00 -1.4182E+01 H2 5220 1.008000 0.423800 -5.2605E-02 -6.6801E+00 -1.4690E+01 O6 5221 15.999400 -0.847600 -2.4538E+00 1.7588E+01 -1.7687E+00 H1 5222 1.008000 0.423800 -1.4645E+00 1.7691E+01 -1.6648E+00 H2 5223 1.008000 0.423800 -2.6523E+00 1.7130E+01 -2.6352E+00 O6 5224 15.999400 -0.847600 -1.0321E+01 -5.1980E+00 -3.3124E-01 H1 5225 1.008000 0.423800 -1.0847E+01 -5.8572E+00 2.0596E-01 H2 5226 1.008000 0.423800 -1.0538E+01 -5.3094E+00 -1.3010E+00 O6 5227 15.999400 -0.847600 -6.3086E+00 1.4230E+01 -8.5947E+00 H1 5228 1.008000 0.423800 -5.4401E+00 1.3994E+01 -8.1585E+00 H2 5229 1.008000 0.423800 -6.1323E+00 1.4627E+01 -9.4952E+00 O6 5230 15.999400 -0.847600 -2.7243E+00 1.9205E+01 -1.0132E+01 H1 5231 1.008000 0.423800 -2.3834E+00 -1.9292E+01 -1.0856E+01 H2 5232 1.008000 0.423800 -3.6514E+00 1.8905E+01 -1.0357E+01 O6 5233 15.999400 -0.847600 -1.4472E+01 4.5518E+00 1.4915E+01 H1 5234 1.008000 0.423800 -1.4066E+01 4.3753E+00 1.4019E+01 H2 5235 1.008000 0.423800 -1.3755E+01 4.8232E+00 1.5558E+01 O6 5236 15.999400 -0.847600 2.5312E+00 -1.6220E+01 -5.5017E+00 H1 5237 1.008000 0.423800 1.8708E+00 -1.5852E+01 -4.8470E+00 H2 5238 1.008000 0.423800 2.1561E+00 -1.7044E+01 -5.9260E+00 O6 5239 15.999400 -0.847600 1.5825E+01 -1.7519E+00 1.1490E+01 H1 5240 1.008000 0.423800 1.5916E+01 -8.3548E-01 1.1879E+01 H2 5241 1.008000 0.423800 1.5623E+01 -1.6800E+00 1.0513E+01 O6 5242 15.999400 -0.847600 4.1323E+00 -1.9561E+00 -1.8824E+01 H1 5243 1.008000 0.423800 3.6079E+00 -1.6271E+00 -1.8039E+01 H2 5244 1.008000 0.423800 4.8492E+00 -2.5781E+00 -1.8509E+01 O6 5245 15.999400 -0.847600 1.7561E+01 -1.5348E+01 -7.4971E+00 H1 5246 1.008000 0.423800 1.6600E+01 -1.5195E+01 -7.7247E+00 H2 5247 1.008000 0.423800 1.8083E+01 -1.4515E+01 -7.6801E+00 O6 5248 15.999400 -0.847600 -1.7455E+01 -1.8322E+01 3.3334E+00 H1 5249 1.008000 0.423800 -1.7949E+01 -1.7812E+01 2.6292E+00 H2 5250 1.008000 0.423800 -1.6600E+01 -1.7849E+01 3.5483E+00 O6 5251 15.999400 -0.847600 -1.7037E+01 -5.1183E+00 -8.6313E+00 H1 5252 1.008000 0.423800 -1.7349E+01 -4.7852E+00 -9.5211E+00 H2 5253 1.008000 0.423800 -1.6043E+01 -5.2228E+00 -8.6445E+00 O6 5254 15.999400 -0.847600 2.2235E+00 6.1393E+00 1.9025E+01 H1 5255 1.008000 0.423800 3.1430E+00 6.4730E+00 1.9233E+01 H2 5256 1.008000 0.423800 1.7330E+00 5.9607E+00 -1.9219E+01 O6 5257 15.999400 -0.847600 -1.7220E+01 1.9345E+01 -1.5140E+01 H1 5258 1.008000 0.423800 -1.6586E+01 1.8652E+01 -1.4796E+01 H2 5259 1.008000 0.423800 -1.6704E+01 -1.8956E+01 -1.5456E+01 O6 5260 15.999400 -0.847600 1.1848E+01 1.6431E+00 6.7394E+00 H1 5261 1.008000 0.423800 1.2224E+01 1.9162E+00 5.8539E+00 H2 5262 1.008000 0.423800 1.1064E+01 2.2220E+00 6.9613E+00 O6 5263 15.999400 -0.847600 5.9051E+00 9.0015E+00 -1.0656E+01 H1 5264 1.008000 0.423800 6.1157E+00 8.1223E+00 -1.1083E+01 H2 5265 1.008000 0.423800 6.7139E+00 9.3409E+00 -1.0176E+01 O6 5266 15.999400 -0.847600 4.0864E+00 -7.3589E+00 -9.0867E-01 H1 5267 1.008000 0.423800 4.8116E+00 -6.9549E+00 -1.4663E+00 H2 5268 1.008000 0.423800 4.0486E+00 -8.3443E+00 -1.0742E+00 O6 5269 15.999400 -0.847600 9.8798E-01 -8.8146E+00 5.1485E+00 H1 5270 1.008000 0.423800 1.6399E+00 -8.9650E+00 5.8917E+00 H2 5271 1.008000 0.423800 6.3969E-02 -8.7455E+00 5.5245E+00 O6 5272 15.999400 -0.847600 8.6285E+00 -8.0518E-02 1.2540E+01 H1 5273 1.008000 0.423800 8.2899E+00 -1.0145E+00 1.2426E+01 H2 5274 1.008000 0.423800 9.4037E+00 -8.1822E-02 1.3172E+01 O6 5275 15.999400 -0.847600 -1.4965E+01 -7.8943E+00 -1.3978E+01 H1 5276 1.008000 0.423800 -1.5261E+01 -8.1409E+00 -1.3055E+01 H2 5277 1.008000 0.423800 -1.5455E+01 -8.4554E+00 -1.4646E+01 O6 5278 15.999400 -0.847600 1.2401E+01 -1.4284E+00 2.0882E+00 H1 5279 1.008000 0.423800 1.2346E+01 -2.3583E+00 1.7246E+00 H2 5280 1.008000 0.423800 1.3142E+01 -9.3570E-01 1.6316E+00 O6 5281 15.999400 -0.847600 1.8466E+01 -1.5639E+01 -1.6609E+01 H1 5282 1.008000 0.423800 1.8571E+01 -1.5170E+01 -1.5732E+01 H2 5283 1.008000 0.423800 1.9362E+01 -1.5744E+01 -1.7040E+01 O6 5284 15.999400 -0.847600 -1.4828E+01 -5.1341E+00 6.3742E+00 H1 5285 1.008000 0.423800 -1.5125E+01 -4.9587E+00 7.3128E+00 H2 5286 1.008000 0.423800 -1.4216E+01 -5.9250E+00 6.3607E+00 O6 5287 15.999400 -0.847600 3.9287E+00 -1.3666E+01 -1.4111E+01 H1 5288 1.008000 0.423800 4.5422E+00 -1.2879E+01 -1.4045E+01 H2 5289 1.008000 0.423800 4.4555E+00 -1.4479E+01 -1.4357E+01 O6 5290 15.999400 -0.847600 1.5122E+01 -8.5279E+00 -1.6314E+01 H1 5291 1.008000 0.423800 1.5083E+01 -7.9932E+00 -1.7158E+01 H2 5292 1.008000 0.423800 1.4943E+01 -9.4899E+00 -1.6520E+01 O6 5293 15.999400 -0.847600 1.7035E+01 -1.7330E+01 1.9443E+01 H1 5294 1.008000 0.423800 1.6217E+01 -1.7523E+01 -1.9112E+01 H2 5295 1.008000 0.423800 1.7385E+01 -1.6424E+01 -1.9418E+01 O6 5296 15.999400 -0.847600 9.5895E+00 3.5949E-01 -9.7737E+00 H1 5297 1.008000 0.423800 1.0109E+01 -4.6713E-01 -9.5567E+00 H2 5298 1.008000 0.423800 8.6289E+00 2.2289E-01 -9.5315E+00 O6 5299 15.999400 -0.847600 -7.3649E+00 2.5231E+00 -5.5592E+00 H1 5300 1.008000 0.423800 -7.0576E+00 3.4683E+00 -5.4485E+00 H2 5301 1.008000 0.423800 -6.8079E+00 2.0711E+00 -6.2559E+00 O6 5302 15.999400 -0.847600 4.5862E+00 5.4485E+00 5.8789E+00 H1 5303 1.008000 0.423800 5.4683E+00 5.2752E+00 6.3168E+00 H2 5304 1.008000 0.423800 4.1577E+00 4.5781E+00 5.6364E+00 O6 5305 15.999400 -0.847600 -1.5811E+01 -1.7073E+01 -5.0583E+00 H1 5306 1.008000 0.423800 -1.5688E+01 -1.7736E+01 -4.3198E+00 H2 5307 1.008000 0.423800 -1.6265E+01 -1.7515E+01 -5.8315E+00 O6 5308 15.999400 -0.847600 -1.1282E+00 -1.2880E+01 1.0553E+01 H1 5309 1.008000 0.423800 -1.3232E+00 -1.1904E+01 1.0656E+01 H2 5310 1.008000 0.423800 -1.9040E+00 -1.3330E+01 1.0111E+01 O6 5311 15.999400 -0.847600 -9.9281E+00 -1.4301E+01 1.9441E+01 H1 5312 1.008000 0.423800 -9.6247E+00 -1.4937E+01 1.8732E+01 H2 5313 1.008000 0.423800 -1.0473E+01 -1.4793E+01 -1.8978E+01 O6 5314 15.999400 -0.847600 2.6638E+00 -8.0386E-01 -1.6950E+01 H1 5315 1.008000 0.423800 1.6946E+00 -6.9495E-01 -1.7171E+01 H2 5316 1.008000 0.423800 2.7554E+00 -1.3165E+00 -1.6096E+01 O6 5317 15.999400 -0.847600 -1.3791E+01 1.2545E+01 -1.1316E+01 H1 5318 1.008000 0.423800 -1.4114E+01 1.1688E+01 -1.0913E+01 H2 5319 1.008000 0.423800 -1.3143E+01 1.2344E+01 -1.2051E+01 O6 5320 15.999400 -0.847600 -1.1085E+01 1.7333E+01 -1.7616E+01 H1 5321 1.008000 0.423800 -1.2042E+01 1.7609E+01 -1.7521E+01 H2 5322 1.008000 0.423800 -1.0628E+01 1.7406E+01 -1.6729E+01 O6 5323 15.999400 -0.847600 -2.5652E+00 6.7851E+00 -1.6055E+00 H1 5324 1.008000 0.423800 -2.6218E+00 5.8708E+00 -1.2045E+00 H2 5325 1.008000 0.423800 -3.1783E+00 6.8421E+00 -2.3934E+00 O6 5326 15.999400 -0.847600 -1.4328E+01 -4.4511E+00 -9.3150E+00 H1 5327 1.008000 0.423800 -1.3879E+01 -3.7788E+00 -8.7263E+00 H2 5328 1.008000 0.423800 -1.3970E+01 -4.3717E+00 -1.0245E+01 O6 5329 15.999400 -0.847600 5.2895E+00 -1.1093E+01 8.7424E-01 H1 5330 1.008000 0.423800 4.5011E+00 -1.0932E+01 2.8041E-01 H2 5331 1.008000 0.423800 4.9932E+00 -1.1091E+01 1.8293E+00 O6 5332 15.999400 -0.847600 -5.3850E-02 5.2561E+00 1.1020E+01 H1 5333 1.008000 0.423800 1.8102E-01 4.3302E+00 1.1316E+01 H2 5334 1.008000 0.423800 4.6494E-01 5.9199E+00 1.1558E+01 O6 5335 15.999400 -0.847600 -1.8626E+01 -4.3771E+00 1.0719E+01 H1 5336 1.008000 0.423800 1.9477E+01 -4.4622E+00 1.0667E+01 H2 5337 1.008000 0.423800 -1.8340E+01 -3.5298E+00 1.0271E+01 O6 5338 15.999400 -0.847600 -1.3627E+01 -2.5962E+00 -2.2654E+00 H1 5339 1.008000 0.423800 -1.4592E+01 -2.5011E+00 -2.0230E+00 H2 5340 1.008000 0.423800 -1.3510E+01 -3.3879E+00 -2.8651E+00 O6 5341 15.999400 -0.847600 -1.7021E+01 -1.2935E+01 -1.2122E+01 H1 5342 1.008000 0.423800 -1.7857E+01 -1.2727E+01 -1.1614E+01 H2 5343 1.008000 0.423800 -1.6666E+01 -1.3823E+01 -1.1829E+01 O6 5344 15.999400 -0.847600 -1.2842E+01 -7.8296E+00 -1.5598E+01 H1 5345 1.008000 0.423800 -1.2604E+01 -6.8777E+00 -1.5791E+01 H2 5346 1.008000 0.423800 -1.3535E+01 -7.8606E+00 -1.4878E+01 O6 5347 15.999400 -0.847600 1.7843E+01 6.3107E+00 -1.5152E+01 H1 5348 1.008000 0.423800 1.8743E+01 5.9700E+00 -1.4879E+01 H2 5349 1.008000 0.423800 1.7261E+01 6.3997E+00 -1.4344E+01 O6 5350 15.999400 -0.847600 -1.0331E+01 -1.7838E+01 1.5487E+01 H1 5351 1.008000 0.423800 -1.1139E+01 -1.8197E+01 1.5954E+01 H2 5352 1.008000 0.423800 -1.0245E+01 -1.6860E+01 1.5675E+01 O6 5353 15.999400 -0.847600 1.3564E+01 -1.5967E+01 7.8501E+00 H1 5354 1.008000 0.423800 1.4559E+01 -1.6073E+01 7.8465E+00 H2 5355 1.008000 0.423800 1.3219E+01 -1.6032E+01 6.9140E+00 O6 5356 15.999400 -0.847600 7.2999E+00 1.6855E+01 -4.4803E-02 H1 5357 1.008000 0.423800 7.8558E+00 1.6128E+01 3.5920E-01 H2 5358 1.008000 0.423800 7.2983E+00 1.6759E+01 -1.0402E+00 O6 5359 15.999400 -0.847600 1.1700E+01 1.0841E+01 1.6916E+01 H1 5360 1.008000 0.423800 1.1746E+01 1.1576E+01 1.6239E+01 H2 5361 1.008000 0.423800 1.0938E+01 1.1011E+01 1.7540E+01 O6 5362 15.999400 -0.847600 -1.7165E+01 -1.9081E+01 8.9397E+00 H1 5363 1.008000 0.423800 -1.7112E+01 -1.9031E+01 9.9370E+00 H2 5364 1.008000 0.423800 -1.8118E+01 -1.9207E+01 8.6628E+00 O6 5365 15.999400 -0.847600 -9.0734E+00 -9.7467E+00 6.7124E+00 H1 5366 1.008000 0.423800 -8.8700E+00 -1.0712E+01 6.5462E+00 H2 5367 1.008000 0.423800 -8.7110E+00 -9.4787E+00 7.6051E+00 O6 5368 15.999400 -0.847600 1.0408E+01 1.1262E+01 5.1361E+00 H1 5369 1.008000 0.423800 1.0613E+01 1.1336E+01 6.1122E+00 H2 5370 1.008000 0.423800 9.4454E+00 1.1482E+01 4.9797E+00 O6 5371 15.999400 -0.847600 1.4963E+01 -1.0805E+00 -7.3807E+00 H1 5372 1.008000 0.423800 1.4216E+01 -5.8858E-01 -6.9335E+00 H2 5373 1.008000 0.423800 1.4910E+01 -9.3901E-01 -8.3692E+00 O6 5374 15.999400 -0.847600 -1.9306E+01 -3.6422E+00 1.9078E+01 H1 5375 1.008000 0.423800 -1.8918E+01 -3.1579E+00 1.8294E+01 H2 5376 1.008000 0.423800 1.8878E+01 -3.9752E+00 1.8846E+01 O6 5377 15.999400 -0.847600 1.5945E+00 3.6788E+00 -1.6488E+01 H1 5378 1.008000 0.423800 2.4019E+00 3.0963E+00 -1.6394E+01 H2 5379 1.008000 0.423800 1.2199E+00 3.5828E+00 -1.7410E+01 O6 5380 15.999400 -0.847600 5.7340E+00 3.1106E+00 1.0401E+01 H1 5381 1.008000 0.423800 5.2475E+00 2.5412E+00 9.7387E+00 H2 5382 1.008000 0.423800 6.0720E+00 2.5378E+00 1.1148E+01 O6 5383 15.999400 -0.847600 1.6445E+01 1.4083E+01 -9.2965E+00 H1 5384 1.008000 0.423800 1.5927E+01 1.3600E+01 -1.0002E+01 H2 5385 1.008000 0.423800 1.6685E+01 1.4996E+01 -9.6255E+00 O6 5386 15.999400 -0.847600 1.6650E+01 -7.5251E+00 1.2274E+01 H1 5387 1.008000 0.423800 1.6565E+01 -7.9833E+00 1.1390E+01 H2 5388 1.008000 0.423800 1.7522E+01 -7.7736E+00 1.2696E+01 O6 5389 15.999400 -0.847600 -1.0366E+01 5.2442E+00 1.8746E+01 H1 5390 1.008000 0.423800 -1.0355E+01 6.0909E+00 1.9278E+01 H2 5391 1.008000 0.423800 -9.5936E+00 5.2389E+00 1.8111E+01 O6 5392 15.999400 -0.847600 -9.4912E+00 -5.1027E-01 -3.7266E+00 H1 5393 1.008000 0.423800 -8.7587E+00 -1.0429E+00 -4.1504E+00 H2 5394 1.008000 0.423800 -9.1026E+00 2.9811E-01 -3.2845E+00 O6 5395 15.999400 -0.847600 5.1932E+00 1.0606E+01 1.2272E+00 H1 5396 1.008000 0.423800 5.4755E+00 9.7225E+00 8.5440E-01 H2 5397 1.008000 0.423800 5.7833E+00 1.1326E+01 8.6157E-01 O6 5398 15.999400 -0.847600 1.0650E+01 1.5083E+01 1.7856E+01 H1 5399 1.008000 0.423800 1.0350E+01 1.4133E+01 1.7940E+01 H2 5400 1.008000 0.423800 1.1642E+01 1.5130E+01 1.7970E+01 O6 5401 15.999400 -0.847600 4.0789E+00 1.1574E+01 -8.0724E+00 H1 5402 1.008000 0.423800 3.4009E+00 1.0904E+01 -7.7700E+00 H2 5403 1.008000 0.423800 4.9383E+00 1.1422E+01 -7.5843E+00 O6 5404 15.999400 -0.847600 7.0163E+00 1.2182E+01 -1.8274E+01 H1 5405 1.008000 0.423800 7.2458E+00 1.1702E+01 -1.7427E+01 H2 5406 1.008000 0.423800 6.0234E+00 1.2194E+01 -1.8391E+01 O6 5407 15.999400 -0.847600 2.5418E+00 -6.9495E+00 1.6310E+01 H1 5408 1.008000 0.423800 3.3279E+00 -7.5414E+00 1.6131E+01 H2 5409 1.008000 0.423800 2.1863E+00 -6.5980E+00 1.5443E+01 O6 5410 15.999400 -0.847600 1.4325E+01 6.3332E+00 -1.1448E+01 H1 5411 1.008000 0.423800 1.4677E+01 7.1053E+00 -1.0919E+01 H2 5412 1.008000 0.423800 1.3389E+01 6.5281E+00 -1.1739E+01 O6 5413 15.999400 -0.847600 7.2830E+00 -1.5407E+01 8.6542E+00 H1 5414 1.008000 0.423800 6.2951E+00 -1.5485E+01 8.5200E+00 H2 5415 1.008000 0.423800 7.5111E+00 -1.4467E+01 8.9088E+00 O6 5416 15.999400 -0.847600 -8.8383E+00 6.0298E+00 2.9846E-01 H1 5417 1.008000 0.423800 -8.8665E+00 6.7230E+00 -4.2177E-01 H2 5418 1.008000 0.423800 -9.6787E+00 6.0759E+00 8.3842E-01 O6 5419 15.999400 -0.847600 9.4520E+00 8.0548E+00 -1.7261E+01 H1 5420 1.008000 0.423800 8.5754E+00 8.4247E+00 -1.6954E+01 H2 5421 1.008000 0.423800 9.2924E+00 7.2424E+00 -1.7822E+01 O6 5422 15.999400 -0.847600 1.0919E+01 1.6559E+01 -5.7551E+00 H1 5423 1.008000 0.423800 1.0123E+01 1.7123E+01 -5.5357E+00 H2 5424 1.008000 0.423800 1.1737E+01 1.7133E+01 -5.7834E+00 O6 5425 15.999400 -0.847600 3.2496E+00 1.8655E+01 7.5107E+00 H1 5426 1.008000 0.423800 3.9095E+00 1.7904E+01 7.5266E+00 H2 5427 1.008000 0.423800 3.7284E+00 1.9522E+01 7.6484E+00 O6 5428 15.999400 -0.847600 1.5491E+01 -1.7286E+01 5.2049E+00 H1 5429 1.008000 0.423800 1.5043E+01 -1.8180E+01 5.1674E+00 H2 5430 1.008000 0.423800 1.4828E+01 -1.6571E+01 4.9822E+00 O6 5431 15.999400 -0.847600 -1.7559E+01 -7.4862E+00 2.3104E+00 H1 5432 1.008000 0.423800 -1.7147E+01 -6.9584E+00 3.0532E+00 H2 5433 1.008000 0.423800 -1.8224E+01 -6.9175E+00 1.8264E+00 O6 5434 15.999400 -0.847600 1.1854E+01 9.1734E+00 3.5273E+00 H1 5435 1.008000 0.423800 1.1069E+01 9.6932E+00 3.8640E+00 H2 5436 1.008000 0.423800 1.2224E+01 9.6190E+00 2.7120E+00 O6 5437 15.999400 -0.847600 6.3711E+00 -6.8517E+00 1.7425E+01 H1 5438 1.008000 0.423800 5.7380E+00 -7.1743E+00 1.6722E+01 H2 5439 1.008000 0.423800 5.8577E+00 -6.3927E+00 1.8150E+01 O6 5440 15.999400 -0.847600 -1.9060E+01 3.6777E+00 3.9592E+00 H1 5441 1.008000 0.423800 -1.9517E+01 3.8299E+00 4.8354E+00 H2 5442 1.008000 0.423800 1.9492E+01 4.0807E+00 3.2242E+00 O6 5443 15.999400 -0.847600 -1.0396E+01 1.3639E+01 1.9426E+01 H1 5444 1.008000 0.423800 -1.1334E+01 1.3845E+01 1.9146E+01 H2 5445 1.008000 0.423800 -9.7655E+00 1.3899E+01 1.8695E+01 O6 5446 15.999400 -0.847600 3.7472E+00 -7.9700E+00 -6.7075E+00 H1 5447 1.008000 0.423800 2.9811E+00 -8.4253E+00 -6.2538E+00 H2 5448 1.008000 0.423800 3.4449E+00 -7.6084E+00 -7.5895E+00 O6 5449 15.999400 -0.847600 1.2905E+01 -3.5186E+00 1.7421E+01 H1 5450 1.008000 0.423800 1.3892E+01 -3.3916E+00 1.7318E+01 H2 5451 1.008000 0.423800 1.2449E+01 -3.2914E+00 1.6560E+01 O6 5452 15.999400 -0.847600 -1.6351E+01 1.3905E+01 1.3263E+01 H1 5453 1.008000 0.423800 -1.7141E+01 1.3631E+01 1.2715E+01 H2 5454 1.008000 0.423800 -1.6381E+01 1.3438E+01 1.4147E+01 O6 5455 15.999400 -0.847600 7.2617E+00 1.1970E+01 5.3470E-02 H1 5456 1.008000 0.423800 6.9215E+00 1.2346E+01 -8.0833E-01 H2 5457 1.008000 0.423800 8.2589E+00 1.2041E+01 7.7498E-02 O6 5458 15.999400 -0.847600 -7.7907E+00 1.6618E+01 1.6966E+01 H1 5459 1.008000 0.423800 -7.2914E+00 1.7059E+01 1.7712E+01 H2 5460 1.008000 0.423800 -8.3621E+00 1.7296E+01 1.6502E+01 O6 5461 15.999400 -0.847600 -2.1714E+00 -1.5056E+01 1.9319E+01 H1 5462 1.008000 0.423800 -2.3632E+00 -1.4148E+01 1.8947E+01 H2 5463 1.008000 0.423800 -1.5760E+00 -1.5555E+01 1.8689E+01 O6 5464 15.999400 -0.847600 -7.5790E+00 -1.6774E+01 -1.2308E+01 H1 5465 1.008000 0.423800 -7.6065E+00 -1.6730E+01 -1.1309E+01 H2 5466 1.008000 0.423800 -7.5330E+00 -1.5848E+01 -1.2681E+01 O6 5467 15.999400 -0.847600 -1.6905E+00 -7.3571E+00 1.2154E+01 H1 5468 1.008000 0.423800 -2.0145E+00 -6.8028E+00 1.1388E+01 H2 5469 1.008000 0.423800 -2.3531E+00 -8.0814E+00 1.2345E+01 O6 5470 15.999400 -0.847600 1.8450E+01 5.4171E+00 -5.1552E+00 H1 5471 1.008000 0.423800 1.9076E+01 5.4992E+00 -5.9304E+00 H2 5472 1.008000 0.423800 1.8940E+01 5.6198E+00 -4.3076E+00 O6 5473 15.999400 -0.847600 -2.5457E+00 1.8268E+01 1.8663E+00 H1 5474 1.008000 0.423800 -2.1628E+00 1.9096E+01 2.2752E+00 H2 5475 1.008000 0.423800 -3.0797E+00 1.8512E+01 1.0568E+00 O6 5476 15.999400 -0.847600 -1.6136E+01 2.4634E+00 1.5757E+01 H1 5477 1.008000 0.423800 -1.5501E+01 3.1410E+00 1.5385E+01 H2 5478 1.008000 0.423800 -1.5906E+01 1.5592E+00 1.5397E+01 O6 5479 15.999400 -0.847600 -1.9447E+00 -7.2089E+00 -1.3751E+01 H1 5480 1.008000 0.423800 -2.8181E+00 -6.9351E+00 -1.3348E+01 H2 5481 1.008000 0.423800 -2.1124E+00 -7.7284E+00 -1.4589E+01 O6 5482 15.999400 -0.847600 2.4986E+00 1.6527E+01 -6.6032E+00 H1 5483 1.008000 0.423800 3.3890E+00 1.6075E+01 -6.5492E+00 H2 5484 1.008000 0.423800 2.5942E+00 1.7485E+01 -6.3332E+00 O6 5485 15.999400 -0.847600 9.5419E+00 -2.2513E+00 4.6340E+00 H1 5486 1.008000 0.423800 8.5743E+00 -2.1354E+00 4.8584E+00 H2 5487 1.008000 0.423800 9.7119E+00 -3.2013E+00 4.3723E+00 O6 5488 15.999400 -0.847600 -4.9986E+00 1.6047E+01 -1.5322E+01 H1 5489 1.008000 0.423800 -5.4834E+00 1.5422E+01 -1.4711E+01 H2 5490 1.008000 0.423800 -4.1539E+00 1.5616E+01 -1.5639E+01 O6 5491 15.999400 -0.847600 2.5495E+00 -1.4030E+01 -1.3072E+00 H1 5492 1.008000 0.423800 2.6067E+00 -1.3715E+01 -3.5974E-01 H2 5493 1.008000 0.423800 3.1035E+00 -1.3435E+01 -1.8899E+00 O6 5494 15.999400 -0.847600 -6.6747E+00 -1.3795E+01 1.8836E+01 H1 5495 1.008000 0.423800 -6.0718E+00 -1.4592E+01 1.8801E+01 H2 5496 1.008000 0.423800 -7.4411E+00 -1.3983E+01 1.9450E+01 O6 5497 15.999400 -0.847600 -9.2495E+00 -9.5379E+00 -1.1543E+01 H1 5498 1.008000 0.423800 -9.4910E+00 -9.7645E+00 -1.0599E+01 H2 5499 1.008000 0.423800 -8.3116E+00 -9.1922E+00 -1.1573E+01 O6 5500 15.999400 -0.847600 1.4250E+01 9.5444E+00 -1.7004E+01 H1 5501 1.008000 0.423800 1.3412E+01 1.0000E+01 -1.7305E+01 H2 5502 1.008000 0.423800 1.4014E+01 8.7343E+00 -1.6468E+01 O6 5503 15.999400 -0.847600 -9.7428E+00 7.9594E+00 1.1688E+01 H1 5504 1.008000 0.423800 -9.4590E+00 8.8770E+00 1.1410E+01 H2 5505 1.008000 0.423800 -9.0556E+00 7.5698E+00 1.2301E+01 O6 5506 15.999400 -0.847600 1.2198E+01 -8.7158E+00 1.4958E+01 H1 5507 1.008000 0.423800 1.3112E+01 -8.3901E+00 1.4719E+01 H2 5508 1.008000 0.423800 1.1561E+01 -7.9449E+00 1.4966E+01 O6 5509 15.999400 -0.847600 -1.6139E+01 1.8086E+01 -5.8628E-01 H1 5510 1.008000 0.423800 -1.5244E+01 1.8152E+01 -1.4540E-01 H2 5511 1.008000 0.423800 -1.6440E+01 1.7132E+01 -5.8658E-01 O6 5512 15.999400 -0.847600 -4.9342E+00 -1.7367E+01 6.3213E+00 H1 5513 1.008000 0.423800 -5.4314E+00 -1.7358E+01 5.4536E+00 H2 5514 1.008000 0.423800 -4.2403E+00 -1.8087E+01 6.3001E+00 O6 5515 15.999400 -0.847600 1.7264E+01 -7.1781E+00 -1.4535E+01 H1 5516 1.008000 0.423800 1.6470E+01 -7.5744E+00 -1.4997E+01 H2 5517 1.008000 0.423800 1.7387E+01 -6.2326E+00 -1.4836E+01 O6 5518 15.999400 -0.847600 -8.3618E+00 -1.7013E+01 -1.9005E+01 H1 5519 1.008000 0.423800 -8.3558E+00 -1.6660E+01 1.9158E+01 H2 5520 1.008000 0.423800 -9.2310E+00 -1.7475E+01 -1.8828E+01 O6 5521 15.999400 -0.847600 1.0921E+00 3.2166E+00 -1.9164E+01 H1 5522 1.008000 0.423800 7.4444E-01 2.2790E+00 -1.9176E+01 H2 5523 1.008000 0.423800 2.0819E+00 3.2068E+00 -1.9306E+01 O6 5524 15.999400 -0.847600 -1.0526E+01 -1.4486E+01 -1.3681E+01 H1 5525 1.008000 0.423800 -1.1004E+01 -1.3867E+01 -1.4303E+01 H2 5526 1.008000 0.423800 -9.5533E+00 -1.4507E+01 -1.3914E+01 O6 5527 15.999400 -0.847600 -7.1425E+00 1.7441E+01 -1.6199E+01 H1 5528 1.008000 0.423800 -6.3479E+00 1.6917E+01 -1.5892E+01 H2 5529 1.008000 0.423800 -7.3566E+00 1.7199E+01 -1.7145E+01 O6 5530 15.999400 -0.847600 -1.5295E+01 -3.6207E+00 -1.9481E+01 H1 5531 1.008000 0.423800 -1.5866E+01 -4.4072E+00 -1.9244E+01 H2 5532 1.008000 0.423800 -1.4517E+01 -3.9265E+00 1.9068E+01 O6 5533 15.999400 -0.847600 9.6768E+00 -1.1039E+01 2.6490E+00 H1 5534 1.008000 0.423800 1.0572E+01 -1.1195E+01 2.2309E+00 H2 5535 1.008000 0.423800 8.9675E+00 -1.1464E+01 2.0871E+00 O6 5536 15.999400 -0.847600 -6.1852E+00 1.6153E+01 -6.3380E-01 H1 5537 1.008000 0.423800 -6.2881E+00 1.7133E+01 -4.6796E-01 H2 5538 1.008000 0.423800 -5.2623E+00 1.5866E+01 -3.7673E-01 O6 5539 15.999400 -0.847600 8.9687E-01 9.4181E-01 -6.0746E+00 H1 5540 1.008000 0.423800 1.5292E+00 9.6121E-01 -5.3002E+00 H2 5541 1.008000 0.423800 4.7255E-01 3.8385E-02 -6.1359E+00 O6 5542 15.999400 -0.847600 1.5142E+01 -4.1760E+00 9.7668E+00 H1 5543 1.008000 0.423800 1.4900E+01 -3.2724E+00 9.4128E+00 H2 5544 1.008000 0.423800 1.5787E+01 -4.6168E+00 9.1429E+00 O6 5545 15.999400 -0.847600 -2.9595E+00 1.1652E+01 1.1713E+01 H1 5546 1.008000 0.423800 -3.1307E+00 1.2474E+01 1.1170E+01 H2 5547 1.008000 0.423800 -2.2327E+00 1.1115E+01 1.1285E+01 O6 5548 15.999400 -0.847600 7.7739E+00 -8.9850E+00 1.2202E+01 H1 5549 1.008000 0.423800 7.9446E+00 -9.7213E+00 1.1547E+01 H2 5550 1.008000 0.423800 8.6166E+00 -8.4667E+00 1.2348E+01 O6 5551 15.999400 -0.847600 9.9730E+00 -1.9145E+01 1.7852E+01 H1 5552 1.008000 0.423800 1.0183E+01 -1.8737E+01 1.6963E+01 H2 5553 1.008000 0.423800 9.4375E+00 -1.8499E+01 1.8396E+01 O6 5554 15.999400 -0.847600 -6.8372E+00 1.1462E+01 1.8837E+00 H1 5555 1.008000 0.423800 -6.1011E+00 1.1657E+01 1.2354E+00 H2 5556 1.008000 0.423800 -7.0353E+00 1.0482E+01 1.8787E+00 O6 5557 15.999400 -0.847600 -1.2046E+01 -1.7532E+01 -4.7053E+00 H1 5558 1.008000 0.423800 -1.2435E+01 -1.7814E+01 -3.8286E+00 H2 5559 1.008000 0.423800 -1.1451E+01 -1.6740E+01 -4.5662E+00 O6 5560 15.999400 -0.847600 -5.0933E+00 1.1547E+01 -1.3139E+01 H1 5561 1.008000 0.423800 -4.2174E+00 1.2028E+01 -1.3181E+01 H2 5562 1.008000 0.423800 -5.0441E+00 1.0717E+01 -1.3693E+01 O6 5563 15.999400 -0.847600 -5.9580E+00 -1.7192E+01 -1.9153E+00 H1 5564 1.008000 0.423800 -5.5190E+00 -1.8091E+01 -1.9057E+00 H2 5565 1.008000 0.423800 -6.2311E+00 -1.6965E+01 -2.8500E+00 O6 5566 15.999400 -0.847600 4.2376E+00 -1.2796E+01 -1.8391E+01 H1 5567 1.008000 0.423800 4.5845E+00 -1.2404E+01 -1.7539E+01 H2 5568 1.008000 0.423800 3.6904E+00 -1.2113E+01 -1.8874E+01 O6 5569 15.999400 -0.847600 1.9281E+01 2.2855E-01 1.1831E+01 H1 5570 1.008000 0.423800 -1.9072E+01 8.2748E-01 1.2126E+01 H2 5571 1.008000 0.423800 1.8416E+01 5.5950E-01 1.2210E+01 O6 5572 15.999400 -0.847600 4.9067E+00 -1.5176E+01 -3.6443E+00 H1 5573 1.008000 0.423800 4.7214E+00 -1.5639E+01 -2.7773E+00 H2 5574 1.008000 0.423800 4.2248E+00 -1.5452E+01 -4.3217E+00 O6 5575 15.999400 -0.847600 1.9445E+01 -1.8774E+01 -1.4900E+01 H1 5576 1.008000 0.423800 -1.8693E+01 -1.9046E+01 -1.4975E+01 H2 5577 1.008000 0.423800 1.9219E+01 -1.8610E+01 -1.3940E+01 O6 5578 15.999400 -0.847600 2.0537E+00 1.6459E+01 1.1616E+00 H1 5579 1.008000 0.423800 1.0837E+00 1.6250E+01 1.0369E+00 H2 5580 1.008000 0.423800 2.2749E+00 1.6445E+01 2.1367E+00 O6 5581 15.999400 -0.847600 6.5947E+00 -1.3138E-01 9.0790E-01 H1 5582 1.008000 0.423800 5.6405E+00 1.4207E-01 7.8654E-01 H2 5583 1.008000 0.423800 6.7614E+00 -9.8648E-01 4.1696E-01 O6 5584 15.999400 -0.847600 1.5168E+01 -5.1873E+00 3.6555E-01 H1 5585 1.008000 0.423800 1.6158E+01 -5.1118E+00 2.4104E-01 H2 5586 1.008000 0.423800 1.4712E+01 -4.4586E+00 -1.4476E-01 O6 5587 15.999400 -0.847600 -4.4286E+00 -5.3960E+00 -4.0068E+00 H1 5588 1.008000 0.423800 -4.5114E+00 -5.0202E+00 -3.0838E+00 H2 5589 1.008000 0.423800 -4.8085E+00 -4.7471E+00 -4.6661E+00 O6 5590 15.999400 -0.847600 -1.4020E+00 -1.5683E+01 -1.3005E+01 H1 5591 1.008000 0.423800 -5.7859E-01 -1.5838E+01 -1.3551E+01 H2 5592 1.008000 0.423800 -2.0869E+00 -1.5212E+01 -1.3560E+01 O6 5593 15.999400 -0.847600 -4.5221E+00 1.2131E+01 3.0452E-01 H1 5594 1.008000 0.423800 -4.1851E+00 1.1325E+01 7.9154E-01 H2 5595 1.008000 0.423800 -3.9944E+00 1.2933E+01 5.8291E-01 O6 5596 15.999400 -0.847600 -1.8666E+01 -1.7321E+01 1.1523E+00 H1 5597 1.008000 0.423800 1.9455E+01 -1.7197E+01 9.7911E-01 H2 5598 1.008000 0.423800 -1.8334E+01 -1.8111E+01 6.3645E-01 O6 5599 15.999400 -0.847600 1.3320E+01 -1.0567E+01 1.3013E+01 H1 5600 1.008000 0.423800 1.3167E+01 -1.1264E+01 1.3713E+01 H2 5601 1.008000 0.423800 1.2871E+01 -9.7162E+00 1.3285E+01 O6 5602 15.999400 -0.847600 6.8634E+00 5.7751E+00 6.8665E+00 H1 5603 1.008000 0.423800 7.2925E+00 5.2832E+00 7.6240E+00 H2 5604 1.008000 0.423800 6.9329E+00 6.7598E+00 7.0266E+00 O6 5605 15.999400 -0.847600 -3.5712E+00 4.2067E+00 -1.9390E+01 H1 5606 1.008000 0.423800 -2.8206E+00 4.8302E+00 1.9489E+01 H2 5607 1.008000 0.423800 -3.2018E+00 3.3684E+00 -1.8989E+01 O6 5608 15.999400 -0.847600 -1.3569E+01 -8.5460E-01 1.7769E+01 H1 5609 1.008000 0.423800 -1.4489E+01 -1.2387E+00 1.7685E+01 H2 5610 1.008000 0.423800 -1.2979E+01 -1.2467E+00 1.7063E+01 O6 5611 15.999400 -0.847600 -4.0452E+00 9.1603E+00 1.0456E+01 H1 5612 1.008000 0.423800 -3.5735E+00 8.8339E+00 1.1276E+01 H2 5613 1.008000 0.423800 -3.4987E+00 9.8748E+00 1.0020E+01 O6 5614 15.999400 -0.847600 1.4309E+01 -4.6459E+00 -5.6829E+00 H1 5615 1.008000 0.423800 1.5126E+01 -4.9863E+00 -5.2161E+00 H2 5616 1.008000 0.423800 1.4343E+01 -4.9081E+00 -6.6473E+00 O6 5617 15.999400 -0.847600 -1.0765E+01 -7.2758E+00 -1.2281E+01 H1 5618 1.008000 0.423800 -1.1764E+01 -7.2565E+00 -1.2325E+01 H2 5619 1.008000 0.423800 -1.0463E+01 -8.1788E+00 -1.1976E+01 O6 5620 15.999400 -0.847600 6.3507E+00 6.8902E+00 -2.1197E+00 H1 5621 1.008000 0.423800 7.3256E+00 7.0886E+00 -2.2211E+00 H2 5622 1.008000 0.423800 6.1302E+00 6.7898E+00 -1.1495E+00 O6 5623 15.999400 -0.847600 -3.9783E+00 1.1311E+01 -1.0421E+01 H1 5624 1.008000 0.423800 -4.3483E+00 1.0826E+01 -1.1213E+01 H2 5625 1.008000 0.423800 -3.4982E+00 1.2133E+01 -1.0727E+01 O6 5626 15.999400 -0.847600 1.4135E+01 1.8320E+01 -1.1762E+01 H1 5627 1.008000 0.423800 1.3702E+01 1.7666E+01 -1.1143E+01 H2 5628 1.008000 0.423800 1.4428E+01 1.9125E+01 -1.1245E+01 O6 5629 15.999400 -0.847600 1.6426E+01 -1.6699E+01 1.6732E+01 H1 5630 1.008000 0.423800 1.5526E+01 -1.7054E+01 1.6478E+01 H2 5631 1.008000 0.423800 1.6630E+01 -1.6954E+01 1.7678E+01 O6 5632 15.999400 -0.847600 -4.2751E+00 8.8219E+00 1.5162E+01 H1 5633 1.008000 0.423800 -4.2379E+00 8.4797E+00 1.6101E+01 H2 5634 1.008000 0.423800 -5.2292E+00 8.8957E+00 1.4872E+01 O6 5635 15.999400 -0.847600 1.1250E+01 -8.6575E+00 -1.7401E+01 H1 5636 1.008000 0.423800 1.1910E+01 -9.1707E+00 -1.7950E+01 H2 5637 1.008000 0.423800 1.1029E+01 -7.7988E+00 -1.7863E+01 O6 5638 15.999400 -0.847600 -9.0293E+00 -1.5675E+01 1.7202E+01 H1 5639 1.008000 0.423800 -9.4015E+00 -1.4894E+01 1.6702E+01 H2 5640 1.008000 0.423800 -8.3594E+00 -1.6149E+01 1.6631E+01 O6 5641 15.999400 -0.847600 2.7466E+00 7.5954E+00 1.4655E+01 H1 5642 1.008000 0.423800 1.9242E+00 7.1119E+00 1.4955E+01 H2 5643 1.008000 0.423800 3.2561E+00 7.9136E+00 1.5455E+01 O6 5644 15.999400 -0.847600 -1.7643E+01 1.7008E+01 1.0778E+01 H1 5645 1.008000 0.423800 -1.6707E+01 1.7355E+01 1.0713E+01 H2 5646 1.008000 0.423800 -1.7907E+01 1.6940E+01 1.1740E+01 O6 5647 15.999400 -0.847600 7.6377E+00 1.8609E+01 1.5930E+01 H1 5648 1.008000 0.423800 8.2890E+00 1.9084E+01 1.6522E+01 H2 5649 1.008000 0.423800 7.7978E+00 1.7623E+01 1.5982E+01 O6 5650 15.999400 -0.847600 5.1907E-01 -2.8620E+00 1.6259E+01 H1 5651 1.008000 0.423800 6.8363E-01 -1.8770E+00 1.6310E+01 H2 5652 1.008000 0.423800 9.8685E-01 -3.3183E+00 1.7015E+01 O6 5653 15.999400 -0.847600 1.8868E+01 8.9451E+00 -3.4339E+00 H1 5654 1.008000 0.423800 1.8556E+01 8.0648E+00 -3.0762E+00 H2 5655 1.008000 0.423800 1.9364E+01 8.8002E+00 -4.2899E+00 O6 5656 15.999400 -0.847600 -1.3090E+01 -1.0117E+01 1.4082E+01 H1 5657 1.008000 0.423800 -1.3483E+01 -1.0832E+01 1.4660E+01 H2 5658 1.008000 0.423800 -1.3033E+01 -1.0445E+01 1.3139E+01 O6 5659 15.999400 -0.847600 -1.5882E+01 -1.3810E+01 -1.8572E+01 H1 5660 1.008000 0.423800 -1.6580E+01 -1.3374E+01 -1.8003E+01 H2 5661 1.008000 0.423800 -1.5249E+01 -1.3116E+01 -1.8913E+01 O6 5662 15.999400 -0.847600 1.2100E+01 -8.4947E-01 1.0758E+01 H1 5663 1.008000 0.423800 1.2466E+01 -1.6204E+00 1.1279E+01 H2 5664 1.008000 0.423800 1.1379E+01 -1.1736E+00 1.0146E+01 O6 5665 15.999400 -0.847600 6.9341E+00 -1.7516E+00 5.0796E+00 H1 5666 1.008000 0.423800 6.8209E+00 -9.3118E-01 5.6400E+00 H2 5667 1.008000 0.423800 6.3491E+00 -1.6863E+00 4.2711E+00 O6 5668 15.999400 -0.847600 9.6467E+00 -4.4443E-01 -1.2839E+01 H1 5669 1.008000 0.423800 1.0078E+01 -1.8988E-01 -1.1973E+01 H2 5670 1.008000 0.423800 9.1147E+00 3.2791E-01 -1.3186E+01 O6 5671 15.999400 -0.847600 -1.0533E+01 1.2427E+01 -1.7127E+01 H1 5672 1.008000 0.423800 -1.0718E+01 1.2907E+01 -1.7984E+01 H2 5673 1.008000 0.423800 -1.0935E+01 1.1512E+01 -1.7164E+01 O6 5674 15.999400 -0.847600 1.7729E+01 1.5183E+01 1.7866E+01 H1 5675 1.008000 0.423800 1.7789E+01 1.4212E+01 1.7633E+01 H2 5676 1.008000 0.423800 1.7498E+01 1.5280E+01 1.8834E+01 O6 5677 15.999400 -0.847600 -1.9340E+01 -5.3449E+00 8.0113E+00 H1 5678 1.008000 0.423800 -1.8743E+01 -4.8799E+00 8.6651E+00 H2 5679 1.008000 0.423800 1.9139E+01 -4.6796E+00 7.5929E+00 O6 5680 15.999400 -0.847600 -4.0137E+00 -1.6995E+01 1.7486E+00 H1 5681 1.008000 0.423800 -3.3216E+00 -1.6878E+01 2.4608E+00 H2 5682 1.008000 0.423800 -3.6946E+00 -1.6572E+01 9.0059E-01 O6 5683 15.999400 -0.847600 9.6427E+00 -1.4727E+01 1.1529E+01 H1 5684 1.008000 0.423800 1.0124E+01 -1.5091E+01 1.0732E+01 H2 5685 1.008000 0.423800 8.7784E+00 -1.4317E+01 1.1238E+01 O6 5686 15.999400 -0.847600 1.3349E+00 -1.5835E+01 -1.9307E+01 H1 5687 1.008000 0.423800 5.0722E-01 -1.5650E+01 -1.8777E+01 H2 5688 1.008000 0.423800 2.1365E+00 -1.5742E+01 -1.8717E+01 O6 5689 15.999400 -0.847600 -7.5510E+00 7.7940E+00 6.6934E+00 H1 5690 1.008000 0.423800 -8.0033E+00 7.9382E+00 7.5736E+00 H2 5691 1.008000 0.423800 -7.4462E+00 8.6713E+00 6.2250E+00 O6 5692 15.999400 -0.847600 1.5326E+01 -1.7773E+01 2.6970E-01 H1 5693 1.008000 0.423800 1.5143E+01 -1.7029E+01 -3.7232E-01 H2 5694 1.008000 0.423800 1.4536E+01 -1.7898E+01 8.6971E-01 O6 5695 15.999400 -0.847600 -2.6724E+00 1.5589E+01 -3.8058E+00 H1 5696 1.008000 0.423800 -1.7069E+00 1.5574E+01 -3.5457E+00 H2 5697 1.008000 0.423800 -3.1434E+00 1.4815E+01 -3.3831E+00 O6 5698 15.999400 -0.847600 1.7535E+01 -1.1622E+00 -1.8095E+01 H1 5699 1.008000 0.423800 1.8389E+01 -1.6222E+00 -1.7853E+01 H2 5700 1.008000 0.423800 1.7577E+01 -2.0624E-01 -1.7804E+01 O6 5701 15.999400 -0.847600 -1.4552E+01 5.1747E+00 6.0952E+00 H1 5702 1.008000 0.423800 -1.5406E+01 4.8470E+00 5.6918E+00 H2 5703 1.008000 0.423800 -1.4497E+01 6.1685E+00 5.9990E+00 O6 5704 15.999400 -0.847600 -8.0653E+00 7.2591E+00 -1.3506E+01 H1 5705 1.008000 0.423800 -9.0228E+00 7.1873E+00 -1.3786E+01 H2 5706 1.008000 0.423800 -7.4742E+00 7.0243E+00 -1.4278E+01 O6 5707 15.999400 -0.847600 -1.3346E+01 -7.5954E+00 5.1055E+00 H1 5708 1.008000 0.423800 -1.3587E+01 -7.4776E+00 4.1422E+00 H2 5709 1.008000 0.423800 -1.2766E+01 -6.8355E+00 5.3990E+00 O6 5710 15.999400 -0.847600 1.3598E+01 5.6220E+00 -3.2535E+00 H1 5711 1.008000 0.423800 1.3099E+01 5.0328E+00 -3.8886E+00 H2 5712 1.008000 0.423800 1.4534E+01 5.7499E+00 -3.5831E+00 O6 5713 15.999400 -0.847600 1.1046E+01 1.1798E+01 -8.4183E+00 H1 5714 1.008000 0.423800 1.1024E+01 1.2773E+01 -8.1976E+00 H2 5715 1.008000 0.423800 1.1882E+01 1.1590E+01 -8.9263E+00 O6 5716 15.999400 -0.847600 9.4504E+00 -8.2962E+00 9.1481E+00 H1 5717 1.008000 0.423800 8.5896E+00 -7.8704E+00 8.8693E+00 H2 5718 1.008000 0.423800 1.0074E+01 -7.5939E+00 9.4923E+00 O6 5719 15.999400 -0.847600 1.3662E+01 1.4206E+01 -1.1808E+01 H1 5720 1.008000 0.423800 1.3564E+01 1.4980E+01 -1.1182E+01 H2 5721 1.008000 0.423800 1.3064E+01 1.4338E+01 -1.2598E+01 O6 5722 15.999400 -0.847600 1.9133E+01 1.2712E+01 -3.0808E-01 H1 5723 1.008000 0.423800 1.8314E+01 1.2172E+01 -1.1541E-01 H2 5724 1.008000 0.423800 -1.9470E+01 1.2305E+01 -1.0763E+00 O6 5725 15.999400 -0.847600 -1.0556E+01 -9.8317E+00 1.8114E+00 H1 5726 1.008000 0.423800 -1.0030E+01 -1.0529E+01 2.2981E+00 H2 5727 1.008000 0.423800 -1.1505E+01 -1.0132E+01 1.7229E+00 O6 5728 15.999400 -0.847600 1.9165E+01 -1.4660E+01 -1.4097E+01 H1 5729 1.008000 0.423800 1.9075E+01 -1.3680E+01 -1.3923E+01 H2 5730 1.008000 0.423800 1.9004E+01 -1.5165E+01 -1.3249E+01 O6 5731 15.999400 -0.847600 1.5841E+01 -9.5929E+00 7.0225E+00 H1 5732 1.008000 0.423800 1.5924E+01 -9.3650E+00 6.0524E+00 H2 5733 1.008000 0.423800 1.4910E+01 -9.4006E+00 7.3317E+00 O6 5734 15.999400 -0.847600 8.0940E+00 -1.4033E+01 -1.4889E+01 H1 5735 1.008000 0.423800 8.6678E+00 -1.3334E+01 -1.5316E+01 H2 5736 1.008000 0.423800 7.4465E+00 -1.4390E+01 -1.5562E+01 O6 5737 15.999400 -0.847600 -1.6103E+01 -3.5557E+00 -1.5013E+01 H1 5738 1.008000 0.423800 -1.6725E+01 -4.3298E+00 -1.5133E+01 H2 5739 1.008000 0.423800 -1.6536E+01 -2.7238E+00 -1.5360E+01 O6 5740 15.999400 -0.847600 8.4038E+00 1.4554E+00 1.7644E+00 H1 5741 1.008000 0.423800 9.0786E+00 9.2292E-01 2.2754E+00 H2 5742 1.008000 0.423800 7.7146E+00 8.4031E-01 1.3815E+00 O6 5743 15.999400 -0.847600 -1.8954E+01 7.8006E+00 7.6350E+00 H1 5744 1.008000 0.423800 -1.8528E+01 6.9004E+00 7.5446E+00 H2 5745 1.008000 0.423800 1.9150E+01 7.6954E+00 7.6879E+00 O6 5746 15.999400 -0.847600 5.8960E+00 3.1413E+00 -1.2649E+01 H1 5747 1.008000 0.423800 5.2856E+00 2.7682E+00 -1.1950E+01 H2 5748 1.008000 0.423800 5.5038E+00 3.9836E+00 -1.3019E+01 O6 5749 15.999400 -0.847600 3.4690E-01 -1.6620E+01 -1.5007E+01 H1 5750 1.008000 0.423800 -2.0624E-01 -1.7037E+01 -1.5728E+01 H2 5751 1.008000 0.423800 9.5779E-01 -1.7309E+01 -1.4616E+01 O6 5752 15.999400 -0.847600 -1.1515E+01 -1.0657E+01 -1.2718E+01 H1 5753 1.008000 0.423800 -1.0637E+01 -1.0473E+01 -1.2277E+01 H2 5754 1.008000 0.423800 -1.2258E+01 -1.0341E+01 -1.2127E+01 O6 5755 15.999400 -0.847600 -7.8859E+00 1.2505E+01 -1.6474E+01 H1 5756 1.008000 0.423800 -7.3924E+00 1.2876E+01 -1.7260E+01 H2 5757 1.008000 0.423800 -8.8695E+00 1.2540E+01 -1.6650E+01 O6 5758 15.999400 -0.847600 5.6027E+00 5.5569E+00 1.5853E+01 H1 5759 1.008000 0.423800 4.9412E+00 5.2495E+00 1.6538E+01 H2 5760 1.008000 0.423800 5.8801E+00 4.7815E+00 1.5286E+01 O6 5761 15.999400 -0.847600 1.0295E+00 1.0360E+01 -1.0561E+01 H1 5762 1.008000 0.423800 3.0427E-01 1.0307E+01 -9.8750E+00 H2 5763 1.008000 0.423800 9.6587E-01 1.1233E+01 -1.1046E+01 O6 5764 15.999400 -0.847600 2.7416E+00 1.1183E+01 1.5293E+01 H1 5765 1.008000 0.423800 2.1924E+00 1.1869E+01 1.4817E+01 H2 5766 1.008000 0.423800 2.8879E+00 1.0397E+01 1.4692E+01 O6 5767 15.999400 -0.847600 -1.6966E+01 1.2624E+01 -5.2743E+00 H1 5768 1.008000 0.423800 -1.6643E+01 1.2046E+01 -6.0232E+00 H2 5769 1.008000 0.423800 -1.6218E+01 1.3207E+01 -4.9561E+00 O6 5770 15.999400 -0.847600 -1.4589E+01 -6.2329E+00 1.6279E+01 H1 5771 1.008000 0.423800 -1.4920E+01 -7.0148E+00 1.6807E+01 H2 5772 1.008000 0.423800 -1.4292E+01 -5.5109E+00 1.6904E+01 O6 5773 15.999400 -0.847600 -1.8644E+01 1.4518E+00 -1.2792E+01 H1 5774 1.008000 0.423800 -1.7802E+01 1.7465E+00 -1.2341E+01 H2 5775 1.008000 0.423800 -1.8527E+01 5.2292E-01 -1.3143E+01 O6 5776 15.999400 -0.847600 -6.1782E+00 -6.3517E+00 -1.7561E+01 H1 5777 1.008000 0.423800 -6.4462E+00 -7.0383E+00 -1.8237E+01 H2 5778 1.008000 0.423800 -5.5852E+00 -6.7732E+00 -1.6875E+01 O6 5779 15.999400 -0.847600 1.1198E+01 8.0754E+00 -1.5269E+01 H1 5780 1.008000 0.423800 1.0386E+01 7.9336E+00 -1.5835E+01 H2 5781 1.008000 0.423800 1.1824E+01 7.3034E+00 -1.5384E+01 O6 5782 15.999400 -0.847600 1.7239E+01 2.6300E+00 1.0276E+01 H1 5783 1.008000 0.423800 1.6650E+01 2.4944E+00 9.4786E+00 H2 5784 1.008000 0.423800 1.8185E+01 2.4205E+00 1.0031E+01 O6 5785 15.999400 -0.847600 1.0857E+01 1.5059E+01 -1.3387E+01 H1 5786 1.008000 0.423800 1.0543E+01 1.5756E+01 -1.4032E+01 H2 5787 1.008000 0.423800 1.1019E+01 1.5479E+01 -1.2494E+01 O6 5788 15.999400 -0.847600 -1.9042E+01 -1.7218E+01 5.5064E+00 H1 5789 1.008000 0.423800 1.9135E+01 -1.7522E+01 5.2576E+00 H2 5790 1.008000 0.423800 -1.8392E+01 -1.7521E+01 4.8094E+00 O6 5791 15.999400 -0.847600 1.5555E+01 -1.2769E+01 1.3714E+01 H1 5792 1.008000 0.423800 1.5278E+01 -1.3114E+01 1.2817E+01 H2 5793 1.008000 0.423800 1.5571E+01 -1.1769E+01 1.3695E+01 O6 5794 15.999400 -0.847600 -1.6598E+01 -7.0138E+00 1.0549E+01 H1 5795 1.008000 0.423800 -1.5937E+01 -7.5437E+00 1.0018E+01 H2 5796 1.008000 0.423800 -1.6998E+01 -6.3033E+00 9.9704E+00 O6 5797 15.999400 -0.847600 -1.4410E+01 -1.0846E+01 -3.0594E+00 H1 5798 1.008000 0.423800 -1.5248E+01 -1.1301E+01 -3.3598E+00 H2 5799 1.008000 0.423800 -1.4376E+01 -9.9228E+00 -3.4424E+00 O6 5800 15.999400 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3.6449E+00 1.4210E+01 -9.8015E+00 H2 5817 1.008000 0.423800 3.3535E+00 1.2687E+01 -9.2895E+00 O6 5818 15.999400 -0.847600 8.5866E+00 6.1330E-01 8.3532E+00 H1 5819 1.008000 0.423800 9.0801E+00 -2.5603E-01 8.3810E+00 H2 5820 1.008000 0.423800 8.9925E+00 1.2481E+00 9.0107E+00 O6 5821 15.999400 -0.847600 5.1898E+00 -1.3730E+01 -1.0544E+01 H1 5822 1.008000 0.423800 5.7425E+00 -1.3935E+01 -1.1352E+01 H2 5823 1.008000 0.423800 5.7840E+00 -1.3410E+01 -9.8065E+00 O6 5824 15.999400 -0.847600 -1.0593E+01 1.6503E+01 8.5727E+00 H1 5825 1.008000 0.423800 -1.1220E+01 1.6955E+01 7.9376E+00 H2 5826 1.008000 0.423800 -9.6508E+00 1.6646E+01 8.2685E+00 O6 5827 15.999400 -0.847600 8.5127E+00 1.1746E+01 -6.3043E+00 H1 5828 1.008000 0.423800 8.6040E+00 1.1289E+01 -7.1891E+00 H2 5829 1.008000 0.423800 8.1878E+00 1.1090E+01 -5.6226E+00 O6 5830 15.999400 -0.847600 -8.7399E-01 -1.8649E+01 2.8998E+00 H1 5831 1.008000 0.423800 -5.2733E-01 -1.8384E+01 3.7996E+00 H2 5832 1.008000 0.423800 -8.3950E-01 -1.7862E+01 2.2842E+00 O6 5833 15.999400 -0.847600 -1.8442E+01 -1.9504E+01 -2.0233E-01 H1 5834 1.008000 0.423800 -1.9194E+01 1.8937E+01 -2.5194E-01 H2 5835 1.008000 0.423800 -1.7570E+01 1.9104E+01 -1.9716E-01 O6 5836 15.999400 -0.847600 1.2054E+01 -1.2183E+01 -1.6838E+01 H1 5837 1.008000 0.423800 1.2109E+01 -1.1735E+01 -1.7731E+01 H2 5838 1.008000 0.423800 1.1746E+01 -1.3127E+01 -1.6957E+01 O6 5839 15.999400 -0.847600 1.8461E+01 -2.7831E+00 -1.3919E+01 H1 5840 1.008000 0.423800 1.7816E+01 -2.8273E+00 -1.3157E+01 H2 5841 1.008000 0.423800 1.8013E+01 -2.3667E+00 -1.4711E+01 O6 5842 15.999400 -0.847600 -1.5192E+01 1.7659E+01 -1.4200E+01 H1 5843 1.008000 0.423800 -1.4757E+01 1.6833E+01 -1.3842E+01 H2 5844 1.008000 0.423800 -1.5124E+01 1.8391E+01 -1.3523E+01 O6 5845 15.999400 -0.847600 -8.6908E+00 -1.9273E+01 1.8021E+01 H1 5846 1.008000 0.423800 -9.5081E+00 1.9361E+01 1.8363E+01 H2 5847 1.008000 0.423800 -7.8753E+00 1.9372E+01 1.8381E+01 O6 5848 15.999400 -0.847600 4.7997E+00 -1.3546E+01 1.4126E+01 H1 5849 1.008000 0.423800 5.5934E+00 -1.3690E+01 1.4718E+01 H2 5850 1.008000 0.423800 4.0178E+00 -1.4053E+01 1.4489E+01 O6 5851 15.999400 -0.847600 -1.6162E+01 -1.5007E+01 1.1159E+01 H1 5852 1.008000 0.423800 -1.5757E+01 -1.4760E+01 1.0278E+01 H2 5853 1.008000 0.423800 -1.6102E+01 -1.4228E+01 1.1783E+01 O6 5854 15.999400 -0.847600 8.8708E+00 -9.5878E+00 -1.6737E+01 H1 5855 1.008000 0.423800 8.2415E+00 -8.8124E+00 -1.6788E+01 H2 5856 1.008000 0.423800 9.8130E+00 -9.2562E+00 -1.6785E+01 O6 5857 15.999400 -0.847600 1.4694E+01 1.7318E+01 1.6823E+01 H1 5858 1.008000 0.423800 1.3843E+01 1.7793E+01 1.6603E+01 H2 5859 1.008000 0.423800 1.5009E+01 1.7600E+01 1.7729E+01 O6 5860 15.999400 -0.847600 1.7530E+00 -3.3038E+00 1.1035E+00 H1 5861 1.008000 0.423800 1.7229E+00 -4.0951E+00 4.9271E-01 H2 5862 1.008000 0.423800 2.6336E+00 -2.8403E+00 1.0053E+00 O6 5863 15.999400 -0.847600 -7.9996E+00 1.0268E+01 -4.6645E+00 H1 5864 1.008000 0.423800 -7.6729E+00 9.5798E+00 -5.3125E+00 H2 5865 1.008000 0.423800 -8.8075E+00 1.0722E+01 -5.0398E+00 O6 5866 15.999400 -0.847600 1.7592E+01 -1.4205E+01 -4.8156E+00 H1 5867 1.008000 0.423800 1.7489E+01 -1.4726E+01 -3.9681E+00 H2 5868 1.008000 0.423800 1.7692E+01 -1.4836E+01 -5.5846E+00 O6 5869 15.999400 -0.847600 -6.7213E+00 1.2059E+01 1.7698E+01 H1 5870 1.008000 0.423800 -7.5331E+00 1.2590E+01 1.7454E+01 H2 5871 1.008000 0.423800 -6.4435E+00 1.2284E+01 1.8632E+01 O6 5872 15.999400 -0.847600 -1.0908E+01 8.1754E+00 1.4763E+01 H1 5873 1.008000 0.423800 -9.9915E+00 7.9290E+00 1.4447E+01 H2 5874 1.008000 0.423800 -1.1535E+01 8.1928E+00 1.3984E+01 O6 5875 15.999400 -0.847600 -1.8570E+01 -1.3758E+01 1.8431E+01 H1 5876 1.008000 0.423800 -1.8494E+01 -1.3586E+01 1.7449E+01 H2 5877 1.008000 0.423800 -1.8310E+01 -1.4704E+01 1.8625E+01 O6 5878 15.999400 -0.847600 -1.2498E+01 1.3844E+01 -1.5842E+01 H1 5879 1.008000 0.423800 -1.2091E+01 1.4671E+01 -1.5455E+01 H2 5880 1.008000 0.423800 -1.1799E+01 1.3328E+01 -1.6336E+01 O6 5881 15.999400 -0.847600 -7.4840E+00 -1.3948E+01 1.6245E+00 H1 5882 1.008000 0.423800 -7.7480E+00 -1.3188E+01 1.0311E+00 H2 5883 1.008000 0.423800 -7.2930E+00 -1.4756E+01 1.0663E+00 O6 5884 15.999400 -0.847600 -1.2557E+01 1.7105E+01 -1.2056E+01 H1 5885 1.008000 0.423800 -1.2482E+01 1.7771E+01 -1.2798E+01 H2 5886 1.008000 0.423800 -1.3268E+01 1.7398E+01 -1.1416E+01 O6 5887 15.999400 -0.847600 1.0680E+01 1.6314E+01 -1.0982E+01 H1 5888 1.008000 0.423800 1.0073E+01 1.6005E+01 -1.0250E+01 H2 5889 1.008000 0.423800 1.0790E+01 1.7307E+01 -1.0927E+01 O6 5890 15.999400 -0.847600 2.4637E+00 7.9716E-01 2.1480E+00 H1 5891 1.008000 0.423800 1.6673E+00 1.3962E+00 2.0645E+00 H2 5892 1.008000 0.423800 2.3772E+00 2.4107E-01 2.9746E+00 O6 5893 15.999400 -0.847600 7.6336E+00 -2.5087E+00 1.2489E+01 H1 5894 1.008000 0.423800 6.9389E+00 -2.2470E+00 1.1819E+01 H2 5895 1.008000 0.423800 8.0568E+00 -3.3710E+00 1.2211E+01 O6 5896 15.999400 -0.847600 5.3201E+00 -1.6026E+01 5.0434E+00 H1 5897 1.008000 0.423800 4.7122E+00 -1.5595E+01 5.7099E+00 H2 5898 1.008000 0.423800 5.2431E+00 -1.7021E+01 5.1169E+00 O6 5899 15.999400 -0.847600 -9.2185E+00 2.2113E+00 1.8750E+01 H1 5900 1.008000 0.423800 -9.9641E+00 2.2314E+00 1.9416E+01 H2 5901 1.008000 0.423800 -9.5199E+00 1.7303E+00 1.7927E+01 O6 5902 15.999400 -0.847600 -8.3736E+00 6.4709E+00 -5.3855E+00 H1 5903 1.008000 0.423800 -8.6012E+00 5.9937E+00 -6.2343E+00 H2 5904 1.008000 0.423800 -7.9318E+00 7.3417E+00 -5.6009E+00 O6 5905 15.999400 -0.847600 4.6242E+00 1.5516E+01 -1.0691E+01 H1 5906 1.008000 0.423800 4.9682E+00 1.6232E+01 -1.0084E+01 H2 5907 1.008000 0.423800 4.3345E+00 1.5924E+01 -1.1557E+01 O6 5908 15.999400 -0.847600 -5.1259E+00 -8.3136E+00 -1.2986E+01 H1 5909 1.008000 0.423800 -4.7417E+00 -7.4485E+00 -1.2664E+01 H2 5910 1.008000 0.423800 -6.0589E+00 -8.1625E+00 -1.3313E+01 O6 5911 15.999400 -0.847600 4.7105E+00 -1.6057E+01 8.7230E+00 H1 5912 1.008000 0.423800 4.1575E+00 -1.5528E+01 8.0788E+00 H2 5913 1.008000 0.423800 4.3085E+00 -1.5994E+01 9.6365E+00 O6 5914 15.999400 -0.847600 4.2663E+00 1.3234E+00 1.6111E+01 H1 5915 1.008000 0.423800 4.1289E+00 6.1791E-01 1.6806E+01 H2 5916 1.008000 0.423800 3.8528E+00 1.0276E+00 1.5249E+01 O6 5917 15.999400 -0.847600 1.3484E+01 1.7987E+01 -1.4376E+01 H1 5918 1.008000 0.423800 1.3420E+01 1.8157E+01 -1.3392E+01 H2 5919 1.008000 0.423800 1.4217E+01 1.8546E+01 -1.4763E+01 O6 5920 15.999400 -0.847600 6.0495E+00 1.5542E+01 1.7487E+01 H1 5921 1.008000 0.423800 6.0397E+00 1.6028E+01 1.8361E+01 H2 5922 1.008000 0.423800 6.9663E+00 1.5588E+01 1.7090E+01 O6 5923 15.999400 -0.847600 -1.7595E+01 4.5399E+00 -1.0766E+01 H1 5924 1.008000 0.423800 -1.7967E+01 5.0409E+00 -1.1547E+01 H2 5925 1.008000 0.423800 -1.7120E+01 5.1757E+00 -1.0158E+01 O6 5926 15.999400 -0.847600 -8.6865E+00 -1.8935E+01 2.6304E+00 H1 5927 1.008000 0.423800 -8.9827E+00 -1.9098E+01 1.6893E+00 H2 5928 1.008000 0.423800 -8.8408E+00 -1.7976E+01 2.8669E+00 O6 5929 15.999400 -0.847600 1.6445E+01 4.6221E+00 -1.6796E+01 H1 5930 1.008000 0.423800 1.6984E+01 5.2429E+00 -1.6226E+01 H2 5931 1.008000 0.423800 1.5850E+01 5.1542E+00 -1.7398E+01 O6 5932 15.999400 -0.847600 -1.1274E+01 1.4402E+01 1.9295E+00 H1 5933 1.008000 0.423800 -1.2126E+01 1.4086E+01 1.5124E+00 H2 5934 1.008000 0.423800 -1.0517E+01 1.3825E+01 1.6206E+00 O6 5935 15.999400 -0.847600 1.6947E+01 -3.2904E+00 -1.1473E+01 H1 5936 1.008000 0.423800 1.7529E+01 -2.6719E+00 -1.0945E+01 H2 5937 1.008000 0.423800 1.7026E+01 -4.2171E+00 -1.1105E+01 O6 5938 15.999400 -0.847600 -5.8310E+00 1.0160E+00 -7.8440E+00 H1 5939 1.008000 0.423800 -6.2198E+00 1.1790E+00 -8.7508E+00 H2 5940 1.008000 0.423800 -5.0417E+00 1.6146E+00 -7.7073E+00 O6 5941 15.999400 -0.847600 2.5457E+00 -1.4204E+01 -1.1587E+01 H1 5942 1.008000 0.423800 3.0897E+00 -1.4188E+01 -1.0748E+01 H2 5943 1.008000 0.423800 3.1345E+00 -1.4004E+01 -1.2370E+01 O6 5944 15.999400 -0.847600 -1.1930E+01 -1.3446E+01 -1.1606E+01 H1 5945 1.008000 0.423800 -1.1297E+01 -1.3987E+01 -1.2160E+01 H2 5946 1.008000 0.423800 -1.1629E+01 -1.2492E+01 -1.1592E+01 O6 5947 15.999400 -0.847600 2.1149E+00 5.6320E+00 7.8732E+00 H1 5948 1.008000 0.423800 1.9434E+00 4.6481E+00 7.8223E+00 H2 5949 1.008000 0.423800 2.5942E+00 5.9299E+00 7.0476E+00 O6 5950 15.999400 -0.847600 1.1632E+01 8.7554E+00 1.0120E+01 H1 5951 1.008000 0.423800 1.1849E+01 9.5298E+00 9.5254E+00 H2 5952 1.008000 0.423800 1.0777E+01 8.3336E+00 9.8200E+00 O6 5953 15.999400 -0.847600 -1.3671E+01 -1.2004E+01 1.7013E+01 H1 5954 1.008000 0.423800 -1.3306E+01 -1.2740E+01 1.6442E+01 H2 5955 1.008000 0.423800 -1.4606E+01 -1.1794E+01 1.6727E+01 O6 5956 15.999400 -0.847600 4.7208E+00 -1.5893E+01 4.4761E-01 H1 5957 1.008000 0.423800 4.8383E+00 -1.6487E+01 -3.4802E-01 H2 5958 1.008000 0.423800 4.3270E+00 -1.5020E+01 1.5695E-01 O6 5959 15.999400 -0.847600 -1.2994E+01 -5.1499E+00 -1.6431E+01 H1 5960 1.008000 0.423800 -1.3727E+01 -4.7886E+00 -1.5854E+01 H2 5961 1.008000 0.423800 -1.2621E+01 -4.4141E+00 -1.6996E+01 O6 5962 15.999400 -0.847600 -1.8433E+01 -8.7531E+00 1.1645E+01 H1 5963 1.008000 0.423800 -1.8926E+01 -9.0656E+00 1.0833E+01 H2 5964 1.008000 0.423800 -1.7819E+01 -8.0041E+00 1.1394E+01 O6 5965 15.999400 -0.847600 7.2782E+00 9.3868E+00 9.8471E+00 H1 5966 1.008000 0.423800 7.9080E+00 8.6139E+00 9.7702E+00 H2 5967 1.008000 0.423800 6.5010E+00 9.2458E+00 9.2339E+00 O6 5968 15.999400 -0.847600 1.0416E+01 1.6106E+00 -7.4451E+00 H1 5969 1.008000 0.423800 1.0003E+01 1.3305E+00 -8.3119E+00 H2 5970 1.008000 0.423800 1.0183E+01 2.5651E+00 -7.2584E+00 O6 5971 15.999400 -0.847600 -1.7296E+00 6.0846E-01 6.6418E+00 H1 5972 1.008000 0.423800 -1.2257E+00 4.3616E-01 5.7953E+00 H2 5973 1.008000 0.423800 -1.4310E+00 -3.7119E-02 7.3446E+00 O6 5974 15.999400 -0.847600 -3.0247E+00 1.1109E+00 -1.0075E+01 H1 5975 1.008000 0.423800 -3.2511E+00 1.1798E+00 -1.1047E+01 H2 5976 1.008000 0.423800 -2.5165E+00 1.9245E+00 -9.7931E+00 O6 5977 15.999400 -0.847600 1.4552E+01 -5.8512E+00 1.6143E+01 H1 5978 1.008000 0.423800 1.4193E+01 -4.9297E+00 1.5995E+01 H2 5979 1.008000 0.423800 1.4591E+01 -6.0391E+00 1.7125E+01 O6 5980 15.999400 -0.847600 1.0972E+01 4.0736E+00 1.7662E+01 H1 5981 1.008000 0.423800 1.1296E+01 3.1373E+00 1.7526E+01 H2 5982 1.008000 0.423800 1.0261E+01 4.2815E+00 1.6990E+01 O6 5983 15.999400 -0.847600 -1.0782E+01 -1.6212E+00 -1.2612E+01 H1 5984 1.008000 0.423800 -1.1768E+01 -1.4570E+00 -1.2590E+01 H2 5985 1.008000 0.423800 -1.0543E+01 -2.1060E+00 -1.3453E+01 O6 5986 15.999400 -0.847600 5.8160E+00 -1.1536E+01 -4.5052E+00 H1 5987 1.008000 0.423800 5.9422E+00 -1.1023E+01 -3.6559E+00 H2 5988 1.008000 0.423800 4.9248E+00 -1.1989E+01 -4.4915E+00 O6 5989 15.999400 -0.847600 -4.9641E+00 6.9224E+00 -1.8507E+01 H1 5990 1.008000 0.423800 -5.1596E+00 6.0883E+00 -1.7992E+01 H2 5991 1.008000 0.423800 -5.8167E+00 7.2955E+00 -1.8873E+01 O6 5992 15.999400 -0.847600 -2.2188E+00 -3.1282E+00 -1.5822E+00 H1 5993 1.008000 0.423800 -1.6092E+00 -3.2921E+00 -2.3578E+00 H2 5994 1.008000 0.423800 -1.7154E+00 -2.6603E+00 -8.5576E-01 O6 5995 15.999400 -0.847600 1.8381E+01 1.7464E+01 -1.4245E-01 H1 5996 1.008000 0.423800 1.8085E+01 1.6516E+01 -2.0114E-02 H2 5997 1.008000 0.423800 1.7760E+01 1.8073E+01 3.5067E-01 O6 5998 15.999400 -0.847600 1.7019E+01 1.7263E+01 -6.2338E+00 H1 5999 1.008000 0.423800 1.7626E+01 1.6854E+01 -5.5524E+00 H2 6000 1.008000 0.423800 1.7304E+01 1.8204E+01 -6.4135E+00 O6 6001 15.999400 -0.847600 -3.9742E+00 1.8481E+01 4.1742E+00 H1 6002 1.008000 0.423800 -3.6085E+00 1.8396E+01 3.2474E+00 H2 6003 1.008000 0.423800 -4.9733E+00 1.8503E+01 4.1374E+00 O6 6004 15.999400 -0.847600 -1.4459E+01 4.2545E-02 6.1756E-01 H1 6005 1.008000 0.423800 -1.3665E+01 5.8570E-01 8.9041E-01 H2 6006 1.008000 0.423800 -1.4636E+01 1.7742E-01 -3.5736E-01 timestep 10001 6006 0 1 0.001000 39.10 0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.3641E+01 1.2311E+01 1.2240E-02 O1 2 15.999400 -1.000000 -1.2857E+01 1.3651E+01 -6.0284E-01 O2 3 15.999400 -1.000000 -1.4328E+01 1.1445E+01 -1.2394E+00 O3 4 15.999400 -1.000000 -1.2543E+01 1.1345E+01 8.2011E-01 O4 5 15.999400 -1.000000 -1.4835E+01 1.2802E+01 1.0710E+00 CU 6 63.465000 2.000000 -1.1821E+01 1.0000E+01 1.6558E+00 O6 7 15.999400 -0.847600 1.3120E+01 6.2798E+00 1.6220E+01 H1 8 1.008000 0.423800 1.2902E+01 7.1162E+00 1.6723E+01 H2 9 1.008000 0.423800 1.3350E+01 6.5096E+00 1.5274E+01 O6 10 15.999400 -0.847600 -1.6928E+01 1.6784E+01 1.0484E+01 H1 11 1.008000 0.423800 -1.7922E+01 1.6868E+01 1.0549E+01 H2 12 1.008000 0.423800 -1.6509E+01 1.7686E+01 1.0587E+01 O6 13 15.999400 -0.847600 -2.0998E+00 -1.1135E+01 4.2158E+00 H1 14 1.008000 0.423800 -2.0343E+00 -1.0157E+01 4.0140E+00 H2 15 1.008000 0.423800 -3.0581E+00 -1.1418E+01 4.1822E+00 O6 16 15.999400 -0.847600 -2.0908E+00 -1.8636E+01 1.3780E+01 H1 17 1.008000 0.423800 -1.3931E+00 -1.8013E+01 1.3426E+01 H2 18 1.008000 0.423800 -1.6766E+00 -1.9257E+01 1.4446E+01 O6 19 15.999400 -0.847600 -1.8142E+01 -1.5246E+01 1.0472E+01 H1 20 1.008000 0.423800 -1.7523E+01 -1.6027E+01 1.0561E+01 H2 21 1.008000 0.423800 -1.7955E+01 -1.4587E+01 1.1200E+01 O6 22 15.999400 -0.847600 -1.3086E+01 -1.0231E+01 1.5334E+01 H1 23 1.008000 0.423800 -1.2704E+01 -9.3744E+00 1.5682E+01 H2 24 1.008000 0.423800 -1.3620E+01 -1.0675E+01 1.6053E+01 O6 25 15.999400 -0.847600 9.8111E+00 -4.1914E+00 4.6816E+00 H1 26 1.008000 0.423800 9.2826E+00 -4.9655E+00 5.0301E+00 H2 27 1.008000 0.423800 1.0171E+01 -4.4146E+00 3.7757E+00 O6 28 15.999400 -0.847600 -1.1583E+01 6.3522E-01 1.5733E+00 H1 29 1.008000 0.423800 -1.1891E+01 1.4410E+00 1.0675E+00 H2 30 1.008000 0.423800 -1.1777E+01 -1.8778E-01 1.0395E+00 O6 31 15.999400 -0.847600 2.5238E+00 1.6387E+01 1.1239E+01 H1 32 1.008000 0.423800 1.7175E+00 1.6341E+01 1.1829E+01 H2 33 1.008000 0.423800 2.3126E+00 1.6932E+01 1.0428E+01 O6 34 15.999400 -0.847600 -9.1266E+00 7.6613E-01 -1.4776E+01 H1 35 1.008000 0.423800 -9.8690E+00 9.6265E-02 -1.4787E+01 H2 36 1.008000 0.423800 -8.6517E+00 7.2272E-01 -1.3897E+01 O6 37 15.999400 -0.847600 9.7068E+00 -6.6244E+00 7.4771E+00 H1 38 1.008000 0.423800 1.0381E+01 -6.1211E+00 8.0178E+00 H2 39 1.008000 0.423800 8.7952E+00 -6.4782E+00 7.8612E+00 O6 40 15.999400 -0.847600 -2.8637E+00 -9.6768E+00 1.3740E+00 H1 41 1.008000 0.423800 -3.1441E+00 -9.1896E+00 5.4692E-01 H2 42 1.008000 0.423800 -2.1826E+00 -9.1342E+00 1.8657E+00 O6 43 15.999400 -0.847600 -6.9684E+00 -7.4869E+00 1.6199E+00 H1 44 1.008000 0.423800 -6.9379E+00 -7.3556E+00 6.2905E-01 H2 45 1.008000 0.423800 -7.8442E+00 -7.8967E+00 1.8750E+00 O6 46 15.999400 -0.847600 -1.1211E+01 1.3495E+01 -2.8313E+00 H1 47 1.008000 0.423800 -1.0320E+01 1.3866E+01 -2.5686E+00 H2 48 1.008000 0.423800 -1.1839E+01 1.3554E+01 -2.0553E+00 O6 49 15.999400 -0.847600 -1.2001E+01 1.7395E+01 -1.5266E+01 H1 50 1.008000 0.423800 -1.2406E+01 1.8042E+01 -1.4621E+01 H2 51 1.008000 0.423800 -1.1102E+01 1.7110E+01 -1.4932E+01 O6 52 15.999400 -0.847600 1.5085E+01 -2.8759E-01 -4.7582E+00 H1 53 1.008000 0.423800 1.5081E+01 6.1263E-01 -4.3227E+00 H2 54 1.008000 0.423800 1.4566E+01 -9.3176E-01 -4.1961E+00 O6 55 15.999400 -0.847600 -7.5680E+00 -1.2124E+01 -1.9175E+01 H1 56 1.008000 0.423800 -6.6716E+00 -1.1852E+01 -1.9525E+01 H2 57 1.008000 0.423800 -7.4505E+00 -1.2804E+01 -1.8451E+01 O6 58 15.999400 -0.847600 6.4954E+00 -1.2175E+01 -1.1009E+01 H1 59 1.008000 0.423800 7.3644E+00 -1.2470E+01 -1.0611E+01 H2 60 1.008000 0.423800 6.5413E+00 -1.2253E+01 -1.2005E+01 O6 61 15.999400 -0.847600 -1.4215E+01 -1.4250E+01 1.6423E+01 H1 62 1.008000 0.423800 -1.3787E+01 -1.4900E+01 1.7051E+01 H2 63 1.008000 0.423800 -1.4786E+01 -1.3613E+01 1.6941E+01 O6 64 15.999400 -0.847600 1.9481E+00 1.8123E+01 9.1340E+00 H1 65 1.008000 0.423800 1.6713E+00 1.7258E+01 8.7139E+00 H2 66 1.008000 0.423800 1.1794E+00 1.8762E+01 9.1181E+00 O6 67 15.999400 -0.847600 8.1352E-01 1.6930E+01 5.2514E+00 H1 68 1.008000 0.423800 9.1595E-01 1.6053E+01 4.7818E+00 H2 69 1.008000 0.423800 1.8493E-01 1.7512E+01 4.7361E+00 O6 70 15.999400 -0.847600 1.7589E+01 -5.9608E+00 4.3723E+00 H1 71 1.008000 0.423800 1.7651E+01 -6.1177E+00 3.3866E+00 H2 72 1.008000 0.423800 1.7567E+01 -6.8397E+00 4.8488E+00 O6 73 15.999400 -0.847600 -1.3331E+00 -1.2838E+01 7.0826E-01 H1 74 1.008000 0.423800 -1.1901E+00 -1.3750E+01 3.2234E-01 H2 75 1.008000 0.423800 -2.3116E+00 -1.2685E+01 8.4578E-01 O6 76 15.999400 -0.847600 4.1951E+00 1.1916E+01 -7.0230E+00 H1 77 1.008000 0.423800 3.7270E+00 1.1200E+01 -6.5048E+00 H2 78 1.008000 0.423800 3.8765E+00 1.1904E+01 -7.9708E+00 O6 79 15.999400 -0.847600 2.5900E+00 -6.7505E+00 1.0020E+01 H1 80 1.008000 0.423800 1.7865E+00 -6.3869E+00 1.0491E+01 H2 81 1.008000 0.423800 3.0672E+00 -6.0064E+00 9.5525E+00 O6 82 15.999400 -0.847600 -3.6599E+00 -1.0125E+00 1.9730E+00 H1 83 1.008000 0.423800 -3.8514E+00 -2.8373E-01 1.3156E+00 H2 84 1.008000 0.423800 -3.7086E+00 -1.8985E+00 1.5120E+00 O6 85 15.999400 -0.847600 -5.2292E+00 -3.7978E+00 -6.4343E+00 H1 86 1.008000 0.423800 -4.8453E+00 -2.9185E+00 -6.7162E+00 H2 87 1.008000 0.423800 -4.6160E+00 -4.5352E+00 -6.7174E+00 O6 88 15.999400 -0.847600 3.5386E-01 -1.1871E+01 -1.1922E+00 H1 89 1.008000 0.423800 -7.7235E-03 -1.0995E+01 -1.5115E+00 H2 90 1.008000 0.423800 -7.0110E-02 -1.2108E+01 -3.1805E-01 O6 91 15.999400 -0.847600 -1.0826E+01 -1.7166E+01 -1.6850E+01 H1 92 1.008000 0.423800 -9.9501E+00 -1.7619E+01 -1.7018E+01 H2 93 1.008000 0.423800 -1.1136E+01 -1.7374E+01 -1.5922E+01 O6 94 15.999400 -0.847600 -7.6549E+00 9.3219E+00 -2.5062E+00 H1 95 1.008000 0.423800 -7.7589E+00 9.2040E+00 -3.4938E+00 H2 96 1.008000 0.423800 -6.6832E+00 9.3852E+00 -2.2786E+00 O6 97 15.999400 -0.847600 -1.6976E+01 -1.8942E+00 -1.6077E+01 H1 98 1.008000 0.423800 -1.7617E+01 -2.6282E+00 -1.5852E+01 H2 99 1.008000 0.423800 -1.7233E+01 -1.4840E+00 -1.6952E+01 O6 100 15.999400 -0.847600 2.1521E+00 -1.0015E+01 1.1889E+01 H1 101 1.008000 0.423800 2.6161E+00 -9.1636E+00 1.2134E+01 H2 102 1.008000 0.423800 1.1985E+00 -9.8202E+00 1.1659E+01 O6 103 15.999400 -0.847600 -1.8122E+01 8.2939E+00 -8.5293E+00 H1 104 1.008000 0.423800 -1.7463E+01 8.0930E+00 -9.2545E+00 H2 105 1.008000 0.423800 -1.7632E+01 8.5142E+00 -7.6859E+00 O6 106 15.999400 -0.847600 -9.2768E+00 6.2030E+00 -1.2489E+01 H1 107 1.008000 0.423800 -9.1056E+00 6.7615E+00 -1.3300E+01 H2 108 1.008000 0.423800 -8.6923E+00 5.3920E+00 -1.2513E+01 O6 109 15.999400 -0.847600 -6.5680E+00 1.9299E+01 5.9743E+00 H1 110 1.008000 0.423800 -6.0803E+00 -1.9035E+01 5.5514E+00 H2 111 1.008000 0.423800 -7.5489E+00 1.9493E+01 5.9818E+00 O6 112 15.999400 -0.847600 1.7276E+00 -2.6342E+00 9.4347E+00 H1 113 1.008000 0.423800 2.2183E+00 -3.4681E+00 9.6872E+00 H2 114 1.008000 0.423800 1.1419E+00 -2.8182E+00 8.6453E+00 O6 115 15.999400 -0.847600 1.2780E+01 -8.3584E+00 -1.3067E+01 H1 116 1.008000 0.423800 1.1846E+01 -8.5457E+00 -1.2761E+01 H2 117 1.008000 0.423800 1.3368E+01 -9.1341E+00 -1.2837E+01 O6 118 15.999400 -0.847600 -5.8155E+00 -3.0159E-02 5.3949E+00 H1 119 1.008000 0.423800 -6.2482E+00 -7.0615E-01 4.7984E+00 H2 120 1.008000 0.423800 -5.5527E+00 -4.6530E-01 6.2561E+00 O6 121 15.999400 -0.847600 -7.1499E+00 1.3421E+01 -1.6323E+00 H1 122 1.008000 0.423800 -7.6697E+00 1.4269E+01 -1.7325E+00 H2 123 1.008000 0.423800 -6.2487E+00 1.3626E+01 -1.2501E+00 O6 124 15.999400 -0.847600 -3.9382E+00 -1.8532E+01 1.9218E+01 H1 125 1.008000 0.423800 -4.7000E+00 -1.8087E+01 -1.9409E+01 H2 126 1.008000 0.423800 -3.8076E+00 -1.8110E+01 1.8321E+01 O6 127 15.999400 -0.847600 -1.6547E+01 1.9450E+01 1.7973E+01 H1 128 1.008000 0.423800 -1.5912E+01 1.9209E+01 1.7239E+01 H2 129 1.008000 0.423800 -1.6171E+01 1.9151E+01 1.8850E+01 O6 130 15.999400 -0.847600 1.3135E+01 -1.3745E+01 -5.2451E+00 H1 131 1.008000 0.423800 1.3854E+01 -1.3051E+01 -5.2208E+00 H2 132 1.008000 0.423800 1.2448E+01 -1.3489E+01 -5.9258E+00 O6 133 15.999400 -0.847600 -1.8981E+01 1.5535E+01 5.3421E+00 H1 134 1.008000 0.423800 1.9245E+01 1.5552E+01 5.8328E+00 H2 135 1.008000 0.423800 -1.8343E+01 1.4929E+01 5.8169E+00 O6 136 15.999400 -0.847600 -1.5722E+01 8.2680E-01 7.4924E+00 H1 137 1.008000 0.423800 -1.6718E+01 7.3879E-01 7.5077E+00 H2 138 1.008000 0.423800 -1.5469E+01 1.6661E+00 7.0113E+00 O6 139 15.999400 -0.847600 -6.9242E-01 -1.9029E+01 -9.1067E+00 H1 140 1.008000 0.423800 -1.6325E+00 -1.9000E+01 -9.4465E+00 H2 141 1.008000 0.423800 -5.8826E-02 -1.8884E+01 -9.8668E+00 O6 142 15.999400 -0.847600 1.4946E+01 -1.5594E+01 -8.0194E+00 H1 143 1.008000 0.423800 1.5875E+01 -1.5278E+01 -7.8278E+00 H2 144 1.008000 0.423800 1.4816E+01 -1.6505E+01 -7.6286E+00 O6 145 15.999400 -0.847600 -9.7272E+00 -3.5755E+00 7.3137E+00 H1 146 1.008000 0.423800 -1.0485E+01 -3.5100E+00 7.9629E+00 H2 147 1.008000 0.423800 -9.1401E+00 -2.7711E+00 7.4044E+00 O6 148 15.999400 -0.847600 -4.0715E+00 2.5979E+00 -1.8267E+00 H1 149 1.008000 0.423800 -4.3435E+00 3.2735E+00 -1.1414E+00 H2 150 1.008000 0.423800 -3.5219E+00 3.0429E+00 -2.5337E+00 O6 151 15.999400 -0.847600 1.8185E+01 -1.3948E+01 -1.0141E+01 H1 152 1.008000 0.423800 1.8115E+01 -1.2951E+01 -1.0147E+01 H2 153 1.008000 0.423800 1.7552E+01 -1.4331E+01 -1.0814E+01 O6 154 15.999400 -0.847600 1.7932E+01 1.7088E+01 -1.4684E+01 H1 155 1.008000 0.423800 1.7994E+01 1.7918E+01 -1.5239E+01 H2 156 1.008000 0.423800 1.8664E+01 1.6458E+01 -1.4943E+01 O6 157 15.999400 -0.847600 8.4445E+00 -8.1934E+00 -1.6887E+00 H1 158 1.008000 0.423800 7.4789E+00 -7.9626E+00 -1.5685E+00 H2 159 1.008000 0.423800 8.6047E+00 -9.1297E+00 -1.3763E+00 O6 160 15.999400 -0.847600 -1.5787E+01 -2.0416E+00 -1.1967E+01 H1 161 1.008000 0.423800 -1.6764E+01 -2.1599E+00 -1.1792E+01 H2 162 1.008000 0.423800 -1.5262E+01 -2.4620E+00 -1.1227E+01 O6 163 15.999400 -0.847600 -2.3496E+00 1.7465E+01 1.3990E+00 H1 164 1.008000 0.423800 -1.8230E+00 1.7032E+01 6.6728E-01 H2 165 1.008000 0.423800 -2.7066E+00 1.8342E+01 1.0787E+00 O6 166 15.999400 -0.847600 2.1119E+00 1.9136E+01 -1.4995E+01 H1 167 1.008000 0.423800 2.7054E+00 -1.9465E+01 -1.4362E+01 H2 168 1.008000 0.423800 1.7815E+00 1.8300E+01 -1.4555E+01 O6 169 15.999400 -0.847600 9.5452E-01 -1.6990E+01 6.7942E+00 H1 170 1.008000 0.423800 5.3443E-01 -1.7831E+01 7.1358E+00 H2 171 1.008000 0.423800 3.5218E-01 -1.6568E+01 6.1166E+00 O6 172 15.999400 -0.847600 -5.0566E+00 9.4152E+00 6.1410E+00 H1 173 1.008000 0.423800 -4.3440E+00 8.7555E+00 6.3798E+00 H2 174 1.008000 0.423800 -4.6640E+00 1.0139E+01 5.5739E+00 O6 175 15.999400 -0.847600 -1.3242E+01 -1.8616E+01 -2.7017E+00 H1 176 1.008000 0.423800 -1.2561E+01 -1.8943E+01 -3.3568E+00 H2 177 1.008000 0.423800 -1.2809E+01 -1.7985E+01 -2.0582E+00 O6 178 15.999400 -0.847600 1.5867E+01 1.4490E+01 1.3164E+00 H1 179 1.008000 0.423800 1.5378E+01 1.3634E+01 1.4844E+00 H2 180 1.008000 0.423800 1.5395E+01 1.5009E+01 6.0461E-01 O6 181 15.999400 -0.847600 9.6161E+00 1.0377E+01 -1.0373E+01 H1 182 1.008000 0.423800 9.6176E+00 1.1342E+01 -1.0636E+01 H2 183 1.008000 0.423800 1.0553E+01 1.0080E+01 -1.0189E+01 O6 184 15.999400 -0.847600 -2.9187E+00 7.1734E+00 4.8437E+00 H1 185 1.008000 0.423800 -2.8803E+00 7.5791E+00 5.7569E+00 H2 186 1.008000 0.423800 -2.1249E+00 6.5802E+00 4.7090E+00 O6 187 15.999400 -0.847600 7.6012E+00 -6.8013E-01 1.9486E+01 H1 188 1.008000 0.423800 6.7960E+00 -8.8599E-02 1.9444E+01 H2 189 1.008000 0.423800 8.1942E+00 -3.8305E-01 -1.8863E+01 O6 190 15.999400 -0.847600 -7.2336E+00 -8.2821E+00 1.3073E+01 H1 191 1.008000 0.423800 -6.8512E+00 -8.9146E+00 1.3746E+01 H2 192 1.008000 0.423800 -6.4898E+00 -7.8256E+00 1.2585E+01 O6 193 15.999400 -0.847600 -9.2977E+00 1.8374E+01 1.4755E+01 H1 194 1.008000 0.423800 -8.5181E+00 1.8994E+01 1.4665E+01 H2 195 1.008000 0.423800 -1.0018E+01 1.8650E+01 1.4119E+01 O6 196 15.999400 -0.847600 -6.6029E-01 -1.8812E+01 -9.8162E-01 H1 197 1.008000 0.423800 -7.2674E-01 -1.8653E+01 -1.9666E+00 H2 198 1.008000 0.423800 -2.2083E-02 1.9535E+01 -8.0776E-01 O6 199 15.999400 -0.847600 -9.0154E+00 -1.0680E+01 -1.3593E+01 H1 200 1.008000 0.423800 -8.6947E+00 -9.7764E+00 -1.3309E+01 H2 201 1.008000 0.423800 -8.9974E+00 -1.0742E+01 -1.4591E+01 O6 202 15.999400 -0.847600 -1.9045E+01 5.8042E+00 -1.3549E+01 H1 203 1.008000 0.423800 1.9320E+01 5.8540E+00 -1.2869E+01 H2 204 1.008000 0.423800 -1.9340E+01 5.2334E+00 -1.4315E+01 O6 205 15.999400 -0.847600 1.8689E+01 -2.9637E+00 1.2276E+01 H1 206 1.008000 0.423800 -1.9475E+01 -3.0219E+00 1.2628E+01 H2 207 1.008000 0.423800 1.8603E+01 -3.5393E+00 1.1463E+01 O6 208 15.999400 -0.847600 1.5178E+01 7.9366E+00 -7.9594E+00 H1 209 1.008000 0.423800 1.4661E+01 7.1653E+00 -7.5872E+00 H2 210 1.008000 0.423800 1.5061E+01 8.7331E+00 -7.3661E+00 O6 211 15.999400 -0.847600 -1.8454E+00 1.5498E+01 3.6836E+00 H1 212 1.008000 0.423800 -9.0141E-01 1.5169E+01 3.7060E+00 H2 213 1.008000 0.423800 -1.9052E+00 1.6298E+01 3.0862E+00 O6 214 15.999400 -0.847600 3.2490E+00 -1.1108E+01 -5.0209E+00 H1 215 1.008000 0.423800 3.8440E+00 -1.1701E+01 -5.5627E+00 H2 216 1.008000 0.423800 2.7997E+00 -1.1647E+01 -4.3086E+00 O6 217 15.999400 -0.847600 1.7753E+01 -5.2474E+00 -4.5840E+00 H1 218 1.008000 0.423800 1.7016E+01 -4.9542E+00 -3.9746E+00 H2 219 1.008000 0.423800 1.8447E+01 -5.7374E+00 -4.0562E+00 O6 220 15.999400 -0.847600 1.2373E+01 9.9846E-02 3.3602E+00 H1 221 1.008000 0.423800 1.1382E+01 8.3865E-02 3.4896E+00 H2 222 1.008000 0.423800 1.2716E+01 1.0250E+00 3.5237E+00 O6 223 15.999400 -0.847600 1.1387E+00 1.7888E+01 1.3771E+01 H1 224 1.008000 0.423800 5.1544E-01 1.8483E+01 1.4278E+01 H2 225 1.008000 0.423800 1.8922E+00 1.8432E+01 1.3401E+01 O6 226 15.999400 -0.847600 -1.4667E+01 1.5449E+01 9.6676E+00 H1 227 1.008000 0.423800 -1.5108E+01 1.4805E+01 9.0423E+00 H2 228 1.008000 0.423800 -1.5364E+01 1.6011E+01 1.0113E+01 O6 229 15.999400 -0.847600 -6.5173E+00 1.7068E+01 -1.1609E+01 H1 230 1.008000 0.423800 -6.6322E+00 1.6862E+01 -1.2580E+01 H2 231 1.008000 0.423800 -5.6813E+00 1.7601E+01 -1.1478E+01 O6 232 15.999400 -0.847600 -5.7951E+00 -1.1707E+00 1.7836E+01 H1 233 1.008000 0.423800 -6.4139E+00 -8.2089E-01 1.7132E+01 H2 234 1.008000 0.423800 -6.2782E+00 -1.2198E+00 1.8710E+01 O6 235 15.999400 -0.847600 1.2025E+01 -1.4879E+01 -3.4564E-01 H1 236 1.008000 0.423800 1.1173E+01 -1.5065E+01 1.4407E-01 H2 237 1.008000 0.423800 1.2749E+01 -1.4673E+01 3.1215E-01 O6 238 15.999400 -0.847600 1.3338E+01 -6.6038E+00 1.3765E+01 H1 239 1.008000 0.423800 1.3272E+01 -6.5431E+00 1.2769E+01 H2 240 1.008000 0.423800 1.4179E+01 -7.0839E+00 1.4014E+01 O6 241 15.999400 -0.847600 -1.1121E+01 -4.7393E-01 -1.7705E+01 H1 242 1.008000 0.423800 -1.1860E+01 -5.2743E-01 -1.8376E+01 H2 243 1.008000 0.423800 -1.0258E+01 -2.8478E-01 -1.8175E+01 O6 244 15.999400 -0.847600 -1.2569E+01 1.9244E+01 1.7163E+01 H1 245 1.008000 0.423800 -1.1847E+01 -1.9321E+01 1.6722E+01 H2 246 1.008000 0.423800 -1.3042E+01 -1.9283E+01 1.7835E+01 O6 247 15.999400 -0.847600 -5.2357E+00 -1.6798E+01 5.5145E-01 H1 248 1.008000 0.423800 -5.6429E+00 -1.5886E+01 5.0314E-01 H2 249 1.008000 0.423800 -4.9991E+00 -1.7107E+01 -3.6985E-01 O6 250 15.999400 -0.847600 -1.2772E+00 8.2485E+00 -1.6127E+01 H1 251 1.008000 0.423800 -1.7929E+00 7.3956E+00 -1.6046E+01 H2 252 1.008000 0.423800 -1.4498E+00 8.6589E+00 -1.7023E+01 O6 253 15.999400 -0.847600 6.5695E+00 3.9221E-01 -1.2583E+01 H1 254 1.008000 0.423800 7.2900E+00 -2.4035E-01 -1.2299E+01 H2 255 1.008000 0.423800 6.6584E+00 5.8047E-01 -1.3561E+01 O6 256 15.999400 -0.847600 6.9023E+00 1.3627E+01 9.8982E+00 H1 257 1.008000 0.423800 6.3355E+00 1.4250E+01 9.3595E+00 H2 258 1.008000 0.423800 6.3231E+00 1.2927E+01 1.0316E+01 O6 259 15.999400 -0.847600 -4.5069E+00 1.3765E+01 -1.5764E-01 H1 260 1.008000 0.423800 -3.7518E+00 1.3543E+01 4.5934E-01 H2 261 1.008000 0.423800 -4.7908E+00 1.4712E+01 -9.5916E-03 O6 262 15.999400 -0.847600 3.1539E+00 4.8876E-01 2.4318E+00 H1 263 1.008000 0.423800 3.3033E+00 -2.1174E-01 3.1297E+00 H2 264 1.008000 0.423800 2.5299E+00 1.1849E+00 2.7866E+00 O6 265 15.999400 -0.847600 1.1303E+01 5.5199E+00 -1.1409E+01 H1 266 1.008000 0.423800 1.0317E+01 5.3606E+00 -1.1452E+01 H2 267 1.008000 0.423800 1.1553E+01 6.2385E+00 -1.2058E+01 O6 268 15.999400 -0.847600 -1.1609E+00 -2.9744E+00 3.5875E+00 H1 269 1.008000 0.423800 -1.9360E+00 -2.5282E+00 3.1401E+00 H2 270 1.008000 0.423800 -1.4896E+00 -3.5175E+00 4.3601E+00 O6 271 15.999400 -0.847600 8.0463E+00 -1.9321E+00 -1.2634E+01 H1 272 1.008000 0.423800 7.3423E+00 -2.5301E+00 -1.2250E+01 H2 273 1.008000 0.423800 8.9232E+00 -2.4126E+00 -1.2642E+01 O6 274 15.999400 -0.847600 9.4137E-01 -1.2029E+01 -6.4815E+00 H1 275 1.008000 0.423800 6.2394E-01 -1.2630E+01 -5.7483E+00 H2 276 1.008000 0.423800 1.7608E+00 -1.1541E+01 -6.1808E+00 O6 277 15.999400 -0.847600 -8.0484E+00 5.7619E+00 -1.6112E+01 H1 278 1.008000 0.423800 -7.9153E+00 6.3678E+00 -1.5328E+01 H2 279 1.008000 0.423800 -8.2784E+00 4.8440E+00 -1.5789E+01 O6 280 15.999400 -0.847600 2.0294E-01 5.4491E+00 1.0033E+01 H1 281 1.008000 0.423800 -5.2337E-01 5.3805E+00 1.0717E+01 H2 282 1.008000 0.423800 3.7826E-01 6.4121E+00 9.8287E+00 O6 283 15.999400 -0.847600 -6.6253E-02 1.3378E+00 9.7405E+00 H1 284 1.008000 0.423800 -7.6962E-01 8.1355E-01 9.2605E+00 H2 285 1.008000 0.423800 -4.6764E-01 2.1779E+00 1.0105E+01 O6 286 15.999400 -0.847600 -3.6682E+00 -7.5892E+00 1.5809E+01 H1 287 1.008000 0.423800 -2.9512E+00 -8.1740E+00 1.6188E+01 H2 288 1.008000 0.423800 -3.2620E+00 -6.9358E+00 1.5170E+01 O6 289 15.999400 -0.847600 -3.2427E+00 -1.1195E+01 -9.7210E+00 H1 290 1.008000 0.423800 -3.3465E+00 -1.1327E+01 -1.0707E+01 H2 291 1.008000 0.423800 -3.1671E+00 -1.2085E+01 -9.2713E+00 O6 292 15.999400 -0.847600 7.4313E-01 -6.7773E+00 9.8871E-01 H1 293 1.008000 0.423800 1.1054E+00 -7.3886E+00 1.6924E+00 H2 294 1.008000 0.423800 9.6926E-01 -7.1392E+00 8.4331E-02 O6 295 15.999400 -0.847600 1.9188E+01 1.7112E+01 1.4148E+00 H1 296 1.008000 0.423800 1.8393E+01 1.7041E+01 2.0169E+00 H2 297 1.008000 0.423800 1.8906E+01 1.7491E+01 5.3357E-01 O6 298 15.999400 -0.847600 7.8517E+00 -1.3809E+01 -7.0732E+00 H1 299 1.008000 0.423800 7.6393E+00 -1.4731E+01 -6.7484E+00 H2 300 1.008000 0.423800 8.1830E+00 -1.3255E+01 -6.3097E+00 O6 301 15.999400 -0.847600 9.5937E+00 -9.6928E+00 -1.5133E+01 H1 302 1.008000 0.423800 9.4310E+00 -9.1698E+00 -1.5970E+01 H2 303 1.008000 0.423800 8.9903E+00 -1.0490E+01 -1.5116E+01 O6 304 15.999400 -0.847600 1.0632E+01 -7.2332E+00 3.9430E-01 H1 305 1.008000 0.423800 9.9204E+00 -7.0199E+00 1.0641E+00 H2 306 1.008000 0.423800 1.1100E+01 -6.3913E+00 1.2579E-01 O6 307 15.999400 -0.847600 -2.1222E+00 -1.2708E+01 1.8624E+01 H1 308 1.008000 0.423800 -2.1049E+00 -1.2734E+01 1.7624E+01 H2 309 1.008000 0.423800 -1.5271E+00 -1.1973E+01 1.8948E+01 O6 310 15.999400 -0.847600 5.4933E+00 -9.5027E+00 -2.9972E+00 H1 311 1.008000 0.423800 5.5528E+00 -8.7909E+00 -3.6971E+00 H2 312 1.008000 0.423800 5.4440E+00 -9.0780E+00 -2.0932E+00 O6 313 15.999400 -0.847600 -1.5319E+01 -8.8029E+00 1.7853E+00 H1 314 1.008000 0.423800 -1.4641E+01 -9.2079E+00 2.3984E+00 H2 315 1.008000 0.423800 -1.6231E+01 -8.9060E+00 2.1826E+00 O6 316 15.999400 -0.847600 -6.4900E+00 1.7506E+01 -4.5806E+00 H1 317 1.008000 0.423800 -5.6876E+00 1.7034E+01 -4.2142E+00 H2 318 1.008000 0.423800 -6.6764E+00 1.7176E+01 -5.5061E+00 O6 319 15.999400 -0.847600 1.3712E+01 -2.2260E+00 -1.5431E+01 H1 320 1.008000 0.423800 1.3763E+01 -1.2295E+00 -1.5365E+01 H2 321 1.008000 0.423800 1.4156E+01 -2.6361E+00 -1.4634E+01 O6 322 15.999400 -0.847600 1.7365E+01 1.0451E+01 -1.2899E+01 H1 323 1.008000 0.423800 1.6581E+01 1.0914E+01 -1.2487E+01 H2 324 1.008000 0.423800 1.8192E+01 1.0668E+01 -1.2381E+01 O6 325 15.999400 -0.847600 1.3669E+01 -8.3202E+00 -1.5742E+01 H1 326 1.008000 0.423800 1.3277E+01 -8.1679E+00 -1.4834E+01 H2 327 1.008000 0.423800 1.4116E+01 -7.4828E+00 -1.6056E+01 O6 328 15.999400 -0.847600 2.2179E+00 1.5099E+01 -5.8748E+00 H1 329 1.008000 0.423800 1.7804E+00 1.4207E+01 -5.9909E+00 H2 330 1.008000 0.423800 3.1708E+00 1.4969E+01 -5.6008E+00 O6 331 15.999400 -0.847600 1.4104E+01 -4.2990E-01 -1.0060E+01 H1 332 1.008000 0.423800 1.4898E+01 1.5412E-01 -1.0230E+01 H2 333 1.008000 0.423800 1.4351E+01 -1.3845E+00 -1.0227E+01 O6 334 15.999400 -0.847600 -1.9365E+01 -1.7579E+01 -1.2727E+01 H1 335 1.008000 0.423800 -1.9107E+01 -1.6889E+01 -1.3403E+01 H2 336 1.008000 0.423800 1.8866E+01 -1.7999E+01 -1.2994E+01 O6 337 15.999400 -0.847600 -6.4815E-01 -1.5756E+00 -1.2586E+01 H1 338 1.008000 0.423800 -9.5546E-01 -1.1387E+00 -1.3432E+01 H2 339 1.008000 0.423800 -8.3946E-01 -2.5562E+00 -1.2629E+01 O6 340 15.999400 -0.847600 3.5743E+00 -3.7034E+00 -1.1447E+01 H1 341 1.008000 0.423800 3.2686E+00 -4.6015E+00 -1.1131E+01 H2 342 1.008000 0.423800 2.8002E+00 -3.0703E+00 -1.1451E+01 O6 343 15.999400 -0.847600 1.1843E+00 1.3603E+01 -1.6425E+00 H1 344 1.008000 0.423800 2.1635E+00 1.3725E+01 -1.8049E+00 H2 345 1.008000 0.423800 9.5872E-01 1.3913E+01 -7.1864E-01 O6 346 15.999400 -0.847600 1.3966E+01 -8.2602E+00 -4.1505E+00 H1 347 1.008000 0.423800 1.3155E+01 -8.7795E+00 -4.4188E+00 H2 348 1.008000 0.423800 1.4101E+01 -7.5006E+00 -4.7866E+00 O6 349 15.999400 -0.847600 2.8341E+00 -8.7300E+00 1.7758E+01 H1 350 1.008000 0.423800 2.5785E+00 -7.8420E+00 1.7375E+01 H2 351 1.008000 0.423800 3.2070E+00 -9.3098E+00 1.7033E+01 O6 352 15.999400 -0.847600 -1.7487E+01 -7.9005E+00 -6.5722E+00 H1 353 1.008000 0.423800 -1.8140E+01 -8.1329E+00 -7.2939E+00 H2 354 1.008000 0.423800 -1.7358E+01 -6.9093E+00 -6.5470E+00 O6 355 15.999400 -0.847600 1.9149E+01 -1.1637E+01 -1.3681E+01 H1 356 1.008000 0.423800 1.8647E+01 -1.1419E+01 -1.4518E+01 H2 357 1.008000 0.423800 -1.9355E+01 -1.0870E+01 -1.3439E+01 O6 358 15.999400 -0.847600 -8.3451E+00 1.4237E+01 8.5549E+00 H1 359 1.008000 0.423800 -7.5469E+00 1.3860E+01 8.0850E+00 H2 360 1.008000 0.423800 -8.2382E+00 1.5227E+01 8.6522E+00 O6 361 15.999400 -0.847600 -1.2479E+01 -2.9590E+00 5.2775E+00 H1 362 1.008000 0.423800 -1.3121E+01 -3.3985E+00 4.6496E+00 H2 363 1.008000 0.423800 -1.2944E+01 -2.2237E+00 5.7699E+00 O6 364 15.999400 -0.847600 1.0255E+01 5.8623E+00 -6.1439E+00 H1 365 1.008000 0.423800 9.6320E+00 5.0814E+00 -6.1044E+00 H2 366 1.008000 0.423800 1.0672E+01 5.9108E+00 -7.0518E+00 O6 367 15.999400 -0.847600 1.8587E+00 -1.7515E-01 -8.5204E+00 H1 368 1.008000 0.423800 2.0059E+00 -1.1182E+00 -8.2221E+00 H2 369 1.008000 0.423800 9.0054E-01 7.3440E-02 -8.3790E+00 O6 370 15.999400 -0.847600 1.8679E+01 1.6036E+01 -5.3618E+00 H1 371 1.008000 0.423800 1.9404E+01 1.6723E+01 -5.3973E+00 H2 372 1.008000 0.423800 1.9072E+01 1.5127E+01 -5.5033E+00 O6 373 15.999400 -0.847600 1.3769E+01 -1.2128E+01 -1.5454E+01 H1 374 1.008000 0.423800 1.3598E+01 -1.3038E+01 -1.5832E+01 H2 375 1.008000 0.423800 1.4477E+01 -1.1671E+01 -1.5993E+01 O6 376 15.999400 -0.847600 -1.2286E+01 1.8695E+01 -1.7861E+01 H1 377 1.008000 0.423800 -1.2100E+01 1.7980E+01 -1.8535E+01 H2 378 1.008000 0.423800 -1.1766E+01 1.8510E+01 -1.7027E+01 O6 379 15.999400 -0.847600 -1.0056E+01 2.6532E+00 1.8565E+01 H1 380 1.008000 0.423800 -1.0048E+01 2.8632E+00 1.9543E+01 H2 381 1.008000 0.423800 -9.5182E+00 1.8272E+00 1.8397E+01 O6 382 15.999400 -0.847600 5.3414E+00 4.4996E+00 -1.6558E+01 H1 383 1.008000 0.423800 5.5364E+00 5.2126E+00 -1.5884E+01 H2 384 1.008000 0.423800 4.4518E+00 4.0883E+00 -1.6360E+01 O6 385 15.999400 -0.847600 5.1984E+00 -1.8187E+01 1.7152E+01 H1 386 1.008000 0.423800 4.4965E+00 -1.8887E+01 1.7280E+01 H2 387 1.008000 0.423800 5.8171E+00 -1.8466E+01 1.6417E+01 O6 388 15.999400 -0.847600 -7.5174E+00 1.2039E+01 1.0166E+01 H1 389 1.008000 0.423800 -7.5017E+00 1.2526E+01 1.1038E+01 H2 390 1.008000 0.423800 -7.9645E+00 1.2606E+01 9.4744E+00 O6 391 15.999400 -0.847600 -5.8451E+00 8.7482E-01 -8.9044E+00 H1 392 1.008000 0.423800 -4.9201E+00 1.1223E+00 -9.1926E+00 H2 393 1.008000 0.423800 -5.9936E+00 1.1787E+00 -7.9634E+00 O6 394 15.999400 -0.847600 -1.2948E+01 -9.1954E+00 -1.6301E+01 H1 395 1.008000 0.423800 -1.2787E+01 -1.0180E+01 -1.6228E+01 H2 396 1.008000 0.423800 -1.3696E+01 -8.9340E+00 -1.5691E+01 O6 397 15.999400 -0.847600 1.2074E+01 -1.5611E+01 9.2996E+00 H1 398 1.008000 0.423800 1.1649E+01 -1.4860E+01 9.8052E+00 H2 399 1.008000 0.423800 1.1490E+01 -1.5866E+01 8.5286E+00 O6 400 15.999400 -0.847600 1.2905E+01 3.1739E+00 1.0485E+00 H1 401 1.008000 0.423800 1.3833E+01 2.8946E+00 1.2954E+00 H2 402 1.008000 0.423800 1.2909E+01 4.1333E+00 7.6680E-01 O6 403 15.999400 -0.847600 1.1605E+00 1.8743E+01 -5.1195E+00 H1 404 1.008000 0.423800 1.4617E+00 1.7974E+01 -4.5554E+00 H2 405 1.008000 0.423800 5.3368E-01 1.8413E+01 -5.8253E+00 O6 406 15.999400 -0.847600 4.3202E+00 -1.3690E+01 4.1142E+00 H1 407 1.008000 0.423800 5.0826E+00 -1.3192E+01 4.5273E+00 H2 408 1.008000 0.423800 3.5310E+00 -1.3660E+01 4.7276E+00 O6 409 15.999400 -0.847600 -1.6472E+01 1.7007E+01 4.3907E+00 H1 410 1.008000 0.423800 -1.6899E+01 1.6853E+01 5.2817E+00 H2 411 1.008000 0.423800 -1.5797E+01 1.7741E+01 4.4676E+00 O6 412 15.999400 -0.847600 -1.6524E+01 -9.0131E+00 -1.8850E+01 H1 413 1.008000 0.423800 -1.6573E+01 -8.2923E+00 -1.8159E+01 H2 414 1.008000 0.423800 -1.6598E+01 -9.9061E+00 -1.8406E+01 O6 415 15.999400 -0.847600 -1.0504E+01 6.3455E+00 -3.9373E+00 H1 416 1.008000 0.423800 -1.0213E+01 6.7674E+00 -4.7963E+00 H2 417 1.008000 0.423800 -1.1498E+01 6.4061E+00 -3.8559E+00 O6 418 15.999400 -0.847600 -1.3894E+01 -2.5564E+00 1.5071E+01 H1 419 1.008000 0.423800 -1.4787E+01 -2.6924E+00 1.5500E+01 H2 420 1.008000 0.423800 -1.3702E+01 -1.5773E+00 1.5003E+01 O6 421 15.999400 -0.847600 4.2489E+00 1.5411E+01 -8.8961E+00 H1 422 1.008000 0.423800 4.9003E+00 1.4957E+01 -9.5047E+00 H2 423 1.008000 0.423800 4.2673E+00 1.4968E+01 -7.9994E+00 O6 424 15.999400 -0.847600 2.1466E+00 -1.2840E+01 6.2103E+00 H1 425 1.008000 0.423800 1.3323E+00 -1.2370E+01 6.5516E+00 H2 426 1.008000 0.423800 2.9629E+00 -1.2327E+01 6.4760E+00 O6 427 15.999400 -0.847600 1.6149E+01 -1.7179E+01 -1.0310E+01 H1 428 1.008000 0.423800 1.5794E+01 -1.8093E+01 -1.0115E+01 H2 429 1.008000 0.423800 1.5539E+01 -1.6493E+01 -9.9137E+00 O6 430 15.999400 -0.847600 2.2152E+00 7.3221E-01 -5.7222E+00 H1 431 1.008000 0.423800 2.6931E+00 1.5606E+00 -5.4299E+00 H2 432 1.008000 0.423800 1.9779E+00 8.0857E-01 -6.6906E+00 O6 433 15.999400 -0.847600 1.8613E+01 1.4092E+00 -5.5568E+00 H1 434 1.008000 0.423800 1.8546E+01 5.2669E-01 -6.0224E+00 H2 435 1.008000 0.423800 1.9376E+01 1.9301E+00 -5.9382E+00 O6 436 15.999400 -0.847600 -2.6470E+00 -5.7945E+00 1.3925E+01 H1 437 1.008000 0.423800 -2.1912E+00 -6.2876E+00 1.3184E+01 H2 438 1.008000 0.423800 -1.9611E+00 -5.4388E+00 1.4560E+01 O6 439 15.999400 -0.847600 5.8359E+00 -2.3566E+00 1.2899E+01 H1 440 1.008000 0.423800 6.1935E+00 -3.2662E+00 1.3111E+01 H2 441 1.008000 0.423800 6.1078E+00 -2.0994E+00 1.1971E+01 O6 442 15.999400 -0.847600 1.6032E+01 9.4414E+00 1.8922E+01 H1 443 1.008000 0.423800 1.5051E+01 9.2715E+00 1.8824E+01 H2 444 1.008000 0.423800 1.6457E+01 8.6730E+00 1.9400E+01 O6 445 15.999400 -0.847600 -9.1880E+00 5.0309E+00 1.8884E+00 H1 446 1.008000 0.423800 -8.6793E+00 5.8677E+00 2.0907E+00 H2 447 1.008000 0.423800 -8.7919E+00 4.2683E+00 2.3997E+00 O6 448 15.999400 -0.847600 1.6784E+01 1.7892E+01 9.8242E+00 H1 449 1.008000 0.423800 1.6204E+01 1.7137E+01 9.5195E+00 H2 450 1.008000 0.423800 1.6524E+01 1.8159E+01 1.0752E+01 O6 451 15.999400 -0.847600 3.5030E+00 -3.8807E+00 1.2080E+01 H1 452 1.008000 0.423800 3.1407E+00 -4.0816E+00 1.2990E+01 H2 453 1.008000 0.423800 4.1283E+00 -3.1022E+00 1.2134E+01 O6 454 15.999400 -0.847600 -5.3372E+00 8.8223E+00 -1.2384E+01 H1 455 1.008000 0.423800 -6.0509E+00 9.4738E+00 -1.2126E+01 H2 456 1.008000 0.423800 -4.8648E+00 9.1511E+00 -1.3201E+01 O6 457 15.999400 -0.847600 -2.8947E+00 -1.2712E+01 -1.6763E+01 H1 458 1.008000 0.423800 -3.7557E+00 -1.3175E+01 -1.6552E+01 H2 459 1.008000 0.423800 -2.3410E+00 -1.3294E+01 -1.7359E+01 O6 460 15.999400 -0.847600 3.2905E+00 1.7900E+01 5.3285E+00 H1 461 1.008000 0.423800 2.3469E+00 1.7572E+01 5.2857E+00 H2 462 1.008000 0.423800 3.2970E+00 1.8859E+01 5.6131E+00 O6 463 15.999400 -0.847600 -1.1808E+01 1.6993E+01 1.8996E+01 H1 464 1.008000 0.423800 -1.1986E+01 1.7514E+01 1.8161E+01 H2 465 1.008000 0.423800 -1.2119E+01 1.6051E+01 1.8874E+01 O6 466 15.999400 -0.847600 1.8712E+01 -2.8529E+00 2.8327E+00 H1 467 1.008000 0.423800 -1.9424E+01 -2.8516E+00 3.1091E+00 H2 468 1.008000 0.423800 1.8553E+01 -2.1149E+00 2.1769E+00 O6 469 15.999400 -0.847600 -1.7877E+01 -1.6386E+01 -5.7635E-01 H1 470 1.008000 0.423800 -1.7821E+01 -1.5456E+01 -2.1222E-01 H2 471 1.008000 0.423800 -1.7529E+01 -1.7031E+01 1.0339E-01 O6 472 15.999400 -0.847600 -1.5597E+01 -7.2610E+00 -1.0609E+01 H1 473 1.008000 0.423800 -1.5397E+01 -6.6498E+00 -9.8431E+00 H2 474 1.008000 0.423800 -1.6553E+01 -7.5498E+00 -1.0564E+01 O6 475 15.999400 -0.847600 1.2172E-01 1.1392E+01 -1.3029E+01 H1 476 1.008000 0.423800 4.0808E-01 1.2296E+01 -1.2711E+01 H2 477 1.008000 0.423800 -5.4968E-01 1.1012E+01 -1.2392E+01 O6 478 15.999400 -0.847600 1.5405E+01 -8.0930E+00 1.3978E+01 H1 479 1.008000 0.423800 1.5821E+01 -8.5953E+00 1.4736E+01 H2 480 1.008000 0.423800 1.5621E+01 -8.5513E+00 1.3116E+01 O6 481 15.999400 -0.847600 -1.3499E+01 1.5598E+01 -2.5038E+00 H1 482 1.008000 0.423800 -1.3870E+01 1.5226E+01 -3.3548E+00 H2 483 1.008000 0.423800 -1.3086E+01 1.4860E+01 -1.9697E+00 O6 484 15.999400 -0.847600 7.8776E+00 7.0102E+00 -9.1561E+00 H1 485 1.008000 0.423800 7.1894E+00 6.8734E+00 -8.4437E+00 H2 486 1.008000 0.423800 8.7881E+00 6.8493E+00 -8.7753E+00 O6 487 15.999400 -0.847600 2.7308E+00 -1.9221E+00 1.4226E+01 H1 488 1.008000 0.423800 2.0610E+00 -1.4637E+00 1.4810E+01 H2 489 1.008000 0.423800 3.6532E+00 -1.6476E+00 1.4498E+01 O6 490 15.999400 -0.847600 -1.0921E+01 1.9384E+01 -1.0892E+01 H1 491 1.008000 0.423800 -1.0286E+01 1.9345E+01 -1.1663E+01 H2 492 1.008000 0.423800 -1.0408E+01 1.9526E+01 -1.0045E+01 O6 493 15.999400 -0.847600 -1.7852E+01 -1.0021E+01 -1.2555E+01 H1 494 1.008000 0.423800 -1.7558E+01 -1.0868E+01 -1.2112E+01 H2 495 1.008000 0.423800 -1.7627E+01 -1.0058E+01 -1.3528E+01 O6 496 15.999400 -0.847600 -8.7431E+00 -1.1880E+01 -6.3311E+00 H1 497 1.008000 0.423800 -9.1183E+00 -1.1483E+01 -5.4932E+00 H2 498 1.008000 0.423800 -8.6296E+00 -1.2866E+01 -6.2111E+00 O6 499 15.999400 -0.847600 -9.2635E+00 -1.9320E+01 -1.2874E+01 H1 500 1.008000 0.423800 -9.1420E+00 1.9108E+01 -1.3607E+01 H2 501 1.008000 0.423800 -8.3681E+00 -1.9015E+01 -1.2550E+01 O6 502 15.999400 -0.847600 -1.7214E+01 1.4214E+01 -6.5578E+00 H1 503 1.008000 0.423800 -1.7583E+01 1.4866E+01 -7.2200E+00 H2 504 1.008000 0.423800 -1.7935E+01 1.3581E+01 -6.2768E+00 O6 505 15.999400 -0.847600 -1.0016E+01 -5.0143E+00 2.3084E+00 H1 506 1.008000 0.423800 -9.8899E+00 -5.0184E+00 1.3164E+00 H2 507 1.008000 0.423800 -9.6609E+00 -4.1593E+00 2.6861E+00 O6 508 15.999400 -0.847600 1.5564E+01 2.2239E+00 -6.5019E+00 H1 509 1.008000 0.423800 1.4931E+01 1.5524E+00 -6.1163E+00 H2 510 1.008000 0.423800 1.6469E+01 1.8095E+00 -6.6036E+00 O6 511 15.999400 -0.847600 9.6222E-01 -1.1517E+01 -1.5295E+01 H1 512 1.008000 0.423800 5.2920E-01 -1.0616E+01 -1.5316E+01 H2 513 1.008000 0.423800 1.8753E+00 -1.1439E+01 -1.4895E+01 O6 514 15.999400 -0.847600 1.5859E+01 1.0693E+01 -2.3868E+00 H1 515 1.008000 0.423800 1.6046E+01 1.1196E+01 -3.2303E+00 H2 516 1.008000 0.423800 1.6719E+01 1.0369E+01 -1.9942E+00 O6 517 15.999400 -0.847600 4.2942E+00 -1.5929E+01 1.3497E+01 H1 518 1.008000 0.423800 4.5047E+00 -1.6422E+01 1.2652E+01 H2 519 1.008000 0.423800 3.5805E+00 -1.6418E+01 1.3999E+01 O6 520 15.999400 -0.847600 2.8522E+00 1.1314E+01 -9.4788E+00 H1 521 1.008000 0.423800 2.0681E+00 1.1827E+01 -9.1293E+00 H2 522 1.008000 0.423800 3.3337E+00 1.1865E+01 -1.0160E+01 O6 523 15.999400 -0.847600 -6.5537E+00 1.9300E+01 1.4744E+01 H1 524 1.008000 0.423800 -6.7064E+00 -1.9450E+01 1.5669E+01 H2 525 1.008000 0.423800 -5.8492E+00 -1.9249E+01 1.4293E+01 O6 526 15.999400 -0.847600 1.3816E+00 -7.5293E+00 -1.6238E+01 H1 527 1.008000 0.423800 1.0988E+00 -7.1705E+00 -1.7127E+01 H2 528 1.008000 0.423800 7.9315E-01 -8.2976E+00 -1.5986E+01 O6 529 15.999400 -0.847600 -1.0206E+01 1.8682E+01 1.6907E+00 H1 530 1.008000 0.423800 -1.1114E+01 1.8272E+01 1.6022E+00 H2 531 1.008000 0.423800 -9.7845E+00 1.8755E+01 7.8711E-01 O6 532 15.999400 -0.847600 -2.0491E+00 -1.3765E+00 -4.3254E+00 H1 533 1.008000 0.423800 -2.9723E+00 -1.6644E+00 -4.5799E+00 H2 534 1.008000 0.423800 -1.4383E+00 -2.1682E+00 -4.3360E+00 O6 535 15.999400 -0.847600 -1.4783E+01 8.1673E+00 1.6453E+01 H1 536 1.008000 0.423800 -1.5059E+01 8.1229E+00 1.7413E+01 H2 537 1.008000 0.423800 -1.4713E+01 7.2409E+00 1.6083E+01 O6 538 15.999400 -0.847600 7.2133E-01 -4.7309E+00 2.9952E+00 H1 539 1.008000 0.423800 -1.1801E-01 -4.2035E+00 3.1270E+00 H2 540 1.008000 0.423800 6.0786E-01 -5.3489E+00 2.2173E+00 O6 541 15.999400 -0.847600 1.7630E+01 -6.5146E+00 1.4992E+01 H1 542 1.008000 0.423800 1.7887E+01 -7.4750E+00 1.5098E+01 H2 543 1.008000 0.423800 1.7367E+01 -6.1395E+00 1.5881E+01 O6 544 15.999400 -0.847600 -1.3930E+01 -1.0230E+01 -4.9059E+00 H1 545 1.008000 0.423800 -1.3554E+01 -9.3748E+00 -4.5489E+00 H2 546 1.008000 0.423800 -1.4520E+01 -1.0034E+01 -5.6889E+00 O6 547 15.999400 -0.847600 -1.5483E+01 3.1304E+00 -4.7129E+00 H1 548 1.008000 0.423800 -1.6079E+01 3.9301E+00 -4.7885E+00 H2 549 1.008000 0.423800 -1.6009E+01 2.3033E+00 -4.9118E+00 O6 550 15.999400 -0.847600 -2.9749E+00 -1.8611E+00 -1.6882E+00 H1 551 1.008000 0.423800 -2.6302E+00 -2.0197E+00 -2.6135E+00 H2 552 1.008000 0.423800 -2.2570E+00 -1.4420E+00 -1.1324E+00 O6 553 15.999400 -0.847600 1.2103E+01 1.7869E+01 6.6927E+00 H1 554 1.008000 0.423800 1.2719E+01 1.7601E+01 5.9521E+00 H2 555 1.008000 0.423800 1.1288E+01 1.8302E+01 6.3078E+00 O6 556 15.999400 -0.847600 1.3183E+01 7.8396E+00 9.0444E+00 H1 557 1.008000 0.423800 1.2599E+01 8.5939E+00 9.3438E+00 H2 558 1.008000 0.423800 1.4126E+01 8.0170E+00 9.3252E+00 O6 559 15.999400 -0.847600 -8.3511E+00 -1.6591E+01 4.2497E+00 H1 560 1.008000 0.423800 -7.5318E+00 -1.7129E+01 4.4501E+00 H2 561 1.008000 0.423800 -8.8692E+00 -1.7034E+01 3.5179E+00 O6 562 15.999400 -0.847600 -6.9492E+00 -1.8572E+00 3.9522E+00 H1 563 1.008000 0.423800 -7.0418E+00 -1.6682E+00 2.9746E+00 H2 564 1.008000 0.423800 -7.8552E+00 -1.8769E+00 4.3751E+00 O6 565 15.999400 -0.847600 -1.4811E+01 1.3494E+01 1.2917E+01 H1 566 1.008000 0.423800 -1.4187E+01 1.2869E+01 1.3386E+01 H2 567 1.008000 0.423800 -1.5368E+01 1.2982E+01 1.2263E+01 O6 568 15.999400 -0.847600 6.4909E-01 -4.0007E+00 1.9509E+01 H1 569 1.008000 0.423800 -1.5902E-01 -4.5881E+00 1.9466E+01 H2 570 1.008000 0.423800 1.4148E+00 -4.4529E+00 1.9052E+01 O6 571 15.999400 -0.847600 -1.9411E+01 -1.5090E+01 8.1738E+00 H1 572 1.008000 0.423800 -1.8721E+01 -1.4823E+01 8.8467E+00 H2 573 1.008000 0.423800 -1.9399E+01 -1.6084E+01 8.0612E+00 O6 574 15.999400 -0.847600 1.4250E+01 9.6264E+00 1.2815E+01 H1 575 1.008000 0.423800 1.5213E+01 9.5467E+00 1.3073E+01 H2 576 1.008000 0.423800 1.3811E+01 1.0325E+01 1.3379E+01 O6 577 15.999400 -0.847600 1.1074E+01 -5.4196E-01 1.3729E+01 H1 578 1.008000 0.423800 1.1084E+01 4.1927E-01 1.3454E+01 H2 579 1.008000 0.423800 1.1889E+01 -9.9949E-01 1.3373E+01 O6 580 15.999400 -0.847600 -1.6843E+01 -1.3520E+01 3.0590E+00 H1 581 1.008000 0.423800 -1.7523E+01 -1.3721E+01 3.7646E+00 H2 582 1.008000 0.423800 -1.7307E+01 -1.3235E+01 2.2206E+00 O6 583 15.999400 -0.847600 1.7807E+01 -7.3972E+00 1.3100E+00 H1 584 1.008000 0.423800 1.6890E+01 -7.5808E+00 1.6633E+00 H2 585 1.008000 0.423800 1.7818E+01 -7.5399E+00 3.2031E-01 O6 586 15.999400 -0.847600 -9.7354E+00 -1.0075E+01 -8.3077E+00 H1 587 1.008000 0.423800 -9.3506E+00 -1.0792E+01 -7.7254E+00 H2 588 1.008000 0.423800 -1.0640E+01 -1.0357E+01 -8.6279E+00 O6 589 15.999400 -0.847600 -1.4098E+01 -5.9940E+00 1.6903E+01 H1 590 1.008000 0.423800 -1.4149E+01 -6.2569E+00 1.7866E+01 H2 591 1.008000 0.423800 -1.3772E+01 -5.0512E+00 1.6832E+01 O6 592 15.999400 -0.847600 -1.2591E+01 1.3509E+01 9.9492E+00 H1 593 1.008000 0.423800 -1.2016E+01 1.3671E+01 9.1469E+00 H2 594 1.008000 0.423800 -1.3303E+01 1.4210E+01 9.9950E+00 O6 595 15.999400 -0.847600 3.3387E+00 2.4513E+00 -8.8256E+00 H1 596 1.008000 0.423800 2.7570E+00 1.6974E+00 -9.1310E+00 H2 597 1.008000 0.423800 3.7083E+00 2.9306E+00 -9.6216E+00 O6 598 15.999400 -0.847600 6.6709E+00 -1.5590E+01 -1.2029E+01 H1 599 1.008000 0.423800 6.3882E+00 -1.5872E+01 -1.1112E+01 H2 600 1.008000 0.423800 7.5269E+00 -1.6047E+01 -1.2270E+01 O6 601 15.999400 -0.847600 -1.3899E+01 1.5716E+01 5.3979E+00 H1 602 1.008000 0.423800 -1.3939E+01 1.6066E+01 6.3335E+00 H2 603 1.008000 0.423800 -1.3690E+01 1.6465E+01 4.7698E+00 O6 604 15.999400 -0.847600 1.4010E+01 5.7320E-01 -1.4793E+01 H1 605 1.008000 0.423800 1.3155E+01 1.0876E+00 -1.4857E+01 H2 606 1.008000 0.423800 1.4587E+01 9.7313E-01 -1.4081E+01 O6 607 15.999400 -0.847600 8.1249E+00 1.7826E+01 1.7031E+01 H1 608 1.008000 0.423800 8.4084E+00 1.8430E+01 1.7776E+01 H2 609 1.008000 0.423800 7.7092E+00 1.8369E+01 1.6302E+01 O6 610 15.999400 -0.847600 1.2564E+01 -4.7364E+00 -1.4904E+01 H1 611 1.008000 0.423800 1.3050E+01 -3.8627E+00 -1.4927E+01 H2 612 1.008000 0.423800 1.2528E+01 -5.1219E+00 -1.5826E+01 O6 613 15.999400 -0.847600 -4.0765E+00 1.2911E+01 -4.7395E+00 H1 614 1.008000 0.423800 -5.0081E+00 1.2959E+01 -4.3791E+00 H2 615 1.008000 0.423800 -3.4874E+00 1.2446E+01 -4.0789E+00 O6 616 15.999400 -0.847600 -5.4227E+00 -1.3533E+01 -1.6122E+01 H1 617 1.008000 0.423800 -5.4494E+00 -1.3464E+01 -1.5125E+01 H2 618 1.008000 0.423800 -6.1918E+00 -1.4088E+01 -1.6438E+01 O6 619 15.999400 -0.847600 1.6344E+01 -1.8160E+00 -6.6702E+00 H1 620 1.008000 0.423800 1.5647E+01 -2.4383E+00 -7.0269E+00 H2 621 1.008000 0.423800 1.5932E+01 -1.2087E+00 -5.9909E+00 O6 622 15.999400 -0.847600 1.0793E+01 -4.3447E-01 -1.9529E+01 H1 623 1.008000 0.423800 1.1213E+01 -4.5144E-01 1.8661E+01 H2 624 1.008000 0.423800 1.0606E+01 -1.3704E+00 -1.9231E+01 O6 625 15.999400 -0.847600 1.3939E+01 -1.4567E+01 6.3105E+00 H1 626 1.008000 0.423800 1.4330E+01 -1.5187E+01 6.9913E+00 H2 627 1.008000 0.423800 1.4562E+01 -1.4494E+01 5.5310E+00 O6 628 15.999400 -0.847600 9.3741E+00 1.9285E+01 -1.0508E+01 H1 629 1.008000 0.423800 9.8276E+00 -1.9429E+01 -9.7042E+00 H2 630 1.008000 0.423800 9.0087E+00 1.8381E+01 -1.0285E+01 O6 631 15.999400 -0.847600 6.3370E+00 -3.9475E+00 -1.1913E+01 H1 632 1.008000 0.423800 6.8703E+00 -4.4242E+00 -1.1214E+01 H2 633 1.008000 0.423800 5.3841E+00 -3.8808E+00 -1.1617E+01 O6 634 15.999400 -0.847600 1.4295E+01 8.2943E+00 -2.8308E+00 H1 635 1.008000 0.423800 1.5104E+01 8.8770E+00 -2.7444E+00 H2 636 1.008000 0.423800 1.3527E+01 8.7175E+00 -2.3514E+00 O6 637 15.999400 -0.847600 -1.8228E+01 1.2594E+01 -9.3787E+00 H1 638 1.008000 0.423800 -1.9014E+01 1.3118E+01 -9.7069E+00 H2 639 1.008000 0.423800 -1.7396E+01 1.3138E+01 -9.4873E+00 O6 640 15.999400 -0.847600 -1.2510E+01 1.3467E+00 1.5018E+01 H1 641 1.008000 0.423800 -1.2836E+01 6.5911E-01 1.4369E+01 H2 642 1.008000 0.423800 -1.1774E+01 9.5885E-01 1.5572E+01 O6 643 15.999400 -0.847600 -1.1913E+01 1.0923E+01 3.4146E+00 H1 644 1.008000 0.423800 -1.1403E+01 1.0651E+01 4.2303E+00 H2 645 1.008000 0.423800 -1.2126E+01 1.1899E+01 3.4657E+00 O6 646 15.999400 -0.847600 1.3569E+01 -1.3486E+01 -8.6853E+00 H1 647 1.008000 0.423800 1.4020E+01 -1.2889E+01 -9.3485E+00 H2 648 1.008000 0.423800 1.4236E+01 -1.4128E+01 -8.3075E+00 O6 649 15.999400 -0.847600 2.4203E+00 -1.3972E+00 -3.8334E+00 H1 650 1.008000 0.423800 3.0331E+00 -1.5563E+00 -3.0593E+00 H2 651 1.008000 0.423800 2.8948E+00 -8.5702E-01 -4.5284E+00 O6 652 15.999400 -0.847600 -1.3969E+01 2.7127E+00 -1.8413E+00 H1 653 1.008000 0.423800 -1.4614E+01 2.3932E+00 -1.1469E+00 H2 654 1.008000 0.423800 -1.4467E+01 2.9486E+00 -2.6755E+00 O6 655 15.999400 -0.847600 -1.4269E+01 1.9371E+01 7.3066E+00 H1 656 1.008000 0.423800 -1.4468E+01 1.9299E+01 6.3292E+00 H2 657 1.008000 0.423800 -1.4326E+01 -1.8769E+01 7.5883E+00 O6 658 15.999400 -0.847600 1.7334E+01 -3.3990E-01 -1.4518E+01 H1 659 1.008000 0.423800 1.7148E+01 -3.6411E-01 -1.5500E+01 H2 660 1.008000 0.423800 1.6718E+01 3.1254E-01 -1.4077E+01 O6 661 15.999400 -0.847600 -3.9449E+00 1.9467E+01 -9.6598E+00 H1 662 1.008000 0.423800 -4.3184E+00 -1.9269E+01 -8.8053E+00 H2 663 1.008000 0.423800 -4.2379E+00 -1.9053E+01 -1.0422E+01 O6 664 15.999400 -0.847600 -1.2686E+01 -1.7928E+01 -9.8413E+00 H1 665 1.008000 0.423800 -1.2199E+01 -1.8752E+01 -1.0132E+01 H2 666 1.008000 0.423800 -1.2188E+01 -1.7495E+01 -9.0900E+00 O6 667 15.999400 -0.847600 1.6319E+01 -1.6488E+01 1.7017E+01 H1 668 1.008000 0.423800 1.6578E+01 -1.5522E+01 1.7025E+01 H2 669 1.008000 0.423800 1.6351E+01 -1.6834E+01 1.6080E+01 O6 670 15.999400 -0.847600 6.8977E+00 -1.6332E+01 -6.7651E+00 H1 671 1.008000 0.423800 7.8553E+00 -1.6553E+01 -6.9505E+00 H2 672 1.008000 0.423800 6.5082E+00 -1.7024E+01 -6.1568E+00 O6 673 15.999400 -0.847600 -5.5647E+00 1.4814E+01 1.6412E+01 H1 674 1.008000 0.423800 -5.7201E+00 1.3945E+01 1.5942E+01 H2 675 1.008000 0.423800 -5.3801E+00 1.5529E+01 1.5738E+01 O6 676 15.999400 -0.847600 -1.2506E+01 3.0497E+00 3.1836E-01 H1 677 1.008000 0.423800 -1.2307E+01 3.9381E+00 7.3251E-01 H2 678 1.008000 0.423800 -1.2973E+01 3.1860E+00 -5.5486E-01 O6 679 15.999400 -0.847600 1.1972E+01 -5.1195E+00 8.3277E+00 H1 680 1.008000 0.423800 1.2868E+01 -5.4229E+00 8.0015E+00 H2 681 1.008000 0.423800 1.1653E+01 -4.3584E+00 7.7634E+00 O6 682 15.999400 -0.847600 -3.3051E+00 1.9518E+01 6.8018E+00 H1 683 1.008000 0.423800 -3.6532E+00 -1.9356E+01 5.8913E+00 H2 684 1.008000 0.423800 -3.8228E+00 1.8750E+01 7.1776E+00 O6 685 15.999400 -0.847600 5.2263E-02 2.1658E-01 -3.4096E+00 H1 686 1.008000 0.423800 -7.8648E-01 -1.8501E-01 -3.7774E+00 H2 687 1.008000 0.423800 8.4052E-01 -3.1311E-01 -3.7228E+00 O6 688 15.999400 -0.847600 -1.2623E+01 -1.7570E+01 1.4310E+01 H1 689 1.008000 0.423800 -1.3497E+01 -1.7110E+01 1.4470E+01 H2 690 1.008000 0.423800 -1.1961E+01 -1.7276E+01 1.5000E+01 O6 691 15.999400 -0.847600 -6.7832E+00 3.0782E+00 1.0870E+01 H1 692 1.008000 0.423800 -7.1258E+00 3.2503E+00 9.9461E+00 H2 693 1.008000 0.423800 -6.9097E+00 3.8967E+00 1.1430E+01 O6 694 15.999400 -0.847600 3.8028E-01 4.7130E+00 2.1907E+00 H1 695 1.008000 0.423800 7.9535E-01 3.8722E+00 1.8432E+00 H2 696 1.008000 0.423800 -6.1509E-01 4.6466E+00 2.1214E+00 O6 697 15.999400 -0.847600 1.3047E+01 7.2920E+00 1.3244E+01 H1 698 1.008000 0.423800 1.2225E+01 7.1119E+00 1.2704E+01 H2 699 1.008000 0.423800 1.3330E+01 8.2423E+00 1.3114E+01 O6 700 15.999400 -0.847600 1.5686E+01 -4.2075E+00 1.9381E+01 H1 701 1.008000 0.423800 1.5206E+01 -3.8621E+00 -1.8909E+01 H2 702 1.008000 0.423800 1.5105E+01 -4.0947E+00 1.8575E+01 O6 703 15.999400 -0.847600 -1.4839E+01 8.5808E+00 -7.8694E+00 H1 704 1.008000 0.423800 -1.3869E+01 8.3385E+00 -7.8619E+00 H2 705 1.008000 0.423800 -1.4936E+01 9.5626E+00 -8.0325E+00 O6 706 15.999400 -0.847600 -1.0789E+01 8.6146E+00 2.6415E+00 H1 707 1.008000 0.423800 -9.9908E+00 8.1455E+00 2.2639E+00 H2 708 1.008000 0.423800 -1.0908E+01 8.3515E+00 3.5989E+00 O6 709 15.999400 -0.847600 -1.8925E+01 1.3636E+01 8.9663E+00 H1 710 1.008000 0.423800 -1.8138E+01 1.4084E+01 8.5422E+00 H2 711 1.008000 0.423800 -1.8888E+01 1.3764E+01 9.9574E+00 O6 712 15.999400 -0.847600 -1.4937E+01 -1.8799E+01 -1.4537E+01 H1 713 1.008000 0.423800 -1.5188E+01 -1.7986E+01 -1.4011E+01 H2 714 1.008000 0.423800 -1.4061E+01 -1.9152E+01 -1.4206E+01 O6 715 15.999400 -0.847600 9.9264E+00 -1.1598E+01 8.6231E+00 H1 716 1.008000 0.423800 1.0708E+01 -1.1908E+01 8.0826E+00 H2 717 1.008000 0.423800 1.0196E+01 -1.0811E+01 9.1783E+00 O6 718 15.999400 -0.847600 4.9843E+00 -1.6445E+01 5.4098E+00 H1 719 1.008000 0.423800 4.2270E+00 -1.5843E+01 5.6649E+00 H2 720 1.008000 0.423800 5.4818E+00 -1.6721E+01 6.2320E+00 O6 721 15.999400 -0.847600 -5.8168E+00 -1.2863E+01 -5.5897E+00 H1 722 1.008000 0.423800 -5.4055E+00 -1.2508E+01 -6.4291E+00 H2 723 1.008000 0.423800 -6.6298E+00 -1.3399E+01 -5.8180E+00 O6 724 15.999400 -0.847600 -8.4471E+00 1.6672E+01 2.5502E+00 H1 725 1.008000 0.423800 -9.1489E+00 1.5960E+01 2.5402E+00 H2 726 1.008000 0.423800 -8.8461E+00 1.7537E+01 2.2463E+00 O6 727 15.999400 -0.847600 -9.8562E+00 9.5499E+00 -1.6615E+01 H1 728 1.008000 0.423800 -9.0094E+00 9.9814E+00 -1.6304E+01 H2 729 1.008000 0.423800 -1.0047E+01 9.8300E+00 -1.7556E+01 O6 730 15.999400 -0.847600 -9.7163E+00 1.0498E+01 1.0325E+01 H1 731 1.008000 0.423800 -9.8607E+00 1.0032E+01 1.1198E+01 H2 732 1.008000 0.423800 -8.8259E+00 1.0953E+01 1.0333E+01 O6 733 15.999400 -0.847600 6.8939E+00 8.7330E+00 1.7262E+01 H1 734 1.008000 0.423800 5.9350E+00 8.6723E+00 1.6985E+01 H2 735 1.008000 0.423800 7.0262E+00 8.2294E+00 1.8116E+01 O6 736 15.999400 -0.847600 -1.7464E+01 -1.6468E+01 1.3403E+01 H1 737 1.008000 0.423800 -1.7813E+01 -1.7378E+01 1.3627E+01 H2 738 1.008000 0.423800 -1.8172E+01 -1.5785E+01 1.3585E+01 O6 739 15.999400 -0.847600 1.2035E+01 1.3670E+00 -9.8727E+00 H1 740 1.008000 0.423800 1.2253E+01 1.8359E+00 -1.0729E+01 H2 741 1.008000 0.423800 1.2689E+01 6.2549E-01 -9.7230E+00 O6 742 15.999400 -0.847600 -1.1136E+01 -1.4611E+01 9.2885E+00 H1 743 1.008000 0.423800 -1.0542E+01 -1.4525E+01 1.0089E+01 H2 744 1.008000 0.423800 -1.2091E+01 -1.4632E+01 9.5829E+00 O6 745 15.999400 -0.847600 -1.9316E+01 -7.3261E+00 1.8493E+01 H1 746 1.008000 0.423800 -1.8758E+01 -7.0556E+00 1.7709E+01 H2 747 1.008000 0.423800 -1.9152E+01 -6.6961E+00 1.9252E+01 O6 748 15.999400 -0.847600 -6.9417E+00 -1.0940E+01 -1.5930E+01 H1 749 1.008000 0.423800 -6.5980E+00 -1.1775E+01 -1.6359E+01 H2 750 1.008000 0.423800 -7.8863E+00 -1.0782E+01 -1.6218E+01 O6 751 15.999400 -0.847600 1.2784E+00 1.3865E+01 -1.2080E+01 H1 752 1.008000 0.423800 1.1152E+00 1.4548E+01 -1.1368E+01 H2 753 1.008000 0.423800 2.0761E+00 1.4132E+01 -1.2621E+01 O6 754 15.999400 -0.847600 -1.5475E+01 -3.0152E+00 -2.8046E+00 H1 755 1.008000 0.423800 -1.5417E+01 -2.0597E+00 -3.0938E+00 H2 756 1.008000 0.423800 -1.4661E+01 -3.2532E+00 -2.2751E+00 O6 757 15.999400 -0.847600 -5.6495E-01 -9.0538E-01 5.2727E+00 H1 758 1.008000 0.423800 -6.9323E-01 -1.6912E+00 4.6676E+00 H2 759 1.008000 0.423800 -1.4566E+00 -5.6905E-01 5.5757E+00 O6 760 15.999400 -0.847600 8.9338E+00 1.7011E+01 1.2740E+01 H1 761 1.008000 0.423800 9.0120E+00 1.7796E+01 1.3355E+01 H2 762 1.008000 0.423800 8.6990E+00 1.7329E+01 1.1821E+01 O6 763 15.999400 -0.847600 -5.6679E+00 2.8211E+00 -1.1199E+01 H1 764 1.008000 0.423800 -4.7825E+00 3.2015E+00 -1.0932E+01 H2 765 1.008000 0.423800 -5.8979E+00 2.0569E+00 -1.0597E+01 O6 766 15.999400 -0.847600 9.1615E+00 -4.5992E+00 -1.3985E+00 H1 767 1.008000 0.423800 9.0931E+00 -5.5530E+00 -1.6908E+00 H2 768 1.008000 0.423800 9.3073E+00 -4.0154E+00 -2.1972E+00 O6 769 15.999400 -0.847600 1.3743E+01 5.8894E+00 -3.4449E+00 H1 770 1.008000 0.423800 1.4469E+01 5.3760E+00 -3.9019E+00 H2 771 1.008000 0.423800 1.4070E+01 6.8089E+00 -3.2278E+00 O6 772 15.999400 -0.847600 -1.6634E+01 6.1116E+00 9.6407E+00 H1 773 1.008000 0.423800 -1.7438E+01 5.8192E+00 1.0160E+01 H2 774 1.008000 0.423800 -1.6764E+01 7.0524E+00 9.3276E+00 O6 775 15.999400 -0.847600 1.8548E+01 1.5964E+01 1.4674E+01 H1 776 1.008000 0.423800 1.8948E+01 1.5362E+01 1.5366E+01 H2 777 1.008000 0.423800 1.8884E+01 1.6896E+01 1.4810E+01 O6 778 15.999400 -0.847600 -1.1676E+01 1.7516E+01 -1.8785E+00 H1 779 1.008000 0.423800 -1.2495E+01 1.6972E+01 -2.0620E+00 H2 780 1.008000 0.423800 -1.1083E+01 1.7507E+01 -2.6837E+00 O6 781 15.999400 -0.847600 1.8366E+00 -8.2422E+00 3.0497E+00 H1 782 1.008000 0.423800 1.9411E+00 -9.2329E+00 2.9627E+00 H2 783 1.008000 0.423800 2.6951E+00 -7.8436E+00 3.3723E+00 O6 784 15.999400 -0.847600 1.2958E+01 1.3991E+01 -7.0568E+00 H1 785 1.008000 0.423800 1.2592E+01 1.3825E+01 -6.1410E+00 H2 786 1.008000 0.423800 1.2203E+01 1.4158E+01 -7.6917E+00 O6 787 15.999400 -0.847600 6.3686E+00 1.1201E+01 -8.4576E+00 H1 788 1.008000 0.423800 7.1872E+00 1.0998E+01 -7.9204E+00 H2 789 1.008000 0.423800 5.6182E+00 1.1444E+01 -7.8427E+00 O6 790 15.999400 -0.847600 -9.7535E+00 1.6718E+01 -1.3730E+01 H1 791 1.008000 0.423800 -9.7069E+00 1.5837E+01 -1.4202E+01 H2 792 1.008000 0.423800 -9.4711E+00 1.6602E+01 -1.2778E+01 O6 793 15.999400 -0.847600 6.0797E+00 -1.1906E+01 -1.9305E+01 H1 794 1.008000 0.423800 6.1130E+00 -1.0909E+01 -1.9236E+01 H2 795 1.008000 0.423800 5.2442E+00 -1.2179E+01 1.9315E+01 O6 796 15.999400 -0.847600 5.1916E+00 1.6297E+01 1.2157E+01 H1 797 1.008000 0.423800 5.2670E+00 1.5403E+01 1.2598E+01 H2 798 1.008000 0.423800 4.3860E+00 1.6775E+01 1.2508E+01 O6 799 15.999400 -0.847600 9.5265E+00 -1.7243E+01 1.7407E+01 H1 800 1.008000 0.423800 9.4534E+00 -1.6340E+01 1.7832E+01 H2 801 1.008000 0.423800 9.0239E+00 -1.7911E+01 1.7955E+01 O6 802 15.999400 -0.847600 -1.8623E+01 8.7103E-02 7.4804E+00 H1 803 1.008000 0.423800 -1.9339E+01 5.3672E-01 6.9471E+00 H2 804 1.008000 0.423800 -1.9027E+01 -6.3950E-01 8.0359E+00 O6 805 15.999400 -0.847600 -1.9532E+01 -8.9314E+00 1.4335E+01 H1 806 1.008000 0.423800 -1.9423E+01 -9.9252E+00 1.4358E+01 H2 807 1.008000 0.423800 -1.9386E+01 -8.6014E+00 1.3403E+01 O6 808 15.999400 -0.847600 1.6033E+01 4.7711E+00 1.9943E+00 H1 809 1.008000 0.423800 1.6346E+01 4.9902E+00 1.0702E+00 H2 810 1.008000 0.423800 1.6354E+01 3.8582E+00 2.2471E+00 O6 811 15.999400 -0.847600 -5.3408E+00 -1.4836E+01 -3.3241E+00 H1 812 1.008000 0.423800 -5.4630E+00 -1.4201E+01 -4.0868E+00 H2 813 1.008000 0.423800 -4.4227E+00 -1.4726E+01 -2.9432E+00 O6 814 15.999400 -0.847600 -1.6902E+01 1.7238E+01 7.3028E+00 H1 815 1.008000 0.423800 -1.6644E+01 1.8066E+01 7.8015E+00 H2 816 1.008000 0.423800 -1.7890E+01 1.7237E+01 7.1484E+00 O6 817 15.999400 -0.847600 -1.6161E+01 1.2123E+01 1.1086E+01 H1 818 1.008000 0.423800 -1.6913E+01 1.1484E+01 1.1250E+01 H2 819 1.008000 0.423800 -1.5427E+01 1.1655E+01 1.0593E+01 O6 820 15.999400 -0.847600 -1.7764E+01 3.0093E+00 9.2756E+00 H1 821 1.008000 0.423800 -1.8420E+01 2.2675E+00 9.1346E+00 H2 822 1.008000 0.423800 -1.7437E+01 3.3377E+00 8.3896E+00 O6 823 15.999400 -0.847600 -4.2946E+00 -1.1385E+01 1.4755E+01 H1 824 1.008000 0.423800 -5.0804E+00 -1.0779E+01 1.4631E+01 H2 825 1.008000 0.423800 -4.5627E+00 -1.2325E+01 1.4546E+01 O6 826 15.999400 -0.847600 3.9159E-01 -1.2593E+00 1.3679E+00 H1 827 1.008000 0.423800 4.9541E-01 -5.4096E-01 2.0559E+00 H2 828 1.008000 0.423800 3.2660E-01 -2.1482E+00 1.8214E+00 O6 829 15.999400 -0.847600 1.9478E+01 1.7676E+01 1.7461E+01 H1 830 1.008000 0.423800 1.9186E+01 1.8632E+01 1.7483E+01 H2 831 1.008000 0.423800 1.8719E+01 1.7089E+01 1.7741E+01 O6 832 15.999400 -0.847600 -1.7100E+01 -1.3831E+01 -5.1264E+00 H1 833 1.008000 0.423800 -1.7134E+01 -1.4272E+01 -4.2297E+00 H2 834 1.008000 0.423800 -1.6527E+01 -1.3013E+01 -5.0735E+00 O6 835 15.999400 -0.847600 -1.8193E+01 -9.5720E+00 9.7821E+00 H1 836 1.008000 0.423800 -1.7603E+01 -8.9127E+00 9.3151E+00 H2 837 1.008000 0.423800 -1.8449E+01 -9.2126E+00 1.0679E+01 O6 838 15.999400 -0.847600 -2.7356E+00 9.7466E+00 1.1328E+01 H1 839 1.008000 0.423800 -3.4254E+00 1.0137E+01 1.1938E+01 H2 840 1.008000 0.423800 -2.2737E+00 8.9891E+00 1.1790E+01 O6 841 15.999400 -0.847600 -1.2117E+01 1.1333E+01 -7.5206E+00 H1 842 1.008000 0.423800 -1.1928E+01 1.2075E+01 -6.8776E+00 H2 843 1.008000 0.423800 -1.2884E+01 1.1589E+01 -8.1088E+00 O6 844 15.999400 -0.847600 3.6504E+00 1.5344E+01 1.7286E+01 H1 845 1.008000 0.423800 2.9743E+00 1.5460E+01 1.6558E+01 H2 846 1.008000 0.423800 3.3798E+00 1.4582E+01 1.7874E+01 O6 847 15.999400 -0.847600 1.2036E+01 -4.9239E+00 -1.7774E+01 H1 848 1.008000 0.423800 1.2715E+01 -4.1982E+00 -1.7883E+01 H2 849 1.008000 0.423800 1.2067E+01 -5.5307E+00 -1.8569E+01 O6 850 15.999400 -0.847600 -6.4007E+00 1.3437E+01 6.8310E+00 H1 851 1.008000 0.423800 -5.5194E+00 1.3029E+01 7.0687E+00 H2 852 1.008000 0.423800 -6.2489E+00 1.4283E+01 6.3198E+00 O6 853 15.999400 -0.847600 -1.9229E+01 -5.4041E+00 -2.9138E+00 H1 854 1.008000 0.423800 -1.9038E+01 -4.6464E+00 -3.5379E+00 H2 855 1.008000 0.423800 -1.8367E+01 -5.7955E+00 -2.5915E+00 O6 856 15.999400 -0.847600 1.4962E+01 -8.3487E+00 -1.1116E+01 H1 857 1.008000 0.423800 1.4794E+01 -8.7975E+00 -1.0238E+01 H2 858 1.008000 0.423800 1.4100E+01 -7.9976E+00 -1.1481E+01 O6 859 15.999400 -0.847600 5.9904E+00 4.3696E+00 -1.9157E+01 H1 860 1.008000 0.423800 5.9553E+00 4.4420E+00 -1.8160E+01 H2 861 1.008000 0.423800 5.0731E+00 4.5006E+00 -1.9533E+01 O6 862 15.999400 -0.847600 1.8571E+00 7.3328E+00 -1.2903E+01 H1 863 1.008000 0.423800 1.8254E+00 8.0776E+00 -1.2237E+01 H2 864 1.008000 0.423800 1.7025E+00 7.6998E+00 -1.3820E+01 O6 865 15.999400 -0.847600 1.3354E+01 -1.5325E+01 1.5514E+01 H1 866 1.008000 0.423800 1.2850E+01 -1.4627E+01 1.6023E+01 H2 867 1.008000 0.423800 1.3310E+01 -1.6194E+01 1.6007E+01 O6 868 15.999400 -0.847600 -7.0700E+00 -7.6765E+00 -9.0466E-01 H1 869 1.008000 0.423800 -6.2857E+00 -7.4812E+00 -1.4936E+00 H2 870 1.008000 0.423800 -7.7524E+00 -6.9528E+00 -1.0075E+00 O6 871 15.999400 -0.847600 -1.8472E+01 1.5077E+01 2.1541E+00 H1 872 1.008000 0.423800 -1.8083E+01 1.5145E+01 3.0732E+00 H2 873 1.008000 0.423800 -1.8965E+01 1.5920E+01 1.9381E+00 O6 874 15.999400 -0.847600 -1.1837E+01 1.5569E+01 1.3249E+01 H1 875 1.008000 0.423800 -1.2826E+01 1.5520E+01 1.3111E+01 H2 876 1.008000 0.423800 -1.1407E+01 1.4747E+01 1.2877E+01 O6 877 15.999400 -0.847600 -1.1267E+01 5.1714E+00 -1.5825E+01 H1 878 1.008000 0.423800 -1.1092E+01 6.1490E+00 -1.5942E+01 H2 879 1.008000 0.423800 -1.0473E+01 4.7391E+00 -1.5399E+01 O6 880 15.999400 -0.847600 -1.1232E+01 1.4589E+01 -1.0846E+01 H1 881 1.008000 0.423800 -1.0755E+01 1.3963E+01 -1.1463E+01 H2 882 1.008000 0.423800 -1.0673E+01 1.5406E+01 -1.0703E+01 O6 883 15.999400 -0.847600 -9.3296E+00 -6.6212E+00 -1.1063E+01 H1 884 1.008000 0.423800 -8.9907E+00 -7.0553E+00 -1.1897E+01 H2 885 1.008000 0.423800 -1.0294E+01 -6.8511E+00 -1.0935E+01 O6 886 15.999400 -0.847600 -9.5156E+00 -1.1413E+01 -3.8401E+00 H1 887 1.008000 0.423800 -9.9062E+00 -1.0754E+01 -3.1975E+00 H2 888 1.008000 0.423800 -8.5726E+00 -1.1616E+01 -3.5768E+00 O6 889 15.999400 -0.847600 9.1723E+00 -1.6593E+01 1.4828E+01 H1 890 1.008000 0.423800 1.0078E+01 -1.6479E+01 1.4420E+01 H2 891 1.008000 0.423800 9.2690E+00 -1.6784E+01 1.5805E+01 O6 892 15.999400 -0.847600 8.6326E+00 1.0534E+01 1.8536E+01 H1 893 1.008000 0.423800 8.1513E+00 1.0481E+01 1.9411E+01 H2 894 1.008000 0.423800 8.1362E+00 1.0002E+01 1.7850E+01 O6 895 15.999400 -0.847600 -1.6848E+01 -1.8363E+01 7.7353E-01 H1 896 1.008000 0.423800 -1.6496E+01 -1.8739E+01 -8.3760E-02 H2 897 1.008000 0.423800 -1.7063E+01 -1.9111E+01 1.4015E+00 O6 898 15.999400 -0.847600 4.5179E+00 -8.5951E+00 8.9034E+00 H1 899 1.008000 0.423800 4.3067E+00 -8.4332E+00 7.9394E+00 H2 900 1.008000 0.423800 3.8569E+00 -8.1094E+00 9.4754E+00 O6 901 15.999400 -0.847600 -1.9150E+01 1.1125E+01 -1.9091E+01 H1 902 1.008000 0.423800 -1.8846E+01 1.2077E+01 -1.9100E+01 H2 903 1.008000 0.423800 1.8948E+01 1.1095E+01 -1.9080E+01 O6 904 15.999400 -0.847600 -4.9579E+00 1.9316E+01 -6.9470E+00 H1 905 1.008000 0.423800 -5.8652E+00 -1.9361E+01 -6.9538E+00 H2 906 1.008000 0.423800 -5.0328E+00 1.8357E+01 -7.2200E+00 O6 907 15.999400 -0.847600 -6.6000E+00 7.2878E+00 1.5981E+01 H1 908 1.008000 0.423800 -6.7279E+00 6.3408E+00 1.5686E+01 H2 909 1.008000 0.423800 -7.3235E+00 7.8584E+00 1.5592E+01 O6 910 15.999400 -0.847600 -1.5886E+00 -7.0384E+00 1.1700E+01 H1 911 1.008000 0.423800 -1.1050E+00 -7.9059E+00 1.1817E+01 H2 912 1.008000 0.423800 -2.4102E+00 -7.1864E+00 1.1149E+01 O6 913 15.999400 -0.847600 -1.5895E+01 2.0101E+00 6.5886E-02 H1 914 1.008000 0.423800 -1.6611E+01 1.6178E+00 -5.1101E-01 H2 915 1.008000 0.423800 -1.5689E+01 1.3810E+00 8.1534E-01 O6 916 15.999400 -0.847600 8.7211E+00 1.8092E+01 -1.6224E+01 H1 917 1.008000 0.423800 8.5973E+00 1.7132E+01 -1.6476E+01 H2 918 1.008000 0.423800 8.8502E+00 1.8639E+01 -1.7051E+01 O6 919 15.999400 -0.847600 1.7139E+00 -1.4981E+00 -1.1293E+01 H1 920 1.008000 0.423800 7.5284E-01 -1.4597E+00 -1.1567E+01 H2 921 1.008000 0.423800 1.9197E+00 -7.2764E-01 -1.0690E+01 O6 922 15.999400 -0.847600 1.7263E+00 8.0485E+00 1.6506E+01 H1 923 1.008000 0.423800 1.2960E+00 8.7272E+00 1.5911E+01 H2 924 1.008000 0.423800 2.0570E+00 7.2830E+00 1.5954E+01 O6 925 15.999400 -0.847600 7.7137E+00 1.1378E+01 -4.8599E+00 H1 926 1.008000 0.423800 6.9557E+00 1.0798E+01 -4.5622E+00 H2 927 1.008000 0.423800 8.0207E+00 1.1087E+01 -5.7659E+00 O6 928 15.999400 -0.847600 5.4553E+00 1.1098E+01 8.2526E+00 H1 929 1.008000 0.423800 5.2510E+00 1.1568E+01 9.1112E+00 H2 930 1.008000 0.423800 5.9970E+00 1.0279E+01 8.4417E+00 O6 931 15.999400 -0.847600 -1.6510E+01 9.0523E+00 1.4161E+01 H1 932 1.008000 0.423800 -1.6206E+01 8.5615E+00 1.3344E+01 H2 933 1.008000 0.423800 -1.5901E+01 8.8377E+00 1.4924E+01 O6 934 15.999400 -0.847600 4.5457E+00 7.7874E+00 9.6676E+00 H1 935 1.008000 0.423800 4.5148E+00 7.1568E+00 8.8921E+00 H2 936 1.008000 0.423800 5.4705E+00 8.1565E+00 9.7603E+00 O6 937 15.999400 -0.847600 3.8558E+00 -7.9384E+00 -7.0674E+00 H1 938 1.008000 0.423800 3.2685E+00 -7.3452E+00 -6.5168E+00 H2 939 1.008000 0.423800 4.2751E+00 -7.4039E+00 -7.8013E+00 O6 940 15.999400 -0.847600 -5.1367E+00 -8.8477E+00 -1.6604E+01 H1 941 1.008000 0.423800 -5.4590E+00 -7.9496E+00 -1.6305E+01 H2 942 1.008000 0.423800 -5.7677E+00 -9.5529E+00 -1.6281E+01 O6 943 15.999400 -0.847600 4.3916E+00 -7.7122E+00 6.3607E+00 H1 944 1.008000 0.423800 4.9414E+00 -7.0433E+00 5.8603E+00 H2 945 1.008000 0.423800 4.1473E+00 -8.4660E+00 5.7508E+00 O6 946 15.999400 -0.847600 -7.4234E+00 -1.5141E+00 1.1433E+00 H1 947 1.008000 0.423800 -8.3363E+00 -1.5025E+00 7.3542E-01 H2 948 1.008000 0.423800 -7.0521E+00 -2.4417E+00 1.1029E+00 O6 949 15.999400 -0.847600 5.7505E+00 5.0386E+00 8.6586E+00 H1 950 1.008000 0.423800 5.1861E+00 5.6281E+00 8.0806E+00 H2 951 1.008000 0.423800 6.4093E+00 4.5463E+00 8.0898E+00 O6 952 15.999400 -0.847600 1.0367E+01 1.6654E+01 1.0656E+00 H1 953 1.008000 0.423800 1.0771E+01 1.6193E+01 2.7529E-01 H2 954 1.008000 0.423800 1.0905E+01 1.6446E+01 1.8830E+00 O6 955 15.999400 -0.847600 5.5442E+00 -7.3941E+00 -4.8267E+00 H1 956 1.008000 0.423800 4.7936E+00 -6.8159E+00 -4.5068E+00 H2 957 1.008000 0.423800 5.2945E+00 -7.8113E+00 -5.7005E+00 O6 958 15.999400 -0.847600 -1.8296E+01 -5.9169E+00 2.4312E+00 H1 959 1.008000 0.423800 -1.8149E+01 -5.4824E+00 3.3197E+00 H2 960 1.008000 0.423800 -1.9211E+01 -6.3187E+00 2.4046E+00 O6 961 15.999400 -0.847600 7.8156E+00 -1.6406E+01 -3.4060E+00 H1 962 1.008000 0.423800 7.2227E+00 -1.5751E+01 -3.8749E+00 H2 963 1.008000 0.423800 8.7116E+00 -1.6421E+01 -3.8499E+00 O6 964 15.999400 -0.847600 1.6339E+01 1.9245E+00 2.4220E+00 H1 965 1.008000 0.423800 1.5920E+01 1.0241E+00 2.5373E+00 H2 966 1.008000 0.423800 1.7286E+01 1.8147E+00 2.1188E+00 O6 967 15.999400 -0.847600 -8.4245E+00 -8.0533E+00 8.0488E+00 H1 968 1.008000 0.423800 -8.7618E+00 -8.2207E+00 8.9752E+00 H2 969 1.008000 0.423800 -7.7754E+00 -7.2928E+00 8.0628E+00 O6 970 15.999400 -0.847600 -1.9112E+01 2.9479E+00 5.0263E+00 H1 971 1.008000 0.423800 -1.9424E+01 2.1096E+00 5.4732E+00 H2 972 1.008000 0.423800 1.9212E+01 3.5686E+00 4.9040E+00 O6 973 15.999400 -0.847600 -2.8661E+00 -8.3200E+00 1.9233E+01 H1 974 1.008000 0.423800 -2.9522E+00 -9.0738E+00 -1.9213E+01 H2 975 1.008000 0.423800 -3.7744E+00 -7.9644E+00 1.9013E+01 O6 976 15.999400 -0.847600 7.4345E+00 -1.3453E+01 -1.7546E+01 H1 977 1.008000 0.423800 7.0791E+00 -1.3119E+01 -1.8419E+01 H2 978 1.008000 0.423800 7.9201E+00 -1.4315E+01 -1.7692E+01 O6 979 15.999400 -0.847600 7.3183E+00 -8.9734E+00 -1.1772E+01 H1 980 1.008000 0.423800 6.7994E+00 -9.8119E+00 -1.1939E+01 H2 981 1.008000 0.423800 7.0868E+00 -8.2944E+00 -1.2469E+01 O6 982 15.999400 -0.847600 -1.0548E+01 9.2620E-01 1.1424E+01 H1 983 1.008000 0.423800 -9.8288E+00 9.0978E-01 1.0729E+01 H2 984 1.008000 0.423800 -1.0166E+01 1.2414E+00 1.2292E+01 O6 985 15.999400 -0.847600 9.0304E-01 -6.7407E+00 1.4231E+01 H1 986 1.008000 0.423800 5.1224E-01 -7.6493E+00 1.4378E+01 H2 987 1.008000 0.423800 1.2596E+00 -6.6787E+00 1.3298E+01 O6 988 15.999400 -0.847600 8.8981E+00 6.7029E+00 1.3839E+01 H1 989 1.008000 0.423800 8.1235E+00 6.1629E+00 1.3509E+01 H2 990 1.008000 0.423800 9.7138E+00 6.1258E+00 1.3879E+01 O6 991 15.999400 -0.847600 -9.8398E+00 -5.2036E+00 -3.7855E+00 H1 992 1.008000 0.423800 -1.0730E+01 -5.0904E+00 -3.3445E+00 H2 993 1.008000 0.423800 -9.6168E+00 -4.3775E+00 -4.3030E+00 O6 994 15.999400 -0.847600 1.5760E+01 1.3667E+01 1.0812E+01 H1 995 1.008000 0.423800 1.6088E+01 1.3413E+01 1.1723E+01 H2 996 1.008000 0.423800 1.4824E+01 1.4012E+01 1.0879E+01 O6 997 15.999400 -0.847600 8.5210E+00 -1.3833E+01 9.5442E+00 H1 998 1.008000 0.423800 8.6601E+00 -1.2864E+01 9.3370E+00 H2 999 1.008000 0.423800 8.1429E+00 -1.4294E+01 8.7416E+00 O6 1000 15.999400 -0.847600 1.3739E+01 -1.0893E+01 1.8247E+01 H1 1001 1.008000 0.423800 1.4025E+01 -1.1764E+01 1.8647E+01 H2 1002 1.008000 0.423800 1.2826E+01 -1.0991E+01 1.7853E+01 O6 1003 15.999400 -0.847600 -9.7729E+00 -1.7548E+01 -2.2734E+00 H1 1004 1.008000 0.423800 -9.0403E+00 -1.6885E+01 -2.1199E+00 H2 1005 1.008000 0.423800 -1.0535E+01 -1.7351E+01 -1.6567E+00 O6 1006 15.999400 -0.847600 4.6989E+00 -7.9606E+00 1.3861E+00 H1 1007 1.008000 0.423800 3.9098E+00 -8.4834E+00 1.0633E+00 H2 1008 1.008000 0.423800 4.3825E+00 -7.1585E+00 1.8925E+00 O6 1009 15.999400 -0.847600 -4.7769E+00 1.3545E+01 -1.2632E+01 H1 1010 1.008000 0.423800 -4.0414E+00 1.4176E+01 -1.2878E+01 H2 1011 1.008000 0.423800 -5.2759E+00 1.3277E+01 -1.3457E+01 O6 1012 15.999400 -0.847600 7.8087E+00 1.1379E+00 5.6648E+00 H1 1013 1.008000 0.423800 7.1851E+00 9.0571E-01 4.9182E+00 H2 1014 1.008000 0.423800 8.5434E+00 1.7200E+00 5.3164E+00 O6 1015 15.999400 -0.847600 -4.7824E+00 -1.7824E+01 -1.5283E+01 H1 1016 1.008000 0.423800 -5.6868E+00 -1.7470E+01 -1.5044E+01 H2 1017 1.008000 0.423800 -4.0789E+00 -1.7252E+01 -1.4862E+01 O6 1018 15.999400 -0.847600 1.2640E+01 -5.1169E+00 -8.6086E+00 H1 1019 1.008000 0.423800 1.3469E+01 -5.3570E+00 -8.1032E+00 H2 1020 1.008000 0.423800 1.1981E+01 -4.6951E+00 -7.9864E+00 O6 1021 15.999400 -0.847600 -1.6308E+01 1.2512E+01 -1.2298E+01 H1 1022 1.008000 0.423800 -1.6999E+01 1.1990E+01 -1.2799E+01 H2 1023 1.008000 0.423800 -1.5668E+01 1.1882E+01 -1.1860E+01 O6 1024 15.999400 -0.847600 -7.7693E+00 -9.5768E+00 -1.0682E+01 H1 1025 1.008000 0.423800 -8.4663E+00 -9.6433E+00 -9.9682E+00 H2 1026 1.008000 0.423800 -7.9841E+00 -8.8101E+00 -1.1287E+01 O6 1027 15.999400 -0.847600 1.8371E+01 5.8218E+00 -1.1394E+01 H1 1028 1.008000 0.423800 1.8366E+01 6.3139E+00 -1.0524E+01 H2 1029 1.008000 0.423800 1.8262E+01 4.8425E+00 -1.1224E+01 O6 1030 15.999400 -0.847600 -5.9342E+00 7.4875E+00 1.8799E+01 H1 1031 1.008000 0.423800 -5.3905E+00 8.2776E+00 1.9083E+01 H2 1032 1.008000 0.423800 -6.0178E+00 7.4803E+00 1.7803E+01 O6 1033 15.999400 -0.847600 -1.3039E+01 6.6310E+00 -3.2785E+00 H1 1034 1.008000 0.423800 -1.3875E+01 6.1779E+00 -2.9688E+00 H2 1035 1.008000 0.423800 -1.3011E+01 7.5627E+00 -2.9162E+00 O6 1036 15.999400 -0.847600 1.0020E+01 7.0918E+00 -1.3904E+01 H1 1037 1.008000 0.423800 9.5187E+00 7.2993E+00 -1.3064E+01 H2 1038 1.008000 0.423800 1.0831E+01 7.6731E+00 -1.3961E+01 O6 1039 15.999400 -0.847600 1.7611E+01 -1.9200E+01 1.8319E+01 H1 1040 1.008000 0.423800 1.7915E+01 -1.8327E+01 1.7937E+01 H2 1041 1.008000 0.423800 1.7913E+01 -1.9271E+01 1.9270E+01 O6 1042 15.999400 -0.847600 -6.3814E+00 -1.0709E+00 -5.0574E+00 H1 1043 1.008000 0.423800 -5.7908E+00 -9.0314E-01 -5.8468E+00 H2 1044 1.008000 0.423800 -6.0121E+00 -5.9684E-01 -4.2581E+00 O6 1045 15.999400 -0.847600 -1.9440E+01 -9.8181E-01 -9.4585E+00 H1 1046 1.008000 0.423800 -1.9114E+01 -1.8293E+00 -9.8781E+00 H2 1047 1.008000 0.423800 -1.8737E+01 -2.7567E-01 -9.5460E+00 O6 1048 15.999400 -0.847600 -3.0964E+00 1.9391E+01 -1.3146E-01 H1 1049 1.008000 0.423800 -2.1689E+00 -1.9474E+01 -4.2412E-01 H2 1050 1.008000 0.423800 -3.7288E+00 1.9519E+01 -8.9557E-01 O6 1051 15.999400 -0.847600 9.4455E+00 -6.1551E-01 -4.6751E+00 H1 1052 1.008000 0.423800 1.0173E+01 -1.6865E-01 -5.1963E+00 H2 1053 1.008000 0.423800 8.9614E+00 6.6226E-02 -4.1266E+00 O6 1054 15.999400 -0.847600 -9.7616E+00 4.3407E+00 1.6148E+01 H1 1055 1.008000 0.423800 -1.0439E+01 5.0577E+00 1.5982E+01 H2 1056 1.008000 0.423800 -9.9349E+00 3.9178E+00 1.7037E+01 O6 1057 15.999400 -0.847600 6.4560E+00 -2.3122E+00 1.7345E+01 H1 1058 1.008000 0.423800 6.9386E+00 -1.9896E+00 1.8159E+01 H2 1059 1.008000 0.423800 6.7874E+00 -3.2234E+00 1.7100E+01 O6 1060 15.999400 -0.847600 -4.3485E-01 7.4480E-01 3.0023E+00 H1 1061 1.008000 0.423800 -1.2880E+00 1.2565E+00 3.1044E+00 H2 1062 1.008000 0.423800 -3.6792E-01 6.0205E-02 3.7281E+00 O6 1063 15.999400 -0.847600 -1.8928E+01 -1.8539E+01 1.7190E+01 H1 1064 1.008000 0.423800 -1.9426E+01 -1.8188E+01 1.7982E+01 H2 1065 1.008000 0.423800 -1.8138E+01 -1.9067E+01 1.7501E+01 O6 1066 15.999400 -0.847600 -5.8399E+00 1.6444E+01 -7.4380E+00 H1 1067 1.008000 0.423800 -6.2604E+00 1.5630E+01 -7.0374E+00 H2 1068 1.008000 0.423800 -4.8520E+00 1.6307E+01 -7.5107E+00 O6 1069 15.999400 -0.847600 -1.0534E+01 1.7528E+01 8.1954E+00 H1 1070 1.008000 0.423800 -1.1476E+01 1.7296E+01 7.9542E+00 H2 1071 1.008000 0.423800 -9.9311E+00 1.7319E+01 7.4253E+00 O6 1072 15.999400 -0.847600 1.4134E+01 1.2138E+01 1.4895E+00 H1 1073 1.008000 0.423800 1.4154E+01 1.1886E+01 5.2190E-01 H2 1074 1.008000 0.423800 1.3964E+01 1.1322E+01 2.0427E+00 O6 1075 15.999400 -0.847600 -7.4638E+00 -2.6261E+00 -1.5587E+01 H1 1076 1.008000 0.423800 -7.8303E+00 -2.9100E+00 -1.6473E+01 H2 1077 1.008000 0.423800 -6.5900E+00 -2.1590E+00 -1.5722E+01 O6 1078 15.999400 -0.847600 1.7329E+01 -1.9013E+01 -1.2592E+01 H1 1079 1.008000 0.423800 1.6464E+01 -1.8549E+01 -1.2403E+01 H2 1080 1.008000 0.423800 1.7695E+01 -1.9394E+01 -1.1743E+01 O6 1081 15.999400 -0.847600 -1.6880E+01 1.1223E+01 7.8624E+00 H1 1082 1.008000 0.423800 -1.6763E+01 1.2088E+01 8.3491E+00 H2 1083 1.008000 0.423800 -1.6107E+01 1.1080E+01 7.2448E+00 O6 1084 15.999400 -0.847600 9.2149E+00 -1.7669E+01 4.3940E+00 H1 1085 1.008000 0.423800 9.9119E+00 -1.7913E+01 3.7196E+00 H2 1086 1.008000 0.423800 8.3881E+00 -1.7362E+01 3.9226E+00 O6 1087 15.999400 -0.847600 4.9861E+00 -9.2382E+00 -1.9191E+01 H1 1088 1.008000 0.423800 5.7775E+00 -8.6752E+00 -1.9430E+01 H2 1089 1.008000 0.423800 4.3666E+00 -9.2907E+00 1.9123E+01 O6 1090 15.999400 -0.847600 -1.5916E+01 8.7295E+00 -1.2228E+01 H1 1091 1.008000 0.423800 -1.5917E+01 8.1657E+00 -1.1403E+01 H2 1092 1.008000 0.423800 -1.6815E+01 8.6817E+00 -1.2665E+01 O6 1093 15.999400 -0.847600 2.6731E+00 1.3384E+01 1.1369E+01 H1 1094 1.008000 0.423800 1.7672E+00 1.3431E+01 1.0948E+01 H2 1095 1.008000 0.423800 3.0687E+00 1.4302E+01 1.1411E+01 O6 1096 15.999400 -0.847600 2.2568E+00 -1.8734E+01 1.7354E+01 H1 1097 1.008000 0.423800 2.7138E+00 1.9524E+01 1.7647E+01 H2 1098 1.008000 0.423800 1.5322E+00 -1.8960E+01 1.6702E+01 O6 1099 15.999400 -0.847600 3.7611E+00 -1.1495E+00 4.4738E+00 H1 1100 1.008000 0.423800 4.2330E+00 -1.7157E+00 5.1496E+00 H2 1101 1.008000 0.423800 3.1627E+00 -4.9990E-01 4.9428E+00 O6 1102 15.999400 -0.847600 -8.9091E-01 1.6727E+00 -1.1439E+01 H1 1103 1.008000 0.423800 1.0186E-01 1.7575E+00 -1.1354E+01 H2 1104 1.008000 0.423800 -1.1893E+00 2.0944E+00 -1.2295E+01 O6 1105 15.999400 -0.847600 -7.3814E-01 3.4224E+00 -8.1831E+00 H1 1106 1.008000 0.423800 -1.5462E+00 3.8414E+00 -7.7689E+00 H2 1107 1.008000 0.423800 -2.0337E-01 4.1240E+00 -8.6541E+00 O6 1108 15.999400 -0.847600 3.5482E+00 1.4521E+01 -1.3453E+01 H1 1109 1.008000 0.423800 3.9920E+00 1.3632E+01 -1.3560E+01 H2 1110 1.008000 0.423800 3.6012E+00 1.5025E+01 -1.4316E+01 O6 1111 15.999400 -0.847600 -6.6070E+00 -8.7697E+00 -3.9401E+00 H1 1112 1.008000 0.423800 -6.8116E+00 -9.7101E+00 -3.6686E+00 H2 1113 1.008000 0.423800 -7.4615E+00 -8.2659E+00 -4.0664E+00 O6 1114 15.999400 -0.847600 7.3943E-01 1.0598E+01 -5.0072E+00 H1 1115 1.008000 0.423800 1.4999E+00 1.0912E+01 -4.4389E+00 H2 1116 1.008000 0.423800 1.4874E-01 9.9957E+00 -4.4703E+00 O6 1117 15.999400 -0.847600 -1.5498E+00 7.2815E+00 -6.4565E+00 H1 1118 1.008000 0.423800 -1.7886E+00 7.6241E+00 -5.5478E+00 H2 1119 1.008000 0.423800 -7.0896E-01 7.7235E+00 -6.7689E+00 O6 1120 15.999400 -0.847600 -7.3713E+00 1.2582E+01 1.4997E+01 H1 1121 1.008000 0.423800 -8.0009E+00 1.2941E+01 1.5686E+01 H2 1122 1.008000 0.423800 -7.0416E+00 1.1683E+01 1.5284E+01 O6 1123 15.999400 -0.847600 1.6109E+01 -6.3785E+00 -1.6580E+01 H1 1124 1.008000 0.423800 1.6061E+01 -6.9193E+00 -1.7420E+01 H2 1125 1.008000 0.423800 1.6729E+01 -5.6056E+00 -1.6716E+01 O6 1126 15.999400 -0.847600 1.6394E+01 1.1536E+01 1.6814E+01 H1 1127 1.008000 0.423800 1.7373E+01 1.1577E+01 1.6615E+01 H2 1128 1.008000 0.423800 1.6249E+01 1.1025E+01 1.7662E+01 O6 1129 15.999400 -0.847600 -1.1844E+01 5.2716E+00 1.6342E+00 H1 1130 1.008000 0.423800 -1.2339E+01 5.8512E+00 2.2813E+00 H2 1131 1.008000 0.423800 -1.0872E+01 5.2617E+00 1.8715E+00 O6 1132 15.999400 -0.847600 2.3866E+00 -1.1533E+01 9.5800E+00 H1 1133 1.008000 0.423800 2.5945E+00 -1.1019E+01 1.0412E+01 H2 1134 1.008000 0.423800 1.8169E+00 -1.0975E+01 8.9769E+00 O6 1135 15.999400 -0.847600 1.3838E+01 7.0903E+00 -1.9164E+01 H1 1136 1.008000 0.423800 1.4319E+01 6.3137E+00 1.9527E+01 H2 1137 1.008000 0.423800 1.3362E+01 6.7917E+00 -1.8337E+01 O6 1138 15.999400 -0.847600 4.8087E+00 -1.5479E+01 1.6503E+01 H1 1139 1.008000 0.423800 4.8180E+00 -1.6289E+01 1.7088E+01 H2 1140 1.008000 0.423800 4.5165E+00 -1.5736E+01 1.5581E+01 O6 1141 15.999400 -0.847600 1.1853E+01 8.2687E+00 -1.6447E+01 H1 1142 1.008000 0.423800 1.2751E+01 8.3368E+00 -1.6013E+01 H2 1143 1.008000 0.423800 1.1244E+01 8.9635E+00 -1.6064E+01 O6 1144 15.999400 -0.847600 -7.9331E-01 -6.7346E+00 -3.5881E+00 H1 1145 1.008000 0.423800 -4.0094E-01 -7.4232E+00 -4.1980E+00 H2 1146 1.008000 0.423800 -1.7484E+00 -6.5742E+00 -3.8372E+00 O6 1147 15.999400 -0.847600 -1.2498E+01 -8.4821E-01 -9.0881E+00 H1 1148 1.008000 0.423800 -1.2020E+01 -1.0648E+00 -8.2371E+00 H2 1149 1.008000 0.423800 -1.1833E+01 -5.9130E-01 -9.7887E+00 O6 1150 15.999400 -0.847600 -6.8587E+00 -1.6056E+01 1.6165E+01 H1 1151 1.008000 0.423800 -6.2453E+00 -1.6820E+01 1.6365E+01 H2 1152 1.008000 0.423800 -7.0788E+00 -1.6053E+01 1.5190E+01 O6 1153 15.999400 -0.847600 -1.9076E+01 -1.1206E+01 4.3049E+00 H1 1154 1.008000 0.423800 -1.9438E+01 -1.0634E+01 3.5692E+00 H2 1155 1.008000 0.423800 -1.8122E+01 -1.0961E+01 4.4797E+00 O6 1156 15.999400 -0.847600 8.9796E+00 1.7657E+01 9.9834E+00 H1 1157 1.008000 0.423800 9.6697E+00 1.7030E+01 9.6224E+00 H2 1158 1.008000 0.423800 9.0965E+00 1.8558E+01 9.5649E+00 O6 1159 15.999400 -0.847600 -6.6238E+00 1.2928E+01 -1.4464E+01 H1 1160 1.008000 0.423800 -7.1828E+00 1.3735E+01 -1.4654E+01 H2 1161 1.008000 0.423800 -6.7999E+00 1.2230E+01 -1.5158E+01 O6 1162 15.999400 -0.847600 -2.6965E+00 -1.7318E+01 -6.8944E+00 H1 1163 1.008000 0.423800 -3.1842E+00 -1.6610E+01 -7.4053E+00 H2 1164 1.008000 0.423800 -2.5466E+00 -1.8111E+01 -7.4845E+00 O6 1165 15.999400 -0.847600 1.7104E+01 -2.1330E+00 -9.8708E+00 H1 1166 1.008000 0.423800 1.7008E+01 -2.7375E+00 -9.0799E+00 H2 1167 1.008000 0.423800 1.8012E+01 -1.7139E+00 -9.8620E+00 O6 1168 15.999400 -0.847600 -1.0705E+01 1.0836E+01 7.9121E+00 H1 1169 1.008000 0.423800 -1.0376E+01 1.0758E+01 8.8530E+00 H2 1170 1.008000 0.423800 -1.1600E+01 1.0395E+01 7.8349E+00 O6 1171 15.999400 -0.847600 1.1375E+01 -1.3913E+01 4.7117E+00 H1 1172 1.008000 0.423800 1.0689E+01 -1.3770E+01 3.9977E+00 H2 1173 1.008000 0.423800 1.2261E+01 -1.3574E+01 4.3952E+00 O6 1174 15.999400 -0.847600 1.7150E+01 9.5809E-03 -1.7459E+01 H1 1175 1.008000 0.423800 1.6208E+01 2.9431E-01 -1.7637E+01 H2 1176 1.008000 0.423800 1.7309E+01 -8.8935E-01 -1.7867E+01 O6 1177 15.999400 -0.847600 1.5261E+01 -4.7688E+00 5.2796E+00 H1 1178 1.008000 0.423800 1.6045E+01 -4.9352E+00 4.6818E+00 H2 1179 1.008000 0.423800 1.4645E+01 -4.1117E+00 4.8456E+00 O6 1180 15.999400 -0.847600 8.5246E-01 8.3553E+00 -6.7889E+00 H1 1181 1.008000 0.423800 1.8110E+00 8.3159E+00 -7.0711E+00 H2 1182 1.008000 0.423800 7.0663E-01 9.1618E+00 -6.2159E+00 O6 1183 15.999400 -0.847600 -1.9068E+01 -8.5389E+00 -8.5663E-01 H1 1184 1.008000 0.423800 1.9137E+01 -8.1487E+00 -1.0844E+00 H2 1185 1.008000 0.423800 -1.8364E+01 -7.8343E+00 -9.4473E-01 O6 1186 15.999400 -0.847600 -2.4066E+00 -6.4031E+00 1.1178E+00 H1 1187 1.008000 0.423800 -1.5754E+00 -6.6841E+00 1.5976E+00 H2 1188 1.008000 0.423800 -2.5281E+00 -6.9690E+00 3.0233E-01 O6 1189 15.999400 -0.847600 8.1917E+00 -5.2434E+00 -7.5953E+00 H1 1190 1.008000 0.423800 8.4825E+00 -4.3321E+00 -7.3039E+00 H2 1191 1.008000 0.423800 8.0872E+00 -5.8321E+00 -6.7938E+00 O6 1192 15.999400 -0.847600 2.1793E+00 1.2243E+01 3.5063E+00 H1 1193 1.008000 0.423800 2.9309E+00 1.2675E+01 4.0049E+00 H2 1194 1.008000 0.423800 2.5328E+00 1.1478E+01 2.9675E+00 O6 1195 15.999400 -0.847600 1.9167E+01 -9.7263E+00 7.1247E+00 H1 1196 1.008000 0.423800 1.9329E+01 -1.0546E+01 6.5755E+00 H2 1197 1.008000 0.423800 1.9470E+01 -9.8891E+00 8.0637E+00 O6 1198 15.999400 -0.847600 4.7137E+00 -1.3695E+01 -1.7439E+01 H1 1199 1.008000 0.423800 4.5049E+00 -1.4669E+01 -1.7352E+01 H2 1200 1.008000 0.423800 5.7042E+00 -1.3570E+01 -1.7497E+01 O6 1201 15.999400 -0.847600 9.6055E+00 -1.7113E+01 -7.2018E+00 H1 1202 1.008000 0.423800 9.8981E+00 -1.7995E+01 -7.5727E+00 H2 1203 1.008000 0.423800 1.0190E+01 -1.6388E+01 -7.5656E+00 O6 1204 15.999400 -0.847600 -1.5758E+01 6.1434E+00 4.0783E+00 H1 1205 1.008000 0.423800 -1.6293E+01 6.5961E+00 4.7916E+00 H2 1206 1.008000 0.423800 -1.6330E+01 6.0068E+00 3.2692E+00 O6 1207 15.999400 -0.847600 -4.6063E+00 7.5338E-03 -2.9738E+00 H1 1208 1.008000 0.423800 -4.7587E+00 9.2249E-01 -2.6001E+00 H2 1209 1.008000 0.423800 -4.1831E+00 -5.7104E-01 -2.2766E+00 O6 1210 15.999400 -0.847600 1.1424E+01 6.7699E+00 1.0998E+01 H1 1211 1.008000 0.423800 1.1956E+01 7.0000E+00 1.0183E+01 H2 1212 1.008000 0.423800 1.0758E+01 7.4939E+00 1.1176E+01 O6 1213 15.999400 -0.847600 1.1977E+01 1.0965E+01 -1.2526E+01 H1 1214 1.008000 0.423800 1.2719E+01 1.0754E+01 -1.1889E+01 H2 1215 1.008000 0.423800 1.1431E+01 1.1720E+01 -1.2162E+01 O6 1216 15.999400 -0.847600 4.4764E+00 5.9697E+00 -1.2591E+01 H1 1217 1.008000 0.423800 5.2747E+00 6.5673E+00 -1.2667E+01 H2 1218 1.008000 0.423800 3.6480E+00 6.4939E+00 -1.2788E+01 O6 1219 15.999400 -0.847600 7.6342E+00 1.5513E+01 -1.2621E+01 H1 1220 1.008000 0.423800 8.1773E+00 1.6350E+01 -1.2689E+01 H2 1221 1.008000 0.423800 6.7176E+00 1.5736E+01 -1.2289E+01 O6 1222 15.999400 -0.847600 1.5680E+01 1.1430E+01 6.8619E+00 H1 1223 1.008000 0.423800 1.6322E+01 1.0797E+01 6.4302E+00 H2 1224 1.008000 0.423800 1.5376E+01 1.2106E+01 6.1903E+00 O6 1225 15.999400 -0.847600 8.5855E+00 7.9409E-01 1.2496E+01 H1 1226 1.008000 0.423800 7.6441E+00 9.2664E-01 1.2186E+01 H2 1227 1.008000 0.423800 9.0706E+00 2.0740E-01 1.1847E+01 O6 1228 15.999400 -0.847600 8.2861E-01 -1.3199E+01 -1.7571E+01 H1 1229 1.008000 0.423800 8.6574E-01 -1.2760E+01 -1.6673E+01 H2 1230 1.008000 0.423800 6.3163E-01 -1.4173E+01 -1.7458E+01 O6 1231 15.999400 -0.847600 6.7712E+00 1.1632E+01 3.3170E+00 H1 1232 1.008000 0.423800 6.1848E+00 1.1238E+01 4.0250E+00 H2 1233 1.008000 0.423800 7.5960E+00 1.2009E+01 3.7388E+00 O6 1234 15.999400 -0.847600 -1.8357E+00 1.9412E+01 -1.4192E+01 H1 1235 1.008000 0.423800 -1.2069E+00 -1.8946E+01 -1.4434E+01 H2 1236 1.008000 0.423800 -1.9676E+00 1.8815E+01 -1.4983E+01 O6 1237 15.999400 -0.847600 -1.8564E+01 1.6986E+01 -1.2074E+01 H1 1238 1.008000 0.423800 -1.8162E+01 1.7891E+01 -1.2211E+01 H2 1239 1.008000 0.423800 -1.7939E+01 1.6288E+01 -1.2424E+01 O6 1240 15.999400 -0.847600 -1.1934E+01 2.3067E+00 5.9595E+00 H1 1241 1.008000 0.423800 -1.2911E+01 2.4541E+00 6.1097E+00 H2 1242 1.008000 0.423800 -1.1766E+01 2.1464E+00 4.9867E+00 O6 1243 15.999400 -0.847600 6.9205E+00 -1.6741E+01 3.2929E+00 H1 1244 1.008000 0.423800 6.1006E+00 -1.6841E+01 3.8565E+00 H2 1245 1.008000 0.423800 6.7924E+00 -1.5985E+01 2.6502E+00 O6 1246 15.999400 -0.847600 1.0637E+01 1.2892E+01 -1.1190E+01 H1 1247 1.008000 0.423800 1.1179E+01 1.3632E+01 -1.1587E+01 H2 1248 1.008000 0.423800 9.6649E+00 1.3075E+01 -1.1336E+01 O6 1249 15.999400 -0.847600 -5.8962E+00 -3.3947E-01 1.0241E+01 H1 1250 1.008000 0.423800 -5.5648E+00 -1.1442E+00 1.0734E+01 H2 1251 1.008000 0.423800 -5.2658E+00 4.2310E-01 1.0386E+01 O6 1252 15.999400 -0.847600 -3.2215E+00 1.4892E+01 1.8037E+01 H1 1253 1.008000 0.423800 -3.3584E+00 1.4207E+01 1.8752E+01 H2 1254 1.008000 0.423800 -4.0555E+00 1.4976E+01 1.7492E+01 O6 1255 15.999400 -0.847600 -4.7238E+00 1.9010E+00 2.2348E+00 H1 1256 1.008000 0.423800 -5.4813E+00 2.1749E+00 1.6422E+00 H2 1257 1.008000 0.423800 -3.9200E+00 1.6977E+00 1.6758E+00 O6 1258 15.999400 -0.847600 -5.1590E+00 -8.9395E+00 3.1872E+00 H1 1259 1.008000 0.423800 -4.4296E+00 -9.3698E+00 2.6553E+00 H2 1260 1.008000 0.423800 -5.8107E+00 -8.5030E+00 2.5670E+00 O6 1261 15.999400 -0.847600 -1.8542E+01 -3.9365E-01 1.5136E+01 H1 1262 1.008000 0.423800 -1.8883E+01 1.1016E-01 1.5930E+01 H2 1263 1.008000 0.423800 -1.9261E+01 -4.5198E-01 1.4444E+01 O6 1264 15.999400 -0.847600 1.5047E+01 6.1638E+00 -1.3642E+01 H1 1265 1.008000 0.423800 1.5722E+01 6.7493E+00 -1.3192E+01 H2 1266 1.008000 0.423800 1.4960E+01 5.3058E+00 -1.3136E+01 O6 1267 15.999400 -0.847600 1.6622E+01 -1.6136E+01 -1.3137E+01 H1 1268 1.008000 0.423800 1.6561E+01 -1.6431E+01 -1.2183E+01 H2 1269 1.008000 0.423800 1.6551E+01 -1.5140E+01 -1.3183E+01 O6 1270 15.999400 -0.847600 -1.4781E+01 1.8227E+01 1.5902E+01 H1 1271 1.008000 0.423800 -1.3831E+01 1.8444E+01 1.6127E+01 H2 1272 1.008000 0.423800 -1.4887E+01 1.8187E+01 1.4908E+01 O6 1273 15.999400 -0.847600 1.7813E+01 1.5156E+01 1.8347E+01 H1 1274 1.008000 0.423800 1.6934E+01 1.4678E+01 1.8333E+01 H2 1275 1.008000 0.423800 1.7784E+01 1.5889E+01 1.9026E+01 O6 1276 15.999400 -0.847600 -1.6119E+01 -9.1474E+00 1.3040E+01 H1 1277 1.008000 0.423800 -1.6986E+01 -8.8582E+00 1.2633E+01 H2 1278 1.008000 0.423800 -1.5602E+01 -8.3421E+00 1.3329E+01 O6 1279 15.999400 -0.847600 -1.3281E+01 6.0737E+00 -5.9942E+00 H1 1280 1.008000 0.423800 -1.3452E+01 6.1584E+00 -5.0125E+00 H2 1281 1.008000 0.423800 -1.2403E+01 6.4964E+00 -6.2177E+00 O6 1282 15.999400 -0.847600 -1.8592E+01 1.7672E+01 -1.7963E+01 H1 1283 1.008000 0.423800 -1.8631E+01 1.7356E+01 -1.7014E+01 H2 1284 1.008000 0.423800 -1.8294E+01 1.6920E+01 -1.8551E+01 O6 1285 15.999400 -0.847600 -6.9464E+00 -1.6494E+01 -1.4517E+01 H1 1286 1.008000 0.423800 -6.6661E+00 -1.5699E+01 -1.3979E+01 H2 1287 1.008000 0.423800 -7.9170E+00 -1.6417E+01 -1.4745E+01 O6 1288 15.999400 -0.847600 -1.8121E+01 -3.3429E+00 -4.5715E+00 H1 1289 1.008000 0.423800 -1.7256E+01 -2.8496E+00 -4.4769E+00 H2 1290 1.008000 0.423800 -1.8789E+01 -2.7590E+00 -5.0328E+00 O6 1291 15.999400 -0.847600 3.9515E+00 -1.5142E+01 -1.2520E+01 H1 1292 1.008000 0.423800 4.9418E+00 -1.5178E+01 -1.2385E+01 H2 1293 1.008000 0.423800 3.5747E+00 -1.4365E+01 -1.2017E+01 O6 1294 15.999400 -0.847600 -3.2231E-01 -1.6357E+01 -1.4324E+01 H1 1295 1.008000 0.423800 -9.7059E-01 -1.5990E+01 -1.4991E+01 H2 1296 1.008000 0.423800 5.8196E-01 -1.5962E+01 -1.4486E+01 O6 1297 15.999400 -0.847600 -2.8098E+00 1.8762E+01 1.0917E+01 H1 1298 1.008000 0.423800 -2.5737E+00 1.8036E+01 1.0271E+01 H2 1299 1.008000 0.423800 -2.0820E+00 1.8854E+01 1.1596E+01 O6 1300 15.999400 -0.847600 -1.8899E+00 1.1690E+01 3.0086E-01 H1 1301 1.008000 0.423800 -9.0520E-01 1.1516E+01 2.9456E-01 H2 1302 1.008000 0.423800 -2.1046E+00 1.2364E+01 1.0074E+00 O6 1303 15.999400 -0.847600 5.3207E+00 -1.0792E+00 1.5179E+01 H1 1304 1.008000 0.423800 5.4814E+00 -1.4780E+00 1.4276E+01 H2 1305 1.008000 0.423800 5.8078E+00 -1.6127E+00 1.5871E+01 O6 1306 15.999400 -0.847600 1.2210E+01 1.8773E+01 -1.6732E+01 H1 1307 1.008000 0.423800 1.1271E+01 1.8466E+01 -1.6891E+01 H2 1308 1.008000 0.423800 1.2532E+01 1.9285E+01 -1.7528E+01 O6 1309 15.999400 -0.847600 4.9737E-01 4.9239E+00 -1.2348E+01 H1 1310 1.008000 0.423800 5.8247E-01 5.0392E+00 -1.1358E+01 H2 1311 1.008000 0.423800 9.4303E-01 5.6893E+00 -1.2812E+01 O6 1312 15.999400 -0.847600 -4.9551E+00 -5.1769E+00 1.2531E+01 H1 1313 1.008000 0.423800 -5.1360E+00 -5.8593E+00 1.1822E+01 H2 1314 1.008000 0.423800 -4.2962E+00 -5.5443E+00 1.3187E+01 O6 1315 15.999400 -0.847600 -1.7426E+01 1.8415E+01 2.1359E+00 H1 1316 1.008000 0.423800 -1.8328E+01 1.8113E+01 1.8270E+00 H2 1317 1.008000 0.423800 -1.7087E+01 1.7790E+01 2.8386E+00 O6 1318 15.999400 -0.847600 -1.6806E+01 1.2952E+01 -2.0268E+00 H1 1319 1.008000 0.423800 -1.5871E+01 1.2623E+01 -1.8905E+00 H2 1320 1.008000 0.423800 -1.6907E+01 1.3853E+01 -1.6055E+00 O6 1321 15.999400 -0.847600 -1.0288E+01 2.6035E+00 -1.7703E+01 H1 1322 1.008000 0.423800 -1.1085E+01 2.1041E+00 -1.7363E+01 H2 1323 1.008000 0.423800 -9.8648E+00 3.1078E+00 -1.6951E+01 O6 1324 15.999400 -0.847600 -8.4294E+00 4.9846E+00 -2.8795E+00 H1 1325 1.008000 0.423800 -9.1485E+00 5.5126E+00 -3.3315E+00 H2 1326 1.008000 0.423800 -7.7895E+00 5.6087E+00 -2.4313E+00 O6 1327 15.999400 -0.847600 -4.0981E+00 -2.5729E+00 1.1571E+01 H1 1328 1.008000 0.423800 -3.9990E+00 -1.9832E+00 1.2373E+01 H2 1329 1.008000 0.423800 -4.1194E+00 -3.5295E+00 1.1862E+01 O6 1330 15.999400 -0.847600 1.4268E+01 -1.3583E+01 1.8717E+01 H1 1331 1.008000 0.423800 1.5010E+01 -1.4039E+01 1.8226E+01 H2 1332 1.008000 0.423800 1.3523E+01 -1.4231E+01 1.8873E+01 O6 1333 15.999400 -0.847600 -8.1565E+00 1.5315E+01 -1.7318E+01 H1 1334 1.008000 0.423800 -7.4661E+00 1.5780E+01 -1.7873E+01 H2 1335 1.008000 0.423800 -8.8757E+00 1.4956E+01 -1.7913E+01 O6 1336 15.999400 -0.847600 -9.3293E+00 1.3554E+01 -1.2340E+01 H1 1337 1.008000 0.423800 -8.5142E+00 1.3906E+01 -1.1880E+01 H2 1338 1.008000 0.423800 -9.1099E+00 1.3345E+01 -1.3293E+01 O6 1339 15.999400 -0.847600 1.1157E+01 -1.8820E+01 9.6844E+00 H1 1340 1.008000 0.423800 1.0462E+01 -1.8855E+01 8.9666E+00 H2 1341 1.008000 0.423800 1.1989E+01 -1.9273E+01 9.3643E+00 O6 1342 15.999400 -0.847600 -6.0470E+00 3.1936E+00 1.7914E+01 H1 1343 1.008000 0.423800 -6.5432E+00 3.0613E+00 1.8772E+01 H2 1344 1.008000 0.423800 -6.0532E+00 4.1637E+00 1.7672E+01 O6 1345 15.999400 -0.847600 8.6262E+00 -1.9253E+01 1.8845E+01 H1 1346 1.008000 0.423800 7.7741E+00 -1.9017E+01 1.9313E+01 H2 1347 1.008000 0.423800 9.2291E+00 1.9357E+01 1.9477E+01 O6 1348 15.999400 -0.847600 1.3240E+01 -3.0872E+00 -1.0404E+01 H1 1349 1.008000 0.423800 1.2526E+01 -2.3915E+00 -1.0331E+01 H2 1350 1.008000 0.423800 1.2966E+01 -3.9017E+00 -9.8933E+00 O6 1351 15.999400 -0.847600 1.2656E+01 4.2332E+00 1.8140E+01 H1 1352 1.008000 0.423800 1.2697E+01 4.5626E+00 1.9084E+01 H2 1353 1.008000 0.423800 1.2958E+01 4.9578E+00 1.7521E+01 O6 1354 15.999400 -0.847600 1.3800E+00 2.1887E+00 1.8871E+01 H1 1355 1.008000 0.423800 1.1748E+00 3.0778E+00 1.9280E+01 H2 1356 1.008000 0.423800 9.2140E-01 1.4685E+00 1.9391E+01 O6 1357 15.999400 -0.847600 1.1549E+01 1.2928E+01 1.1696E+01 H1 1358 1.008000 0.423800 1.1272E+01 1.2007E+01 1.1969E+01 H2 1359 1.008000 0.423800 1.1938E+01 1.3407E+01 1.2483E+01 O6 1360 15.999400 -0.847600 -1.0201E+01 -1.8515E+00 8.5742E-02 H1 1361 1.008000 0.423800 -1.0222E+01 -1.8922E+00 -9.1324E-01 H2 1362 1.008000 0.423800 -1.1067E+01 -2.1930E+00 4.5101E-01 O6 1363 15.999400 -0.847600 -6.4261E-01 5.9774E+00 4.5063E+00 H1 1364 1.008000 0.423800 -2.3544E-01 5.9945E+00 5.4196E+00 H2 1365 1.008000 0.423800 1.7718E-02 5.6054E+00 3.8540E+00 O6 1366 15.999400 -0.847600 3.9009E+00 9.4588E+00 -1.8991E+01 H1 1367 1.008000 0.423800 3.9526E+00 9.2917E+00 1.9122E+01 H2 1368 1.008000 0.423800 3.4305E+00 8.6957E+00 -1.8548E+01 O6 1369 15.999400 -0.847600 -8.4786E+00 1.7575E-01 -1.8096E+00 H1 1370 1.008000 0.423800 -9.3959E+00 5.5476E-01 -1.6879E+00 H2 1371 1.008000 0.423800 -7.8742E+00 8.7929E-01 -2.1835E+00 O6 1372 15.999400 -0.847600 2.9096E+00 -1.7020E+01 1.0187E+01 H1 1373 1.008000 0.423800 3.3788E+00 -1.7895E+01 1.0310E+01 H2 1374 1.008000 0.423800 3.5831E+00 -1.6303E+01 1.0007E+01 O6 1375 15.999400 -0.847600 -1.3617E+01 1.7835E+01 1.1719E+01 H1 1376 1.008000 0.423800 -1.4032E+01 1.8163E+01 1.0870E+01 H2 1377 1.008000 0.423800 -1.4241E+01 1.7198E+01 1.2171E+01 O6 1378 15.999400 -0.847600 1.6350E+01 5.7272E+00 1.5947E+01 H1 1379 1.008000 0.423800 1.5713E+01 5.7318E+00 1.6719E+01 H2 1380 1.008000 0.423800 1.6538E+01 4.7833E+00 1.5676E+01 O6 1381 15.999400 -0.847600 1.5543E+01 4.4020E+00 -8.4357E+00 H1 1382 1.008000 0.423800 1.5199E+01 3.7795E+00 -7.7324E+00 H2 1383 1.008000 0.423800 1.6081E+01 5.1266E+00 -8.0054E+00 O6 1384 15.999400 -0.847600 1.5214E+01 9.2870E-01 1.8408E+01 H1 1385 1.008000 0.423800 1.4844E+01 9.5871E-01 1.9337E+01 H2 1386 1.008000 0.423800 1.4593E+01 1.4053E+00 1.7786E+01 O6 1387 15.999400 -0.847600 -2.3504E-01 1.4845E+01 -3.9351E+00 H1 1388 1.008000 0.423800 3.5964E-01 1.4566E+01 -3.1811E+00 H2 1389 1.008000 0.423800 -1.1895E+00 1.4805E+01 -3.6394E+00 O6 1390 15.999400 -0.847600 -3.3093E+00 -5.2952E+00 8.2814E+00 H1 1391 1.008000 0.423800 -4.2510E+00 -5.3404E+00 8.6150E+00 H2 1392 1.008000 0.423800 -2.8014E+00 -6.0922E+00 8.6081E+00 O6 1393 15.999400 -0.847600 1.6199E+01 1.4570E+01 -1.8283E+00 H1 1394 1.008000 0.423800 1.5583E+01 1.4563E+01 -2.6163E+00 H2 1395 1.008000 0.423800 1.6976E+01 1.5170E+01 -2.0182E+00 O6 1396 15.999400 -0.847600 -1.0733E+01 -1.3150E+01 3.2372E+00 H1 1397 1.008000 0.423800 -1.0557E+01 -1.3841E+01 2.5356E+00 H2 1398 1.008000 0.423800 -1.1144E+01 -1.3586E+01 4.0380E+00 O6 1399 15.999400 -0.847600 2.0923E+00 1.6567E+01 -3.4566E+00 H1 1400 1.008000 0.423800 3.0720E+00 1.6552E+01 -3.2565E+00 H2 1401 1.008000 0.423800 1.8957E+00 1.5935E+01 -4.2058E+00 O6 1402 15.999400 -0.847600 -5.5657E+00 4.8441E+00 -3.5101E+00 H1 1403 1.008000 0.423800 -4.7486E+00 4.3358E+00 -3.7821E+00 H2 1404 1.008000 0.423800 -5.9778E+00 5.2686E+00 -4.3163E+00 O6 1405 15.999400 -0.847600 1.8462E+01 1.2924E+01 -1.2298E+00 H1 1406 1.008000 0.423800 1.7654E+01 1.3489E+01 -1.3986E+00 H2 1407 1.008000 0.423800 1.9107E+01 1.3032E+01 -1.9862E+00 O6 1408 15.999400 -0.847600 -8.2245E+00 -1.3888E+01 5.2639E+00 H1 1409 1.008000 0.423800 -8.3629E+00 -1.4790E+01 4.8568E+00 H2 1410 1.008000 0.423800 -9.0542E+00 -1.3610E+01 5.7479E+00 O6 1411 15.999400 -0.847600 -2.6477E+00 1.3515E+01 2.0117E+00 H1 1412 1.008000 0.423800 -2.3308E+00 1.4341E+01 2.4775E+00 H2 1413 1.008000 0.423800 -3.2290E+00 1.2986E+01 2.6299E+00 O6 1414 15.999400 -0.847600 1.7699E+01 -1.0671E+01 -1.5786E+01 H1 1415 1.008000 0.423800 1.6764E+01 -1.0717E+01 -1.6136E+01 H2 1416 1.008000 0.423800 1.7857E+01 -9.7726E+00 -1.5375E+01 O6 1417 15.999400 -0.847600 1.5981E+01 -9.1902E+00 -2.8411E+00 H1 1418 1.008000 0.423800 1.5286E+01 -8.8202E+00 -3.4574E+00 H2 1419 1.008000 0.423800 1.5615E+01 -9.9922E+00 -2.3691E+00 O6 1420 15.999400 -0.847600 1.5620E+01 1.9452E+01 1.6565E+01 H1 1421 1.008000 0.423800 1.6380E+01 1.9418E+01 1.7214E+01 H2 1422 1.008000 0.423800 1.5957E+01 -1.9342E+01 1.5673E+01 O6 1423 15.999400 -0.847600 6.3923E+00 1.4359E+01 9.6124E-01 H1 1424 1.008000 0.423800 7.1743E+00 1.4790E+01 5.1113E-01 H2 1425 1.008000 0.423800 6.5130E+00 1.3366E+01 9.6015E-01 O6 1426 15.999400 -0.847600 -9.2245E+00 -5.2676E+00 -6.8030E-01 H1 1427 1.008000 0.423800 -9.4606E+00 -4.8567E+00 -1.5609E+00 H2 1428 1.008000 0.423800 -8.4899E+00 -4.7406E+00 -2.5298E-01 O6 1429 15.999400 -0.847600 8.2158E+00 1.6194E+01 -1.8957E+01 H1 1430 1.008000 0.423800 8.1771E+00 1.5217E+01 -1.9163E+01 H2 1431 1.008000 0.423800 7.2885E+00 1.6568E+01 -1.8939E+01 O6 1432 15.999400 -0.847600 -9.1235E+00 5.0274E+00 -1.8637E+01 H1 1433 1.008000 0.423800 -8.8235E+00 5.4512E+00 -1.7782E+01 H2 1434 1.008000 0.423800 -1.0121E+01 5.0595E+00 -1.8692E+01 O6 1435 15.999400 -0.847600 -6.9614E+00 -1.5130E+00 -1.8980E+01 H1 1436 1.008000 0.423800 -7.5157E+00 -2.1246E+00 -1.8415E+01 H2 1437 1.008000 0.423800 -7.4262E+00 -6.3244E-01 -1.9073E+01 O6 1438 15.999400 -0.847600 -1.1800E+01 7.9671E+00 -1.5627E+01 H1 1439 1.008000 0.423800 -1.1102E+01 8.5964E+00 -1.5968E+01 H2 1440 1.008000 0.423800 -1.1918E+01 8.1020E+00 -1.4643E+01 O6 1441 15.999400 -0.847600 -3.2927E+00 8.6504E+00 2.6869E+00 H1 1442 1.008000 0.423800 -2.9517E+00 8.0384E+00 1.9732E+00 H2 1443 1.008000 0.423800 -3.2636E+00 8.1816E+00 3.5697E+00 O6 1444 15.999400 -0.847600 1.1158E+01 5.1391E+00 -3.3855E+00 H1 1445 1.008000 0.423800 1.0795E+01 5.5314E+00 -4.2310E+00 H2 1446 1.008000 0.423800 1.2151E+01 5.2547E+00 -3.3635E+00 O6 1447 15.999400 -0.847600 3.2376E+00 1.8242E+01 1.8664E+01 H1 1448 1.008000 0.423800 3.1786E+00 1.8380E+01 -1.9445E+01 H2 1449 1.008000 0.423800 4.1230E+00 1.7837E+01 1.8436E+01 O6 1450 15.999400 -0.847600 1.8605E+01 -1.3089E+01 -6.3069E+00 H1 1451 1.008000 0.423800 1.9410E+01 -1.3551E+01 -5.9350E+00 H2 1452 1.008000 0.423800 1.7882E+01 -1.3072E+01 -5.6160E+00 O6 1453 15.999400 -0.847600 9.0006E+00 4.7667E+00 -1.4739E+01 H1 1454 1.008000 0.423800 8.1984E+00 4.3749E+00 -1.4289E+01 H2 1455 1.008000 0.423800 9.1960E+00 5.6663E+00 -1.4349E+01 O6 1456 15.999400 -0.847600 1.6387E+01 -3.8929E+00 2.3588E+00 H1 1457 1.008000 0.423800 1.6126E+01 -3.4295E+00 1.5119E+00 H2 1458 1.008000 0.423800 1.7305E+01 -3.6029E+00 2.6280E+00 O6 1459 15.999400 -0.847600 -1.8352E+01 -1.6533E+01 -1.7899E+01 H1 1460 1.008000 0.423800 -1.8877E+01 -1.7039E+01 -1.8583E+01 H2 1461 1.008000 0.423800 -1.7509E+01 -1.7030E+01 -1.7692E+01 O6 1462 15.999400 -0.847600 1.5881E+01 -1.6571E+01 1.2044E+01 H1 1463 1.008000 0.423800 1.4958E+01 -1.6610E+01 1.1661E+01 H2 1464 1.008000 0.423800 1.6485E+01 -1.6090E+01 1.1408E+01 O6 1465 15.999400 -0.847600 -1.7401E+01 5.1562E+00 -4.9244E+00 H1 1466 1.008000 0.423800 -1.7044E+01 6.0187E+00 -5.2834E+00 H2 1467 1.008000 0.423800 -1.8082E+01 5.3458E+00 -4.2179E+00 O6 1468 15.999400 -0.847600 9.3991E+00 2.2528E+00 1.4734E+01 H1 1469 1.008000 0.423800 9.1130E+00 1.6576E+00 1.3983E+01 H2 1470 1.008000 0.423800 9.2218E+00 1.7973E+00 1.5606E+01 O6 1471 15.999400 -0.847600 1.2494E+01 1.3794E+01 1.8648E+01 H1 1472 1.008000 0.423800 1.3337E+01 1.3642E+01 1.8132E+01 H2 1473 1.008000 0.423800 1.2496E+01 1.3219E+01 1.9466E+01 O6 1474 15.999400 -0.847600 -1.7855E+01 -1.4826E+01 1.7944E+01 H1 1475 1.008000 0.423800 -1.8557E+01 -1.4726E+01 1.7239E+01 H2 1476 1.008000 0.423800 -1.8166E+01 -1.4390E+01 1.8788E+01 O6 1477 15.999400 -0.847600 4.4041E+00 1.1198E+00 -1.6842E+01 H1 1478 1.008000 0.423800 3.8569E+00 3.1525E-01 -1.6611E+01 H2 1479 1.008000 0.423800 4.6641E+00 1.0805E+00 -1.7807E+01 O6 1480 15.999400 -0.847600 -6.3056E+00 -1.4085E+01 -1.3324E+01 H1 1481 1.008000 0.423800 -6.9660E+00 -1.3561E+01 -1.2786E+01 H2 1482 1.008000 0.423800 -5.5446E+00 -1.4363E+01 -1.2737E+01 O6 1483 15.999400 -0.847600 -4.8486E-01 7.2199E+00 1.8301E+01 H1 1484 1.008000 0.423800 -1.2045E+00 6.8908E+00 1.7690E+01 H2 1485 1.008000 0.423800 1.7099E-01 7.7662E+00 1.7780E+01 O6 1486 15.999400 -0.847600 1.7389E+01 -1.8064E+01 -7.1308E+00 H1 1487 1.008000 0.423800 1.7777E+01 -1.8117E+01 -6.2108E+00 H2 1488 1.008000 0.423800 1.7425E+01 -1.7118E+01 -7.4533E+00 O6 1489 15.999400 -0.847600 8.9016E+00 -2.3571E+00 -9.0811E+00 H1 1490 1.008000 0.423800 8.7386E+00 -3.2602E+00 -9.4783E+00 H2 1491 1.008000 0.423800 9.7490E+00 -1.9777E+00 -9.4525E+00 O6 1492 15.999400 -0.847600 -1.3077E+01 -2.1489E+00 1.0499E+01 H1 1493 1.008000 0.423800 -1.2715E+01 -1.3158E+00 1.0081E+01 H2 1494 1.008000 0.423800 -1.2508E+01 -2.9281E+00 1.0237E+01 O6 1495 15.999400 -0.847600 -1.4853E+01 -1.6108E+01 1.3991E+01 H1 1496 1.008000 0.423800 -1.5121E+01 -1.5755E+01 1.4887E+01 H2 1497 1.008000 0.423800 -1.5633E+01 -1.6063E+01 1.3368E+01 O6 1498 15.999400 -0.847600 1.3376E+01 -1.9452E+01 -3.3293E+00 H1 1499 1.008000 0.423800 1.4364E+01 1.9501E+01 -3.2806E+00 H2 1500 1.008000 0.423800 1.3158E+01 -1.8528E+01 -3.0160E+00 O6 1501 15.999400 -0.847600 -1.0154E+01 -1.6105E+01 -5.0268E+00 H1 1502 1.008000 0.423800 -9.4719E+00 -1.6364E+01 -4.3428E+00 H2 1503 1.008000 0.423800 -1.0482E+01 -1.5180E+01 -4.8368E+00 O6 1504 15.999400 -0.847600 1.4347E+01 1.6580E+01 -1.5396E-01 H1 1505 1.008000 0.423800 1.3609E+01 1.5929E+01 2.1032E-02 H2 1506 1.008000 0.423800 1.4124E+01 1.7458E+01 2.7142E-01 O6 1507 15.999400 -0.847600 -1.9421E+01 -1.1405E+01 -8.0890E+00 H1 1508 1.008000 0.423800 1.9091E+01 -1.1827E+01 -7.3972E+00 H2 1509 1.008000 0.423800 -1.8466E+01 -1.1643E+01 -7.9069E+00 O6 1510 15.999400 -0.847600 -8.6830E+00 1.1152E+01 -9.9781E-01 H1 1511 1.008000 0.423800 -8.0918E+00 1.1958E+01 -9.6789E-01 H2 1512 1.008000 0.423800 -8.1799E+00 1.0384E+01 -1.3948E+00 O6 1513 15.999400 -0.847600 1.1174E+01 -9.9007E+00 1.0352E+01 H1 1514 1.008000 0.423800 1.0483E+01 -9.3010E+00 1.0755E+01 H2 1515 1.008000 0.423800 1.1988E+01 -9.9089E+00 1.0934E+01 O6 1516 15.999400 -0.847600 -4.4754E+00 -1.2063E+01 -1.8409E+00 H1 1517 1.008000 0.423800 -3.7253E+00 -1.1877E+01 -2.4756E+00 H2 1518 1.008000 0.423800 -4.1162E+00 -1.2125E+01 -9.0973E-01 O6 1519 15.999400 -0.847600 9.2831E+00 1.3989E+00 -1.6065E+01 H1 1520 1.008000 0.423800 8.3132E+00 1.5606E+00 -1.5883E+01 H2 1521 1.008000 0.423800 9.5330E+00 1.8182E+00 -1.6938E+01 O6 1522 15.999400 -0.847600 1.9162E+01 1.3348E+01 -5.7022E+00 H1 1523 1.008000 0.423800 1.9298E+01 1.3027E+01 -4.7648E+00 H2 1524 1.008000 0.423800 1.8436E+01 1.2815E+01 -6.1352E+00 O6 1525 15.999400 -0.847600 -1.5053E+01 -1.1456E+01 1.2141E+01 H1 1526 1.008000 0.423800 -1.4667E+01 -1.1950E+01 1.2920E+01 H2 1527 1.008000 0.423800 -1.5508E+01 -1.0627E+01 1.2464E+01 O6 1528 15.999400 -0.847600 7.5768E+00 -1.7418E+01 1.2891E+01 H1 1529 1.008000 0.423800 8.3300E+00 -1.7802E+01 1.2357E+01 H2 1530 1.008000 0.423800 7.8664E+00 -1.7304E+01 1.3841E+01 O6 1531 15.999400 -0.847600 -7.7227E+00 8.6817E+00 -5.1549E+00 H1 1532 1.008000 0.423800 -7.0273E+00 8.9734E+00 -5.8116E+00 H2 1533 1.008000 0.423800 -8.6099E+00 9.0602E+00 -5.4187E+00 O6 1534 15.999400 -0.847600 1.8839E+01 1.9102E+01 -8.4682E+00 H1 1535 1.008000 0.423800 1.8323E+01 1.8326E+01 -8.8302E+00 H2 1536 1.008000 0.423800 1.8204E+01 -1.9298E+01 -8.1363E+00 O6 1537 15.999400 -0.847600 1.4471E+01 -1.9005E+01 3.4106E+00 H1 1538 1.008000 0.423800 1.3655E+01 -1.8530E+01 3.7410E+00 H2 1539 1.008000 0.423800 1.5282E+01 -1.8458E+01 3.6167E+00 O6 1540 15.999400 -0.847600 4.1723E+00 -1.9534E+01 9.7523E+00 H1 1541 1.008000 0.423800 3.4692E+00 1.8964E+01 9.3696E+00 H2 1542 1.008000 0.423800 4.8809E+00 1.9010E+01 1.0189E+01 O6 1543 15.999400 -0.847600 1.2253E+01 1.2586E+01 -1.8093E+01 H1 1544 1.008000 0.423800 1.2895E+01 1.1819E+01 -1.8083E+01 H2 1545 1.008000 0.423800 1.1333E+01 1.2252E+01 -1.7888E+01 O6 1546 15.999400 -0.847600 7.5509E+00 8.4311E+00 1.2908E+00 H1 1547 1.008000 0.423800 8.3107E+00 9.0806E+00 1.2606E+00 H2 1548 1.008000 0.423800 7.8978E+00 7.5053E+00 1.1405E+00 O6 1549 15.999400 -0.847600 -1.4811E+01 1.0913E+01 6.2510E+00 H1 1550 1.008000 0.423800 -1.5336E+01 1.0828E+01 5.4041E+00 H2 1551 1.008000 0.423800 -1.4187E+01 1.1692E+01 6.1794E+00 O6 1552 15.999400 -0.847600 -1.7707E+01 8.0192E+00 -1.4099E+01 H1 1553 1.008000 0.423800 -1.7239E+01 8.0931E+00 -1.4980E+01 H2 1554 1.008000 0.423800 -1.8254E+01 7.1822E+00 -1.4081E+01 O6 1555 15.999400 -0.847600 1.0913E+01 1.3159E+01 2.6068E+00 H1 1556 1.008000 0.423800 1.1339E+01 1.4037E+01 2.8258E+00 H2 1557 1.008000 0.423800 1.0164E+01 1.2983E+01 3.2457E+00 O6 1558 15.999400 -0.847600 7.7833E+00 -1.5202E+01 7.4259E+00 H1 1559 1.008000 0.423800 7.0617E+00 -1.5845E+01 7.6840E+00 H2 1560 1.008000 0.423800 8.6743E+00 -1.5588E+01 7.6649E+00 O6 1561 15.999400 -0.847600 -1.8208E+01 -3.3722E+00 3.7435E-01 H1 1562 1.008000 0.423800 -1.8471E+01 -3.0465E+00 1.2826E+00 H2 1563 1.008000 0.423800 -1.8142E+01 -4.3699E+00 3.8422E-01 O6 1564 15.999400 -0.847600 -8.8667E+00 3.4067E+00 -1.5161E+01 H1 1565 1.008000 0.423800 -8.7509E+00 3.4069E+00 -1.4167E+01 H2 1566 1.008000 0.423800 -9.0270E+00 2.4718E+00 -1.5477E+01 O6 1567 15.999400 -0.847600 -1.0878E-02 1.7923E+01 -1.8644E+01 H1 1568 1.008000 0.423800 3.9536E-01 1.7150E+01 -1.9131E+01 H2 1569 1.008000 0.423800 -6.1043E-01 1.8429E+01 -1.9265E+01 O6 1570 15.999400 -0.847600 -1.1150E+01 -1.1354E+00 1.7365E+01 H1 1571 1.008000 0.423800 -1.1699E+01 -9.4665E-01 1.8179E+01 H2 1572 1.008000 0.423800 -1.1194E+01 -2.1115E+00 1.7152E+01 O6 1573 15.999400 -0.847600 -3.9371E+00 -4.1428E+00 -1.0529E+01 H1 1574 1.008000 0.423800 -4.8225E+00 -3.6780E+00 -1.0526E+01 H2 1575 1.008000 0.423800 -3.6456E+00 -4.3099E+00 -9.5868E+00 O6 1576 15.999400 -0.847600 1.6069E+01 -9.5324E+00 1.6244E+01 H1 1577 1.008000 0.423800 1.5584E+01 -1.0170E+01 1.6843E+01 H2 1578 1.008000 0.423800 1.5990E+01 -8.6054E+00 1.6611E+01 O6 1579 15.999400 -0.847600 -1.2701E+01 -1.1578E+01 -8.5921E+00 H1 1580 1.008000 0.423800 -1.2678E+01 -1.1540E+01 -7.5931E+00 H2 1581 1.008000 0.423800 -1.2915E+01 -1.0671E+01 -8.9554E+00 O6 1582 15.999400 -0.847600 -7.2438E+00 -4.3447E+00 1.1327E+01 H1 1583 1.008000 0.423800 -7.6386E+00 -3.4910E+00 1.1667E+01 H2 1584 1.008000 0.423800 -6.4811E+00 -4.6159E+00 1.1915E+01 O6 1585 15.999400 -0.847600 1.1693E+01 -2.4300E-01 1.6886E+01 H1 1586 1.008000 0.423800 1.2356E+01 4.9758E-01 1.6999E+01 H2 1587 1.008000 0.423800 1.1553E+01 -4.1941E-01 1.5912E+01 O6 1588 15.999400 -0.847600 1.3757E+01 1.1061E+01 1.0616E+01 H1 1589 1.008000 0.423800 1.3406E+01 1.1928E+01 1.0969E+01 H2 1590 1.008000 0.423800 1.4013E+01 1.0469E+01 1.1381E+01 O6 1591 15.999400 -0.847600 -1.6789E+01 -1.1717E+01 -8.6393E+00 H1 1592 1.008000 0.423800 -1.6677E+01 -1.2702E+01 -8.5067E+00 H2 1593 1.008000 0.423800 -1.6881E+01 -1.1520E+01 -9.6154E+00 O6 1594 15.999400 -0.847600 2.5835E+00 3.5141E+00 1.2147E+01 H1 1595 1.008000 0.423800 1.8160E+00 3.7564E+00 1.2741E+01 H2 1596 1.008000 0.423800 3.1383E+00 2.8100E+00 1.2591E+01 O6 1597 15.999400 -0.847600 -1.3939E+01 2.0296E+00 1.1965E+01 H1 1598 1.008000 0.423800 -1.3280E+01 1.4177E+00 1.2402E+01 H2 1599 1.008000 0.423800 -1.3658E+01 2.2029E+00 1.1021E+01 O6 1600 15.999400 -0.847600 1.8536E+01 -1.1793E+01 1.5894E+01 H1 1601 1.008000 0.423800 1.7876E+01 -1.1046E+01 1.5980E+01 H2 1602 1.008000 0.423800 1.9182E+01 -1.1584E+01 1.5160E+01 O6 1603 15.999400 -0.847600 -1.9401E+01 -1.6318E+00 -1.3938E+01 H1 1604 1.008000 0.423800 -1.8895E+01 -1.3515E+00 -1.3123E+01 H2 1605 1.008000 0.423800 1.8950E+01 -9.8740E-01 -1.4104E+01 O6 1606 15.999400 -0.847600 -7.2886E+00 1.6094E+01 1.2205E+01 H1 1607 1.008000 0.423800 -8.1235E+00 1.6629E+01 1.2336E+01 H2 1608 1.008000 0.423800 -6.5510E+00 1.6697E+01 1.1901E+01 O6 1609 15.999400 -0.847600 1.7925E+01 3.5547E+00 -8.3118E-01 H1 1610 1.008000 0.423800 1.7651E+01 4.5134E+00 -7.5441E-01 H2 1611 1.008000 0.423800 1.7722E+01 3.2228E+00 -1.7524E+00 O6 1612 15.999400 -0.847600 -2.7984E+00 -1.0078E+01 -1.7395E+01 H1 1613 1.008000 0.423800 -2.9743E+00 -1.1028E+01 -1.7140E+01 H2 1614 1.008000 0.423800 -3.5092E+00 -9.4912E+00 -1.7007E+01 O6 1615 15.999400 -0.847600 -3.6259E-01 -1.6993E+01 1.6127E+01 H1 1616 1.008000 0.423800 -1.2871E+00 -1.6615E+01 1.6079E+01 H2 1617 1.008000 0.423800 3.0016E-01 -1.6247E+01 1.6189E+01 O6 1618 15.999400 -0.847600 9.3730E+00 1.2605E+01 -1.7160E-02 H1 1619 1.008000 0.423800 9.0833E+00 1.3302E+01 -6.7272E-01 H2 1620 1.008000 0.423800 1.0095E+01 1.2976E+01 5.6661E-01 O6 1621 15.999400 -0.847600 1.7711E+01 -1.5436E+01 -7.6942E+00 H1 1622 1.008000 0.423800 1.7964E+01 -1.5228E+01 -8.6391E+00 H2 1623 1.008000 0.423800 1.8144E+01 -1.4776E+01 -7.0805E+00 O6 1624 15.999400 -0.847600 -1.5845E+01 7.5069E+00 1.9065E+01 H1 1625 1.008000 0.423800 -1.6453E+01 6.9144E+00 1.8536E+01 H2 1626 1.008000 0.423800 -1.5061E+01 6.9770E+00 1.9387E+01 O6 1627 15.999400 -0.847600 9.1744E+00 8.8324E+00 1.5569E+01 H1 1628 1.008000 0.423800 9.1134E+00 8.2317E+00 1.4772E+01 H2 1629 1.008000 0.423800 8.2707E+00 8.9238E+00 1.5987E+01 O6 1630 15.999400 -0.847600 -2.1734E+00 -8.4208E+00 -1.3305E+01 H1 1631 1.008000 0.423800 -3.1177E+00 -8.7365E+00 -1.3212E+01 H2 1632 1.008000 0.423800 -1.5872E+00 -8.9342E+00 -1.2678E+01 O6 1633 15.999400 -0.847600 -2.9025E+00 6.0606E+00 -1.6138E+01 H1 1634 1.008000 0.423800 -3.0500E+00 5.3385E+00 -1.5463E+01 H2 1635 1.008000 0.423800 -3.7808E+00 6.3357E+00 -1.6529E+01 O6 1636 15.999400 -0.847600 -1.0760E+01 -5.0223E+00 -1.7913E+01 H1 1637 1.008000 0.423800 -1.0548E+01 -5.0925E+00 -1.8888E+01 H2 1638 1.008000 0.423800 -1.1037E+01 -5.9184E+00 -1.7567E+01 O6 1639 15.999400 -0.847600 2.6743E+00 8.2879E+00 3.3442E+00 H1 1640 1.008000 0.423800 3.6696E+00 8.2436E+00 3.4310E+00 H2 1641 1.008000 0.423800 2.3718E+00 7.6415E+00 2.6437E+00 O6 1642 15.999400 -0.847600 -1.4398E+01 5.4033E+00 1.6470E+01 H1 1643 1.008000 0.423800 -1.3778E+01 4.9057E+00 1.7076E+01 H2 1644 1.008000 0.423800 -1.4742E+01 4.7840E+00 1.5764E+01 O6 1645 15.999400 -0.847600 1.1184E+01 -6.4589E+00 -1.0480E+01 H1 1646 1.008000 0.423800 1.1616E+01 -5.8886E+00 -9.7810E+00 H2 1647 1.008000 0.423800 1.1366E+01 -7.4223E+00 -1.0283E+01 O6 1648 15.999400 -0.847600 -9.4997E+00 -1.0799E+01 -1.6738E+01 H1 1649 1.008000 0.423800 -1.0369E+01 -1.1250E+01 -1.6939E+01 H2 1650 1.008000 0.423800 -9.3117E+00 -1.0110E+01 -1.7438E+01 O6 1651 15.999400 -0.847600 3.3285E+00 4.8274E+00 -1.9501E+01 H1 1652 1.008000 0.423800 2.4108E+00 4.6585E+00 -1.9141E+01 H2 1653 1.008000 0.423800 3.6443E+00 5.7270E+00 -1.9199E+01 O6 1654 15.999400 -0.847600 -9.8578E+00 -5.1714E+00 1.4678E+01 H1 1655 1.008000 0.423800 -1.0140E+01 -6.0248E+00 1.4240E+01 H2 1656 1.008000 0.423800 -9.1064E+00 -5.3550E+00 1.5312E+01 O6 1657 15.999400 -0.847600 -9.0566E+00 -4.2186E-01 -6.0788E+00 H1 1658 1.008000 0.423800 -8.0884E+00 -6.1451E-01 -5.9191E+00 H2 1659 1.008000 0.423800 -9.2312E+00 5.5190E-01 -5.9328E+00 O6 1660 15.999400 -0.847600 -1.2912E+01 -1.1232E+01 7.6690E+00 H1 1661 1.008000 0.423800 -1.1984E+01 -1.0871E+01 7.7520E+00 H2 1662 1.008000 0.423800 -1.3339E+01 -1.0868E+01 6.8410E+00 O6 1663 15.999400 -0.847600 -7.4128E+00 1.0525E+01 -1.2555E+01 H1 1664 1.008000 0.423800 -6.9941E+00 1.1293E+01 -1.3040E+01 H2 1665 1.008000 0.423800 -8.3874E+00 1.0483E+01 -1.2775E+01 O6 1666 15.999400 -0.847600 1.3998E+01 1.0661E+01 1.5513E+01 H1 1667 1.008000 0.423800 1.3629E+01 9.8770E+00 1.6012E+01 H2 1668 1.008000 0.423800 1.4610E+01 1.1179E+01 1.6111E+01 O6 1669 15.999400 -0.847600 -6.3956E+00 1.5723E+01 5.2455E+00 H1 1670 1.008000 0.423800 -6.3849E+00 1.5407E+01 4.2967E+00 H2 1671 1.008000 0.423800 -7.2786E+00 1.6147E+01 5.4453E+00 O6 1672 15.999400 -0.847600 9.2873E+00 -1.2278E+00 1.0201E+01 H1 1673 1.008000 0.423800 9.3075E+00 -7.6548E-01 9.3146E+00 H2 1674 1.008000 0.423800 1.0223E+01 -1.4007E+00 1.0508E+01 O6 1675 15.999400 -0.847600 1.7783E+01 3.8043E+00 1.8032E+01 H1 1676 1.008000 0.423800 1.8755E+01 3.9693E+00 1.7863E+01 H2 1677 1.008000 0.423800 1.7659E+01 3.4741E+00 1.8968E+01 O6 1678 15.999400 -0.847600 6.5037E+00 1.4375E+01 -1.7305E+01 H1 1679 1.008000 0.423800 7.0584E+00 1.4600E+01 -1.6504E+01 H2 1680 1.008000 0.423800 7.1026E+00 1.4196E+01 -1.8086E+01 O6 1681 15.999400 -0.847600 3.0417E+00 -8.7387E+00 -1.1482E+01 H1 1682 1.008000 0.423800 3.3958E+00 -9.3657E+00 -1.2176E+01 H2 1683 1.008000 0.423800 3.0625E+00 -9.1854E+00 -1.0588E+01 O6 1684 15.999400 -0.847600 -1.8229E+01 2.3075E+00 -1.4277E+01 H1 1685 1.008000 0.423800 -1.7482E+01 2.9352E+00 -1.4060E+01 H2 1686 1.008000 0.423800 -1.7867E+01 1.3819E+00 -1.4385E+01 O6 1687 15.999400 -0.847600 8.0197E+00 1.4340E+01 1.2974E+01 H1 1688 1.008000 0.423800 8.4186E+00 1.5254E+01 1.2891E+01 H2 1689 1.008000 0.423800 7.0670E+00 1.4364E+01 1.2671E+01 O6 1690 15.999400 -0.847600 -9.5024E+00 -1.8069E+01 1.8749E+01 H1 1691 1.008000 0.423800 -9.5413E+00 -1.9037E+01 1.8998E+01 H2 1692 1.008000 0.423800 -1.0211E+01 -1.7569E+01 1.9245E+01 O6 1693 15.999400 -0.847600 1.4131E+01 -1.9465E+01 5.4282E-01 H1 1694 1.008000 0.423800 1.4522E+01 -1.9165E+01 1.4128E+00 H2 1695 1.008000 0.423800 1.4802E+01 -1.9334E+01 -1.8701E-01 O6 1696 15.999400 -0.847600 -1.7395E+01 1.9215E+01 -9.0932E+00 H1 1697 1.008000 0.423800 -1.8386E+01 1.9266E+01 -8.9718E+00 H2 1698 1.008000 0.423800 -1.6950E+01 -1.9230E+01 -8.4805E+00 O6 1699 15.999400 -0.847600 1.7890E+01 1.7066E+01 -1.8964E+01 H1 1700 1.008000 0.423800 1.6976E+01 1.6958E+01 -1.8573E+01 H2 1701 1.008000 0.423800 1.8441E+01 1.7651E+01 -1.8368E+01 O6 1702 15.999400 -0.847600 7.6953E+00 1.0839E+01 -1.4018E+01 H1 1703 1.008000 0.423800 7.1612E+00 1.0462E+01 -1.3261E+01 H2 1704 1.008000 0.423800 7.0777E+00 1.1136E+01 -1.4746E+01 O6 1705 15.999400 -0.847600 1.5812E+01 -8.3885E+00 -1.8769E+01 H1 1706 1.008000 0.423800 1.5398E+01 -7.9995E+00 1.9506E+01 H2 1707 1.008000 0.423800 1.6620E+01 -8.9210E+00 -1.9022E+01 O6 1708 15.999400 -0.847600 -1.7829E+01 3.5021E+00 1.3121E+01 H1 1709 1.008000 0.423800 -1.7294E+01 2.7737E+00 1.2693E+01 H2 1710 1.008000 0.423800 -1.8243E+01 4.0729E+00 1.2412E+01 O6 1711 15.999400 -0.847600 -1.2408E+01 -1.8892E+01 3.8043E+00 H1 1712 1.008000 0.423800 -1.2880E+01 -1.8418E+01 3.0608E+00 H2 1713 1.008000 0.423800 -1.1809E+01 1.9502E+01 3.4233E+00 O6 1714 15.999400 -0.847600 -1.6172E+01 -1.5894E+01 -1.0942E+01 H1 1715 1.008000 0.423800 -1.5507E+01 -1.5348E+01 -1.0431E+01 H2 1716 1.008000 0.423800 -1.7059E+01 -1.5432E+01 -1.0933E+01 O6 1717 15.999400 -0.847600 1.1180E+01 -7.9252E+00 -1.7171E+01 H1 1718 1.008000 0.423800 1.1963E+01 -8.1640E+00 -1.6596E+01 H2 1719 1.008000 0.423800 1.1498E+01 -7.4280E+00 -1.7978E+01 O6 1720 15.999400 -0.847600 -7.9180E+00 1.6900E+01 9.2744E+00 H1 1721 1.008000 0.423800 -7.8199E+00 1.6724E+01 1.0254E+01 H2 1722 1.008000 0.423800 -8.8672E+00 1.7142E+01 9.0727E+00 O6 1723 15.999400 -0.847600 1.4487E+01 1.7716E+01 1.8275E+01 H1 1724 1.008000 0.423800 1.4713E+01 1.8499E+01 1.7695E+01 H2 1725 1.008000 0.423800 1.4511E+01 1.6878E+01 1.7729E+01 O6 1726 15.999400 -0.847600 3.2617E+00 -3.2731E+00 2.8714E+00 H1 1727 1.008000 0.423800 3.4416E+00 -2.6176E+00 3.6049E+00 H2 1728 1.008000 0.423800 2.3599E+00 -3.6839E+00 3.0054E+00 O6 1729 15.999400 -0.847600 1.1834E+01 1.7284E+01 1.2720E+01 H1 1730 1.008000 0.423800 1.2108E+01 1.8178E+01 1.2365E+01 H2 1731 1.008000 0.423800 1.0875E+01 1.7114E+01 1.2489E+01 O6 1732 15.999400 -0.847600 2.7745E+00 2.9601E+00 4.4470E+00 H1 1733 1.008000 0.423800 2.5559E+00 3.7369E+00 5.0377E+00 H2 1734 1.008000 0.423800 2.5544E+00 2.1080E+00 4.9218E+00 O6 1735 15.999400 -0.847600 -1.3494E+01 -1.8719E+01 1.0755E+00 H1 1736 1.008000 0.423800 -1.3439E+01 1.9382E+01 1.0294E+00 H2 1737 1.008000 0.423800 -1.4450E+01 -1.8434E+01 1.0129E+00 O6 1738 15.999400 -0.847600 -6.6221E+00 -1.8093E+01 -1.2344E+01 H1 1739 1.008000 0.423800 -5.7598E+00 -1.8599E+01 -1.2332E+01 H2 1740 1.008000 0.423800 -6.5569E+00 -1.7340E+01 -1.2999E+01 O6 1741 15.999400 -0.847600 6.5123E+00 -7.7588E+00 -9.4908E+00 H1 1742 1.008000 0.423800 7.1668E+00 -7.2712E+00 -8.9130E+00 H2 1743 1.008000 0.423800 7.0048E+00 -8.2611E+00 -1.0201E+01 O6 1744 15.999400 -0.847600 -1.8282E+01 -1.8786E+01 1.4511E+01 H1 1745 1.008000 0.423800 -1.8163E+01 1.9325E+01 1.4623E+01 H2 1746 1.008000 0.423800 -1.8534E+01 -1.8379E+01 1.5390E+01 O6 1747 15.999400 -0.847600 1.4443E+01 1.0381E+00 -1.7993E+01 H1 1748 1.008000 0.423800 1.4728E+01 1.9957E+00 -1.7950E+01 H2 1749 1.008000 0.423800 1.4364E+01 6.7215E-01 -1.7066E+01 O6 1750 15.999400 -0.847600 2.5922E+00 -5.1802E+00 1.8235E+01 H1 1751 1.008000 0.423800 3.2950E+00 -5.2963E+00 1.8937E+01 H2 1752 1.008000 0.423800 2.8903E+00 -5.6216E+00 1.7389E+01 O6 1753 15.999400 -0.847600 -1.2463E+01 -2.9399E+00 -1.7926E+01 H1 1754 1.008000 0.423800 -1.1877E+01 -2.1612E+00 -1.7702E+01 H2 1755 1.008000 0.423800 -1.1957E+01 -3.7902E+00 -1.7783E+01 O6 1756 15.999400 -0.847600 -3.1561E+00 2.7976E+00 -1.7852E+01 H1 1757 1.008000 0.423800 -3.2449E+00 3.6365E+00 -1.8389E+01 H2 1758 1.008000 0.423800 -2.9862E+00 2.0260E+00 -1.8465E+01 O6 1759 15.999400 -0.847600 -9.4868E+00 1.5458E+01 -6.1746E+00 H1 1760 1.008000 0.423800 -9.9880E+00 1.5166E+01 -6.9892E+00 H2 1761 1.008000 0.423800 -8.6835E+00 1.4875E+01 -6.0509E+00 O6 1762 15.999400 -0.847600 -1.5363E+01 -9.3447E-01 1.8113E+01 H1 1763 1.008000 0.423800 -1.5771E+01 -7.8550E-01 1.7212E+01 H2 1764 1.008000 0.423800 -1.5144E+01 -1.9039E+00 1.8224E+01 O6 1765 15.999400 -0.847600 2.7397E-01 4.3938E+00 1.3603E+01 H1 1766 1.008000 0.423800 2.9412E-01 5.3859E+00 1.3727E+01 H2 1767 1.008000 0.423800 2.9116E-01 3.9459E+00 1.4497E+01 O6 1768 15.999400 -0.847600 2.3292E+00 1.9057E+01 -1.7629E+01 H1 1769 1.008000 0.423800 1.5220E+00 1.8649E+01 -1.8055E+01 H2 1770 1.008000 0.423800 2.2479E+00 1.8995E+01 -1.6634E+01 O6 1771 15.999400 -0.847600 -3.1334E+00 1.9389E+00 1.3238E+01 H1 1772 1.008000 0.423800 -3.4767E+00 1.8090E+00 1.2308E+01 H2 1773 1.008000 0.423800 -3.0339E+00 1.0493E+00 1.3684E+01 O6 1774 15.999400 -0.847600 2.1445E+00 3.9227E+00 9.4929E+00 H1 1775 1.008000 0.423800 2.3730E+00 3.5607E+00 1.0397E+01 H2 1776 1.008000 0.423800 1.3310E+00 4.5002E+00 9.5612E+00 O6 1777 15.999400 -0.847600 -1.4984E+01 -3.6853E+00 -7.1162E+00 H1 1778 1.008000 0.423800 -1.4629E+01 -3.5499E+00 -6.1912E+00 H2 1779 1.008000 0.423800 -1.5736E+01 -3.0464E+00 -7.2816E+00 O6 1780 15.999400 -0.847600 -6.9493E+00 5.5524E+00 -8.6343E+00 H1 1781 1.008000 0.423800 -6.0873E+00 5.0506E+00 -8.7072E+00 H2 1782 1.008000 0.423800 -6.8971E+00 6.3861E+00 -9.1840E+00 O6 1783 15.999400 -0.847600 -7.6810E+00 1.7500E+01 1.8057E+01 H1 1784 1.008000 0.423800 -7.6423E+00 1.8401E+01 1.7626E+01 H2 1785 1.008000 0.423800 -7.5587E+00 1.6792E+01 1.7361E+01 O6 1786 15.999400 -0.847600 -1.0817E+01 -1.3684E+01 -4.4778E+00 H1 1787 1.008000 0.423800 -1.0356E+01 -1.2830E+01 -4.2364E+00 H2 1788 1.008000 0.423800 -1.1578E+01 -1.3489E+01 -5.0958E+00 O6 1789 15.999400 -0.847600 7.3884E+00 -1.4549E+01 1.6293E+01 H1 1790 1.008000 0.423800 7.9443E+00 -1.5275E+01 1.5887E+01 H2 1791 1.008000 0.423800 6.5265E+00 -1.4935E+01 1.6623E+01 O6 1792 15.999400 -0.847600 -6.9459E+00 1.4347E+01 -6.3749E+00 H1 1793 1.008000 0.423800 -6.6806E+00 1.3914E+01 -7.2361E+00 H2 1794 1.008000 0.423800 -6.8594E+00 1.3687E+01 -5.6289E+00 O6 1795 15.999400 -0.847600 1.8781E+01 3.5684E-01 -3.0991E+00 H1 1796 1.008000 0.423800 1.8673E+01 7.9518E-01 -3.9914E+00 H2 1797 1.008000 0.423800 1.8291E+01 -5.1503E-01 -3.0944E+00 O6 1798 15.999400 -0.847600 6.5947E-01 -5.0681E+00 5.9087E+00 H1 1799 1.008000 0.423800 1.1207E+00 -4.8730E+00 5.0431E+00 H2 1800 1.008000 0.423800 4.0192E-01 -4.2086E+00 6.3502E+00 O6 1801 15.999400 -0.847600 -3.1146E+00 1.7019E+01 -1.0872E+01 H1 1802 1.008000 0.423800 -3.4422E+00 1.6240E+01 -1.0336E+01 H2 1803 1.008000 0.423800 -3.3960E+00 1.7870E+01 -1.0428E+01 O6 1804 15.999400 -0.847600 -1.3606E+01 1.0454E+01 -1.5374E+01 H1 1805 1.008000 0.423800 -1.4351E+01 1.1079E+01 -1.5608E+01 H2 1806 1.008000 0.423800 -1.3293E+01 9.9850E+00 -1.6200E+01 O6 1807 15.999400 -0.847600 -4.2957E+00 -4.2564E+00 1.6501E+00 H1 1808 1.008000 0.423800 -3.5688E+00 -4.9299E+00 1.5157E+00 H2 1809 1.008000 0.423800 -4.9138E+00 -4.2718E+00 8.6422E-01 O6 1810 15.999400 -0.847600 9.6443E+00 1.3086E+01 9.4863E+00 H1 1811 1.008000 0.423800 1.0259E+01 1.3131E+01 1.0273E+01 H2 1812 1.008000 0.423800 8.7621E+00 1.3489E+01 9.7292E+00 O6 1813 15.999400 -0.847600 1.7050E+01 -2.0247E+00 9.6984E+00 H1 1814 1.008000 0.423800 1.6585E+01 -2.8435E+00 9.3622E+00 H2 1815 1.008000 0.423800 1.6385E+01 -1.2859E+00 9.8104E+00 O6 1816 15.999400 -0.847600 2.9457E-01 5.5214E+00 -4.0805E+00 H1 1817 1.008000 0.423800 1.1899E+00 5.8987E+00 -3.8438E+00 H2 1818 1.008000 0.423800 -1.9665E-02 5.9235E+00 -4.9405E+00 O6 1819 15.999400 -0.847600 1.7193E+01 5.9886E+00 1.0493E+01 H1 1820 1.008000 0.423800 1.6625E+01 6.8044E+00 1.0385E+01 H2 1821 1.008000 0.423800 1.6976E+01 5.5443E+00 1.1362E+01 O6 1822 15.999400 -0.847600 1.6752E+01 6.2933E+00 -6.2980E+00 H1 1823 1.008000 0.423800 1.6703E+01 7.2429E+00 -6.6079E+00 H2 1824 1.008000 0.423800 1.6938E+01 6.2725E+00 -5.3157E+00 O6 1825 15.999400 -0.847600 1.2563E+01 1.0083E+01 -1.2833E+00 H1 1826 1.008000 0.423800 1.2929E+01 1.1013E+01 -1.3335E+00 H2 1827 1.008000 0.423800 1.1909E+01 9.9423E+00 -2.0263E+00 O6 1828 15.999400 -0.847600 -6.9682E-01 -9.7946E+00 -2.5147E+00 H1 1829 1.008000 0.423800 -4.4664E-02 -9.1337E+00 -2.1431E+00 H2 1830 1.008000 0.423800 -7.8427E-01 -9.6578E+00 -3.5014E+00 O6 1831 15.999400 -0.847600 -1.8667E+01 1.0585E+01 -1.3384E+01 H1 1832 1.008000 0.423800 -1.8357E+01 9.7242E+00 -1.3786E+01 H2 1833 1.008000 0.423800 -1.8792E+01 1.0467E+01 -1.2399E+01 O6 1834 15.999400 -0.847600 4.8738E+00 1.1966E+01 1.0956E+01 H1 1835 1.008000 0.423800 4.1585E+00 1.2646E+01 1.1118E+01 H2 1836 1.008000 0.423800 5.1453E+00 1.1554E+01 1.1826E+01 O6 1837 15.999400 -0.847600 -1.7278E+01 -1.4366E+01 -7.9023E+00 H1 1838 1.008000 0.423800 -1.7393E+01 -1.4138E+01 -6.9355E+00 H2 1839 1.008000 0.423800 -1.7663E+01 -1.5272E+01 -8.0786E+00 O6 1840 15.999400 -0.847600 6.9455E+00 -2.8224E+00 -3.1634E+00 H1 1841 1.008000 0.423800 6.6410E+00 -1.9574E+00 -3.5621E+00 H2 1842 1.008000 0.423800 6.6262E+00 -3.5815E+00 -3.7306E+00 O6 1843 15.999400 -0.847600 1.3774E+01 1.2443E+01 -1.6491E+00 H1 1844 1.008000 0.423800 1.3797E+01 1.3316E+01 -2.1367E+00 H2 1845 1.008000 0.423800 1.4624E+01 1.1944E+01 -1.8185E+00 O6 1846 15.999400 -0.847600 -1.8530E+01 4.3529E+00 -1.6283E+01 H1 1847 1.008000 0.423800 -1.8392E+01 3.3890E+00 -1.6055E+01 H2 1848 1.008000 0.423800 -1.7657E+01 4.8370E+00 -1.6227E+01 O6 1849 15.999400 -0.847600 1.3208E+01 1.2310E+00 -1.9792E+00 H1 1850 1.008000 0.423800 1.4190E+01 1.2729E+00 -1.7947E+00 H2 1851 1.008000 0.423800 1.2753E+01 7.2268E-01 -1.2480E+00 O6 1852 15.999400 -0.847600 1.6383E+01 9.2190E+00 3.7423E+00 H1 1853 1.008000 0.423800 1.7014E+01 9.6107E+00 3.0726E+00 H2 1854 1.008000 0.423800 1.6876E+01 9.0258E+00 4.5909E+00 O6 1855 15.999400 -0.847600 1.4318E+01 -1.5119E+01 -1.1437E+01 H1 1856 1.008000 0.423800 1.4722E+01 -1.4206E+01 -1.1378E+01 H2 1857 1.008000 0.423800 1.3950E+01 -1.5380E+01 -1.0545E+01 O6 1858 15.999400 -0.847600 3.3934E+00 -7.6946E+00 1.2507E+01 H1 1859 1.008000 0.423800 4.3208E+00 -7.8659E+00 1.2839E+01 H2 1860 1.008000 0.423800 3.4194E+00 -6.9950E+00 1.1793E+01 O6 1861 15.999400 -0.847600 1.6693E+01 -6.2457E+00 1.7480E+01 H1 1862 1.008000 0.423800 1.5903E+01 -5.9537E+00 1.8019E+01 H2 1863 1.008000 0.423800 1.7533E+01 -5.9375E+00 1.7927E+01 O6 1864 15.999400 -0.847600 -1.2388E+01 1.3554E+01 3.8342E+00 H1 1865 1.008000 0.423800 -1.2677E+01 1.3594E+01 4.7907E+00 H2 1866 1.008000 0.423800 -1.3051E+01 1.4040E+01 3.2650E+00 O6 1867 15.999400 -0.847600 -2.9223E+00 4.1096E+00 9.1466E+00 H1 1868 1.008000 0.423800 -1.9403E+00 3.9711E+00 9.2755E+00 H2 1869 1.008000 0.423800 -3.0906E+00 4.4675E+00 8.2282E+00 O6 1870 15.999400 -0.847600 -4.4864E+00 5.5241E+00 3.4198E+00 H1 1871 1.008000 0.423800 -3.8427E+00 5.0105E+00 2.8524E+00 H2 1872 1.008000 0.423800 -4.0291E+00 6.3295E+00 3.7968E+00 O6 1873 15.999400 -0.847600 -8.6366E+00 1.9094E+01 -4.0744E+00 H1 1874 1.008000 0.423800 -7.7637E+00 1.8608E+01 -4.1202E+00 H2 1875 1.008000 0.423800 -8.5311E+00 -1.9181E+01 -3.5159E+00 O6 1876 15.999400 -0.847600 4.8842E+00 1.4115E+01 1.3875E+01 H1 1877 1.008000 0.423800 5.4814E+00 1.3533E+01 1.4427E+01 H2 1878 1.008000 0.423800 3.9694E+00 1.4131E+01 1.4278E+01 O6 1879 15.999400 -0.847600 -1.7582E+00 1.8703E+00 6.3698E+00 H1 1880 1.008000 0.423800 -2.0230E+00 2.7569E+00 6.7492E+00 H2 1881 1.008000 0.423800 -1.9961E+00 1.1463E+00 7.0172E+00 O6 1882 15.999400 -0.847600 1.2082E+01 -1.0330E+01 -4.7439E+00 H1 1883 1.008000 0.423800 1.1419E+01 -1.0719E+01 -4.1037E+00 H2 1884 1.008000 0.423800 1.2051E+01 -1.0838E+01 -5.6050E+00 O6 1885 15.999400 -0.847600 -1.3949E+01 1.9136E+00 9.3679E+00 H1 1886 1.008000 0.423800 -1.3158E+01 1.3020E+00 9.3985E+00 H2 1887 1.008000 0.423800 -1.4686E+01 1.4799E+00 8.8496E+00 O6 1888 15.999400 -0.847600 -1.2237E+01 -1.4842E+01 -8.7742E+00 H1 1889 1.008000 0.423800 -1.2861E+01 -1.4829E+01 -7.9927E+00 H2 1890 1.008000 0.423800 -1.1489E+01 -1.5480E+01 -8.5927E+00 O6 1891 15.999400 -0.847600 -1.7571E+01 -8.7349E+00 3.5195E+00 H1 1892 1.008000 0.423800 -1.8495E+01 -8.8109E+00 3.1456E+00 H2 1893 1.008000 0.423800 -1.7592E+01 -8.1787E+00 4.3503E+00 O6 1894 15.999400 -0.847600 3.4052E+00 8.9559E+00 5.6951E+00 H1 1895 1.008000 0.423800 2.8392E+00 8.7513E+00 4.8965E+00 H2 1896 1.008000 0.423800 3.9223E+00 9.7959E+00 5.5307E+00 O6 1897 15.999400 -0.847600 1.0875E+01 2.5499E+00 -2.4764E+00 H1 1898 1.008000 0.423800 1.0885E+01 3.4507E+00 -2.9106E+00 H2 1899 1.008000 0.423800 1.1814E+01 2.2457E+00 -2.3179E+00 O6 1900 15.999400 -0.847600 1.8748E+01 -4.8529E+00 -7.0417E+00 H1 1901 1.008000 0.423800 -1.9356E+01 -4.9568E+00 -7.0895E+00 H2 1902 1.008000 0.423800 1.8458E+01 -4.8574E+00 -6.0846E+00 O6 1903 15.999400 -0.847600 -1.4158E+01 -1.1856E+01 -1.3418E+01 H1 1904 1.008000 0.423800 -1.3196E+01 -1.1975E+01 -1.3171E+01 H2 1905 1.008000 0.423800 -1.4313E+01 -1.0912E+01 -1.3711E+01 O6 1906 15.999400 -0.847600 -4.7378E+00 -2.0668E+00 -1.3813E+01 H1 1907 1.008000 0.423800 -4.6933E+00 -1.7905E+00 -1.2853E+01 H2 1908 1.008000 0.423800 -4.7464E+00 -1.2529E+00 -1.4394E+01 O6 1909 15.999400 -0.847600 5.5805E+00 -7.6298E+00 -1.3554E+01 H1 1910 1.008000 0.423800 5.1684E+00 -7.1563E+00 -1.2775E+01 H2 1911 1.008000 0.423800 5.9283E+00 -6.9572E+00 -1.4207E+01 O6 1912 15.999400 -0.847600 -5.9840E+00 1.2656E+01 3.0939E+00 H1 1913 1.008000 0.423800 -5.8973E+00 1.3471E+01 2.5204E+00 H2 1914 1.008000 0.423800 -6.7485E+00 1.2774E+01 3.7275E+00 O6 1915 15.999400 -0.847600 1.0911E+01 -1.0061E+01 5.3052E-01 H1 1916 1.008000 0.423800 1.0749E+01 -1.0269E+01 1.4951E+00 H2 1917 1.008000 0.423800 1.0968E+01 -9.0703E+00 4.0839E-01 O6 1918 15.999400 -0.847600 -1.5772E+01 9.2779E+00 -3.7199E+00 H1 1919 1.008000 0.423800 -1.5759E+01 1.0225E+01 -4.0412E+00 H2 1920 1.008000 0.423800 -1.5028E+01 9.1372E+00 -3.0675E+00 O6 1921 15.999400 -0.847600 -7.6610E+00 -4.4805E+00 1.8732E+01 H1 1922 1.008000 0.423800 -8.4419E+00 -4.8890E+00 1.8259E+01 H2 1923 1.008000 0.423800 -6.8764E+00 -4.4483E+00 1.8113E+01 O6 1924 15.999400 -0.847600 4.6335E+00 1.2988E+01 -1.1015E+01 H1 1925 1.008000 0.423800 5.5686E+00 1.2934E+01 -1.0665E+01 H2 1926 1.008000 0.423800 4.4593E+00 1.3910E+01 -1.1360E+01 O6 1927 15.999400 -0.847600 1.9317E+01 1.2534E+01 1.3333E+01 H1 1928 1.008000 0.423800 1.8354E+01 1.2751E+01 1.3173E+01 H2 1929 1.008000 0.423800 -1.9216E+01 1.3321E+01 1.3085E+01 O6 1930 15.999400 -0.847600 6.7207E+00 -1.8809E+01 -1.0494E+01 H1 1931 1.008000 0.423800 7.6529E+00 -1.9081E+01 -1.0733E+01 H2 1932 1.008000 0.423800 6.0991E+00 1.9521E+01 -1.0651E+01 O6 1933 15.999400 -0.847600 -1.7806E+00 7.7718E+00 1.2900E+01 H1 1934 1.008000 0.423800 -7.8963E-01 7.6624E+00 1.2979E+01 H2 1935 1.008000 0.423800 -2.2331E+00 6.9301E+00 1.3195E+01 O6 1936 15.999400 -0.847600 -1.7340E+01 -4.8033E+00 1.5181E+01 H1 1937 1.008000 0.423800 -1.7754E+01 -5.6581E+00 1.5494E+01 H2 1938 1.008000 0.423800 -1.6478E+01 -5.0019E+00 1.4713E+01 O6 1939 15.999400 -0.847600 6.2171E+00 -1.3614E+01 -5.0516E-01 H1 1940 1.008000 0.423800 7.0318E+00 -1.4138E+01 -7.5402E-01 H2 1941 1.008000 0.423800 5.7727E+00 -1.3275E+01 -1.3344E+00 O6 1942 15.999400 -0.847600 3.6514E+00 -1.2576E+01 1.9042E+01 H1 1943 1.008000 0.423800 3.0980E+00 -1.3244E+01 1.8544E+01 H2 1944 1.008000 0.423800 3.6052E+00 -1.2771E+01 -1.9076E+01 O6 1945 15.999400 -0.847600 1.0878E+01 1.0580E+01 1.6563E+01 H1 1946 1.008000 0.423800 1.0361E+01 1.1260E+01 1.7085E+01 H2 1947 1.008000 0.423800 1.0249E+01 9.8988E+00 1.6189E+01 O6 1948 15.999400 -0.847600 4.4083E-01 1.4569E+01 1.0256E+00 H1 1949 1.008000 0.423800 9.4304E-01 1.4982E+01 1.7856E+00 H2 1950 1.008000 0.423800 2.3969E-01 1.3613E+01 1.2392E+00 O6 1951 15.999400 -0.847600 1.8697E+01 -1.5542E+01 1.3500E+01 H1 1952 1.008000 0.423800 1.8140E+01 -1.4827E+01 1.3077E+01 H2 1953 1.008000 0.423800 1.8412E+01 -1.6435E+01 1.3153E+01 O6 1954 15.999400 -0.847600 1.8368E+01 -7.7698E-01 5.9586E-01 H1 1955 1.008000 0.423800 1.8537E+01 1.9079E-01 7.8297E-01 H2 1956 1.008000 0.423800 1.7672E+01 -8.6221E-01 -1.1667E-01 O6 1957 15.999400 -0.847600 1.8682E+01 -3.5416E+00 7.0803E+00 H1 1958 1.008000 0.423800 1.8326E+01 -4.4601E+00 7.2518E+00 H2 1959 1.008000 0.423800 1.8824E+01 -3.0712E+00 7.9513E+00 O6 1960 15.999400 -0.847600 -1.3898E+01 1.0375E+01 -1.2706E+01 H1 1961 1.008000 0.423800 -1.4643E+01 9.7278E+00 -1.2545E+01 H2 1962 1.008000 0.423800 -1.3710E+01 1.0428E+01 -1.3687E+01 O6 1963 15.999400 -0.847600 1.5549E+01 1.3512E+01 -4.8728E+00 H1 1964 1.008000 0.423800 1.4601E+01 1.3193E+01 -4.9018E+00 H2 1965 1.008000 0.423800 1.5566E+01 1.4510E+01 -4.9346E+00 O6 1966 15.999400 -0.847600 1.2381E+01 1.5706E+01 3.3183E+00 H1 1967 1.008000 0.423800 1.2926E+01 1.5175E+01 2.6697E+00 H2 1968 1.008000 0.423800 1.2907E+01 1.6498E+01 3.6270E+00 O6 1969 15.999400 -0.847600 1.7645E+01 9.1106E+00 -4.4854E+00 H1 1970 1.008000 0.423800 1.7436E+01 9.8123E+00 -5.1664E+00 H2 1971 1.008000 0.423800 1.8637E+01 9.0242E+00 -4.3903E+00 O6 1972 15.999400 -0.847600 -1.2070E+01 -6.8209E+00 -1.0510E+01 H1 1973 1.008000 0.423800 -1.2572E+01 -6.0605E+00 -1.0923E+01 H2 1974 1.008000 0.423800 -1.2202E+01 -7.6449E+00 -1.1061E+01 O6 1975 15.999400 -0.847600 -1.5236E+01 -3.5903E+00 6.1400E-01 H1 1976 1.008000 0.423800 -1.6193E+01 -3.3271E+00 4.9126E-01 H2 1977 1.008000 0.423800 -1.5120E+01 -4.5515E+00 3.6378E-01 O6 1978 15.999400 -0.847600 1.7441E+01 7.0896E+00 -1.9514E+01 H1 1979 1.008000 0.423800 1.8319E+01 7.2764E+00 1.9143E+01 H2 1980 1.008000 0.423800 1.7516E+01 7.2679E+00 -1.8533E+01 O6 1981 15.999400 -0.847600 -9.3893E+00 -1.7716E+01 1.9253E+00 H1 1982 1.008000 0.423800 -8.4085E+00 -1.7908E+01 1.8910E+00 H2 1983 1.008000 0.423800 -9.9003E+00 -1.8564E+01 1.7886E+00 O6 1984 15.999400 -0.847600 -1.0711E+00 4.6051E+00 -1.7457E+01 H1 1985 1.008000 0.423800 -1.7541E+00 5.2033E+00 -1.7038E+01 H2 1986 1.008000 0.423800 -1.3810E+00 3.6559E+00 -1.7402E+01 O6 1987 15.999400 -0.847600 1.5181E+01 -7.2872E-01 2.6376E+00 H1 1988 1.008000 0.423800 1.5351E+01 -1.4382E+00 1.9539E+00 H2 1989 1.008000 0.423800 1.4197E+01 -5.6023E-01 2.7050E+00 O6 1990 15.999400 -0.847600 1.2134E+01 1.5126E+01 -1.7217E+01 H1 1991 1.008000 0.423800 1.2024E+01 1.4253E+01 -1.7692E+01 H2 1992 1.008000 0.423800 1.1903E+01 1.5875E+01 -1.7838E+01 O6 1993 15.999400 -0.847600 -1.8210E+01 2.7540E+00 2.4681E+00 H1 1994 1.008000 0.423800 -1.7397E+01 2.1919E+00 2.3138E+00 H2 1995 1.008000 0.423800 -1.8346E+01 2.8810E+00 3.4506E+00 O6 1996 15.999400 -0.847600 -1.0147E+01 -1.8876E+00 -1.3573E+01 H1 1997 1.008000 0.423800 -9.3471E+00 -2.0002E+00 -1.4163E+01 H2 1998 1.008000 0.423800 -1.0709E+01 -2.7135E+00 -1.3613E+01 O6 1999 15.999400 -0.847600 -1.3370E+01 2.1136E+00 -1.3807E+01 H1 2000 1.008000 0.423800 -1.3062E+01 1.9660E+00 -1.4746E+01 H2 2001 1.008000 0.423800 -1.3399E+01 1.2381E+00 -1.3324E+01 O6 2002 15.999400 -0.847600 -1.4356E+01 -1.5866E+01 -3.8175E+00 H1 2003 1.008000 0.423800 -1.3682E+01 -1.6388E+01 -3.2944E+00 H2 2004 1.008000 0.423800 -1.4584E+01 -1.6362E+01 -4.6555E+00 O6 2005 15.999400 -0.847600 9.8708E-01 -7.6480E+00 6.9589E+00 H1 2006 1.008000 0.423800 6.7966E-01 -6.8982E+00 6.3730E+00 H2 2007 1.008000 0.423800 1.9575E+00 -7.8239E+00 6.7934E+00 O6 2008 15.999400 -0.847600 1.2317E+01 7.6573E+00 -1.2675E+01 H1 2009 1.008000 0.423800 1.2997E+01 7.9378E+00 -1.3352E+01 H2 2010 1.008000 0.423800 1.2735E+01 7.6505E+00 -1.1766E+01 O6 2011 15.999400 -0.847600 1.3994E+01 -7.0485E+00 7.2541E+00 H1 2012 1.008000 0.423800 1.4567E+01 -6.5524E+00 6.6013E+00 H2 2013 1.008000 0.423800 1.4478E+01 -7.8658E+00 7.5674E+00 O6 2014 15.999400 -0.847600 1.3122E+01 -1.9243E+01 -1.9023E+01 H1 2015 1.008000 0.423800 1.3622E+01 -1.8391E+01 -1.9177E+01 H2 2016 1.008000 0.423800 1.3711E+01 1.9078E+01 -1.9244E+01 O6 2017 15.999400 -0.847600 1.7283E+01 -1.1604E+01 1.1438E+00 H1 2018 1.008000 0.423800 1.6686E+01 -1.2374E+01 9.1568E-01 H2 2019 1.008000 0.423800 1.8167E+01 -1.1723E+01 6.9165E-01 O6 2020 15.999400 -0.847600 -1.3203E+01 3.4341E+00 -5.7040E+00 H1 2021 1.008000 0.423800 -1.4129E+01 3.1742E+00 -5.4326E+00 H2 2022 1.008000 0.423800 -1.3160E+01 4.4243E+00 -5.8366E+00 O6 2023 15.999400 -0.847600 1.0098E+01 1.2184E+01 -3.4332E+00 H1 2024 1.008000 0.423800 9.2569E+00 1.2146E+01 -3.9724E+00 H2 2025 1.008000 0.423800 1.0064E+01 1.1491E+01 -2.7130E+00 O6 2026 15.999400 -0.847600 3.3954E+00 2.9134E+00 -2.0330E+00 H1 2027 1.008000 0.423800 3.6527E+00 2.3871E+00 -1.2225E+00 H2 2028 1.008000 0.423800 2.4150E+00 2.8094E+00 -2.2004E+00 O6 2029 15.999400 -0.847600 -8.5453E+00 2.2283E+00 -5.7180E+00 H1 2030 1.008000 0.423800 -9.0520E+00 2.6922E+00 -4.9913E+00 H2 2031 1.008000 0.423800 -9.0250E+00 2.3477E+00 -6.5873E+00 O6 2032 15.999400 -0.847600 1.9246E+01 5.9901E+00 1.5165E+01 H1 2033 1.008000 0.423800 1.8783E+01 5.4314E+00 1.5853E+01 H2 2034 1.008000 0.423800 -1.8864E+01 5.9603E+00 1.5320E+01 O6 2035 15.999400 -0.847600 3.5343E+00 9.9724E-01 1.8038E+01 H1 2036 1.008000 0.423800 2.7683E+00 1.5245E+00 1.8406E+01 H2 2037 1.008000 0.423800 3.3216E+00 2.1402E-02 1.8088E+01 O6 2038 15.999400 -0.847600 -2.4883E+00 -1.1184E+01 -5.9152E+00 H1 2039 1.008000 0.423800 -1.7167E+00 -1.0607E+01 -6.1831E+00 H2 2040 1.008000 0.423800 -3.3113E+00 -1.0622E+01 -5.8317E+00 O6 2041 15.999400 -0.847600 8.3886E+00 1.1362E+01 1.2483E+01 H1 2042 1.008000 0.423800 8.4755E+00 1.1116E+01 1.3448E+01 H2 2043 1.008000 0.423800 8.4863E+00 1.2353E+01 1.2382E+01 O6 2044 15.999400 -0.847600 1.8140E+01 1.5114E+01 7.1985E+00 H1 2045 1.008000 0.423800 1.8872E+01 1.4711E+01 7.7485E+00 H2 2046 1.008000 0.423800 1.7468E+01 1.5544E+01 7.8013E+00 O6 2047 15.999400 -0.847600 8.5897E+00 8.1959E+00 -1.1653E+01 H1 2048 1.008000 0.423800 8.6599E+00 9.1933E+00 -1.1667E+01 H2 2049 1.008000 0.423800 8.7261E+00 7.8649E+00 -1.0719E+01 O6 2050 15.999400 -0.847600 -1.0476E+01 3.0489E+00 -4.1596E+00 H1 2051 1.008000 0.423800 -1.0141E+01 3.9019E+00 -3.7600E+00 H2 2052 1.008000 0.423800 -1.1196E+01 3.2525E+00 -4.8232E+00 O6 2053 15.999400 -0.847600 -9.5146E+00 1.8447E+01 -1.9356E+01 H1 2054 1.008000 0.423800 -1.0382E+01 1.7976E+01 -1.9517E+01 H2 2055 1.008000 0.423800 -8.7775E+00 1.7956E+01 1.9277E+01 O6 2056 15.999400 -0.847600 2.2744E+00 -1.3018E+01 -8.6097E+00 H1 2057 1.008000 0.423800 2.5322E+00 -1.3978E+01 -8.4972E+00 H2 2058 1.008000 0.423800 1.6894E+00 -1.2739E+01 -7.8483E+00 O6 2059 15.999400 -0.847600 -1.8362E+01 -5.6552E+00 -1.8443E+01 H1 2060 1.008000 0.423800 -1.7607E+01 -6.1918E+00 -1.8065E+01 H2 2061 1.008000 0.423800 -1.8074E+01 -4.7033E+00 -1.8548E+01 O6 2062 15.999400 -0.847600 1.6770E+01 -1.3063E+00 4.8912E+00 H1 2063 1.008000 0.423800 1.7295E+01 -2.0035E+00 4.4031E+00 H2 2064 1.008000 0.423800 1.6029E+01 -9.7743E-01 4.3064E+00 O6 2065 15.999400 -0.847600 -1.0327E+01 1.0895E+01 1.5708E+01 H1 2066 1.008000 0.423800 -1.1147E+01 1.0352E+01 1.5529E+01 H2 2067 1.008000 0.423800 -1.0414E+01 1.1786E+01 1.5263E+01 O6 2068 15.999400 -0.847600 1.0060E+01 -3.1427E+00 -1.9409E+01 H1 2069 1.008000 0.423800 1.0009E+01 -3.6368E+00 -1.8541E+01 H2 2070 1.008000 0.423800 9.4124E+00 -3.5422E+00 1.9040E+01 O6 2071 15.999400 -0.847600 -7.3680E+00 2.5351E+00 -2.4530E+00 H1 2072 1.008000 0.423800 -6.4152E+00 2.7875E+00 -2.6216E+00 H2 2073 1.008000 0.423800 -7.9642E+00 3.2978E+00 -2.7039E+00 O6 2074 15.999400 -0.847600 -3.7755E+00 4.8627E+00 1.9008E+01 H1 2075 1.008000 0.423800 -3.3483E+00 5.3286E+00 1.8233E+01 H2 2076 1.008000 0.423800 -4.6987E+00 5.2219E+00 1.9145E+01 O6 2077 15.999400 -0.847600 1.2492E+01 2.7053E+00 4.0224E+00 H1 2078 1.008000 0.423800 1.2975E+01 2.8808E+00 4.8807E+00 H2 2079 1.008000 0.423800 1.2591E+01 3.4950E+00 3.4170E+00 O6 2080 15.999400 -0.847600 -2.6215E+00 1.4603E+01 -2.6199E+00 H1 2081 1.008000 0.423800 -2.4526E+00 1.4954E+01 -1.6986E+00 H2 2082 1.008000 0.423800 -2.5736E+00 1.3605E+01 -2.6105E+00 O6 2083 15.999400 -0.847600 -7.3729E+00 -5.0511E+00 6.6750E+00 H1 2084 1.008000 0.423800 -8.0131E+00 -4.3725E+00 7.0351E+00 H2 2085 1.008000 0.423800 -7.5360E+00 -5.1767E+00 5.6964E+00 O6 2086 15.999400 -0.847600 -7.2979E+00 4.8501E+00 1.4973E+01 H1 2087 1.008000 0.423800 -8.1654E+00 4.7254E+00 1.5455E+01 H2 2088 1.008000 0.423800 -7.4747E+00 4.9934E+00 1.4000E+01 O6 2089 15.999400 -0.847600 3.8329E+00 -4.3108E+00 9.4467E+00 H1 2090 1.008000 0.423800 4.7534E+00 -4.6644E+00 9.2801E+00 H2 2091 1.008000 0.423800 3.7048E+00 -4.1639E+00 1.0427E+01 O6 2092 15.999400 -0.847600 -4.7963E+00 -9.6720E+00 -6.0975E+00 H1 2093 1.008000 0.423800 -5.3389E+00 -9.1191E+00 -5.4651E+00 H2 2094 1.008000 0.423800 -5.1809E+00 -9.5998E+00 -7.0177E+00 O6 2095 15.999400 -0.847600 1.9238E+01 1.2824E+01 4.4337E+00 H1 2096 1.008000 0.423800 -1.9438E+01 1.3726E+01 4.3428E+00 H2 2097 1.008000 0.423800 1.8333E+01 1.2835E+01 4.0090E+00 O6 2098 15.999400 -0.847600 -1.4456E+01 4.7626E+00 8.5443E+00 H1 2099 1.008000 0.423800 -1.4269E+01 3.8934E+00 9.0018E+00 H2 2100 1.008000 0.423800 -1.5309E+01 5.1478E+00 8.8972E+00 O6 2101 15.999400 -0.847600 2.5413E-01 -1.8099E+01 -3.5612E+00 H1 2102 1.008000 0.423800 3.4893E-01 -1.9027E+01 -3.9211E+00 H2 2103 1.008000 0.423800 1.0607E+00 -1.7869E+01 -3.0168E+00 O6 2104 15.999400 -0.847600 1.0983E+00 -1.6025E+01 3.9171E-02 H1 2105 1.008000 0.423800 1.2397E+00 -1.6134E+01 1.0232E+00 H2 2106 1.008000 0.423800 1.6138E-01 -1.5720E+01 -1.3130E-01 O6 2107 15.999400 -0.847600 1.4145E+01 8.2630E+00 -1.0550E+01 H1 2108 1.008000 0.423800 1.4681E+01 7.7671E+00 -9.8669E+00 H2 2109 1.008000 0.423800 1.4741E+01 8.5378E+00 -1.1305E+01 O6 2110 15.999400 -0.847600 -1.6022E+01 -8.2320E+00 1.7357E+01 H1 2111 1.008000 0.423800 -1.6061E+01 -8.5729E+00 1.8296E+01 H2 2112 1.008000 0.423800 -1.5539E+01 -7.3564E+00 1.7340E+01 O6 2113 15.999400 -0.847600 1.7019E+01 8.5259E+00 1.6367E+01 H1 2114 1.008000 0.423800 1.6943E+01 8.5000E+00 1.7364E+01 H2 2115 1.008000 0.423800 1.7000E+01 7.5932E+00 1.6007E+01 O6 2116 15.999400 -0.847600 -1.5929E+01 1.1711E+01 -1.6960E+01 H1 2117 1.008000 0.423800 -1.5333E+01 1.1801E+01 -1.7758E+01 H2 2118 1.008000 0.423800 -1.6556E+01 1.0944E+01 -1.7097E+01 O6 2119 15.999400 -0.847600 9.7914E+00 1.8998E+01 5.7995E+00 H1 2120 1.008000 0.423800 9.6097E+00 -1.9200E+01 5.4005E+00 H2 2121 1.008000 0.423800 9.3846E+00 1.8290E+01 5.2232E+00 O6 2122 15.999400 -0.847600 -1.3077E+01 1.1564E+01 1.3658E+01 H1 2123 1.008000 0.423800 -1.2236E+01 1.1863E+01 1.3207E+01 H2 2124 1.008000 0.423800 -1.3362E+01 1.0683E+01 1.3280E+01 O6 2125 15.999400 -0.847600 9.8985E+00 9.6615E+00 1.1912E+00 H1 2126 1.008000 0.423800 9.7703E+00 1.0643E+01 1.0491E+00 H2 2127 1.008000 0.423800 1.0876E+01 9.4539E+00 1.2201E+00 O6 2128 15.999400 -0.847600 -1.0777E+01 -2.5367E+00 1.3763E+01 H1 2129 1.008000 0.423800 -1.0167E+01 -2.2901E+00 1.3010E+01 H2 2130 1.008000 0.423800 -1.0774E+01 -3.5294E+00 1.3883E+01 O6 2131 15.999400 -0.847600 1.3023E+01 -1.0516E+01 -1.1374E+01 H1 2132 1.008000 0.423800 1.2467E+01 -1.1167E+01 -1.1890E+01 H2 2133 1.008000 0.423800 1.2490E+01 -1.0157E+01 -1.0608E+01 O6 2134 15.999400 -0.847600 -1.2542E+01 1.7991E+01 -5.9856E+00 H1 2135 1.008000 0.423800 -1.2023E+01 1.8755E+01 -5.6022E+00 H2 2136 1.008000 0.423800 -1.1935E+01 1.7208E+01 -6.1169E+00 O6 2137 15.999400 -0.847600 -5.0514E+00 9.6162E+00 -2.1170E+00 H1 2138 1.008000 0.423800 -4.8713E+00 1.0512E+01 -2.5244E+00 H2 2139 1.008000 0.423800 -4.6898E+00 9.5954E+00 -1.1849E+00 O6 2140 15.999400 -0.847600 6.2245E+00 -1.0625E+01 1.0055E+01 H1 2141 1.008000 0.423800 6.6057E+00 -1.0527E+01 1.0975E+01 H2 2142 1.008000 0.423800 5.5094E+00 -9.9395E+00 9.9167E+00 O6 2143 15.999400 -0.847600 1.3032E+01 1.2337E+01 -1.4647E+01 H1 2144 1.008000 0.423800 1.2805E+01 1.1635E+01 -1.3972E+01 H2 2145 1.008000 0.423800 1.2217E+01 1.2878E+01 -1.4852E+01 O6 2146 15.999400 -0.847600 2.5706E+00 -1.9421E+01 7.4076E-01 H1 2147 1.008000 0.423800 2.1320E+00 -1.9105E+01 1.5819E+00 H2 2148 1.008000 0.423800 2.9428E+00 -1.8637E+01 2.4377E-01 O6 2149 15.999400 -0.847600 -8.3471E-01 1.7983E+01 -1.1941E+01 H1 2150 1.008000 0.423800 -1.6570E+00 1.7661E+01 -1.1473E+01 H2 2151 1.008000 0.423800 -1.0944E+00 1.8609E+01 -1.2677E+01 O6 2152 15.999400 -0.847600 2.3157E+00 -2.6226E-01 1.0498E+01 H1 2153 1.008000 0.423800 1.5885E+00 3.8302E-01 1.0264E+01 H2 2154 1.008000 0.423800 2.1236E+00 -1.1482E+00 1.0076E+01 O6 2155 15.999400 -0.847600 -5.4789E+00 -1.2737E+01 8.7306E+00 H1 2156 1.008000 0.423800 -5.5842E+00 -1.2911E+01 7.7515E+00 H2 2157 1.008000 0.423800 -4.5063E+00 -1.2679E+01 8.9561E+00 O6 2158 15.999400 -0.847600 -7.3455E+00 -1.5337E+01 1.3523E+01 H1 2159 1.008000 0.423800 -7.3873E+00 -1.4598E+01 1.2850E+01 H2 2160 1.008000 0.423800 -7.9014E+00 -1.6106E+01 1.3208E+01 O6 2161 15.999400 -0.847600 2.5566E+00 -3.1835E+00 -7.8203E+00 H1 2162 1.008000 0.423800 2.4020E+00 -3.9401E+00 -8.4557E+00 H2 2163 1.008000 0.423800 1.9588E+00 -3.2883E+00 -7.0255E+00 O6 2164 15.999400 -0.847600 -1.5387E+01 1.1293E+01 -6.6824E+00 H1 2165 1.008000 0.423800 -1.5004E+01 1.2002E+01 -7.2742E+00 H2 2166 1.008000 0.423800 -1.4832E+01 1.1213E+01 -5.8550E+00 O6 2167 15.999400 -0.847600 -1.7589E+01 -3.0828E+00 -1.9454E+01 H1 2168 1.008000 0.423800 -1.8160E+01 -2.7916E+00 1.8876E+01 H2 2169 1.008000 0.423800 -1.6637E+01 -3.1463E+00 1.9346E+01 O6 2170 15.999400 -0.847600 -8.4567E+00 8.6246E+00 1.8117E+01 H1 2171 1.008000 0.423800 -8.7776E+00 8.2127E+00 1.7264E+01 H2 2172 1.008000 0.423800 -7.9156E+00 7.9560E+00 1.8627E+01 O6 2173 15.999400 -0.847600 -1.1433E+00 1.5947E+01 -6.5453E-01 H1 2174 1.008000 0.423800 -6.0393E-01 1.5380E+01 -3.1992E-02 H2 2175 1.008000 0.423800 -5.4644E-01 1.6326E+01 -1.3619E+00 O6 2176 15.999400 -0.847600 1.8864E+01 7.0070E+00 -8.9946E+00 H1 2177 1.008000 0.423800 1.8175E+01 7.1142E+00 -8.2774E+00 H2 2178 1.008000 0.423800 -1.9427E+01 7.5513E+00 -8.7656E+00 O6 2179 15.999400 -0.847600 5.5169E+00 1.0360E+01 -3.5522E+00 H1 2180 1.008000 0.423800 6.2933E+00 1.0211E+01 -2.9399E+00 H2 2181 1.008000 0.423800 5.2321E+00 9.4873E+00 -3.9484E+00 O6 2182 15.999400 -0.847600 1.1350E+01 1.0727E+01 1.3752E+01 H1 2183 1.008000 0.423800 1.0809E+01 9.8864E+00 1.3775E+01 H2 2184 1.008000 0.423800 1.1492E+01 1.1058E+01 1.4685E+01 O6 2185 15.999400 -0.847600 -3.2539E+00 -1.7722E+01 -1.1953E+01 H1 2186 1.008000 0.423800 -3.5904E+00 -1.8587E+01 -1.2327E+01 H2 2187 1.008000 0.423800 -2.2767E+00 -1.7634E+01 -1.2146E+01 O6 2188 15.999400 -0.847600 1.0915E+01 1.6236E+01 8.7846E+00 H1 2189 1.008000 0.423800 1.1717E+01 1.5839E+01 9.2306E+00 H2 2190 1.008000 0.423800 1.1198E+01 1.6712E+01 7.9523E+00 O6 2191 15.999400 -0.847600 2.8420E+00 -1.5601E+00 -1.3675E+01 H1 2192 1.008000 0.423800 3.6117E+00 -2.1794E+00 -1.3830E+01 H2 2193 1.008000 0.423800 2.4745E+00 -1.7089E+00 -1.2757E+01 O6 2194 15.999400 -0.847600 -1.2649E+01 -1.7495E+01 1.0870E+01 H1 2195 1.008000 0.423800 -1.2666E+01 -1.7446E+01 1.1869E+01 H2 2196 1.008000 0.423800 -1.2023E+01 -1.8220E+01 1.0582E+01 O6 2197 15.999400 -0.847600 -7.3320E+00 3.3028E+00 -1.8984E+01 H1 2198 1.008000 0.423800 -7.1889E+00 3.0060E+00 -1.8040E+01 H2 2199 1.008000 0.423800 -8.0563E+00 3.9918E+00 -1.9011E+01 O6 2200 15.999400 -0.847600 -1.0685E+01 9.2527E+00 1.2567E+01 H1 2201 1.008000 0.423800 -1.1643E+01 9.2640E+00 1.2282E+01 H2 2202 1.008000 0.423800 -1.0605E+01 8.7897E+00 1.3450E+01 O6 2203 15.999400 -0.847600 1.5417E+01 -1.1179E+01 1.3831E+01 H1 2204 1.008000 0.423800 1.6294E+01 -1.1044E+01 1.3371E+01 H2 2205 1.008000 0.423800 1.5359E+01 -1.0573E+01 1.4624E+01 O6 2206 15.999400 -0.847600 -1.5637E+00 -9.0177E+00 1.7026E+01 H1 2207 1.008000 0.423800 -2.0486E+00 -8.6699E+00 1.7829E+01 H2 2208 1.008000 0.423800 -8.4312E-01 -9.6463E+00 1.7319E+01 O6 2209 15.999400 -0.847600 1.4165E+01 2.8452E+00 1.4436E+01 H1 2210 1.008000 0.423800 1.4145E+01 3.5106E+00 1.3689E+01 H2 2211 1.008000 0.423800 1.4982E+01 2.9942E+00 1.4993E+01 O6 2212 15.999400 -0.847600 1.4433E+01 3.2616E+00 1.0680E+01 H1 2213 1.008000 0.423800 1.5252E+01 2.7135E+00 1.0852E+01 H2 2214 1.008000 0.423800 1.4479E+01 4.1050E+00 1.1216E+01 O6 2215 15.999400 -0.847600 -4.3983E-01 1.4755E+01 -1.4309E+01 H1 2216 1.008000 0.423800 2.6560E-01 1.4958E+01 -1.4989E+01 H2 2217 1.008000 0.423800 -7.3203E-03 1.4456E+01 -1.3459E+01 O6 2218 15.999400 -0.847600 -1.0687E+01 -1.2510E+01 -1.0154E+01 H1 2219 1.008000 0.423800 -1.1434E+01 -1.2553E+01 -9.4905E+00 H2 2220 1.008000 0.423800 -9.8403E+00 -1.2822E+01 -9.7239E+00 O6 2221 15.999400 -0.847600 -1.8084E+01 8.7134E+00 -2.0503E+00 H1 2222 1.008000 0.423800 -1.7582E+01 8.8052E+00 -1.1899E+00 H2 2223 1.008000 0.423800 -1.7695E+01 9.3354E+00 -2.7302E+00 O6 2224 15.999400 -0.847600 6.0880E+00 -1.4577E+01 -4.4668E+00 H1 2225 1.008000 0.423800 6.0542E+00 -1.4070E+01 -5.3278E+00 H2 2226 1.008000 0.423800 5.3568E+00 -1.4259E+01 -3.8634E+00 O6 2227 15.999400 -0.847600 5.0915E+00 -5.0211E+00 -1.6923E+01 H1 2228 1.008000 0.423800 5.2640E+00 -4.0414E+00 -1.6822E+01 H2 2229 1.008000 0.423800 5.6237E+00 -5.5255E+00 -1.6243E+01 O6 2230 15.999400 -0.847600 -1.1409E+01 8.9404E+00 -2.0719E-01 H1 2231 1.008000 0.423800 -1.1343E+01 7.9604E+00 -3.9514E-01 H2 2232 1.008000 0.423800 -1.1239E+01 9.4534E+00 -1.0484E+00 O6 2233 15.999400 -0.847600 -1.5719E+01 1.1754E+01 3.4406E+00 H1 2234 1.008000 0.423800 -1.5255E+01 1.2156E+01 2.6515E+00 H2 2235 1.008000 0.423800 -1.6377E+01 1.1069E+01 3.1269E+00 O6 2236 15.999400 -0.847600 -9.5657E+00 -6.2876E+00 -1.4825E+01 H1 2237 1.008000 0.423800 -1.0003E+01 -6.6785E+00 -1.5635E+01 H2 2238 1.008000 0.423800 -9.9406E+00 -5.3772E+00 -1.4651E+01 O6 2239 15.999400 -0.847600 -9.4108E+00 -1.9503E+01 -8.5090E+00 H1 2240 1.008000 0.423800 -8.8911E+00 -1.8864E+01 -7.9422E+00 H2 2241 1.008000 0.423800 -8.8502E+00 1.8790E+01 -8.7033E+00 O6 2242 15.999400 -0.847600 1.6921E+01 1.2819E+01 3.2179E+00 H1 2243 1.008000 0.423800 1.6814E+01 1.3515E+01 2.5083E+00 H2 2244 1.008000 0.423800 1.7164E+01 1.1946E+01 2.7943E+00 O6 2245 15.999400 -0.847600 -1.4934E+01 -5.9744E+00 -8.4450E+00 H1 2246 1.008000 0.423800 -1.4208E+01 -6.6040E+00 -8.1698E+00 H2 2247 1.008000 0.423800 -1.4857E+01 -5.1269E+00 -7.9198E+00 O6 2248 15.999400 -0.847600 1.3588E+01 1.9147E+01 -7.4300E+00 H1 2249 1.008000 0.423800 1.4043E+01 -1.9292E+01 -6.8309E+00 H2 2250 1.008000 0.423800 1.3969E+01 1.9216E+01 -8.3517E+00 O6 2251 15.999400 -0.847600 -5.5902E+00 -9.7811E+00 9.5693E+00 H1 2252 1.008000 0.423800 -5.4683E+00 -9.3253E+00 8.6876E+00 H2 2253 1.008000 0.423800 -5.6361E+00 -1.0770E+01 9.4296E+00 O6 2254 15.999400 -0.847600 5.8596E+00 -3.9221E+00 -5.5284E+00 H1 2255 1.008000 0.423800 5.6732E+00 -3.0748E+00 -6.0256E+00 H2 2256 1.008000 0.423800 6.7484E+00 -4.2846E+00 -5.8090E+00 O6 2257 15.999400 -0.847600 4.3924E+00 -1.0134E+01 -1.3413E+01 H1 2258 1.008000 0.423800 4.9324E+00 -9.4008E+00 -1.3826E+01 H2 2259 1.008000 0.423800 4.1015E+00 -1.0775E+01 -1.4123E+01 O6 2260 15.999400 -0.847600 -3.3526E+00 1.1386E+00 -1.5512E+01 H1 2261 1.008000 0.423800 -4.1856E+00 1.5098E+00 -1.5102E+01 H2 2262 1.008000 0.423800 -3.0710E+00 1.7180E+00 -1.6277E+01 O6 2263 15.999400 -0.847600 1.9227E+01 -1.5594E+01 3.1759E+00 H1 2264 1.008000 0.423800 1.9451E+01 -1.4846E+01 3.8008E+00 H2 2265 1.008000 0.423800 -1.9447E+01 -1.6439E+01 3.5026E+00 O6 2266 15.999400 -0.847600 -1.8720E+01 1.0846E+00 -1.1396E+01 H1 2267 1.008000 0.423800 -1.7920E+01 5.0973E-01 -1.1225E+01 H2 2268 1.008000 0.423800 -1.8510E+01 1.7401E+00 -1.2122E+01 O6 2269 15.999400 -0.847600 1.6463E+01 1.8923E+01 1.2408E+01 H1 2270 1.008000 0.423800 1.7216E+01 -1.9524E+01 1.2503E+01 H2 2271 1.008000 0.423800 1.5652E+01 1.9398E+01 1.2068E+01 O6 2272 15.999400 -0.847600 -2.8130E+00 1.7414E+01 1.4772E+01 H1 2273 1.008000 0.423800 -2.6431E+00 1.7348E+01 1.5755E+01 H2 2274 1.008000 0.423800 -3.7647E+00 1.7173E+01 1.4582E+01 O6 2275 15.999400 -0.847600 1.7438E+01 1.9248E+01 -1.6682E+01 H1 2276 1.008000 0.423800 1.7527E+01 -1.9087E+01 -1.6042E+01 H2 2277 1.008000 0.423800 1.6510E+01 1.8879E+01 -1.6635E+01 O6 2278 15.999400 -0.847600 -2.7869E+00 1.5072E+01 1.1267E+01 H1 2279 1.008000 0.423800 -2.9307E+00 1.5375E+01 1.0325E+01 H2 2280 1.008000 0.423800 -2.3582E+00 1.5808E+01 1.1792E+01 O6 2281 15.999400 -0.847600 -1.4668E+01 1.6841E+01 -1.6873E+01 H1 2282 1.008000 0.423800 -1.3744E+01 1.7215E+01 -1.6944E+01 H2 2283 1.008000 0.423800 -1.4620E+01 1.5889E+01 -1.6572E+01 O6 2284 15.999400 -0.847600 -1.7201E+01 9.9751E+00 1.8495E+01 H1 2285 1.008000 0.423800 -1.7936E+01 1.0302E+01 1.9089E+01 H2 2286 1.008000 0.423800 -1.6766E+01 9.1768E+00 1.8912E+01 O6 2287 15.999400 -0.847600 1.6357E+01 1.3346E+01 -1.2021E+01 H1 2288 1.008000 0.423800 1.5807E+01 1.3465E+01 -1.2848E+01 H2 2289 1.008000 0.423800 1.7257E+01 1.3758E+01 -1.2158E+01 O6 2290 15.999400 -0.847600 1.4822E+01 -1.2388E+01 -1.0757E+01 H1 2291 1.008000 0.423800 1.4345E+01 -1.1647E+01 -1.1229E+01 H2 2292 1.008000 0.423800 1.5765E+01 -1.2112E+01 -1.0571E+01 O6 2293 15.999400 -0.847600 3.0216E+00 -1.9132E+01 1.2908E+01 H1 2294 1.008000 0.423800 2.6203E+00 -1.8444E+01 1.3512E+01 H2 2295 1.008000 0.423800 4.0162E+00 -1.9128E+01 1.3012E+01 O6 2296 15.999400 -0.847600 -1.9952E+00 -1.4915E+01 3.5566E+00 H1 2297 1.008000 0.423800 -2.5573E+00 -1.4147E+01 3.8641E+00 H2 2298 1.008000 0.423800 -2.5414E+00 -1.5514E+01 2.9718E+00 O6 2299 15.999400 -0.847600 1.0506E+01 -1.4252E+01 -1.3369E+01 H1 2300 1.008000 0.423800 1.0900E+01 -1.3348E+01 -1.3535E+01 H2 2301 1.008000 0.423800 9.8429E+00 -1.4463E+01 -1.4087E+01 O6 2302 15.999400 -0.847600 -8.5768E+00 3.0371E+00 5.8820E+00 H1 2303 1.008000 0.423800 -7.7460E+00 2.5386E+00 5.6344E+00 H2 2304 1.008000 0.423800 -9.1946E+00 3.0663E+00 5.0963E+00 O6 2305 15.999400 -0.847600 6.1025E+00 5.3627E+00 2.0977E+00 H1 2306 1.008000 0.423800 5.2975E+00 4.7958E+00 1.9232E+00 H2 2307 1.008000 0.423800 6.5550E+00 5.0509E+00 2.9331E+00 O6 2308 15.999400 -0.847600 -1.0124E+01 1.4295E+01 -1.8854E+01 H1 2309 1.008000 0.423800 -1.0893E+01 1.4015E+01 -1.8278E+01 H2 2310 1.008000 0.423800 -1.0459E+01 1.4525E+01 1.9330E+01 O6 2311 15.999400 -0.847600 7.9042E+00 -1.0512E+01 -6.2175E+00 H1 2312 1.008000 0.423800 8.5434E+00 -9.7703E+00 -6.4222E+00 H2 2313 1.008000 0.423800 7.2467E+00 -1.0601E+01 -6.9656E+00 O6 2314 15.999400 -0.847600 -1.2060E+01 -1.3236E-01 9.5080E+00 H1 2315 1.008000 0.423800 -1.1770E+01 5.2787E-02 1.0447E+01 H2 2316 1.008000 0.423800 -1.1292E+01 1.7716E-02 8.8859E+00 O6 2317 15.999400 -0.847600 -6.5218E+00 -1.1963E+01 1.6383E+00 H1 2318 1.008000 0.423800 -6.9766E+00 -1.1443E+01 9.1501E-01 H2 2319 1.008000 0.423800 -6.9471E+00 -1.1752E+01 2.5183E+00 O6 2320 15.999400 -0.847600 -6.3683E+00 -3.5403E+00 1.4637E+01 H1 2321 1.008000 0.423800 -7.0897E+00 -4.0079E+00 1.5148E+01 H2 2322 1.008000 0.423800 -5.9982E+00 -4.1572E+00 1.3942E+01 O6 2323 15.999400 -0.847600 1.1569E+01 1.9197E+00 -1.4677E+01 H1 2324 1.008000 0.423800 1.0649E+01 1.6119E+00 -1.4920E+01 H2 2325 1.008000 0.423800 1.1750E+01 2.8038E+00 -1.5108E+01 O6 2326 15.999400 -0.847600 -4.8883E-01 1.8614E+01 3.4116E+00 H1 2327 1.008000 0.423800 -1.1157E+00 1.8440E+01 2.6523E+00 H2 2328 1.008000 0.423800 3.3336E-01 1.9068E+01 3.0673E+00 O6 2329 15.999400 -0.847600 -2.6497E+00 3.5586E+00 1.5369E+01 H1 2330 1.008000 0.423800 -2.8580E+00 3.0867E+00 1.6226E+01 H2 2331 1.008000 0.423800 -2.8869E+00 2.9684E+00 1.4597E+01 O6 2332 15.999400 -0.847600 -1.6935E+01 -7.1439E+00 -1.9012E+00 H1 2333 1.008000 0.423800 -1.6622E+01 -7.0128E+00 -9.6076E-01 H2 2334 1.008000 0.423800 -1.6215E+01 -6.8618E+00 -2.5351E+00 O6 2335 15.999400 -0.847600 -6.1804E+00 2.4558E+00 4.7009E+00 H1 2336 1.008000 0.423800 -5.8620E+00 2.6201E+00 3.7673E+00 H2 2337 1.008000 0.423800 -5.8956E+00 1.5433E+00 4.9944E+00 O6 2338 15.999400 -0.847600 6.3403E+00 1.1505E+01 -1.6200E+01 H1 2339 1.008000 0.423800 6.4651E+00 1.0848E+01 -1.6943E+01 H2 2340 1.008000 0.423800 6.3247E+00 1.2432E+01 -1.6575E+01 O6 2341 15.999400 -0.847600 -1.7401E+01 -4.3511E+00 1.0720E+01 H1 2342 1.008000 0.423800 -1.8092E+01 -4.6966E+00 1.0085E+01 H2 2343 1.008000 0.423800 -1.6715E+01 -3.8282E+00 1.0214E+01 O6 2344 15.999400 -0.847600 -1.7886E+01 1.6000E+01 1.9004E+01 H1 2345 1.008000 0.423800 -1.7056E+01 1.5977E+01 1.8447E+01 H2 2346 1.008000 0.423800 -1.8576E+01 1.6565E+01 1.8550E+01 O6 2347 15.999400 -0.847600 -1.5835E+01 -9.8186E+00 -7.0572E+00 H1 2348 1.008000 0.423800 -1.6225E+01 -1.0564E+01 -7.5986E+00 H2 2349 1.008000 0.423800 -1.6512E+01 -9.0904E+00 -6.9556E+00 O6 2350 15.999400 -0.847600 -1.4645E+01 2.9420E+00 6.1272E+00 H1 2351 1.008000 0.423800 -1.4876E+01 3.7302E+00 6.6978E+00 H2 2352 1.008000 0.423800 -1.4594E+01 3.2270E+00 5.1701E+00 O6 2353 15.999400 -0.847600 1.6290E+01 -4.9817E+00 -1.3751E+01 H1 2354 1.008000 0.423800 1.5878E+01 -4.0710E+00 -1.3726E+01 H2 2355 1.008000 0.423800 1.5975E+01 -5.4680E+00 -1.4565E+01 O6 2356 15.999400 -0.847600 -8.5833E-01 -8.1927E+00 -7.8015E+00 H1 2357 1.008000 0.423800 -1.0359E+00 -8.5553E+00 -8.7164E+00 H2 2358 1.008000 0.423800 -8.3590E-01 -7.1936E+00 -7.8375E+00 O6 2359 15.999400 -0.847600 -1.7744E+01 1.4205E+01 1.1629E+01 H1 2360 1.008000 0.423800 -1.7196E+01 1.3398E+01 1.1406E+01 H2 2361 1.008000 0.423800 -1.7405E+01 1.4990E+01 1.1111E+01 O6 2362 15.999400 -0.847600 -4.7187E+00 1.6467E+01 4.2154E-01 H1 2363 1.008000 0.423800 -5.0169E+00 1.7344E+01 4.5014E-02 H2 2364 1.008000 0.423800 -3.7749E+00 1.6545E+01 7.4243E-01 O6 2365 15.999400 -0.847600 1.8248E+01 3.3211E+00 -1.4017E+01 H1 2366 1.008000 0.423800 1.8980E+01 2.8529E+00 -1.4512E+01 H2 2367 1.008000 0.423800 1.8436E+01 3.2879E+00 -1.3035E+01 O6 2368 15.999400 -0.847600 2.9746E+00 -1.5167E+01 7.1115E+00 H1 2369 1.008000 0.423800 2.4657E+00 -1.4322E+01 6.9490E+00 H2 2370 1.008000 0.423800 2.3534E+00 -1.5948E+01 7.0455E+00 O6 2371 15.999400 -0.847600 -6.6898E+00 1.0207E+01 1.6564E+01 H1 2372 1.008000 0.423800 -6.2717E+00 9.4951E+00 1.6000E+01 H2 2373 1.008000 0.423800 -7.3392E+00 9.7901E+00 1.7200E+01 O6 2374 15.999400 -0.847600 -3.2595E+00 -5.0897E-01 4.7256E+00 H1 2375 1.008000 0.423800 -4.0662E+00 -1.1486E-01 5.1661E+00 H2 2376 1.008000 0.423800 -3.4280E+00 -6.0287E-01 3.7444E+00 O6 2377 15.999400 -0.847600 -5.1727E+00 1.6597E+01 1.4362E+01 H1 2378 1.008000 0.423800 -5.3068E+00 1.5910E+01 1.3648E+01 H2 2379 1.008000 0.423800 -5.7367E+00 1.7399E+01 1.4164E+01 O6 2380 15.999400 -0.847600 -1.0807E+01 -1.6755E+01 1.6287E+01 H1 2381 1.008000 0.423800 -1.0027E+01 -1.6147E+01 1.6141E+01 H2 2382 1.008000 0.423800 -1.1205E+01 -1.6577E+01 1.7187E+01 O6 2383 15.999400 -0.847600 1.3270E+01 1.9168E+01 8.6719E+00 H1 2384 1.008000 0.423800 1.4092E+01 -1.9494E+01 8.3062E+00 H2 2385 1.008000 0.423800 1.2951E+01 1.8468E+01 8.0325E+00 O6 2386 15.999400 -0.847600 1.0918E+01 3.9125E+00 1.1781E+01 H1 2387 1.008000 0.423800 1.1058E+01 4.7710E+00 1.1288E+01 H2 2388 1.008000 0.423800 1.0711E+01 4.1087E+00 1.2740E+01 O6 2389 15.999400 -0.847600 -1.5524E+01 -1.9456E+01 -1.4420E+00 H1 2390 1.008000 0.423800 -1.5565E+01 1.8723E+01 -1.0472E+00 H2 2391 1.008000 0.423800 -1.4620E+01 -1.9307E+01 -1.8431E+00 O6 2392 15.999400 -0.847600 5.8970E+00 1.7832E+00 -5.3139E+00 H1 2393 1.008000 0.423800 6.4402E+00 2.6149E+00 -5.1983E+00 H2 2394 1.008000 0.423800 4.9286E+00 1.9972E+00 -5.1860E+00 O6 2395 15.999400 -0.847600 8.4435E+00 1.5399E+00 -2.9817E+00 H1 2396 1.008000 0.423800 9.2581E+00 2.1019E+00 -2.8378E+00 H2 2397 1.008000 0.423800 7.8037E+00 1.6809E+00 -2.2262E+00 O6 2398 15.999400 -0.847600 -1.6297E+01 7.5711E+00 -5.7135E+00 H1 2399 1.008000 0.423800 -1.5961E+01 8.1152E+00 -4.9447E+00 H2 2400 1.008000 0.423800 -1.5913E+01 7.9255E+00 -6.5659E+00 O6 2401 15.999400 -0.847600 -1.1574E+01 1.0430E+00 -2.8274E+00 H1 2402 1.008000 0.423800 -1.1103E+01 1.8379E+00 -3.2101E+00 H2 2403 1.008000 0.423800 -1.2279E+01 1.3494E+00 -2.1880E+00 O6 2404 15.999400 -0.847600 -1.4544E+01 3.7409E+00 3.4157E+00 H1 2405 1.008000 0.423800 -1.5099E+01 4.5708E+00 3.4701E+00 H2 2406 1.008000 0.423800 -1.3699E+01 3.9372E+00 2.9173E+00 O6 2407 15.999400 -0.847600 -1.5731E+01 8.2050E+00 -1.6373E+01 H1 2408 1.008000 0.423800 -1.6392E+01 8.8049E+00 -1.6822E+01 H2 2409 1.008000 0.423800 -1.4878E+01 8.1987E+00 -1.6895E+01 O6 2410 15.999400 -0.847600 -8.7006E+00 3.3818E-01 -9.5397E+00 H1 2411 1.008000 0.423800 -8.7685E+00 -8.0285E-02 -1.0445E+01 H2 2412 1.008000 0.423800 -7.7378E+00 4.2274E-01 -9.2830E+00 O6 2413 15.999400 -0.847600 -1.8074E+01 1.0523E+01 1.2397E+01 H1 2414 1.008000 0.423800 -1.8715E+01 1.1202E+01 1.2755E+01 H2 2415 1.008000 0.423800 -1.7517E+01 1.0162E+01 1.3145E+01 O6 2416 15.999400 -0.847600 3.6634E+00 -9.8543E+00 5.0104E+00 H1 2417 1.008000 0.423800 2.9092E+00 -1.0237E+01 4.4765E+00 H2 2418 1.008000 0.423800 4.2592E+00 -1.0594E+01 5.3228E+00 O6 2419 15.999400 -0.847600 1.2499E+01 -5.2688E+00 6.3883E-02 H1 2420 1.008000 0.423800 1.2908E+01 -5.8824E+00 -6.1135E-01 H2 2421 1.008000 0.423800 1.2918E+01 -5.4298E+00 9.5757E-01 O6 2422 15.999400 -0.847600 -1.0308E+01 -1.3334E+01 7.1328E+00 H1 2423 1.008000 0.423800 -1.0574E+01 -1.3753E+01 8.0009E+00 H2 2424 1.008000 0.423800 -1.0116E+01 -1.2363E+01 7.2762E+00 O6 2425 15.999400 -0.847600 -1.5243E+01 5.5604E+00 -8.1977E+00 H1 2426 1.008000 0.423800 -1.4885E+01 6.0337E+00 -7.3932E+00 H2 2427 1.008000 0.423800 -1.4483E+01 5.2523E+00 -8.7697E+00 O6 2428 15.999400 -0.847600 1.7099E+01 -1.4381E+01 7.4674E+00 H1 2429 1.008000 0.423800 1.6793E+01 -1.3430E+01 7.5075E+00 H2 2430 1.008000 0.423800 1.8055E+01 -1.4436E+01 7.7555E+00 O6 2431 15.999400 -0.847600 1.8411E+01 1.0109E+01 -1.3410E+00 H1 2432 1.008000 0.423800 1.9311E+01 9.7723E+00 -1.6156E+00 H2 2433 1.008000 0.423800 1.8480E+01 1.1073E+01 -1.0831E+00 O6 2434 15.999400 -0.847600 1.5342E+01 -7.9209E+00 2.5157E+00 H1 2435 1.008000 0.423800 1.5375E+01 -8.5208E+00 3.3151E+00 H2 2436 1.008000 0.423800 1.4799E+01 -7.1092E+00 2.7305E+00 O6 2437 15.999400 -0.847600 -1.4277E+01 -1.2762E+01 -1.8683E+01 H1 2438 1.008000 0.423800 -1.4636E+01 -1.3549E+01 -1.8181E+01 H2 2439 1.008000 0.423800 -1.4690E+01 -1.2732E+01 1.9504E+01 O6 2440 15.999400 -0.847600 -1.8948E+01 -2.2449E+00 1.7098E+01 H1 2441 1.008000 0.423800 -1.8405E+01 -1.8133E+00 1.6378E+01 H2 2442 1.008000 0.423800 1.9178E+01 -2.0788E+00 1.6929E+01 O6 2443 15.999400 -0.847600 4.0946E+00 8.1577E+00 1.7617E+01 H1 2444 1.008000 0.423800 3.1491E+00 8.2194E+00 1.7298E+01 H2 2445 1.008000 0.423800 4.5595E+00 7.4115E+00 1.7141E+01 O6 2446 15.999400 -0.847600 1.4948E+01 5.7402E-02 1.4778E+01 H1 2447 1.008000 0.423800 1.5753E+01 1.2788E-01 1.5367E+01 H2 2448 1.008000 0.423800 1.4581E+01 9.7142E-01 1.4604E+01 O6 2449 15.999400 -0.847600 -1.5735E+01 -1.7859E+01 -1.7008E+01 H1 2450 1.008000 0.423800 -1.5763E+01 -1.8651E+01 -1.7618E+01 H2 2451 1.008000 0.423800 -1.5426E+01 -1.8147E+01 -1.6102E+01 O6 2452 15.999400 -0.847600 1.3365E+01 6.0857E+00 -6.8683E+00 H1 2453 1.008000 0.423800 1.2988E+01 5.2502E+00 -7.2683E+00 H2 2454 1.008000 0.423800 1.3084E+01 6.1527E+00 -5.9109E+00 O6 2455 15.999400 -0.847600 -7.7769E+00 7.7945E+00 -1.4052E+01 H1 2456 1.008000 0.423800 -8.3056E+00 8.5972E+00 -1.4328E+01 H2 2457 1.008000 0.423800 -7.0073E+00 8.0822E+00 -1.3482E+01 O6 2458 15.999400 -0.847600 5.9593E+00 -1.6288E+01 1.0785E+01 H1 2459 1.008000 0.423800 6.6672E+00 -1.6753E+01 1.1317E+01 H2 2460 1.008000 0.423800 6.0619E+00 -1.5298E+01 1.0886E+01 O6 2461 15.999400 -0.847600 -1.3522E+01 4.1509E+00 -1.6899E+01 H1 2462 1.008000 0.423800 -1.2672E+01 4.5953E+00 -1.6617E+01 H2 2463 1.008000 0.423800 -1.3522E+01 3.2012E+00 -1.6585E+01 O6 2464 15.999400 -0.847600 1.7454E+01 -1.8155E+01 -4.3233E+00 H1 2465 1.008000 0.423800 1.7173E+01 -1.7199E+01 -4.4091E+00 H2 2466 1.008000 0.423800 1.8223E+01 -1.8220E+01 -3.6868E+00 O6 2467 15.999400 -0.847600 -1.5999E+01 1.8625E+01 -1.8329E+01 H1 2468 1.008000 0.423800 -1.6938E+01 1.8312E+01 -1.8469E+01 H2 2469 1.008000 0.423800 -1.5451E+01 1.7879E+01 -1.7952E+01 O6 2470 15.999400 -0.847600 1.8052E+01 7.9373E+00 2.0708E-01 H1 2471 1.008000 0.423800 1.8313E+01 8.5949E+00 -4.9967E-01 H2 2472 1.008000 0.423800 1.7603E+01 7.1516E+00 -2.1830E-01 O6 2473 15.999400 -0.847600 -3.0470E+00 1.6088E+01 -7.4734E+00 H1 2474 1.008000 0.423800 -2.7804E+00 1.5199E+01 -7.8465E+00 H2 2475 1.008000 0.423800 -2.3268E+00 1.6424E+01 -6.8666E+00 O6 2476 15.999400 -0.847600 -4.9775E+00 -7.3025E+00 -2.6931E+00 H1 2477 1.008000 0.423800 -4.4577E+00 -6.6271E+00 -3.2163E+00 H2 2478 1.008000 0.423800 -5.5811E+00 -7.8085E+00 -3.3092E+00 O6 2479 15.999400 -0.847600 1.6682E+00 1.5673E+01 1.4923E+01 H1 2480 1.008000 0.423800 9.9862E-01 1.4991E+01 1.4628E+01 H2 2481 1.008000 0.423800 1.4600E+00 1.6551E+01 1.4493E+01 O6 2482 15.999400 -0.847600 -1.1476E+01 1.4876E+01 -8.0624E+00 H1 2483 1.008000 0.423800 -1.2397E+01 1.5209E+01 -7.8601E+00 H2 2484 1.008000 0.423800 -1.1324E+01 1.4895E+01 -9.0505E+00 O6 2485 15.999400 -0.847600 1.7227E+01 1.3769E+01 -1.5484E+01 H1 2486 1.008000 0.423800 1.6993E+01 1.2941E+01 -1.5993E+01 H2 2487 1.008000 0.423800 1.8181E+01 1.3722E+01 -1.5190E+01 O6 2488 15.999400 -0.847600 -3.9268E+00 -1.2168E+01 9.4404E-01 H1 2489 1.008000 0.423800 -4.9076E+00 -1.2230E+01 1.1288E+00 H2 2490 1.008000 0.423800 -3.5736E+00 -1.1305E+01 1.3055E+00 O6 2491 15.999400 -0.847600 -6.7054E+00 5.9096E+00 -5.7368E+00 H1 2492 1.008000 0.423800 -7.2075E+00 6.7717E+00 -5.6679E+00 H2 2493 1.008000 0.423800 -6.7339E+00 5.5818E+00 -6.6811E+00 O6 2494 15.999400 -0.847600 3.3200E+00 -1.5588E+01 -8.1075E+00 H1 2495 1.008000 0.423800 3.3215E+00 -1.5932E+01 -7.1686E+00 H2 2496 1.008000 0.423800 4.2069E+00 -1.5772E+01 -8.5312E+00 O6 2497 15.999400 -0.847600 -9.6583E+00 -5.6677E+00 1.0754E+01 H1 2498 1.008000 0.423800 -8.8440E+00 -5.1736E+00 1.1059E+01 H2 2499 1.008000 0.423800 -9.4230E+00 -6.6243E+00 1.0583E+01 O6 2500 15.999400 -0.847600 -1.0287E+00 3.1200E+00 1.1799E+01 H1 2501 1.008000 0.423800 -1.7479E+00 2.6184E+00 1.2280E+01 H2 2502 1.008000 0.423800 -5.7329E-01 3.7420E+00 1.2436E+01 O6 2503 15.999400 -0.847600 -1.0614E+00 -7.0965E+00 -1.0761E+01 H1 2504 1.008000 0.423800 -8.7753E-01 -7.4193E+00 -1.1689E+01 H2 2505 1.008000 0.423800 -4.2884E-01 -6.3558E+00 -1.0534E+01 O6 2506 15.999400 -0.847600 -2.2877E+00 4.6119E+00 1.9076E+00 H1 2507 1.008000 0.423800 -2.8971E+00 4.2536E+00 1.2003E+00 H2 2508 1.008000 0.423800 -2.1998E+00 3.9403E+00 2.6432E+00 O6 2509 15.999400 -0.847600 1.6921E+01 -1.3741E+01 1.7165E+01 H1 2510 1.008000 0.423800 1.7789E+01 -1.3352E+01 1.6855E+01 H2 2511 1.008000 0.423800 1.6264E+01 -1.3733E+01 1.6411E+01 O6 2512 15.999400 -0.847600 -1.1821E+00 -1.9429E+01 1.8623E+01 H1 2513 1.008000 0.423800 -1.6569E+00 1.8973E+01 1.8083E+01 H2 2514 1.008000 0.423800 -1.8517E+00 -1.8806E+01 1.9027E+01 O6 2515 15.999400 -0.847600 1.0053E+00 -1.4755E+01 -4.7066E+00 H1 2516 1.008000 0.423800 1.6391E+00 -1.5165E+01 -5.3625E+00 H2 2517 1.008000 0.423800 1.2344E-01 -1.5223E+01 -4.7578E+00 O6 2518 15.999400 -0.847600 1.0522E+01 -6.7398E+00 -2.8877E+00 H1 2519 1.008000 0.423800 1.1439E+01 -6.6879E+00 -2.4925E+00 H2 2520 1.008000 0.423800 9.9745E+00 -7.3994E+00 -2.3731E+00 O6 2521 15.999400 -0.847600 -1.1415E+01 -1.7420E+01 5.8550E+00 H1 2522 1.008000 0.423800 -1.1498E+01 -1.6471E+01 5.5505E+00 H2 2523 1.008000 0.423800 -1.1759E+01 -1.8031E+01 5.1418E+00 O6 2524 15.999400 -0.847600 1.5165E+01 -6.6572E+00 -7.1051E+00 H1 2525 1.008000 0.423800 1.5462E+01 -6.0231E+00 -7.8190E+00 H2 2526 1.008000 0.423800 1.4624E+01 -6.1630E+00 -6.4244E+00 O6 2527 15.999400 -0.847600 -1.7452E+01 -1.5441E+00 -1.5271E+00 H1 2528 1.008000 0.423800 -1.8103E+01 -2.1067E+00 -1.0172E+00 H2 2529 1.008000 0.423800 -1.6774E+01 -2.1337E+00 -1.9652E+00 O6 2530 15.999400 -0.847600 8.1014E+00 -4.5145E+00 1.0946E+00 H1 2531 1.008000 0.423800 8.6581E+00 -4.5192E+00 2.6386E-01 H2 2532 1.008000 0.423800 8.0787E+00 -5.4346E+00 1.4857E+00 O6 2533 15.999400 -0.847600 -2.1151E-01 1.4171E+01 1.3399E+01 H1 2534 1.008000 0.423800 -7.9618E-01 1.4963E+01 1.3224E+01 H2 2535 1.008000 0.423800 -3.1108E-01 1.3513E+01 1.2652E+01 O6 2536 15.999400 -0.847600 -1.8777E+00 3.3824E-01 1.5948E+01 H1 2537 1.008000 0.423800 -2.4472E+00 -4.8299E-01 1.5983E+01 H2 2538 1.008000 0.423800 -2.4199E+00 1.1320E+00 1.6223E+01 O6 2539 15.999400 -0.847600 1.4026E+01 1.3159E+01 1.4160E+01 H1 2540 1.008000 0.423800 1.3333E+01 1.3856E+01 1.4344E+01 H2 2541 1.008000 0.423800 1.3818E+01 1.2335E+01 1.4688E+01 O6 2542 15.999400 -0.847600 1.9249E+01 6.8488E+00 2.4947E+00 H1 2543 1.008000 0.423800 -1.9512E+01 7.5753E+00 3.0936E+00 H2 2544 1.008000 0.423800 1.8698E+01 7.2492E+00 1.7623E+00 O6 2545 15.999400 -0.847600 -4.4382E+00 -1.5495E+01 -8.6193E+00 H1 2546 1.008000 0.423800 -4.3508E+00 -1.5532E+01 -9.6148E+00 H2 2547 1.008000 0.423800 -3.9934E+00 -1.4667E+01 -8.2762E+00 O6 2548 15.999400 -0.847600 -1.6394E+01 -1.9463E+01 -5.2502E+00 H1 2549 1.008000 0.423800 -1.5713E+01 1.8904E+01 -5.2849E+00 H2 2550 1.008000 0.423800 -1.6879E+01 -1.9500E+01 -4.3762E+00 O6 2551 15.999400 -0.847600 1.1822E+01 -2.1225E+00 1.0882E+01 H1 2552 1.008000 0.423800 1.2483E+01 -1.9735E+00 1.1618E+01 H2 2553 1.008000 0.423800 1.2218E+01 -1.8232E+00 1.0013E+01 O6 2554 15.999400 -0.847600 -2.8739E+00 -8.9399E+00 1.0026E+01 H1 2555 1.008000 0.423800 -3.8349E+00 -9.1675E+00 9.8690E+00 H2 2556 1.008000 0.423800 -2.4793E+00 -8.5645E+00 9.1871E+00 O6 2557 15.999400 -0.847600 -1.8445E+01 -1.3625E+01 -1.8564E+01 H1 2558 1.008000 0.423800 -1.9351E+01 -1.3910E+01 -1.8877E+01 H2 2559 1.008000 0.423800 -1.8018E+01 -1.4372E+01 -1.8054E+01 O6 2560 15.999400 -0.847600 3.1817E+00 -1.8609E+01 -4.3379E+00 H1 2561 1.008000 0.423800 3.0969E+00 -1.8293E+01 -3.3931E+00 H2 2562 1.008000 0.423800 2.3194E+00 -1.9024E+01 -4.6293E+00 O6 2563 15.999400 -0.847600 -4.9752E+00 -1.7701E+01 1.3611E+01 H1 2564 1.008000 0.423800 -5.5995E+00 -1.7293E+01 1.2944E+01 H2 2565 1.008000 0.423800 -4.0779E+00 -1.7833E+01 1.3190E+01 O6 2566 15.999400 -0.847600 2.9774E+00 -9.2350E+00 1.8710E-02 H1 2567 1.008000 0.423800 3.1595E+00 -1.0190E+01 -2.1491E-01 H2 2568 1.008000 0.423800 2.4437E+00 -8.8091E+00 -7.1186E-01 O6 2569 15.999400 -0.847600 -1.2841E+00 1.1813E+01 -9.5959E+00 H1 2570 1.008000 0.423800 -5.2917E-01 1.2413E+01 -9.3318E+00 H2 2571 1.008000 0.423800 -9.3441E-01 1.1067E+01 -1.0164E+01 O6 2572 15.999400 -0.847600 7.1497E+00 -1.0188E+01 1.2806E+01 H1 2573 1.008000 0.423800 6.4871E+00 -9.6256E+00 1.3300E+01 H2 2574 1.008000 0.423800 7.2313E+00 -1.1078E+01 1.3253E+01 O6 2575 15.999400 -0.847600 -1.7774E+01 -2.5170E+00 3.2031E+00 H1 2576 1.008000 0.423800 -1.6966E+01 -2.0553E+00 2.8383E+00 H2 2577 1.008000 0.423800 -1.7708E+01 -2.5666E+00 4.1997E+00 O6 2578 15.999400 -0.847600 -1.3452E+01 5.7222E+00 -1.9050E+01 H1 2579 1.008000 0.423800 -1.3469E+01 5.0123E+00 -1.8345E+01 H2 2580 1.008000 0.423800 -1.2906E+01 5.4080E+00 1.9272E+01 O6 2581 15.999400 -0.847600 9.7652E+00 7.2667E+00 1.8341E+01 H1 2582 1.008000 0.423800 9.7175E+00 7.9384E+00 1.7602E+01 H2 2583 1.008000 0.423800 1.0003E+01 6.3719E+00 1.7963E+01 O6 2584 15.999400 -0.847600 -1.6661E+01 2.1976E+00 1.5480E+01 H1 2585 1.008000 0.423800 -1.6110E+01 2.7329E+00 1.4840E+01 H2 2586 1.008000 0.423800 -1.7214E+01 1.5364E+00 1.4973E+01 O6 2587 15.999400 -0.847600 -1.7546E+01 -3.0319E+00 1.2926E+01 H1 2588 1.008000 0.423800 -1.7318E+01 -3.5506E+00 1.2102E+01 H2 2589 1.008000 0.423800 -1.7548E+01 -3.6451E+00 1.3716E+01 O6 2590 15.999400 -0.847600 -1.2952E+01 9.5235E+00 1.9247E+01 H1 2591 1.008000 0.423800 -1.3146E+01 8.8323E+00 -1.9155E+01 H2 2592 1.008000 0.423800 -1.1982E+01 9.7637E+00 1.9277E+01 O6 2593 15.999400 -0.847600 -4.0120E+00 1.2430E+01 7.9307E+00 H1 2594 1.008000 0.423800 -3.6646E+00 1.2802E+01 8.7919E+00 H2 2595 1.008000 0.423800 -4.4016E+00 1.1524E+01 8.0916E+00 O6 2596 15.999400 -0.847600 -5.4266E+00 -1.4566E+00 7.7122E+00 H1 2597 1.008000 0.423800 -5.3630E+00 -1.1066E+00 8.6468E+00 H2 2598 1.008000 0.423800 -5.3417E+00 -2.4529E+00 7.7229E+00 O6 2599 15.999400 -0.847600 1.3591E+01 5.9595E+00 -5.3685E-02 H1 2600 1.008000 0.423800 1.3565E+01 6.3041E+00 8.8473E-01 H2 2601 1.008000 0.423800 1.2759E+01 6.2355E+00 -5.3353E-01 O6 2602 15.999400 -0.847600 -4.1242E+00 -1.8027E+01 1.0357E+01 H1 2603 1.008000 0.423800 -3.7787E+00 -1.8938E+01 1.0581E+01 H2 2604 1.008000 0.423800 -5.1176E+00 -1.8064E+01 1.0250E+01 O6 2605 15.999400 -0.847600 -1.6273E+01 1.6665E+01 -9.6531E+00 H1 2606 1.008000 0.423800 -1.6845E+01 1.7161E+01 -1.0306E+01 H2 2607 1.008000 0.423800 -1.5794E+01 1.7319E+01 -9.0664E+00 O6 2608 15.999400 -0.847600 -1.4161E+01 3.4982E+00 1.4322E+01 H1 2609 1.008000 0.423800 -1.4287E+01 3.0637E+00 1.3430E+01 H2 2610 1.008000 0.423800 -1.3677E+01 2.8712E+00 1.4933E+01 O6 2611 15.999400 -0.847600 4.0693E+00 6.5038E+00 -6.4329E+00 H1 2612 1.008000 0.423800 3.4341E+00 5.7417E+00 -6.5588E+00 H2 2613 1.008000 0.423800 4.2482E+00 6.9377E+00 -7.3159E+00 O6 2614 15.999400 -0.847600 8.9146E+00 -3.6659E+00 -1.6641E+01 H1 2615 1.008000 0.423800 9.0571E+00 -2.8147E+00 -1.6136E+01 H2 2616 1.008000 0.423800 9.1031E+00 -4.4443E+00 -1.6042E+01 O6 2617 15.999400 -0.847600 -2.9017E+00 1.5441E+01 -1.3200E+01 H1 2618 1.008000 0.423800 -2.7988E+00 1.6068E+01 -1.2427E+01 H2 2619 1.008000 0.423800 -2.0415E+00 1.5393E+01 -1.3707E+01 O6 2620 15.999400 -0.847600 -2.0157E+00 1.1452E+01 5.9801E+00 H1 2621 1.008000 0.423800 -2.5913E+00 1.1442E+01 5.1625E+00 H2 2622 1.008000 0.423800 -2.4913E+00 1.1933E+01 6.7165E+00 O6 2623 15.999400 -0.847600 7.0459E+00 -1.9153E+01 2.3853E-01 H1 2624 1.008000 0.423800 7.6916E+00 1.9533E+01 8.8166E-01 H2 2625 1.008000 0.423800 7.3267E+00 -1.9365E+01 -6.9745E-01 O6 2626 15.999400 -0.847600 4.1828E+00 1.5723E+01 -1.6163E+01 H1 2627 1.008000 0.423800 4.5534E+00 1.6600E+01 -1.5856E+01 H2 2628 1.008000 0.423800 4.8661E+00 1.5249E+01 -1.6718E+01 O6 2629 15.999400 -0.847600 -1.7516E+01 -7.0844E+00 -1.4870E+01 H1 2630 1.008000 0.423800 -1.8371E+01 -7.0119E+00 -1.4356E+01 H2 2631 1.008000 0.423800 -1.6752E+01 -7.1824E+00 -1.4233E+01 O6 2632 15.999400 -0.847600 -6.0622E+00 -8.5071E-01 1.3466E+01 H1 2633 1.008000 0.423800 -5.0924E+00 -6.0645E-01 1.3463E+01 H2 2634 1.008000 0.423800 -6.1954E+00 -1.6785E+00 1.4011E+01 O6 2635 15.999400 -0.847600 3.2566E+00 1.8383E+01 -8.5806E+00 H1 2636 1.008000 0.423800 3.7960E+00 1.7556E+01 -8.4235E+00 H2 2637 1.008000 0.423800 2.2830E+00 1.8157E+01 -8.5484E+00 O6 2638 15.999400 -0.847600 -1.0043E+00 9.7521E+00 -1.1097E+01 H1 2639 1.008000 0.423800 -1.8656E+00 1.0028E+01 -1.1523E+01 H2 2640 1.008000 0.423800 -1.0609E+00 8.7925E+00 -1.0821E+01 O6 2641 15.999400 -0.847600 4.8006E+00 9.8816E+00 -2.3413E-01 H1 2642 1.008000 0.423800 5.6438E+00 1.0384E+01 -4.2853E-02 H2 2643 1.008000 0.423800 4.8584E+00 9.4670E+00 -1.1423E+00 O6 2644 15.999400 -0.847600 -4.9093E+00 -1.1970E+01 1.9185E+01 H1 2645 1.008000 0.423800 -5.3762E+00 -1.2840E+01 1.9030E+01 H2 2646 1.008000 0.423800 -3.9211E+00 -1.2104E+01 1.9111E+01 O6 2647 15.999400 -0.847600 1.8530E+01 3.1128E+00 -1.7910E+01 H1 2648 1.008000 0.423800 1.9200E+01 3.5963E+00 -1.7346E+01 H2 2649 1.008000 0.423800 1.7642E+01 3.1185E+00 -1.7450E+01 O6 2650 15.999400 -0.847600 -2.5867E+00 6.0367E+00 1.6911E+01 H1 2651 1.008000 0.423800 -3.0036E+00 6.7455E+00 1.6342E+01 H2 2652 1.008000 0.423800 -2.4998E+00 5.1928E+00 1.6382E+01 O6 2653 15.999400 -0.847600 -7.2634E+00 1.4580E+00 -1.6704E+01 H1 2654 1.008000 0.423800 -6.5596E+00 8.2498E-01 -1.7026E+01 H2 2655 1.008000 0.423800 -8.0015E+00 9.4236E-01 -1.6269E+01 O6 2656 15.999400 -0.847600 -8.6617E+00 6.3588E+00 6.1190E+00 H1 2657 1.008000 0.423800 -8.9783E+00 5.5325E+00 6.5849E+00 H2 2658 1.008000 0.423800 -7.9329E+00 6.1208E+00 5.4770E+00 O6 2659 15.999400 -0.847600 1.2671E+01 1.2647E+01 -4.5801E+00 H1 2660 1.008000 0.423800 1.2983E+01 1.1913E+01 -3.9764E+00 H2 2661 1.008000 0.423800 1.1760E+01 1.2947E+01 -4.2971E+00 O6 2662 15.999400 -0.847600 1.6967E+01 9.5396E+00 1.3750E+01 H1 2663 1.008000 0.423800 1.6832E+01 9.2481E+00 1.4697E+01 H2 2664 1.008000 0.423800 1.7883E+01 9.2739E+00 1.3448E+01 O6 2665 15.999400 -0.847600 -7.9266E+00 3.1270E+00 -1.2603E+01 H1 2666 1.008000 0.423800 -7.0559E+00 3.2889E+00 -1.2139E+01 H2 2667 1.008000 0.423800 -8.6319E+00 2.9186E+00 -1.1926E+01 O6 2668 15.999400 -0.847600 -1.9222E+01 1.3182E+01 -1.4817E+01 H1 2669 1.008000 0.423800 -1.8630E+01 1.3265E+01 -1.5619E+01 H2 2670 1.008000 0.423800 -1.8988E+01 1.2349E+01 -1.4315E+01 O6 2671 15.999400 -0.847600 1.5574E+01 5.2468E+00 1.9027E+01 H1 2672 1.008000 0.423800 1.6151E+01 5.9753E+00 1.9396E+01 H2 2673 1.008000 0.423800 1.6137E+01 4.6106E+00 1.8499E+01 O6 2674 15.999400 -0.847600 -1.4424E+01 -1.3737E+01 -1.0110E+01 H1 2675 1.008000 0.423800 -1.4274E+01 -1.2854E+01 -9.6648E+00 H2 2676 1.008000 0.423800 -1.3553E+01 -1.4222E+01 -1.0190E+01 O6 2677 15.999400 -0.847600 -2.6222E+00 4.9436E+00 -6.9738E+00 H1 2678 1.008000 0.423800 -3.4339E+00 5.1415E+00 -7.5233E+00 H2 2679 1.008000 0.423800 -2.2293E+00 5.8002E+00 -6.6392E+00 O6 2680 15.999400 -0.847600 -1.6318E+01 -1.1557E+01 5.1780E+00 H1 2681 1.008000 0.423800 -1.5479E+01 -1.1026E+01 5.0586E+00 H2 2682 1.008000 0.423800 -1.6275E+01 -1.2379E+01 4.6105E+00 O6 2683 15.999400 -0.847600 1.0116E+01 8.9565E+00 -1.8584E+01 H1 2684 1.008000 0.423800 1.0713E+01 8.4272E+00 -1.7982E+01 H2 2685 1.008000 0.423800 9.8817E+00 8.4082E+00 -1.9387E+01 O6 2686 15.999400 -0.847600 -3.7296E+00 4.3226E+00 -1.4380E+01 H1 2687 1.008000 0.423800 -4.5067E+00 3.7105E+00 -1.4234E+01 H2 2688 1.008000 0.423800 -2.8858E+00 3.8616E+00 -1.4106E+01 O6 2689 15.999400 -0.847600 -1.6649E+01 -1.4949E+01 -2.5220E+00 H1 2690 1.008000 0.423800 -1.5814E+01 -1.5369E+01 -2.8775E+00 H2 2691 1.008000 0.423800 -1.7148E+01 -1.5615E+01 -1.9676E+00 O6 2692 15.999400 -0.847600 1.2842E+01 -1.0552E+01 5.5841E+00 H1 2693 1.008000 0.423800 1.2251E+01 -9.8209E+00 5.9249E+00 H2 2694 1.008000 0.423800 1.2564E+01 -1.1422E+01 5.9913E+00 O6 2695 15.999400 -0.847600 -6.8932E-01 -1.0796E+01 -9.5588E+00 H1 2696 1.008000 0.423800 -2.7404E-01 -1.1296E+01 -8.7992E+00 H2 2697 1.008000 0.423800 -1.6494E+00 -1.1061E+01 -9.6475E+00 O6 2698 15.999400 -0.847600 -9.5942E+00 -7.9364E+00 1.7548E+01 H1 2699 1.008000 0.423800 -1.0437E+01 -7.9611E+00 1.7011E+01 H2 2700 1.008000 0.423800 -9.2605E+00 -8.8687E+00 1.7688E+01 O6 2701 15.999400 -0.847600 1.2703E+01 1.4465E+01 4.6335E-01 H1 2702 1.008000 0.423800 1.3000E+01 1.3589E+01 8.4447E-01 H2 2703 1.008000 0.423800 1.2248E+01 1.4309E+01 -4.1337E-01 O6 2704 15.999400 -0.847600 9.8102E+00 -1.5313E+01 1.2733E+00 H1 2705 1.008000 0.423800 9.7057E+00 -1.4405E+01 1.6794E+00 H2 2706 1.008000 0.423800 9.2254E+00 -1.5386E+01 4.6545E-01 O6 2707 15.999400 -0.847600 -1.7277E+01 -1.9551E+00 -7.2039E+00 H1 2708 1.008000 0.423800 -1.7250E+01 -9.6316E-01 -7.0800E+00 H2 2709 1.008000 0.423800 -1.8214E+01 -2.2811E+00 -7.0731E+00 O6 2710 15.999400 -0.847600 -2.0000E+00 -1.4574E+01 1.3657E+01 H1 2711 1.008000 0.423800 -1.5217E+00 -1.3748E+01 1.3359E+01 H2 2712 1.008000 0.423800 -2.3453E+00 -1.5066E+01 1.2858E+01 O6 2713 15.999400 -0.847600 -1.6240E+01 4.2410E+00 -1.3925E+01 H1 2714 1.008000 0.423800 -1.5269E+01 3.9998E+00 -1.3922E+01 H2 2715 1.008000 0.423800 -1.6378E+01 5.0612E+00 -1.4480E+01 O6 2716 15.999400 -0.847600 1.0783E+01 1.5525E+01 5.7005E+00 H1 2717 1.008000 0.423800 1.1232E+01 1.5525E+01 4.8067E+00 H2 2718 1.008000 0.423800 1.1376E+01 1.5078E+01 6.3706E+00 O6 2719 15.999400 -0.847600 -8.1571E+00 -6.7973E+00 -8.4584E+00 H1 2720 1.008000 0.423800 -8.4868E+00 -7.5758E+00 -7.9242E+00 H2 2721 1.008000 0.423800 -8.5141E+00 -6.8577E+00 -9.3905E+00 O6 2722 15.999400 -0.847600 1.8599E+01 -4.1954E+00 -1.7029E+01 H1 2723 1.008000 0.423800 1.9026E+01 -3.6922E+00 -1.6277E+01 H2 2724 1.008000 0.423800 1.9300E+01 -4.7029E+00 -1.7530E+01 O6 2725 15.999400 -0.847600 1.0939E+01 8.5581E-01 -6.2578E+00 H1 2726 1.008000 0.423800 1.1814E+01 5.6878E-01 -6.6474E+00 H2 2727 1.008000 0.423800 1.0365E+01 1.2451E+00 -6.9783E+00 O6 2728 15.999400 -0.847600 -1.2657E+01 -6.0656E+00 5.7428E+00 H1 2729 1.008000 0.423800 -1.2373E+01 -6.2905E+00 4.8107E+00 H2 2730 1.008000 0.423800 -1.2696E+01 -5.0720E+00 5.8488E+00 O6 2731 15.999400 -0.847600 4.9590E+00 -1.8745E+01 -1.6793E+01 H1 2732 1.008000 0.423800 5.3123E+00 -1.8935E+01 -1.5877E+01 H2 2733 1.008000 0.423800 4.0887E+00 -1.9221E+01 -1.6920E+01 O6 2734 15.999400 -0.847600 -6.9321E+00 -3.9243E+00 -3.7883E-01 H1 2735 1.008000 0.423800 -5.9916E+00 -4.0898E+00 -6.7556E-01 H2 2736 1.008000 0.423800 -7.4546E+00 -3.5271E+00 -1.1333E+00 O6 2737 15.999400 -0.847600 9.4496E+00 -8.3296E+00 -6.9709E+00 H1 2738 1.008000 0.423800 1.0402E+01 -8.5686E+00 -6.7808E+00 H2 2739 1.008000 0.423800 9.0832E+00 -7.7916E+00 -6.2118E+00 O6 2740 15.999400 -0.847600 7.1702E+00 -1.2766E+01 1.4317E+01 H1 2741 1.008000 0.423800 6.3058E+00 -1.3005E+01 1.3874E+01 H2 2742 1.008000 0.423800 7.2349E+00 -1.3236E+01 1.5197E+01 O6 2743 15.999400 -0.847600 -1.7060E+00 1.7691E+01 -1.6618E+01 H1 2744 1.008000 0.423800 -1.0166E+00 1.7621E+01 -1.7339E+01 H2 2745 1.008000 0.423800 -1.8231E+00 1.6799E+01 -1.6181E+01 O6 2746 15.999400 -0.847600 9.5608E-01 1.3157E+01 -8.6776E+00 H1 2747 1.008000 0.423800 9.2201E-01 1.4098E+01 -9.0151E+00 H2 2748 1.008000 0.423800 5.0590E-01 1.3106E+01 -7.7861E+00 O6 2749 15.999400 -0.847600 -6.8421E-01 1.0131E+01 7.7748E+00 H1 2750 1.008000 0.423800 -9.4273E-01 1.0671E+01 6.9740E+00 H2 2751 1.008000 0.423800 1.4630E-01 1.0513E+01 8.1804E+00 O6 2752 15.999400 -0.847600 9.4633E-01 7.0851E+00 1.3668E+01 H1 2753 1.008000 0.423800 7.4458E-01 7.8931E+00 1.4222E+01 H2 2754 1.008000 0.423800 1.7526E+00 7.2608E+00 1.3103E+01 O6 2755 15.999400 -0.847600 9.2561E+00 1.7210E+01 -7.3976E+00 H1 2756 1.008000 0.423800 8.7368E+00 1.7881E+01 -6.8686E+00 H2 2757 1.008000 0.423800 9.3064E+00 1.6351E+01 -6.8881E+00 O6 2758 15.999400 -0.847600 -1.4925E+01 -4.1345E+00 -1.3877E+01 H1 2759 1.008000 0.423800 -1.4874E+01 -3.9087E+00 -1.4850E+01 H2 2760 1.008000 0.423800 -1.5243E+01 -3.3363E+00 -1.3366E+01 O6 2761 15.999400 -0.847600 6.7453E+00 -3.1753E+00 6.5422E+00 H1 2762 1.008000 0.423800 7.2858E+00 -2.5603E+00 5.9680E+00 H2 2763 1.008000 0.423800 5.8558E+00 -2.7592E+00 6.7309E+00 O6 2764 15.999400 -0.847600 5.3905E+00 1.7562E+01 -1.4708E+01 H1 2765 1.008000 0.423800 6.3007E+00 1.7606E+01 -1.4297E+01 H2 2766 1.008000 0.423800 4.7964E+00 1.6989E+01 -1.4143E+01 O6 2767 15.999400 -0.847600 -1.0154E+01 -4.0022E+00 -8.2241E+00 H1 2768 1.008000 0.423800 -1.0070E+01 -3.8805E+00 -9.2131E+00 H2 2769 1.008000 0.423800 -9.2452E+00 -4.1202E+00 -7.8242E+00 O6 2770 15.999400 -0.847600 4.9497E+00 1.4797E-01 9.3826E+00 H1 2771 1.008000 0.423800 4.0310E+00 2.9640E-02 9.7594E+00 H2 2772 1.008000 0.423800 5.5264E+00 6.1695E-01 1.0052E+01 O6 2773 15.999400 -0.847600 -1.0769E+01 4.2793E+00 7.5700E+00 H1 2774 1.008000 0.423800 -1.1214E+01 3.5761E+00 7.0154E+00 H2 2775 1.008000 0.423800 -1.0943E+01 4.0999E+00 8.5382E+00 O6 2776 15.999400 -0.847600 -1.8395E+01 -1.6833E+01 -8.1720E+00 H1 2777 1.008000 0.423800 -1.9142E+01 -1.7047E+01 -8.8017E+00 H2 2778 1.008000 0.423800 -1.8566E+01 -1.7274E+01 -7.2907E+00 O6 2779 15.999400 -0.847600 7.3306E+00 -4.6628E+00 1.3310E+01 H1 2780 1.008000 0.423800 8.2043E+00 -4.2822E+00 1.3613E+01 H2 2781 1.008000 0.423800 7.4826E+00 -5.2618E+00 1.2524E+01 O6 2782 15.999400 -0.847600 1.7456E+01 -1.9055E+01 5.9255E+00 H1 2783 1.008000 0.423800 1.7677E+01 1.9185E+01 5.4607E+00 H2 2784 1.008000 0.423800 1.7414E+01 -1.8314E+01 5.2554E+00 O6 2785 15.999400 -0.847600 5.2040E+00 1.2313E+01 1.7532E+01 H1 2786 1.008000 0.423800 4.6525E+00 1.2410E+01 1.8361E+01 H2 2787 1.008000 0.423800 6.0770E+00 1.1882E+01 1.7761E+01 O6 2788 15.999400 -0.847600 1.2817E+01 1.4629E+01 9.7499E+00 H1 2789 1.008000 0.423800 1.2308E+01 1.3954E+01 1.0283E+01 H2 2790 1.008000 0.423800 1.3346E+01 1.5211E+01 1.0367E+01 O6 2791 15.999400 -0.847600 -3.3672E+00 1.6757E+01 8.8608E+00 H1 2792 1.008000 0.423800 -4.2694E+00 1.7166E+01 8.7225E+00 H2 2793 1.008000 0.423800 -3.0806E+00 1.6292E+01 8.0236E+00 O6 2794 15.999400 -0.847600 5.6599E+00 1.0395E+01 -1.1869E+01 H1 2795 1.008000 0.423800 5.1185E+00 1.1169E+01 -1.2196E+01 H2 2796 1.008000 0.423800 5.9710E+00 1.0575E+01 -1.0936E+01 O6 2797 15.999400 -0.847600 -8.8739E+00 1.4589E+01 -1.4953E+01 H1 2798 1.008000 0.423800 -9.7455E+00 1.4166E+01 -1.5201E+01 H2 2799 1.008000 0.423800 -8.4400E+00 1.4963E+01 -1.5772E+01 O6 2800 15.999400 -0.847600 -6.3431E-01 -2.7124E+00 -1.6447E+01 H1 2801 1.008000 0.423800 -1.4378E+00 -2.8166E+00 -1.7033E+01 H2 2802 1.008000 0.423800 -8.5525E-01 -2.1057E+00 -1.5684E+01 O6 2803 15.999400 -0.847600 1.1383E+01 6.3472E-01 5.1371E-01 H1 2804 1.008000 0.423800 1.1609E+01 1.5379E+00 8.7842E-01 H2 2805 1.008000 0.423800 1.0678E+01 2.1225E-01 1.0838E+00 O6 2806 15.999400 -0.847600 4.9787E-02 1.3004E+01 -6.1738E+00 H1 2807 1.008000 0.423800 -5.7235E-01 1.3343E+01 -5.4679E+00 H2 2808 1.008000 0.423800 2.4485E-01 1.2037E+01 -6.0100E+00 O6 2809 15.999400 -0.847600 -1.6537E+01 -2.1966E+00 1.5524E+01 H1 2810 1.008000 0.423800 -1.7117E+01 -1.6082E+00 1.4961E+01 H2 2811 1.008000 0.423800 -1.6866E+01 -3.1392E+00 1.5471E+01 O6 2812 15.999400 -0.847600 1.3796E+01 -5.2046E+00 -5.4066E+00 H1 2813 1.008000 0.423800 1.2805E+01 -5.2099E+00 -5.2692E+00 H2 2814 1.008000 0.423800 1.4140E+01 -4.2709E+00 -5.3098E+00 O6 2815 15.999400 -0.847600 -1.8626E+01 -1.5047E+01 -1.1463E+01 H1 2816 1.008000 0.423800 -1.9039E+01 -1.4513E+01 -1.0725E+01 H2 2817 1.008000 0.423800 -1.9203E+01 -1.5838E+01 -1.1665E+01 O6 2818 15.999400 -0.847600 1.3196E+01 1.1110E+01 7.8485E+00 H1 2819 1.008000 0.423800 1.3225E+01 1.0759E+01 8.7845E+00 H2 2820 1.008000 0.423800 1.4124E+01 1.1146E+01 7.4777E+00 O6 2821 15.999400 -0.847600 1.3980E+01 1.6216E+01 -3.2443E+00 H1 2822 1.008000 0.423800 1.4549E+01 1.6898E+01 -3.7032E+00 H2 2823 1.008000 0.423800 1.4229E+01 1.6171E+01 -2.2768E+00 O6 2824 15.999400 -0.847600 5.2508E+00 4.8250E+00 -2.7621E+00 H1 2825 1.008000 0.423800 4.9251E+00 3.9213E+00 -2.4841E+00 H2 2826 1.008000 0.423800 5.7841E+00 5.2300E+00 -2.0195E+00 O6 2827 15.999400 -0.847600 3.3183E-01 -1.8738E+01 1.0320E+01 H1 2828 1.008000 0.423800 1.3291E+00 -1.8694E+01 1.0379E+01 H2 2829 1.008000 0.423800 -6.9823E-02 -1.8289E+01 1.1118E+01 O6 2830 15.999400 -0.847600 -1.6016E+01 9.4054E+00 -4.6414E-01 H1 2831 1.008000 0.423800 -1.6405E+01 9.6775E+00 4.1583E-01 H2 2832 1.008000 0.423800 -1.5548E+01 1.0187E+01 -8.7738E-01 O6 2833 15.999400 -0.847600 -1.4410E+01 1.1835E+01 -4.1104E+00 H1 2834 1.008000 0.423800 -1.3460E+01 1.1894E+01 -4.4165E+00 H2 2835 1.008000 0.423800 -1.4435E+01 1.1759E+01 -3.1136E+00 O6 2836 15.999400 -0.847600 1.0735E+01 -1.0388E+01 1.7583E+01 H1 2837 1.008000 0.423800 1.0557E+01 -1.0164E+01 1.6624E+01 H2 2838 1.008000 0.423800 1.0528E+01 -9.5947E+00 1.8155E+01 O6 2839 15.999400 -0.847600 -1.5321E+01 -1.5539E+01 4.3888E+00 H1 2840 1.008000 0.423800 -1.5827E+01 -1.4882E+01 3.8302E+00 H2 2841 1.008000 0.423800 -1.4940E+01 -1.5074E+01 5.1876E+00 O6 2842 15.999400 -0.847600 7.4728E+00 3.6255E+00 7.2276E+00 H1 2843 1.008000 0.423800 7.3777E+00 2.6943E+00 6.8758E+00 H2 2844 1.008000 0.423800 8.1127E+00 4.1352E+00 6.6526E+00 O6 2845 15.999400 -0.847600 1.7318E+01 6.6410E+00 -3.5311E+00 H1 2846 1.008000 0.423800 1.8274E+01 6.3588E+00 -3.4518E+00 H2 2847 1.008000 0.423800 1.7273E+01 7.5656E+00 -3.9095E+00 O6 2848 15.999400 -0.847600 -1.3198E+01 9.4333E+00 7.9412E+00 H1 2849 1.008000 0.423800 -1.3165E+01 8.4338E+00 7.9473E+00 H2 2850 1.008000 0.423800 -1.3875E+01 9.7404E+00 7.2728E+00 O6 2851 15.999400 -0.847600 1.8026E+01 -9.3175E+00 1.9303E+01 H1 2852 1.008000 0.423800 1.8457E+01 -1.0202E+01 1.9126E+01 H2 2853 1.008000 0.423800 1.8493E+01 -8.6077E+00 1.8776E+01 O6 2854 15.999400 -0.847600 -1.4322E+00 7.0926E+00 1.2061E+00 H1 2855 1.008000 0.423800 -7.4584E-01 7.6092E+00 1.7179E+00 H2 2856 1.008000 0.423800 -1.5115E+00 6.1726E+00 1.5899E+00 O6 2857 15.999400 -0.847600 3.5623E+00 -1.3833E+01 9.6768E+00 H1 2858 1.008000 0.423800 3.2833E+00 -1.4416E+01 8.9135E+00 H2 2859 1.008000 0.423800 3.0015E+00 -1.3005E+01 9.6863E+00 O6 2860 15.999400 -0.847600 -9.3315E+00 -8.8038E+00 -1.8726E+01 H1 2861 1.008000 0.423800 -9.3448E+00 -9.1508E+00 1.9434E+01 H2 2862 1.008000 0.423800 -8.5547E+00 -8.1848E+00 -1.8611E+01 O6 2863 15.999400 -0.847600 1.7258E+01 -1.3369E+01 1.2487E+01 H1 2864 1.008000 0.423800 1.6806E+01 -1.3600E+01 1.3348E+01 H2 2865 1.008000 0.423800 1.6684E+01 -1.3658E+01 1.1721E+01 O6 2866 15.999400 -0.847600 6.0000E+00 -2.7271E+00 2.7673E+00 H1 2867 1.008000 0.423800 6.5828E+00 -3.3847E+00 2.2898E+00 H2 2868 1.008000 0.423800 5.0397E+00 -2.9616E+00 2.6160E+00 O6 2869 15.999400 -0.847600 -6.9743E+00 -1.1955E+01 -3.2826E+00 H1 2870 1.008000 0.423800 -6.2249E+00 -1.2102E+01 -2.6370E+00 H2 2871 1.008000 0.423800 -6.6006E+00 -1.1798E+01 -4.1968E+00 O6 2872 15.999400 -0.847600 6.3150E+00 5.9934E+00 -5.7279E-01 H1 2873 1.008000 0.423800 7.2356E+00 6.3754E+00 -4.9062E-01 H2 2874 1.008000 0.423800 6.0379E+00 5.6002E+00 3.0390E-01 O6 2875 15.999400 -0.847600 5.5146E+00 1.7063E+01 1.8144E+01 H1 2876 1.008000 0.423800 6.3459E+00 1.7222E+01 1.7612E+01 H2 2877 1.008000 0.423800 5.0107E+00 1.6293E+01 1.7753E+01 O6 2878 15.999400 -0.847600 -1.6513E+00 -3.2900E+00 -8.1471E+00 H1 2879 1.008000 0.423800 -2.1471E+00 -2.7508E+00 -7.4663E+00 H2 2880 1.008000 0.423800 -1.6931E+00 -2.8279E+00 -9.0330E+00 O6 2881 15.999400 -0.847600 -1.8809E+01 -8.6278E+00 -4.2462E+00 H1 2882 1.008000 0.423800 -1.8326E+01 -8.5480E+00 -5.1184E+00 H2 2883 1.008000 0.423800 -1.8181E+01 -8.4171E+00 -3.4972E+00 O6 2884 15.999400 -0.847600 -8.7234E+00 8.9305E+00 1.4857E+01 H1 2885 1.008000 0.423800 -9.1556E+00 9.6639E+00 1.5382E+01 H2 2886 1.008000 0.423800 -8.4336E+00 9.2833E+00 1.3968E+01 O6 2887 15.999400 -0.847600 -3.1535E+00 3.9680E+00 -1.1069E+01 H1 2888 1.008000 0.423800 -2.2351E+00 3.8594E+00 -1.0689E+01 H2 2889 1.008000 0.423800 -3.1346E+00 4.6563E+00 -1.1794E+01 O6 2890 15.999400 -0.847600 5.5526E+00 8.4842E+00 -9.3615E+00 H1 2891 1.008000 0.423800 5.7795E+00 9.4425E+00 -9.1877E+00 H2 2892 1.008000 0.423800 6.3034E+00 8.0487E+00 -9.8582E+00 O6 2893 15.999400 -0.847600 3.8402E+00 -1.0160E+01 1.5636E+01 H1 2894 1.008000 0.423800 3.1729E+00 -1.0562E+01 1.5009E+01 H2 2895 1.008000 0.423800 4.3933E+00 -1.0886E+01 1.6045E+01 O6 2896 15.999400 -0.847600 -1.0261E+01 -1.5193E+01 1.6943E+00 H1 2897 1.008000 0.423800 -1.1037E+01 -1.5110E+01 1.0700E+00 H2 2898 1.008000 0.423800 -9.9740E+00 -1.6150E+01 1.7439E+00 O6 2899 15.999400 -0.847600 -8.0668E+00 1.6082E+01 1.5380E+01 H1 2900 1.008000 0.423800 -7.2332E+00 1.6162E+01 1.4834E+01 H2 2901 1.008000 0.423800 -8.7381E+00 1.6752E+01 1.5064E+01 O6 2902 15.999400 -0.847600 -1.0236E+01 -1.4920E+01 -1.2241E+01 H1 2903 1.008000 0.423800 -1.1124E+01 -1.5377E+01 -1.2284E+01 H2 2904 1.008000 0.423800 -1.0297E+01 -1.4129E+01 -1.1632E+01 O6 2905 15.999400 -0.847600 -7.5430E+00 1.3468E+01 1.2558E+01 H1 2906 1.008000 0.423800 -7.6093E+00 1.4461E+01 1.2458E+01 H2 2907 1.008000 0.423800 -7.4981E+00 1.3234E+01 1.3529E+01 O6 2908 15.999400 -0.847600 -2.0878E+00 1.2626E+01 -1.7604E+01 H1 2909 1.008000 0.423800 -1.3005E+00 1.2362E+01 -1.8161E+01 H2 2910 1.008000 0.423800 -2.1476E+00 1.2027E+01 -1.6806E+01 O6 2911 15.999400 -0.847600 1.1921E+01 -1.2086E+01 -1.2237E+00 H1 2912 1.008000 0.423800 1.2029E+01 -1.3005E+01 -8.4456E-01 H2 2913 1.008000 0.423800 1.1720E+01 -1.1443E+01 -4.8523E-01 O6 2914 15.999400 -0.847600 -1.0296E+01 4.0231E+00 1.0484E+01 H1 2915 1.008000 0.423800 -1.0779E+01 4.6982E+00 1.1041E+01 H2 2916 1.008000 0.423800 -9.8890E+00 3.3300E+00 1.1079E+01 O6 2917 15.999400 -0.847600 8.3472E+00 -4.9414E+00 -1.0227E+01 H1 2918 1.008000 0.423800 8.1259E+00 -5.2217E+00 -9.2929E+00 H2 2919 1.008000 0.423800 9.1590E+00 -5.4346E+00 -1.0539E+01 O6 2920 15.999400 -0.847600 -1.6454E+01 -6.4668E+00 6.9969E-01 H1 2921 1.008000 0.423800 -1.5942E+01 -7.3097E+00 8.6581E-01 H2 2922 1.008000 0.423800 -1.7015E+01 -6.2549E+00 1.4994E+00 O6 2923 15.999400 -0.847600 -6.1323E+00 1.5319E+01 2.4415E+00 H1 2924 1.008000 0.423800 -6.9595E+00 1.5875E+01 2.5231E+00 H2 2925 1.008000 0.423800 -5.6263E+00 1.5592E+01 1.6234E+00 O6 2926 15.999400 -0.847600 1.2533E+01 5.4060E-01 9.9492E+00 H1 2927 1.008000 0.423800 1.2895E+01 1.1997E+00 9.2899E+00 H2 2928 1.008000 0.423800 1.2263E+01 1.0191E+00 1.0784E+01 O6 2929 15.999400 -0.847600 -8.4155E+00 1.0121E+00 9.6681E+00 H1 2930 1.008000 0.423800 -7.4621E+00 7.6642E-01 9.8429E+00 H2 2931 1.008000 0.423800 -8.4505E+00 1.8789E+00 9.1707E+00 O6 2932 15.999400 -0.847600 1.5445E+01 -1.8828E+00 1.7656E-01 H1 2933 1.008000 0.423800 1.5849E+01 -1.0840E+00 -2.6916E-01 H2 2934 1.008000 0.423800 1.4523E+01 -2.0332E+00 -1.8093E-01 O6 2935 15.999400 -0.847600 -7.6613E+00 1.1095E+01 -1.6550E+01 H1 2936 1.008000 0.423800 -7.9249E+00 1.1687E+01 -1.7312E+01 H2 2937 1.008000 0.423800 -6.8608E+00 1.0555E+01 -1.6809E+01 O6 2938 15.999400 -0.847600 -1.6394E+01 -1.0740E+01 1.6245E+01 H1 2939 1.008000 0.423800 -1.6287E+01 -1.0356E+01 1.5328E+01 H2 2940 1.008000 0.423800 -1.6308E+01 -1.0010E+01 1.6924E+01 O6 2941 15.999400 -0.847600 6.3780E+00 -1.7972E+01 -1.9182E+01 H1 2942 1.008000 0.423800 5.7688E+00 -1.8264E+01 -1.8445E+01 H2 2943 1.008000 0.423800 5.8529E+00 -1.7869E+01 1.9071E+01 O6 2944 15.999400 -0.847600 -9.7700E+00 -3.1600E-01 1.5304E+01 H1 2945 1.008000 0.423800 -1.0310E+01 -4.0748E-01 1.6141E+01 H2 2946 1.008000 0.423800 -9.9987E+00 -1.0603E+00 1.4677E+01 O6 2947 15.999400 -0.847600 6.1557E+00 -5.8377E+00 5.3001E+00 H1 2948 1.008000 0.423800 6.2484E+00 -4.9642E+00 5.7780E+00 H2 2949 1.008000 0.423800 7.0412E+00 -6.3019E+00 5.2795E+00 O6 2950 15.999400 -0.847600 1.7327E+01 1.2374E+01 -8.6761E+00 H1 2951 1.008000 0.423800 1.7916E+01 1.3032E+01 -9.1455E+00 H2 2952 1.008000 0.423800 1.7396E+01 1.1484E+01 -9.1268E+00 O6 2953 15.999400 -0.847600 -5.1452E+00 -4.0648E-01 -1.6929E+01 H1 2954 1.008000 0.423800 -4.3730E+00 1.0079E-01 -1.6547E+01 H2 2955 1.008000 0.423800 -4.8485E+00 -8.9742E-01 -1.7748E+01 O6 2956 15.999400 -0.847600 8.6629E+00 -1.9346E+01 8.0351E+00 H1 2957 1.008000 0.423800 9.2101E+00 -1.9534E+01 7.2194E+00 H2 2958 1.008000 0.423800 7.6947E+00 -1.9483E+01 7.8255E+00 O6 2959 15.999400 -0.847600 7.7246E+00 -1.1223E+01 -3.5621E+00 H1 2960 1.008000 0.423800 7.7513E+00 -1.0940E+01 -4.5207E+00 H2 2961 1.008000 0.423800 6.9663E+00 -1.0764E+01 -3.0997E+00 O6 2962 15.999400 -0.847600 1.8230E+01 -1.0365E+01 -3.5701E+00 H1 2963 1.008000 0.423800 1.8979E+01 -9.7567E+00 -3.8320E+00 H2 2964 1.008000 0.423800 1.7452E+01 -9.8204E+00 -3.2564E+00 O6 2965 15.999400 -0.847600 1.4147E+01 -1.6154E+01 -4.4271E+00 H1 2966 1.008000 0.423800 1.3753E+01 -1.5285E+01 -4.7303E+00 H2 2967 1.008000 0.423800 1.3632E+01 -1.6496E+01 -3.6411E+00 O6 2968 15.999400 -0.847600 9.6582E+00 -9.9922E+00 -1.8983E+01 H1 2969 1.008000 0.423800 1.0098E+01 -9.1836E+00 -1.8592E+01 H2 2970 1.008000 0.423800 9.8203E+00 -1.0780E+01 -1.8388E+01 O6 2971 15.999400 -0.847600 -1.1433E+00 -4.3328E-01 -1.4923E+01 H1 2972 1.008000 0.423800 -2.0503E+00 -1.4057E-01 -1.5226E+01 H2 2973 1.008000 0.423800 -5.0752E-01 3.3627E-01 -1.4983E+01 O6 2974 15.999400 -0.847600 -1.4634E+01 1.9128E+01 4.5051E+00 H1 2975 1.008000 0.423800 -1.3717E+01 1.9521E+01 4.4400E+00 H2 2976 1.008000 0.423800 -1.5312E+01 -1.9273E+01 4.2673E+00 O6 2977 15.999400 -0.847600 9.8836E+00 2.4657E+00 4.5314E+00 H1 2978 1.008000 0.423800 9.4923E+00 3.2902E+00 4.1227E+00 H2 2979 1.008000 0.423800 1.0876E+01 2.4696E+00 4.4049E+00 O6 2980 15.999400 -0.847600 1.3350E+01 1.1409E+01 -7.9065E+00 H1 2981 1.008000 0.423800 1.3325E+01 1.2378E+01 -7.6624E+00 H2 2982 1.008000 0.423800 1.3355E+01 1.0856E+01 -7.0737E+00 O6 2983 15.999400 -0.847600 5.3845E-01 7.2237E+00 6.7561E+00 H1 2984 1.008000 0.423800 5.7342E-01 7.8756E+00 5.9986E+00 H2 2985 1.008000 0.423800 7.9129E-01 7.6864E+00 7.6058E+00 O6 2986 15.999400 -0.847600 -5.8133E+00 -9.1183E+00 1.5292E+01 H1 2987 1.008000 0.423800 -4.9822E+00 -8.5639E+00 1.5335E+01 H2 2988 1.008000 0.423800 -6.3637E+00 -8.9590E+00 1.6111E+01 O6 2989 15.999400 -0.847600 7.0538E+00 1.1533E+01 6.8858E-01 H1 2990 1.008000 0.423800 7.8874E+00 1.2020E+01 4.2734E-01 H2 2991 1.008000 0.423800 6.9472E+00 1.1565E+01 1.6824E+00 O6 2992 15.999400 -0.847600 3.6139E+00 6.9290E+00 -1.7730E+01 H1 2993 1.008000 0.423800 4.2043E+00 7.2686E+00 -1.6998E+01 H2 2994 1.008000 0.423800 2.8789E+00 6.3768E+00 -1.7337E+01 O6 2995 15.999400 -0.847600 1.0159E+01 -1.5759E+01 -1.1028E+01 H1 2996 1.008000 0.423800 1.0152E+01 -1.6747E+01 -1.1177E+01 H2 2997 1.008000 0.423800 1.0478E+01 -1.5299E+01 -1.1856E+01 O6 2998 15.999400 -0.847600 1.8377E+01 6.6459E-01 5.7882E+00 H1 2999 1.008000 0.423800 1.7847E+01 1.3739E+00 5.3232E+00 H2 3000 1.008000 0.423800 1.8038E+01 -2.3628E-01 5.5167E+00 O6 3001 15.999400 -0.847600 -8.2246E+00 1.8372E+01 -1.5260E+01 H1 3002 1.008000 0.423800 -8.4708E+00 1.7519E+01 -1.4800E+01 H2 3003 1.008000 0.423800 -7.2333E+00 1.8408E+01 -1.5387E+01 O6 3004 15.999400 -0.847600 1.4686E+01 1.7948E+01 -1.6102E+01 H1 3005 1.008000 0.423800 1.3709E+01 1.7997E+01 -1.6310E+01 H2 3006 1.008000 0.423800 1.4813E+01 1.7569E+01 -1.5186E+01 O6 3007 15.999400 -0.847600 5.5675E+00 -4.7407E+00 -1.6071E+00 H1 3008 1.008000 0.423800 6.0425E+00 -4.0489E+00 -2.1510E+00 H2 3009 1.008000 0.423800 5.0184E+00 -4.2914E+00 -9.0243E-01 O6 3010 15.999400 -0.847600 -1.3267E+01 1.6964E+01 7.8627E+00 H1 3011 1.008000 0.423800 -1.3637E+01 1.7883E+01 7.7284E+00 H2 3012 1.008000 0.423800 -1.3611E+01 1.6589E+01 8.7237E+00 O6 3013 15.999400 -0.847600 4.7842E+00 1.7401E+01 3.1337E+00 H1 3014 1.008000 0.423800 4.3412E+00 1.7562E+01 4.0156E+00 H2 3015 1.008000 0.423800 5.2905E+00 1.8219E+01 2.8605E+00 O6 3016 15.999400 -0.847600 4.1170E+00 -1.8088E+00 1.8556E+01 H1 3017 1.008000 0.423800 4.9057E+00 -2.0515E+00 1.7991E+01 H2 3018 1.008000 0.423800 4.3491E+00 -1.9282E+00 1.9521E+01 O6 3019 15.999400 -0.847600 -1.4184E+01 7.1272E+00 2.2056E-01 H1 3020 1.008000 0.423800 -1.4783E+01 7.6932E+00 -3.4567E-01 H2 3021 1.008000 0.423800 -1.4554E+01 6.1998E+00 2.7388E-01 O6 3022 15.999400 -0.847600 8.5088E+00 -4.5823E+00 1.7722E+01 H1 3023 1.008000 0.423800 9.0572E+00 -4.4314E+00 1.6900E+01 H2 3024 1.008000 0.423800 8.0390E+00 -5.4623E+00 1.7653E+01 O6 3025 15.999400 -0.847600 -1.2945E+01 4.0937E-01 -5.0355E+00 H1 3026 1.008000 0.423800 -1.2232E+01 4.7486E-01 -4.3375E+00 H2 3027 1.008000 0.423800 -1.2864E+01 1.1793E+00 -5.6684E+00 O6 3028 15.999400 -0.847600 -1.6223E+01 -1.2069E+01 -1.1679E+01 H1 3029 1.008000 0.423800 -1.5992E+01 -1.2872E+01 -1.1131E+01 H2 3030 1.008000 0.423800 -1.5532E+01 -1.1941E+01 -1.2390E+01 O6 3031 15.999400 -0.847600 1.5758E+01 -1.3572E+01 1.0126E+01 H1 3032 1.008000 0.423800 1.5512E+01 -1.4373E+01 9.5802E+00 H2 3033 1.008000 0.423800 1.6036E+01 -1.2828E+01 9.5181E+00 O6 3034 15.999400 -0.847600 1.0639E+01 4.7583E+00 1.4586E+01 H1 3035 1.008000 0.423800 1.1132E+01 5.0968E+00 1.5387E+01 H2 3036 1.008000 0.423800 1.0485E+01 3.7747E+00 1.4681E+01 O6 3037 15.999400 -0.847600 -1.7264E-01 -1.2559E+01 3.1212E+00 H1 3038 1.008000 0.423800 -5.0336E-01 -1.2915E+01 2.2473E+00 H2 3039 1.008000 0.423800 -9.2801E-01 -1.2124E+01 3.6108E+00 O6 3040 15.999400 -0.847600 -1.4219E+01 -1.4014E+01 6.6536E+00 H1 3041 1.008000 0.423800 -1.4324E+01 -1.4478E+01 7.5333E+00 H2 3042 1.008000 0.423800 -1.3683E+01 -1.3179E+01 6.7788E+00 O6 3043 15.999400 -0.847600 1.0199E+01 -1.6186E+01 -4.3734E+00 H1 3044 1.008000 0.423800 1.0294E+01 -1.6563E+01 -5.2951E+00 H2 3045 1.008000 0.423800 1.0242E+01 -1.5188E+01 -4.4150E+00 O6 3046 15.999400 -0.847600 3.1102E+00 1.3784E+00 1.5121E+01 H1 3047 1.008000 0.423800 3.3806E+00 1.4770E+00 1.6079E+01 H2 3048 1.008000 0.423800 2.2638E+00 8.4861E-01 1.5067E+01 O6 3049 15.999400 -0.847600 3.2798E+00 1.5498E+01 6.5325E+00 H1 3050 1.008000 0.423800 3.9982E+00 1.5158E+01 7.1394E+00 H2 3051 1.008000 0.423800 3.4986E+00 1.6431E+01 6.2471E+00 O6 3052 15.999400 -0.847600 -1.5206E+01 -1.6248E+01 -1.3411E+01 H1 3053 1.008000 0.423800 -1.5839E+01 -1.6288E+01 -1.2638E+01 H2 3054 1.008000 0.423800 -1.5426E+01 -1.5457E+01 -1.3981E+01 O6 3055 15.999400 -0.847600 -9.8619E+00 -7.7294E+00 1.3459E+01 H1 3056 1.008000 0.423800 -8.8715E+00 -7.7474E+00 1.3322E+01 H2 3057 1.008000 0.423800 -1.0128E+01 -8.4793E+00 1.4065E+01 O6 3058 15.999400 -0.847600 6.7506E+00 -4.2695E+00 9.2640E+00 H1 3059 1.008000 0.423800 6.6432E+00 -3.3326E+00 9.5966E+00 H2 3060 1.008000 0.423800 7.1574E+00 -4.2543E+00 8.3506E+00 O6 3061 15.999400 -0.847600 -1.8708E+01 3.5007E+00 1.6907E+01 H1 3062 1.008000 0.423800 -1.7900E+01 3.5319E+00 1.6319E+01 H2 3063 1.008000 0.423800 -1.8980E+01 2.5490E+00 1.7050E+01 O6 3064 15.999400 -0.847600 6.6766E+00 -1.0734E+01 1.6306E+01 H1 3065 1.008000 0.423800 6.8928E+00 -1.0512E+01 1.5355E+01 H2 3066 1.008000 0.423800 6.0389E+00 -1.1504E+01 1.6331E+01 O6 3067 15.999400 -0.847600 -2.8259E+00 8.3906E+00 7.1813E+00 H1 3068 1.008000 0.423800 -1.9860E+00 8.8803E+00 7.4153E+00 H2 3069 1.008000 0.423800 -3.2728E+00 8.0765E+00 8.0189E+00 O6 3070 15.999400 -0.847600 -1.6039E+01 1.3841E+01 -1.0103E+01 H1 3071 1.008000 0.423800 -1.5974E+01 1.4836E+01 -1.0025E+01 H2 3072 1.008000 0.423800 -1.6101E+01 1.3586E+01 -1.1068E+01 O6 3073 15.999400 -0.847600 -5.2780E+00 1.7920E+01 1.1392E+01 H1 3074 1.008000 0.423800 -4.2971E+00 1.8114E+01 1.1374E+01 H2 3075 1.008000 0.423800 -5.7621E+00 1.8599E+01 1.0840E+01 O6 3076 15.999400 -0.847600 2.1551E-01 1.3287E+01 9.9194E+00 H1 3077 1.008000 0.423800 4.2140E-01 1.3159E+01 8.9492E+00 H2 3078 1.008000 0.423800 -7.5067E-01 1.3089E+01 1.0084E+01 O6 3079 15.999400 -0.847600 1.5759E+01 -1.8739E+01 8.0452E+00 H1 3080 1.008000 0.423800 1.6135E+01 -1.9547E+01 8.4991E+00 H2 3081 1.008000 0.423800 1.5947E+01 -1.8791E+01 7.0643E+00 O6 3082 15.999400 -0.847600 1.2580E+01 -1.6029E+01 -1.3512E+01 H1 3083 1.008000 0.423800 1.2020E+01 -1.5203E+01 -1.3573E+01 H2 3084 1.008000 0.423800 1.3151E+01 -1.5985E+01 -1.2692E+01 O6 3085 15.999400 -0.847600 1.8645E+01 1.7982E+01 4.5407E+00 H1 3086 1.008000 0.423800 1.8079E+01 1.7426E+01 3.9323E+00 H2 3087 1.008000 0.423800 1.9519E+01 1.7523E+01 4.6959E+00 O6 3088 15.999400 -0.847600 5.2224E-01 7.7366E+00 -1.5702E+00 H1 3089 1.008000 0.423800 1.2006E+00 7.1275E+00 -1.9810E+00 H2 3090 1.008000 0.423800 2.7697E-01 7.3980E+00 -6.6182E-01 O6 3091 15.999400 -0.847600 7.5761E+00 4.6795E+00 1.5714E+01 H1 3092 1.008000 0.423800 7.1873E+00 3.7749E+00 1.5889E+01 H2 3093 1.008000 0.423800 8.5484E+00 4.6751E+00 1.5948E+01 O6 3094 15.999400 -0.847600 -1.5842E+01 -4.1915E+00 5.4351E+00 H1 3095 1.008000 0.423800 -1.6573E+01 -3.5436E+00 5.6468E+00 H2 3096 1.008000 0.423800 -1.5491E+01 -4.5875E+00 6.2839E+00 O6 3097 15.999400 -0.847600 1.8881E+01 -2.1682E+00 -5.6145E+00 H1 3098 1.008000 0.423800 1.8387E+01 -1.9656E+00 -4.7688E+00 H2 3099 1.008000 0.423800 1.8228E+01 -2.4062E+00 -6.3331E+00 O6 3100 15.999400 -0.847600 1.7250E+01 -1.7453E-02 1.7004E+01 H1 3101 1.008000 0.423800 1.7259E+01 -9.8073E-01 1.6736E+01 H2 3102 1.008000 0.423800 1.6513E+01 1.3803E-01 1.7662E+01 O6 3103 15.999400 -0.847600 -1.3490E+01 5.5021E+00 1.2619E+01 H1 3104 1.008000 0.423800 -1.3782E+01 4.6535E+00 1.3061E+01 H2 3105 1.008000 0.423800 -1.2507E+01 5.6266E+00 1.2752E+01 O6 3106 15.999400 -0.847600 3.7076E+00 1.4178E+01 -1.4087E+00 H1 3107 1.008000 0.423800 3.5695E+00 1.4615E+01 -5.1988E-01 H2 3108 1.008000 0.423800 3.7693E+00 1.4879E+01 -2.1189E+00 O6 3109 15.999400 -0.847600 1.2217E+01 -1.6778E+01 -2.4430E+00 H1 3110 1.008000 0.423800 1.1448E+01 -1.6735E+01 -3.0816E+00 H2 3111 1.008000 0.423800 1.2093E+01 -1.6091E+01 -1.7270E+00 O6 3112 15.999400 -0.847600 -7.8071E+00 -3.5823E+00 -1.2894E+01 H1 3113 1.008000 0.423800 -7.4532E+00 -3.2635E+00 -1.3773E+01 H2 3114 1.008000 0.423800 -7.3973E+00 -4.4668E+00 -1.2670E+01 O6 3115 15.999400 -0.847600 -1.1486E+01 1.4266E+01 1.7796E+01 H1 3116 1.008000 0.423800 -1.1458E+01 1.4954E+01 1.7071E+01 H2 3117 1.008000 0.423800 -1.2340E+01 1.3750E+01 1.7733E+01 O6 3118 15.999400 -0.847600 8.1867E+00 -7.1292E+00 2.2994E+00 H1 3119 1.008000 0.423800 7.8042E+00 -7.9336E+00 1.8448E+00 H2 3120 1.008000 0.423800 8.0866E+00 -7.2268E+00 3.2895E+00 O6 3121 15.999400 -0.847600 -9.5191E+00 1.1737E+01 -9.9363E+00 H1 3122 1.008000 0.423800 -9.4054E+00 1.2216E+01 -1.0806E+01 H2 3123 1.008000 0.423800 -1.0175E+01 1.2231E+01 -9.3661E+00 O6 3124 15.999400 -0.847600 1.4939E+01 1.3664E+01 1.7627E+01 H1 3125 1.008000 0.423800 1.4848E+01 1.4491E+01 1.7072E+01 H2 3126 1.008000 0.423800 1.5520E+01 1.3005E+01 1.7150E+01 O6 3127 15.999400 -0.847600 -4.7441E+00 -1.1914E+01 4.4757E+00 H1 3128 1.008000 0.423800 -5.6360E+00 -1.1517E+01 4.2604E+00 H2 3129 1.008000 0.423800 -4.8723E+00 -1.2757E+01 4.9992E+00 O6 3130 15.999400 -0.847600 1.8790E+01 -1.8196E+01 1.2795E+01 H1 3131 1.008000 0.423800 1.9534E+01 -1.8375E+01 1.3440E+01 H2 3132 1.008000 0.423800 1.9130E+01 -1.8290E+01 1.1860E+01 O6 3133 15.999400 -0.847600 5.7588E+00 1.3403E+00 1.9450E+01 H1 3134 1.008000 0.423800 5.9021E+00 2.3183E+00 -1.9496E+01 H2 3135 1.008000 0.423800 5.0466E+00 1.2111E+00 1.8760E+01 O6 3136 15.999400 -0.847600 -8.8195E+00 -1.4490E+01 1.6936E+01 H1 3137 1.008000 0.423800 -8.0460E+00 -1.5106E+01 1.6788E+01 H2 3138 1.008000 0.423800 -8.9815E+00 -1.4387E+01 1.7917E+01 O6 3139 15.999400 -0.847600 -5.8962E-01 -3.8878E+00 -3.6542E+00 H1 3140 1.008000 0.423800 -8.5493E-01 -4.8375E+00 -3.4874E+00 H2 3141 1.008000 0.423800 1.0331E-01 -3.6134E+00 -2.9875E+00 O6 3142 15.999400 -0.847600 1.3514E+01 -1.6064E+00 1.3050E+01 H1 3143 1.008000 0.423800 1.3905E+01 -9.4591E-01 1.3690E+01 H2 3144 1.008000 0.423800 1.3526E+01 -2.5177E+00 1.3461E+01 O6 3145 15.999400 -0.847600 -1.5946E+01 4.8941E+00 2.4880E-01 H1 3146 1.008000 0.423800 -1.6659E+01 5.1008E+00 9.1846E-01 H2 3147 1.008000 0.423800 -1.5955E+01 3.9157E+00 4.2679E-02 O6 3148 15.999400 -0.847600 -1.7380E+01 -1.0111E+01 -1.5438E+01 H1 3149 1.008000 0.423800 -1.7047E+01 -1.0586E+01 -1.6253E+01 H2 3150 1.008000 0.423800 -1.8034E+01 -9.4046E+00 -1.5708E+01 O6 3151 15.999400 -0.847600 6.5232E+00 1.9336E+01 5.9907E+00 H1 3152 1.008000 0.423800 6.4546E+00 -1.9504E+01 5.0268E+00 H2 3153 1.008000 0.423800 5.6999E+00 1.8837E+01 6.2617E+00 O6 3154 15.999400 -0.847600 -8.9909E+00 -1.3793E+01 -6.9655E-01 H1 3155 1.008000 0.423800 -9.5875E+00 -1.2996E+01 -6.0511E-01 H2 3156 1.008000 0.423800 -8.6401E+00 -1.4052E+01 2.0346E-01 O6 3157 15.999400 -0.847600 9.0895E-01 -2.8355E+00 1.2048E+01 H1 3158 1.008000 0.423800 1.1832E+00 -2.5852E+00 1.1119E+01 H2 3159 1.008000 0.423800 1.6653E+00 -2.6591E+00 1.2678E+01 O6 3160 15.999400 -0.847600 3.0962E+00 9.9481E+00 1.0169E+01 H1 3161 1.008000 0.423800 3.6174E+00 1.0737E+01 1.0495E+01 H2 3162 1.008000 0.423800 3.7108E+00 9.1680E+00 1.0052E+01 O6 3163 15.999400 -0.847600 1.3531E+01 -1.2581E+01 3.3450E+00 H1 3164 1.008000 0.423800 1.3167E+01 -1.1654E+01 3.4337E+00 H2 3165 1.008000 0.423800 1.4491E+01 -1.2537E+01 3.0676E+00 O6 3166 15.999400 -0.847600 -4.1425E+00 -1.5084E+01 -1.1753E+01 H1 3167 1.008000 0.423800 -3.7302E+00 -1.5995E+01 -1.1779E+01 H2 3168 1.008000 0.423800 -3.4416E+00 -1.4396E+01 -1.1939E+01 O6 3169 15.999400 -0.847600 -5.5036E+00 6.3831E+00 -1.1549E+00 H1 3170 1.008000 0.423800 -6.3298E+00 6.7949E+00 -7.7024E-01 H2 3171 1.008000 0.423800 -5.6783E+00 6.1058E+00 -2.0996E+00 O6 3172 15.999400 -0.847600 8.0596E+00 -2.0047E+00 4.5353E+00 H1 3173 1.008000 0.423800 7.3081E+00 -2.1748E+00 3.8979E+00 H2 3174 1.008000 0.423800 8.7530E+00 -2.7177E+00 4.4307E+00 O6 3175 15.999400 -0.847600 -8.1393E-01 5.1124E-01 -8.1860E+00 H1 3176 1.008000 0.423800 -7.1819E-01 1.4819E+00 -8.4068E+00 H2 3177 1.008000 0.423800 -1.4665E+00 4.0293E-01 -7.4360E+00 O6 3178 15.999400 -0.847600 -1.6235E+01 7.4103E+00 -1.0007E+01 H1 3179 1.008000 0.423800 -1.6392E+01 6.4226E+00 -1.0001E+01 H2 3180 1.008000 0.423800 -1.5682E+01 7.6648E+00 -9.2137E+00 O6 3181 15.999400 -0.847600 -7.9508E+00 -1.4517E+01 -5.9717E+00 H1 3182 1.008000 0.423800 -7.7500E+00 -1.5263E+01 -6.6063E+00 H2 3183 1.008000 0.423800 -8.6590E+00 -1.4808E+01 -5.3285E+00 O6 3184 15.999400 -0.847600 1.3827E+01 1.4905E+01 6.7071E+00 H1 3185 1.008000 0.423800 1.3116E+01 1.4451E+01 7.2456E+00 H2 3186 1.008000 0.423800 1.4190E+01 1.4265E+01 6.0293E+00 O6 3187 15.999400 -0.847600 1.2830E+01 8.8889E+00 1.7256E+01 H1 3188 1.008000 0.423800 1.2796E+01 8.9644E+00 1.8252E+01 H2 3189 1.008000 0.423800 1.2051E+01 9.3741E+00 1.6858E+01 O6 3190 15.999400 -0.847600 -1.9473E+01 -9.2568E+00 -1.7244E+01 H1 3191 1.008000 0.423800 1.8964E+01 -9.8883E+00 -1.6837E+01 H2 3192 1.008000 0.423800 1.9354E+01 -9.0523E+00 -1.8185E+01 O6 3193 15.999400 -0.847600 -1.6707E+01 -1.7659E+01 1.0950E+01 H1 3194 1.008000 0.423800 -1.6911E+01 -1.7256E+01 1.1842E+01 H2 3195 1.008000 0.423800 -1.7493E+01 -1.8192E+01 1.0638E+01 O6 3196 15.999400 -0.847600 1.6755E+01 1.3888E+00 1.0810E+01 H1 3197 1.008000 0.423800 1.6061E+01 7.1438E-01 1.1064E+01 H2 3198 1.008000 0.423800 1.6809E+01 1.4526E+00 9.8140E+00 O6 3199 15.999400 -0.847600 1.0665E+01 -4.7044E+00 1.0779E+01 H1 3200 1.008000 0.423800 1.1114E+01 -5.0449E+00 9.9533E+00 H2 3201 1.008000 0.423800 1.0902E+01 -3.7426E+00 1.0916E+01 O6 3202 15.999400 -0.847600 1.4241E+01 -4.2160E+00 1.4553E+01 H1 3203 1.008000 0.423800 1.5236E+01 -4.2558E+00 1.4453E+01 H2 3204 1.008000 0.423800 1.3832E+01 -5.0318E+00 1.4144E+01 O6 3205 15.999400 -0.847600 -1.2967E+01 -7.0272E-01 1.3379E+01 H1 3206 1.008000 0.423800 -1.2203E+01 -1.3125E+00 1.3592E+01 H2 3207 1.008000 0.423800 -1.3486E+01 -1.0748E+00 1.2609E+01 O6 3208 15.999400 -0.847600 3.3214E+00 4.7695E+00 1.6872E+01 H1 3209 1.008000 0.423800 2.5040E+00 4.3288E+00 1.6501E+01 H2 3210 1.008000 0.423800 3.3000E+00 4.7246E+00 1.7871E+01 O6 3211 15.999400 -0.847600 -1.3999E+01 1.5664E+01 -7.6586E+00 H1 3212 1.008000 0.423800 -1.4275E+01 1.5371E+01 -6.7430E+00 H2 3213 1.008000 0.423800 -1.4293E+01 1.6608E+01 -7.8092E+00 O6 3214 15.999400 -0.847600 -1.0843E+01 -1.1761E+01 -3.7533E-01 H1 3215 1.008000 0.423800 -1.1095E+01 -1.1166E+01 -1.1384E+00 H2 3216 1.008000 0.423800 -1.1662E+01 -1.1997E+01 1.4779E-01 O6 3217 15.999400 -0.847600 -1.0464E+01 5.7199E-01 7.5250E+00 H1 3218 1.008000 0.423800 -9.6585E+00 5.0542E-01 6.9357E+00 H2 3219 1.008000 0.423800 -1.1153E+01 1.1461E+00 7.0836E+00 O6 3220 15.999400 -0.847600 2.2279E+00 5.0179E+00 6.4169E+00 H1 3221 1.008000 0.423800 2.0964E+00 4.3973E+00 7.1899E+00 H2 3222 1.008000 0.423800 1.7467E+00 5.8766E+00 6.5934E+00 O6 3223 15.999400 -0.847600 -1.0992E+01 -7.4566E+00 -1.6856E+01 H1 3224 1.008000 0.423800 -1.0471E+01 -7.8181E+00 -1.7629E+01 H2 3225 1.008000 0.423800 -1.1660E+01 -8.1375E+00 -1.6557E+01 O6 3226 15.999400 -0.847600 4.5929E+00 1.1331E+01 5.7126E+00 H1 3227 1.008000 0.423800 4.9689E+00 1.1285E+01 6.6382E+00 H2 3228 1.008000 0.423800 4.5493E+00 1.2286E+01 5.4178E+00 O6 3229 15.999400 -0.847600 5.0296E+00 -1.9204E+00 -7.2037E+00 H1 3230 1.008000 0.423800 5.2519E+00 -9.8567E-01 -7.4810E+00 H2 3231 1.008000 0.423800 4.0942E+00 -2.1373E+00 -7.4830E+00 O6 3232 15.999400 -0.847600 -1.6447E+01 1.6048E+00 1.1449E+01 H1 3233 1.008000 0.423800 -1.5455E+01 1.7356E+00 1.1465E+01 H2 3234 1.008000 0.423800 -1.6806E+01 1.8913E+00 1.0561E+01 O6 3235 15.999400 -0.847600 1.3049E+01 9.6746E+00 -5.6474E+00 H1 3236 1.008000 0.423800 1.3342E+01 8.9835E+00 -4.9863E+00 H2 3237 1.008000 0.423800 1.2058E+01 9.6245E+00 -5.7655E+00 O6 3238 15.999400 -0.847600 -1.5085E+01 -1.7145E+01 -5.9533E+00 H1 3239 1.008000 0.423800 -1.5626E+01 -1.7977E+01 -5.8302E+00 H2 3240 1.008000 0.423800 -1.4995E+01 -1.6947E+01 -6.9294E+00 O6 3241 15.999400 -0.847600 7.1122E+00 1.4031E+01 -9.2560E+00 H1 3242 1.008000 0.423800 7.3001E+00 1.3668E+01 -8.3430E+00 H2 3243 1.008000 0.423800 7.5586E+00 1.3455E+01 -9.9412E+00 O6 3244 15.999400 -0.847600 -1.1240E+01 1.3459E+01 -1.5579E+01 H1 3245 1.008000 0.423800 -1.1812E+01 1.3196E+01 -1.4801E+01 H2 3246 1.008000 0.423800 -1.1820E+01 1.3630E+01 -1.6376E+01 O6 3247 15.999400 -0.847600 6.3025E+00 1.5218E+01 3.8624E+00 H1 3248 1.008000 0.423800 5.8445E+00 1.6054E+01 3.5593E+00 H2 3249 1.008000 0.423800 6.4872E+00 1.4634E+01 3.0721E+00 O6 3250 15.999400 -0.847600 2.0062E+00 1.0857E+01 7.5907E+00 H1 3251 1.008000 0.423800 2.6956E+00 1.0610E+01 6.9099E+00 H2 3252 1.008000 0.423800 2.3671E+00 1.0687E+01 8.5076E+00 O6 3253 15.999400 -0.847600 1.4598E+01 -1.1484E+01 -5.3991E+00 H1 3254 1.008000 0.423800 1.3967E+01 -1.0860E+01 -4.9384E+00 H2 3255 1.008000 0.423800 1.4670E+01 -1.1232E+01 -6.3641E+00 O6 3256 15.999400 -0.847600 1.6256E+01 2.3249E+00 5.1482E+00 H1 3257 1.008000 0.423800 1.6246E+01 2.2226E+00 4.1535E+00 H2 3258 1.008000 0.423800 1.5829E+01 3.1938E+00 5.3983E+00 O6 3259 15.999400 -0.847600 -1.0670E+01 5.5799E+00 1.2926E+01 H1 3260 1.008000 0.423800 -1.0891E+01 6.0770E+00 1.3765E+01 H2 3261 1.008000 0.423800 -1.0236E+01 4.7093E+00 1.3159E+01 O6 3262 15.999400 -0.847600 -4.2989E+00 -1.5853E+01 7.3513E+00 H1 3263 1.008000 0.423800 -3.4007E+00 -1.5534E+01 7.0488E+00 H2 3264 1.008000 0.423800 -4.1892E+00 -1.6460E+01 8.1388E+00 O6 3265 15.999400 -0.847600 -6.7742E+00 2.7022E+00 4.1149E-01 H1 3266 1.008000 0.423800 -6.9380E+00 2.5109E+00 -5.5630E-01 H2 3267 1.008000 0.423800 -7.3863E+00 2.1424E+00 9.7007E-01 O6 3268 15.999400 -0.847600 1.1593E+01 -1.3308E+01 1.0521E+01 H1 3269 1.008000 0.423800 1.2324E+01 -1.2963E+01 1.1110E+01 H2 3270 1.008000 0.423800 1.0919E+01 -1.2585E+01 1.0369E+01 O6 3271 15.999400 -0.847600 -3.4178E+00 -1.8030E+00 1.6453E+01 H1 3272 1.008000 0.423800 -4.3035E+00 -1.6251E+00 1.6882E+01 H2 3273 1.008000 0.423800 -3.0834E+00 -2.7010E+00 1.6739E+01 O6 3274 15.999400 -0.847600 -3.1911E+00 -9.3285E-01 1.3625E+01 H1 3275 1.008000 0.423800 -3.1824E+00 -1.3365E+00 1.4540E+01 H2 3276 1.008000 0.423800 -2.2678E+00 -6.3391E-01 1.3384E+01 O6 3277 15.999400 -0.847600 7.7968E+00 -8.9946E+00 1.8242E+01 H1 3278 1.008000 0.423800 7.3986E+00 -9.5565E+00 1.7517E+01 H2 3279 1.008000 0.423800 8.2732E+00 -9.5826E+00 1.8896E+01 O6 3280 15.999400 -0.847600 -1.2305E+01 4.2523E+00 -1.2466E+01 H1 3281 1.008000 0.423800 -1.2832E+01 3.4742E+00 -1.2807E+01 H2 3282 1.008000 0.423800 -1.2488E+01 5.0540E+00 -1.3035E+01 O6 3283 15.999400 -0.847600 -1.3495E+01 -1.0272E+00 7.0602E+00 H1 3284 1.008000 0.423800 -1.4369E+01 -5.6814E-01 7.2205E+00 H2 3285 1.008000 0.423800 -1.2831E+01 -7.2951E-01 7.7465E+00 O6 3286 15.999400 -0.847600 1.1833E+01 4.5731E+00 -1.8267E+01 H1 3287 1.008000 0.423800 1.1908E+01 4.7028E+00 -1.7278E+01 H2 3288 1.008000 0.423800 1.1372E+01 3.7061E+00 -1.8455E+01 O6 3289 15.999400 -0.847600 2.0445E+00 -1.8357E+01 3.2661E+00 H1 3290 1.008000 0.423800 1.9481E+00 -1.7368E+01 3.1498E+00 H2 3291 1.008000 0.423800 2.5718E+00 -1.8545E+01 4.0947E+00 O6 3292 15.999400 -0.847600 1.6849E+01 1.1311E+01 9.7415E+00 H1 3293 1.008000 0.423800 1.6688E+01 1.1108E+01 8.7757E+00 H2 3294 1.008000 0.423800 1.6271E+01 1.2076E+01 1.0022E+01 O6 3295 15.999400 -0.847600 1.4555E+01 1.4464E+01 -1.4327E+01 H1 3296 1.008000 0.423800 1.4103E+01 1.3573E+01 -1.4365E+01 H2 3297 1.008000 0.423800 1.5326E+01 1.4473E+01 -1.4964E+01 O6 3298 15.999400 -0.847600 -1.5094E+01 -5.9199E+00 -3.4448E+00 H1 3299 1.008000 0.423800 -1.4848E+01 -4.9529E+00 -3.5123E+00 H2 3300 1.008000 0.423800 -1.5041E+01 -6.3413E+00 -4.3501E+00 O6 3301 15.999400 -0.847600 -1.0093E+01 -1.0565E+01 7.7979E+00 H1 3302 1.008000 0.423800 -1.0296E+01 -9.5865E+00 7.7620E+00 H2 3303 1.008000 0.423800 -1.0017E+01 -1.0855E+01 8.7519E+00 O6 3304 15.999400 -0.847600 -7.6228E+00 -1.0479E+01 -1.4944E-01 H1 3305 1.008000 0.423800 -8.2875E+00 -1.0728E+01 -8.5407E-01 H2 3306 1.008000 0.423800 -7.3160E+00 -9.5393E+00 -2.9733E-01 O6 3307 15.999400 -0.847600 2.0854E+00 4.1453E-01 5.6748E+00 H1 3308 1.008000 0.423800 2.4378E+00 9.1377E-01 6.4663E+00 H2 3309 1.008000 0.423800 1.0912E+00 3.3452E-01 5.7468E+00 O6 3310 15.999400 -0.847600 -1.3349E+01 9.1088E+00 -2.4005E+00 H1 3311 1.008000 0.423800 -1.3704E+01 9.8343E+00 -1.8113E+00 H2 3312 1.008000 0.423800 -1.2451E+01 9.3744E+00 -2.7509E+00 O6 3313 15.999400 -0.847600 1.6593E+01 1.2600E+01 1.3303E+01 H1 3314 1.008000 0.423800 1.6556E+01 1.1602E+01 1.3356E+01 H2 3315 1.008000 0.423800 1.5822E+01 1.2989E+01 1.3808E+01 O6 3316 15.999400 -0.847600 -3.8542E+00 -1.8185E+00 -1.8996E+01 H1 3317 1.008000 0.423800 -4.6633E+00 -2.0678E+00 -1.9529E+01 H2 3318 1.008000 0.423800 -3.6629E+00 -2.5350E+00 -1.8326E+01 O6 3319 15.999400 -0.847600 -2.7091E+00 -1.5537E+01 1.6235E+01 H1 3320 1.008000 0.423800 -2.6992E+00 -1.5462E+01 1.5237E+01 H2 3321 1.008000 0.423800 -2.6872E+00 -1.4623E+01 1.6638E+01 O6 3322 15.999400 -0.847600 1.0837E+01 -1.0630E+00 -1.0340E+01 H1 3323 1.008000 0.423800 1.1090E+01 -9.6536E-02 -1.0296E+01 H2 3324 1.008000 0.423800 1.0631E+01 -1.3107E+00 -1.1286E+01 O6 3325 15.999400 -0.847600 1.5245E+01 -3.7482E+00 -3.1928E+00 H1 3326 1.008000 0.423800 1.4439E+01 -3.2028E+00 -3.4210E+00 H2 3327 1.008000 0.423800 1.5081E+01 -4.2459E+00 -2.3412E+00 O6 3328 15.999400 -0.847600 -1.8491E+01 9.5533E+00 1.6312E+01 H1 3329 1.008000 0.423800 -1.7947E+01 9.3457E+00 1.5499E+01 H2 3330 1.008000 0.423800 -1.7886E+01 9.6356E+00 1.7104E+01 O6 3331 15.999400 -0.847600 -8.6273E+00 -1.6346E+00 1.2205E+01 H1 3332 1.008000 0.423800 -8.0016E+00 -1.3571E+00 1.2934E+01 H2 3333 1.008000 0.423800 -9.0635E+00 -8.2421E-01 1.1814E+01 O6 3334 15.999400 -0.847600 -5.8552E+00 2.3588E+00 -1.4450E+01 H1 3335 1.008000 0.423800 -6.4927E+00 2.8052E+00 -1.3822E+01 H2 3336 1.008000 0.423800 -6.3508E+00 2.0428E+00 -1.5259E+01 O6 3337 15.999400 -0.847600 -1.6885E+00 -5.7313E+00 -1.9338E+01 H1 3338 1.008000 0.423800 -1.3132E+00 -5.6590E+00 -1.8414E+01 H2 3339 1.008000 0.423800 -1.8065E+00 -6.6956E+00 1.9522E+01 O6 3340 15.999400 -0.847600 2.2240E+00 4.2811E+00 -6.9719E+00 H1 3341 1.008000 0.423800 1.3889E+00 4.6280E+00 -7.3989E+00 H2 3342 1.008000 0.423800 2.4971E+00 3.4289E+00 -7.4180E+00 O6 3343 15.999400 -0.847600 8.3540E+00 1.9237E+01 -5.4084E+00 H1 3344 1.008000 0.423800 7.6856E+00 -1.9210E+01 -5.0487E+00 H2 3345 1.008000 0.423800 9.2435E+00 -1.9412E+01 -5.4942E+00 O6 3346 15.999400 -0.847600 8.3642E+00 1.6884E+01 -9.8141E+00 H1 3347 1.008000 0.423800 7.6701E+00 1.6197E+01 -1.0030E+01 H2 3348 1.008000 0.423800 8.6030E+00 1.6823E+01 -8.8450E+00 O6 3349 15.999400 -0.847600 1.8942E+01 -1.7196E+01 -1.0111E+01 H1 3350 1.008000 0.423800 1.9060E+01 -1.7370E+01 -1.1089E+01 H2 3351 1.008000 0.423800 1.7969E+01 -1.7225E+01 -9.8825E+00 O6 3352 15.999400 -0.847600 1.3470E+01 -1.7706E+01 1.6573E+01 H1 3353 1.008000 0.423800 1.4181E+01 -1.8248E+01 1.6125E+01 H2 3354 1.008000 0.423800 1.3635E+01 -1.7691E+01 1.7559E+01 O6 3355 15.999400 -0.847600 2.3944E+00 -8.4159E+00 -4.4448E+00 H1 3356 1.008000 0.423800 2.7355E+00 -9.3538E+00 -4.5085E+00 H2 3357 1.008000 0.423800 2.9130E+00 -7.9192E+00 -3.7489E+00 O6 3358 15.999400 -0.847600 1.4129E+00 8.2175E+00 -1.5609E+01 H1 3359 1.008000 0.423800 4.8485E-01 8.2099E+00 -1.5981E+01 H2 3360 1.008000 0.423800 1.8670E+00 7.3539E+00 -1.5828E+01 O6 3361 15.999400 -0.847600 1.8337E+01 2.5548E+00 1.3018E+01 H1 3362 1.008000 0.423800 1.9287E+01 2.2439E+00 1.2991E+01 H2 3363 1.008000 0.423800 1.7877E+01 2.2951E+00 1.2169E+01 O6 3364 15.999400 -0.847600 7.9266E+00 1.2813E+01 -1.1902E+01 H1 3365 1.008000 0.423800 7.9955E+00 1.2268E+01 -1.2738E+01 H2 3366 1.008000 0.423800 7.7684E+00 1.3771E+01 -1.2142E+01 O6 3367 15.999400 -0.847600 1.2536E+01 -6.6943E+00 1.1194E+01 H1 3368 1.008000 0.423800 1.1878E+01 -5.9855E+00 1.1448E+01 H2 3369 1.008000 0.423800 1.2434E+01 -6.9100E+00 1.0223E+01 O6 3370 15.999400 -0.847600 1.3431E+01 -6.9479E+00 -1.7569E+00 H1 3371 1.008000 0.423800 1.3632E+01 -7.5796E+00 -1.0082E+00 H2 3372 1.008000 0.423800 1.3709E+01 -7.3603E+00 -2.6245E+00 O6 3373 15.999400 -0.847600 9.1623E+00 1.2948E+01 4.6312E+00 H1 3374 1.008000 0.423800 9.0161E+00 1.2483E+01 5.5041E+00 H2 3375 1.008000 0.423800 9.1431E+00 1.3938E+01 4.7740E+00 O6 3376 15.999400 -0.847600 -1.2750E+01 3.4751E+00 1.7990E+01 H1 3377 1.008000 0.423800 -1.3525E+01 2.8457E+00 1.7931E+01 H2 3378 1.008000 0.423800 -1.1897E+01 2.9531E+00 1.8006E+01 O6 3379 15.999400 -0.847600 6.9525E+00 5.0160E+00 1.3125E+01 H1 3380 1.008000 0.423800 7.2588E+00 4.7990E+00 1.4052E+01 H2 3381 1.008000 0.423800 6.1234E+00 4.4966E+00 1.2918E+01 O6 3382 15.999400 -0.847600 -2.5297E+00 1.6664E+00 2.7580E-01 H1 3383 1.008000 0.423800 -1.7313E+00 1.1727E+00 -6.8928E-02 H2 3384 1.008000 0.423800 -2.9389E+00 2.1977E+00 -4.6604E-01 O6 3385 15.999400 -0.847600 -1.7064E+01 8.6245E+00 8.7021E+00 H1 3386 1.008000 0.423800 -1.7074E+01 9.5234E+00 8.2640E+00 H2 3387 1.008000 0.423800 -1.7836E+01 8.5523E+00 9.3325E+00 O6 3388 15.999400 -0.847600 1.4968E+01 -2.7538E+00 -1.3085E+01 H1 3389 1.008000 0.423800 1.4625E+01 -3.0934E+00 -1.2209E+01 H2 3390 1.008000 0.423800 1.5643E+01 -2.0340E+00 -1.2922E+01 O6 3391 15.999400 -0.847600 -9.9410E+00 1.0761E+01 1.3636E+00 H1 3392 1.008000 0.423800 -9.1126E+00 1.0989E+01 1.8751E+00 H2 3393 1.008000 0.423800 -9.8172E+00 1.1006E+01 4.0203E-01 O6 3394 15.999400 -0.847600 -1.6147E+01 1.3930E+01 5.1129E+00 H1 3395 1.008000 0.423800 -1.5586E+01 1.4674E+01 4.7504E+00 H2 3396 1.008000 0.423800 -1.5915E+01 1.3078E+01 4.6434E+00 O6 3397 15.999400 -0.847600 -7.6929E+00 1.1972E+00 1.2549E+01 H1 3398 1.008000 0.423800 -7.0835E+00 5.1179E-01 1.2947E+01 H2 3399 1.008000 0.423800 -7.2161E+00 1.6807E+00 1.1814E+01 O6 3400 15.999400 -0.847600 -1.7095E+01 2.9308E+00 -8.9083E+00 H1 3401 1.008000 0.423800 -1.6259E+01 3.4712E+00 -8.8132E+00 H2 3402 1.008000 0.423800 -1.7426E+01 2.9915E+00 -9.8500E+00 O6 3403 15.999400 -0.847600 8.4839E+00 -1.7051E+01 -1.3882E+01 H1 3404 1.008000 0.423800 9.2075E+00 -1.7185E+01 -1.3205E+01 H2 3405 1.008000 0.423800 8.8406E+00 -1.6519E+01 -1.4650E+01 O6 3406 15.999400 -0.847600 1.5350E+01 1.1882E+01 -1.6580E+01 H1 3407 1.008000 0.423800 1.4566E+01 1.1942E+01 -1.5962E+01 H2 3408 1.008000 0.423800 1.5201E+01 1.2483E+01 -1.7365E+01 O6 3409 15.999400 -0.847600 1.5250E+01 -1.3453E+01 4.1748E-01 H1 3410 1.008000 0.423800 1.4730E+01 -1.4120E+01 9.5006E-01 H2 3411 1.008000 0.423800 1.6097E+01 -1.3873E+01 9.2722E-02 O6 3412 15.999400 -0.847600 5.8402E-01 -5.3521E+00 1.1297E+01 H1 3413 1.008000 0.423800 6.3319E-01 -4.4316E+00 1.1684E+01 H2 3414 1.008000 0.423800 -2.5909E-01 -5.7966E+00 1.1599E+01 O6 3415 15.999400 -0.847600 -1.4404E+01 1.3773E+01 1.8161E+01 H1 3416 1.008000 0.423800 -1.4923E+01 1.3076E+01 1.7666E+01 H2 3417 1.008000 0.423800 -1.4653E+01 1.4679E+01 1.7820E+01 O6 3418 15.999400 -0.847600 -1.6599E+01 1.4496E+01 7.6547E+00 H1 3419 1.008000 0.423800 -1.6386E+01 1.4165E+01 6.7356E+00 H2 3420 1.008000 0.423800 -1.6662E+01 1.5494E+01 7.6428E+00 O6 3421 15.999400 -0.847600 9.9956E+00 4.5381E+00 1.7554E+01 H1 3422 1.008000 0.423800 9.3210E+00 3.9932E+00 1.8052E+01 H2 3423 1.008000 0.423800 1.0888E+01 4.4488E+00 1.7996E+01 O6 3424 15.999400 -0.847600 -1.8551E+01 8.1898E+00 1.1176E+01 H1 3425 1.008000 0.423800 -1.8206E+01 9.1208E+00 1.1295E+01 H2 3426 1.008000 0.423800 -1.8980E+01 7.8829E+00 1.2026E+01 O6 3427 15.999400 -0.847600 9.6756E+00 -1.2822E+01 -2.5686E+00 H1 3428 1.008000 0.423800 1.0425E+01 -1.2378E+01 -2.0782E+00 H2 3429 1.008000 0.423800 8.9027E+00 -1.2192E+01 -2.6377E+00 O6 3430 15.999400 -0.847600 -4.1471E+00 -1.8380E+01 -4.4830E+00 H1 3431 1.008000 0.423800 -3.5697E+00 -1.7651E+01 -4.8496E+00 H2 3432 1.008000 0.423800 -4.5719E+00 -1.8880E+01 -5.2378E+00 O6 3433 15.999400 -0.847600 -1.2979E+01 1.8772E+01 -1.3083E+01 H1 3434 1.008000 0.423800 -1.3908E+01 1.8587E+01 -1.2763E+01 H2 3435 1.008000 0.423800 -1.2331E+01 1.8612E+01 -1.2338E+01 O6 3436 15.999400 -0.847600 1.5512E+01 -1.3819E+01 1.4680E+01 H1 3437 1.008000 0.423800 1.4750E+01 -1.4451E+01 1.4821E+01 H2 3438 1.008000 0.423800 1.5167E+01 -1.2961E+01 1.4300E+01 O6 3439 15.999400 -0.847600 -3.9428E+00 1.1264E+01 1.3188E+01 H1 3440 1.008000 0.423800 -3.5571E+00 1.1015E+01 1.4077E+01 H2 3441 1.008000 0.423800 -4.1785E+00 1.2236E+01 1.3187E+01 O6 3442 15.999400 -0.847600 -1.6949E+01 5.7732E+00 1.4447E+01 H1 3443 1.008000 0.423800 -1.7368E+01 4.9447E+00 1.4074E+01 H2 3444 1.008000 0.423800 -1.6475E+01 6.2640E+00 1.3716E+01 O6 3445 15.999400 -0.847600 -4.4230E+00 4.3135E+00 1.9574E-01 H1 3446 1.008000 0.423800 -5.1362E+00 3.7879E+00 6.5966E-01 H2 3447 1.008000 0.423800 -4.8134E+00 5.1621E+00 -1.6137E-01 O6 3448 15.999400 -0.847600 -7.7343E+00 -5.7297E+00 4.1094E+00 H1 3449 1.008000 0.423800 -7.3278E+00 -6.2247E+00 3.3414E+00 H2 3450 1.008000 0.423800 -8.6433E+00 -5.4025E+00 3.8513E+00 O6 3451 15.999400 -0.847600 -8.2154E+00 -1.2778E+01 -8.8389E+00 H1 3452 1.008000 0.423800 -7.5211E+00 -1.3440E+01 -9.1224E+00 H2 3453 1.008000 0.423800 -8.1689E+00 -1.2650E+01 -7.8483E+00 O6 3454 15.999400 -0.847600 6.2732E+00 1.2214E+01 1.5060E+01 H1 3455 1.008000 0.423800 7.2059E+00 1.2561E+01 1.4963E+01 H2 3456 1.008000 0.423800 6.0414E+00 1.2148E+01 1.6031E+01 O6 3457 15.999400 -0.847600 -1.1718E+01 8.6913E+00 -8.3110E+00 H1 3458 1.008000 0.423800 -1.1799E+01 9.6737E+00 -8.1424E+00 H2 3459 1.008000 0.423800 -1.1174E+01 8.5385E+00 -9.1361E+00 O6 3460 15.999400 -0.847600 -5.8027E+00 -5.2542E+00 9.0144E+00 H1 3461 1.008000 0.423800 -6.3730E+00 -4.7502E+00 9.6630E+00 H2 3462 1.008000 0.423800 -6.1005E+00 -5.0517E+00 8.0814E+00 O6 3463 15.999400 -0.847600 1.3248E+01 -2.9603E+00 4.2189E+00 H1 3464 1.008000 0.423800 1.2827E+01 -2.7284E+00 5.0955E+00 H2 3465 1.008000 0.423800 1.3080E+01 -2.2244E+00 3.5631E+00 O6 3466 15.999400 -0.847600 -6.3340E+00 -1.3764E+01 1.1195E+01 H1 3467 1.008000 0.423800 -5.5327E+00 -1.3858E+01 1.1786E+01 H2 3468 1.008000 0.423800 -6.0381E+00 -1.3552E+01 1.0264E+01 O6 3469 15.999400 -0.847600 -1.1316E+01 6.4808E+00 1.5364E+01 H1 3470 1.008000 0.423800 -1.1288E+01 7.3702E+00 1.5820E+01 H2 3471 1.008000 0.423800 -1.2203E+01 6.0496E+00 1.5529E+01 O6 3472 15.999400 -0.847600 -1.0967E+01 7.7299E+00 5.3113E+00 H1 3473 1.008000 0.423800 -1.0113E+01 7.2281E+00 5.4496E+00 H2 3474 1.008000 0.423800 -1.1555E+01 7.6143E+00 6.1119E+00 O6 3475 15.999400 -0.847600 -4.8025E+00 1.4056E+01 1.2741E+01 H1 3476 1.008000 0.423800 -5.6566E+00 1.3908E+01 1.2242E+01 H2 3477 1.008000 0.423800 -4.1412E+00 1.4509E+01 1.2143E+01 O6 3478 15.999400 -0.847600 -1.0547E+01 -5.5657E+00 1.8414E+01 H1 3479 1.008000 0.423800 -1.0495E+01 -6.5156E+00 1.8106E+01 H2 3480 1.008000 0.423800 -1.1139E+01 -5.0471E+00 1.7798E+01 O6 3481 15.999400 -0.847600 1.6613E+00 1.5643E+01 -9.7523E+00 H1 3482 1.008000 0.423800 1.1366E+00 1.6425E+01 -9.4176E+00 H2 3483 1.008000 0.423800 2.5935E+00 1.5688E+01 -9.3932E+00 O6 3484 15.999400 -0.847600 -2.4119E+00 -6.9119E+00 5.0399E+00 H1 3485 1.008000 0.423800 -2.2331E+00 -5.9320E+00 5.1292E+00 H2 3486 1.008000 0.423800 -3.3921E+00 -7.0823E+00 5.1410E+00 O6 3487 15.999400 -0.847600 -1.3044E+01 -1.2334E+01 1.3996E+00 H1 3488 1.008000 0.423800 -1.3952E+01 -1.1920E+01 1.3433E+00 H2 3489 1.008000 0.423800 -1.2675E+01 -1.2205E+01 2.3201E+00 O6 3490 15.999400 -0.847600 -1.6689E+01 1.4657E+01 3.7564E-01 H1 3491 1.008000 0.423800 -1.7509E+01 1.4539E+01 9.3530E-01 H2 3492 1.008000 0.423800 -1.5969E+01 1.4047E+01 7.0657E-01 O6 3493 15.999400 -0.847600 -1.4216E+00 -1.5362E+01 -2.5797E-01 H1 3494 1.008000 0.423800 -1.8801E+00 -1.5283E+01 -1.1432E+00 H2 3495 1.008000 0.423800 -1.9795E+00 -1.5917E+01 3.5835E-01 O6 3496 15.999400 -0.847600 -3.6184E+00 6.2472E+00 -1.2463E+01 H1 3497 1.008000 0.423800 -3.7484E+00 5.7873E+00 -1.3341E+01 H2 3498 1.008000 0.423800 -4.2173E+00 7.0464E+00 -1.2413E+01 O6 3499 15.999400 -0.847600 1.7816E+01 1.7281E+01 -1.1596E+01 H1 3500 1.008000 0.423800 1.8797E+01 1.7170E+01 -1.1755E+01 H2 3501 1.008000 0.423800 1.7321E+01 1.7141E+01 -1.2453E+01 O6 3502 15.999400 -0.847600 2.0726E+00 -5.2762E+00 -9.4625E+00 H1 3503 1.008000 0.423800 2.8426E+00 -5.8709E+00 -9.6941E+00 H2 3504 1.008000 0.423800 1.6356E+00 -4.9546E+00 -1.0302E+01 O6 3505 15.999400 -0.847600 1.2976E+01 -1.4575E+01 -1.6678E+01 H1 3506 1.008000 0.423800 1.2562E+01 -1.5252E+01 -1.7287E+01 H2 3507 1.008000 0.423800 1.3571E+01 -1.5038E+01 -1.6021E+01 O6 3508 15.999400 -0.847600 -1.7501E+01 1.5278E+01 1.3969E+01 H1 3509 1.008000 0.423800 -1.7561E+01 1.4781E+01 1.3104E+01 H2 3510 1.008000 0.423800 -1.7319E+01 1.4634E+01 1.4712E+01 O6 3511 15.999400 -0.847600 -1.7807E+00 -7.6872E+00 7.9737E+00 H1 3512 1.008000 0.423800 -1.8673E+00 -8.1687E+00 7.1015E+00 H2 3513 1.008000 0.423800 -8.9713E-01 -7.2203E+00 8.0103E+00 O6 3514 15.999400 -0.847600 -1.7250E+01 -9.8472E-01 1.1063E+01 H1 3515 1.008000 0.423800 -1.7347E+01 -1.4691E+00 1.1933E+01 H2 3516 1.008000 0.423800 -1.6919E+01 -5.6864E-02 1.1234E+01 O6 3517 15.999400 -0.847600 2.4124E+00 9.8764E+00 -1.6286E+00 H1 3518 1.008000 0.423800 1.6995E+00 9.1762E+00 -1.5895E+00 H2 3519 1.008000 0.423800 2.8267E+00 9.9811E+00 -7.2453E-01 O6 3520 15.999400 -0.847600 -1.9425E+01 6.0089E+00 7.3374E+00 H1 3521 1.008000 0.423800 1.9546E+01 6.8055E+00 7.9285E+00 H2 3522 1.008000 0.423800 1.9049E+01 5.2807E+00 7.6214E+00 O6 3523 15.999400 -0.847600 -1.5540E+01 1.1417E+01 1.6680E+01 H1 3524 1.008000 0.423800 -1.5769E+01 1.0806E+01 1.7438E+01 H2 3525 1.008000 0.423800 -1.5035E+01 1.0908E+01 1.5983E+01 O6 3526 15.999400 -0.847600 -1.4129E+01 1.0820E+00 -9.5021E+00 H1 3527 1.008000 0.423800 -1.3732E+01 1.9128E+00 -9.1117E+00 H2 3528 1.008000 0.423800 -1.3520E+01 3.0793E-01 -9.3269E+00 O6 3529 15.999400 -0.847600 1.7315E+00 -1.5086E+00 -1.6382E+01 H1 3530 1.008000 0.423800 8.4792E-01 -1.9345E+00 -1.6577E+01 H2 3531 1.008000 0.423800 1.8289E+00 -1.3792E+00 -1.5395E+01 O6 3532 15.999400 -0.847600 4.8887E+00 1.5549E+01 9.0410E+00 H1 3533 1.008000 0.423800 5.4637E+00 1.6193E+01 8.5366E+00 H2 3534 1.008000 0.423800 4.6199E+00 1.5956E+01 9.9142E+00 O6 3535 15.999400 -0.847600 -7.7994E+00 1.0370E+01 3.0640E+00 H1 3536 1.008000 0.423800 -7.8506E+00 9.8824E+00 3.9357E+00 H2 3537 1.008000 0.423800 -7.0715E+00 1.1054E+01 3.1072E+00 O6 3538 15.999400 -0.847600 -1.8180E+01 -8.0680E+00 -1.0825E+01 H1 3539 1.008000 0.423800 -1.8070E+01 -8.6522E+00 -1.1629E+01 H2 3540 1.008000 0.423800 -1.8754E+01 -8.5327E+00 -1.0151E+01 O6 3541 15.999400 -0.847600 1.5536E+01 1.5605E+01 8.8641E+00 H1 3542 1.008000 0.423800 1.5666E+01 1.4901E+01 9.5616E+00 H2 3543 1.008000 0.423800 1.4806E+01 1.5326E+01 8.2399E+00 O6 3544 15.999400 -0.847600 2.6709E+00 -1.7477E+01 -1.6573E+00 H1 3545 1.008000 0.423800 3.5801E+00 -1.7367E+01 -1.2556E+00 H2 3546 1.008000 0.423800 2.0050E+00 -1.6958E+01 -1.1219E+00 O6 3547 15.999400 -0.847600 1.4170E+01 1.7520E+01 4.5763E+00 H1 3548 1.008000 0.423800 1.4929E+01 1.6900E+01 4.7782E+00 H2 3549 1.008000 0.423800 1.4520E+01 1.8340E+01 4.1245E+00 O6 3550 15.999400 -0.847600 -5.5823E+00 -1.7410E+01 5.0477E+00 H1 3551 1.008000 0.423800 -4.6883E+00 -1.7712E+01 4.7161E+00 H2 3552 1.008000 0.423800 -5.4592E+00 -1.6802E+01 5.8320E+00 O6 3553 15.999400 -0.847600 -2.5091E+00 -4.2637E+00 5.5943E+00 H1 3554 1.008000 0.423800 -3.4427E+00 -3.9951E+00 5.3573E+00 H2 3555 1.008000 0.423800 -2.4820E+00 -4.5711E+00 6.5455E+00 O6 3556 15.999400 -0.847600 -2.8600E-01 -1.7274E+01 1.2579E+01 H1 3557 1.008000 0.423800 1.7412E-02 -1.6582E+01 1.1924E+01 H2 3558 1.008000 0.423800 -1.4058E-01 -1.6939E+01 1.3510E+01 O6 3559 15.999400 -0.847600 1.0912E+01 -5.2130E+00 -1.2963E+01 H1 3560 1.008000 0.423800 1.0990E+01 -5.8116E+00 -1.2165E+01 H2 3561 1.008000 0.423800 1.1696E+01 -5.3594E+00 -1.3567E+01 O6 3562 15.999400 -0.847600 -8.0723E-01 -3.7955E-01 -7.4907E-01 H1 3563 1.008000 0.423800 -1.9357E-01 -1.4738E-01 -1.5038E+00 H2 3564 1.008000 0.423800 -2.8890E-01 -8.3764E-01 -2.6950E-02 O6 3565 15.999400 -0.847600 -2.7176E+00 1.5396E+01 6.5163E+00 H1 3566 1.008000 0.423800 -2.1410E+00 1.5514E+01 5.7079E+00 H2 3567 1.008000 0.423800 -2.9196E+00 1.4424E+01 6.6423E+00 O6 3568 15.999400 -0.847600 1.4080E+01 -2.7608E+00 -1.8130E+01 H1 3569 1.008000 0.423800 1.3971E+01 -1.8883E+00 -1.8607E+01 H2 3570 1.008000 0.423800 1.3778E+01 -2.6624E+00 -1.7182E+01 O6 3571 15.999400 -0.847600 -1.3230E+01 -5.6566E+00 -5.6576E+00 H1 3572 1.008000 0.423800 -1.3350E+01 -4.6742E+00 -5.5138E+00 H2 3573 1.008000 0.423800 -1.2901E+01 -5.8195E+00 -6.5877E+00 O6 3574 15.999400 -0.847600 -1.2687E+01 1.4687E+00 -1.6345E+01 H1 3575 1.008000 0.423800 -1.1988E+01 7.7288E-01 -1.6510E+01 H2 3576 1.008000 0.423800 -1.3592E+01 1.0446E+00 -1.6373E+01 O6 3577 15.999400 -0.847600 -1.3987E+01 -1.0260E+01 5.3583E+00 H1 3578 1.008000 0.423800 -1.3345E+01 -1.0160E+01 4.5982E+00 H2 3579 1.008000 0.423800 -1.4376E+01 -9.3667E+00 5.5859E+00 O6 3580 15.999400 -0.847600 -1.0541E+01 7.0322E+00 -6.6516E+00 H1 3581 1.008000 0.423800 -1.0235E+01 6.1570E+00 -7.0260E+00 H2 3582 1.008000 0.423800 -1.0806E+01 7.6405E+00 -7.3999E+00 O6 3583 15.999400 -0.847600 -1.8665E+01 9.6852E+00 -4.7154E+00 H1 3584 1.008000 0.423800 -1.8586E+01 1.0319E+01 -5.4851E+00 H2 3585 1.008000 0.423800 -1.7870E+01 9.0775E+00 -4.7016E+00 O6 3586 15.999400 -0.847600 -3.8158E+00 1.1428E+01 -7.5404E+00 H1 3587 1.008000 0.423800 -3.0600E+00 1.1650E+01 -8.1566E+00 H2 3588 1.008000 0.423800 -3.5427E+00 1.1616E+01 -6.5969E+00 O6 3589 15.999400 -0.847600 6.3451E+00 1.8334E+00 1.6076E+01 H1 3590 1.008000 0.423800 5.4068E+00 1.5070E+00 1.6190E+01 H2 3591 1.008000 0.423800 6.8945E+00 1.1212E+00 1.5639E+01 O6 3592 15.999400 -0.847600 1.6623E+01 -4.9143E+00 -8.7448E+00 H1 3593 1.008000 0.423800 1.6597E+01 -5.3774E+00 -9.6307E+00 H2 3594 1.008000 0.423800 1.7560E+01 -4.9177E+00 -8.3949E+00 O6 3595 15.999400 -0.847600 -1.1933E+01 -6.3239E+00 -1.9065E+00 H1 3596 1.008000 0.423800 -1.1468E+01 -6.8578E+00 -1.2002E+00 H2 3597 1.008000 0.423800 -1.2369E+01 -6.9433E+00 -2.5592E+00 O6 3598 15.999400 -0.847600 -1.2756E+01 -4.3459E+00 -1.1429E+01 H1 3599 1.008000 0.423800 -1.1808E+01 -4.1404E+00 -1.1189E+01 H2 3600 1.008000 0.423800 -1.3369E+01 -3.7578E+00 -1.0901E+01 O6 3601 15.999400 -0.847600 1.6631E+01 -1.5408E+01 -4.0624E+00 H1 3602 1.008000 0.423800 1.5655E+01 -1.5604E+01 -4.1636E+00 H2 3603 1.008000 0.423800 1.6767E+01 -1.4421E+01 -3.9853E+00 O6 3604 15.999400 -0.847600 1.5330E+01 1.6883E+01 -1.3751E+01 H1 3605 1.008000 0.423800 1.6305E+01 1.6760E+01 -1.3938E+01 H2 3606 1.008000 0.423800 1.4892E+01 1.5989E+01 -1.3661E+01 O6 3607 15.999400 -0.847600 4.3717E+00 -2.0938E+00 7.3481E+00 H1 3608 1.008000 0.423800 3.9460E+00 -2.7984E+00 7.9159E+00 H2 3609 1.008000 0.423800 4.0888E+00 -1.1903E+00 7.6702E+00 O6 3610 15.999400 -0.847600 -1.5612E+01 1.6658E+01 -1.0346E+00 H1 3611 1.008000 0.423800 -1.6084E+01 1.5915E+01 -5.6105E-01 H2 3612 1.008000 0.423800 -1.4964E+01 1.6275E+01 -1.6927E+00 O6 3613 15.999400 -0.847600 -1.8796E+01 8.8455E+00 4.0215E+00 H1 3614 1.008000 0.423800 -1.8959E+01 9.6857E+00 4.5387E+00 H2 3615 1.008000 0.423800 -1.8262E+01 8.2097E+00 4.5787E+00 O6 3616 15.999400 -0.847600 -6.4459E+00 1.3217E+01 -8.7686E+00 H1 3617 1.008000 0.423800 -5.4656E+00 1.3081E+01 -8.9119E+00 H2 3618 1.008000 0.423800 -6.8354E+00 1.3691E+01 -9.5580E+00 O6 3619 15.999400 -0.847600 -9.7741E+00 1.6724E+01 -1.0538E+01 H1 3620 1.008000 0.423800 -8.9809E+00 1.6983E+01 -9.9869E+00 H2 3621 1.008000 0.423800 -1.0229E+01 1.7549E+01 -1.0874E+01 O6 3622 15.999400 -0.847600 -1.0250E+01 -1.5058E+01 1.2189E+01 H1 3623 1.008000 0.423800 -9.7725E+00 -1.5933E+01 1.2259E+01 H2 3624 1.008000 0.423800 -1.1228E+01 -1.5198E+01 1.2344E+01 O6 3625 15.999400 -0.847600 1.0455E+01 -1.8118E+01 -1.2403E+01 H1 3626 1.008000 0.423800 1.1298E+01 -1.8439E+01 -1.2837E+01 H2 3627 1.008000 0.423800 9.9820E+00 -1.8893E+01 -1.1983E+01 O6 3628 15.999400 -0.847600 -2.0722E+00 -1.1998E+01 -3.4271E+00 H1 3629 1.008000 0.423800 -1.9314E+00 -1.1875E+01 -4.4094E+00 H2 3630 1.008000 0.423800 -1.5087E+00 -1.1343E+01 -2.9247E+00 O6 3631 15.999400 -0.847600 1.5471E+01 -9.8962E+00 4.6450E+00 H1 3632 1.008000 0.423800 1.5994E+01 -1.0699E+01 4.3578E+00 H2 3633 1.008000 0.423800 1.4542E+01 -1.0174E+01 4.8901E+00 O6 3634 15.999400 -0.847600 7.4312E+00 6.3072E+00 1.0680E+01 H1 3635 1.008000 0.423800 7.2352E+00 5.7875E+00 1.1512E+01 H2 3636 1.008000 0.423800 6.9547E+00 5.8900E+00 9.9065E+00 O6 3637 15.999400 -0.847600 5.6200E+00 -8.5614E+00 1.4175E+01 H1 3638 1.008000 0.423800 5.5915E+00 -7.5889E+00 1.4406E+01 H2 3639 1.008000 0.423800 5.0437E+00 -9.0725E+00 1.4813E+01 O6 3640 15.999400 -0.847600 3.2563E+00 1.8513E+00 7.6665E+00 H1 3641 1.008000 0.423800 2.6799E+00 2.4474E+00 8.2255E+00 H2 3642 1.008000 0.423800 4.1260E+00 1.6944E+00 8.1345E+00 O6 3643 15.999400 -0.847600 1.1503E+01 1.4375E+01 -2.0833E+00 H1 3644 1.008000 0.423800 1.0840E+01 1.3695E+01 -2.3979E+00 H2 3645 1.008000 0.423800 1.1504E+01 1.5154E+01 -2.7109E+00 O6 3646 15.999400 -0.847600 3.6313E+00 -1.6302E+01 -1.7211E+01 H1 3647 1.008000 0.423800 3.9728E+00 -1.7198E+01 -1.6928E+01 H2 3648 1.008000 0.423800 2.8098E+00 -1.6419E+01 -1.7769E+01 O6 3649 15.999400 -0.847600 1.9337E+01 -1.5000E+01 -4.2321E+00 H1 3650 1.008000 0.423800 1.8407E+01 -1.5365E+01 -4.1877E+00 H2 3651 1.008000 0.423800 1.9441E+01 -1.4271E+01 -3.5557E+00 O6 3652 15.999400 -0.847600 -8.1914E+00 -1.6415E+01 7.2640E+00 H1 3653 1.008000 0.423800 -9.1028E+00 -1.6643E+01 7.6062E+00 H2 3654 1.008000 0.423800 -8.2633E+00 -1.6074E+01 6.3266E+00 O6 3655 15.999400 -0.847600 -2.5110E+00 -1.2731E+01 8.8428E+00 H1 3656 1.008000 0.423800 -2.0142E+00 -1.3599E+01 8.8214E+00 H2 3657 1.008000 0.423800 -2.2624E+00 -1.2225E+01 9.6688E+00 O6 3658 15.999400 -0.847600 1.1909E+01 1.5144E+01 1.4569E+01 H1 3659 1.008000 0.423800 1.1324E+01 1.5504E+01 1.5296E+01 H2 3660 1.008000 0.423800 1.1923E+01 1.5786E+01 1.3802E+01 O6 3661 15.999400 -0.847600 1.1292E+01 -1.9516E+01 1.6237E+01 H1 3662 1.008000 0.423800 1.2190E+01 -1.9079E+01 1.6295E+01 H2 3663 1.008000 0.423800 1.0578E+01 -1.8822E+01 1.6327E+01 O6 3664 15.999400 -0.847600 -1.1508E+00 3.3887E+00 -1.4102E+01 H1 3665 1.008000 0.423800 -5.8721E-01 3.8098E+00 -1.3392E+01 H2 3666 1.008000 0.423800 -6.5597E-01 2.6206E+00 -1.4509E+01 O6 3667 15.999400 -0.847600 1.4323E+01 -1.0616E+01 1.0667E+01 H1 3668 1.008000 0.423800 1.5001E+01 -1.0101E+01 1.1190E+01 H2 3669 1.008000 0.423800 1.3995E+01 -1.1386E+01 1.1213E+01 O6 3670 15.999400 -0.847600 1.0412E+01 1.6462E+01 1.6555E+01 H1 3671 1.008000 0.423800 9.5220E+00 1.6871E+01 1.6758E+01 H2 3672 1.008000 0.423800 1.1063E+01 1.7183E+01 1.6315E+01 O6 3673 15.999400 -0.847600 8.0094E+00 1.8368E+01 -1.3615E+01 H1 3674 1.008000 0.423800 8.4414E+00 1.8019E+01 -1.4446E+01 H2 3675 1.008000 0.423800 8.6883E+00 1.8856E+01 -1.3067E+01 O6 3676 15.999400 -0.847600 1.8684E+01 1.7383E+00 1.1710E+00 H1 3677 1.008000 0.423800 1.9464E+01 2.0475E+00 1.7154E+00 H2 3678 1.008000 0.423800 1.8448E+01 2.4397E+00 4.9852E-01 O6 3679 15.999400 -0.847600 -1.7931E+01 1.9487E+01 -2.8198E+00 H1 3680 1.008000 0.423800 -1.7088E+01 1.9397E+01 -2.2897E+00 H2 3681 1.008000 0.423800 -1.8501E+01 -1.8893E+01 -2.4199E+00 O6 3682 15.999400 -0.847600 -1.8599E+01 -1.4236E+01 1.1059E+00 H1 3683 1.008000 0.423800 -1.8834E+01 -1.4769E+01 1.9188E+00 H2 3684 1.008000 0.423800 -1.9400E+01 -1.3723E+01 7.9973E-01 O6 3685 15.999400 -0.847600 -1.2615E+01 3.1185E+00 -8.4221E+00 H1 3686 1.008000 0.423800 -1.2784E+01 3.2834E+00 -7.4504E+00 H2 3687 1.008000 0.423800 -1.2624E+01 3.9889E+00 -8.9144E+00 O6 3688 15.999400 -0.847600 9.1584E-01 5.6025E+00 -9.2332E+00 H1 3689 1.008000 0.423800 -7.5321E-05 6.0016E+00 -9.1897E+00 H2 3690 1.008000 0.423800 1.5976E+00 6.3132E+00 -9.0598E+00 O6 3691 15.999400 -0.847600 -9.4672E+00 1.0574E+01 -6.4403E+00 H1 3692 1.008000 0.423800 -8.9336E+00 1.0645E+01 -7.2830E+00 H2 3693 1.008000 0.423800 -1.0437E+01 1.0699E+01 -6.6485E+00 O6 3694 15.999400 -0.847600 1.2983E+00 1.5284E+01 -1.6561E+01 H1 3695 1.008000 0.423800 1.1775E+00 1.5011E+01 -1.7516E+01 H2 3696 1.008000 0.423800 2.1879E+00 1.5727E+01 -1.6451E+01 O6 3697 15.999400 -0.847600 1.2260E+01 1.6234E+00 1.2440E+01 H1 3698 1.008000 0.423800 1.3181E+01 1.8733E+00 1.2739E+01 H2 3699 1.008000 0.423800 1.1748E+01 2.4513E+00 1.2212E+01 O6 3700 15.999400 -0.847600 1.7747E+01 1.0370E+01 1.7163E+00 H1 3701 1.008000 0.423800 1.7510E+01 9.5979E+00 1.1262E+00 H2 3702 1.008000 0.423800 1.8458E+01 1.0919E+01 1.2772E+00 O6 3703 15.999400 -0.847600 4.9074E-01 -1.5397E+01 1.0654E+01 H1 3704 1.008000 0.423800 -1.1678E-01 -1.5208E+01 9.8826E+00 H2 3705 1.008000 0.423800 1.1368E+00 -1.6117E+01 1.0401E+01 O6 3706 15.999400 -0.847600 -1.0329E+01 -1.0945E+01 1.0755E+01 H1 3707 1.008000 0.423800 -1.0003E+01 -1.1605E+01 1.1432E+01 H2 3708 1.008000 0.423800 -1.1293E+01 -1.1121E+01 1.0554E+01 O6 3709 15.999400 -0.847600 -8.3257E+00 1.2883E+01 4.8606E+00 H1 3710 1.008000 0.423800 -7.8491E+00 1.3262E+01 5.6541E+00 H2 3711 1.008000 0.423800 -8.7329E+00 1.2003E+01 5.1050E+00 O6 3712 15.999400 -0.847600 -2.4531E-01 -1.8296E+01 -1.6939E+01 H1 3713 1.008000 0.423800 7.0551E-01 -1.8139E+01 -1.6672E+01 H2 3714 1.008000 0.423800 -4.4857E-01 -1.9274E+01 -1.6887E+01 O6 3715 15.999400 -0.847600 -5.8176E+00 1.7924E+01 8.2206E+00 H1 3716 1.008000 0.423800 -6.5932E+00 1.7376E+01 8.5346E+00 H2 3717 1.008000 0.423800 -6.0123E+00 1.8286E+01 7.3089E+00 O6 3718 15.999400 -0.847600 3.2008E+00 6.6870E+00 1.2121E+01 H1 3719 1.008000 0.423800 3.4286E+00 7.1052E+00 1.1241E+01 H2 3720 1.008000 0.423800 2.9135E+00 5.7404E+00 1.1975E+01 O6 3721 15.999400 -0.847600 1.1556E+01 -1.8639E+01 -4.0272E-01 H1 3722 1.008000 0.423800 1.2430E+01 -1.8960E+01 -3.9340E-02 H2 3723 1.008000 0.423800 1.1722E+01 -1.7986E+01 -1.1416E+00 O6 3724 15.999400 -0.847600 -4.5055E+00 -9.0186E+00 7.1837E+00 H1 3725 1.008000 0.423800 -4.6093E+00 -8.2235E+00 6.5862E+00 H2 3726 1.008000 0.423800 -4.6779E+00 -9.8533E+00 6.6608E+00 O6 3727 15.999400 -0.847600 -6.5339E+00 -6.7192E+00 -1.5938E+01 H1 3728 1.008000 0.423800 -6.0688E+00 -5.9849E+00 -1.5443E+01 H2 3729 1.008000 0.423800 -7.5227E+00 -6.6244E+00 -1.5822E+01 O6 3730 15.999400 -0.847600 1.3197E+01 1.8821E+00 1.6686E+01 H1 3731 1.008000 0.423800 1.2826E+01 2.5738E+00 1.7306E+01 H2 3732 1.008000 0.423800 1.3463E+01 2.3146E+00 1.5825E+01 O6 3733 15.999400 -0.847600 -1.2931E+01 -1.3667E+01 -2.5897E+00 H1 3734 1.008000 0.423800 -1.3489E+01 -1.4353E+01 -3.0565E+00 H2 3735 1.008000 0.423800 -1.2115E+01 -1.3473E+01 -3.1347E+00 O6 3736 15.999400 -0.847600 1.7769E+01 9.5219E+00 6.2303E+00 H1 3737 1.008000 0.423800 1.8634E+01 1.0003E+01 6.0858E+00 H2 3738 1.008000 0.423800 1.7793E+01 9.0497E+00 7.1115E+00 O6 3739 15.999400 -0.847600 1.7088E+01 -1.6848E+01 -8.7802E-01 H1 3740 1.008000 0.423800 1.7053E+01 -1.7247E+01 3.8531E-02 H2 3741 1.008000 0.423800 1.6558E+01 -1.7416E+01 -1.5083E+00 O6 3742 15.999400 -0.847600 8.2384E+00 -6.0433E+00 1.0951E+01 H1 3743 1.008000 0.423800 7.5440E+00 -5.6634E+00 1.0340E+01 H2 3744 1.008000 0.423800 9.0655E+00 -5.4832E+00 1.0905E+01 O6 3745 15.999400 -0.847600 -1.1263E+01 -8.1997E+00 7.0437E+00 H1 3746 1.008000 0.423800 -1.2043E+01 -7.7570E+00 6.6006E+00 H2 3747 1.008000 0.423800 -1.0559E+01 -7.5171E+00 7.2393E+00 O6 3748 15.999400 -0.847600 2.9039E+00 2.6514E+00 -1.5279E+01 H1 3749 1.008000 0.423800 3.4626E+00 2.2745E+00 -1.6018E+01 H2 3750 1.008000 0.423800 3.2797E+00 2.3650E+00 -1.4398E+01 O6 3751 15.999400 -0.847600 -1.0127E+01 1.0532E+01 5.3801E+00 H1 3752 1.008000 0.423800 -1.0309E+01 1.0671E+01 6.3534E+00 H2 3753 1.008000 0.423800 -9.4513E+00 9.8032E+00 5.2685E+00 O6 3754 15.999400 -0.847600 1.4411E+01 5.1969E+00 1.2682E+01 H1 3755 1.008000 0.423800 1.3933E+01 6.0618E+00 1.2835E+01 H2 3756 1.008000 0.423800 1.5367E+01 5.2901E+00 1.2962E+01 O6 3757 15.999400 -0.847600 -1.3458E+01 -6.4129E+00 9.8952E+00 H1 3758 1.008000 0.423800 -1.3596E+01 -7.3826E+00 9.6930E+00 H2 3759 1.008000 0.423800 -1.3174E+01 -6.3083E+00 1.0848E+01 O6 3760 15.999400 -0.847600 1.6973E+01 1.6200E+01 2.8870E+00 H1 3761 1.008000 0.423800 1.6586E+01 1.5473E+01 2.3210E+00 H2 3762 1.008000 0.423800 1.6626E+01 1.6116E+01 3.8211E+00 O6 3763 15.999400 -0.847600 -1.0942E+01 -1.7164E+01 -7.7797E+00 H1 3764 1.008000 0.423800 -1.0698E+01 -1.8133E+01 -7.7891E+00 H2 3765 1.008000 0.423800 -1.0665E+01 -1.6758E+01 -6.9088E+00 O6 3766 15.999400 -0.847600 9.3049E+00 5.7643E+00 5.7965E+00 H1 3767 1.008000 0.423800 8.7351E+00 6.5560E+00 5.5758E+00 H2 3768 1.008000 0.423800 9.2827E+00 5.6024E+00 6.7830E+00 O6 3769 15.999400 -0.847600 4.0562E+00 3.7827E+00 1.6664E+00 H1 3770 1.008000 0.423800 3.5666E+00 3.5443E+00 2.5051E+00 H2 3771 1.008000 0.423800 3.5095E+00 3.5133E+00 8.7348E-01 O6 3772 15.999400 -0.847600 1.8893E+01 1.1609E+01 1.5959E+01 H1 3773 1.008000 0.423800 1.9442E+01 1.0844E+01 1.6294E+01 H2 3774 1.008000 0.423800 1.9186E+01 1.1849E+01 1.5034E+01 O6 3775 15.999400 -0.847600 -1.0026E+01 2.2008E+00 -8.0179E+00 H1 3776 1.008000 0.423800 -9.4727E+00 1.5944E+00 -8.5890E+00 H2 3777 1.008000 0.423800 -1.0937E+01 2.2963E+00 -8.4184E+00 O6 3778 15.999400 -0.847600 4.6783E+00 -1.2628E+01 1.6402E+01 H1 3779 1.008000 0.423800 4.6910E+00 -1.3551E+01 1.6015E+01 H2 3780 1.008000 0.423800 4.4369E+00 -1.2676E+01 1.7371E+01 O6 3781 15.999400 -0.847600 4.0889E+00 -3.2403E+00 -6.4374E-02 H1 3782 1.008000 0.423800 4.4007E+00 -2.5448E+00 -7.1173E-01 H2 3783 1.008000 0.423800 3.5227E+00 -2.8108E+00 6.3915E-01 O6 3784 15.999400 -0.847600 -1.2391E+01 -7.9367E+00 -4.4643E+00 H1 3785 1.008000 0.423800 -1.2869E+01 -7.1238E+00 -4.7969E+00 H2 3786 1.008000 0.423800 -1.1502E+01 -8.0090E+00 -4.9170E+00 O6 3787 15.999400 -0.847600 -1.4056E+01 1.5539E+01 2.4719E+00 H1 3788 1.008000 0.423800 -1.4195E+01 1.4907E+01 1.7096E+00 H2 3789 1.008000 0.423800 -1.4943E+01 1.5821E+01 2.8370E+00 O6 3790 15.999400 -0.847600 -8.0246E+00 3.8682E+00 8.5590E+00 H1 3791 1.008000 0.423800 -8.2400E+00 3.6834E+00 7.6001E+00 H2 3792 1.008000 0.423800 -8.8185E+00 4.2811E+00 9.0053E+00 O6 3793 15.999400 -0.847600 -1.4741E+01 -3.4309E+00 1.9324E+01 H1 3794 1.008000 0.423800 -1.3930E+01 -3.1142E+00 -1.9282E+01 H2 3795 1.008000 0.423800 -1.4755E+01 -4.4307E+00 1.9314E+01 O6 3796 15.999400 -0.847600 -2.1023E+00 1.0174E+01 1.5934E+01 H1 3797 1.008000 0.423800 -2.8697E+00 1.0681E+01 1.6326E+01 H2 3798 1.008000 0.423800 -2.4095E+00 9.2617E+00 1.5662E+01 O6 3799 15.999400 -0.847600 3.9392E+00 -6.2603E+00 3.3214E+00 H1 3800 1.008000 0.423800 3.7055E+00 -5.3593E+00 2.9560E+00 H2 3801 1.008000 0.423800 4.7761E+00 -6.1929E+00 3.8645E+00 O6 3802 15.999400 -0.847600 1.1215E+01 -5.0937E+00 -4.7032E+00 H1 3803 1.008000 0.423800 1.1213E+01 -4.3360E+00 -4.0505E+00 H2 3804 1.008000 0.423800 1.0828E+01 -5.9079E+00 -4.2702E+00 O6 3805 15.999400 -0.847600 -5.5951E+00 2.1189E+00 -6.5870E+00 H1 3806 1.008000 0.423800 -4.9123E+00 2.3961E+00 -5.9109E+00 H2 3807 1.008000 0.423800 -6.4148E+00 2.6822E+00 -6.4830E+00 O6 3808 15.999400 -0.847600 -1.4587E+01 -1.5098E+01 -1.7239E+01 H1 3809 1.008000 0.423800 -1.4892E+01 -1.4749E+01 -1.6353E+01 H2 3810 1.008000 0.423800 -1.4826E+01 -1.6066E+01 -1.7316E+01 O6 3811 15.999400 -0.847600 1.3721E-01 1.1488E+01 -1.9356E+01 H1 3812 1.008000 0.423800 1.0614E-01 1.1611E+01 1.8750E+01 H2 3813 1.008000 0.423800 1.0886E+00 1.1402E+01 -1.9060E+01 O6 3814 15.999400 -0.847600 1.6769E+01 -1.1729E+01 7.7325E+00 H1 3815 1.008000 0.423800 1.7464E+01 -1.1165E+01 8.1782E+00 H2 3816 1.008000 0.423800 1.5872E+01 -1.1300E+01 7.8417E+00 O6 3817 15.999400 -0.847600 -1.6293E+01 -1.8002E+01 3.5504E+00 H1 3818 1.008000 0.423800 -1.6679E+01 -1.7802E+01 2.6499E+00 H2 3819 1.008000 0.423800 -1.5862E+01 -1.7179E+01 3.9192E+00 O6 3820 15.999400 -0.847600 -1.7736E+01 -7.5111E+00 5.9701E+00 H1 3821 1.008000 0.423800 -1.8442E+01 -7.9992E+00 6.4842E+00 H2 3822 1.008000 0.423800 -1.8119E+01 -6.6642E+00 5.6008E+00 O6 3823 15.999400 -0.847600 -1.9446E+01 9.6594E-01 1.7380E+01 H1 3824 1.008000 0.423800 1.8716E+01 6.1444E-01 1.7337E+01 H2 3825 1.008000 0.423800 -1.9119E+01 9.2589E-01 1.8324E+01 O6 3826 15.999400 -0.847600 1.1612E+01 -1.3553E+01 1.6676E+01 H1 3827 1.008000 0.423800 1.1378E+01 -1.3078E+01 1.7524E+01 H2 3828 1.008000 0.423800 1.1621E+01 -1.2899E+01 1.5919E+01 O6 3829 15.999400 -0.847600 8.0611E+00 3.1749E+00 1.8757E+01 H1 3830 1.008000 0.423800 7.7207E+00 2.3769E+00 1.8260E+01 H2 3831 1.008000 0.423800 7.2917E+00 3.6672E+00 1.9164E+01 O6 3832 15.999400 -0.847600 -8.1923E+00 -1.4414E+00 7.8439E+00 H1 3833 1.008000 0.423800 -8.5852E+00 -7.8405E-01 8.4869E+00 H2 3834 1.008000 0.423800 -7.2114E+00 -1.2708E+00 7.7506E+00 O6 3835 15.999400 -0.847600 -1.4890E+00 9.4348E+00 -3.3433E+00 H1 3836 1.008000 0.423800 -2.2765E+00 9.0696E+00 -3.8399E+00 H2 3837 1.008000 0.423800 -1.2292E+00 8.7988E+00 -2.6166E+00 O6 3838 15.999400 -0.847600 -1.8566E+01 1.6110E+01 -1.5563E+01 H1 3839 1.008000 0.423800 -1.7869E+01 1.6448E+01 -1.4931E+01 H2 3840 1.008000 0.423800 -1.8256E+01 1.5253E+01 -1.5974E+01 O6 3841 15.999400 -0.847600 -1.3891E+01 1.1078E+01 9.8815E+00 H1 3842 1.008000 0.423800 -1.3501E+01 1.1999E+01 9.8799E+00 H2 3843 1.008000 0.423800 -1.3559E+01 1.0574E+01 9.0844E+00 O6 3844 15.999400 -0.847600 -6.4310E+00 1.3780E+01 1.9188E+01 H1 3845 1.008000 0.423800 -6.0790E+00 1.4654E+01 1.9523E+01 H2 3846 1.008000 0.423800 -6.7930E+00 1.3900E+01 1.8263E+01 O6 3847 15.999400 -0.847600 9.4906E+00 -1.3012E+01 2.7292E+00 H1 3848 1.008000 0.423800 9.7348E+00 -1.2098E+01 3.0553E+00 H2 3849 1.008000 0.423800 8.7373E+00 -1.3372E+01 3.2796E+00 O6 3850 15.999400 -0.847600 6.4033E+00 4.2235E+00 -8.5972E+00 H1 3851 1.008000 0.423800 5.4980E+00 4.2705E+00 -9.0194E+00 H2 3852 1.008000 0.423800 7.0146E+00 3.6863E+00 -9.1784E+00 O6 3853 15.999400 -0.847600 -1.1848E+01 -1.4385E+01 5.2470E+00 H1 3854 1.008000 0.423800 -1.2815E+01 -1.4279E+01 5.4806E+00 H2 3855 1.008000 0.423800 -1.1285E+01 -1.3969E+01 5.9605E+00 O6 3856 15.999400 -0.847600 -1.2607E+01 -2.1487E+00 1.0657E+00 H1 3857 1.008000 0.423800 -1.3260E+01 -2.3686E+00 3.4050E-01 H2 3858 1.008000 0.423800 -1.2740E+01 -2.7745E+00 1.8343E+00 O6 3859 15.999400 -0.847600 6.6298E+00 1.4791E+00 -1.5127E+01 H1 3860 1.008000 0.423800 6.6269E+00 2.4312E+00 -1.4822E+01 H2 3861 1.008000 0.423800 5.9894E+00 1.3714E+00 -1.5888E+01 O6 3862 15.999400 -0.847600 -1.3318E+01 -1.6254E+01 1.8334E+01 H1 3863 1.008000 0.423800 -1.3029E+01 -1.6802E+01 1.9120E+01 H2 3864 1.008000 0.423800 -1.4312E+01 -1.6302E+01 1.8242E+01 O6 3865 15.999400 -0.847600 -4.9370E+00 -8.4726E+00 -1.2464E+01 H1 3866 1.008000 0.423800 -4.5721E+00 -8.5604E+00 -1.1537E+01 H2 3867 1.008000 0.423800 -5.4332E+00 -9.3060E+00 -1.2707E+01 O6 3868 15.999400 -0.847600 9.5836E+00 1.2977E+01 -7.8451E+00 H1 3869 1.008000 0.423800 1.0106E+01 1.3453E+01 -8.5530E+00 H2 3870 1.008000 0.423800 9.3965E+00 1.3605E+01 -7.0899E+00 O6 3871 15.999400 -0.847600 1.2833E+01 -2.5480E+00 -5.9280E-01 H1 3872 1.008000 0.423800 1.2760E+01 -3.5281E+00 -4.0823E-01 H2 3873 1.008000 0.423800 1.1951E+01 -2.1094E+00 -4.2007E-01 O6 3874 15.999400 -0.847600 1.3400E+01 2.2696E-01 -7.1980E+00 H1 3875 1.008000 0.423800 1.3711E+01 -4.0869E-01 -6.4911E+00 H2 3876 1.008000 0.423800 1.3665E+01 -1.2035E-01 -8.0978E+00 O6 3877 15.999400 -0.847600 3.8549E+00 1.5822E+01 6.4351E-01 H1 3878 1.008000 0.423800 4.6072E+00 1.5270E+01 1.0033E+00 H2 3879 1.008000 0.423800 4.2195E+00 1.6664E+01 2.4673E-01 O6 3880 15.999400 -0.847600 -6.4015E+00 8.0251E+00 -9.9244E+00 H1 3881 1.008000 0.423800 -6.9050E+00 8.8704E+00 -9.7458E+00 H2 3882 1.008000 0.423800 -6.1316E+00 7.9949E+00 -1.0887E+01 O6 3883 15.999400 -0.847600 -3.8296E+00 8.7276E+00 -4.5017E+00 H1 3884 1.008000 0.423800 -4.4689E+00 8.7605E+00 -5.2701E+00 H2 3885 1.008000 0.423800 -4.3239E+00 8.8988E+00 -3.6495E+00 O6 3886 15.999400 -0.847600 1.2325E+01 -1.9029E+01 -1.4100E+01 H1 3887 1.008000 0.423800 1.2550E+01 -1.8056E+01 -1.4155E+01 H2 3888 1.008000 0.423800 1.2315E+01 -1.9421E+01 -1.5020E+01 O6 3889 15.999400 -0.847600 -1.6598E+01 1.5354E+01 -1.3057E+01 H1 3890 1.008000 0.423800 -1.5646E+01 1.5477E+01 -1.2778E+01 H2 3891 1.008000 0.423800 -1.6767E+01 1.4387E+01 -1.3248E+01 O6 3892 15.999400 -0.847600 1.8108E+01 -1.1717E+01 1.0612E+01 H1 3893 1.008000 0.423800 1.7681E+01 -1.2259E+01 1.1335E+01 H2 3894 1.008000 0.423800 1.8928E+01 -1.2186E+01 1.0284E+01 O6 3895 15.999400 -0.847600 1.6607E+01 5.1643E+00 -1.5659E+01 H1 3896 1.008000 0.423800 1.5868E+01 5.5517E+00 -1.5108E+01 H2 3897 1.008000 0.423800 1.7173E+01 4.5701E+00 -1.5088E+01 O6 3898 15.999400 -0.847600 1.2608E+01 3.4144E+00 -7.4540E+00 H1 3899 1.008000 0.423800 1.2225E+01 2.8294E+00 -8.1687E+00 H2 3900 1.008000 0.423800 1.3074E+01 2.8481E+00 -6.7743E+00 O6 3901 15.999400 -0.847600 5.7567E+00 -7.6247E+00 -1.1822E+00 H1 3902 1.008000 0.423800 5.3182E+00 -7.8100E+00 -3.0279E-01 H2 3903 1.008000 0.423800 5.7563E+00 -6.6396E+00 -1.3538E+00 O6 3904 15.999400 -0.847600 -4.3342E+00 1.9581E+00 1.0525E+01 H1 3905 1.008000 0.423800 -3.7290E+00 2.4588E+00 9.9066E+00 H2 3906 1.008000 0.423800 -5.1742E+00 2.4819E+00 1.0666E+01 O6 3907 15.999400 -0.847600 1.1699E+01 7.2532E+00 5.1257E+00 H1 3908 1.008000 0.423800 1.1114E+01 6.6804E+00 5.7002E+00 H2 3909 1.008000 0.423800 1.1167E+01 8.0213E+00 4.7698E+00 O6 3910 15.999400 -0.847600 1.1086E+01 9.7392E+00 9.5102E+00 H1 3911 1.008000 0.423800 1.0444E+01 9.5861E+00 8.7589E+00 H2 3912 1.008000 0.423800 1.0603E+01 9.6614E+00 1.0382E+01 O6 3913 15.999400 -0.847600 -1.2786E+01 -1.7898E+01 -1.8767E+01 H1 3914 1.008000 0.423800 -1.2332E+01 -1.7423E+01 -1.8013E+01 H2 3915 1.008000 0.423800 -1.2989E+01 -1.8839E+01 -1.8495E+01 O6 3916 15.999400 -0.847600 1.2478E+00 2.3876E+00 1.3321E+00 H1 3917 1.008000 0.423800 1.4724E+00 1.8952E+00 4.9123E-01 H2 3918 1.008000 0.423800 5.7727E-01 1.8629E+00 1.8566E+00 O6 3919 15.999400 -0.847600 -8.2498E+00 -8.0149E+00 -1.3184E+01 H1 3920 1.008000 0.423800 -7.2544E+00 -7.9552E+00 -1.3109E+01 H2 3921 1.008000 0.423800 -8.5953E+00 -7.2163E+00 -1.3677E+01 O6 3922 15.999400 -0.847600 -1.5130E+01 -1.1333E+00 2.0352E+00 H1 3923 1.008000 0.423800 -1.4906E+01 -1.8736E+00 1.4009E+00 H2 3924 1.008000 0.423800 -1.4443E+01 -1.0981E+00 2.7612E+00 O6 3925 15.999400 -0.847600 -2.7766E+00 -1.6028E+01 1.1575E+01 H1 3926 1.008000 0.423800 -1.9561E+00 -1.6599E+01 1.1600E+01 H2 3927 1.008000 0.423800 -3.5145E+00 -1.6524E+01 1.1118E+01 O6 3928 15.999400 -0.847600 -1.4350E+01 1.8394E+01 -7.9729E+00 H1 3929 1.008000 0.423800 -1.3486E+01 1.8456E+01 -7.4723E+00 H2 3930 1.008000 0.423800 -1.4939E+01 1.9161E+01 -7.7189E+00 O6 3931 15.999400 -0.847600 6.8130E+00 1.4889E+01 -4.5641E+00 H1 3932 1.008000 0.423800 6.6674E+00 1.4234E+01 -3.8231E+00 H2 3933 1.008000 0.423800 6.7175E+00 1.5820E+01 -4.2097E+00 O6 3934 15.999400 -0.847600 -1.2952E+01 6.4788E+00 3.6370E+00 H1 3935 1.008000 0.423800 -1.3912E+01 6.5380E+00 3.9094E+00 H2 3936 1.008000 0.423800 -1.2389E+01 6.9912E+00 4.2858E+00 O6 3937 15.999400 -0.847600 -3.6123E+00 5.7434E+00 1.3039E+01 H1 3938 1.008000 0.423800 -3.4157E+00 4.8135E+00 1.3350E+01 H2 3939 1.008000 0.423800 -4.1267E+00 5.7065E+00 1.2182E+01 O6 3940 15.999400 -0.847600 -1.3485E+01 -9.0202E+00 -8.9009E+00 H1 3941 1.008000 0.423800 -1.4171E+01 -8.9283E+00 -8.1790E+00 H2 3942 1.008000 0.423800 -1.3832E+01 -8.6095E+00 -9.7442E+00 O6 3943 15.999400 -0.847600 -1.0142E+01 -1.9404E+01 1.0078E+01 H1 3944 1.008000 0.423800 -1.0437E+01 1.9030E+01 9.3909E+00 H2 3945 1.008000 0.423800 -1.0199E+01 -1.8482E+01 9.6966E+00 O6 3946 15.999400 -0.847600 -1.2524E+01 1.7724E+01 7.2623E-01 H1 3947 1.008000 0.423800 -1.2644E+01 1.6852E+01 1.1995E+00 H2 3948 1.008000 0.423800 -1.2084E+01 1.7566E+01 -1.5781E-01 O6 3949 15.999400 -0.847600 4.7877E+00 1.0677E+01 1.3456E+01 H1 3950 1.008000 0.423800 4.7665E+00 9.7002E+00 1.3671E+01 H2 3951 1.008000 0.423800 5.5271E+00 1.1115E+01 1.3968E+01 O6 3952 15.999400 -0.847600 -1.0062E+01 -9.2696E+00 -2.1433E+00 H1 3953 1.008000 0.423800 -1.0098E+01 -8.6633E+00 -1.3489E+00 H2 3954 1.008000 0.423800 -9.8745E+00 -8.7313E+00 -2.9650E+00 O6 3955 15.999400 -0.847600 -1.2372E+01 -1.4422E+01 -1.0997E-01 H1 3956 1.008000 0.423800 -1.2634E+01 -1.3713E+01 5.4465E-01 H2 3957 1.008000 0.423800 -1.2477E+01 -1.4072E+01 -1.0407E+00 O6 3958 15.999400 -0.847600 1.4431E+01 7.7081E+00 6.3840E+00 H1 3959 1.008000 0.423800 1.3510E+01 7.3486E+00 6.5330E+00 H2 3960 1.008000 0.423800 1.4619E+01 8.4297E+00 7.0504E+00 O6 3961 15.999400 -0.847600 5.6005E+00 -1.6520E+01 -9.3882E+00 H1 3962 1.008000 0.423800 6.1653E+00 -1.6246E+01 -8.6097E+00 H2 3963 1.008000 0.423800 5.9151E+00 -1.7404E+01 -9.7336E+00 O6 3964 15.999400 -0.847600 -1.0721E+01 7.0966E+00 -1.0618E+01 H1 3965 1.008000 0.423800 -1.0532E+01 6.5274E+00 -9.8171E+00 H2 3966 1.008000 0.423800 -1.0127E+01 6.8164E+00 -1.1372E+01 O6 3967 15.999400 -0.847600 -1.8376E+01 1.7569E+01 1.4931E+01 H1 3968 1.008000 0.423800 -1.8515E+01 1.7706E+01 1.5912E+01 H2 3969 1.008000 0.423800 -1.8074E+01 1.6631E+01 1.4765E+01 O6 3970 15.999400 -0.847600 -1.1878E+00 -1.5284E+01 -9.4939E+00 H1 3971 1.008000 0.423800 -1.0627E+00 -1.4723E+01 -1.0312E+01 H2 3972 1.008000 0.423800 -4.2263E-01 -1.5922E+01 -9.4074E+00 O6 3973 15.999400 -0.847600 1.6690E+01 1.7170E+01 -9.0874E+00 H1 3974 1.008000 0.423800 1.6464E+01 1.6231E+01 -8.8275E+00 H2 3975 1.008000 0.423800 1.7078E+01 1.7176E+01 -1.0009E+01 O6 3976 15.999400 -0.847600 -5.5524E+00 9.4254E+00 -1.7416E+01 H1 3977 1.008000 0.423800 -5.7768E+00 8.4544E+00 -1.7498E+01 H2 3978 1.008000 0.423800 -5.0778E+00 9.7293E+00 -1.8242E+01 O6 3979 15.999400 -0.847600 -4.3524E-01 1.4506E+01 1.8007E+01 H1 3980 1.008000 0.423800 -7.5992E-02 1.3586E+01 1.7850E+01 H2 3981 1.008000 0.423800 -1.4154E+00 1.4519E+01 1.7809E+01 O6 3982 15.999400 -0.847600 3.4656E+00 2.8835E+00 -4.8705E+00 H1 3983 1.008000 0.423800 2.8194E+00 3.5418E+00 -5.2568E+00 H2 3984 1.008000 0.423800 3.3833E+00 2.8811E+00 -3.8739E+00 O6 3985 15.999400 -0.847600 9.8248E+00 -1.3389E+01 -5.2117E+00 H1 3986 1.008000 0.423800 9.6104E+00 -1.3204E+01 -4.2526E+00 H2 3987 1.008000 0.423800 9.8834E+00 -1.2526E+01 -5.7128E+00 O6 3988 15.999400 -0.847600 -1.5113E+01 -4.9466E-01 -3.7670E+00 H1 3989 1.008000 0.423800 -1.5799E+01 2.3152E-01 -3.8138E+00 H2 3990 1.008000 0.423800 -1.4291E+01 -2.0883E-01 -4.2595E+00 O6 3991 15.999400 -0.847600 1.7215E+01 -9.4041E+00 -1.2345E+01 H1 3992 1.008000 0.423800 1.6303E+01 -9.1103E+00 -1.2058E+01 H2 3993 1.008000 0.423800 1.7401E+01 -9.0602E+00 -1.3265E+01 O6 3994 15.999400 -0.847600 8.4566E+00 4.6210E+00 3.4801E+00 H1 3995 1.008000 0.423800 8.8451E+00 5.0106E+00 4.3151E+00 H2 3996 1.008000 0.423800 8.5049E+00 5.2958E+00 2.7437E+00 O6 3997 15.999400 -0.847600 9.9240E+00 3.4329E+00 -2.0548E-01 H1 3998 1.008000 0.423800 1.0141E+01 3.0264E+00 -1.0931E+00 H2 3999 1.008000 0.423800 1.0753E+01 3.4796E+00 3.5108E-01 O6 4000 15.999400 -0.847600 1.7968E+01 4.3592E+00 8.5898E+00 H1 4001 1.008000 0.423800 1.7303E+01 3.6224E+00 8.4690E+00 H2 4002 1.008000 0.423800 1.7529E+01 5.1341E+00 9.0439E+00 O6 4003 15.999400 -0.847600 5.7507E+00 -2.5218E+00 -1.5882E+01 H1 4004 1.008000 0.423800 5.1808E+00 -3.0880E+00 -1.5286E+01 H2 4005 1.008000 0.423800 6.5929E+00 -2.2761E+00 -1.5402E+01 O6 4006 15.999400 -0.847600 -9.8117E+00 1.4484E+01 3.2408E+00 H1 4007 1.008000 0.423800 -1.0755E+01 1.4264E+01 3.4875E+00 H2 4008 1.008000 0.423800 -9.1937E+00 1.3817E+01 3.6563E+00 O6 4009 15.999400 -0.847600 -1.2019E+01 -6.3350E+00 1.2307E+01 H1 4010 1.008000 0.423800 -1.1317E+01 -6.0503E+00 1.1655E+01 H2 4011 1.008000 0.423800 -1.1687E+01 -7.1165E+00 1.2835E+01 O6 4012 15.999400 -0.847600 -7.6026E+00 7.3794E-01 1.6756E+01 H1 4013 1.008000 0.423800 -7.0275E+00 1.2693E+00 1.6134E+01 H2 4014 1.008000 0.423800 -8.4432E+00 4.6962E-01 1.6285E+01 O6 4015 15.999400 -0.847600 -9.5451E+00 1.7638E+01 1.1664E+01 H1 4016 1.008000 0.423800 -9.9259E+00 1.8487E+01 1.1298E+01 H2 4017 1.008000 0.423800 -1.0167E+01 1.7263E+01 1.2351E+01 O6 4018 15.999400 -0.847600 8.6380E+00 4.8594E+00 -1.1202E+01 H1 4019 1.008000 0.423800 8.5110E+00 3.9940E+00 -1.0717E+01 H2 4020 1.008000 0.423800 8.1852E+00 5.5940E+00 -1.0696E+01 O6 4021 15.999400 -0.847600 8.4901E+00 -1.5034E+01 -1.2481E+00 H1 4022 1.008000 0.423800 9.0658E+00 -1.4375E+01 -1.7317E+00 H2 4023 1.008000 0.423800 8.1670E+00 -1.5729E+01 -1.8908E+00 O6 4024 15.999400 -0.847600 1.0762E+01 -1.7748E+01 2.0791E+00 H1 4025 1.008000 0.423800 1.0171E+01 -1.6975E+01 1.8480E+00 H2 4026 1.008000 0.423800 1.0917E+01 -1.8304E+01 1.2629E+00 O6 4027 15.999400 -0.847600 -1.6523E+01 -1.1524E+01 -1.7593E+01 H1 4028 1.008000 0.423800 -1.7204E+01 -1.2190E+01 -1.7897E+01 H2 4029 1.008000 0.423800 -1.5607E+01 -1.1911E+01 -1.7701E+01 O6 4030 15.999400 -0.847600 1.1847E+01 -8.9654E+00 -9.3250E+00 H1 4031 1.008000 0.423800 1.2398E+01 -8.8358E+00 -8.5009E+00 H2 4032 1.008000 0.423800 1.1323E+01 -9.8134E+00 -9.2454E+00 O6 4033 15.999400 -0.847600 -1.7846E+01 -2.4256E+00 6.0276E+00 H1 4034 1.008000 0.423800 -1.7751E+01 -1.4812E+00 6.3425E+00 H2 4035 1.008000 0.423800 -1.8688E+01 -2.8169E+00 6.3978E+00 O6 4036 15.999400 -0.847600 1.7443E+01 -1.9888E+00 -2.9802E+00 H1 4037 1.008000 0.423800 1.6554E+01 -2.3424E+00 -3.2706E+00 H2 4038 1.008000 0.423800 1.7818E+01 -2.5780E+00 -2.2646E+00 O6 4039 15.999400 -0.847600 -1.0322E-01 -9.3418E+00 1.4650E+01 H1 4040 1.008000 0.423800 -8.2510E-01 -9.7365E+00 1.4082E+01 H2 4041 1.008000 0.423800 -4.7451E-01 -9.1152E+00 1.5551E+01 O6 4042 15.999400 -0.847600 7.0098E+00 -9.4056E+00 1.7816E+00 H1 4043 1.008000 0.423800 7.2171E+00 -1.0085E+01 1.0781E+00 H2 4044 1.008000 0.423800 6.1123E+00 -9.0028E+00 1.6016E+00 O6 4045 15.999400 -0.847600 -1.8864E+01 7.1605E+00 -1.7102E+01 H1 4046 1.008000 0.423800 1.9278E+01 7.3537E+00 -1.6879E+01 H2 4047 1.008000 0.423800 -1.8687E+01 6.1825E+00 -1.6991E+01 O6 4048 15.999400 -0.847600 1.8885E+01 1.4325E+01 -9.8690E+00 H1 4049 1.008000 0.423800 1.8872E+01 1.4488E+01 -1.0856E+01 H2 4050 1.008000 0.423800 1.9425E+01 1.5038E+01 -9.4208E+00 O6 4051 15.999400 -0.847600 -1.8249E+01 -7.2516E+00 1.5862E+01 H1 4052 1.008000 0.423800 -1.8750E+01 -7.8774E+00 1.5264E+01 H2 4053 1.008000 0.423800 -1.7428E+01 -7.7068E+00 1.6208E+01 O6 4054 15.999400 -0.847600 1.2190E+00 1.3514E+01 7.1110E+00 H1 4055 1.008000 0.423800 1.5181E+00 1.2570E+01 6.9719E+00 H2 4056 1.008000 0.423800 2.0161E+00 1.4118E+01 7.1226E+00 O6 4057 15.999400 -0.847600 -1.1304E+01 -1.9178E+00 -6.9419E+00 H1 4058 1.008000 0.423800 -1.0712E+01 -2.5849E+00 -7.3942E+00 H2 4059 1.008000 0.423800 -1.0759E+01 -1.3569E+00 -6.3188E+00 O6 4060 15.999400 -0.847600 8.3237E+00 1.5026E+01 -1.5389E+01 H1 4061 1.008000 0.423800 7.7966E+00 1.5048E+01 -1.4539E+01 H2 4062 1.008000 0.423800 9.2902E+00 1.4880E+01 -1.5178E+01 O6 4063 15.999400 -0.847600 -3.7276E+00 1.3819E+01 -1.0020E+01 H1 4064 1.008000 0.423800 -4.0186E+00 1.3920E+01 -1.0972E+01 H2 4065 1.008000 0.423800 -2.8920E+00 1.3271E+01 -9.9836E+00 O6 4066 15.999400 -0.847600 9.5458E+00 8.8900E+00 1.1832E+01 H1 4067 1.008000 0.423800 8.8805E+00 8.1902E+00 1.2092E+01 H2 4068 1.008000 0.423800 9.1303E+00 9.7950E+00 1.1923E+01 O6 4069 15.999400 -0.847600 1.7289E+01 1.1468E+01 -1.9058E+01 H1 4070 1.008000 0.423800 1.6649E+01 1.2219E+01 -1.8896E+01 H2 4071 1.008000 0.423800 1.6778E+01 1.0641E+01 -1.9296E+01 O6 4072 15.999400 -0.847600 -2.6634E-01 -1.7852E+01 -1.1985E+01 H1 4073 1.008000 0.423800 -3.3594E-01 -1.7311E+01 -1.2823E+01 H2 4074 1.008000 0.423800 3.2451E-01 -1.7379E+01 -1.1331E+01 O6 4075 15.999400 -0.847600 -1.3305E+01 5.2410E+00 -1.0135E+01 H1 4076 1.008000 0.423800 -1.2888E+01 4.7420E+00 -1.0894E+01 H2 4077 1.008000 0.423800 -1.3101E+01 6.2158E+00 -1.0224E+01 O6 4078 15.999400 -0.847600 3.8661E+00 6.2398E-01 1.2615E+01 H1 4079 1.008000 0.423800 3.1678E+00 -3.2029E-02 1.2329E+01 H2 4080 1.008000 0.423800 3.6772E+00 9.2524E-01 1.3550E+01 O6 4081 15.999400 -0.847600 -2.3544E+00 1.2420E+01 1.0278E+01 H1 4082 1.008000 0.423800 -2.7028E+00 1.3024E+01 1.0995E+01 H2 4083 1.008000 0.423800 -2.2076E+00 1.1505E+01 1.0655E+01 O6 4084 15.999400 -0.847600 1.0139E+01 9.1309E+00 4.0873E+00 H1 4085 1.008000 0.423800 9.6047E+00 8.9012E+00 3.2740E+00 H2 4086 1.008000 0.423800 1.0483E+01 1.0066E+01 4.0067E+00 O6 4087 15.999400 -0.847600 1.5691E+01 8.6245E+00 1.0112E+01 H1 4088 1.008000 0.423800 1.6371E+01 9.3568E+00 1.0149E+01 H2 4089 1.008000 0.423800 1.5032E+01 8.7428E+00 1.0855E+01 O6 4090 15.999400 -0.847600 -1.1813E+01 -6.2773E+00 -7.8070E+00 H1 4091 1.008000 0.423800 -1.1945E+01 -6.7358E+00 -8.6858E+00 H2 4092 1.008000 0.423800 -1.1248E+01 -5.4626E+00 -7.9379E+00 O6 4093 15.999400 -0.847600 -1.8437E+00 -1.0576E+01 1.3141E+01 H1 4094 1.008000 0.423800 -1.2845E+00 -1.1035E+01 1.2451E+01 H2 4095 1.008000 0.423800 -2.6994E+00 -1.1078E+01 1.3265E+01 O6 4096 15.999400 -0.847600 -7.3369E+00 5.2800E+00 1.2301E+01 H1 4097 1.008000 0.423800 -6.4727E+00 5.3834E+00 1.1809E+01 H2 4098 1.008000 0.423800 -7.8464E+00 6.1397E+00 1.2264E+01 O6 4099 15.999400 -0.847600 1.5884E+01 8.7389E-01 -1.2456E+00 H1 4100 1.008000 0.423800 1.6534E+01 1.4125E+00 -1.7819E+00 H2 4101 1.008000 0.423800 1.5819E+01 1.2527E+00 -3.2245E-01 O6 4102 15.999400 -0.847600 1.0291E+00 -1.4767E+01 1.6393E+01 H1 4103 1.008000 0.423800 1.0698E+00 -1.4671E+01 1.7387E+01 H2 4104 1.008000 0.423800 7.2422E-01 -1.3905E+01 1.5987E+01 O6 4105 15.999400 -0.847600 1.5430E+01 -5.6305E+00 1.0598E+01 H1 4106 1.008000 0.423800 1.4540E+01 -5.9924E+00 1.0874E+01 H2 4107 1.008000 0.423800 1.5327E+01 -5.0987E+00 9.7570E+00 O6 4108 15.999400 -0.847600 -1.8839E+01 4.7924E+00 1.1036E+01 H1 4109 1.008000 0.423800 -1.8456E+01 4.1360E+00 1.0386E+01 H2 4110 1.008000 0.423800 1.9348E+01 5.0714E+00 1.0731E+01 O6 4111 15.999400 -0.847600 -1.4184E+01 -4.6313E+00 1.3517E+01 H1 4112 1.008000 0.423800 -1.4158E+01 -3.8006E+00 1.4073E+01 H2 4113 1.008000 0.423800 -1.3250E+01 -4.9452E+00 1.3343E+01 O6 4114 15.999400 -0.847600 -8.1270E+00 7.3924E-01 1.9264E+01 H1 4115 1.008000 0.423800 -7.7855E+00 7.2791E-01 1.8324E+01 H2 4116 1.008000 0.423800 -7.9473E+00 1.6338E+00 -1.9425E+01 O6 4117 15.999400 -0.847600 -3.2337E+00 4.3713E+00 6.5158E+00 H1 4118 1.008000 0.423800 -4.1111E+00 4.7822E+00 6.7636E+00 H2 4119 1.008000 0.423800 -3.1205E+00 4.4011E+00 5.5227E+00 O6 4120 15.999400 -0.847600 2.1782E+00 1.0912E+01 -1.4702E+01 H1 4121 1.008000 0.423800 2.1994E+00 9.9812E+00 -1.5068E+01 H2 4122 1.008000 0.423800 1.5548E+00 1.0948E+01 -1.3921E+01 O6 4123 15.999400 -0.847600 7.1095E+00 -3.4789E+00 -1.8708E+01 H1 4124 1.008000 0.423800 7.6821E+00 -3.5702E+00 -1.7893E+01 H2 4125 1.008000 0.423800 7.5098E+00 -2.7988E+00 -1.9322E+01 O6 4126 15.999400 -0.847600 1.6604E+01 2.9000E+00 1.5674E+01 H1 4127 1.008000 0.423800 1.7054E+01 3.0997E+00 1.6545E+01 H2 4128 1.008000 0.423800 1.7153E+01 2.2422E+00 1.5159E+01 O6 4129 15.999400 -0.847600 6.4305E+00 1.8261E+01 1.0830E+01 H1 4130 1.008000 0.423800 6.1079E+00 1.7452E+01 1.1322E+01 H2 4131 1.008000 0.423800 7.2177E+00 1.8015E+01 1.0265E+01 O6 4132 15.999400 -0.847600 7.8870E+00 -1.8896E+01 -2.3491E+00 H1 4133 1.008000 0.423800 7.7422E+00 -1.7963E+01 -2.6774E+00 H2 4134 1.008000 0.423800 8.8479E+00 -1.9146E+01 -2.4681E+00 O6 4135 15.999400 -0.847600 -2.4006E+00 -1.4837E+01 -2.7643E+00 H1 4136 1.008000 0.423800 -2.4550E+00 -1.3887E+01 -3.0735E+00 H2 4137 1.008000 0.423800 -2.0047E+00 -1.5401E+01 -3.4888E+00 O6 4138 15.999400 -0.847600 1.8820E+01 8.2943E+00 8.9116E+00 H1 4139 1.008000 0.423800 1.8688E+01 7.9118E+00 9.8261E+00 H2 4140 1.008000 0.423800 1.9135E+01 9.2401E+00 8.9883E+00 O6 4141 15.999400 -0.847600 -3.3221E+00 1.3169E+00 -9.7657E+00 H1 4142 1.008000 0.423800 -2.7320E+00 5.1086E-01 -9.8119E+00 H2 4143 1.008000 0.423800 -3.0559E+00 1.9660E+00 -1.0478E+01 O6 4144 15.999400 -0.847600 -1.1611E+01 -4.2825E+00 9.5061E+00 H1 4145 1.008000 0.423800 -1.2146E+01 -5.0634E+00 9.1835E+00 H2 4146 1.008000 0.423800 -1.0958E+01 -4.5890E+00 1.0199E+01 O6 4147 15.999400 -0.847600 -8.5580E+00 1.3781E+01 1.7017E+01 H1 4148 1.008000 0.423800 -9.3290E+00 1.3959E+01 1.7629E+01 H2 4149 1.008000 0.423800 -8.4505E+00 1.4549E+01 1.6385E+01 O6 4150 15.999400 -0.847600 1.7173E+01 -8.2874E+00 5.9452E+00 H1 4151 1.008000 0.423800 1.7908E+01 -8.8399E+00 6.3376E+00 H2 4152 1.008000 0.423800 1.6539E+01 -8.8805E+00 5.4486E+00 O6 4153 15.999400 -0.847600 9.8865E-01 2.6060E+00 -2.7407E+00 H1 4154 1.008000 0.423800 6.5028E-01 1.7318E+00 -3.0890E+00 H2 4155 1.008000 0.423800 3.1765E-01 3.3227E+00 -2.9308E+00 O6 4156 15.999400 -0.847600 1.3315E+01 -1.8276E+00 -3.0604E+00 H1 4157 1.008000 0.423800 1.2390E+01 -1.7658E+00 -3.4359E+00 H2 4158 1.008000 0.423800 1.3265E+01 -2.0700E+00 -2.0915E+00 O6 4159 15.999400 -0.847600 9.8647E+00 -1.5894E+01 -1.6002E+01 H1 4160 1.008000 0.423800 9.2312E+00 -1.6124E+01 -1.6741E+01 H2 4161 1.008000 0.423800 1.0793E+01 -1.5829E+01 -1.6367E+01 O6 4162 15.999400 -0.847600 -1.3781E+01 -4.7583E-02 -1.2028E+01 H1 4163 1.008000 0.423800 -1.3889E+01 4.5659E-01 -1.1171E+01 H2 4164 1.008000 0.423800 -1.4482E+01 -7.5743E-01 -1.2089E+01 O6 4165 15.999400 -0.847600 -2.2619E+00 4.8526E+00 -3.1941E+00 H1 4166 1.008000 0.423800 -1.3410E+00 5.0000E+00 -3.5550E+00 H2 4167 1.008000 0.423800 -2.5322E+00 5.6393E+00 -2.6392E+00 O6 4168 15.999400 -0.847600 1.6633E+01 -2.7224E+00 1.6715E+01 H1 4169 1.008000 0.423800 1.5833E+01 -3.0451E+00 1.7222E+01 H2 4170 1.008000 0.423800 1.6601E+01 -3.0783E+00 1.5781E+01 O6 4171 15.999400 -0.847600 1.3916E+01 1.8470E+01 -1.1980E+01 H1 4172 1.008000 0.423800 1.3144E+01 1.8665E+01 -1.2585E+01 H2 4173 1.008000 0.423800 1.4626E+01 1.7985E+01 -1.2490E+01 O6 4174 15.999400 -0.847600 -2.5628E+00 4.4564E-01 -6.2283E+00 H1 4175 1.008000 0.423800 -3.0674E+00 1.2666E+00 -5.9609E+00 H2 4176 1.008000 0.423800 -2.0768E+00 7.9837E-02 -5.4346E+00 O6 4177 15.999400 -0.847600 3.8541E+00 -1.6075E+01 -5.5411E+00 H1 4178 1.008000 0.423800 4.6831E+00 -1.5739E+01 -5.0940E+00 H2 4179 1.008000 0.423800 3.6809E+00 -1.7018E+01 -5.2563E+00 O6 4180 15.999400 -0.847600 -4.9629E-01 -4.7433E+00 1.5531E+01 H1 4181 1.008000 0.423800 -4.9060E-02 -3.8605E+00 1.5388E+01 H2 4182 1.008000 0.423800 1.2059E-01 -5.4788E+00 1.5250E+01 O6 4183 15.999400 -0.847600 1.4719E+01 -1.7070E+01 1.9124E+01 H1 4184 1.008000 0.423800 1.5441E+01 -1.7024E+01 1.8435E+01 H2 4185 1.008000 0.423800 1.5104E+01 -1.6870E+01 -1.9073E+01 O6 4186 15.999400 -0.847600 1.2179E+01 1.6561E+01 1.9221E+01 H1 4187 1.008000 0.423800 1.2947E+01 1.6842E+01 1.8646E+01 H2 4188 1.008000 0.423800 1.1961E+01 1.5602E+01 1.9042E+01 O6 4189 15.999400 -0.847600 1.7820E+01 -1.4013E+01 -3.5362E-01 H1 4190 1.008000 0.423800 1.7642E+01 -1.4989E+01 -4.8520E-01 H2 4191 1.008000 0.423800 1.8290E+01 -1.3649E+01 -1.1572E+00 O6 4192 15.999400 -0.847600 4.8089E+00 1.8203E+01 -2.9483E-01 H1 4193 1.008000 0.423800 5.6192E+00 1.8780E+01 -1.9011E-01 H2 4194 1.008000 0.423800 4.0322E+00 1.8633E+01 1.6564E-01 O6 4195 15.999400 -0.847600 1.7268E+01 -1.2088E+01 3.8470E+00 H1 4196 1.008000 0.423800 1.7979E+01 -1.1571E+01 4.3239E+00 H2 4197 1.008000 0.423800 1.7308E+01 -1.1885E+01 2.8687E+00 O6 4198 15.999400 -0.847600 -1.8730E+01 1.8210E+01 -6.4366E+00 H1 4199 1.008000 0.423800 -1.9381E+01 1.8593E+01 -7.0923E+00 H2 4200 1.008000 0.423800 -1.8149E+01 1.8941E+01 -6.0787E+00 O6 4201 15.999400 -0.847600 -7.8118E+00 -4.6316E-01 -1.2377E+01 H1 4202 1.008000 0.423800 -7.8417E+00 -1.4022E+00 -1.2720E+01 H2 4203 1.008000 0.423800 -6.8664E+00 -2.1577E-01 -1.2165E+01 O6 4204 15.999400 -0.847600 5.4703E-01 -1.0432E+01 1.7938E+01 H1 4205 1.008000 0.423800 2.3669E-01 -1.0612E+01 1.8871E+01 H2 4206 1.008000 0.423800 1.4793E+00 -1.0071E+01 1.7960E+01 O6 4207 15.999400 -0.847600 -4.2065E+00 -1.7825E+01 1.6678E+01 H1 4208 1.008000 0.423800 -3.5660E+00 -1.7078E+01 1.6497E+01 H2 4209 1.008000 0.423800 -4.3802E+00 -1.8328E+01 1.5832E+01 O6 4210 15.999400 -0.847600 -1.8216E+01 1.6812E+01 -1.9246E+00 H1 4211 1.008000 0.423800 -1.8302E+01 1.7631E+01 -2.4926E+00 H2 4212 1.008000 0.423800 -1.7310E+01 1.6793E+01 -1.5021E+00 O6 4213 15.999400 -0.847600 -1.5620E+01 -2.6956E+00 9.7065E+00 H1 4214 1.008000 0.423800 -1.6150E+01 -1.8778E+00 9.9306E+00 H2 4215 1.008000 0.423800 -1.4664E+01 -2.5533E+00 9.9624E+00 O6 4216 15.999400 -0.847600 1.6581E+01 -6.2879E+00 -1.1180E+01 H1 4217 1.008000 0.423800 1.6609E+01 -6.1262E+00 -1.2166E+01 H2 4218 1.008000 0.423800 1.6045E+01 -7.1107E+00 -1.0992E+01 O6 4219 15.999400 -0.847600 -3.1222E+00 -2.6508E+00 9.0306E+00 H1 4220 1.008000 0.423800 -3.3585E+00 -3.5894E+00 8.7792E+00 H2 4221 1.008000 0.423800 -3.4970E+00 -2.4433E+00 9.9341E+00 O6 4222 15.999400 -0.847600 1.6506E+01 5.9020E+00 -9.8268E-01 H1 4223 1.008000 0.423800 1.5584E+01 6.1382E+00 -6.7551E-01 H2 4224 1.008000 0.423800 1.6608E+01 6.1431E+00 -1.9478E+00 O6 4225 15.999400 -0.847600 -4.1175E+00 1.9012E+01 -1.2740E+01 H1 4226 1.008000 0.423800 -4.6672E+00 1.8375E+01 -1.3281E+01 H2 4227 1.008000 0.423800 -3.1957E+00 1.9065E+01 -1.3124E+01 O6 4228 15.999400 -0.847600 1.9042E+00 -6.4651E+00 -1.3737E+01 H1 4229 1.008000 0.423800 2.4441E+00 -7.1098E+00 -1.3195E+01 H2 4230 1.008000 0.423800 1.8027E+00 -6.8150E+00 -1.4668E+01 O6 4231 15.999400 -0.847600 1.3799E+01 -2.7398E+00 -7.4699E+00 H1 4232 1.008000 0.423800 1.3795E+01 -2.6391E+00 -8.4648E+00 H2 4233 1.008000 0.423800 1.2913E+01 -3.0901E+00 -7.1666E+00 O6 4234 15.999400 -0.847600 8.0903E+00 1.7121E+01 -2.0574E+00 H1 4235 1.008000 0.423800 9.0125E+00 1.7508E+01 -2.0517E+00 H2 4236 1.008000 0.423800 7.4991E+00 1.7677E+01 -2.6412E+00 O6 4237 15.999400 -0.847600 1.0129E+01 -1.4120E+00 -1.1047E+00 H1 4238 1.008000 0.423800 9.2088E+00 -1.6932E+00 -8.3285E-01 H2 4239 1.008000 0.423800 1.0369E+01 -5.6116E-01 -6.3740E-01 O6 4240 15.999400 -0.847600 -8.6556E+00 -1.7307E+01 1.2067E+01 H1 4241 1.008000 0.423800 -9.0520E+00 -1.8207E+01 1.1883E+01 H2 4242 1.008000 0.423800 -8.3068E+00 -1.6916E+01 1.1216E+01 O6 4243 15.999400 -0.847600 1.8503E+01 -3.6465E+00 -1.1575E+00 H1 4244 1.008000 0.423800 1.8938E+01 -4.3772E+00 -1.6834E+00 H2 4245 1.008000 0.423800 1.9134E+01 -3.3209E+00 -4.5360E-01 O6 4246 15.999400 -0.847600 -1.8853E+01 6.2000E+00 -2.9225E+00 H1 4247 1.008000 0.423800 -1.8452E+01 5.6249E+00 -2.2098E+00 H2 4248 1.008000 0.423800 -1.8468E+01 7.1209E+00 -2.8642E+00 O6 4249 15.999400 -0.847600 -1.2653E+01 -9.1484E+00 2.9770E+00 H1 4250 1.008000 0.423800 -1.1936E+01 -9.5757E+00 2.4264E+00 H2 4251 1.008000 0.423800 -1.2510E+01 -8.1589E+00 3.0004E+00 O6 4252 15.999400 -0.847600 1.4440E+01 -6.5823E-02 6.5028E+00 H1 4253 1.008000 0.423800 1.4352E+01 8.8073E-01 6.8132E+00 H2 4254 1.008000 0.423800 1.5282E+01 -1.6585E-01 5.9733E+00 O6 4255 15.999400 -0.847600 -8.0153E+00 -1.5142E+01 -2.7977E+00 H1 4256 1.008000 0.423800 -8.3611E+00 -1.4520E+01 -2.0947E+00 H2 4257 1.008000 0.423800 -7.0949E+00 -1.4860E+01 -3.0684E+00 O6 4258 15.999400 -0.847600 1.0724E+01 9.3208E+00 -3.0084E+00 H1 4259 1.008000 0.423800 1.0568E+01 9.3265E+00 -3.9962E+00 H2 4260 1.008000 0.423800 1.0144E+01 8.6264E+00 -2.5834E+00 O6 4261 15.999400 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1.6967E+01 8.8162E+00 -1.2569E+01 H2 4278 1.008000 0.423800 1.7446E+01 7.3145E+00 -1.2143E+01 O6 4279 15.999400 -0.847600 6.2207E-01 1.7803E+01 -8.2090E+00 H1 4280 1.008000 0.423800 4.8417E-02 1.7395E+01 -7.4988E+00 H2 4281 1.008000 0.423800 2.8745E-01 1.8722E+01 -8.4207E+00 O6 4282 15.999400 -0.847600 -1.2232E+01 -1.7099E+01 -8.3822E-01 H1 4283 1.008000 0.423800 -1.2572E+01 -1.7601E+01 -4.2762E-02 H2 4284 1.008000 0.423800 -1.2327E+01 -1.6117E+01 -6.7854E-01 O6 4285 15.999400 -0.847600 1.1243E+00 1.5231E+01 -1.9130E+01 H1 4286 1.008000 0.423800 2.0523E+00 1.4927E+01 -1.9345E+01 H2 4287 1.008000 0.423800 4.8205E-01 1.4829E+01 1.9315E+01 O6 4288 15.999400 -0.847600 -1.0894E+01 1.3750E+01 7.9031E+00 H1 4289 1.008000 0.423800 -1.0700E+01 1.2774E+01 7.8046E+00 H2 4290 1.008000 0.423800 -1.0034E+01 1.4260E+01 7.9287E+00 O6 4291 15.999400 -0.847600 -2.5613E+00 1.8531E+01 -4.2800E+00 H1 4292 1.008000 0.423800 -3.2137E+00 1.7780E+01 -4.1825E+00 H2 4293 1.008000 0.423800 -3.0558E+00 1.9400E+01 -4.3119E+00 O6 4294 15.999400 -0.847600 -1.3490E+01 -1.2856E+01 1.4215E+01 H1 4295 1.008000 0.423800 -1.3655E+01 -1.3446E+01 1.5005E+01 H2 4296 1.008000 0.423800 -1.3448E+01 -1.1903E+01 1.4513E+01 O6 4297 15.999400 -0.847600 2.9773E+00 -6.1616E+00 -2.2450E+00 H1 4298 1.008000 0.423800 2.7970E+00 -5.6685E+00 -3.0961E+00 H2 4299 1.008000 0.423800 3.7387E+00 -5.7278E+00 -1.7633E+00 O6 4300 15.999400 -0.847600 1.8011E+01 -1.4852E+01 -1.9371E+01 H1 4301 1.008000 0.423800 1.7506E+01 -1.5439E+01 -1.8738E+01 H2 4302 1.008000 0.423800 1.7511E+01 -1.4784E+01 1.8864E+01 O6 4303 15.999400 -0.847600 1.0210E+01 -1.0420E+01 3.4594E+00 H1 4304 1.008000 0.423800 9.4070E+00 -1.0080E+01 3.9494E+00 H2 4305 1.008000 0.423800 1.1039E+01 -1.0088E+01 3.9082E+00 O6 4306 15.999400 -0.847600 1.7368E+01 5.0078E+00 1.3028E+01 H1 4307 1.008000 0.423800 1.7681E+01 4.0653E+00 1.3147E+01 H2 4308 1.008000 0.423800 1.7810E+01 5.5939E+00 1.3707E+01 O6 4309 15.999400 -0.847600 -3.4205E+00 -5.6078E+00 -3.9872E+00 H1 4310 1.008000 0.423800 -3.7848E+00 -4.6898E+00 -3.8303E+00 H2 4311 1.008000 0.423800 -3.6318E+00 -5.8949E+00 -4.9215E+00 O6 4312 15.999400 -0.847600 -1.2391E+01 6.3808E+00 7.0268E+00 H1 4313 1.008000 0.423800 -1.1613E+01 5.7604E+00 6.9245E+00 H2 4314 1.008000 0.423800 -1.3114E+01 5.9261E+00 7.5471E+00 O6 4315 15.999400 -0.847600 -1.1621E+00 -8.4383E+00 3.1721E+00 H1 4316 1.008000 0.423800 -1.8840E-01 -8.2756E+00 3.0122E+00 H2 4317 1.008000 0.423800 -1.4866E+00 -7.8314E+00 3.8976E+00 O6 4318 15.999400 -0.847600 -1.6762E+01 3.9837E-01 -9.5354E+00 H1 4319 1.008000 0.423800 -1.5773E+01 5.1672E-01 -9.6292E+00 H2 4320 1.008000 0.423800 -1.7168E+01 1.2464E+00 -9.1954E+00 O6 4321 15.999400 -0.847600 -7.6260E+00 1.0184E+01 1.2624E+01 H1 4322 1.008000 0.423800 -7.0128E+00 1.0926E+01 1.2353E+01 H2 4323 1.008000 0.423800 -7.4050E+00 9.3612E+00 1.2100E+01 O6 4324 15.999400 -0.847600 3.9043E+00 1.8509E+01 -1.1093E+01 H1 4325 1.008000 0.423800 3.5947E+00 1.9152E+01 -1.1794E+01 H2 4326 1.008000 0.423800 3.5746E+00 1.8808E+01 -1.0197E+01 O6 4327 15.999400 -0.847600 8.3248E-01 -7.6962E+00 -1.4563E+00 H1 4328 1.008000 0.423800 1.6343E+00 -7.2274E+00 -1.8268E+00 H2 4329 1.008000 0.423800 2.3055E-03 -7.2373E+00 -1.7728E+00 O6 4330 15.999400 -0.847600 -1.5237E+01 6.0391E-01 -1.6646E+01 H1 4331 1.008000 0.423800 -1.5732E+01 7.9461E-01 -1.5799E+01 H2 4332 1.008000 0.423800 -1.5842E+01 1.3219E-01 -1.7287E+01 O6 4333 15.999400 -0.847600 -1.7289E+01 -1.9466E+01 -1.1698E+01 H1 4334 1.008000 0.423800 -1.7675E+01 -1.8632E+01 -1.2094E+01 H2 4335 1.008000 0.423800 -1.7318E+01 -1.9406E+01 -1.0701E+01 O6 4336 15.999400 -0.847600 -1.1821E+01 1.6487E+01 1.5847E+01 H1 4337 1.008000 0.423800 -1.1672E+01 1.7464E+01 1.5700E+01 H2 4338 1.008000 0.423800 -1.2007E+01 1.6042E+01 1.4971E+01 O6 4339 15.999400 -0.847600 7.8548E-01 1.1771E+01 4.6975E-01 H1 4340 1.008000 0.423800 1.6277E+00 1.1413E+01 8.7302E-01 H2 4341 1.008000 0.423800 9.8842E-01 1.2175E+01 -4.2246E-01 O6 4342 15.999400 -0.847600 2.5453E+00 1.2243E+01 1.6096E+01 H1 4343 1.008000 0.423800 3.5153E+00 1.2440E+01 1.6239E+01 H2 4344 1.008000 0.423800 2.3782E+00 1.2078E+01 1.5124E+01 O6 4345 15.999400 -0.847600 -1.4923E+01 1.4345E+01 -5.2589E+00 H1 4346 1.008000 0.423800 -1.5755E+01 1.4227E+01 -5.8016E+00 H2 4347 1.008000 0.423800 -1.4677E+01 1.3473E+01 -4.8346E+00 O6 4348 15.999400 -0.847600 4.5169E+00 -1.2783E+01 -2.6345E+00 H1 4349 1.008000 0.423800 3.5247E+00 -1.2900E+01 -2.6759E+00 H2 4350 1.008000 0.423800 4.7528E+00 -1.1846E+01 -2.8907E+00 O6 4351 15.999400 -0.847600 -8.1828E+00 7.2147E+00 -9.8968E-01 H1 4352 1.008000 0.423800 -8.9559E+00 6.5834E+00 -1.0509E+00 H2 4353 1.008000 0.423800 -8.3278E+00 7.9809E+00 -1.6157E+00 O6 4354 15.999400 -0.847600 3.9916E+00 -1.1720E+01 -1.5610E+01 H1 4355 1.008000 0.423800 4.2436E+00 -1.0879E+01 -1.6089E+01 H2 4356 1.008000 0.423800 3.8937E+00 -1.2463E+01 -1.6272E+01 O6 4357 15.999400 -0.847600 1.6834E+01 -1.3380E+01 -1.3407E+01 H1 4358 1.008000 0.423800 1.6103E+01 -1.3100E+01 -1.4029E+01 H2 4359 1.008000 0.423800 1.7467E+01 -1.2617E+01 -1.3271E+01 O6 4360 15.999400 -0.847600 5.2150E+00 8.4946E-01 -7.7081E+00 H1 4361 1.008000 0.423800 4.4778E+00 1.3443E+00 -8.1681E+00 H2 4362 1.008000 0.423800 5.5261E+00 1.3753E+00 -6.9165E+00 O6 4363 15.999400 -0.847600 1.9433E+01 1.0853E+01 9.3836E+00 H1 4364 1.008000 0.423800 -1.9413E+01 1.1759E+01 9.0447E+00 H2 4365 1.008000 0.423800 1.8539E+01 1.0899E+01 9.8279E+00 O6 4366 15.999400 -0.847600 1.7010E+01 -3.9055E+00 1.4292E+01 H1 4367 1.008000 0.423800 1.7541E+01 -3.4932E+00 1.3552E+01 H2 4368 1.008000 0.423800 1.7384E+01 -4.8072E+00 1.4509E+01 O6 4369 15.999400 -0.847600 -8.3176E+00 -9.5600E+00 5.7160E+00 H1 4370 1.008000 0.423800 -8.0068E+00 -8.8712E+00 6.3710E+00 H2 4371 1.008000 0.423800 -9.1303E+00 -1.0019E+01 6.0752E+00 O6 4372 15.999400 -0.847600 -2.9482E+00 5.5300E-01 -1.9345E+01 H1 4373 1.008000 0.423800 -3.2414E+00 8.5095E-01 1.8844E+01 H2 4374 1.008000 0.423800 -3.2075E+00 -4.0301E-01 -1.9208E+01 O6 4375 15.999400 -0.847600 -8.0558E+00 7.5518E+00 1.8218E+00 H1 4376 1.008000 0.423800 -7.9328E+00 7.5385E+00 8.2945E-01 H2 4377 1.008000 0.423800 -7.7249E+00 8.4219E+00 2.1870E+00 O6 4378 15.999400 -0.847600 -3.7489E+00 7.3965E+00 -8.8062E+00 H1 4379 1.008000 0.423800 -4.7450E+00 7.3755E+00 -8.7198E+00 H2 4380 1.008000 0.423800 -3.3419E+00 7.6125E+00 -7.9187E+00 O6 4381 15.999400 -0.847600 1.4517E+01 -8.7793E+00 -1.5373E-01 H1 4382 1.008000 0.423800 1.4693E+01 -9.7458E+00 -3.4019E-01 H2 4383 1.008000 0.423800 1.4771E+01 -8.5704E+00 7.9070E-01 O6 4384 15.999400 -0.847600 1.9390E+01 -1.7573E+01 -2.1924E+00 H1 4385 1.008000 0.423800 1.8616E+01 -1.7203E+01 -1.6772E+00 H2 4386 1.008000 0.423800 -1.8870E+01 -1.7099E+01 -1.9213E+00 O6 4387 15.999400 -0.847600 -2.7709E-01 -1.3728E+01 -1.1691E+01 H1 4388 1.008000 0.423800 7.1487E-01 -1.3675E+01 -1.1807E+01 H2 4389 1.008000 0.423800 -7.0998E-01 -1.3856E+01 -1.2584E+01 O6 4390 15.999400 -0.847600 1.0345E+01 1.0136E+01 -1.4762E+01 H1 4391 1.008000 0.423800 1.0975E+01 1.0183E+01 -1.3987E+01 H2 4392 1.008000 0.423800 9.4044E+00 1.0098E+01 -1.4425E+01 O6 4393 15.999400 -0.847600 2.9123E+00 1.0554E+01 1.4875E+00 H1 4394 1.008000 0.423800 2.5970E+00 9.7372E+00 1.9712E+00 H2 4395 1.008000 0.423800 3.7162E+00 1.0326E+01 9.3805E-01 O6 4396 15.999400 -0.847600 2.2011E+00 -1.1615E+01 1.3915E+01 H1 4397 1.008000 0.423800 2.3457E+00 -1.1049E+01 1.3104E+01 H2 4398 1.008000 0.423800 2.9200E+00 -1.2308E+01 1.3971E+01 O6 4399 15.999400 -0.847600 -1.8696E+01 1.6134E+01 -8.3373E+00 H1 4400 1.008000 0.423800 -1.8850E+01 1.6897E+01 -7.7096E+00 H2 4401 1.008000 0.423800 -1.7923E+01 1.6346E+01 -8.9360E+00 O6 4402 15.999400 -0.847600 1.1526E+01 -8.2729E+00 6.5587E+00 H1 4403 1.008000 0.423800 1.2344E+01 -7.8258E+00 6.9211E+00 H2 4404 1.008000 0.423800 1.0731E+01 -7.6844E+00 6.7069E+00 O6 4405 15.999400 -0.847600 -9.5736E+00 -3.1761E+00 4.4674E+00 H1 4406 1.008000 0.423800 -1.0572E+01 -3.1190E+00 4.4840E+00 H2 4407 1.008000 0.423800 -9.2523E+00 -3.6356E+00 5.2954E+00 O6 4408 15.999400 -0.847600 9.8338E+00 -1.1137E+01 -8.9302E+00 H1 4409 1.008000 0.423800 9.4833E+00 -1.2053E+01 -9.1268E+00 H2 4410 1.008000 0.423800 9.1061E+00 -1.0465E+01 -9.0680E+00 O6 4411 15.999400 -0.847600 -5.8843E+00 -1.0328E+01 -8.7694E+00 H1 4412 1.008000 0.423800 -4.9957E+00 -1.0506E+01 -9.1918E+00 H2 4413 1.008000 0.423800 -6.5434E+00 -1.0070E+01 -9.4760E+00 O6 4414 15.999400 -0.847600 2.9937E+00 7.4391E+00 -9.2737E+00 H1 4415 1.008000 0.423800 2.2920E+00 7.9355E+00 -9.7847E+00 H2 4416 1.008000 0.423800 3.8347E+00 7.9797E+00 -9.2513E+00 O6 4417 15.999400 -0.847600 -1.2221E+01 -7.9291E+00 1.6750E+01 H1 4418 1.008000 0.423800 -1.2678E+01 -7.0399E+00 1.6779E+01 H2 4419 1.008000 0.423800 -1.2412E+01 -8.4291E+00 1.7595E+01 O6 4420 15.999400 -0.847600 -9.0601E+00 1.6969E+01 6.1183E+00 H1 4421 1.008000 0.423800 -8.8027E+00 1.7934E+01 6.0803E+00 H2 4422 1.008000 0.423800 -9.1863E+00 1.6620E+01 5.1894E+00 O6 4423 15.999400 -0.847600 4.3561E+00 -9.4030E-01 -1.8715E+00 H1 4424 1.008000 0.423800 4.9462E+00 -7.1329E-01 -2.6463E+00 H2 4425 1.008000 0.423800 4.3948E+00 -2.0377E-01 -1.1962E+00 O6 4426 15.999400 -0.847600 2.5560E+00 6.3179E+00 -2.5877E+00 H1 4427 1.008000 0.423800 2.8398E+00 5.3594E+00 -2.5582E+00 H2 4428 1.008000 0.423800 3.3487E+00 6.8942E+00 -2.7864E+00 O6 4429 15.999400 -0.847600 -4.8446E+00 -4.7714E+00 -1.4461E+01 H1 4430 1.008000 0.423800 -4.6717E+00 -3.8326E+00 -1.4163E+01 H2 4431 1.008000 0.423800 -4.0123E+00 -5.3146E+00 -1.4351E+01 O6 4432 15.999400 -0.847600 -1.5368E+01 -1.3848E+01 -1.4929E+01 H1 4433 1.008000 0.423800 -1.4723E+01 -1.3246E+01 -1.4458E+01 H2 4434 1.008000 0.423800 -1.6224E+01 -1.3356E+01 -1.5090E+01 O6 4435 15.999400 -0.847600 -5.0034E+00 -6.7415E+00 -8.7964E+00 H1 4436 1.008000 0.423800 -4.6991E+00 -7.5397E+00 -9.3164E+00 H2 4437 1.008000 0.423800 -5.9812E+00 -6.8224E+00 -8.6034E+00 O6 4438 15.999400 -0.847600 -1.7118E+01 1.3737E+01 1.5874E+01 H1 4439 1.008000 0.423800 -1.6926E+01 1.2761E+01 1.5977E+01 H2 4440 1.008000 0.423800 -1.8059E+01 1.3923E+01 1.6157E+01 O6 4441 15.999400 -0.847600 1.9072E+01 1.4499E+01 -1.2499E+01 H1 4442 1.008000 0.423800 1.9351E+01 1.5457E+01 -1.2445E+01 H2 4443 1.008000 0.423800 1.9240E+01 1.4154E+01 -1.3422E+01 O6 4444 15.999400 -0.847600 2.7068E+00 1.1607E+01 -1.7779E+01 H1 4445 1.008000 0.423800 3.1247E+00 1.0712E+01 -1.7932E+01 H2 4446 1.008000 0.423800 2.2410E+00 1.1610E+01 -1.6894E+01 O6 4447 15.999400 -0.847600 9.3741E+00 -5.8945E+00 -1.5089E+01 H1 4448 1.008000 0.423800 9.8306E+00 -5.6903E+00 -1.4223E+01 H2 4449 1.008000 0.423800 9.7548E+00 -6.7341E+00 -1.5476E+01 O6 4450 15.999400 -0.847600 5.5655E+00 -1.6773E+01 8.2159E+00 H1 4451 1.008000 0.423800 5.6633E+00 -1.6668E+01 9.2056E+00 H2 4452 1.008000 0.423800 4.7276E+00 -1.7280E+01 8.0154E+00 O6 4453 15.999400 -0.847600 -5.7224E+00 -1.3903E+01 6.2046E+00 H1 4454 1.008000 0.423800 -6.6880E+00 -1.3891E+01 5.9447E+00 H2 4455 1.008000 0.423800 -5.5122E+00 -1.4766E+01 6.6636E+00 O6 4456 15.999400 -0.847600 7.2646E+00 7.3666E+00 -1.9393E+01 H1 4457 1.008000 0.423800 6.7863E+00 6.5823E+00 -1.8997E+01 H2 4458 1.008000 0.423800 8.0839E+00 7.0508E+00 1.9227E+01 O6 4459 15.999400 -0.847600 -1.3741E+01 -1.0906E+01 1.8164E+01 H1 4460 1.008000 0.423800 -1.4354E+01 -1.1686E+01 1.8042E+01 H2 4461 1.008000 0.423800 -1.2801E+01 -1.1187E+01 1.7970E+01 O6 4462 15.999400 -0.847600 -1.6043E+01 1.1648E+00 2.8276E+00 H1 4463 1.008000 0.423800 -1.5272E+01 1.7631E+00 3.0436E+00 H2 4464 1.008000 0.423800 -1.5707E+01 2.4178E-01 2.6405E+00 O6 4465 15.999400 -0.847600 1.4640E+01 1.2868E+01 4.8731E+00 H1 4466 1.008000 0.423800 1.3965E+01 1.2331E+01 4.3669E+00 H2 4467 1.008000 0.423800 1.5416E+01 1.3075E+01 4.2776E+00 O6 4468 15.999400 -0.847600 8.1786E-01 -7.3533E+00 -1.9112E+01 H1 4469 1.008000 0.423800 1.1986E+00 -7.0996E+00 1.9096E+01 H2 4470 1.008000 0.423800 4.2094E-01 -8.2694E+00 -1.9169E+01 O6 4471 15.999400 -0.847600 4.2627E+00 4.7925E+00 -1.0117E+01 H1 4472 1.008000 0.423800 3.6351E+00 5.4376E+00 -9.6808E+00 H2 4473 1.008000 0.423800 4.3390E+00 5.0079E+00 -1.1090E+01 O6 4474 15.999400 -0.847600 1.7715E+01 -7.3456E+00 -6.7161E+00 H1 4475 1.008000 0.423800 1.6718E+01 -7.3265E+00 -6.7937E+00 H2 4476 1.008000 0.423800 1.8048E+01 -6.4353E+00 -6.4698E+00 O6 4477 15.999400 -0.847600 1.1594E+01 -1.5648E+01 -8.4530E+00 H1 4478 1.008000 0.423800 1.2388E+01 -1.5043E+01 -8.4049E+00 H2 4479 1.008000 0.423800 1.0994E+01 -1.5353E+01 -9.1967E+00 O6 4480 15.999400 -0.847600 1.1553E+00 -3.1033E+00 -5.4112E+00 H1 4481 1.008000 0.423800 4.5990E-01 -3.5207E+00 -4.8262E+00 H2 4482 1.008000 0.423800 1.6220E+00 -2.3764E+00 -4.9073E+00 O6 4483 15.999400 -0.847600 1.1580E+01 4.5529E+00 -1.5504E+01 H1 4484 1.008000 0.423800 1.1941E+01 5.2121E+00 -1.4845E+01 H2 4485 1.008000 0.423800 1.0584E+01 4.5074E+00 -1.5418E+01 O6 4486 15.999400 -0.847600 -4.8130E+00 -1.3953E+01 1.3562E+01 H1 4487 1.008000 0.423800 -5.5141E+00 -1.4610E+01 1.3839E+01 H2 4488 1.008000 0.423800 -3.9116E+00 -1.4297E+01 1.3826E+01 O6 4489 15.999400 -0.847600 1.6206E+01 2.2187E+00 -9.7766E+00 H1 4490 1.008000 0.423800 1.6565E+01 1.7189E+00 -8.9884E+00 H2 4491 1.008000 0.423800 1.5775E+01 3.0654E+00 -9.4659E+00 O6 4492 15.999400 -0.847600 -1.2911E+01 -1.4649E+01 1.2311E+01 H1 4493 1.008000 0.423800 -1.3197E+01 -1.3834E+01 1.2814E+01 H2 4494 1.008000 0.423800 -1.3126E+01 -1.5465E+01 1.2850E+01 O6 4495 15.999400 -0.847600 1.6022E+01 1.6273E+01 -5.5935E+00 H1 4496 1.008000 0.423800 1.5903E+01 1.5852E+01 -6.4927E+00 H2 4497 1.008000 0.423800 1.6998E+01 1.6339E+01 -5.3833E+00 O6 4498 15.999400 -0.847600 -9.1919E+00 1.5157E+01 -1.6822E+00 H1 4499 1.008000 0.423800 -9.7285E+00 1.5344E+01 -8.5939E-01 H2 4500 1.008000 0.423800 -9.3339E+00 1.5891E+01 -2.3467E+00 O6 4501 15.999400 -0.847600 -2.2584E+00 -5.9438E+00 -1.4446E+01 H1 4502 1.008000 0.423800 -2.0945E+00 -6.8880E+00 -1.4160E+01 H2 4503 1.008000 0.423800 -1.8217E+00 -5.7831E+00 -1.5331E+01 O6 4504 15.999400 -0.847600 -1.9533E+01 7.5733E+00 1.8160E+01 H1 4505 1.008000 0.423800 -1.8892E+01 6.9161E+00 1.7764E+01 H2 4506 1.008000 0.423800 1.9413E+01 8.3217E+00 1.7514E+01 O6 4507 15.999400 -0.847600 -8.7470E+00 -3.4773E+00 -1.7958E+01 H1 4508 1.008000 0.423800 -9.5112E+00 -4.0083E+00 -1.7592E+01 H2 4509 1.008000 0.423800 -8.6265E+00 -3.6915E+00 -1.8927E+01 O6 4510 15.999400 -0.847600 -6.8352E+00 -1.7585E+01 -4.1946E+00 H1 4511 1.008000 0.423800 -7.0116E+00 -1.6884E+01 -3.5035E+00 H2 4512 1.008000 0.423800 -5.8485E+00 -1.7714E+01 -4.2942E+00 O6 4513 15.999400 -0.847600 -1.2922E+01 -8.4764E+00 -1.9120E+01 H1 4514 1.008000 0.423800 -1.3307E+01 -9.2585E+00 1.9487E+01 H2 4515 1.008000 0.423800 -1.2920E+01 -8.6665E+00 -1.8138E+01 O6 4516 15.999400 -0.847600 -1.4996E+01 -4.9103E+00 7.9791E+00 H1 4517 1.008000 0.423800 -1.5322E+01 -4.0845E+00 8.4393E+00 H2 4518 1.008000 0.423800 -1.4227E+01 -5.2947E+00 8.4895E+00 O6 4519 15.999400 -0.847600 6.4928E+00 1.9522E+01 3.4045E+00 H1 4520 1.008000 0.423800 6.4028E+00 -1.8691E+01 2.9469E+00 H2 4521 1.008000 0.423800 7.4202E+00 1.9172E+01 3.2734E+00 O6 4522 15.999400 -0.847600 1.0290E+01 1.8693E+01 -2.4712E+00 H1 4523 1.008000 0.423800 1.0861E+01 1.9026E+01 -1.7207E+00 H2 4524 1.008000 0.423800 1.0791E+01 1.8001E+01 -2.9902E+00 O6 4525 15.999400 -0.847600 1.1584E+01 1.3099E+01 7.2177E+00 H1 4526 1.008000 0.423800 1.0889E+01 1.3327E+01 7.8998E+00 H2 4527 1.008000 0.423800 1.2150E+01 1.2347E+01 7.5568E+00 O6 4528 15.999400 -0.847600 -1.2841E+01 -1.2473E+01 -5.9423E+00 H1 4529 1.008000 0.423800 -1.3607E+01 -1.3063E+01 -6.1981E+00 H2 4530 1.008000 0.423800 -1.3183E+01 -1.1688E+01 -5.4257E+00 O6 4531 15.999400 -0.847600 -9.0892E+00 -8.6480E+00 1.0591E+01 H1 4532 1.008000 0.423800 -9.7474E+00 -9.3883E+00 1.0728E+01 H2 4533 1.008000 0.423800 -8.4161E+00 -8.6594E+00 1.1330E+01 O6 4534 15.999400 -0.847600 -8.5595E+00 -1.0516E+01 1.7916E+01 H1 4535 1.008000 0.423800 -8.1545E+00 -1.1077E+01 1.8638E+01 H2 4536 1.008000 0.423800 -8.8939E+00 -1.1108E+01 1.7183E+01 O6 4537 15.999400 -0.847600 -1.1785E+01 -3.9195E+00 1.6569E+01 H1 4538 1.008000 0.423800 -1.2503E+01 -3.3612E+00 1.6154E+01 H2 4539 1.008000 0.423800 -1.1058E+01 -4.0785E+00 1.5901E+01 O6 4540 15.999400 -0.847600 -1.6130E+01 -6.7731E+00 -1.7154E+01 H1 4541 1.008000 0.423800 -1.5325E+01 -6.2114E+00 -1.6961E+01 H2 4542 1.008000 0.423800 -1.6687E+01 -6.8539E+00 -1.6328E+01 O6 4543 15.999400 -0.847600 -1.3182E+01 1.3051E+01 -1.3603E+01 H1 4544 1.008000 0.423800 -1.3309E+01 1.2156E+01 -1.3174E+01 H2 4545 1.008000 0.423800 -1.3343E+01 1.3770E+01 -1.2928E+01 O6 4546 15.999400 -0.847600 -1.0450E+01 -8.1154E+00 -6.4222E+00 H1 4547 1.008000 0.423800 -1.0102E+01 -8.7616E+00 -7.1014E+00 H2 4548 1.008000 0.423800 -1.1008E+01 -7.4218E+00 -6.8775E+00 O6 4549 15.999400 -0.847600 5.7609E+00 -1.9275E+01 1.2824E+01 H1 4550 1.008000 0.423800 6.3507E+00 -1.8472E+01 1.2912E+01 H2 4551 1.008000 0.423800 6.1688E+00 1.9179E+01 1.2176E+01 O6 4552 15.999400 -0.847600 8.8991E+00 2.9919E+00 1.0304E+01 H1 4553 1.008000 0.423800 9.7144E+00 3.1722E+00 1.0855E+01 H2 4554 1.008000 0.423800 8.2012E+00 2.5587E+00 1.0875E+01 O6 4555 15.999400 -0.847600 3.8399E+00 1.3872E+01 -1.9184E+01 H1 4556 1.008000 0.423800 3.3754E+00 1.3099E+01 -1.8752E+01 H2 4557 1.008000 0.423800 4.5047E+00 1.4260E+01 -1.8546E+01 O6 4558 15.999400 -0.847600 -1.0449E+01 -7.6073E+00 1.3108E-01 H1 4559 1.008000 0.423800 -1.0155E+01 -6.6515E+00 1.2885E-01 H2 4560 1.008000 0.423800 -1.0179E+01 -8.0370E+00 9.9276E-01 O6 4561 15.999400 -0.847600 -3.0630E-01 -5.4682E+00 -7.4948E+00 H1 4562 1.008000 0.423800 5.6187E-01 -5.3956E+00 -7.9858E+00 H2 4563 1.008000 0.423800 -7.1840E-01 -4.5610E+00 -7.4106E+00 O6 4564 15.999400 -0.847600 5.9472E+00 1.3180E+01 -2.5592E+00 H1 4565 1.008000 0.423800 5.9077E+00 1.2265E+01 -2.9608E+00 H2 4566 1.008000 0.423800 5.1409E+00 1.3327E+01 -1.9864E+00 O6 4567 15.999400 -0.847600 4.2906E+00 -6.5861E+00 -1.0783E+01 H1 4568 1.008000 0.423800 3.9188E+00 -7.4214E+00 -1.1188E+01 H2 4569 1.008000 0.423800 5.1396E+00 -6.7993E+00 -1.0300E+01 O6 4570 15.999400 -0.847600 -5.8609E+00 6.6192E+00 -1.7559E+01 H1 4571 1.008000 0.423800 -6.6742E+00 6.1380E+00 -1.7232E+01 H2 4572 1.008000 0.423800 -5.9191E+00 6.7361E+00 -1.8551E+01 O6 4573 15.999400 -0.847600 -1.7598E+01 3.7208E+00 -1.8012E+00 H1 4574 1.008000 0.423800 -1.7407E+01 2.8813E+00 -2.3098E+00 H2 4575 1.008000 0.423800 -1.8127E+01 3.5004E+00 -9.8158E-01 O6 4576 15.999400 -0.847600 -1.0100E+01 1.0201E+01 1.9503E+01 H1 4577 1.008000 0.423800 -9.3654E+00 9.5975E+00 1.9194E+01 H2 4578 1.008000 0.423800 -9.7378E+00 1.1123E+01 -1.9454E+01 O6 4579 15.999400 -0.847600 -7.2022E+00 -1.8262E+01 -6.8576E+00 H1 4580 1.008000 0.423800 -7.0987E+00 -1.7494E+01 -7.4903E+00 H2 4581 1.008000 0.423800 -7.5131E+00 -1.7922E+01 -5.9699E+00 O6 4582 15.999400 -0.847600 5.3189E-01 1.4318E+01 4.4926E+00 H1 4583 1.008000 0.423800 9.9392E-01 1.3552E+01 4.0461E+00 H2 4584 1.008000 0.423800 5.8155E-01 1.4205E+01 5.4849E+00 O6 4585 15.999400 -0.847600 -7.8588E+00 -2.4835E+00 -2.4659E+00 H1 4586 1.008000 0.423800 -7.7988E+00 -2.5979E+00 -3.4576E+00 H2 4587 1.008000 0.423800 -7.9580E+00 -1.5127E+00 -2.2478E+00 O6 4588 15.999400 -0.847600 -1.1272E+00 1.6768E+01 1.2894E+01 H1 4589 1.008000 0.423800 -1.8017E+00 1.7069E+01 1.3568E+01 H2 4590 1.008000 0.423800 -2.3455E-01 1.7159E+01 1.3118E+01 O6 4591 15.999400 -0.847600 -1.7362E+01 1.1840E+00 -4.3221E+00 H1 4592 1.008000 0.423800 -1.7906E+01 6.6816E-01 -3.6604E+00 H2 4593 1.008000 0.423800 -1.7955E+01 1.8185E+00 -4.8184E+00 O6 4594 15.999400 -0.847600 -1.9462E+00 1.7230E+01 1.7636E+01 H1 4595 1.008000 0.423800 -9.9498E-01 1.7068E+01 1.7898E+01 H2 4596 1.008000 0.423800 -2.4707E+00 1.6386E+01 1.7744E+01 O6 4597 15.999400 -0.847600 4.5281E+00 1.2165E+01 -1.4449E+01 H1 4598 1.008000 0.423800 3.6091E+00 1.1855E+01 -1.4692E+01 H2 4599 1.008000 0.423800 5.1812E+00 1.1841E+01 -1.5134E+01 O6 4600 15.999400 -0.847600 1.3496E+01 -8.9053E+00 -7.3595E+00 H1 4601 1.008000 0.423800 1.4134E+01 -9.6677E+00 -7.4685E+00 H2 4602 1.008000 0.423800 1.4008E+01 -8.0654E+00 -7.1800E+00 O6 4603 15.999400 -0.847600 -1.9371E+01 -8.6054E+00 -8.3827E+00 H1 4604 1.008000 0.423800 -1.9405E+01 -9.6048E+00 -8.3801E+00 H2 4605 1.008000 0.423800 1.8826E+01 -8.2410E+00 -8.1448E+00 O6 4606 15.999400 -0.847600 1.3670E+01 1.6204E+01 -1.0083E+01 H1 4607 1.008000 0.423800 1.4477E+01 1.5826E+01 -9.6290E+00 H2 4608 1.008000 0.423800 1.3902E+01 1.7083E+01 -1.0499E+01 O6 4609 15.999400 -0.847600 -7.6248E-01 -5.3831E+00 -1.6800E+01 H1 4610 1.008000 0.423800 -5.1245E-01 -4.4302E+00 -1.6629E+01 H2 4611 1.008000 0.423800 -4.8909E-02 -5.9848E+00 -1.6441E+01 O6 4612 15.999400 -0.847600 1.1164E+01 6.9798E+00 -1.2259E+00 H1 4613 1.008000 0.423800 1.1530E+01 7.8926E+00 -1.0437E+00 H2 4614 1.008000 0.423800 1.1470E+01 6.6719E+00 -2.1268E+00 O6 4615 15.999400 -0.847600 -5.9724E+00 2.3839E+00 1.5472E+01 H1 4616 1.008000 0.423800 -6.2470E+00 3.0911E+00 1.4820E+01 H2 4617 1.008000 0.423800 -5.9014E+00 2.7826E+00 1.6386E+01 O6 4618 15.999400 -0.847600 6.8213E-01 -4.9177E+00 -1.1781E+01 H1 4619 1.008000 0.423800 1.1022E+00 -5.2801E+00 -1.2613E+01 H2 4620 1.008000 0.423800 -2.4934E-01 -4.6149E+00 -1.1982E+01 O6 4621 15.999400 -0.847600 5.3924E+00 7.6330E+00 -1.5587E+01 H1 4622 1.008000 0.423800 6.1309E+00 7.5296E+00 -1.6253E+01 H2 4623 1.008000 0.423800 5.7492E+00 7.4731E+00 -1.4667E+01 O6 4624 15.999400 -0.847600 -5.0428E+00 5.8380E-02 -1.2009E+01 H1 4625 1.008000 0.423800 -4.3345E+00 2.5320E-01 -1.1331E+01 H2 4626 1.008000 0.423800 -5.2777E+00 8.9938E-01 -1.2497E+01 O6 4627 15.999400 -0.847600 -1.6434E+01 -7.3883E+00 8.7917E+00 H1 4628 1.008000 0.423800 -1.5917E+01 -6.5507E+00 8.9693E+00 H2 4629 1.008000 0.423800 -1.5960E+01 -7.9311E+00 8.0981E+00 O6 4630 15.999400 -0.847600 4.1772E+00 -1.1282E+01 7.3560E+00 H1 4631 1.008000 0.423800 5.0943E+00 -1.0885E+01 7.3849E+00 H2 4632 1.008000 0.423800 3.8427E+00 -1.1417E+01 8.2888E+00 O6 4633 15.999400 -0.847600 8.6422E+00 -7.1640E+00 5.0838E+00 H1 4634 1.008000 0.423800 8.3539E+00 -8.1157E+00 4.9779E+00 H2 4635 1.008000 0.423800 8.8745E+00 -6.9908E+00 6.0409E+00 O6 4636 15.999400 -0.847600 -1.3384E+01 1.3375E+01 6.3931E+00 H1 4637 1.008000 0.423800 -1.2555E+01 1.3548E+01 6.9243E+00 H2 4638 1.008000 0.423800 -1.3764E+01 1.4244E+01 6.0758E+00 O6 4639 15.999400 -0.847600 1.7465E+01 -9.9684E+00 -6.5337E+00 H1 4640 1.008000 0.423800 1.7742E+01 -9.0078E+00 -6.5103E+00 H2 4641 1.008000 0.423800 1.7463E+01 -1.0337E+01 -5.6043E+00 O6 4642 15.999400 -0.847600 1.7457E+00 1.7497E+01 -1.2511E+01 H1 4643 1.008000 0.423800 2.3569E+00 1.7718E+01 -1.1751E+01 H2 4644 1.008000 0.423800 8.0693E-01 1.7738E+01 -1.2265E+01 O6 4645 15.999400 -0.847600 1.0953E+01 1.4658E+01 -1.4862E+01 H1 4646 1.008000 0.423800 1.1442E+01 1.4992E+01 -1.4055E+01 H2 4647 1.008000 0.423800 1.1440E+01 1.4944E+01 -1.5687E+01 O6 4648 15.999400 -0.847600 -1.7645E+01 1.3685E+01 -1.6930E+01 H1 4649 1.008000 0.423800 -1.6859E+01 1.3066E+01 -1.6925E+01 H2 4650 1.008000 0.423800 -1.8064E+01 1.3685E+01 -1.7838E+01 O6 4651 15.999400 -0.847600 -7.9733E+00 -5.8802E+00 1.6383E+01 H1 4652 1.008000 0.423800 -7.0025E+00 -6.1197E+00 1.6401E+01 H2 4653 1.008000 0.423800 -8.4981E+00 -6.5793E+00 1.6869E+01 O6 4654 15.999400 -0.847600 -5.7180E+00 5.3885E+00 7.5508E+00 H1 4655 1.008000 0.423800 -6.1249E+00 6.2619E+00 7.2832E+00 H2 4656 1.008000 0.423800 -6.3805E+00 4.8614E+00 8.0830E+00 O6 4657 15.999400 -0.847600 -1.5041E+01 1.7302E+01 -4.9678E+00 H1 4658 1.008000 0.423800 -1.4104E+01 1.7639E+01 -5.0643E+00 H2 4659 1.008000 0.423800 -1.5097E+01 1.6368E+01 -5.3194E+00 O6 4660 15.999400 -0.847600 8.7109E+00 1.8232E+01 2.3557E+00 H1 4661 1.008000 0.423800 8.6687E+00 1.7529E+01 3.0665E+00 H2 4662 1.008000 0.423800 9.3465E+00 1.7943E+01 1.6396E+00 O6 4663 15.999400 -0.847600 1.0094E+01 -1.8168E+01 1.2122E+01 H1 4664 1.008000 0.423800 1.0587E+01 -1.8428E+01 1.1291E+01 H2 4665 1.008000 0.423800 1.0525E+01 -1.7363E+01 1.2527E+01 O6 4666 15.999400 -0.847600 -1.1261E+00 -1.6265E+01 -4.9666E+00 H1 4667 1.008000 0.423800 -1.8562E+00 -1.6642E+01 -5.5361E+00 H2 4668 1.008000 0.423800 -5.6428E-01 -1.7010E+01 -4.6076E+00 O6 4669 15.999400 -0.847600 -1.1625E+01 1.9267E+01 1.3348E+01 H1 4670 1.008000 0.423800 -1.2088E+01 -1.9046E+01 1.3760E+01 H2 4671 1.008000 0.423800 -1.2305E+01 1.8649E+01 1.2952E+01 O6 4672 15.999400 -0.847600 8.6527E-01 -3.7435E+00 -7.0951E-01 H1 4673 1.008000 0.423800 8.6274E-01 -2.9152E+00 -1.4922E-01 H2 4674 1.008000 0.423800 1.4399E+00 -4.4375E+00 -2.7572E-01 O6 4675 15.999400 -0.847600 -1.4457E+01 -1.7314E+01 8.6065E+00 H1 4676 1.008000 0.423800 -1.3915E+01 -1.7473E+01 9.4320E+00 H2 4677 1.008000 0.423800 -1.4906E+01 -1.6423E+01 8.6695E+00 O6 4678 15.999400 -0.847600 8.7288E-01 -1.9203E+00 1.6473E+01 H1 4679 1.008000 0.423800 -9.5331E-02 -1.6831E+00 1.6394E+01 H2 4680 1.008000 0.423800 1.1413E+00 -1.9063E+00 1.7436E+01 O6 4681 15.999400 -0.847600 -1.5396E+01 5.9114E+00 -2.3925E+00 H1 4682 1.008000 0.423800 -1.6199E+01 5.9813E+00 -2.9840E+00 H2 4683 1.008000 0.423800 -1.5632E+01 5.3949E+00 -1.5694E+00 O6 4684 15.999400 -0.847600 -1.0797E+01 1.0370E+01 -2.4707E+00 H1 4685 1.008000 0.423800 -1.1120E+01 1.1217E+01 -2.8926E+00 H2 4686 1.008000 0.423800 -1.0066E+01 1.0578E+01 -1.8219E+00 O6 4687 15.999400 -0.847600 7.5956E+00 -1.7239E+00 -4.0714E-01 H1 4688 1.008000 0.423800 7.2405E+00 -2.0665E+00 -1.2770E+00 H2 4689 1.008000 0.423800 7.6349E+00 -2.4724E+00 2.5475E-01 O6 4690 15.999400 -0.847600 1.4424E+01 -9.8203E+00 8.1305E+00 H1 4691 1.008000 0.423800 1.4178E+01 -1.0135E+01 9.0472E+00 H2 4692 1.008000 0.423800 1.3763E+01 -1.0172E+01 7.4682E+00 O6 4693 15.999400 -0.847600 2.4496E+00 -4.7061E+00 -1.6294E+01 H1 4694 1.008000 0.423800 3.2359E+00 -5.0758E+00 -1.6789E+01 H2 4695 1.008000 0.423800 2.1209E+00 -3.8831E+00 -1.6757E+01 O6 4696 15.999400 -0.847600 -1.5097E+01 -1.7708E+01 -8.7854E+00 H1 4697 1.008000 0.423800 -1.4220E+01 -1.7769E+01 -9.2623E+00 H2 4698 1.008000 0.423800 -1.5751E+01 -1.7210E+01 -9.3538E+00 O6 4699 15.999400 -0.847600 -1.2157E+01 -1.1756E+01 -1.7152E+01 H1 4700 1.008000 0.423800 -1.2036E+01 -1.2696E+01 -1.6831E+01 H2 4701 1.008000 0.423800 -1.2683E+01 -1.1760E+01 -1.8002E+01 O6 4702 15.999400 -0.847600 -1.4623E+01 6.9624E+00 -1.3874E+01 H1 4703 1.008000 0.423800 -1.5071E+01 7.6238E+00 -1.3273E+01 H2 4704 1.008000 0.423800 -1.4665E+01 7.2882E+00 -1.4818E+01 O6 4705 15.999400 -0.847600 1.2131E+01 -6.8450E+00 -1.9490E+01 H1 4706 1.008000 0.423800 1.1514E+01 -6.9427E+00 1.8826E+01 H2 4707 1.008000 0.423800 1.2980E+01 -7.3404E+00 1.9425E+01 O6 4708 15.999400 -0.847600 -7.0627E+00 -1.9115E+01 -8.1182E-01 H1 4709 1.008000 0.423800 -7.7831E+00 1.9312E+01 -9.9060E-01 H2 4710 1.008000 0.423800 -7.1075E+00 -1.8825E+01 1.4402E-01 O6 4711 15.999400 -0.847600 4.2701E+00 1.3672E+01 4.8269E+00 H1 4712 1.008000 0.423800 5.0178E+00 1.4107E+01 4.3244E+00 H2 4713 1.008000 0.423800 3.8161E+00 1.4353E+01 5.4024E+00 O6 4714 15.999400 -0.847600 1.4860E+01 -4.6344E-01 1.0823E+01 H1 4715 1.008000 0.423800 1.4686E+01 -8.1603E-01 1.1742E+01 H2 4716 1.008000 0.423800 1.3996E+01 -3.8961E-01 1.0325E+01 O6 4717 15.999400 -0.847600 4.6326E-02 1.1857E+01 1.7034E+01 H1 4718 1.008000 0.423800 -5.3210E-01 1.1290E+01 1.6447E+01 H2 4719 1.008000 0.423800 9.8101E-01 1.1859E+01 1.6678E+01 O6 4720 15.999400 -0.847600 1.6986E+01 2.8537E+00 -3.3014E+00 H1 4721 1.008000 0.423800 1.7432E+01 2.5189E+00 -4.1313E+00 H2 4722 1.008000 0.423800 1.6372E+01 3.6082E+00 -3.5342E+00 O6 4723 15.999400 -0.847600 1.3364E+01 -1.6532E+01 1.1452E+01 H1 4724 1.008000 0.423800 1.2775E+01 -1.6305E+01 1.2228E+01 H2 4725 1.008000 0.423800 1.3097E+01 -1.5984E+01 1.0659E+01 O6 4726 15.999400 -0.847600 -1.1358E+00 -1.5130E+01 8.3276E+00 H1 4727 1.008000 0.423800 -1.3620E+00 -1.6104E+01 8.2993E+00 H2 4728 1.008000 0.423800 -5.9846E-01 -1.4889E+01 7.5194E+00 O6 4729 15.999400 -0.847600 1.4287E-01 -1.2209E+01 1.5766E+01 H1 4730 1.008000 0.423800 6.7251E-01 -1.2064E+01 1.4930E+01 H2 4731 1.008000 0.423800 3.6927E-01 -1.1498E+01 1.6431E+01 O6 4732 15.999400 -0.847600 1.8178E+01 2.9297E+00 -1.1398E+01 H1 4733 1.008000 0.423800 1.7438E+01 2.7260E+00 -1.0756E+01 H2 4734 1.008000 0.423800 1.8980E+01 2.3785E+00 -1.1168E+01 O6 4735 15.999400 -0.847600 -1.7700E+01 -1.2904E+01 1.2211E+01 H1 4736 1.008000 0.423800 -1.8126E+01 -1.2763E+01 1.1317E+01 H2 4737 1.008000 0.423800 -1.6712E+01 -1.2769E+01 1.2135E+01 O6 4738 15.999400 -0.847600 1.1819E+01 -1.5631E+01 1.3466E+01 H1 4739 1.008000 0.423800 1.2572E+01 -1.5692E+01 1.4122E+01 H2 4740 1.008000 0.423800 1.1515E+01 -1.4681E+01 1.3396E+01 O6 4741 15.999400 -0.847600 1.1713E+01 1.5724E+01 -4.4957E+00 H1 4742 1.008000 0.423800 1.2613E+01 1.5681E+01 -4.0628E+00 H2 4743 1.008000 0.423800 1.1578E+01 1.6631E+01 -4.8958E+00 O6 4744 15.999400 -0.847600 1.4699E+01 -1.1250E+01 -1.3671E+00 H1 4745 1.008000 0.423800 1.3835E+01 -1.1471E+01 -1.8178E+00 H2 4746 1.008000 0.423800 1.4982E+01 -1.2019E+01 -7.9364E-01 O6 4747 15.999400 -0.847600 9.2837E+00 9.4080E+00 7.5062E+00 H1 4748 1.008000 0.423800 9.4879E+00 8.9031E+00 6.6675E+00 H2 4749 1.008000 0.423800 9.0667E+00 1.0357E+01 7.2791E+00 O6 4750 15.999400 -0.847600 1.2080E+01 -1.1701E+01 -7.1303E+00 H1 4751 1.008000 0.423800 1.2717E+01 -1.2332E+01 -7.5728E+00 H2 4752 1.008000 0.423800 1.1329E+01 -1.1491E+01 -7.7569E+00 O6 4753 15.999400 -0.847600 1.3998E+01 -1.9277E+01 1.1276E+01 H1 4754 1.008000 0.423800 1.3676E+01 -1.8341E+01 1.1419E+01 H2 4755 1.008000 0.423800 1.3654E+01 1.9480E+01 1.0401E+01 O6 4756 15.999400 -0.847600 -6.7382E+00 5.3137E+00 4.7133E+00 H1 4757 1.008000 0.423800 -5.8558E+00 5.4988E+00 4.2807E+00 H2 4758 1.008000 0.423800 -6.7943E+00 4.3450E+00 4.9549E+00 O6 4759 15.999400 -0.847600 3.2927E-01 1.6257E+01 8.0243E+00 H1 4760 1.008000 0.423800 2.8479E-01 1.5264E+01 8.1323E+00 H2 4761 1.008000 0.423800 1.9972E-01 1.6493E+01 7.0614E+00 O6 4762 15.999400 -0.847600 1.4760E+01 -1.5855E+01 8.9418E+00 H1 4763 1.008000 0.423800 1.4912E+01 -1.6840E+01 8.8609E+00 H2 4764 1.008000 0.423800 1.3781E+01 -1.5676E+01 9.0413E+00 O6 4765 15.999400 -0.847600 -1.3444E+01 -2.8223E+00 -5.1355E+00 H1 4766 1.008000 0.423800 -1.3551E+01 -2.1507E+00 -4.4024E+00 H2 4767 1.008000 0.423800 -1.2712E+01 -2.5296E+00 -5.7511E+00 O6 4768 15.999400 -0.847600 9.2547E+00 6.0651E+00 4.2788E-01 H1 4769 1.008000 0.423800 1.0073E+01 6.5294E+00 8.8856E-02 H2 4770 1.008000 0.423800 9.3848E+00 5.0753E+00 3.6943E-01 O6 4771 15.999400 -0.847600 1.4246E+01 1.5950E+01 1.1853E+01 H1 4772 1.008000 0.423800 1.4966E+01 1.6046E+01 1.2541E+01 H2 4773 1.008000 0.423800 1.3430E+01 1.6443E+01 1.2153E+01 O6 4774 15.999400 -0.847600 1.8203E+01 1.6030E+01 -2.5519E+00 H1 4775 1.008000 0.423800 1.9129E+01 1.6152E+01 -2.1935E+00 H2 4776 1.008000 0.423800 1.8235E+01 1.5991E+01 -3.5506E+00 O6 4777 15.999400 -0.847600 5.2664E+00 -5.8426E+00 1.4897E+01 H1 4778 1.008000 0.423800 5.8658E+00 -5.4597E+00 1.4194E+01 H2 4779 1.008000 0.423800 5.7477E+00 -5.8573E+00 1.5774E+01 O6 4780 15.999400 -0.847600 -1.7318E+01 1.0261E+01 1.7947E+00 H1 4781 1.008000 0.423800 -1.7925E+01 9.7198E+00 2.3767E+00 H2 4782 1.008000 0.423800 -1.7751E+01 1.1139E+01 1.5883E+00 O6 4783 15.999400 -0.847600 1.4703E+01 7.0608E+00 2.5461E+00 H1 4784 1.008000 0.423800 1.4980E+01 7.7804E+00 3.1830E+00 H2 4785 1.008000 0.423800 1.5391E+01 6.3351E+00 2.5439E+00 O6 4786 15.999400 -0.847600 -7.1412E+00 -1.5963E+01 -8.1913E+00 H1 4787 1.008000 0.423800 -7.7816E+00 -1.5655E+01 -8.8952E+00 H2 4788 1.008000 0.423800 -6.2055E+00 -1.5762E+01 -8.4813E+00 O6 4789 15.999400 -0.847600 1.8206E+01 -1.8646E+01 1.3167E+00 H1 4790 1.008000 0.423800 1.8858E+01 -1.8624E+01 5.5831E-01 H2 4791 1.008000 0.423800 1.8681E+01 -1.8432E+01 2.1703E+00 O6 4792 15.999400 -0.847600 1.0613E+01 6.8956E+00 -8.8274E+00 H1 4793 1.008000 0.423800 1.1307E+01 7.6082E+00 -8.7283E+00 H2 4794 1.008000 0.423800 1.0851E+01 6.3030E+00 -9.5969E+00 O6 4795 15.999400 -0.847600 8.5352E+00 -1.3647E+00 -1.5368E+01 H1 4796 1.008000 0.423800 8.8448E+00 -4.2995E-01 -1.5542E+01 H2 4797 1.008000 0.423800 8.1699E+00 -1.4268E+00 -1.4439E+01 O6 4798 15.999400 -0.847600 8.2201E+00 -1.0949E+01 -2.8403E-01 H1 4799 1.008000 0.423800 9.2087E+00 -1.1014E+01 -1.4855E-01 H2 4800 1.008000 0.423800 7.8205E+00 -1.1865E+01 -2.6825E-01 O6 4801 15.999400 -0.847600 1.0681E+01 -1.9510E+01 -8.0324E+00 H1 4802 1.008000 0.423800 1.1668E+01 -1.9404E+01 -7.9170E+00 H2 4803 1.008000 0.423800 1.0394E+01 1.8706E+01 -7.6570E+00 O6 4804 15.999400 -0.847600 -1.2686E+01 -1.6469E+01 -1.2290E+01 H1 4805 1.008000 0.423800 -1.2735E+01 -1.7140E+01 -1.1550E+01 H2 4806 1.008000 0.423800 -1.3612E+01 -1.6220E+01 -1.2576E+01 O6 4807 15.999400 -0.847600 7.2238E+00 2.4698E+00 -1.0651E+01 H1 4808 1.008000 0.423800 7.1072E+00 2.2290E+00 -1.1614E+01 H2 4809 1.008000 0.423800 7.2167E+00 1.6378E+00 -1.0096E+01 O6 4810 15.999400 -0.847600 -1.3329E+01 -1.0931E+01 -2.2563E+00 H1 4811 1.008000 0.423800 -1.3232E+01 -1.0535E+01 -3.1697E+00 H2 4812 1.008000 0.423800 -1.3175E+01 -1.1918E+01 -2.3025E+00 O6 4813 15.999400 -0.847600 -1.3418E+01 7.9943E+00 -1.7650E+01 H1 4814 1.008000 0.423800 -1.3313E+01 7.1507E+00 -1.8177E+01 H2 4815 1.008000 0.423800 -1.2856E+01 7.9433E+00 -1.6825E+01 O6 4816 15.999400 -0.847600 -1.8744E+01 1.0169E+01 -1.0616E+01 H1 4817 1.008000 0.423800 -1.8721E+01 9.5917E+00 -9.8005E+00 H2 4818 1.008000 0.423800 -1.8670E+01 1.1130E+01 -1.0347E+01 O6 4819 15.999400 -0.847600 -1.9469E+01 -1.4430E+01 1.5732E+01 H1 4820 1.008000 0.423800 1.9272E+01 -1.3508E+01 1.5583E+01 H2 4821 1.008000 0.423800 1.9229E+01 -1.5055E+01 1.5063E+01 O6 4822 15.999400 -0.847600 1.6249E+01 1.6411E+01 1.3610E+01 H1 4823 1.008000 0.423800 1.6282E+01 1.7308E+01 1.3168E+01 H2 4824 1.008000 0.423800 1.7144E+01 1.6200E+01 1.4003E+01 O6 4825 15.999400 -0.847600 -2.7913E+00 -1.7242E+01 1.6725E+00 H1 4826 1.008000 0.423800 -2.5047E+00 -1.8130E+01 1.3137E+00 H2 4827 1.008000 0.423800 -3.7886E+00 -1.7176E+01 1.6409E+00 O6 4828 15.999400 -0.847600 -9.7775E+00 -4.0526E+00 -1.1114E+01 H1 4829 1.008000 0.423800 -9.3919E+00 -4.9753E+00 -1.1109E+01 H2 4830 1.008000 0.423800 -9.2693E+00 -3.4823E+00 -1.1759E+01 O6 4831 15.999400 -0.847600 8.1525E+00 4.1970E+00 -6.6082E+00 H1 4832 1.008000 0.423800 8.7321E+00 3.4255E+00 -6.8709E+00 H2 4833 1.008000 0.423800 7.3848E+00 4.2689E+00 -7.2449E+00 O6 4834 15.999400 -0.847600 1.2560E+01 8.7090E+00 9.3171E-01 H1 4835 1.008000 0.423800 1.3249E+01 8.9004E+00 1.6317E+00 H2 4836 1.008000 0.423800 1.2658E+01 9.3622E+00 1.8084E-01 O6 4837 15.999400 -0.847600 1.0308E+01 -3.2131E-01 6.3208E+00 H1 4838 1.008000 0.423800 1.0385E+01 2.7614E-01 7.1190E+00 H2 4839 1.008000 0.423800 9.4336E+00 -1.5638E-01 5.8646E+00 O6 4840 15.999400 -0.847600 -3.2187E+00 -5.8848E+00 -6.7749E+00 H1 4841 1.008000 0.423800 -3.7638E+00 -6.2251E+00 -7.5411E+00 H2 4842 1.008000 0.423800 -2.2535E+00 -5.8650E+00 -7.0356E+00 O6 4843 15.999400 -0.847600 -1.7615E+01 9.6596E+00 -1.7298E+01 H1 4844 1.008000 0.423800 -1.8109E+01 8.7960E+00 -1.7196E+01 H2 4845 1.008000 0.423800 -1.8144E+01 1.0280E+01 -1.7878E+01 O6 4846 15.999400 -0.847600 -2.0712E+00 1.0716E+01 -1.4929E+01 H1 4847 1.008000 0.423800 -1.3774E+00 1.1233E+01 -1.4428E+01 H2 4848 1.008000 0.423800 -1.7434E+00 9.7850E+00 -1.5088E+01 O6 4849 15.999400 -0.847600 5.0308E+00 -1.7046E+01 -1.0284E-01 H1 4850 1.008000 0.423800 5.8383E+00 -1.7636E+01 -1.0234E-01 H2 4851 1.008000 0.423800 5.1809E+00 -1.6275E+01 5.1586E-01 O6 4852 15.999400 -0.847600 -5.6866E-01 -1.2563E+01 1.1322E+01 H1 4853 1.008000 0.423800 -4.1119E-02 -1.3409E+01 1.1397E+01 H2 4854 1.008000 0.423800 5.5460E-02 -1.1790E+01 1.1207E+01 O6 4855 15.999400 -0.847600 -1.1130E+01 -2.4606E-01 -1.1476E+01 H1 4856 1.008000 0.423800 -1.2106E+01 -3.1604E-01 -1.1684E+01 H2 4857 1.008000 0.423800 -1.0604E+01 -7.3476E-01 -1.2172E+01 O6 4858 15.999400 -0.847600 3.7366E+00 -1.8661E+01 -1.3141E+01 H1 4859 1.008000 0.423800 4.5126E+00 -1.8711E+01 -1.3770E+01 H2 4860 1.008000 0.423800 3.1578E+00 -1.7884E+01 -1.3387E+01 O6 4861 15.999400 -0.847600 -1.9068E+01 -1.1163E+01 1.3512E-01 H1 4862 1.008000 0.423800 -1.8839E+01 -1.0233E+01 -1.5020E-01 H2 4863 1.008000 0.423800 -1.8379E+01 -1.1798E+01 -2.1327E-01 O6 4864 15.999400 -0.847600 1.0757E+01 -2.7242E+00 -3.4788E+00 H1 4865 1.008000 0.423800 1.0724E+01 -2.4231E+00 -2.5257E+00 H2 4866 1.008000 0.423800 1.0246E+01 -2.0813E+00 -4.0494E+00 O6 4867 15.999400 -0.847600 2.0566E+00 -1.0861E+01 2.8756E+00 H1 4868 1.008000 0.423800 1.1519E+00 -1.1281E+01 2.8047E+00 H2 4869 1.008000 0.423800 2.5106E+00 -1.0895E+01 1.9853E+00 O6 4870 15.999400 -0.847600 -1.0283E+01 -1.0011E+01 1.4981E+01 H1 4871 1.008000 0.423800 -1.1281E+01 -9.9727E+00 1.4931E+01 H2 4872 1.008000 0.423800 -9.9886E+00 -1.0966E+01 1.5024E+01 O6 4873 15.999400 -0.847600 -1.5416E+01 1.9065E+01 1.0150E+01 H1 4874 1.008000 0.423800 -1.5549E+01 -1.9205E+01 1.0696E+01 H2 4875 1.008000 0.423800 -1.4979E+01 1.9305E+01 9.2834E+00 O6 4876 15.999400 -0.847600 -5.6807E+00 1.8786E+01 -1.6288E+01 H1 4877 1.008000 0.423800 -5.1725E+00 1.8556E+01 -1.7118E+01 H2 4878 1.008000 0.423800 -5.3585E+00 -1.9435E+01 -1.5932E+01 O6 4879 15.999400 -0.847600 -1.8697E+01 -3.7861E+00 -1.5102E+01 H1 4880 1.008000 0.423800 -1.8705E+01 -4.6575E+00 -1.4611E+01 H2 4881 1.008000 0.423800 -1.8851E+01 -3.0385E+00 -1.4455E+01 O6 4882 15.999400 -0.847600 7.1225E+00 6.0338E+00 -4.8394E+00 H1 4883 1.008000 0.423800 6.5799E+00 5.4557E+00 -4.2299E+00 H2 4884 1.008000 0.423800 7.5947E+00 5.4609E+00 -5.5093E+00 O6 4885 15.999400 -0.847600 -2.4563E+00 -1.2746E+01 1.6034E+01 H1 4886 1.008000 0.423800 -1.5198E+00 -1.2669E+01 1.5692E+01 H2 4887 1.008000 0.423800 -2.9932E+00 -1.1965E+01 1.5715E+01 O6 4888 15.999400 -0.847600 8.0491E+00 -6.6735E+00 -5.2420E+00 H1 4889 1.008000 0.423800 7.1021E+00 -6.9902E+00 -5.1872E+00 H2 4890 1.008000 0.423800 8.4810E+00 -6.7570E+00 -4.3440E+00 O6 4891 15.999400 -0.847600 -1.0880E+01 -2.1035E+00 -2.5409E+00 H1 4892 1.008000 0.423800 -1.1132E+01 -1.1374E+00 -2.5980E+00 H2 4893 1.008000 0.423800 -1.0271E+01 -2.3344E+00 -3.2997E+00 O6 4894 15.999400 -0.847600 1.3159E+01 1.8362E+00 -4.7080E+00 H1 4895 1.008000 0.423800 1.2248E+01 1.6608E+00 -5.0820E+00 H2 4896 1.008000 0.423800 1.3145E+01 1.6964E+00 -3.7179E+00 O6 4897 15.999400 -0.847600 -1.0136E+01 1.7031E+01 -4.0101E+00 H1 4898 1.008000 0.423800 -9.9346E+00 1.6385E+01 -4.7464E+00 H2 4899 1.008000 0.423800 -9.6063E+00 1.7867E+01 -4.1462E+00 O6 4900 15.999400 -0.847600 -1.9004E+01 1.3820E+01 -1.9232E+01 H1 4901 1.008000 0.423800 1.9142E+01 1.3817E+01 -1.9540E+01 H2 4902 1.008000 0.423800 -1.8572E+01 1.4682E+01 -1.9496E+01 O6 4903 15.999400 -0.847600 1.4630E+00 -1.6921E+01 -1.9004E+01 H1 4904 1.008000 0.423800 1.7345E+00 -1.7529E+01 1.9348E+01 H2 4905 1.008000 0.423800 5.1672E-01 -1.7113E+01 -1.8745E+01 O6 4906 15.999400 -0.847600 -2.6620E+00 -1.3429E+01 -8.1562E+00 H1 4907 1.008000 0.423800 -1.8671E+00 -1.3883E+01 -8.5584E+00 H2 4908 1.008000 0.423800 -2.4045E+00 -1.3019E+01 -7.2810E+00 O6 4909 15.999400 -0.847600 -5.6183E+00 -8.9071E+00 1.8461E+01 H1 4910 1.008000 0.423800 -6.3203E+00 -8.7990E+00 1.9165E+01 H2 4911 1.008000 0.423800 -5.6272E+00 -9.8482E+00 1.8123E+01 O6 4912 15.999400 -0.847600 1.6189E+01 -5.0043E+00 -5.7351E-01 H1 4913 1.008000 0.423800 1.6093E+01 -5.3081E+00 3.7442E-01 H2 4914 1.008000 0.423800 1.7036E+01 -4.4823E+00 -6.7212E-01 O6 4915 15.999400 -0.847600 1.6985E+00 2.2441E+00 -1.1908E+01 H1 4916 1.008000 0.423800 1.5776E+00 3.1911E+00 -1.2205E+01 H2 4917 1.008000 0.423800 2.4521E+00 1.8283E+00 -1.2417E+01 O6 4918 15.999400 -0.847600 -4.6101E-01 -1.0965E+01 -1.8870E+01 H1 4919 1.008000 0.423800 4.5891E-02 -1.1782E+01 -1.8596E+01 H2 4920 1.008000 0.423800 -1.0401E+00 -1.0662E+01 -1.8114E+01 O6 4921 15.999400 -0.847600 -1.8463E+01 -1.2408E+01 9.7757E+00 H1 4922 1.008000 0.423800 -1.7888E+01 -1.2768E+01 9.0407E+00 H2 4923 1.008000 0.423800 -1.8315E+01 -1.1423E+01 9.8627E+00 O6 4924 15.999400 -0.847600 1.6815E+01 -1.6959E+01 4.0383E+00 H1 4925 1.008000 0.423800 1.7733E+01 -1.6672E+01 3.7660E+00 H2 4926 1.008000 0.423800 1.6217E+01 -1.6159E+01 4.0885E+00 O6 4927 15.999400 -0.847600 -2.5028E+00 -4.2760E+00 1.7452E+01 H1 4928 1.008000 0.423800 -1.6900E+00 -4.3976E+00 1.6883E+01 H2 4929 1.008000 0.423800 -2.4704E+00 -4.9157E+00 1.8220E+01 O6 4930 15.999400 -0.847600 1.9364E+01 8.4017E+00 1.3920E+01 H1 4931 1.008000 0.423800 -1.9370E+01 9.0031E+00 1.4631E+01 H2 4932 1.008000 0.423800 1.9290E+01 7.4704E+00 1.4276E+01 O6 4933 15.999400 -0.847600 -1.0702E+01 -1.7307E+01 8.4992E+00 H1 4934 1.008000 0.423800 -1.0832E+01 -1.6378E+01 8.8456E+00 H2 4935 1.008000 0.423800 -1.1156E+01 -1.7398E+01 7.6125E+00 O6 4936 15.999400 -0.847600 -9.5868E+00 -1.2555E+01 1.5268E+01 H1 4937 1.008000 0.423800 -9.3738E+00 -1.2729E+01 1.4307E+01 H2 4938 1.008000 0.423800 -9.3663E+00 -1.3367E+01 1.5810E+01 O6 4939 15.999400 -0.847600 1.2173E+01 2.9647E+00 -1.2249E+01 H1 4940 1.008000 0.423800 1.1864E+01 2.5270E+00 -1.3093E+01 H2 4941 1.008000 0.423800 1.1561E+01 3.7226E+00 -1.2023E+01 O6 4942 15.999400 -0.847600 1.0250E+01 -4.3155E+00 1.5601E+01 H1 4943 1.008000 0.423800 1.1072E+01 -4.0361E+00 1.6099E+01 H2 4944 1.008000 0.423800 1.0134E+01 -3.7330E+00 1.4797E+01 O6 4945 15.999400 -0.847600 1.1115E+01 -1.1636E+01 1.4716E+01 H1 4946 1.008000 0.423800 1.0466E+01 -1.2138E+01 1.4144E+01 H2 4947 1.008000 0.423800 1.1189E+01 -1.0694E+01 1.4389E+01 O6 4948 15.999400 -0.847600 -2.5234E+00 2.5177E+00 3.8287E+00 H1 4949 1.008000 0.423800 -2.2806E+00 2.2466E+00 4.7602E+00 H2 4950 1.008000 0.423800 -3.4632E+00 2.2370E+00 3.6342E+00 O6 4951 15.999400 -0.847600 1.7487E+01 -1.1374E+01 -1.0225E+01 H1 4952 1.008000 0.423800 1.8227E+01 -1.1178E+01 -9.5816E+00 H2 4953 1.008000 0.423800 1.7650E+01 -1.0881E+01 -1.1080E+01 O6 4954 15.999400 -0.847600 -9.1534E+00 -7.6982E+00 -4.0595E+00 H1 4955 1.008000 0.423800 -9.3809E+00 -7.9166E+00 -5.0085E+00 H2 4956 1.008000 0.423800 -9.4605E+00 -6.7703E+00 -3.8482E+00 O6 4957 15.999400 -0.847600 1.0221E+01 1.7793E+01 -1.8574E+01 H1 4958 1.008000 0.423800 9.4066E+00 1.7335E+01 -1.8932E+01 H2 4959 1.008000 0.423800 1.1036E+01 1.7414E+01 -1.9012E+01 O6 4960 15.999400 -0.847600 1.1961E+01 5.1952E+00 8.0979E+00 H1 4961 1.008000 0.423800 1.1028E+01 5.3912E+00 8.4006E+00 H2 4962 1.008000 0.423800 1.2612E+01 5.6262E+00 8.7230E+00 O6 4963 15.999400 -0.847600 5.6346E+00 -1.4812E+01 1.8262E+00 H1 4964 1.008000 0.423800 5.7944E+00 -1.4304E+01 9.7947E-01 H2 4965 1.008000 0.423800 5.1246E+00 -1.4238E+01 2.4673E+00 O6 4966 15.999400 -0.847600 6.0019E+00 -1.0981E+01 -8.2920E+00 H1 4967 1.008000 0.423800 5.9674E+00 -1.1349E+01 -9.2212E+00 H2 4968 1.008000 0.423800 5.7379E+00 -1.0016E+01 -8.3056E+00 O6 4969 15.999400 -0.847600 1.0612E+01 -1.2552E+01 1.9131E+01 H1 4970 1.008000 0.423800 1.0837E+01 -1.2308E+01 -1.9023E+01 H2 4971 1.008000 0.423800 1.0482E+01 -1.1719E+01 1.8594E+01 O6 4972 15.999400 -0.847600 4.7631E+00 1.6668E+01 -2.6793E+00 H1 4973 1.008000 0.423800 4.8393E+00 1.7206E+01 -1.8396E+00 H2 4974 1.008000 0.423800 5.4807E+00 1.6945E+01 -3.3184E+00 O6 4975 15.999400 -0.847600 -3.3581E+00 -8.5602E+00 -1.0387E+01 H1 4976 1.008000 0.423800 -2.7243E+00 -7.7898E+00 -1.0319E+01 H2 4977 1.008000 0.423800 -2.9187E+00 -9.3856E+00 -1.0032E+01 O6 4978 15.999400 -0.847600 -5.0167E+00 -5.5852E+00 1.7054E+01 H1 4979 1.008000 0.423800 -4.6369E+00 -6.4083E+00 1.6631E+01 H2 4980 1.008000 0.423800 -4.3580E+00 -4.8368E+00 1.6977E+01 O6 4981 15.999400 -0.847600 -1.5554E+01 7.1238E+00 1.2355E+01 H1 4982 1.008000 0.423800 -1.5985E+01 7.0175E+00 1.1459E+01 H2 4983 1.008000 0.423800 -1.4822E+01 6.4493E+00 1.2455E+01 O6 4984 15.999400 -0.847600 1.5291E+01 -4.2661E+00 8.1213E+00 H1 4985 1.008000 0.423800 1.4642E+01 -3.5408E+00 8.3500E+00 H2 4986 1.008000 0.423800 1.5516E+01 -4.2175E+00 7.1481E+00 O6 4987 15.999400 -0.847600 -1.8495E+00 6.4583E+00 -1.0522E+01 H1 4988 1.008000 0.423800 -2.4468E+00 6.8180E+00 -9.8055E+00 H2 4989 1.008000 0.423800 -2.3520E+00 6.4185E+00 -1.1386E+01 O6 4990 15.999400 -0.847600 -4.9890E-02 -1.4798E+01 5.4678E+00 H1 4991 1.008000 0.423800 -7.3508E-01 -1.4971E+01 4.7603E+00 H2 4992 1.008000 0.423800 4.2364E-01 -1.3940E+01 5.2704E+00 O6 4993 15.999400 -0.847600 -5.0260E+00 -3.7016E+00 4.4383E+00 H1 4994 1.008000 0.423800 -5.9193E+00 -3.2526E+00 4.4559E+00 H2 4995 1.008000 0.423800 -4.8908E+00 -4.1400E+00 3.5497E+00 O6 4996 15.999400 -0.847600 -7.4254E+00 -1.1544E+01 4.0241E+00 H1 4997 1.008000 0.423800 -7.8393E+00 -1.0850E+01 4.6142E+00 H2 4998 1.008000 0.423800 -7.9694E+00 -1.2382E+01 4.0625E+00 O6 4999 15.999400 -0.847600 -5.8124E+00 1.6161E+01 -1.9254E+01 H1 5000 1.008000 0.423800 -6.3700E+00 1.6846E+01 1.9375E+01 H2 5001 1.008000 0.423800 -4.9482E+00 1.6574E+01 -1.8967E+01 O6 5002 15.999400 -0.847600 -2.9199E-01 1.9300E+01 1.5830E+01 H1 5003 1.008000 0.423800 -1.3184E-01 1.8605E+01 1.6531E+01 H2 5004 1.008000 0.423800 -3.8669E-01 -1.8902E+01 1.6265E+01 O6 5005 15.999400 -0.847600 -1.7214E+01 -1.2552E+01 -1.2306E+00 H1 5006 1.008000 0.423800 -1.6524E+01 -1.1867E+01 -9.9497E-01 H2 5007 1.008000 0.423800 -1.6779E+01 -1.3307E+01 -1.7216E+00 O6 5008 15.999400 -0.847600 7.5974E+00 -1.4542E+01 4.7358E+00 H1 5009 1.008000 0.423800 7.5912E+00 -1.4651E+01 5.7299E+00 H2 5010 1.008000 0.423800 7.5451E+00 -1.5442E+01 4.3020E+00 O6 5011 15.999400 -0.847600 1.7159E+01 1.1359E+01 -6.2081E+00 H1 5012 1.008000 0.423800 1.6574E+01 1.2037E+01 -5.7621E+00 H2 5013 1.008000 0.423800 1.7172E+01 1.1528E+01 -7.1937E+00 O6 5014 15.999400 -0.847600 -1.6162E+01 5.5610E+00 -1.6571E+01 H1 5015 1.008000 0.423800 -1.5369E+01 5.1067E+00 -1.6977E+01 H2 5016 1.008000 0.423800 -1.6041E+01 6.5523E+00 -1.6623E+01 O6 5017 15.999400 -0.847600 6.5205E+00 -3.4240E-01 -3.8359E+00 H1 5018 1.008000 0.423800 6.1262E+00 2.1226E-01 -4.5686E+00 H2 5019 1.008000 0.423800 7.2686E+00 1.6049E-01 -3.4029E+00 O6 5020 15.999400 -0.847600 -1.0246E+01 2.6710E+00 3.5686E+00 H1 5021 1.008000 0.423800 -9.6131E+00 2.0139E+00 3.1586E+00 H2 5022 1.008000 0.423800 -1.0793E+01 3.0999E+00 2.8499E+00 O6 5023 15.999400 -0.847600 6.9007E+00 -6.6730E+00 1.7249E+01 H1 5024 1.008000 0.423800 7.0819E+00 -7.6196E+00 1.7515E+01 H2 5025 1.008000 0.423800 6.0983E+00 -6.3359E+00 1.7741E+01 O6 5026 15.999400 -0.847600 1.6398E+00 -1.6539E+01 -1.0480E+01 H1 5027 1.008000 0.423800 1.8352E+00 -1.6096E+01 -9.6050E+00 H2 5028 1.008000 0.423800 2.3443E+00 -1.6289E+01 -1.1145E+01 O6 5029 15.999400 -0.847600 -1.3015E+01 -7.3102E-01 3.5359E+00 H1 5030 1.008000 0.423800 -1.2434E+01 -7.2451E-01 4.3502E+00 H2 5031 1.008000 0.423800 -1.2583E+01 -1.8974E-01 2.8145E+00 O6 5032 15.999400 -0.847600 1.5228E+01 1.3597E+01 -1.8744E+01 H1 5033 1.008000 0.423800 1.4978E+01 1.4542E+01 -1.8530E+01 H2 5034 1.008000 0.423800 1.5087E+01 1.3428E+01 1.9378E+01 O6 5035 15.999400 -0.847600 7.9119E-01 -1.5777E+01 2.9304E+00 H1 5036 1.008000 0.423800 -1.6123E-01 -1.5472E+01 2.9427E+00 H2 5037 1.008000 0.423800 1.3773E+00 -1.5053E+01 3.2947E+00 O6 5038 15.999400 -0.847600 1.6232E+01 -1.4398E+01 4.7375E+00 H1 5039 1.008000 0.423800 1.6701E+01 -1.3687E+01 4.2141E+00 H2 5040 1.008000 0.423800 1.6706E+01 -1.4540E+01 5.6061E+00 O6 5041 15.999400 -0.847600 -6.9085E+00 1.2483E+01 -4.0830E+00 H1 5042 1.008000 0.423800 -7.6509E+00 1.1826E+01 -4.2178E+00 H2 5043 1.008000 0.423800 -6.9290E+00 1.2820E+01 -3.1420E+00 O6 5044 15.999400 -0.847600 6.7752E+00 -1.9276E+01 1.5302E+01 H1 5045 1.008000 0.423800 7.7074E+00 -1.9499E+01 1.5017E+01 H2 5046 1.008000 0.423800 6.1661E+00 -1.9315E+01 1.4510E+01 O6 5047 15.999400 -0.847600 1.0088E+01 -9.0779E+00 -1.2411E+01 H1 5048 1.008000 0.423800 9.1814E+00 -9.1312E+00 -1.1992E+01 H2 5049 1.008000 0.423800 9.9967E+00 -9.0946E+00 -1.3407E+01 O6 5050 15.999400 -0.847600 1.4537E+00 -1.4293E+00 1.9101E+01 H1 5051 1.008000 0.423800 2.4272E+00 -1.4823E+00 1.8878E+01 H2 5052 1.008000 0.423800 1.1056E+00 -2.3466E+00 1.9294E+01 O6 5053 15.999400 -0.847600 -1.2240E+01 -6.4328E+00 3.1743E+00 H1 5054 1.008000 0.423800 -1.3106E+01 -6.0458E+00 2.8567E+00 H2 5055 1.008000 0.423800 -1.1480E+01 -5.8969E+00 2.8061E+00 O6 5056 15.999400 -0.847600 -1.4157E+01 1.2985E+01 -8.3557E+00 H1 5057 1.008000 0.423800 -1.3877E+01 1.3904E+01 -8.0788E+00 H2 5058 1.008000 0.423800 -1.4931E+01 1.3048E+01 -8.9859E+00 O6 5059 15.999400 -0.847600 6.4926E+00 1.7626E+01 -4.5405E+00 H1 5060 1.008000 0.423800 7.3203E+00 1.8073E+01 -4.8797E+00 H2 5061 1.008000 0.423800 5.7460E+00 1.7770E+01 -5.1899E+00 O6 5062 15.999400 -0.847600 9.4788E+00 -2.6685E+00 1.3532E+01 H1 5063 1.008000 0.423800 8.7671E+00 -2.5897E+00 1.2834E+01 H2 5064 1.008000 0.423800 9.9337E+00 -1.7852E+00 1.3645E+01 O6 5065 15.999400 -0.847600 8.2353E+00 1.2049E+01 7.1920E+00 H1 5066 1.008000 0.423800 8.8325E+00 1.2108E+01 7.9919E+00 H2 5067 1.008000 0.423800 7.2917E+00 1.2235E+01 7.4662E+00 O6 5068 15.999400 -0.847600 -6.5408E+00 -1.9347E+01 9.7899E+00 H1 5069 1.008000 0.423800 -7.4924E+00 -1.9499E+01 9.5224E+00 H2 5070 1.008000 0.423800 -5.9352E+00 1.9437E+01 9.0583E+00 O6 5071 15.999400 -0.847600 1.3839E+01 9.8539E+00 3.0421E+00 H1 5072 1.008000 0.423800 1.4804E+01 9.6069E+00 3.1329E+00 H2 5073 1.008000 0.423800 1.3372E+01 9.6964E+00 3.9119E+00 O6 5074 15.999400 -0.847600 1.6342E+01 -1.7645E+01 1.4676E+01 H1 5075 1.008000 0.423800 1.7290E+01 -1.7583E+01 1.4366E+01 H2 5076 1.008000 0.423800 1.5730E+01 -1.7384E+01 1.3930E+01 O6 5077 15.999400 -0.847600 9.2707E+00 -1.4831E+01 1.8634E+01 H1 5078 1.008000 0.423800 9.8366E+00 -1.4080E+01 1.8975E+01 H2 5079 1.008000 0.423800 8.7282E+00 -1.4514E+01 1.7856E+01 O6 5080 15.999400 -0.847600 -5.2280E+00 -7.1846E+00 5.1863E+00 H1 5081 1.008000 0.423800 -5.2999E+00 -7.7079E+00 4.3372E+00 H2 5082 1.008000 0.423800 -5.7712E+00 -6.3485E+00 5.1095E+00 O6 5083 15.999400 -0.847600 1.5679E+01 3.5583E+00 -1.7594E+01 H1 5084 1.008000 0.423800 1.5796E+01 4.0852E+00 -1.6753E+01 H2 5085 1.008000 0.423800 1.5600E+01 4.1837E+00 -1.8371E+01 O6 5086 15.999400 -0.847600 -1.1266E+01 -1.2232E+01 1.7794E+01 H1 5087 1.008000 0.423800 -1.0786E+01 -1.2800E+01 1.8462E+01 H2 5088 1.008000 0.423800 -1.0830E+01 -1.2330E+01 1.6899E+01 O6 5089 15.999400 -0.847600 -3.3102E+00 -3.8436E+00 -1.7389E+01 H1 5090 1.008000 0.423800 -3.6656E+00 -4.2643E+00 -1.6554E+01 H2 5091 1.008000 0.423800 -2.7607E+00 -4.5115E+00 -1.7891E+01 O6 5092 15.999400 -0.847600 -1.4052E+01 -1.4769E+01 9.6893E+00 H1 5093 1.008000 0.423800 -1.3854E+01 -1.3831E+01 9.9727E+00 H2 5094 1.008000 0.423800 -1.3849E+01 -1.5395E+01 1.0442E+01 O6 5095 15.999400 -0.847600 -3.4591E+00 -1.2030E+01 -1.2433E+01 H1 5096 1.008000 0.423800 -4.1954E+00 -1.1684E+01 -1.3014E+01 H2 5097 1.008000 0.423800 -2.6336E+00 -1.2159E+01 -1.2982E+01 O6 5098 15.999400 -0.847600 5.0596E+00 1.6193E+01 -1.2157E+01 H1 5099 1.008000 0.423800 4.2416E+00 1.5847E+01 -1.2617E+01 H2 5100 1.008000 0.423800 4.8144E+00 1.6975E+01 -1.1584E+01 O6 5101 15.999400 -0.847600 8.4016E+00 -2.7390E+00 -6.3289E+00 H1 5102 1.008000 0.423800 8.2130E+00 -2.2337E+00 -7.1709E+00 H2 5103 1.008000 0.423800 8.7481E+00 -2.1099E+00 -5.6331E+00 O6 5104 15.999400 -0.847600 6.1896E+00 7.9593E+00 -1.2909E+01 H1 5105 1.008000 0.423800 5.8167E+00 8.8845E+00 -1.2979E+01 H2 5106 1.008000 0.423800 7.0915E+00 7.9955E+00 -1.2478E+01 O6 5107 15.999400 -0.847600 1.6339E+00 5.2960E+00 -1.6460E+01 H1 5108 1.008000 0.423800 2.0522E+00 4.4361E+00 -1.6168E+01 H2 5109 1.008000 0.423800 6.4939E-01 5.1649E+00 -1.6577E+01 O6 5110 15.999400 -0.847600 -1.2070E+01 1.3074E+01 -5.3800E+00 H1 5111 1.008000 0.423800 -1.2063E+01 1.3918E+01 -5.9170E+00 H2 5112 1.008000 0.423800 -1.1681E+01 1.3252E+01 -4.4757E+00 O6 5113 15.999400 -0.847600 1.1949E+01 1.8456E+01 -5.2231E+00 H1 5114 1.008000 0.423800 1.2516E+01 1.8521E+01 -6.0445E+00 H2 5115 1.008000 0.423800 1.2464E+01 1.8794E+01 -4.4353E+00 O6 5116 15.999400 -0.847600 1.6240E+01 1.5936E+01 5.6795E+00 H1 5117 1.008000 0.423800 1.6972E+01 1.5484E+01 6.1884E+00 H2 5118 1.008000 0.423800 1.5393E+01 1.5900E+01 6.2108E+00 O6 5119 15.999400 -0.847600 -8.1502E-01 -9.3662E+00 -1.5741E+01 H1 5120 1.008000 0.423800 -1.5773E+00 -9.3570E+00 -1.6388E+01 H2 5121 1.008000 0.423800 -1.1652E+00 -9.2471E+00 -1.4812E+01 O6 5122 15.999400 -0.847600 -2.7255E+00 1.1708E+01 -2.5013E+00 H1 5123 1.008000 0.423800 -2.2401E+00 1.0890E+01 -2.8107E+00 H2 5124 1.008000 0.423800 -2.5491E+00 1.1851E+01 -1.5276E+00 O6 5125 15.999400 -0.847600 -1.4110E-01 -2.7172E+00 7.4561E+00 H1 5126 1.008000 0.423800 -1.4357E-01 -1.9494E+00 6.8154E+00 H2 5127 1.008000 0.423800 -9.8357E-01 -2.7046E+00 7.9947E+00 O6 5128 15.999400 -0.847600 -7.5237E+00 1.0363E+01 -8.7593E+00 H1 5129 1.008000 0.423800 -8.3880E+00 1.0613E+01 -9.1954E+00 H2 5130 1.008000 0.423800 -6.9676E+00 1.1183E+01 -8.6258E+00 O6 5131 15.999400 -0.847600 -4.0052E+00 7.2378E+00 1.5129E+01 H1 5132 1.008000 0.423800 -4.9706E+00 7.4707E+00 1.5247E+01 H2 5133 1.008000 0.423800 -3.9013E+00 6.6377E+00 1.4336E+01 O6 5134 15.999400 -0.847600 -1.6817E+01 -1.2850E+01 7.3888E+00 H1 5135 1.008000 0.423800 -1.6998E+01 -1.2204E+01 6.6475E+00 H2 5136 1.008000 0.423800 -1.6046E+01 -1.3436E+01 7.1385E+00 O6 5137 15.999400 -0.847600 1.2182E+01 9.7469E+00 -9.6106E+00 H1 5138 1.008000 0.423800 1.2419E+01 1.0456E+01 -8.9465E+00 H2 5139 1.008000 0.423800 1.3010E+01 9.2586E+00 -9.8863E+00 O6 5140 15.999400 -0.847600 9.8439E-01 1.7216E+01 1.7544E+01 H1 5141 1.008000 0.423800 1.0827E+00 1.6477E+01 1.6878E+01 H2 5142 1.008000 0.423800 1.8492E+00 1.7344E+01 1.8030E+01 O6 5143 15.999400 -0.847600 7.1789E+00 -7.7292E+00 8.0122E+00 H1 5144 1.008000 0.423800 6.2800E+00 -7.5910E+00 8.4279E+00 H2 5145 1.008000 0.423800 7.1189E+00 -8.4486E+00 7.3201E+00 O6 5146 15.999400 -0.847600 1.5299E+01 1.6537E+01 -1.8388E+01 H1 5147 1.008000 0.423800 1.5323E+01 1.7101E+01 -1.7562E+01 H2 5148 1.008000 0.423800 1.4570E+01 1.6861E+01 -1.8991E+01 O6 5149 15.999400 -0.847600 3.8663E+00 1.0601E+00 -1.3200E+01 H1 5150 1.008000 0.423800 3.4396E+00 2.0794E-01 -1.3503E+01 H2 5151 1.008000 0.423800 4.8558E+00 9.3218E-01 -1.3134E+01 O6 5152 15.999400 -0.847600 -1.7333E+01 4.2658E+00 6.9032E+00 H1 5153 1.008000 0.423800 -1.7957E+01 5.0383E+00 7.0199E+00 H2 5154 1.008000 0.423800 -1.7543E+01 3.7936E+00 6.0471E+00 O6 5155 15.999400 -0.847600 -1.1499E+01 -1.7866E+01 -1.4431E+01 H1 5156 1.008000 0.423800 -1.0670E+01 -1.8315E+01 -1.4097E+01 H2 5157 1.008000 0.423800 -1.1955E+01 -1.7401E+01 -1.3673E+01 O6 5158 15.999400 -0.847600 1.6047E+01 1.7727E+00 -1.3377E+01 H1 5159 1.008000 0.423800 1.6839E+01 2.2918E+00 -1.3698E+01 H2 5160 1.008000 0.423800 1.5539E+01 2.3182E+00 -1.2711E+01 O6 5161 15.999400 -0.847600 -4.8316E+00 5.4486E+00 1.0734E+01 H1 5162 1.008000 0.423800 -4.2795E+00 4.7831E+00 1.0231E+01 H2 5163 1.008000 0.423800 -4.8342E+00 6.3189E+00 1.0241E+01 O6 5164 15.999400 -0.847600 1.0791E+00 3.1535E+00 1.6063E+01 H1 5165 1.008000 0.423800 1.0189E+00 3.0012E+00 1.7050E+01 H2 5166 1.008000 0.423800 8.1682E-01 2.3179E+00 1.5581E+01 O6 5167 15.999400 -0.847600 1.2637E+01 5.4427E+00 2.8389E+00 H1 5168 1.008000 0.423800 1.3522E+01 5.8963E+00 2.7372E+00 H2 5169 1.008000 0.423800 1.2081E+01 5.9416E+00 3.5041E+00 O6 5170 15.999400 -0.847600 1.5507E+01 -1.0567E+01 -8.2033E+00 H1 5171 1.008000 0.423800 1.6138E+01 -1.0405E+01 -7.4451E+00 H2 5172 1.008000 0.423800 1.6023E+01 -1.0832E+01 -9.0171E+00 O6 5173 15.999400 -0.847600 -1.3850E+01 1.5192E+01 -1.1805E+01 H1 5174 1.008000 0.423800 -1.3010E+01 1.5105E+01 -1.1271E+01 H2 5175 1.008000 0.423800 -1.4285E+01 1.6069E+01 -1.1602E+01 O6 5176 15.999400 -0.847600 -3.9408E+00 1.7904E+01 -1.8297E+01 H1 5177 1.008000 0.423800 -3.7958E+00 1.8565E+01 -1.9034E+01 H2 5178 1.008000 0.423800 -3.0675E+00 1.7703E+01 -1.7854E+01 O6 5179 15.999400 -0.847600 7.3395E+00 9.0730E+00 -1.4118E+00 H1 5180 1.008000 0.423800 7.1083E+00 8.9056E+00 -4.5343E-01 H2 5181 1.008000 0.423800 8.0180E+00 8.4029E+00 -1.7129E+00 O6 5182 15.999400 -0.847600 1.1372E+01 -2.9140E+00 6.6575E+00 H1 5183 1.008000 0.423800 1.0905E+01 -3.4867E+00 5.9840E+00 H2 5184 1.008000 0.423800 1.1018E+01 -1.9802E+00 6.6036E+00 O6 5185 15.999400 -0.847600 -1.5770E+01 1.5899E+01 1.7179E+01 H1 5186 1.008000 0.423800 -1.6296E+01 1.5297E+01 1.6579E+01 H2 5187 1.008000 0.423800 -1.5213E+01 1.6518E+01 1.6625E+01 O6 5188 15.999400 -0.847600 1.5788E+01 5.1930E+00 5.9024E+00 H1 5189 1.008000 0.423800 1.5446E+01 6.1306E+00 5.8438E+00 H2 5190 1.008000 0.423800 1.6732E+01 5.1621E+00 5.5733E+00 O6 5191 15.999400 -0.847600 6.4897E+00 -1.1969E+01 5.2076E+00 H1 5192 1.008000 0.423800 6.8004E+00 -1.1774E+01 6.1381E+00 H2 5193 1.008000 0.423800 6.8337E+00 -1.2863E+01 4.9214E+00 O6 5194 15.999400 -0.847600 1.8884E+01 -1.5577E-01 1.2855E+01 H1 5195 1.008000 0.423800 1.8779E+01 -1.1292E+00 1.2651E+01 H2 5196 1.008000 0.423800 1.8267E+01 3.7487E-01 1.2274E+01 O6 5197 15.999400 -0.847600 -1.0473E+01 2.5059E+00 -1.1186E+01 H1 5198 1.008000 0.423800 -1.0727E+01 1.5507E+00 -1.1034E+01 H2 5199 1.008000 0.423800 -1.1255E+01 3.0032E+00 -1.1561E+01 O6 5200 15.999400 -0.847600 1.3765E+01 -1.5154E+01 2.1091E+00 H1 5201 1.008000 0.423800 1.3707E+01 -1.4456E+01 2.8222E+00 H2 5202 1.008000 0.423800 1.3287E+01 -1.5979E+01 2.4104E+00 O6 5203 15.999400 -0.847600 8.3571E+00 -1.6227E+01 -1.8451E+01 H1 5204 1.008000 0.423800 7.5054E+00 -1.6719E+01 -1.8634E+01 H2 5205 1.008000 0.423800 8.6358E+00 -1.5728E+01 -1.9272E+01 O6 5206 15.999400 -0.847600 -9.3550E-01 -1.2028E+01 6.5649E+00 H1 5207 1.008000 0.423800 -1.6121E+00 -1.1854E+01 5.8493E+00 H2 5208 1.008000 0.423800 -1.4019E+00 -1.2312E+01 7.4027E+00 O6 5209 15.999400 -0.847600 -1.9142E+01 -5.4031E+00 5.1383E+00 H1 5210 1.008000 0.423800 -1.9153E+01 -4.8188E+00 5.9498E+00 H2 5211 1.008000 0.423800 1.9023E+01 -5.5128E+00 4.7946E+00 O6 5212 15.999400 -0.847600 -8.7710E+00 7.3872E+00 1.1871E+01 H1 5213 1.008000 0.423800 -9.5310E+00 6.8284E+00 1.2203E+01 H2 5214 1.008000 0.423800 -9.0488E+00 8.3475E+00 1.1848E+01 O6 5215 15.999400 -0.847600 1.1971E+01 -8.0882E+00 3.8655E+00 H1 5216 1.008000 0.423800 1.1801E+01 -7.3131E+00 3.2572E+00 H2 5217 1.008000 0.423800 1.1751E+01 -7.8287E+00 4.8058E+00 O6 5218 15.999400 -0.847600 -1.8656E+00 -4.1584E+00 -1.2282E+01 H1 5219 1.008000 0.423800 -2.5369E+00 -4.2877E+00 -1.1552E+01 H2 5220 1.008000 0.423800 -2.0565E+00 -4.7971E+00 -1.3027E+01 O6 5221 15.999400 -0.847600 1.1005E+00 1.8131E+01 -1.2968E+00 H1 5222 1.008000 0.423800 1.5322E+00 1.7696E+01 -2.0874E+00 H2 5223 1.008000 0.423800 1.7978E+00 1.8347E+01 -6.1350E-01 O6 5224 15.999400 -0.847600 -1.4256E+01 -3.9766E+00 3.2748E+00 H1 5225 1.008000 0.423800 -1.4804E+01 -4.0913E+00 4.1031E+00 H2 5226 1.008000 0.423800 -1.4860E+01 -3.8031E+00 2.4967E+00 O6 5227 15.999400 -0.847600 -7.1002E+00 1.4494E+01 -1.1175E+01 H1 5228 1.008000 0.423800 -6.2000E+00 1.4281E+01 -1.1555E+01 H2 5229 1.008000 0.423800 -7.2229E+00 1.5486E+01 -1.1147E+01 O6 5230 15.999400 -0.847600 -7.6660E+00 1.7540E+01 -9.0901E+00 H1 5231 1.008000 0.423800 -7.1277E+00 1.7566E+01 -9.9324E+00 H2 5232 1.008000 0.423800 -7.0934E+00 1.7212E+01 -8.3385E+00 O6 5233 15.999400 -0.847600 -1.7458E+01 6.1103E+00 1.7158E+01 H1 5234 1.008000 0.423800 -1.7165E+01 6.2507E+00 1.6212E+01 H2 5235 1.008000 0.423800 -1.7837E+01 5.1903E+00 1.7257E+01 O6 5236 15.999400 -0.847600 5.9749E+00 -1.8462E+01 -4.9884E+00 H1 5237 1.008000 0.423800 5.8373E+00 -1.8199E+01 -4.0335E+00 H2 5238 1.008000 0.423800 5.1765E+00 -1.8969E+01 -5.3126E+00 O6 5239 15.999400 -0.847600 1.3541E+01 -2.1396E+00 8.2569E+00 H1 5240 1.008000 0.423800 1.2686E+01 -2.3837E+00 7.7977E+00 H2 5241 1.008000 0.423800 1.4102E+01 -1.5850E+00 7.6429E+00 O6 5242 15.999400 -0.847600 4.1191E+00 -1.5829E+00 -1.7907E+01 H1 5243 1.008000 0.423800 4.7043E+00 -2.1422E+00 -1.7319E+01 H2 5244 1.008000 0.423800 3.1863E+00 -1.5846E+00 -1.7546E+01 O6 5245 15.999400 -0.847600 -1.8330E+01 -1.7193E+01 -5.2127E+00 H1 5246 1.008000 0.423800 -1.7461E+01 -1.7460E+01 -4.7951E+00 H2 5247 1.008000 0.423800 -1.8727E+01 -1.6433E+01 -4.6991E+00 O6 5248 15.999400 -0.847600 -1.8583E+01 -1.3868E+01 4.9869E+00 H1 5249 1.008000 0.423800 -1.8945E+01 -1.2935E+01 4.9946E+00 H2 5250 1.008000 0.423800 -1.8569E+01 -1.4227E+01 5.9199E+00 O6 5251 15.999400 -0.847600 -1.7645E+01 -5.0786E+00 -6.5075E+00 H1 5252 1.008000 0.423800 -1.7887E+01 -4.6130E+00 -5.6563E+00 H2 5253 1.008000 0.423800 -1.6820E+01 -4.6636E+00 -6.8913E+00 O6 5254 15.999400 -0.847600 5.6433E-01 4.9422E+00 1.9447E+01 H1 5255 1.008000 0.423800 -1.0811E-01 4.9897E+00 -1.8912E+01 H2 5256 1.008000 0.423800 3.2884E-01 5.6075E+00 1.8738E+01 O6 5257 15.999400 -0.847600 1.9253E+01 -1.8834E+01 -1.8736E+01 H1 5258 1.008000 0.423800 -1.9359E+01 1.9468E+01 -1.8373E+01 H2 5259 1.008000 0.423800 1.8732E+01 -1.8398E+01 -1.8003E+01 O6 5260 15.999400 -0.847600 1.3505E+01 3.9700E+00 6.4284E+00 H1 5261 1.008000 0.423800 1.2881E+01 4.4456E+00 7.0484E+00 H2 5262 1.008000 0.423800 1.4292E+01 4.5556E+00 6.2339E+00 O6 5263 15.999400 -0.847600 8.8159E+00 1.0508E+01 -7.4197E+00 H1 5264 1.008000 0.423800 9.3697E+00 1.1331E+01 -7.5411E+00 H2 5265 1.008000 0.423800 8.8035E+00 9.9857E+00 -8.2726E+00 O6 5266 15.999400 -0.847600 3.0319E+00 -5.4597E+00 -5.0343E+00 H1 5267 1.008000 0.423800 2.3513E+00 -4.8882E+00 -5.4929E+00 H2 5268 1.008000 0.423800 3.9487E+00 -5.1223E+00 -5.2479E+00 O6 5269 15.999400 -0.847600 5.6127E-01 -1.0214E+01 7.9744E+00 H1 5270 1.008000 0.423800 6.3468E-01 -9.3549E+00 7.4681E+00 H2 5271 1.008000 0.423800 -4.5307E-02 -1.0839E+01 7.4834E+00 O6 5272 15.999400 -0.847600 8.9797E+00 5.5072E-01 1.6951E+01 H1 5273 1.008000 0.423800 8.4732E+00 8.2749E-02 1.7675E+01 H2 5274 1.008000 0.423800 9.9555E+00 3.5351E-01 1.7046E+01 O6 5275 15.999400 -0.847600 -1.4820E+01 -9.3901E+00 -1.4017E+01 H1 5276 1.008000 0.423800 -1.5612E+01 -9.6992E+00 -1.4545E+01 H2 5277 1.008000 0.423800 -1.4951E+01 -8.4363E+00 -1.3747E+01 O6 5278 15.999400 -0.847600 1.3660E+01 -5.1921E+00 2.5075E+00 H1 5279 1.008000 0.423800 1.3106E+01 -4.6737E+00 3.1593E+00 H2 5280 1.008000 0.423800 1.4602E+01 -4.8580E+00 2.5310E+00 O6 5281 15.999400 -0.847600 -1.9009E+01 -1.6349E+01 -1.5227E+01 H1 5282 1.008000 0.423800 -1.8784E+01 -1.5431E+01 -1.4902E+01 H2 5283 1.008000 0.423800 -1.8725E+01 -1.6444E+01 -1.6181E+01 O6 5284 15.999400 -0.847600 -1.8899E+01 -5.8058E+00 8.9043E+00 H1 5285 1.008000 0.423800 1.9306E+01 -6.1554E+00 8.6198E+00 H2 5286 1.008000 0.423800 -1.8213E+01 -6.5266E+00 8.8080E+00 O6 5287 15.999400 -0.847600 8.2746E+00 -1.1971E+01 -1.5534E+01 H1 5288 1.008000 0.423800 7.9241E+00 -1.2554E+01 -1.6267E+01 H2 5289 1.008000 0.423800 7.7951E+00 -1.2183E+01 -1.4682E+01 O6 5290 15.999400 -0.847600 1.1659E+01 -1.1494E+01 -1.3735E+01 H1 5291 1.008000 0.423800 1.1065E+01 -1.0749E+01 -1.4041E+01 H2 5292 1.008000 0.423800 1.2383E+01 -1.1640E+01 -1.4408E+01 O6 5293 15.999400 -0.847600 1.4688E+01 -1.5970E+01 -1.5310E+01 H1 5294 1.008000 0.423800 1.4012E+01 -1.5938E+01 -1.4574E+01 H2 5295 1.008000 0.423800 1.5591E+01 -1.6163E+01 -1.4926E+01 O6 5296 15.999400 -0.847600 7.5090E+00 9.1770E-02 -9.1355E+00 H1 5297 1.008000 0.423800 7.6670E+00 -8.6289E-01 -9.3878E+00 H2 5298 1.008000 0.423800 6.7041E+00 1.5153E-01 -8.5450E+00 O6 5299 15.999400 -0.847600 -4.6279E+00 4.0660E+00 -8.7661E+00 H1 5300 1.008000 0.423800 -3.9529E+00 4.0323E+00 -9.5031E+00 H2 5301 1.008000 0.423800 -4.7022E+00 3.1640E+00 -8.3407E+00 O6 5302 15.999400 -0.847600 5.3365E+00 7.8818E+00 2.9940E+00 H1 5303 1.008000 0.423800 5.5643E+00 8.6332E+00 2.3745E+00 H2 5304 1.008000 0.423800 5.5837E+00 7.0118E+00 2.5676E+00 O6 5305 15.999400 -0.847600 -1.1563E+01 -1.8873E+01 -4.9905E+00 H1 5306 1.008000 0.423800 -1.2163E+01 -1.8119E+01 -5.2562E+00 H2 5307 1.008000 0.423800 -1.0708E+01 -1.8505E+01 -4.6241E+00 O6 5308 15.999400 -0.847600 2.6273E+00 -1.7124E+01 1.5169E+01 H1 5309 1.008000 0.423800 1.7996E+00 -1.6563E+01 1.5178E+01 H2 5310 1.008000 0.423800 2.7863E+00 -1.7499E+01 1.6083E+01 O6 5311 15.999400 -0.847600 -1.0143E+01 -1.3953E+01 -1.9518E+01 H1 5312 1.008000 0.423800 -9.5572E+00 -1.3362E+01 -1.8963E+01 H2 5313 1.008000 0.423800 -1.0778E+01 -1.4446E+01 -1.8924E+01 O6 5314 15.999400 -0.847600 4.3717E+00 -4.0747E+00 -1.4316E+01 H1 5315 1.008000 0.423800 4.0640E+00 -4.1098E+00 -1.3365E+01 H2 5316 1.008000 0.423800 3.7514E+00 -4.6125E+00 -1.4887E+01 O6 5317 15.999400 -0.847600 -1.1830E+01 8.1689E+00 -1.2964E+01 H1 5318 1.008000 0.423800 -1.1511E+01 7.8353E+00 -1.2077E+01 H2 5319 1.008000 0.423800 -1.2717E+01 8.6171E+00 -1.2853E+01 O6 5320 15.999400 -0.847600 -1.2799E+01 1.3768E+01 -1.8069E+01 H1 5321 1.008000 0.423800 -1.3389E+01 1.3300E+01 -1.8726E+01 H2 5322 1.008000 0.423800 -1.3312E+01 1.3950E+01 -1.7231E+01 O6 5323 15.999400 -0.847600 -2.7021E+00 7.0349E+00 -1.3626E+00 H1 5324 1.008000 0.423800 -2.3055E+00 7.0944E+00 -4.4654E-01 H2 5325 1.008000 0.423800 -3.6975E+00 6.9704E+00 -1.2913E+00 O6 5326 15.999400 -0.847600 -1.4156E+01 -2.8745E+00 -9.6925E+00 H1 5327 1.008000 0.423800 -1.4537E+01 -3.2424E+00 -8.8443E+00 H2 5328 1.008000 0.423800 -1.3608E+01 -2.0634E+00 -9.4875E+00 O6 5329 15.999400 -0.847600 7.5992E+00 -9.4854E+00 4.5148E+00 H1 5330 1.008000 0.423800 7.1120E+00 -1.0234E+01 4.9644E+00 H2 5331 1.008000 0.423800 7.4934E+00 -9.5666E+00 3.5237E+00 O6 5332 15.999400 -0.847600 8.1321E-01 8.2062E+00 9.5165E+00 H1 5333 1.008000 0.423800 4.1913E-02 8.6459E+00 9.0563E+00 H2 5334 1.008000 0.423800 1.4310E+00 8.9064E+00 9.8742E+00 O6 5335 15.999400 -0.847600 -1.9416E+01 -1.4809E+00 9.2687E+00 H1 5336 1.008000 0.423800 -1.8744E+01 -1.4112E+00 1.0006E+01 H2 5337 1.008000 0.423800 1.8763E+01 -1.5432E+00 9.6599E+00 O6 5338 15.999400 -0.847600 -1.3068E+01 -3.6263E+00 -2.0084E+00 H1 5339 1.008000 0.423800 -1.2819E+01 -4.5847E+00 -1.8683E+00 H2 5340 1.008000 0.423800 -1.2279E+01 -3.0448E+00 -1.8096E+00 O6 5341 15.999400 -0.847600 -1.4474E+01 -1.4333E+01 -7.0925E+00 H1 5342 1.008000 0.423800 -1.5102E+01 -1.4166E+01 -7.8528E+00 H2 5343 1.008000 0.423800 -1.4816E+01 -1.5092E+01 -6.5389E+00 O6 5344 15.999400 -0.847600 -1.5382E+01 -6.7056E+00 -1.3252E+01 H1 5345 1.008000 0.423800 -1.5193E+01 -6.8847E+00 -1.2287E+01 H2 5346 1.008000 0.423800 -1.5101E+01 -5.7732E+00 -1.3480E+01 O6 5347 15.999400 -0.847600 1.6621E+01 9.5370E+00 -1.5299E+01 H1 5348 1.008000 0.423800 1.7105E+01 9.5317E+00 -1.4424E+01 H2 5349 1.008000 0.423800 1.6549E+01 1.0476E+01 -1.5635E+01 O6 5350 15.999400 -0.847600 -1.1863E+01 -1.4809E+01 -1.7654E+01 H1 5351 1.008000 0.423800 -1.1419E+01 -1.5676E+01 -1.7425E+01 H2 5352 1.008000 0.423800 -1.2831E+01 -1.4854E+01 -1.7406E+01 O6 5353 15.999400 -0.847600 1.0665E+01 -1.5971E+01 6.7279E+00 H1 5354 1.008000 0.423800 9.9116E+00 -1.6315E+01 6.1672E+00 H2 5355 1.008000 0.423800 1.1104E+01 -1.5204E+01 6.2614E+00 O6 5356 15.999400 -0.847600 8.7658E+00 1.6723E+01 4.5898E+00 H1 5357 1.008000 0.423800 7.9866E+00 1.6114E+01 4.4410E+00 H2 5358 1.008000 0.423800 9.4784E+00 1.6235E+01 5.0940E+00 O6 5359 15.999400 -0.847600 8.3319E+00 1.3487E+01 -1.9348E+01 H1 5360 1.008000 0.423800 8.5998E+00 1.3740E+01 1.8819E+01 H2 5361 1.008000 0.423800 8.4245E+00 1.2498E+01 -1.9232E+01 O6 5362 15.999400 -0.847600 -1.9409E+01 -1.8491E+01 1.0003E+01 H1 5363 1.008000 0.423800 1.9037E+01 -1.7778E+01 9.7441E+00 H2 5364 1.008000 0.423800 -1.9397E+01 -1.9203E+01 9.3009E+00 O6 5365 15.999400 -0.847600 -9.2692E+00 -8.4719E+00 2.4481E+00 H1 5366 1.008000 0.423800 -9.4438E+00 -9.3990E+00 2.1164E+00 H2 5367 1.008000 0.423800 -9.2491E+00 -8.4739E+00 3.4479E+00 O6 5368 15.999400 -0.847600 1.2257E+01 1.1290E+01 5.2878E+00 H1 5369 1.008000 0.423800 1.1767E+01 1.2087E+01 5.6414E+00 H2 5370 1.008000 0.423800 1.2738E+01 1.0835E+01 6.0369E+00 O6 5371 15.999400 -0.847600 1.7473E+01 3.5799E-01 -7.9495E+00 H1 5372 1.008000 0.423800 1.8027E+01 1.4482E-01 -8.7540E+00 H2 5373 1.008000 0.423800 1.7124E+01 -4.9016E-01 -7.5512E+00 O6 5374 15.999400 -0.847600 1.7363E+01 -2.3955E+00 -1.8309E+01 H1 5375 1.008000 0.423800 1.7736E+01 -3.1109E+00 -1.7718E+01 H2 5376 1.008000 0.423800 1.6869E+01 -2.8157E+00 -1.9070E+01 O6 5377 15.999400 -0.847600 2.8540E-01 1.3828E+00 -1.6078E+01 H1 5378 1.008000 0.423800 1.2210E+00 1.1626E+00 -1.5802E+01 H2 5379 1.008000 0.423800 1.4766E-01 1.1152E+00 -1.7032E+01 O6 5380 15.999400 -0.847600 5.1437E+00 4.1131E+00 1.1050E+01 H1 5381 1.008000 0.423800 5.3198E+00 4.3739E+00 1.0101E+01 H2 5382 1.008000 0.423800 4.1576E+00 4.1063E+00 1.1217E+01 O6 5383 15.999400 -0.847600 1.5527E+01 1.4841E+01 -8.6387E+00 H1 5384 1.008000 0.423800 1.6114E+01 1.4074E+01 -8.8935E+00 H2 5385 1.008000 0.423800 1.4787E+01 1.4514E+01 -8.0503E+00 O6 5386 15.999400 -0.847600 1.6467E+01 -9.1961E+00 1.1597E+01 H1 5387 1.008000 0.423800 1.6566E+01 -8.2021E+00 1.1552E+01 H2 5388 1.008000 0.423800 1.6901E+01 -9.6107E+00 1.0797E+01 O6 5389 15.999400 -0.847600 -1.2010E+01 8.9073E+00 1.6327E+01 H1 5390 1.008000 0.423800 -1.1484E+01 9.4884E+00 1.6947E+01 H2 5391 1.008000 0.423800 -1.2894E+01 8.6915E+00 1.6741E+01 O6 5392 15.999400 -0.847600 -9.2016E+00 -2.8950E+00 -5.0415E+00 H1 5393 1.008000 0.423800 -8.7195E+00 -3.4492E+00 -5.7201E+00 H2 5394 1.008000 0.423800 -9.3143E+00 -1.9646E+00 -5.3902E+00 O6 5395 15.999400 -0.847600 1.6612E+00 6.7247E+00 1.0863E+00 H1 5396 1.008000 0.423800 1.2648E+00 5.9171E+00 1.5229E+00 H2 5397 1.008000 0.423800 2.2462E+00 6.4397E+00 3.2699E-01 O6 5398 15.999400 -0.847600 1.0039E+01 1.1386E+01 -1.7388E+01 H1 5399 1.008000 0.423800 1.0000E+01 1.1034E+01 -1.6452E+01 H2 5400 1.008000 0.423800 9.9815E+00 1.0625E+01 -1.8033E+01 O6 5401 15.999400 -0.847600 4.9394E+00 7.6655E+00 -4.2484E+00 H1 5402 1.008000 0.423800 5.7940E+00 7.3259E+00 -3.8554E+00 H2 5403 1.008000 0.423800 4.7187E+00 7.1402E+00 -5.0702E+00 O6 5404 15.999400 -0.847600 6.4592E+00 9.8711E+00 -1.8346E+01 H1 5405 1.008000 0.423800 6.8287E+00 8.9744E+00 -1.8590E+01 H2 5406 1.008000 0.423800 5.4616E+00 9.8495E+00 -1.8412E+01 O6 5407 15.999400 -0.847600 2.9870E+00 -6.5411E+00 1.6119E+01 H1 5408 1.008000 0.423800 3.8768E+00 -6.2605E+00 1.5759E+01 H2 5409 1.008000 0.423800 2.2917E+00 -6.4353E+00 1.5408E+01 O6 5410 15.999400 -0.847600 1.4719E+01 3.9195E+00 -1.1894E+01 H1 5411 1.008000 0.423800 1.4958E+01 4.1987E+00 -1.0964E+01 H2 5412 1.008000 0.423800 1.3810E+01 3.5018E+00 -1.1893E+01 O6 5413 15.999400 -0.847600 5.8019E+00 -1.3495E+01 1.0968E+01 H1 5414 1.008000 0.423800 5.0488E+00 -1.3774E+01 1.0372E+01 H2 5415 1.008000 0.423800 6.2154E+00 -1.2657E+01 1.0612E+01 O6 5416 15.999400 -0.847600 -1.1101E+01 6.3721E+00 -9.2512E-01 H1 5417 1.008000 0.423800 -1.1645E+01 6.2323E+00 -1.7529E+00 H2 5418 1.008000 0.423800 -1.1502E+01 5.8515E+00 -1.7139E-01 O6 5419 15.999400 -0.847600 8.0181E+00 7.6555E+00 -1.6630E+01 H1 5420 1.008000 0.423800 8.6105E+00 6.9809E+00 -1.6189E+01 H2 5421 1.008000 0.423800 8.5602E+00 8.4533E+00 -1.6894E+01 O6 5422 15.999400 -0.847600 9.3508E+00 1.4843E+01 -5.6818E+00 H1 5423 1.008000 0.423800 8.6001E+00 1.4907E+01 -5.0243E+00 H2 5424 1.008000 0.423800 1.0182E+01 1.5223E+01 -5.2762E+00 O6 5425 15.999400 -0.847600 -1.6415E+00 -1.7983E+01 8.0920E+00 H1 5426 1.008000 0.423800 -2.3883E+00 -1.8515E+01 7.6926E+00 H2 5427 1.008000 0.423800 -1.1493E+00 -1.8547E+01 8.7558E+00 O6 5428 15.999400 -0.847600 1.2523E+01 -1.7058E+01 3.8676E+00 H1 5429 1.008000 0.423800 1.2010E+01 -1.6579E+01 4.5805E+00 H2 5430 1.008000 0.423800 1.1936E+01 -1.7194E+01 3.0694E+00 O6 5431 15.999400 -0.847600 1.9300E+01 -9.5578E+00 2.4009E+00 H1 5432 1.008000 0.423800 1.8531E+01 -8.9668E+00 2.1571E+00 H2 5433 1.008000 0.423800 1.9548E+01 -1.0124E+01 1.6145E+00 O6 5434 15.999400 -0.847600 1.8455E+01 5.2978E+00 4.7691E+00 H1 5435 1.008000 0.423800 1.9116E+01 5.6830E+00 5.4129E+00 H2 5436 1.008000 0.423800 1.8598E+01 5.6991E+00 3.8644E+00 O6 5437 15.999400 -0.847600 5.3701E+00 -5.4918E+00 1.9429E+01 H1 5438 1.008000 0.423800 6.2321E+00 -4.9848E+00 1.9424E+01 H2 5439 1.008000 0.423800 4.9986E+00 -5.5090E+00 -1.8740E+01 O6 5440 15.999400 -0.847600 -1.7676E+01 5.3658E+00 2.5240E+00 H1 5441 1.008000 0.423800 -1.8509E+01 5.9135E+00 2.4454E+00 H2 5442 1.008000 0.423800 -1.7892E+01 4.4043E+00 2.3547E+00 O6 5443 15.999400 -0.847600 -8.3346E+00 1.2366E+01 -1.8706E+01 H1 5444 1.008000 0.423800 -7.6109E+00 1.2642E+01 -1.9339E+01 H2 5445 1.008000 0.423800 -9.0054E+00 1.3103E+01 -1.8625E+01 O6 5446 15.999400 -0.847600 3.0221E+00 -9.6831E+00 -8.9261E+00 H1 5447 1.008000 0.423800 3.3908E+00 -9.1164E+00 -8.1892E+00 H2 5448 1.008000 0.423800 2.4837E+00 -1.0429E+01 -8.5350E+00 O6 5449 15.999400 -0.847600 1.1686E+01 -2.9574E+00 1.7384E+01 H1 5450 1.008000 0.423800 1.1138E+01 -3.1271E+00 1.8203E+01 H2 5451 1.008000 0.423800 1.1550E+01 -2.0143E+00 1.7081E+01 O6 5452 15.999400 -0.847600 1.9251E+01 1.7085E+01 1.0306E+01 H1 5453 1.008000 0.423800 1.8315E+01 1.7431E+01 1.0362E+01 H2 5454 1.008000 0.423800 1.9369E+01 1.6334E+01 1.0955E+01 O6 5455 15.999400 -0.847600 8.2312E+00 1.4564E+01 -1.4905E+00 H1 5456 1.008000 0.423800 8.1481E+00 1.5555E+01 -1.5991E+00 H2 5457 1.008000 0.423800 7.4765E+00 1.4113E+01 -1.9662E+00 O6 5458 15.999400 -0.847600 -6.7152E+00 -1.8661E+01 1.7501E+01 H1 5459 1.008000 0.423800 -7.5248E+00 -1.8085E+01 1.7616E+01 H2 5460 1.008000 0.423800 -5.9204E+00 -1.8201E+01 1.7897E+01 O6 5461 15.999400 -0.847600 -5.8713E-01 -1.5643E+01 -1.7588E+01 H1 5462 1.008000 0.423800 -8.7183E-01 -1.6576E+01 -1.7365E+01 H2 5463 1.008000 0.423800 -1.3605E+00 -1.5143E+01 -1.7977E+01 O6 5464 15.999400 -0.847600 -7.7854E+00 -1.5916E+01 -1.0730E+01 H1 5465 1.008000 0.423800 -7.2583E+00 -1.6676E+01 -1.1111E+01 H2 5466 1.008000 0.423800 -8.5797E+00 -1.5738E+01 -1.1311E+01 O6 5467 15.999400 -0.847600 -5.7249E+00 -7.2225E+00 1.0828E+01 H1 5468 1.008000 0.423800 -5.4643E+00 -6.7580E+00 9.9821E+00 H2 5469 1.008000 0.423800 -6.0846E+00 -8.1304E+00 1.0613E+01 O6 5470 15.999400 -0.847600 -1.8417E+01 3.0157E+00 -6.4651E+00 H1 5471 1.008000 0.423800 -1.7827E+01 2.9262E+00 -7.2676E+00 H2 5472 1.008000 0.423800 -1.8289E+01 3.9196E+00 -6.0569E+00 O6 5473 15.999400 -0.847600 -4.1974E+00 1.7419E+01 5.1509E+00 H1 5474 1.008000 0.423800 -4.9738E+00 1.6825E+01 5.3623E+00 H2 5475 1.008000 0.423800 -3.3496E+00 1.6892E+01 5.2071E+00 O6 5476 15.999400 -0.847600 -1.5040E+01 1.9118E+00 1.7736E+01 H1 5477 1.008000 0.423800 -1.5262E+01 1.0973E+00 1.8272E+01 H2 5478 1.008000 0.423800 -1.5662E+01 1.9782E+00 1.6956E+01 O6 5479 15.999400 -0.847600 -6.2874E+00 -5.9904E+00 -1.2592E+01 H1 5480 1.008000 0.423800 -5.8541E+00 -6.7585E+00 -1.2121E+01 H2 5481 1.008000 0.423800 -5.6623E+00 -5.6283E+00 -1.3283E+01 O6 5482 15.999400 -0.847600 4.3842E+00 1.8270E+01 -5.9591E+00 H1 5483 1.008000 0.423800 3.4542E+00 1.8393E+01 -5.6128E+00 H2 5484 1.008000 0.423800 4.3867E+00 1.8378E+01 -6.9532E+00 O6 5485 15.999400 -0.847600 8.9337E+00 -3.0853E-01 2.4027E+00 H1 5486 1.008000 0.423800 8.7450E+00 6.5617E-01 2.2190E+00 H2 5487 1.008000 0.423800 8.2315E+00 -6.7511E-01 3.0130E+00 O6 5488 15.999400 -0.847600 -2.1434E+00 1.4929E+01 -1.6343E+01 H1 5489 1.008000 0.423800 -2.2428E+00 1.4107E+01 -1.6903E+01 H2 5490 1.008000 0.423800 -1.4681E+00 1.4763E+01 -1.5624E+01 O6 5491 15.999400 -0.847600 1.8402E+00 -1.2720E+01 -3.1681E+00 H1 5492 1.008000 0.423800 1.4029E+00 -1.3548E+01 -3.5182E+00 H2 5493 1.008000 0.423800 1.3222E+00 -1.2375E+01 -2.3853E+00 O6 5494 15.999400 -0.847600 -2.6944E+00 -1.4751E+01 -1.8887E+01 H1 5495 1.008000 0.423800 -2.6333E+00 -1.3992E+01 -1.9535E+01 H2 5496 1.008000 0.423800 -3.1546E+00 -1.5525E+01 -1.9323E+01 O6 5497 15.999400 -0.847600 -7.6304E+00 -1.2284E+01 -1.1636E+01 H1 5498 1.008000 0.423800 -7.7165E+00 -1.2095E+01 -1.0658E+01 H2 5499 1.008000 0.423800 -8.1296E+00 -1.1591E+01 -1.2156E+01 O6 5500 15.999400 -0.847600 1.2952E+01 9.6917E+00 -1.8928E+01 H1 5501 1.008000 0.423800 1.3248E+01 8.7740E+00 -1.8663E+01 H2 5502 1.008000 0.423800 1.1967E+01 9.7816E+00 -1.8775E+01 O6 5503 15.999400 -0.847600 -1.0851E+01 1.2920E+01 1.2291E+01 H1 5504 1.008000 0.423800 -9.8638E+00 1.2784E+01 1.2379E+01 H2 5505 1.008000 0.423800 -1.1115E+01 1.2833E+01 1.1331E+01 O6 5506 15.999400 -0.847600 1.1457E+01 -9.0089E+00 1.3742E+01 H1 5507 1.008000 0.423800 1.2074E+01 -8.2386E+00 1.3583E+01 H2 5508 1.008000 0.423800 1.0708E+01 -8.9782E+00 1.3080E+01 O6 5509 15.999400 -0.847600 -1.9041E+01 -1.7828E+01 4.5944E+00 H1 5510 1.008000 0.423800 -1.8113E+01 -1.8112E+01 4.3546E+00 H2 5511 1.008000 0.423800 -1.9390E+01 -1.8413E+01 5.3262E+00 O6 5512 15.999400 -0.847600 -7.5107E+00 -1.6056E+01 9.9501E+00 H1 5513 1.008000 0.423800 -7.0812E+00 -1.5223E+01 1.0297E+01 H2 5514 1.008000 0.423800 -7.4510E+00 -1.6071E+01 8.9520E+00 O6 5515 15.999400 -0.847600 1.7388E+01 -8.1415E+00 -1.4754E+01 H1 5516 1.008000 0.423800 1.8235E+01 -7.6220E+00 -1.4868E+01 H2 5517 1.008000 0.423800 1.6643E+01 -7.6732E+00 -1.5229E+01 O6 5518 15.999400 -0.847600 -5.9999E+00 -1.4301E+01 1.8693E+01 H1 5519 1.008000 0.423800 -6.3300E+00 -1.4158E+01 1.7760E+01 H2 5520 1.008000 0.423800 -6.5014E+00 -1.5058E+01 1.9112E+01 O6 5521 15.999400 -0.847600 -7.7091E-02 3.6768E-01 -1.8872E+01 H1 5522 1.008000 0.423800 4.2357E-01 -4.6242E-01 -1.9117E+01 H2 5523 1.008000 0.423800 -1.0567E+00 2.1777E-01 -1.9005E+01 O6 5524 15.999400 -0.847600 -7.8787E+00 -1.4460E+01 -1.6957E+01 H1 5525 1.008000 0.423800 -7.9832E+00 -1.4970E+01 -1.7811E+01 H2 5526 1.008000 0.423800 -8.5795E+00 -1.4753E+01 -1.6306E+01 O6 5527 15.999400 -0.847600 -5.0536E+00 1.6948E+01 -1.4057E+01 H1 5528 1.008000 0.423800 -4.1690E+00 1.6505E+01 -1.3910E+01 H2 5529 1.008000 0.423800 -5.1895E+00 1.7103E+01 -1.5036E+01 O6 5530 15.999400 -0.847600 -1.4891E+01 -6.1949E+00 1.9476E+01 H1 5531 1.008000 0.423800 -1.5726E+01 -6.1592E+00 -1.9073E+01 H2 5532 1.008000 0.423800 -1.4296E+01 -6.9209E+00 -1.9276E+01 O6 5533 15.999400 -0.847600 7.1729E+00 -1.0930E+01 7.6651E+00 H1 5534 1.008000 0.423800 8.1385E+00 -1.1182E+01 7.7318E+00 H2 5535 1.008000 0.423800 6.8289E+00 -1.0685E+01 8.5716E+00 O6 5536 15.999400 -0.847600 -4.0774E+00 1.6167E+01 -4.2210E+00 H1 5537 1.008000 0.423800 -3.6250E+00 1.5701E+01 -3.4604E+00 H2 5538 1.008000 0.423800 -4.0516E+00 1.5583E+01 -5.0322E+00 O6 5539 15.999400 -0.847600 -3.4081E+00 3.1825E+00 -5.1051E+00 H1 5540 1.008000 0.423800 -3.0282E+00 3.8134E+00 -4.4285E+00 H2 5541 1.008000 0.423800 -3.2771E+00 3.5589E+00 -6.0222E+00 O6 5542 15.999400 -0.847600 1.8053E+01 -6.2260E+00 1.2265E+01 H1 5543 1.008000 0.423800 1.7965E+01 -6.2621E+00 1.3260E+01 H2 5544 1.008000 0.423800 1.7209E+01 -5.8672E+00 1.1868E+01 O6 5545 15.999400 -0.847600 -6.0602E+00 9.8151E+00 9.4001E+00 H1 5546 1.008000 0.423800 -6.1910E+00 9.7507E+00 8.4108E+00 H2 5547 1.008000 0.423800 -6.5482E+00 1.0615E+01 9.7494E+00 O6 5548 15.999400 -0.847600 1.0183E+01 -7.3353E+00 1.7731E+01 H1 5549 1.008000 0.423800 1.0261E+01 -6.6365E+00 1.7020E+01 H2 5550 1.008000 0.423800 9.2366E+00 -7.6542E+00 1.7782E+01 O6 5551 15.999400 -0.847600 9.2130E+00 1.9376E+01 1.4075E+01 H1 5552 1.008000 0.423800 9.4985E+00 -1.9241E+01 1.3246E+01 H2 5553 1.008000 0.423800 1.0019E+01 1.9136E+01 1.4616E+01 O6 5554 15.999400 -0.847600 -4.0679E+00 1.0932E+01 4.0248E+00 H1 5555 1.008000 0.423800 -3.8975E+00 1.0252E+01 3.3119E+00 H2 5556 1.008000 0.423800 -4.8044E+00 1.1543E+01 3.7337E+00 O6 5557 15.999400 -0.847600 -9.7534E+00 1.9063E+01 -8.1757E-01 H1 5558 1.008000 0.423800 -9.4919E+00 -1.9246E+01 -1.3738E+00 H2 5559 1.008000 0.423800 -1.0485E+01 1.8559E+01 -1.2770E+00 O6 5560 15.999400 -0.847600 -4.5397E+00 9.6048E+00 -1.4721E+01 H1 5561 1.008000 0.423800 -4.7625E+00 9.1900E+00 -1.5603E+01 H2 5562 1.008000 0.423800 -3.6241E+00 1.0005E+01 -1.4762E+01 O6 5563 15.999400 -0.847600 -4.7886E+00 -1.8852E+01 -1.9839E+00 H1 5564 1.008000 0.423800 -4.6545E+00 -1.8662E+01 -2.9565E+00 H2 5565 1.008000 0.423800 -5.7676E+00 -1.8895E+01 -1.7846E+00 O6 5566 15.999400 -0.847600 3.9223E+00 -9.0070E+00 -1.6518E+01 H1 5567 1.008000 0.423800 3.0370E+00 -8.6339E+00 -1.6796E+01 H2 5568 1.008000 0.423800 4.6093E+00 -8.7848E+00 -1.7210E+01 O6 5569 15.999400 -0.847600 1.7029E+01 1.5953E+00 8.2166E+00 H1 5570 1.008000 0.423800 1.6125E+01 1.8666E+00 7.8876E+00 H2 5571 1.008000 0.423800 1.7516E+01 1.1099E+00 7.4905E+00 O6 5572 15.999400 -0.847600 4.9080E+00 -1.3279E+01 -6.4728E+00 H1 5573 1.008000 0.423800 5.4142E+00 -1.3078E+01 -7.3117E+00 H2 5574 1.008000 0.423800 4.2615E+00 -1.4022E+01 -6.6432E+00 O6 5575 15.999400 -0.847600 1.7683E+01 -1.7474E+01 -1.5523E+01 H1 5576 1.008000 0.423800 1.8570E+01 -1.7017E+01 -1.5575E+01 H2 5577 1.008000 0.423800 1.7310E+01 -1.7375E+01 -1.4601E+01 O6 5578 15.999400 -0.847600 2.1518E+00 1.5730E+01 2.7128E+00 H1 5579 1.008000 0.423800 2.7687E+00 1.5937E+01 1.9535E+00 H2 5580 1.008000 0.423800 2.5100E+00 1.6136E+01 3.5536E+00 O6 5581 15.999400 -0.847600 7.0318E+00 8.4709E-01 -6.1152E-01 H1 5582 1.008000 0.423800 7.1433E+00 1.2395E+00 3.0150E-01 H2 5583 1.008000 0.423800 7.0499E+00 -1.5083E-01 -5.4982E-01 O6 5584 15.999400 -0.847600 1.7524E+01 -7.4513E+00 -1.3242E+00 H1 5585 1.008000 0.423800 1.7177E+01 -6.5134E+00 -1.3308E+00 H2 5586 1.008000 0.423800 1.6864E+01 -8.0540E+00 -1.7728E+00 O6 5587 15.999400 -0.847600 -4.5014E+00 -2.9772E+00 -3.9468E+00 H1 5588 1.008000 0.423800 -4.8020E+00 -2.2202E+00 -3.3666E+00 H2 5589 1.008000 0.423800 -5.1181E+00 -3.0625E+00 -4.7294E+00 O6 5590 15.999400 -0.847600 -1.5948E+00 -1.3017E+01 -1.4331E+01 H1 5591 1.008000 0.423800 -2.0796E+00 -1.2814E+01 -1.5182E+01 H2 5592 1.008000 0.423800 -7.4030E-01 -1.2499E+01 -1.4303E+01 O6 5593 15.999400 -0.847600 -3.8572E+00 1.0003E+01 4.0743E-01 H1 5594 1.008000 0.423800 -3.7574E+00 9.3712E+00 1.1763E+00 H2 5595 1.008000 0.423800 -3.0718E+00 1.0621E+01 3.7991E-01 O6 5596 15.999400 -0.847600 1.9292E+01 -1.2807E+01 -2.5095E+00 H1 5597 1.008000 0.423800 1.9186E+01 -1.2083E+01 -3.1907E+00 H2 5598 1.008000 0.423800 -1.8919E+01 -1.2711E+01 -2.0561E+00 O6 5599 15.999400 -0.847600 1.4025E+01 -8.2176E+00 1.7980E+01 H1 5600 1.008000 0.423800 1.3649E+01 -7.9525E+00 1.7092E+01 H2 5601 1.008000 0.423800 1.3920E+01 -9.2041E+00 1.8105E+01 O6 5602 15.999400 -0.847600 6.9034E+00 7.0940E+00 5.0671E+00 H1 5603 1.008000 0.423800 6.3136E+00 7.5396E+00 4.3937E+00 H2 5604 1.008000 0.423800 6.3424E+00 6.7179E+00 5.8046E+00 O6 5605 15.999400 -0.847600 -3.5699E+00 2.1368E+00 1.7351E+01 H1 5606 1.008000 0.423800 -4.5466E+00 1.9618E+00 1.7228E+01 H2 5607 1.008000 0.423800 -3.4413E+00 2.8070E+00 1.8082E+01 O6 5608 15.999400 -0.847600 -1.2848E+01 -1.0921E-01 1.9489E+01 H1 5609 1.008000 0.423800 -1.3034E+01 8.2902E-01 1.9197E+01 H2 5610 1.008000 0.423800 -1.3692E+01 -6.4434E-01 1.9448E+01 O6 5611 15.999400 -0.847600 -4.0925E+00 7.9757E+00 9.8105E+00 H1 5612 1.008000 0.423800 -3.4107E+00 8.4271E+00 1.0386E+01 H2 5613 1.008000 0.423800 -4.8355E+00 8.6146E+00 9.6108E+00 O6 5614 15.999400 -0.847600 1.1139E+01 -3.4145E+00 -6.7611E+00 H1 5615 1.008000 0.423800 1.0291E+01 -2.9419E+00 -6.9988E+00 H2 5616 1.008000 0.423800 1.0965E+01 -4.0566E+00 -6.0145E+00 O6 5617 15.999400 -0.847600 -1.2253E+01 -8.9389E+00 -1.2305E+01 H1 5618 1.008000 0.423800 -1.3144E+01 -8.8935E+00 -1.2756E+01 H2 5619 1.008000 0.423800 -1.1892E+01 -9.8688E+00 -1.2373E+01 O6 5620 15.999400 -0.847600 8.6743E+00 6.8935E+00 -2.6833E+00 H1 5621 1.008000 0.423800 8.2198E+00 6.6219E+00 -3.5316E+00 H2 5622 1.008000 0.423800 9.0282E+00 6.0811E+00 -2.2199E+00 O6 5623 15.999400 -0.847600 -3.4518E+00 1.0989E+01 -1.1946E+01 H1 5624 1.008000 0.423800 -4.1279E+00 1.0284E+01 -1.1731E+01 H2 5625 1.008000 0.423800 -3.9210E+00 1.1825E+01 -1.2230E+01 O6 5626 15.999400 -0.847600 1.4948E+01 1.9278E+01 -9.7595E+00 H1 5627 1.008000 0.423800 1.4545E+01 1.9092E+01 -1.0656E+01 H2 5628 1.008000 0.423800 1.5414E+01 1.8459E+01 -9.4268E+00 O6 5629 15.999400 -0.847600 1.6331E+01 -1.6372E+01 -1.7802E+01 H1 5630 1.008000 0.423800 1.5572E+01 -1.5967E+01 -1.7293E+01 H2 5631 1.008000 0.423800 1.6911E+01 -1.6894E+01 -1.7177E+01 O6 5632 15.999400 -0.847600 -4.4391E+00 1.1508E+01 1.6621E+01 H1 5633 1.008000 0.423800 -5.3987E+00 1.1254E+01 1.6498E+01 H2 5634 1.008000 0.423800 -4.3604E+00 1.2158E+01 1.7376E+01 O6 5635 15.999400 -0.847600 1.5201E+01 -1.0531E+01 -1.6976E+01 H1 5636 1.008000 0.423800 1.4683E+01 -9.7534E+00 -1.6619E+01 H2 5637 1.008000 0.423800 1.5224E+01 -1.0485E+01 -1.7975E+01 O6 5638 15.999400 -0.847600 -7.7069E+00 -1.6196E+01 -1.9247E+01 H1 5639 1.008000 0.423800 -7.0974E+00 -1.6663E+01 -1.8606E+01 H2 5640 1.008000 0.423800 -8.2696E+00 -1.6871E+01 1.9374E+01 O6 5641 15.999400 -0.847600 6.4517E-01 9.6316E+00 1.4847E+01 H1 5642 1.008000 0.423800 -2.4298E-01 1.0089E+01 1.4896E+01 H2 5643 1.008000 0.423800 1.2872E+00 1.0205E+01 1.4338E+01 O6 5644 15.999400 -0.847600 1.8590E+01 1.4996E+01 1.1992E+01 H1 5645 1.008000 0.423800 1.7618E+01 1.4825E+01 1.1831E+01 H2 5646 1.008000 0.423800 1.8698E+01 1.5571E+01 1.2803E+01 O6 5647 15.999400 -0.847600 8.7805E+00 1.3073E+01 1.5310E+01 H1 5648 1.008000 0.423800 8.6578E+00 1.3652E+01 1.4504E+01 H2 5649 1.008000 0.423800 9.1101E+00 1.3630E+01 1.6073E+01 O6 5650 15.999400 -0.847600 -7.3185E-01 -6.2155E-01 1.2726E+01 H1 5651 1.008000 0.423800 -5.3069E-01 1.0104E-01 1.2065E+01 H2 5652 1.008000 0.423800 -2.6520E-01 -1.4627E+00 1.2453E+01 O6 5653 15.999400 -0.847600 -1.8001E+01 1.1062E+01 -6.8408E+00 H1 5654 1.008000 0.423800 -1.8140E+01 1.1471E+01 -7.7425E+00 H2 5655 1.008000 0.423800 -1.7023E+01 1.1036E+01 -6.6330E+00 O6 5656 15.999400 -0.847600 -8.7898E+00 -1.2789E+01 1.2675E+01 H1 5657 1.008000 0.423800 -8.0571E+00 -1.2727E+01 1.1997E+01 H2 5658 1.008000 0.423800 -9.3382E+00 -1.3607E+01 1.2498E+01 O6 5659 15.999400 -0.847600 -1.5982E+01 -1.7076E+01 1.7904E+01 H1 5660 1.008000 0.423800 -1.6315E+01 -1.8005E+01 1.8066E+01 H2 5661 1.008000 0.423800 -1.6755E+01 -1.6442E+01 1.7898E+01 O6 5662 15.999400 -0.847600 6.6444E+00 -1.8140E+00 1.0440E+01 H1 5663 1.008000 0.423800 6.1198E+00 -1.2409E+00 9.8106E+00 H2 5664 1.008000 0.423800 7.6107E+00 -1.5606E+00 1.0395E+01 O6 5665 15.999400 -0.847600 9.0903E+00 8.5404E-01 8.5876E+00 H1 5666 1.008000 0.423800 8.8847E+00 1.6698E+00 9.1283E+00 H2 5667 1.008000 0.423800 8.5025E+00 8.3340E-01 7.7788E+00 O6 5668 15.999400 -0.847600 1.0790E+01 -2.4031E+00 -1.2929E+01 H1 5669 1.008000 0.423800 1.1110E+01 -3.3479E+00 -1.2995E+01 H2 5670 1.008000 0.423800 1.0763E+01 -1.9959E+00 -1.3842E+01 O6 5671 15.999400 -0.847600 -1.4597E+01 1.1808E+01 -1.9165E+01 H1 5672 1.008000 0.423800 -1.4582E+01 1.2479E+01 1.9191E+01 H2 5673 1.008000 0.423800 -1.4305E+01 1.0918E+01 -1.9516E+01 O6 5674 15.999400 -0.847600 1.9420E+01 1.4189E+01 1.6502E+01 H1 5675 1.008000 0.423800 1.9230E+01 1.3218E+01 1.6359E+01 H2 5676 1.008000 0.423800 1.8886E+01 1.4523E+01 1.7278E+01 O6 5677 15.999400 -0.847600 1.7494E+01 -6.2788E+00 7.9553E+00 H1 5678 1.008000 0.423800 1.6609E+01 -5.9961E+00 8.3264E+00 H2 5679 1.008000 0.423800 1.7351E+01 -6.9487E+00 7.2267E+00 O6 5680 15.999400 -0.847600 -6.6983E+00 -1.8511E+01 2.1487E+00 H1 5681 1.008000 0.423800 -6.0561E+00 -1.9219E+01 2.4423E+00 H2 5682 1.008000 0.423800 -6.1923E+00 -1.7686E+01 1.8962E+00 O6 5683 15.999400 -0.847600 9.3761E+00 -1.2944E+01 1.2849E+01 H1 5684 1.008000 0.423800 8.4661E+00 -1.2892E+01 1.3261E+01 H2 5685 1.008000 0.423800 9.3434E+00 -1.3534E+01 1.2042E+01 O6 5686 15.999400 -0.847600 1.4479E+00 -1.4412E+01 1.8971E+01 H1 5687 1.008000 0.423800 1.5409E+00 -1.5342E+01 1.9328E+01 H2 5688 1.008000 0.423800 1.2258E+00 -1.3788E+01 -1.9378E+01 O6 5689 15.999400 -0.847600 -7.7241E+00 8.9840E+00 5.4398E+00 H1 5690 1.008000 0.423800 -7.9976E+00 8.0745E+00 5.7529E+00 H2 5691 1.008000 0.423800 -6.7825E+00 9.1650E+00 5.7237E+00 O6 5692 15.999400 -0.847600 1.4792E+01 -1.8000E+01 -6.3855E+00 H1 5693 1.008000 0.423800 1.5775E+01 -1.8168E+01 -6.4654E+00 H2 5694 1.008000 0.423800 1.4621E+01 -1.7383E+01 -5.6179E+00 O6 5695 15.999400 -0.847600 -8.9012E-01 1.6917E+01 -5.7563E+00 H1 5696 1.008000 0.423800 -4.0410E-01 1.6176E+01 -5.2925E+00 H2 5697 1.008000 0.423800 -1.4516E+00 1.7413E+01 -5.0941E+00 O6 5698 15.999400 -0.847600 1.9387E+01 9.2423E-01 -1.8998E+01 H1 5699 1.008000 0.423800 1.8760E+01 3.0118E-01 -1.8530E+01 H2 5700 1.008000 0.423800 1.9198E+01 1.8638E+00 -1.8712E+01 O6 5701 15.999400 -0.847600 -1.6903E+01 7.5128E+00 5.9686E+00 H1 5702 1.008000 0.423800 -1.7622E+01 7.2690E+00 6.6186E+00 H2 5703 1.008000 0.423800 -1.6193E+01 8.0379E+00 6.4385E+00 O6 5704 15.999400 -0.847600 -9.9732E+00 9.7970E+00 -1.3959E+01 H1 5705 1.008000 0.423800 -1.0385E+01 1.0044E+01 -1.4836E+01 H2 5706 1.008000 0.423800 -1.0586E+01 9.1809E+00 -1.3464E+01 O6 5707 15.999400 -0.847600 -1.4726E+01 -7.8246E+00 6.1377E+00 H1 5708 1.008000 0.423800 -1.5579E+01 -7.3025E+00 6.1166E+00 H2 5709 1.008000 0.423800 -1.3950E+01 -7.1945E+00 6.1563E+00 O6 5710 15.999400 -0.847600 1.5306E+01 4.4087E+00 -4.8206E+00 H1 5711 1.008000 0.423800 1.5959E+01 4.7583E+00 -5.4919E+00 H2 5712 1.008000 0.423800 1.5000E+01 3.4972E+00 -5.0961E+00 O6 5713 15.999400 -0.847600 1.4438E+01 1.1650E+01 -1.0754E+01 H1 5714 1.008000 0.423800 1.4035E+01 1.1814E+01 -9.8533E+00 H2 5715 1.008000 0.423800 1.4882E+01 1.2485E+01 -1.1078E+01 O6 5716 15.999400 -0.847600 9.2501E+00 -8.5844E+00 1.2089E+01 H1 5717 1.008000 0.423800 8.8143E+00 -7.7659E+00 1.1714E+01 H2 5718 1.008000 0.423800 8.5477E+00 -9.2499E+00 1.2341E+01 O6 5719 15.999400 -0.847600 1.6574E+01 1.0114E+01 -9.9909E+00 H1 5720 1.008000 0.423800 1.6690E+01 9.1260E+00 -9.8939E+00 H2 5721 1.008000 0.423800 1.5602E+01 1.0327E+01 -1.0091E+01 O6 5722 15.999400 -0.847600 -1.8969E+01 1.2346E+01 1.1622E+00 H1 5723 1.008000 0.423800 -1.9390E+01 1.2766E+01 3.5799E-01 H2 5724 1.008000 0.423800 -1.8601E+01 1.3061E+01 1.7568E+00 O6 5725 15.999400 -0.847600 -1.0294E+01 -1.0760E+01 2.0504E+00 H1 5726 1.008000 0.423800 -1.0330E+01 -1.1069E+01 1.1001E+00 H2 5727 1.008000 0.423800 -1.0136E+01 -1.1544E+01 2.6505E+00 O6 5728 15.999400 -0.847600 -1.8397E+01 -1.3938E+01 -1.4093E+01 H1 5729 1.008000 0.423800 -1.9048E+01 -1.3182E+01 -1.4167E+01 H2 5730 1.008000 0.423800 -1.8177E+01 -1.4096E+01 -1.3131E+01 O6 5731 15.999400 -0.847600 1.2136E+01 -1.2961E+01 7.5511E+00 H1 5732 1.008000 0.423800 1.2145E+01 -1.3600E+01 8.3207E+00 H2 5733 1.008000 0.423800 1.2698E+01 -1.3326E+01 6.8088E+00 O6 5734 15.999400 -0.847600 6.6632E+00 -1.2931E+01 -1.3666E+01 H1 5735 1.008000 0.423800 6.6296E+00 -1.3836E+01 -1.3243E+01 H2 5736 1.008000 0.423800 5.8382E+00 -1.2788E+01 -1.4213E+01 O6 5737 15.999400 -0.847600 1.9043E+01 -5.5814E+00 -1.0620E+01 H1 5738 1.008000 0.423800 1.8129E+01 -5.9205E+00 -1.0843E+01 H2 5739 1.008000 0.423800 -1.9499E+01 -6.3316E+00 -1.0261E+01 O6 5740 15.999400 -0.847600 8.0081E+00 2.2512E+00 1.5310E+00 H1 5741 1.008000 0.423800 7.6154E+00 2.7408E+00 2.3095E+00 H2 5742 1.008000 0.423800 8.6602E+00 2.8443E+00 1.0588E+00 O6 5743 15.999400 -0.847600 -1.8942E+01 1.0821E+01 5.8248E+00 H1 5744 1.008000 0.423800 -1.8377E+01 1.1223E+01 6.5454E+00 H2 5745 1.008000 0.423800 -1.9440E+01 1.1546E+01 5.3482E+00 O6 5746 15.999400 -0.847600 6.7592E+00 4.0078E+00 -1.3396E+01 H1 5747 1.008000 0.423800 7.3850E+00 4.2378E+00 -1.2650E+01 H2 5748 1.008000 0.423800 5.9040E+00 4.5131E+00 -1.3281E+01 O6 5749 15.999400 -0.847600 2.6214E+00 -1.6104E+01 -1.4586E+01 H1 5750 1.008000 0.423800 3.0737E+00 -1.5886E+01 -1.3721E+01 H2 5751 1.008000 0.423800 3.2722E+00 -1.5999E+01 -1.5338E+01 O6 5752 15.999400 -0.847600 -1.1366E+01 -1.1630E+01 -1.2536E+01 H1 5753 1.008000 0.423800 -1.0486E+01 -1.1509E+01 -1.2996E+01 H2 5754 1.008000 0.423800 -1.1211E+01 -1.1907E+01 -1.1588E+01 O6 5755 15.999400 -0.847600 -4.0821E+00 1.2336E+01 1.9531E+01 H1 5756 1.008000 0.423800 -3.4350E+00 1.2309E+01 -1.8805E+01 H2 5757 1.008000 0.423800 -4.9175E+00 1.2804E+01 -1.9279E+01 O6 5758 15.999400 -0.847600 5.3898E+00 6.1942E+00 1.6207E+01 H1 5759 1.008000 0.423800 4.5820E+00 5.6328E+00 1.6387E+01 H2 5760 1.008000 0.423800 6.2092E+00 5.6225E+00 1.6250E+01 O6 5761 15.999400 -0.847600 1.8901E+00 9.1603E+00 -1.1048E+01 H1 5762 1.008000 0.423800 2.5011E+00 9.8369E+00 -1.0637E+01 H2 5763 1.008000 0.423800 9.8772E-01 9.5678E+00 -1.1188E+01 O6 5764 15.999400 -0.847600 2.1445E+00 1.1334E+01 1.3507E+01 H1 5765 1.008000 0.423800 2.0830E+00 1.2098E+01 1.2865E+01 H2 5766 1.008000 0.423800 3.0772E+00 1.0974E+01 1.3507E+01 O6 5767 15.999400 -0.847600 -1.9133E+01 1.2456E+01 -3.3394E+00 H1 5768 1.008000 0.423800 -1.9082E+01 1.1530E+01 -3.7143E+00 H2 5769 1.008000 0.423800 -1.8277E+01 1.2673E+01 -2.8701E+00 O6 5770 15.999400 -0.847600 -1.5977E+01 -6.2334E+00 1.2086E+01 H1 5771 1.008000 0.423800 -1.5305E+01 -5.6699E+00 1.2566E+01 H2 5772 1.008000 0.423800 -1.6583E+01 -5.6456E+00 1.1549E+01 O6 5773 15.999400 -0.847600 -1.6681E+01 5.8080E-02 -1.4094E+01 H1 5774 1.008000 0.423800 -1.6172E+01 -2.5088E-01 -1.3290E+01 H2 5775 1.008000 0.423800 -1.6811E+01 -7.0940E-01 -1.4722E+01 O6 5776 15.999400 -0.847600 -7.0792E+00 -7.2016E+00 -1.8774E+01 H1 5777 1.008000 0.423800 -6.9771E+00 -6.2700E+00 -1.9123E+01 H2 5778 1.008000 0.423800 -6.3860E+00 -7.3731E+00 -1.8074E+01 O6 5779 15.999400 -0.847600 1.4116E+01 8.2460E+00 -1.5209E+01 H1 5780 1.008000 0.423800 1.4496E+01 7.4259E+00 -1.4781E+01 H2 5781 1.008000 0.423800 1.4791E+01 8.9836E+00 -1.5173E+01 O6 5782 15.999400 -0.847600 1.4041E+01 2.2005E+00 8.2558E+00 H1 5783 1.008000 0.423800 1.4093E+01 2.6800E+00 9.1318E+00 H2 5784 1.008000 0.423800 1.3813E+01 2.8520E+00 7.5321E+00 O6 5785 15.999400 -0.847600 1.2642E+01 1.4867E+01 -1.2411E+01 H1 5786 1.008000 0.423800 1.3201E+01 1.4459E+01 -1.3133E+01 H2 5787 1.008000 0.423800 1.3236E+01 1.5192E+01 -1.1674E+01 O6 5788 15.999400 -0.847600 1.9504E+01 1.8055E+01 7.4805E+00 H1 5789 1.008000 0.423800 1.9293E+01 1.7675E+01 8.3814E+00 H2 5790 1.008000 0.423800 1.8715E+01 1.7938E+01 6.8768E+00 O6 5791 15.999400 -0.847600 1.3207E+01 -1.1963E+01 1.2886E+01 H1 5792 1.008000 0.423800 1.2357E+01 -1.2041E+01 1.3408E+01 H2 5793 1.008000 0.423800 1.3931E+01 -1.1610E+01 1.3479E+01 O6 5794 15.999400 -0.847600 -1.8708E+01 -7.7436E+00 1.1911E+01 H1 5795 1.008000 0.423800 -1.7904E+01 -7.1796E+00 1.1725E+01 H2 5796 1.008000 0.423800 -1.9527E+01 -7.1694E+00 1.1903E+01 O6 5797 15.999400 -0.847600 -1.5042E+01 -1.0767E+01 -1.2369E-01 H1 5798 1.008000 0.423800 -1.4353E+01 -1.0582E+01 -8.2415E-01 H2 5799 1.008000 0.423800 -1.5109E+01 -9.9820E+00 4.9271E-01 O6 5800 15.999400 -0.847600 -1.7389E+01 -4.7601E-01 -1.8339E+01 H1 5801 1.008000 0.423800 -1.7277E+01 -1.1814E+00 -1.9039E+01 H2 5802 1.008000 0.423800 -1.8069E+01 1.9095E-01 -1.8644E+01 O6 5803 15.999400 -0.847600 -1.7883E+01 1.0307E+00 -1.4890E+00 H1 5804 1.008000 0.423800 -1.7593E+01 7.4361E-02 -1.5291E+00 H2 5805 1.008000 0.423800 -1.8873E+01 1.0848E+00 -1.6162E+00 O6 5806 15.999400 -0.847600 -5.4350E-02 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-1.0122E+01 H2 5823 1.008000 0.423800 8.2965E+00 -1.3991E+01 -8.8560E+00 O6 5824 15.999400 -0.847600 -1.5239E+01 1.6233E+01 1.3023E+01 H1 5825 1.008000 0.423800 -1.6135E+01 1.6161E+01 1.3460E+01 H2 5826 1.008000 0.423800 -1.4859E+01 1.5317E+01 1.2890E+01 O6 5827 15.999400 -0.847600 1.0196E+01 8.7822E+00 -5.6122E+00 H1 5828 1.008000 0.423800 9.9887E+00 7.8058E+00 -5.5521E+00 H2 5829 1.008000 0.423800 9.5440E+00 9.2244E+00 -6.2278E+00 O6 5830 15.999400 -0.847600 -3.0418E+00 -1.8319E+01 4.2926E+00 H1 5831 1.008000 0.423800 -2.7275E+00 -1.7659E+01 3.6104E+00 H2 5832 1.008000 0.423800 -2.3316E+00 -1.9007E+01 4.4426E+00 O6 5833 15.999400 -0.847600 1.6147E+01 1.9468E+01 -1.4167E+00 H1 5834 1.008000 0.423800 1.6752E+01 1.8856E+01 -9.0722E-01 H2 5835 1.008000 0.423800 1.6015E+01 1.9112E+01 -2.3418E+00 O6 5836 15.999400 -0.847600 1.0686E+01 -1.1959E+01 -1.7268E+01 H1 5837 1.008000 0.423800 1.1554E+01 -1.2267E+01 -1.6878E+01 H2 5838 1.008000 0.423800 9.9937E+00 -1.1914E+01 -1.6548E+01 O6 5839 15.999400 -0.847600 1.9512E+01 -5.9955E+00 -1.3477E+01 H1 5840 1.008000 0.423800 -1.9532E+01 -5.9690E+00 -1.2478E+01 H2 5841 1.008000 0.423800 1.8776E+01 -5.3943E+00 -1.3787E+01 O6 5842 15.999400 -0.847600 -1.6216E+01 1.7982E+01 -1.4766E+01 H1 5843 1.008000 0.423800 -1.5682E+01 1.7568E+01 -1.5503E+01 H2 5844 1.008000 0.423800 -1.5920E+01 1.8928E+01 -1.4632E+01 O6 5845 15.999400 -0.847600 -5.9419E+00 -1.7662E+01 -1.8087E+01 H1 5846 1.008000 0.423800 -6.6919E+00 -1.8308E+01 -1.7944E+01 H2 5847 1.008000 0.423800 -5.3959E+00 -1.7595E+01 -1.7252E+01 O6 5848 15.999400 -0.847600 4.4033E+00 -1.3329E+01 1.3507E+01 H1 5849 1.008000 0.423800 4.6868E+00 -1.3081E+01 1.2581E+01 H2 5850 1.008000 0.423800 4.3618E+00 -1.4325E+01 1.3588E+01 O6 5851 15.999400 -0.847600 1.7512E+01 -1.6785E+01 9.0618E+00 H1 5852 1.008000 0.423800 1.6859E+01 -1.7457E+01 8.7107E+00 H2 5853 1.008000 0.423800 1.7430E+01 -1.5936E+01 8.5400E+00 O6 5854 15.999400 -0.847600 6.7520E+00 -5.5307E+00 -1.4551E+01 H1 5855 1.008000 0.423800 7.7336E+00 -5.5618E+00 -1.4739E+01 H2 5856 1.008000 0.423800 6.5827E+00 -4.9438E+00 -1.3760E+01 O6 5857 15.999400 -0.847600 1.4471E+01 1.5757E+01 1.6075E+01 H1 5858 1.008000 0.423800 1.3681E+01 1.5504E+01 1.5516E+01 H2 5859 1.008000 0.423800 1.5053E+01 1.6388E+01 1.5564E+01 O6 5860 15.999400 -0.847600 4.0892E+00 1.1503E+00 -9.7731E-02 H1 5861 1.008000 0.423800 3.8066E+00 8.1594E-01 8.0140E-01 H2 5862 1.008000 0.423800 5.0826E+00 1.2629E+00 -1.1434E-01 O6 5863 15.999400 -0.847600 -5.6685E+00 9.5459E+00 -6.9246E+00 H1 5864 1.008000 0.423800 -4.9242E+00 1.0201E+01 -7.0530E+00 H2 5865 1.008000 0.423800 -6.3242E+00 9.6352E+00 -7.6743E+00 O6 5866 15.999400 -0.847600 1.6733E+01 -1.2761E+01 -4.2868E+00 H1 5867 1.008000 0.423800 1.5988E+01 -1.2225E+01 -4.6827E+00 H2 5868 1.008000 0.423800 1.7199E+01 -1.2219E+01 -3.5869E+00 O6 5869 15.999400 -0.847600 -4.3389E+00 9.5676E+00 1.9183E+01 H1 5870 1.008000 0.423800 -3.4106E+00 9.3265E+00 1.9466E+01 H2 5871 1.008000 0.423800 -4.3259E+00 1.0452E+01 1.8716E+01 O6 5872 15.999400 -0.847600 -1.3591E+01 9.2889E+00 1.2143E+01 H1 5873 1.008000 0.423800 -1.4240E+01 8.5284E+00 1.2114E+01 H2 5874 1.008000 0.423800 -1.3868E+01 9.9889E+00 1.1485E+01 O6 5875 15.999400 -0.847600 -1.8598E+01 -1.1552E+01 1.4178E+01 H1 5876 1.008000 0.423800 -1.7921E+01 -1.1869E+01 1.4843E+01 H2 5877 1.008000 0.423800 -1.8520E+01 -1.2092E+01 1.3340E+01 O6 5878 15.999400 -0.847600 -1.4279E+01 1.4051E+01 -1.5960E+01 H1 5879 1.008000 0.423800 -1.3810E+01 1.3776E+01 -1.5120E+01 H2 5880 1.008000 0.423800 -1.5144E+01 1.3557E+01 -1.6036E+01 O6 5881 15.999400 -0.847600 -6.0201E+00 -1.4317E+01 2.5435E-01 H1 5882 1.008000 0.423800 -5.8547E+00 -1.3909E+01 -6.4362E-01 H2 5883 1.008000 0.423800 -6.1911E+00 -1.3593E+01 9.2274E-01 O6 5884 15.999400 -0.847600 -1.5151E+01 1.7853E+01 -1.2048E+01 H1 5885 1.008000 0.423800 -1.5295E+01 1.7493E+01 -1.2969E+01 H2 5886 1.008000 0.423800 -1.5853E+01 1.8536E+01 -1.1843E+01 O6 5887 15.999400 -0.847600 1.1154E+01 1.5152E+01 -8.7450E+00 H1 5888 1.008000 0.423800 1.0692E+01 1.6035E+01 -8.6605E+00 H2 5889 1.008000 0.423800 1.1887E+01 1.5223E+01 -9.4208E+00 O6 5890 15.999400 -0.847600 5.8405E+00 6.9150E-01 3.7392E+00 H1 5891 1.008000 0.423800 5.3519E+00 -1.6610E-01 3.9000E+00 H2 5892 1.008000 0.423800 5.1807E+00 1.4325E+00 3.6140E+00 O6 5893 15.999400 -0.847600 6.0588E+00 1.4545E+00 1.1394E+01 H1 5894 1.008000 0.423800 5.9883E+00 2.4468E+00 1.1497E+01 H2 5895 1.008000 0.423800 5.3762E+00 1.0101E+00 1.1974E+01 O6 5896 15.999400 -0.847600 6.9852E+00 1.6822E+01 7.8357E+00 H1 5897 1.008000 0.423800 7.4127E+00 1.6940E+01 6.9394E+00 H2 5898 1.008000 0.423800 7.6950E+00 1.6712E+01 8.5315E+00 O6 5899 15.999400 -0.847600 -9.5033E+00 2.9222E+00 1.3666E+01 H1 5900 1.008000 0.423800 -8.6686E+00 2.3754E+00 1.3601E+01 H2 5901 1.008000 0.423800 -9.5867E+00 3.2938E+00 1.4591E+01 O6 5902 15.999400 -0.847600 -9.5951E+00 5.2495E+00 -8.5227E+00 H1 5903 1.008000 0.423800 -9.6922E+00 4.2669E+00 -8.6812E+00 H2 5904 1.008000 0.423800 -8.6588E+00 5.5302E+00 -8.7335E+00 O6 5905 15.999400 -0.847600 2.9221E+00 1.1663E+01 -3.6867E+00 H1 5906 1.008000 0.423800 2.6147E+00 1.1385E+01 -2.7764E+00 H2 5907 1.008000 0.423800 3.6457E+00 1.1046E+01 -3.9964E+00 O6 5908 15.999400 -0.847600 -5.7698E+00 -1.0797E+01 -1.3472E+01 H1 5909 1.008000 0.423800 -6.2102E+00 -1.1464E+01 -1.2871E+01 H2 5910 1.008000 0.423800 -6.3241E+00 -1.0673E+01 -1.4294E+01 O6 5911 15.999400 -0.847600 2.9313E+00 -1.8589E+01 6.0128E+00 H1 5912 1.008000 0.423800 2.1277E+00 -1.8082E+01 6.3243E+00 H2 5913 1.008000 0.423800 3.6636E+00 -1.7947E+01 5.7862E+00 O6 5914 15.999400 -0.847600 5.4326E-01 6.3621E-01 1.4946E+01 H1 5915 1.008000 0.423800 3.2334E-01 2.4108E-01 1.4054E+01 H2 5916 1.008000 0.423800 -1.7212E-01 3.9639E-01 1.5603E+01 O6 5917 15.999400 -0.847600 6.3316E+00 -1.8774E+01 -1.4313E+01 H1 5918 1.008000 0.423800 6.9252E+00 -1.7979E+01 -1.4193E+01 H2 5919 1.008000 0.423800 6.8201E+00 1.9497E+01 -1.4032E+01 O6 5920 15.999400 -0.847600 9.8543E+00 1.4063E+01 1.7658E+01 H1 5921 1.008000 0.423800 9.7713E+00 1.4993E+01 1.7300E+01 H2 5922 1.008000 0.423800 1.0820E+01 1.3843E+01 1.7793E+01 O6 5923 15.999400 -0.847600 -1.7433E+01 4.2687E+00 -1.1291E+01 H1 5924 1.008000 0.423800 -1.6896E+01 4.2016E+00 -1.2133E+01 H2 5925 1.008000 0.423800 -1.8263E+01 4.7982E+00 -1.1466E+01 O6 5926 15.999400 -0.847600 -9.3618E+00 -1.9348E+01 6.0734E+00 H1 5927 1.008000 0.423800 -1.0125E+01 -1.9410E+01 6.7161E+00 H2 5928 1.008000 0.423800 -9.4537E+00 -1.8516E+01 5.5262E+00 O6 5929 15.999400 -0.847600 1.7520E+01 7.4628E+00 -1.6807E+01 H1 5930 1.008000 0.423800 1.7041E+01 8.2606E+00 -1.6440E+01 H2 5931 1.008000 0.423800 1.7345E+01 6.6714E+00 -1.6221E+01 O6 5932 15.999400 -0.847600 -1.0810E+01 1.4993E+01 4.5257E-01 H1 5933 1.008000 0.423800 -1.1588E+01 1.4458E+01 1.2377E-01 H2 5934 1.008000 0.423800 -1.0422E+01 1.4554E+01 1.2629E+00 O6 5935 15.999400 -0.847600 -1.8498E+01 -2.6475E+00 -1.1559E+01 H1 5936 1.008000 0.423800 -1.9342E+01 -2.6311E+00 -1.2096E+01 H2 5937 1.008000 0.423800 -1.8438E+01 -3.5111E+00 -1.1059E+01 O6 5938 15.999400 -0.847600 -4.2841E+00 -1.3438E+00 -7.3583E+00 H1 5939 1.008000 0.423800 -4.8696E+00 -9.9594E-01 -8.0906E+00 H2 5940 1.008000 0.423800 -3.6430E+00 -6.2982E-01 -7.0767E+00 O6 5941 15.999400 -0.847600 3.1774E+00 -1.2791E+01 -1.1097E+01 H1 5942 1.008000 0.423800 2.8501E+00 -1.2683E+01 -1.0158E+01 H2 5943 1.008000 0.423800 3.9640E+00 -1.2192E+01 -1.1247E+01 O6 5944 15.999400 -0.847600 -9.6933E+00 -1.5078E+01 -1.4990E+01 H1 5945 1.008000 0.423800 -1.0530E+01 -1.5532E+01 -1.5299E+01 H2 5946 1.008000 0.423800 -9.7592E+00 -1.4888E+01 -1.4011E+01 O6 5947 15.999400 -0.847600 4.4890E+00 6.6110E+00 6.8601E+00 H1 5948 1.008000 0.423800 4.1333E+00 7.4860E+00 6.5317E+00 H2 5949 1.008000 0.423800 3.9942E+00 5.8629E+00 6.4179E+00 O6 5950 15.999400 -0.847600 7.1837E+00 8.6390E+00 9.2456E+00 H1 5951 1.008000 0.423800 7.9410E+00 8.8178E+00 8.6174E+00 H2 5952 1.008000 0.423800 7.4666E+00 7.9610E+00 9.9241E+00 O6 5953 15.999400 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1.3269E+00 -8.6773E+00 H2 5970 1.008000 0.423800 1.0384E+01 1.6866E+00 -8.9712E+00 O6 5971 15.999400 -0.847600 -2.6124E+00 3.6996E-02 8.0960E+00 H1 5972 1.008000 0.423800 -2.7184E+00 -8.4849E-01 8.5485E+00 H2 5973 1.008000 0.423800 -3.5141E+00 4.3340E-01 7.9239E+00 O6 5974 15.999400 -0.847600 -1.6880E+00 -1.2311E+00 -1.0189E+01 H1 5975 1.008000 0.423800 -1.0596E+00 -7.0511E-01 -9.6155E+00 H2 5976 1.008000 0.423800 -1.3903E+00 -1.1814E+00 -1.1142E+01 O6 5977 15.999400 -0.847600 1.4187E+01 -4.0364E+00 1.7154E+01 H1 5978 1.008000 0.423800 1.4379E+01 -4.2202E+00 1.6189E+01 H2 5979 1.008000 0.423800 1.3229E+01 -3.7705E+00 1.7258E+01 O6 5980 15.999400 -0.847600 1.0228E+01 2.2876E+00 -1.8701E+01 H1 5981 1.008000 0.423800 1.0597E+01 1.4523E+00 -1.9109E+01 H2 5982 1.008000 0.423800 9.3547E+00 2.5112E+00 -1.9134E+01 O6 5983 15.999400 -0.847600 -1.1488E+01 -4.2306E+00 -1.3961E+01 H1 5984 1.008000 0.423800 -1.2101E+01 -4.1273E+00 -1.4744E+01 H2 5985 1.008000 0.423800 -1.2006E+01 -4.5690E+00 -1.3175E+01 O6 5986 15.999400 -0.847600 -1.5321E-01 -8.7521E+00 -5.3319E+00 H1 5987 1.008000 0.423800 8.4679E-01 -8.7571E+00 -5.3340E+00 H2 5988 1.008000 0.423800 -4.8701E-01 -8.4812E+00 -6.2348E+00 O6 5989 15.999400 -0.847600 -1.7001E+00 9.1099E+00 -1.8938E+01 H1 5990 1.008000 0.423800 -1.1383E+00 8.6289E+00 1.9487E+01 H2 5991 1.008000 0.423800 -1.4845E+00 1.0086E+01 -1.8960E+01 O6 5992 15.999400 -0.847600 -4.5569E+00 -4.5676E+00 -1.0851E+00 H1 5993 1.008000 0.423800 -3.9134E+00 -3.8578E+00 -1.3717E+00 H2 5994 1.008000 0.423800 -4.0518E+00 -5.3926E+00 -8.3168E-01 O6 5995 15.999400 -0.847600 1.7281E+01 1.7400E+01 -6.4599E-01 H1 5996 1.008000 0.423800 1.6496E+01 1.7011E+01 -1.6501E-01 H2 5997 1.008000 0.423800 1.7612E+01 1.6747E+01 -1.3270E+00 O6 5998 15.999400 -0.847600 1.5997E+01 1.8460E+01 -4.0899E+00 H1 5999 1.008000 0.423800 1.6834E+01 1.8972E+01 -4.2830E+00 H2 6000 1.008000 0.423800 1.5732E+01 1.7936E+01 -4.8996E+00 O6 6001 15.999400 -0.847600 -4.8960E+00 1.8668E+01 2.6048E+00 H1 6002 1.008000 0.423800 -4.7735E+00 1.8372E+01 3.5520E+00 H2 6003 1.008000 0.423800 -4.6305E+00 1.7928E+01 1.9871E+00 O6 6004 15.999400 -0.847600 -8.5452E+00 9.7300E-01 1.6425E+00 H1 6005 1.008000 0.423800 -9.4818E+00 8.8540E-01 1.3031E+00 H2 6006 1.008000 0.423800 -8.0385E+00 1.3444E-01 1.4424E+00 timestep 20001 6006 0 1 0.001000 39.10 0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.3074E+01 1.3772E+01 1.9487E+00 O1 2 15.999400 -1.000000 -1.2062E+01 1.5089E+01 1.7696E+00 O2 3 15.999400 -1.000000 -1.3547E+01 1.3225E+01 4.4352E-01 O3 4 15.999400 -1.000000 -1.2265E+01 1.2554E+01 2.7552E+00 O4 5 15.999400 -1.000000 -1.4422E+01 1.4221E+01 2.8265E+00 CU 6 63.465000 2.000000 -1.1587E+01 1.1261E+01 3.6502E+00 O6 7 15.999400 -0.847600 1.2780E+01 7.7014E+00 1.4216E+01 H1 8 1.008000 0.423800 1.1890E+01 8.1490E+00 1.4296E+01 H2 9 1.008000 0.423800 1.3479E+01 8.2702E+00 1.4650E+01 O6 10 15.999400 -0.847600 1.7083E+01 1.6765E+01 9.0341E+00 H1 11 1.008000 0.423800 1.6303E+01 1.7344E+01 8.7983E+00 H2 12 1.008000 0.423800 1.6790E+01 1.5810E+01 9.0718E+00 O6 13 15.999400 -0.847600 -3.1651E-01 -1.2112E+01 5.3022E+00 H1 14 1.008000 0.423800 -8.3104E-01 -1.2332E+01 4.4734E+00 H2 15 1.008000 0.423800 -6.9778E-01 -1.1288E+01 5.7225E+00 O6 16 15.999400 -0.847600 -1.9142E-01 1.8477E+01 8.0823E+00 H1 17 1.008000 0.423800 -9.1076E-01 1.8191E+01 7.4494E+00 H2 18 1.008000 0.423800 6.3307E-01 1.8710E+01 7.5665E+00 O6 19 15.999400 -0.847600 -1.7719E+01 -1.7863E+01 1.3562E+01 H1 20 1.008000 0.423800 -1.8408E+01 -1.8422E+01 1.3100E+01 H2 21 1.008000 0.423800 -1.7530E+01 -1.8246E+01 1.4466E+01 O6 22 15.999400 -0.847600 -9.8672E+00 -1.1542E+01 1.7875E+01 H1 23 1.008000 0.423800 -9.3918E+00 -1.1097E+01 1.8634E+01 H2 24 1.008000 0.423800 -9.9314E+00 -1.2524E+01 1.8051E+01 O6 25 15.999400 -0.847600 8.0951E+00 -7.3953E+00 1.4011E+00 H1 26 1.008000 0.423800 9.0452E+00 -7.3690E+00 1.7120E+00 H2 27 1.008000 0.423800 8.0629E+00 -7.2371E+00 4.1427E-01 O6 28 15.999400 -0.847600 -7.8876E+00 -1.6060E+00 9.3658E-01 H1 29 1.008000 0.423800 -7.4129E+00 -2.4266E+00 1.2549E+00 H2 30 1.008000 0.423800 -7.2286E+00 -8.6239E-01 8.2390E-01 O6 31 15.999400 -0.847600 -4.0975E+00 1.7056E+01 1.4566E+01 H1 32 1.008000 0.423800 -3.3937E+00 1.7215E+01 1.3874E+01 H2 33 1.008000 0.423800 -3.7165E+00 1.6505E+01 1.5308E+01 O6 34 15.999400 -0.847600 -1.5290E+01 -1.0487E+00 -1.0745E+01 H1 35 1.008000 0.423800 -1.5771E+01 -3.2033E-01 -1.1233E+01 H2 36 1.008000 0.423800 -1.4870E+01 -1.6714E+00 -1.1405E+01 O6 37 15.999400 -0.847600 1.0407E+01 -6.9743E+00 2.7747E+00 H1 38 1.008000 0.423800 1.0625E+01 -7.9424E+00 2.8976E+00 H2 39 1.008000 0.423800 1.1217E+01 -6.4224E+00 2.9729E+00 O6 40 15.999400 -0.847600 -3.9477E+00 -6.7946E+00 -1.6772E+00 H1 41 1.008000 0.423800 -4.4028E+00 -5.9042E+00 -1.6689E+00 H2 42 1.008000 0.423800 -3.1563E+00 -6.7701E+00 -1.0665E+00 O6 43 15.999400 -0.847600 -7.0020E+00 -3.5485E+00 2.5958E+00 H1 44 1.008000 0.423800 -6.8565E+00 -3.1799E+00 3.5140E+00 H2 45 1.008000 0.423800 -6.1363E+00 -3.8949E+00 2.2347E+00 O6 46 15.999400 -0.847600 -9.8081E+00 1.5876E+01 4.0053E-01 H1 47 1.008000 0.423800 -1.0089E+01 1.6727E+01 -4.3196E-02 H2 48 1.008000 0.423800 -1.0561E+01 1.5526E+01 9.5774E-01 O6 49 15.999400 -0.847600 -9.2954E+00 1.5398E+01 -1.4176E+01 H1 50 1.008000 0.423800 -9.9181E+00 1.6121E+01 -1.3876E+01 H2 51 1.008000 0.423800 -8.3846E+00 1.5565E+01 -1.3799E+01 O6 52 15.999400 -0.847600 1.5731E+01 -3.8803E+00 -3.9891E+00 H1 53 1.008000 0.423800 1.5598E+01 -2.9296E+00 -3.7084E+00 H2 54 1.008000 0.423800 1.6165E+01 -3.9045E+00 -4.8894E+00 O6 55 15.999400 -0.847600 -1.0207E+01 -8.7031E+00 1.9434E+01 H1 56 1.008000 0.423800 -1.0009E+01 -7.7449E+00 -1.9456E+01 H2 57 1.008000 0.423800 -1.1174E+01 -8.8006E+00 1.9198E+01 O6 58 15.999400 -0.847600 8.5699E+00 -1.0211E+01 -1.1412E+01 H1 59 1.008000 0.423800 8.3608E+00 -1.0562E+01 -1.0499E+01 H2 60 1.008000 0.423800 7.9372E+00 -1.0611E+01 -1.2076E+01 O6 61 15.999400 -0.847600 -1.8255E+01 -1.5014E+01 1.8665E+01 H1 62 1.008000 0.423800 -1.8122E+01 -1.5864E+01 1.8155E+01 H2 63 1.008000 0.423800 -1.8178E+01 -1.5198E+01 -1.9453E+01 O6 64 15.999400 -0.847600 1.1314E+00 -1.6688E+01 8.5559E+00 H1 65 1.008000 0.423800 1.9292E-01 -1.6727E+01 8.8990E+00 H2 66 1.008000 0.423800 1.1231E+00 -1.6733E+01 7.5569E+00 O6 67 15.999400 -0.847600 -3.5370E+00 1.9016E+01 5.3985E+00 H1 68 1.008000 0.423800 -4.0074E+00 1.8405E+01 4.7620E+00 H2 69 1.008000 0.423800 -3.1116E+00 -1.9333E+01 4.8892E+00 O6 70 15.999400 -0.847600 1.6954E+01 -1.1192E+01 6.6643E+00 H1 71 1.008000 0.423800 1.6154E+01 -1.0732E+01 6.2794E+00 H2 72 1.008000 0.423800 1.6678E+01 -1.2074E+01 7.0469E+00 O6 73 15.999400 -0.847600 9.6340E-01 -1.0356E+01 -7.3664E-01 H1 74 1.008000 0.423800 5.9962E-01 -1.0447E+01 1.9041E-01 H2 75 1.008000 0.423800 5.0364E-01 -1.1007E+01 -1.3405E+00 O6 76 15.999400 -0.847600 4.9908E-01 1.2441E+01 -8.7611E+00 H1 77 1.008000 0.423800 -5.4992E-02 1.1783E+01 -9.2712E+00 H2 78 1.008000 0.423800 1.4298E+00 1.2447E+01 -9.1268E+00 O6 79 15.999400 -0.847600 1.9318E+00 -9.4510E+00 1.1318E+01 H1 80 1.008000 0.423800 1.9330E+00 -1.0427E+01 1.1534E+01 H2 81 1.008000 0.423800 2.1747E+00 -9.3221E+00 1.0357E+01 O6 82 15.999400 -0.847600 -4.8556E+00 -1.9972E+00 -6.8948E-01 H1 83 1.008000 0.423800 -4.2966E+00 -1.8909E+00 -1.5118E+00 H2 84 1.008000 0.423800 -5.1059E+00 -1.0952E+00 -3.3775E-01 O6 85 15.999400 -0.847600 -4.5233E+00 -1.7066E+00 -1.2044E+01 H1 86 1.008000 0.423800 -3.5870E+00 -1.3561E+00 -1.2070E+01 H2 87 1.008000 0.423800 -4.5450E+00 -2.5608E+00 -1.1525E+01 O6 88 15.999400 -0.847600 3.3472E+00 -1.2514E+01 1.9330E-01 H1 89 1.008000 0.423800 3.9396E+00 -1.3162E+01 -2.8561E-01 H2 90 1.008000 0.423800 3.2235E+00 -1.1697E+01 -3.6950E-01 O6 91 15.999400 -0.847600 -8.3471E+00 -1.7008E+01 -1.2671E+01 H1 92 1.008000 0.423800 -7.5109E+00 -1.6468E+01 -1.2575E+01 H2 93 1.008000 0.423800 -8.9102E+00 -1.6900E+01 -1.1852E+01 O6 94 15.999400 -0.847600 -9.9871E+00 5.6687E+00 -6.1513E-01 H1 95 1.008000 0.423800 -9.9862E+00 6.5958E+00 -2.4021E-01 H2 96 1.008000 0.423800 -1.0789E+01 5.1743E+00 -2.7950E-01 O6 97 15.999400 -0.847600 1.7572E+01 2.2939E+00 -1.8229E+01 H1 98 1.008000 0.423800 1.6620E+01 2.5992E+00 -1.8210E+01 H2 99 1.008000 0.423800 1.8163E+01 3.0237E+00 -1.7886E+01 O6 100 15.999400 -0.847600 2.6795E+00 -1.2305E+01 9.8600E+00 H1 101 1.008000 0.423800 2.2300E+00 -1.2139E+01 1.0738E+01 H2 102 1.008000 0.423800 3.0758E+00 -1.1451E+01 9.5218E+00 O6 103 15.999400 -0.847600 -1.7837E+01 7.1365E+00 -9.2492E+00 H1 104 1.008000 0.423800 -1.7895E+01 6.8403E+00 -8.2958E+00 H2 105 1.008000 0.423800 -1.7640E+01 8.1162E+00 -9.2825E+00 O6 106 15.999400 -0.847600 -9.6228E+00 5.2785E+00 -1.0840E+01 H1 107 1.008000 0.423800 -9.4715E+00 5.3468E+00 -1.1826E+01 H2 108 1.008000 0.423800 -8.9732E+00 5.8693E+00 -1.0362E+01 O6 109 15.999400 -0.847600 -8.5577E+00 1.8714E+01 7.8765E+00 H1 110 1.008000 0.423800 -7.8162E+00 1.8070E+01 8.0636E+00 H2 111 1.008000 0.423800 -8.5858E+00 1.8915E+01 6.8972E+00 O6 112 15.999400 -0.847600 1.8464E+00 -3.3060E+00 5.4337E+00 H1 113 1.008000 0.423800 2.3071E+00 -2.9213E+00 4.6338E+00 H2 114 1.008000 0.423800 1.2124E+00 -2.6304E+00 5.8100E+00 O6 115 15.999400 -0.847600 1.3073E+01 -9.9000E+00 -9.7367E+00 H1 116 1.008000 0.423800 1.3171E+01 -8.9219E+00 -9.9205E+00 H2 117 1.008000 0.423800 1.2704E+01 -1.0031E+01 -8.8165E+00 O6 118 15.999400 -0.847600 -1.6280E+00 -4.0799E+00 6.6318E+00 H1 119 1.008000 0.423800 -2.0828E+00 -3.7002E+00 7.4375E+00 H2 120 1.008000 0.423800 -8.9419E-01 -4.6942E+00 6.9218E+00 O6 121 15.999400 -0.847600 -7.4029E+00 1.1986E+01 -3.0452E-01 H1 122 1.008000 0.423800 -7.7449E+00 1.2643E+01 3.6745E-01 H2 123 1.008000 0.423800 -6.6032E+00 1.2368E+01 -7.6732E-01 O6 124 15.999400 -0.847600 -3.8102E+00 -1.6791E+01 -1.8229E+01 H1 125 1.008000 0.423800 -4.2099E+00 -1.7292E+01 -1.7461E+01 H2 126 1.008000 0.423800 -2.9948E+00 -1.6302E+01 -1.7920E+01 O6 127 15.999400 -0.847600 -1.3378E+01 -1.9451E+01 1.9150E+01 H1 128 1.008000 0.423800 -1.3937E+01 -1.9325E+01 1.8330E+01 H2 129 1.008000 0.423800 -1.3704E+01 -1.8840E+01 -1.9226E+01 O6 130 15.999400 -0.847600 1.3077E+01 -1.6843E+01 -4.6209E+00 H1 131 1.008000 0.423800 1.2835E+01 -1.6083E+01 -4.0180E+00 H2 132 1.008000 0.423800 1.2322E+01 -1.7022E+01 -5.2511E+00 O6 133 15.999400 -0.847600 1.9283E+01 1.3374E+01 5.9022E+00 H1 134 1.008000 0.423800 -1.8954E+01 1.3864E+01 6.0401E+00 H2 135 1.008000 0.423800 1.9107E+01 1.2783E+01 6.6891E+00 O6 136 15.999400 -0.847600 -1.5642E+01 2.4153E+00 5.4785E+00 H1 137 1.008000 0.423800 -1.5253E+01 2.2770E+00 6.3895E+00 H2 138 1.008000 0.423800 -1.4938E+01 2.7772E+00 4.8673E+00 O6 139 15.999400 -0.847600 3.6276E+00 -1.9136E+01 -9.0737E+00 H1 140 1.008000 0.423800 3.7385E+00 1.9498E+01 -8.1942E+00 H2 141 1.008000 0.423800 2.6949E+00 -1.9273E+01 -9.4072E+00 O6 142 15.999400 -0.847600 1.5946E+01 -1.5150E+01 -4.1112E+00 H1 143 1.008000 0.423800 1.6209E+01 -1.4241E+01 -4.4333E+00 H2 144 1.008000 0.423800 1.5104E+01 -1.5435E+01 -4.5695E+00 O6 145 15.999400 -0.847600 -7.7445E+00 -1.8009E+00 7.7363E+00 H1 146 1.008000 0.423800 -8.3492E+00 -2.5929E+00 7.8202E+00 H2 147 1.008000 0.423800 -7.2907E+00 -1.6339E+00 8.6117E+00 O6 148 15.999400 -0.847600 -3.5419E+00 5.6760E+00 -2.9234E+00 H1 149 1.008000 0.423800 -3.4221E+00 6.6029E+00 -3.2792E+00 H2 150 1.008000 0.423800 -4.1392E+00 5.1585E+00 -3.5361E+00 O6 151 15.999400 -0.847600 -1.8177E+01 -1.4005E+01 -4.9331E+00 H1 152 1.008000 0.423800 -1.8423E+01 -1.4458E+01 -5.7898E+00 H2 153 1.008000 0.423800 -1.7181E+01 -1.3984E+01 -4.8413E+00 O6 154 15.999400 -0.847600 1.8675E+01 1.3524E+01 -1.6353E+01 H1 155 1.008000 0.423800 1.9329E+01 1.3256E+01 -1.5646E+01 H2 156 1.008000 0.423800 1.8231E+01 1.4381E+01 -1.6089E+01 O6 157 15.999400 -0.847600 1.1042E+01 -8.8919E+00 -3.9716E+00 H1 158 1.008000 0.423800 1.0992E+01 -9.6309E+00 -3.2997E+00 H2 159 1.008000 0.423800 1.0899E+01 -8.0146E+00 -3.5136E+00 O6 160 15.999400 -0.847600 -1.6678E+01 -2.2389E+00 -8.6605E+00 H1 161 1.008000 0.423800 -1.6141E+01 -2.0502E+00 -9.4829E+00 H2 162 1.008000 0.423800 -1.7304E+01 -1.4783E+00 -8.4894E+00 O6 163 15.999400 -0.847600 -1.9416E+00 1.7294E+01 -1.7046E+00 H1 164 1.008000 0.423800 -1.7845E+00 1.6325E+01 -1.8957E+00 H2 165 1.008000 0.423800 -2.0657E+00 1.7788E+01 -2.5653E+00 O6 166 15.999400 -0.847600 3.2258E+00 1.8144E+01 -1.7842E+01 H1 167 1.008000 0.423800 4.0095E+00 1.7819E+01 -1.7313E+01 H2 168 1.008000 0.423800 3.4692E+00 1.8178E+01 -1.8812E+01 O6 169 15.999400 -0.847600 -2.7085E+00 -1.7593E+01 4.3774E+00 H1 170 1.008000 0.423800 -2.8591E+00 -1.6895E+01 5.0775E+00 H2 171 1.008000 0.423800 -3.2597E+00 -1.7381E+01 3.5706E+00 O6 172 15.999400 -0.847600 -8.0152E+00 1.1849E+01 9.3210E+00 H1 173 1.008000 0.423800 -8.5216E+00 1.1386E+01 1.0049E+01 H2 174 1.008000 0.423800 -7.1601E+00 1.2213E+01 9.6897E+00 O6 175 15.999400 -0.847600 -1.3250E+01 -1.9364E+01 2.6840E-01 H1 176 1.008000 0.423800 -1.3363E+01 1.8796E+01 5.9699E-01 H2 177 1.008000 0.423800 -1.3193E+01 -1.8742E+01 1.0492E+00 O6 178 15.999400 -0.847600 1.6601E+01 1.0874E+01 -6.8239E-01 H1 179 1.008000 0.423800 1.5732E+01 1.0477E+01 -9.7906E-01 H2 180 1.008000 0.423800 1.7164E+01 1.1080E+01 -1.4828E+00 O6 181 15.999400 -0.847600 1.0547E+01 7.7768E+00 -1.2493E+01 H1 182 1.008000 0.423800 9.7163E+00 7.4399E+00 -1.2051E+01 H2 183 1.008000 0.423800 1.0998E+01 8.4396E+00 -1.1895E+01 O6 184 15.999400 -0.847600 -4.5654E+00 2.5389E+00 5.5891E+00 H1 185 1.008000 0.423800 -4.2049E+00 1.6061E+00 5.5871E+00 H2 186 1.008000 0.423800 -4.3159E+00 2.9945E+00 4.7346E+00 O6 187 15.999400 -0.847600 9.4767E+00 -1.8454E+00 -1.7828E+01 H1 188 1.008000 0.423800 9.8766E+00 -1.8216E+00 -1.6911E+01 H2 189 1.008000 0.423800 1.0073E+01 -1.3570E+00 -1.8464E+01 O6 190 15.999400 -0.847600 -7.4531E+00 -6.1073E+00 1.3991E+01 H1 191 1.008000 0.423800 -8.1116E+00 -6.3510E+00 1.3279E+01 H2 192 1.008000 0.423800 -6.5247E+00 -6.1902E+00 1.3629E+01 O6 193 15.999400 -0.847600 -1.1193E+01 -1.6347E+01 1.1438E+01 H1 194 1.008000 0.423800 -1.0491E+01 -1.5635E+01 1.1444E+01 H2 195 1.008000 0.423800 -1.2076E+01 -1.5945E+01 1.1679E+01 O6 196 15.999400 -0.847600 6.4027E-01 1.8266E+01 -3.1055E+00 H1 197 1.008000 0.423800 2.9588E-01 1.7327E+01 -3.1215E+00 H2 198 1.008000 0.423800 1.6014E+00 1.8263E+01 -2.8293E+00 O6 199 15.999400 -0.847600 -5.5840E+00 -7.6868E+00 -1.1574E+01 H1 200 1.008000 0.423800 -6.4529E+00 -7.5904E+00 -1.2059E+01 H2 201 1.008000 0.423800 -4.8340E+00 -7.7123E+00 -1.2235E+01 O6 202 15.999400 -0.847600 -1.9091E+01 6.7977E+00 -1.6180E+01 H1 203 1.008000 0.423800 1.9471E+01 6.6744E+00 -1.5345E+01 H2 204 1.008000 0.423800 -1.8237E+01 7.2697E+00 -1.5962E+01 O6 205 15.999400 -0.847600 1.6252E+01 -2.2683E+00 1.1724E+01 H1 206 1.008000 0.423800 1.5568E+01 -1.8557E+00 1.1122E+01 H2 207 1.008000 0.423800 1.6817E+01 -1.5492E+00 1.2129E+01 O6 208 15.999400 -0.847600 1.4309E+01 7.6152E+00 -7.2897E+00 H1 209 1.008000 0.423800 1.4869E+01 6.8112E+00 -7.4918E+00 H2 210 1.008000 0.423800 1.3416E+01 7.3226E+00 -6.9494E+00 O6 211 15.999400 -0.847600 -8.9788E-01 1.8099E+01 2.8802E+00 H1 212 1.008000 0.423800 -4.7985E-01 1.8918E+01 3.2750E+00 H2 213 1.008000 0.423800 -7.4492E-01 1.7320E+01 3.4883E+00 O6 214 15.999400 -0.847600 2.9860E+00 -1.1828E+01 -4.2843E+00 H1 215 1.008000 0.423800 3.6011E+00 -1.1502E+01 -5.0025E+00 H2 216 1.008000 0.423800 3.1506E+00 -1.1310E+01 -3.4448E+00 O6 217 15.999400 -0.847600 1.9023E+01 -5.4383E+00 -6.7923E+00 H1 218 1.008000 0.423800 -1.9122E+01 -5.1420E+00 -6.8661E+00 H2 219 1.008000 0.423800 1.8858E+01 -5.8037E+00 -5.8763E+00 O6 220 15.999400 -0.847600 9.8668E+00 -1.2703E+00 5.1525E+00 H1 221 1.008000 0.423800 9.7482E+00 -2.1143E+00 4.6294E+00 H2 222 1.008000 0.423800 1.0834E+01 -1.1511E+00 5.3782E+00 O6 223 15.999400 -0.847600 -9.9117E-01 1.8917E+01 1.6428E+01 H1 224 1.008000 0.423800 -1.0885E+00 1.8841E+01 1.7420E+01 H2 225 1.008000 0.423800 -1.8182E+00 1.9327E+01 1.6042E+01 O6 226 15.999400 -0.847600 -1.8668E+01 1.4180E+01 1.2814E+01 H1 227 1.008000 0.423800 -1.7838E+01 1.4638E+01 1.3132E+01 H2 228 1.008000 0.423800 -1.9471E+01 1.4670E+01 1.3155E+01 O6 229 15.999400 -0.847600 -2.6286E+00 1.5310E+01 -1.1765E+01 H1 230 1.008000 0.423800 -3.2799E+00 1.4765E+01 -1.2293E+01 H2 231 1.008000 0.423800 -1.7455E+00 1.5321E+01 -1.2235E+01 O6 232 15.999400 -0.847600 -9.0294E+00 -3.2394E+00 -1.7156E+01 H1 233 1.008000 0.423800 -9.1224E+00 -2.4858E+00 -1.7807E+01 H2 234 1.008000 0.423800 -8.1442E+00 -3.1745E+00 -1.6696E+01 O6 235 15.999400 -0.847600 1.2285E+01 -1.4371E+01 -7.1695E-01 H1 236 1.008000 0.423800 1.2016E+01 -1.3829E+01 7.9010E-02 H2 237 1.008000 0.423800 1.2436E+01 -1.5320E+01 -4.3837E-01 O6 238 15.999400 -0.847600 1.3433E+01 -7.8630E+00 1.0570E+01 H1 239 1.008000 0.423800 1.4105E+01 -8.4956E+00 1.0185E+01 H2 240 1.008000 0.423800 1.3859E+01 -7.3257E+00 1.1297E+01 O6 241 15.999400 -0.847600 -1.3999E+01 -2.6926E+00 1.6072E+01 H1 242 1.008000 0.423800 -1.3257E+01 -2.2941E+00 1.5532E+01 H2 243 1.008000 0.423800 -1.3982E+01 -2.3106E+00 1.6996E+01 O6 244 15.999400 -0.847600 -1.3681E+01 -1.9090E+01 1.4155E+01 H1 245 1.008000 0.423800 -1.4239E+01 -1.8552E+01 1.3524E+01 H2 246 1.008000 0.423800 -1.2715E+01 -1.8985E+01 1.3918E+01 O6 247 15.999400 -0.847600 -3.0157E+00 -1.1431E+01 9.0272E-02 H1 248 1.008000 0.423800 -2.6270E+00 -1.0984E+01 -7.1553E-01 H2 249 1.008000 0.423800 -2.7625E+00 -1.0918E+01 9.1043E-01 O6 250 15.999400 -0.847600 -2.4221E+00 9.6538E+00 -1.3555E+01 H1 251 1.008000 0.423800 -2.4608E+00 1.0410E+01 -1.4208E+01 H2 252 1.008000 0.423800 -2.9342E+00 9.8975E+00 -1.2732E+01 O6 253 15.999400 -0.847600 6.0434E+00 9.5069E-01 -1.2247E+01 H1 254 1.008000 0.423800 5.1965E+00 1.4760E+00 -1.2330E+01 H2 255 1.008000 0.423800 6.6538E+00 1.1817E+00 -1.3005E+01 O6 256 15.999400 -0.847600 7.9710E+00 1.5350E+01 9.6709E+00 H1 257 1.008000 0.423800 7.0842E+00 1.5328E+01 9.2093E+00 H2 258 1.008000 0.423800 8.6813E+00 1.5031E+01 9.0435E+00 O6 259 15.999400 -0.847600 -3.3235E+00 1.2182E+01 1.8168E+00 H1 260 1.008000 0.423800 -3.8273E+00 1.2969E+01 1.4595E+00 H2 261 1.008000 0.423800 -2.9784E+00 1.2395E+01 2.7309E+00 O6 262 15.999400 -0.847600 -1.1086E+00 -3.9408E+00 1.9936E+00 H1 263 1.008000 0.423800 -1.4875E+00 -3.9457E+00 1.0681E+00 H2 264 1.008000 0.423800 -1.4558E+00 -4.7300E+00 2.5000E+00 O6 265 15.999400 -0.847600 1.2149E+01 5.6542E+00 -1.1497E+01 H1 266 1.008000 0.423800 1.2299E+01 5.6695E+00 -1.0508E+01 H2 267 1.008000 0.423800 1.1483E+01 6.3590E+00 -1.1744E+01 O6 268 15.999400 -0.847600 -1.9828E+00 -2.2578E+00 4.6238E+00 H1 269 1.008000 0.423800 -1.1766E+00 -2.0169E+00 4.0834E+00 H2 270 1.008000 0.423800 -1.7646E+00 -3.0283E+00 5.2226E+00 O6 271 15.999400 -0.847600 2.3657E-01 6.1432E-01 -1.3732E+01 H1 272 1.008000 0.423800 -6.4000E-02 1.2743E+00 -1.4421E+01 H2 273 1.008000 0.423800 1.1891E+00 3.6329E-01 -1.3904E+01 O6 274 15.999400 -0.847600 -3.1514E+00 -1.1744E+01 -3.8500E+00 H1 275 1.008000 0.423800 -2.5987E+00 -1.2295E+01 -4.4756E+00 H2 276 1.008000 0.423800 -3.4681E+00 -1.0921E+01 -4.3214E+00 O6 277 15.999400 -0.847600 -6.7843E+00 3.0749E+00 -1.3497E+01 H1 278 1.008000 0.423800 -6.4549E+00 2.2504E+00 -1.3957E+01 H2 279 1.008000 0.423800 -7.5230E+00 2.8329E+00 -1.2868E+01 O6 280 15.999400 -0.847600 -7.2838E-01 4.3044E+00 8.5813E+00 H1 281 1.008000 0.423800 -1.1989E-01 3.9043E+00 7.8960E+00 H2 282 1.008000 0.423800 -2.8755E-01 4.2714E+00 9.4783E+00 O6 283 15.999400 -0.847600 2.2168E+00 2.0179E+00 1.0460E+01 H1 284 1.008000 0.423800 1.9058E+00 2.5467E+00 1.1249E+01 H2 285 1.008000 0.423800 3.0357E+00 1.5000E+00 1.0707E+01 O6 286 15.999400 -0.847600 -3.5077E+00 -3.0604E+00 1.3096E+01 H1 287 1.008000 0.423800 -2.7484E+00 -3.0009E+00 1.2448E+01 H2 288 1.008000 0.423800 -3.6059E+00 -4.0052E+00 1.3409E+01 O6 289 15.999400 -0.847600 -2.9523E+00 -8.6048E+00 -1.0152E+01 H1 290 1.008000 0.423800 -2.0183E+00 -8.7728E+00 -9.8369E+00 H2 291 1.008000 0.423800 -2.9276E+00 -8.0766E+00 -1.1001E+01 O6 292 15.999400 -0.847600 -1.3114E+00 -6.8023E+00 -2.0347E-01 H1 293 1.008000 0.423800 -1.2787E+00 -7.3244E+00 6.4882E-01 H2 294 1.008000 0.423800 -4.8674E-01 -6.9858E+00 -7.3849E-01 O6 295 15.999400 -0.847600 1.7686E+01 1.6967E+01 1.8943E+00 H1 296 1.008000 0.423800 1.7975E+01 1.6216E+01 2.4876E+00 H2 297 1.008000 0.423800 1.6788E+01 1.7296E+01 2.1869E+00 O6 298 15.999400 -0.847600 9.3728E+00 -1.5979E+01 -1.0598E+01 H1 299 1.008000 0.423800 1.0195E+01 -1.6255E+01 -1.0100E+01 H2 300 1.008000 0.423800 9.0108E+00 -1.5135E+01 -1.0202E+01 O6 301 15.999400 -0.847600 1.2027E+01 -5.4271E+00 -1.7582E+01 H1 302 1.008000 0.423800 1.1146E+01 -5.0979E+00 -1.7242E+01 H2 303 1.008000 0.423800 1.2317E+01 -4.8633E+00 -1.8355E+01 O6 304 15.999400 -0.847600 1.1005E+01 -1.2471E+01 2.1332E+00 H1 305 1.008000 0.423800 1.0455E+01 -1.2008E+01 2.8282E+00 H2 306 1.008000 0.423800 1.1970E+01 -1.2435E+01 2.3932E+00 O6 307 15.999400 -0.847600 6.3948E-01 -1.0286E+01 1.6393E+01 H1 308 1.008000 0.423800 -1.6966E-01 -1.0848E+01 1.6221E+01 H2 309 1.008000 0.423800 4.0160E-01 -9.3201E+00 1.6293E+01 O6 310 15.999400 -0.847600 5.5711E+00 -7.5047E+00 -3.0665E+00 H1 311 1.008000 0.423800 4.6824E+00 -7.4098E+00 -2.6180E+00 H2 312 1.008000 0.423800 5.9616E+00 -6.5982E+00 -3.2275E+00 O6 313 15.999400 -0.847600 -1.2721E+01 -9.4088E+00 3.0793E+00 H1 314 1.008000 0.423800 -1.3172E+01 -1.0298E+01 3.0023E+00 H2 315 1.008000 0.423800 -1.3143E+01 -8.8845E+00 3.8190E+00 O6 316 15.999400 -0.847600 -3.4182E+00 -1.8869E+01 -7.8797E+00 H1 317 1.008000 0.423800 -2.9347E+00 1.9390E+01 -7.6290E+00 H2 318 1.008000 0.423800 -2.7548E+00 -1.8142E+01 -8.0567E+00 O6 319 15.999400 -0.847600 1.4178E+01 -3.0558E+00 -1.5291E+01 H1 320 1.008000 0.423800 1.3564E+01 -2.8549E+00 -1.4528E+01 H2 321 1.008000 0.423800 1.3742E+01 -2.7876E+00 -1.6150E+01 O6 322 15.999400 -0.847600 1.7679E+01 1.0821E+01 -1.5637E+01 H1 323 1.008000 0.423800 1.7661E+01 9.9819E+00 -1.6182E+01 H2 324 1.008000 0.423800 1.8028E+01 1.1573E+01 -1.6196E+01 O6 325 15.999400 -0.847600 9.5044E+00 -6.5758E+00 -1.4034E+01 H1 326 1.008000 0.423800 1.0179E+01 -7.3032E+00 -1.4162E+01 H2 327 1.008000 0.423800 9.5263E+00 -6.2639E+00 -1.3084E+01 O6 328 15.999400 -0.847600 3.6923E+00 1.4537E+01 -1.0158E+01 H1 329 1.008000 0.423800 3.4882E+00 1.5396E+01 -1.0626E+01 H2 330 1.008000 0.423800 4.1453E+00 1.4730E+01 -9.2876E+00 O6 331 15.999400 -0.847600 1.5898E+01 2.5230E+00 -1.1900E+01 H1 332 1.008000 0.423800 1.4990E+01 2.8238E+00 -1.1608E+01 H2 333 1.008000 0.423800 1.6102E+01 2.9066E+00 -1.2800E+01 O6 334 15.999400 -0.847600 1.9315E+01 -1.6397E+01 -9.8721E+00 H1 335 1.008000 0.423800 -1.9461E+01 -1.6052E+01 -8.9903E+00 H2 336 1.008000 0.423800 1.8637E+01 -1.7116E+01 -9.7213E+00 O6 337 15.999400 -0.847600 -1.5913E+00 -3.7164E+00 -1.7914E+01 H1 338 1.008000 0.423800 -2.2451E+00 -3.8537E+00 -1.8658E+01 H2 339 1.008000 0.423800 -8.3456E-01 -3.1475E+00 -1.8236E+01 O6 340 15.999400 -0.847600 3.6115E+00 -3.0043E+00 -1.3562E+01 H1 341 1.008000 0.423800 3.7681E+00 -2.5540E+00 -1.4441E+01 H2 342 1.008000 0.423800 2.6571E+00 -2.8814E+00 -1.3290E+01 O6 343 15.999400 -0.847600 9.7271E-02 1.4730E+01 2.1431E+00 H1 344 1.008000 0.423800 8.0303E-01 1.4075E+01 1.8720E+00 H2 345 1.008000 0.423800 -4.8502E-02 1.5388E+01 1.4043E+00 O6 346 15.999400 -0.847600 1.2514E+01 -1.4479E+01 -3.3401E+00 H1 347 1.008000 0.423800 1.2605E+01 -1.4455E+01 -2.3446E+00 H2 348 1.008000 0.423800 1.2794E+01 -1.3599E+01 -3.7220E+00 O6 349 15.999400 -0.847600 4.3695E+00 -9.0492E+00 1.2193E+01 H1 350 1.008000 0.423800 3.3853E+00 -9.1834E+00 1.2077E+01 H2 351 1.008000 0.423800 4.6527E+00 -9.4077E+00 1.3082E+01 O6 352 15.999400 -0.847600 -1.6585E+01 -9.1577E+00 -5.8325E+00 H1 353 1.008000 0.423800 -1.5820E+01 -8.5153E+00 -5.7763E+00 H2 354 1.008000 0.423800 -1.7364E+01 -8.7941E+00 -5.3217E+00 O6 355 15.999400 -0.847600 1.8826E+01 -1.3299E+01 -1.3059E+01 H1 356 1.008000 0.423800 1.8658E+01 -1.2870E+01 -1.3946E+01 H2 357 1.008000 0.423800 -1.9437E+01 -1.2921E+01 -1.2657E+01 O6 358 15.999400 -0.847600 -7.9694E+00 1.5070E+01 1.0203E+01 H1 359 1.008000 0.423800 -7.0138E+00 1.5360E+01 1.0254E+01 H2 360 1.008000 0.423800 -8.5646E+00 1.5872E+01 1.0258E+01 O6 361 15.999400 -0.847600 -1.3454E+01 -5.3249E+00 4.5373E+00 H1 362 1.008000 0.423800 -1.3726E+01 -4.8170E+00 5.3546E+00 H2 363 1.008000 0.423800 -1.3519E+01 -4.7285E+00 3.7372E+00 O6 364 15.999400 -0.847600 8.7421E+00 2.9067E+00 -7.9232E+00 H1 365 1.008000 0.423800 9.3991E+00 2.1528E+00 -7.9347E+00 H2 366 1.008000 0.423800 7.8133E+00 2.5387E+00 -7.8802E+00 O6 367 15.999400 -0.847600 4.0134E+00 -5.0657E-01 -1.1415E+01 H1 368 1.008000 0.423800 3.5410E+00 -1.1978E+00 -1.1962E+01 H2 369 1.008000 0.423800 4.8804E+00 -2.6998E-01 -1.1853E+01 O6 370 15.999400 -0.847600 1.7503E+01 1.6756E+01 -3.4922E+00 H1 371 1.008000 0.423800 1.7382E+01 1.7738E+01 -3.3488E+00 H2 372 1.008000 0.423800 1.8348E+01 1.6595E+01 -4.0010E+00 O6 373 15.999400 -0.847600 1.0101E+01 -1.4395E+01 -1.5560E+01 H1 374 1.008000 0.423800 1.0761E+01 -1.5129E+01 -1.5399E+01 H2 375 1.008000 0.423800 1.0035E+01 -1.3822E+01 -1.4743E+01 O6 376 15.999400 -0.847600 -9.9862E+00 -1.9192E+01 -1.8933E+01 H1 377 1.008000 0.423800 -1.0553E+01 -1.8716E+01 -1.8261E+01 H2 378 1.008000 0.423800 -1.0560E+01 -1.9511E+01 1.9410E+01 O6 379 15.999400 -0.847600 -1.1514E+01 1.8151E+00 1.9331E+01 H1 380 1.008000 0.423800 -1.2085E+01 1.0220E+00 1.9543E+01 H2 381 1.008000 0.423800 -1.0946E+01 2.0378E+00 -1.8974E+01 O6 382 15.999400 -0.847600 5.5272E+00 4.5550E+00 -1.6794E+01 H1 383 1.008000 0.423800 6.4010E+00 4.9873E+00 -1.7016E+01 H2 384 1.008000 0.423800 5.0351E+00 4.3436E+00 -1.7638E+01 O6 385 15.999400 -0.847600 2.7096E+00 -1.5291E+01 1.8627E+01 H1 386 1.008000 0.423800 3.3248E+00 -1.5874E+01 1.8096E+01 H2 387 1.008000 0.423800 3.2442E+00 -1.4608E+01 1.9124E+01 O6 388 15.999400 -0.847600 -9.6656E+00 1.3634E+01 1.2017E+01 H1 389 1.008000 0.423800 -9.2809E+00 1.3443E+01 1.2920E+01 H2 390 1.008000 0.423800 -9.0077E+00 1.4161E+01 1.1479E+01 O6 391 15.999400 -0.847600 -6.6681E+00 1.3539E+00 -9.2203E+00 H1 392 1.008000 0.423800 -5.9771E+00 1.7565E+00 -9.8206E+00 H2 393 1.008000 0.423800 -6.5064E+00 3.7042E-01 -9.1386E+00 O6 394 15.999400 -0.847600 -1.0826E+01 -7.1604E+00 -1.5456E+01 H1 395 1.008000 0.423800 -1.0085E+01 -7.5221E+00 -1.6022E+01 H2 396 1.008000 0.423800 -1.1706E+01 -7.4342E+00 -1.5844E+01 O6 397 15.999400 -0.847600 1.4140E+01 -1.5107E+01 1.4232E+01 H1 398 1.008000 0.423800 1.4521E+01 -1.4531E+01 1.4955E+01 H2 399 1.008000 0.423800 1.4884E+01 -1.5504E+01 1.3695E+01 O6 400 15.999400 -0.847600 1.0146E+01 3.2948E+00 1.4667E+00 H1 401 1.008000 0.423800 1.0690E+01 3.0258E+00 2.2619E+00 H2 402 1.008000 0.423800 1.0578E+01 2.9471E+00 6.3464E-01 O6 403 15.999400 -0.847600 2.2108E+00 1.1187E+01 -1.5344E+00 H1 404 1.008000 0.423800 1.6704E+00 1.0666E+01 -8.7364E-01 H2 405 1.008000 0.423800 3.0515E+00 1.1507E+01 -1.0981E+00 O6 406 15.999400 -0.847600 2.3438E+00 -1.7137E+01 2.4636E+00 H1 407 1.008000 0.423800 1.6066E+00 -1.7469E+01 3.0524E+00 H2 408 1.008000 0.423800 2.1803E+00 -1.6178E+01 2.2332E+00 O6 409 15.999400 -0.847600 -1.9103E+01 1.7895E+01 6.1212E+00 H1 410 1.008000 0.423800 -1.9202E+01 1.7536E+01 7.0493E+00 H2 411 1.008000 0.423800 -1.8511E+01 1.7289E+01 5.5904E+00 O6 412 15.999400 -0.847600 -1.6325E+01 -7.6489E+00 -1.4623E+01 H1 413 1.008000 0.423800 -1.7289E+01 -7.8429E+00 -1.4804E+01 H2 414 1.008000 0.423800 -1.6006E+01 -6.9339E+00 -1.5245E+01 O6 415 15.999400 -0.847600 -9.7855E+00 5.6370E+00 -5.6627E+00 H1 416 1.008000 0.423800 -1.0553E+01 6.0866E+00 -6.1190E+00 H2 417 1.008000 0.423800 -1.0090E+01 4.7657E+00 -5.2781E+00 O6 418 15.999400 -0.847600 -1.6931E+01 -6.4167E+00 1.2932E+01 H1 419 1.008000 0.423800 -1.7118E+01 -5.9751E+00 1.2055E+01 H2 420 1.008000 0.423800 -1.6465E+01 -7.2870E+00 1.2775E+01 O6 421 15.999400 -0.847600 6.1126E+00 1.5433E+01 -1.3318E+01 H1 422 1.008000 0.423800 6.0016E+00 1.4468E+01 -1.3081E+01 H2 423 1.008000 0.423800 6.3249E+00 1.5515E+01 -1.4292E+01 O6 424 15.999400 -0.847600 1.2976E+00 -1.4069E+01 4.5758E+00 H1 425 1.008000 0.423800 1.5533E+00 -1.3906E+01 3.6228E+00 H2 426 1.008000 0.423800 7.2723E-01 -1.3315E+01 4.9010E+00 O6 427 15.999400 -0.847600 -1.9420E+01 -1.6050E+01 -7.0601E+00 H1 428 1.008000 0.423800 1.8980E+01 -1.5346E+01 -6.9290E+00 H2 429 1.008000 0.423800 1.9434E+01 -1.6863E+01 -6.5311E+00 O6 430 15.999400 -0.847600 2.5763E+00 -1.8818E+00 -6.0970E+00 H1 431 1.008000 0.423800 2.5293E+00 -2.5695E+00 -5.3725E+00 H2 432 1.008000 0.423800 2.9972E+00 -1.0485E+00 -5.7387E+00 O6 433 15.999400 -0.847600 1.7305E+01 -3.1579E-01 -7.3710E+00 H1 434 1.008000 0.423800 1.7615E+01 -6.9718E-01 -8.2420E+00 H2 435 1.008000 0.423800 1.7913E+01 -6.2159E-01 -6.6382E+00 O6 436 15.999400 -0.847600 7.6345E-01 -3.0445E+00 9.2255E+00 H1 437 1.008000 0.423800 8.9607E-01 -3.2731E+00 1.0190E+01 H2 438 1.008000 0.423800 5.3200E-01 -3.8728E+00 8.7154E+00 O6 439 15.999400 -0.847600 5.7012E+00 -4.5875E+00 9.8958E+00 H1 440 1.008000 0.423800 5.9463E+00 -4.4804E+00 8.9323E+00 H2 441 1.008000 0.423800 6.4646E+00 -5.0038E+00 1.0390E+01 O6 442 15.999400 -0.847600 1.1853E+01 5.4845E+00 1.7881E+01 H1 443 1.008000 0.423800 1.2823E+01 5.2523E+00 1.7807E+01 H2 444 1.008000 0.423800 1.1393E+01 5.2766E+00 1.7018E+01 O6 445 15.999400 -0.847600 -7.6077E+00 5.8183E+00 4.7017E+00 H1 446 1.008000 0.423800 -8.0714E+00 6.6854E+00 4.8836E+00 H2 447 1.008000 0.423800 -7.7349E+00 5.5672E+00 3.7421E+00 O6 448 15.999400 -0.847600 1.4826E+01 1.8202E+01 8.6335E+00 H1 449 1.008000 0.423800 1.4142E+01 1.8537E+01 9.2817E+00 H2 450 1.008000 0.423800 1.4611E+01 1.8541E+01 7.7176E+00 O6 451 15.999400 -0.847600 1.0272E+00 -5.6142E+00 1.1153E+01 H1 452 1.008000 0.423800 5.3768E-01 -5.6931E+00 1.2022E+01 H2 453 1.008000 0.423800 1.9945E+00 -5.4334E+00 1.1331E+01 O6 454 15.999400 -0.847600 -7.5126E+00 7.0057E+00 -1.2583E+01 H1 455 1.008000 0.423800 -6.7316E+00 6.3991E+00 -1.2732E+01 H2 456 1.008000 0.423800 -7.3758E+00 7.8557E+00 -1.3092E+01 O6 457 15.999400 -0.847600 -4.5990E+00 -1.1710E+01 -1.7349E+01 H1 458 1.008000 0.423800 -5.5860E+00 -1.1609E+01 -1.7474E+01 H2 459 1.008000 0.423800 -4.3267E+00 -1.2643E+01 -1.7582E+01 O6 460 15.999400 -0.847600 -2.2772E+00 -1.8251E+01 -2.7920E-02 H1 461 1.008000 0.423800 -2.8961E+00 -1.9036E+01 -8.3994E-03 H2 462 1.008000 0.423800 -2.8111E+00 -1.7405E+01 -1.6672E-02 O6 463 15.999400 -0.847600 -7.8593E+00 -1.6793E+01 -1.8219E+01 H1 464 1.008000 0.423800 -8.6382E+00 -1.7273E+01 -1.8624E+01 H2 465 1.008000 0.423800 -7.9768E+00 -1.5807E+01 -1.8337E+01 O6 466 15.999400 -0.847600 1.2707E+01 -5.2728E+00 2.9999E+00 H1 467 1.008000 0.423800 1.3188E+01 -6.1345E+00 2.8371E+00 H2 468 1.008000 0.423800 1.2755E+01 -4.7038E+00 2.1790E+00 O6 469 15.999400 -0.847600 -1.5996E+01 -1.4187E+01 1.0642E+00 H1 470 1.008000 0.423800 -1.5398E+01 -1.3756E+01 3.8849E-01 H2 471 1.008000 0.423800 -1.5698E+01 -1.5129E+01 1.2200E+00 O6 472 15.999400 -0.847600 -1.2595E+01 -6.8663E+00 -6.8522E+00 H1 473 1.008000 0.423800 -1.2664E+01 -5.9522E+00 -7.2519E+00 H2 474 1.008000 0.423800 -1.1632E+01 -7.1028E+00 -6.7256E+00 O6 475 15.999400 -0.847600 -4.7501E-01 1.5113E+01 -9.4175E+00 H1 476 1.008000 0.423800 -1.4342E+00 1.5276E+01 -9.6489E+00 H2 477 1.008000 0.423800 -3.3653E-01 1.4140E+01 -9.2343E+00 O6 478 15.999400 -0.847600 1.5747E+01 -9.1408E+00 1.4827E+01 H1 479 1.008000 0.423800 1.5218E+01 -8.4043E+00 1.5248E+01 H2 480 1.008000 0.423800 1.5126E+01 -9.8587E+00 1.4511E+01 O6 481 15.999400 -0.847600 -1.3536E+01 1.7129E+01 7.3581E-01 H1 482 1.008000 0.423800 -1.4085E+01 1.6892E+01 -6.5167E-02 H2 483 1.008000 0.423800 -1.3093E+01 1.6306E+01 1.0922E+00 O6 484 15.999400 -0.847600 6.6804E+00 5.4367E+00 -7.8257E+00 H1 485 1.008000 0.423800 5.8110E+00 4.9634E+00 -7.9674E+00 H2 486 1.008000 0.423800 7.2707E+00 5.2943E+00 -8.6202E+00 O6 487 15.999400 -0.847600 8.6996E-01 -1.2929E+00 1.2429E+01 H1 488 1.008000 0.423800 3.9070E-01 -5.7725E-01 1.1921E+01 H2 489 1.008000 0.423800 1.8224E+00 -1.3350E+00 1.2127E+01 O6 490 15.999400 -0.847600 -9.6462E+00 -1.7129E+01 -1.0300E+01 H1 491 1.008000 0.423800 -9.8537E+00 -1.6205E+01 -9.9780E+00 H2 492 1.008000 0.423800 -9.4611E+00 -1.7721E+01 -9.5158E+00 O6 493 15.999400 -0.847600 -1.4834E+01 -1.0664E+01 -8.9126E+00 H1 494 1.008000 0.423800 -1.4692E+01 -1.0395E+01 -9.8653E+00 H2 495 1.008000 0.423800 -1.5810E+01 -1.0807E+01 -8.7481E+00 O6 496 15.999400 -0.847600 -7.6436E+00 -8.6070E+00 -5.5331E+00 H1 497 1.008000 0.423800 -7.0817E+00 -8.2864E+00 -4.7705E+00 H2 498 1.008000 0.423800 -7.0523E+00 -8.8661E+00 -6.2968E+00 O6 499 15.999400 -0.847600 -8.9330E+00 1.8218E+01 -1.2796E+01 H1 500 1.008000 0.423800 -8.8472E+00 1.8355E+01 -1.3783E+01 H2 501 1.008000 0.423800 -8.0915E+00 1.8514E+01 -1.2345E+01 O6 502 15.999400 -0.847600 -1.7668E+01 1.3835E+01 -2.8166E+00 H1 503 1.008000 0.423800 -1.7383E+01 1.3786E+01 -1.8590E+00 H2 504 1.008000 0.423800 -1.6985E+01 1.3381E+01 -3.3901E+00 O6 505 15.999400 -0.847600 -1.3999E+01 -3.7722E+00 6.6560E+00 H1 506 1.008000 0.423800 -1.3311E+01 -3.3995E+00 7.2789E+00 H2 507 1.008000 0.423800 -1.4617E+01 -3.0415E+00 6.3663E+00 O6 508 15.999400 -0.847600 1.8681E+01 -6.7662E-01 -5.1535E+00 H1 509 1.008000 0.423800 1.9240E+01 5.1236E-02 -4.7567E+00 H2 510 1.008000 0.423800 1.7927E+01 -8.9341E-01 -4.5333E+00 O6 511 15.999400 -0.847600 4.8232E-01 -7.6030E+00 -1.8894E+01 H1 512 1.008000 0.423800 1.9579E-01 -6.9231E+00 -1.8219E+01 H2 513 1.008000 0.423800 1.4200E+00 -7.8910E+00 -1.8700E+01 O6 514 15.999400 -0.847600 -1.8728E+01 1.0509E+01 1.9223E+00 H1 515 1.008000 0.423800 -1.8371E+01 1.0307E+01 1.0104E+00 H2 516 1.008000 0.423800 -1.9161E+01 1.1411E+01 1.9190E+00 O6 517 15.999400 -0.847600 4.8462E+00 -1.7142E+01 7.7173E+00 H1 518 1.008000 0.423800 4.5144E+00 -1.6319E+01 8.1770E+00 H2 519 1.008000 0.423800 4.9549E+00 -1.7877E+01 8.3871E+00 O6 520 15.999400 -0.847600 2.8526E+00 1.1975E+01 -1.0299E+01 H1 521 1.008000 0.423800 3.6511E+00 1.1379E+01 -1.0214E+01 H2 522 1.008000 0.423800 3.1367E+00 1.2929E+01 -1.0201E+01 O6 523 15.999400 -0.847600 -1.1305E+01 1.9395E+01 1.7102E+01 H1 524 1.008000 0.423800 -1.1956E+01 1.9495E+01 1.7855E+01 H2 525 1.008000 0.423800 -1.0999E+01 -1.8798E+01 1.6804E+01 O6 526 15.999400 -0.847600 2.0830E+00 -4.8038E+00 -1.6011E+01 H1 527 1.008000 0.423800 1.5985E+00 -3.9475E+00 -1.5832E+01 H2 528 1.008000 0.423800 2.4450E+00 -5.1677E+00 -1.5153E+01 O6 529 15.999400 -0.847600 -1.1840E+01 1.7975E+01 4.7133E+00 H1 530 1.008000 0.423800 -1.1224E+01 1.7486E+01 4.0957E+00 H2 531 1.008000 0.423800 -1.2787E+01 1.7804E+01 4.4443E+00 O6 532 15.999400 -0.847600 -2.2513E+00 9.5072E-01 -6.0175E+00 H1 533 1.008000 0.423800 -1.4851E+00 1.2838E+00 -5.4680E+00 H2 534 1.008000 0.423800 -3.1099E+00 1.1381E+00 -5.5403E+00 O6 535 15.999400 -0.847600 -1.7991E+01 6.8299E+00 1.7960E+01 H1 536 1.008000 0.423800 -1.7545E+01 5.9938E+00 1.8280E+01 H2 537 1.008000 0.423800 -1.8589E+01 6.6149E+00 1.7188E+01 O6 538 15.999400 -0.847600 -2.0409E+00 -4.0810E+00 -5.2744E-01 H1 539 1.008000 0.423800 -2.5149E+00 -3.8439E+00 -1.3754E+00 H2 540 1.008000 0.423800 -1.6214E+00 -4.9839E+00 -6.2148E-01 O6 541 15.999400 -0.847600 1.6012E+01 -4.0289E+00 1.3765E+01 H1 542 1.008000 0.423800 1.6056E+01 -3.4729E+00 1.2935E+01 H2 543 1.008000 0.423800 1.6778E+01 -4.6719E+00 1.3776E+01 O6 544 15.999400 -0.847600 -1.5339E+01 -1.0832E+01 -4.2037E+00 H1 545 1.008000 0.423800 -1.4812E+01 -1.0052E+01 -3.8666E+00 H2 546 1.008000 0.423800 -1.6116E+01 -1.0502E+01 -4.7406E+00 O6 547 15.999400 -0.847600 -1.8628E+01 3.9172E+00 -6.9883E-01 H1 548 1.008000 0.423800 -1.9467E+01 3.6566E+00 -2.2139E-01 H2 549 1.008000 0.423800 -1.7925E+01 3.2227E+00 -5.4185E-01 O6 550 15.999400 -0.847600 -5.8978E+00 -1.0489E+00 -4.3488E+00 H1 551 1.008000 0.423800 -5.3133E+00 -1.8532E+00 -4.4561E+00 H2 552 1.008000 0.423800 -6.7540E+00 -1.3158E+00 -3.9065E+00 O6 553 15.999400 -0.847600 1.5363E+01 -1.9182E+01 9.9576E-01 H1 554 1.008000 0.423800 1.4431E+01 -1.9222E+01 6.3640E-01 H2 555 1.008000 0.423800 1.5487E+01 -1.8331E+01 1.5071E+00 O6 556 15.999400 -0.847600 1.3208E+01 3.1323E+00 7.7052E+00 H1 557 1.008000 0.423800 1.3581E+01 2.5939E+00 8.4611E+00 H2 558 1.008000 0.423800 1.3303E+01 4.1063E+00 7.9113E+00 O6 559 15.999400 -0.847600 -7.1709E+00 -1.8166E+01 5.6711E+00 H1 560 1.008000 0.423800 -6.5304E+00 -1.8761E+01 6.1576E+00 H2 561 1.008000 0.423800 -7.8840E+00 -1.8723E+01 5.2449E+00 O6 562 15.999400 -0.847600 -4.9606E+00 -4.4229E-01 4.1346E+00 H1 563 1.008000 0.423800 -4.6343E+00 -8.5530E-01 3.2843E+00 H2 564 1.008000 0.423800 -4.3215E+00 -6.5324E-01 4.8742E+00 O6 565 15.999400 -0.847600 -1.7559E+01 1.1857E+01 1.4266E+01 H1 566 1.008000 0.423800 -1.7784E+01 1.2146E+01 1.3336E+01 H2 567 1.008000 0.423800 -1.6854E+01 1.1148E+01 1.4234E+01 O6 568 15.999400 -0.847600 3.5781E+00 -4.0027E+00 1.6166E+01 H1 569 1.008000 0.423800 3.9672E+00 -3.9043E+00 1.7082E+01 H2 570 1.008000 0.423800 2.8258E+00 -3.3537E+00 1.6052E+01 O6 571 15.999400 -0.847600 -1.8057E+01 -1.5417E+01 9.7933E+00 H1 572 1.008000 0.423800 -1.8255E+01 -1.4810E+01 9.0240E+00 H2 573 1.008000 0.423800 -1.7070E+01 -1.5442E+01 9.9529E+00 O6 574 15.999400 -0.847600 1.3804E+01 8.6213E+00 1.0738E+01 H1 575 1.008000 0.423800 1.4168E+01 7.7401E+00 1.0436E+01 H2 576 1.008000 0.423800 1.3055E+01 8.8966E+00 1.0136E+01 O6 577 15.999400 -0.847600 1.0878E+01 -5.9001E+00 1.5081E+01 H1 578 1.008000 0.423800 1.0901E+01 -5.4019E+00 1.4214E+01 H2 579 1.008000 0.423800 1.0010E+01 -5.7236E+00 1.5544E+01 O6 580 15.999400 -0.847600 -1.1738E+01 -1.3337E+01 5.8175E+00 H1 581 1.008000 0.423800 -1.2523E+01 -1.3951E+01 5.9000E+00 H2 582 1.008000 0.423800 -1.0958E+01 -1.3840E+01 5.4462E+00 O6 583 15.999400 -0.847600 1.7992E+01 -5.1864E+00 3.5606E+00 H1 584 1.008000 0.423800 1.7106E+01 -5.6136E+00 3.7437E+00 H2 585 1.008000 0.423800 1.8163E+01 -5.1828E+00 2.5753E+00 O6 586 15.999400 -0.847600 -1.1108E+01 -1.3751E+01 -5.5238E+00 H1 587 1.008000 0.423800 -1.1299E+01 -1.3195E+01 -4.7155E+00 H2 588 1.008000 0.423800 -1.1521E+01 -1.3324E+01 -6.3282E+00 O6 589 15.999400 -0.847600 -1.7770E+01 -4.6714E+00 1.7954E+01 H1 590 1.008000 0.423800 -1.6864E+01 -5.0952E+00 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9.3821E+00 1.9162E+01 1.4698E+01 H1 608 1.008000 0.423800 8.6955E+00 1.9187E+01 1.5425E+01 H2 609 1.008000 0.423800 8.9923E+00 1.9539E+01 1.3858E+01 O6 610 15.999400 -0.847600 1.5351E+01 -8.2020E+00 -1.5318E+01 H1 611 1.008000 0.423800 1.4618E+01 -7.9663E+00 -1.4680E+01 H2 612 1.008000 0.423800 1.5066E+01 -8.9786E+00 -1.5880E+01 O6 613 15.999400 -0.847600 -4.4539E+00 1.4102E+01 -5.0038E+00 H1 614 1.008000 0.423800 -4.9644E+00 1.4237E+01 -5.8531E+00 H2 615 1.008000 0.423800 -4.5007E+00 1.4935E+01 -4.4516E+00 O6 616 15.999400 -0.847600 -2.9880E+00 -9.7275E+00 -1.6896E+01 H1 617 1.008000 0.423800 -2.3603E+00 -9.7087E+00 -1.7674E+01 H2 618 1.008000 0.423800 -3.5963E+00 -1.0517E+01 -1.6977E+01 O6 619 15.999400 -0.847600 -1.7598E+01 -4.4476E+00 -7.5028E+00 H1 620 1.008000 0.423800 -1.7452E+01 -3.6568E+00 -8.0972E+00 H2 621 1.008000 0.423800 -1.6729E+01 -4.7209E+00 -7.0919E+00 O6 622 15.999400 -0.847600 1.2902E+01 -1.7014E+00 -1.7320E+01 H1 623 1.008000 0.423800 1.1934E+01 -1.8454E+00 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-1.4383E+01 8.5615E-01 1.4652E+01 H1 641 1.008000 0.423800 -1.4587E+01 8.1308E-01 1.5630E+01 H2 642 1.008000 0.423800 -1.5238E+01 8.6386E-01 1.4134E+01 O6 643 15.999400 -0.847600 -1.0933E+01 1.2577E+01 5.1308E+00 H1 644 1.008000 0.423800 -1.0072E+01 1.2770E+01 5.6016E+00 H2 645 1.008000 0.423800 -1.1454E+01 1.3424E+01 5.0295E+00 O6 646 15.999400 -0.847600 1.3807E+01 -1.2904E+01 -8.1178E+00 H1 647 1.008000 0.423800 1.4017E+01 -1.1926E+01 -8.1156E+00 H2 648 1.008000 0.423800 1.4581E+01 -1.3410E+01 -8.5002E+00 O6 649 15.999400 -0.847600 -2.7458E-01 1.5171E+00 -2.2052E+00 H1 650 1.008000 0.423800 -8.8497E-01 7.2690E-01 -2.2604E+00 H2 651 1.008000 0.423800 -8.1516E-01 2.3466E+00 -2.0651E+00 O6 652 15.999400 -0.847600 1.9289E+01 5.3172E+00 -2.4924E+00 H1 653 1.008000 0.423800 1.8486E+01 5.6366E+00 -1.9888E+00 H2 654 1.008000 0.423800 -1.9263E+01 4.7203E+00 -1.9048E+00 O6 655 15.999400 -0.847600 -1.8315E+01 1.9318E+01 9.7772E+00 H1 656 1.008000 0.423800 -1.8706E+01 -1.9068E+01 9.1926E+00 H2 657 1.008000 0.423800 -1.7328E+01 1.9267E+01 9.6255E+00 O6 658 15.999400 -0.847600 1.2733E+01 5.2356E+00 -1.7336E+01 H1 659 1.008000 0.423800 1.2268E+01 5.9972E+00 -1.6884E+01 H2 660 1.008000 0.423800 1.2549E+01 5.2683E+00 -1.8318E+01 O6 661 15.999400 -0.847600 -5.2704E-01 -1.6548E+01 -1.1447E+01 H1 662 1.008000 0.423800 -4.0611E-01 -1.6239E+01 -1.0504E+01 H2 663 1.008000 0.423800 -1.4925E+00 -1.6751E+01 -1.1610E+01 O6 664 15.999400 -0.847600 -1.5413E+01 1.5451E+01 -1.0715E+01 H1 665 1.008000 0.423800 -1.4807E+01 1.5983E+01 -1.1305E+01 H2 666 1.008000 0.423800 -1.5313E+01 1.5759E+01 -9.7689E+00 O6 667 15.999400 -0.847600 1.5133E+01 -1.5238E+01 1.9466E+01 H1 668 1.008000 0.423800 1.5026E+01 -1.4292E+01 1.9160E+01 H2 669 1.008000 0.423800 1.5756E+01 -1.5719E+01 1.8849E+01 O6 670 15.999400 -0.847600 6.9115E+00 -1.8420E+01 -4.5161E+00 H1 671 1.008000 0.423800 7.3784E+00 -1.7920E+01 -3.7865E+00 H2 672 1.008000 0.423800 6.0468E+00 -1.7966E+01 -4.7306E+00 O6 673 15.999400 -0.847600 -5.4929E+00 1.1959E+01 1.6034E+01 H1 674 1.008000 0.423800 -5.4805E+00 1.2877E+01 1.5640E+01 H2 675 1.008000 0.423800 -5.0829E+00 1.1314E+01 1.5389E+01 O6 676 15.999400 -0.847600 -1.3311E+01 7.1392E+00 -7.3943E-01 H1 677 1.008000 0.423800 -1.4226E+01 7.3329E+00 -3.8599E-01 H2 678 1.008000 0.423800 -1.3377E+01 6.8544E+00 -1.6958E+00 O6 679 15.999400 -0.847600 1.3588E+01 -6.4222E+00 8.2829E+00 H1 680 1.008000 0.423800 1.3584E+01 -6.7969E+00 9.2101E+00 H2 681 1.008000 0.423800 1.3365E+01 -5.4481E+00 8.3161E+00 O6 682 15.999400 -0.847600 -5.4125E+00 1.9496E+01 7.2014E+00 H1 683 1.008000 0.423800 -5.6471E+00 1.8671E+01 7.7152E+00 H2 684 1.008000 0.423800 -4.6128E+00 1.9316E+01 6.6286E+00 O6 685 15.999400 -0.847600 8.3379E-01 2.7440E+00 4.2640E-01 H1 686 1.008000 0.423800 1.8802E-01 2.2209E+00 9.8265E-01 H2 687 1.008000 0.423800 3.8339E-01 3.0423E+00 -4.1511E-01 O6 688 15.999400 -0.847600 -1.0881E+01 -1.7263E+01 1.5784E+01 H1 689 1.008000 0.423800 -1.1239E+01 -1.6362E+01 1.5542E+01 H2 690 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1.008000 0.423800 -1.4553E+01 -8.4021E+00 1.3029E+01 H2 807 1.008000 0.423800 -1.5339E+01 -8.2863E+00 1.1603E+01 O6 808 15.999400 -0.847600 1.7752E+01 4.3880E+00 3.4222E+00 H1 809 1.008000 0.423800 1.8240E+01 5.2021E+00 3.1078E+00 H2 810 1.008000 0.423800 1.8274E+01 3.9471E+00 4.1520E+00 O6 811 15.999400 -0.847600 -5.2856E+00 1.8788E+01 -6.5054E+00 H1 812 1.008000 0.423800 -5.4346E+00 1.7921E+01 -6.9820E+00 H2 813 1.008000 0.423800 -4.8084E+00 1.9424E+01 -7.1117E+00 O6 814 15.999400 -0.847600 -1.9355E+01 1.7177E+01 8.6986E+00 H1 815 1.008000 0.423800 -1.9058E+01 1.7988E+01 9.2028E+00 H2 816 1.008000 0.423800 1.8884E+01 1.6840E+01 9.0857E+00 O6 817 15.999400 -0.847600 -1.7770E+01 1.0238E+01 1.0515E+01 H1 818 1.008000 0.423800 -1.7143E+01 1.0178E+01 9.7384E+00 H2 819 1.008000 0.423800 -1.8189E+01 1.1146E+01 1.0536E+01 O6 820 15.999400 -0.847600 -1.6748E+01 3.1809E+00 8.3764E+00 H1 821 1.008000 0.423800 -1.6756E+01 3.9743E+00 7.7677E+00 H2 822 1.008000 0.423800 -1.5901E+01 2.6660E+00 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1.8779E+01 1.4003E+01 4.5162E+00 H2 873 1.008000 0.423800 1.7308E+01 1.4315E+01 3.8816E+00 O6 874 15.999400 -0.847600 -9.8703E+00 1.2271E+01 1.6411E+01 H1 875 1.008000 0.423800 -1.0585E+01 1.1571E+01 1.6394E+01 H2 876 1.008000 0.423800 -1.0291E+01 1.3177E+01 1.6446E+01 O6 877 15.999400 -0.847600 -9.3015E+00 5.3996E+00 -1.5985E+01 H1 878 1.008000 0.423800 -8.4897E+00 5.9629E+00 -1.5832E+01 H2 879 1.008000 0.423800 -9.5776E+00 4.9711E+00 -1.5125E+01 O6 880 15.999400 -0.847600 -1.1298E+01 1.6786E+01 -1.2302E+01 H1 881 1.008000 0.423800 -1.0902E+01 1.5889E+01 -1.2107E+01 H2 882 1.008000 0.423800 -1.0574E+01 1.7476E+01 -1.2307E+01 O6 883 15.999400 -0.847600 -7.5162E+00 -4.4720E+00 -1.2222E+01 H1 884 1.008000 0.423800 -6.8225E+00 -4.1943E+00 -1.2886E+01 H2 885 1.008000 0.423800 -7.3352E+00 -5.4090E+00 -1.1923E+01 O6 886 15.999400 -0.847600 -1.0530E+01 -1.0626E+01 -1.0791E+00 H1 887 1.008000 0.423800 -1.0179E+01 -9.7543E+00 -1.4204E+00 H2 888 1.008000 0.423800 -1.0639E+01 -1.0576E+01 -8.6379E-02 O6 889 15.999400 -0.847600 6.2518E+00 -1.6835E+01 1.5410E+01 H1 890 1.008000 0.423800 5.3680E+00 -1.6861E+01 1.5877E+01 H2 891 1.008000 0.423800 6.9549E+00 -1.6514E+01 1.6045E+01 O6 892 15.999400 -0.847600 7.4984E+00 1.2236E+01 1.5644E+01 H1 893 1.008000 0.423800 6.9296E+00 1.1424E+01 1.5771E+01 H2 894 1.008000 0.423800 7.1446E+00 1.2983E+01 1.6208E+01 O6 895 15.999400 -0.847600 -1.6312E+01 -1.8289E+01 6.1609E+00 H1 896 1.008000 0.423800 -1.7311E+01 -1.8236E+01 6.1364E+00 H2 897 1.008000 0.423800 -1.5954E+01 -1.7556E+01 6.7389E+00 O6 898 15.999400 -0.847600 3.5894E+00 -3.4088E+00 7.4411E+00 H1 899 1.008000 0.423800 2.9925E+00 -3.6687E+00 6.6821E+00 H2 900 1.008000 0.423800 3.3433E+00 -3.9362E+00 8.2543E+00 O6 901 15.999400 -0.847600 -1.4512E+01 6.7805E+00 1.7849E+01 H1 902 1.008000 0.423800 -1.4356E+01 6.6182E+00 1.8824E+01 H2 903 1.008000 0.423800 -1.5440E+01 7.1263E+00 1.7713E+01 O6 904 15.999400 -0.847600 -5.5486E+00 -1.9072E+01 -9.7551E+00 H1 905 1.008000 0.423800 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-1.1516E+01 O6 922 15.999400 -0.847600 1.5668E+00 6.0122E+00 1.5213E+01 H1 923 1.008000 0.423800 1.5157E+00 6.2683E+00 1.4247E+01 H2 924 1.008000 0.423800 2.0211E+00 6.7397E+00 1.5727E+01 O6 925 15.999400 -0.847600 7.5897E+00 1.1684E+01 -2.3232E+00 H1 926 1.008000 0.423800 7.7289E+00 1.0839E+01 -2.8393E+00 H2 927 1.008000 0.423800 6.7677E+00 1.2146E+01 -2.6560E+00 O6 928 15.999400 -0.847600 4.4775E-01 1.1137E+01 1.2052E+01 H1 929 1.008000 0.423800 9.6736E-01 1.0617E+01 1.2730E+01 H2 930 1.008000 0.423800 1.0597E+00 1.1433E+01 1.1319E+01 O6 931 15.999400 -0.847600 -1.9123E+01 3.1830E+00 1.4879E+01 H1 932 1.008000 0.423800 -1.9364E+01 2.3645E+00 1.5401E+01 H2 933 1.008000 0.423800 -1.9302E+01 3.0242E+00 1.3908E+01 O6 934 15.999400 -0.847600 1.4314E+00 1.2037E+01 7.1624E+00 H1 935 1.008000 0.423800 2.0277E+00 1.1826E+01 7.9370E+00 H2 936 1.008000 0.423800 1.5508E+00 1.1345E+01 6.4513E+00 O6 937 15.999400 -0.847600 5.4421E+00 -8.5690E+00 -8.7793E+00 H1 938 1.008000 0.423800 5.9424E+00 -8.7822E+00 -7.9402E+00 H2 939 1.008000 0.423800 6.0517E+00 -8.1054E+00 -9.4222E+00 O6 940 15.999400 -0.847600 -4.1351E-01 -5.9602E+00 -1.6897E+01 H1 941 1.008000 0.423800 4.5482E-01 -5.5970E+00 -1.6560E+01 H2 942 1.008000 0.423800 -8.5639E-01 -5.2781E+00 -1.7479E+01 O6 943 15.999400 -0.847600 4.4927E+00 -7.3457E+00 7.1308E+00 H1 944 1.008000 0.423800 3.8944E+00 -7.3683E+00 6.3299E+00 H2 945 1.008000 0.423800 4.0166E+00 -6.9020E+00 7.8900E+00 O6 946 15.999400 -0.847600 -8.1342E+00 -2.0973E+00 -3.3708E+00 H1 947 1.008000 0.423800 -7.9983E+00 -2.8727E+00 -3.9875E+00 H2 948 1.008000 0.423800 -8.4385E+00 -2.4307E+00 -2.4784E+00 O6 949 15.999400 -0.847600 8.6013E+00 5.6011E+00 5.8523E+00 H1 950 1.008000 0.423800 8.6631E+00 4.7978E+00 5.2598E+00 H2 951 1.008000 0.423800 7.6828E+00 5.6567E+00 6.2436E+00 O6 952 15.999400 -0.847600 4.9675E+00 1.2302E+01 -2.7486E+00 H1 953 1.008000 0.423800 4.8105E+00 1.2188E+01 -1.7676E+00 H2 954 1.008000 0.423800 4.5501E+00 1.3158E+01 -3.0556E+00 O6 955 15.999400 -0.847600 7.0285E+00 -9.4498E+00 -6.1400E+00 H1 956 1.008000 0.423800 6.0808E+00 -9.3725E+00 -5.8303E+00 H2 957 1.008000 0.423800 7.5523E+00 -9.9875E+00 -5.4792E+00 O6 958 15.999400 -0.847600 -1.6690E+01 -6.0915E+00 1.6565E+00 H1 959 1.008000 0.423800 -1.6091E+01 -6.5423E+00 2.3184E+00 H2 960 1.008000 0.423800 -1.7509E+01 -6.6477E+00 1.5154E+00 O6 961 15.999400 -0.847600 4.1083E+00 -1.6520E+01 -5.5680E+00 H1 962 1.008000 0.423800 3.7286E+00 -1.5774E+01 -5.0212E+00 H2 963 1.008000 0.423800 3.5559E+00 -1.7343E+01 -5.4375E+00 O6 964 15.999400 -0.847600 1.8828E+01 1.1453E+00 3.8930E+00 H1 965 1.008000 0.423800 1.8805E+01 9.6417E-01 4.8762E+00 H2 966 1.008000 0.423800 -1.9324E+01 1.2914E+00 3.6030E+00 O6 967 15.999400 -0.847600 -6.1270E+00 -6.5481E+00 1.1458E+01 H1 968 1.008000 0.423800 -5.3919E+00 -6.5366E+00 1.0780E+01 H2 969 1.008000 0.423800 -6.3110E+00 -7.4915E+00 1.1734E+01 O6 970 15.999400 -0.847600 1.7512E+01 2.3069E+00 7.3395E+00 H1 971 1.008000 0.423800 1.6996E+01 1.7446E+00 6.6933E+00 H2 972 1.008000 0.423800 1.8074E+01 2.9629E+00 6.8357E+00 O6 973 15.999400 -0.847600 -1.8809E+00 -7.2297E+00 1.4721E+01 H1 974 1.008000 0.423800 -1.7417E+00 -6.2889E+00 1.5030E+01 H2 975 1.008000 0.423800 -1.2423E+00 -7.4346E+00 1.3979E+01 O6 976 15.999400 -0.847600 9.5976E+00 -9.5440E+00 -1.5931E+01 H1 977 1.008000 0.423800 1.0439E+01 -9.0972E+00 -1.5628E+01 H2 978 1.008000 0.423800 9.8082E+00 -1.0466E+01 -1.6256E+01 O6 979 15.999400 -0.847600 7.6209E+00 -7.4804E+00 -1.0374E+01 H1 980 1.008000 0.423800 8.1559E+00 -8.2852E+00 -1.0631E+01 H2 981 1.008000 0.423800 7.4392E+00 -6.9272E+00 -1.1187E+01 O6 982 15.999400 -0.847600 -6.9889E+00 -2.6924E+00 1.4658E+01 H1 983 1.008000 0.423800 -6.3639E+00 -3.2186E+00 1.5235E+01 H2 984 1.008000 0.423800 -7.0706E+00 -3.1347E+00 1.3765E+01 O6 985 15.999400 -0.847600 6.9795E-02 -6.0639E+00 7.7960E+00 H1 986 1.008000 0.423800 -6.1746E-01 -6.7903E+00 7.7854E+00 H2 987 1.008000 0.423800 6.5096E-01 -6.1432E+00 6.9861E+00 O6 988 15.999400 -0.847600 8.6764E+00 6.1590E+00 1.2743E+01 H1 989 1.008000 0.423800 8.1181E+00 6.7033E+00 1.2117E+01 H2 990 1.008000 0.423800 9.3965E+00 5.6935E+00 1.2228E+01 O6 991 15.999400 -0.847600 -7.8303E+00 -5.3164E+00 -2.1635E+00 H1 992 1.008000 0.423800 -8.5258E+00 -5.2237E+00 -1.4509E+00 H2 993 1.008000 0.423800 -8.2564E+00 -5.2061E+00 -3.0614E+00 O6 994 15.999400 -0.847600 1.5533E+01 1.1756E+01 8.6335E+00 H1 995 1.008000 0.423800 1.5905E+01 1.0846E+01 8.4512E+00 H2 996 1.008000 0.423800 1.4779E+01 1.1683E+01 9.2858E+00 O6 997 15.999400 -0.847600 9.1012E+00 -1.2521E+01 8.1003E+00 H1 998 1.008000 0.423800 9.1378E+00 -1.3256E+01 7.4229E+00 H2 999 1.008000 0.423800 8.3623E+00 -1.2703E+01 8.7492E+00 O6 1000 15.999400 -0.847600 1.4351E+01 -1.0200E+01 -1.9061E+01 H1 1001 1.008000 0.423800 1.3662E+01 -1.0258E+01 1.9314E+01 H2 1002 1.008000 0.423800 1.3976E+01 -1.0572E+01 -1.8212E+01 O6 1003 15.999400 -0.847600 -1.0779E+01 -1.7343E+01 -3.3582E-01 H1 1004 1.008000 0.423800 -1.1733E+01 -1.7044E+01 -3.1166E-01 H2 1005 1.008000 0.423800 -1.0290E+01 -1.6961E+01 4.4835E-01 O6 1006 15.999400 -0.847600 3.2378E+00 -7.6853E+00 -1.7427E+00 H1 1007 1.008000 0.423800 2.2476E+00 -7.5459E+00 -1.7554E+00 H2 1008 1.008000 0.423800 3.5505E+00 -7.7685E+00 -7.9658E-01 O6 1009 15.999400 -0.847600 -4.0708E+00 1.4126E+01 -1.3885E+01 H1 1010 1.008000 0.423800 -4.3226E+00 1.4694E+01 -1.4669E+01 H2 1011 1.008000 0.423800 -3.7012E+00 1.3255E+01 -1.4209E+01 O6 1012 15.999400 -0.847600 9.3276E+00 4.0133E-01 7.0758E+00 H1 1013 1.008000 0.423800 9.9665E+00 1.1661E+00 6.9920E+00 H2 1014 1.008000 0.423800 9.3451E+00 -1.4116E-01 6.2359E+00 O6 1015 15.999400 -0.847600 -4.3060E+00 -1.6634E+01 -1.3500E+01 H1 1016 1.008000 0.423800 -5.0008E+00 -1.6205E+01 -1.2922E+01 H2 1017 1.008000 0.423800 -3.7726E+00 -1.5925E+01 -1.3961E+01 O6 1018 15.999400 -0.847600 1.3140E+01 -1.1272E+01 -4.5421E+00 H1 1019 1.008000 0.423800 1.2334E+01 -1.1245E+01 -3.9511E+00 H2 1020 1.008000 0.423800 1.3871E+01 -1.0724E+01 -4.1337E+00 O6 1021 15.999400 -0.847600 -1.7877E+01 1.3489E+01 -8.1332E+00 H1 1022 1.008000 0.423800 -1.8410E+01 1.3920E+01 -8.8612E+00 H2 1023 1.008000 0.423800 -1.8060E+01 1.3953E+01 -7.2665E+00 O6 1024 15.999400 -0.847600 -1.0631E+01 -8.7743E+00 -1.0911E+01 H1 1025 1.008000 0.423800 -1.1052E+01 -7.9249E+00 -1.0593E+01 H2 1026 1.008000 0.423800 -1.0800E+01 -8.8837E+00 -1.1890E+01 O6 1027 15.999400 -0.847600 1.8619E+01 4.3625E+00 -1.1161E+01 H1 1028 1.008000 0.423800 1.9431E+01 4.8904E+00 -1.1408E+01 H2 1029 1.008000 0.423800 1.8614E+01 4.1998E+00 -1.0174E+01 O6 1030 15.999400 -0.847600 -5.5122E+00 8.9445E+00 1.8446E+01 H1 1031 1.008000 0.423800 -6.2470E+00 9.4910E+00 1.8045E+01 H2 1032 1.008000 0.423800 -4.7224E+00 8.9456E+00 1.7833E+01 O6 1033 15.999400 -0.847600 -1.2533E+01 1.0516E+01 -3.1729E+00 H1 1034 1.008000 0.423800 -1.3159E+01 1.0874E+01 -3.8661E+00 H2 1035 1.008000 0.423800 -1.2583E+01 1.1087E+01 -2.3533E+00 O6 1036 15.999400 -0.847600 1.1536E+01 1.1202E+01 -1.6444E+01 H1 1037 1.008000 0.423800 1.1704E+01 1.1862E+01 -1.5711E+01 H2 1038 1.008000 0.423800 1.2273E+01 1.0527E+01 -1.6460E+01 O6 1039 15.999400 -0.847600 -1.8939E+01 1.3268E+01 -1.8595E+01 H1 1040 1.008000 0.423800 -1.8479E+01 1.2384E+01 -1.8679E+01 H2 1041 1.008000 0.423800 1.9508E+01 1.3233E+01 -1.7836E+01 O6 1042 15.999400 -0.847600 -6.6431E+00 1.7797E+00 -1.9788E+00 H1 1043 1.008000 0.423800 -7.2155E+00 1.2416E+00 -1.3599E+00 H2 1044 1.008000 0.423800 -6.8943E+00 2.7451E+00 -1.9102E+00 O6 1045 15.999400 -0.847600 -1.8318E+01 -6.8477E-02 -8.0249E+00 H1 1046 1.008000 0.423800 -1.8171E+01 -1.9504E-01 -7.0440E+00 H2 1047 1.008000 0.423800 -1.8004E+01 8.4176E-01 -8.2946E+00 O6 1048 15.999400 -0.847600 -6.9055E+00 -1.9139E+01 -4.4534E+00 H1 1049 1.008000 0.423800 -6.5470E+00 -1.9505E+01 -5.3123E+00 H2 1050 1.008000 0.423800 -7.8797E+00 -1.9353E+01 -4.3811E+00 O6 1051 15.999400 -0.847600 9.8176E+00 -1.4419E+00 -7.2252E+00 H1 1052 1.008000 0.423800 9.9036E+00 -1.0193E+00 -8.1274E+00 H2 1053 1.008000 0.423800 1.0437E+01 -9.8824E-01 -6.5843E+00 O6 1054 15.999400 -0.847600 -1.1520E+01 3.9713E+00 1.7731E+01 H1 1055 1.008000 0.423800 -1.2359E+01 3.8646E+00 1.7198E+01 H2 1056 1.008000 0.423800 -1.1498E+01 3.2864E+00 1.8460E+01 O6 1057 15.999400 -0.847600 4.5330E+00 -3.6640E+00 1.3640E+01 H1 1058 1.008000 0.423800 4.4778E+00 -4.4976E+00 1.3091E+01 H2 1059 1.008000 0.423800 4.4020E+00 -3.8917E+00 1.4605E+01 O6 1060 15.999400 -0.847600 2.3756E+00 1.1281E-01 3.5655E+00 H1 1061 1.008000 0.423800 2.6590E+00 2.0597E-01 2.6110E+00 H2 1062 1.008000 0.423800 2.7026E+00 8.9986E-01 4.0886E+00 O6 1063 15.999400 -0.847600 -1.7186E+01 1.9143E+01 -1.4470E+01 H1 1064 1.008000 0.423800 -1.7895E+01 1.8454E+01 -1.4621E+01 H2 1065 1.008000 0.423800 -1.6300E+01 1.8776E+01 -1.4751E+01 O6 1066 15.999400 -0.847600 -2.1805E+00 1.7805E+01 -7.2963E+00 H1 1067 1.008000 0.423800 -2.5637E+00 1.7545E+01 -8.1825E+00 H2 1068 1.008000 0.423800 -1.9607E+00 1.6981E+01 -6.7733E+00 O6 1069 15.999400 -0.847600 -1.5864E+01 1.5103E+01 1.3137E+01 H1 1070 1.008000 0.423800 -1.5928E+01 1.4657E+01 1.2244E+01 H2 1071 1.008000 0.423800 -1.6132E+01 1.6062E+01 1.3050E+01 O6 1072 15.999400 -0.847600 1.3357E+01 1.1803E+01 8.2546E-01 H1 1073 1.008000 0.423800 1.3830E+01 1.1088E+01 3.1039E-01 H2 1074 1.008000 0.423800 1.2935E+01 1.1404E+01 1.6397E+00 O6 1075 15.999400 -0.847600 -1.0114E+01 -1.0581E+00 -1.4051E+01 H1 1076 1.008000 0.423800 -9.1999E+00 -8.8726E-01 -1.4419E+01 H2 1077 1.008000 0.423800 -1.0516E+01 -1.8493E+00 -1.4511E+01 O6 1078 15.999400 -0.847600 1.7198E+01 -1.7790E+01 -9.2095E+00 H1 1079 1.008000 0.423800 1.6566E+01 -1.7158E+01 -8.7605E+00 H2 1080 1.008000 0.423800 1.6783E+01 -1.8699E+01 -9.2570E+00 O6 1081 15.999400 -0.847600 -1.5443E+01 1.3238E+01 1.0368E+01 H1 1082 1.008000 0.423800 -1.6201E+01 1.2976E+01 9.7699E+00 H2 1083 1.008000 0.423800 -1.4736E+01 1.3695E+01 9.8286E+00 O6 1084 15.999400 -0.847600 1.1204E+01 -1.9268E+01 3.8694E+00 H1 1085 1.008000 0.423800 1.1777E+01 -1.8692E+01 4.4522E+00 H2 1086 1.008000 0.423800 1.0627E+01 -1.8689E+01 3.2928E+00 O6 1087 15.999400 -0.847600 5.8006E+00 -1.0274E+01 1.7273E+01 H1 1088 1.008000 0.423800 6.1862E+00 -1.0982E+01 1.6681E+01 H2 1089 1.008000 0.423800 5.6101E+00 -1.0661E+01 1.8175E+01 O6 1090 15.999400 -0.847600 -1.3472E+01 1.2565E+01 -8.3973E+00 H1 1091 1.008000 0.423800 -1.4339E+01 1.2966E+01 -8.6906E+00 H2 1092 1.008000 0.423800 -1.2771E+01 1.2743E+01 -9.0885E+00 O6 1093 15.999400 -0.847600 -2.1546E-02 -1.8535E+01 4.0986E+00 H1 1094 1.008000 0.423800 4.3547E-01 -1.8137E+01 4.8942E+00 H2 1095 1.008000 0.423800 -9.8094E-01 -1.8253E+01 4.0899E+00 O6 1096 15.999400 -0.847600 1.8770E-01 -1.3659E+01 1.7622E+01 H1 1097 1.008000 0.423800 -1.6844E-01 -1.3174E+01 1.6823E+01 H2 1098 1.008000 0.423800 7.8830E-01 -1.4400E+01 1.7322E+01 O6 1099 15.999400 -0.847600 9.2601E+00 1.0755E+00 3.6314E+00 H1 1100 1.008000 0.423800 9.5823E+00 1.4130E-01 3.7851E+00 H2 1101 1.008000 0.423800 1.0045E+01 1.6799E+00 3.4929E+00 O6 1102 15.999400 -0.847600 -4.7698E+00 2.5686E+00 -1.0883E+01 H1 1103 1.008000 0.423800 -4.6325E+00 2.9626E+00 -1.1792E+01 H2 1104 1.008000 0.423800 -4.7392E+00 3.2952E+00 -1.0197E+01 O6 1105 15.999400 -0.847600 3.4218E-01 2.0149E+00 -4.9826E+00 H1 1106 1.008000 0.423800 3.5058E-01 3.0076E+00 -4.8620E+00 H2 1107 1.008000 0.423800 5.2627E-01 1.5711E+00 -4.1056E+00 O6 1108 15.999400 -0.847600 4.0381E+00 1.1593E+01 -1.6495E+01 H1 1109 1.008000 0.423800 4.5978E+00 1.2206E+01 -1.7052E+01 H2 1110 1.008000 0.423800 4.4904E+00 1.1434E+01 -1.5617E+01 O6 1111 15.999400 -0.847600 -7.8997E+00 -1.0639E+01 -2.2702E+00 H1 1112 1.008000 0.423800 -8.4723E+00 -1.0579E+01 -1.4525E+00 H2 1113 1.008000 0.423800 -8.3481E+00 -1.0163E+01 -3.0267E+00 O6 1114 15.999400 -0.847600 -8.6403E-01 1.1385E+01 -4.3673E+00 H1 1115 1.008000 0.423800 4.2559E-02 1.0995E+01 -4.5274E+00 H2 1116 1.008000 0.423800 -1.0423E+00 1.2102E+01 -5.0421E+00 O6 1117 15.999400 -0.847600 5.3906E-01 4.4567E+00 -3.6864E+00 H1 1118 1.008000 0.423800 7.5960E-01 5.1439E+00 -4.3786E+00 H2 1119 1.008000 0.423800 8.6698E-01 4.7658E+00 -2.7937E+00 O6 1120 15.999400 -0.847600 -1.1491E+01 1.0750E+01 1.9069E+01 H1 1121 1.008000 0.423800 -1.1191E+01 1.0379E+01 -1.9150E+01 H2 1122 1.008000 0.423800 -1.1411E+01 1.1747E+01 1.9083E+01 O6 1123 15.999400 -0.847600 1.9439E+01 -3.2445E-01 -1.6519E+01 H1 1124 1.008000 0.423800 1.8792E+01 -9.9354E-01 -1.6153E+01 H2 1125 1.008000 0.423800 -1.8890E+01 -2.2472E-01 -1.5887E+01 O6 1126 15.999400 -0.847600 1.9034E+01 1.0134E+01 1.7183E+01 H1 1127 1.008000 0.423800 1.8186E+01 9.6051E+00 1.7190E+01 H2 1128 1.008000 0.423800 -1.9433E+01 9.7610E+00 1.7864E+01 O6 1129 15.999400 -0.847600 -9.9504E+00 3.5118E+00 2.4438E+00 H1 1130 1.008000 0.423800 -1.0538E+01 4.2113E+00 2.0376E+00 H2 1131 1.008000 0.423800 -9.0441E+00 3.5529E+00 2.0231E+00 O6 1132 15.999400 -0.847600 1.1901E+00 -1.4071E+01 8.3463E+00 H1 1133 1.008000 0.423800 1.6582E+00 -1.3645E+01 9.1207E+00 H2 1134 1.008000 0.423800 1.1186E+00 -1.5056E+01 8.5010E+00 O6 1135 15.999400 -0.847600 9.9971E+00 5.8922E+00 -1.6050E+01 H1 1136 1.008000 0.423800 1.0245E+01 6.8610E+00 -1.6050E+01 H2 1137 1.008000 0.423800 1.0430E+01 5.4370E+00 -1.5272E+01 O6 1138 15.999400 -0.847600 6.1765E+00 -1.3487E+01 -1.6421E+01 H1 1139 1.008000 0.423800 5.3397E+00 -1.3684E+01 -1.6932E+01 H2 1140 1.008000 0.423800 6.2303E+00 -1.2506E+01 -1.6234E+01 O6 1141 15.999400 -0.847600 1.4841E+01 1.0172E+01 -1.6898E+01 H1 1142 1.008000 0.423800 1.5454E+01 1.0881E+01 -1.6550E+01 H2 1143 1.008000 0.423800 1.4828E+01 1.0202E+01 -1.7897E+01 O6 1144 15.999400 -0.847600 -7.1836E-01 -1.1880E+00 -4.5714E+00 H1 1145 1.008000 0.423800 -1.1265E+00 -1.9968E+00 -4.9949E+00 H2 1146 1.008000 0.423800 -8.6755E-01 -3.9288E-01 -5.1591E+00 O6 1147 15.999400 -0.847600 1.8967E+01 -1.5643E+00 -9.5592E+00 H1 1148 1.008000 0.423800 -1.9402E+01 -1.0834E+00 -9.0710E+00 H2 1149 1.008000 0.423800 1.9224E+01 -2.5234E+00 -9.6795E+00 O6 1150 15.999400 -0.847600 -5.0110E+00 -1.6996E+01 1.6496E+01 H1 1151 1.008000 0.423800 -5.5652E+00 -1.7272E+01 1.7282E+01 H2 1152 1.008000 0.423800 -5.3149E+00 -1.7492E+01 1.5683E+01 O6 1153 15.999400 -0.847600 -1.8206E+01 -1.3223E+01 7.4634E+00 H1 1154 1.008000 0.423800 -1.8361E+01 -1.2771E+01 6.5850E+00 H2 1155 1.008000 0.423800 -1.7502E+01 -1.2729E+01 7.9733E+00 O6 1156 15.999400 -0.847600 7.4037E+00 1.3864E+01 6.4011E+00 H1 1157 1.008000 0.423800 8.1601E+00 1.4043E+01 7.0303E+00 H2 1158 1.008000 0.423800 7.1567E+00 1.2896E+01 6.4434E+00 O6 1159 15.999400 -0.847600 -6.7588E+00 9.3301E+00 -1.3874E+01 H1 1160 1.008000 0.423800 -5.9985E+00 9.1005E+00 -1.4482E+01 H2 1161 1.008000 0.423800 -7.5948E+00 9.4373E+00 -1.4412E+01 O6 1162 15.999400 -0.847600 7.2129E-01 -1.9015E+01 -9.8195E+00 H1 1163 1.008000 0.423800 5.8011E-01 -1.8042E+01 -9.6404E+00 H2 1164 1.008000 0.423800 -1.0303E-01 -1.9401E+01 -1.0234E+01 O6 1165 15.999400 -0.847600 1.3580E+01 -7.2142E+00 -1.0181E+01 H1 1166 1.008000 0.423800 1.3299E+01 -6.9601E+00 -1.1106E+01 H2 1167 1.008000 0.423800 1.4568E+01 -7.0897E+00 -1.0087E+01 O6 1168 15.999400 -0.847600 -1.1714E+01 1.0664E+01 9.6432E+00 H1 1169 1.008000 0.423800 -1.0861E+01 1.0726E+01 1.0161E+01 H2 1170 1.008000 0.423800 -1.2212E+01 1.1528E+01 9.7163E+00 O6 1171 15.999400 -0.847600 1.1109E+01 -1.5597E+01 6.0692E+00 H1 1172 1.008000 0.423800 1.0727E+01 -1.6237E+01 6.7369E+00 H2 1173 1.008000 0.423800 1.1847E+01 -1.6044E+01 5.5643E+00 O6 1174 15.999400 -0.847600 1.3323E+01 1.0572E+00 -1.6121E+01 H1 1175 1.008000 0.423800 1.4248E+01 6.8129E-01 -1.6066E+01 H2 1176 1.008000 0.423800 1.2823E+01 6.0504E-01 -1.6859E+01 O6 1177 15.999400 -0.847600 1.8214E+01 -7.0807E+00 7.8809E+00 H1 1178 1.008000 0.423800 1.8268E+01 -6.6598E+00 8.7864E+00 H2 1179 1.008000 0.423800 1.8506E+01 -6.4210E+00 7.1885E+00 O6 1180 15.999400 -0.847600 5.8637E-01 5.4581E+00 -1.0562E+01 H1 1181 1.008000 0.423800 7.2207E-01 5.0578E+00 -9.6560E+00 H2 1182 1.008000 0.423800 -3.7996E-01 5.6839E+00 -1.0686E+01 O6 1183 15.999400 -0.847600 1.8061E+01 -4.3121E+00 6.0601E-01 H1 1184 1.008000 0.423800 1.8483E+01 -5.1301E+00 2.1440E-01 H2 1185 1.008000 0.423800 1.8235E+01 -3.5292E+00 8.4724E-03 O6 1186 15.999400 -0.847600 -4.7870E+00 -4.2297E+00 -4.7138E+00 H1 1187 1.008000 0.423800 -4.7062E+00 -4.0599E+00 -5.6960E+00 H2 1188 1.008000 0.423800 -3.8753E+00 -4.2546E+00 -4.3037E+00 O6 1189 15.999400 -0.847600 1.2423E+01 -1.0046E+01 -6.9392E+00 H1 1190 1.008000 0.423800 1.2779E+01 -1.0361E+01 -6.0592E+00 H2 1191 1.008000 0.423800 1.1529E+01 -9.6197E+00 -6.8037E+00 O6 1192 15.999400 -0.847600 2.3164E-01 1.7209E+01 3.3277E-01 H1 1193 1.008000 0.423800 -5.6122E-02 1.7686E+01 1.1629E+00 H2 1194 1.008000 0.423800 -5.2607E-01 1.7188E+01 -3.1947E-01 O6 1195 15.999400 -0.847600 -1.6807E+01 -1.2271E+01 1.1614E+01 H1 1196 1.008000 0.423800 -1.7493E+01 -1.2998E+01 1.1653E+01 H2 1197 1.008000 0.423800 -1.7188E+01 -1.1431E+01 1.2000E+01 O6 1198 15.999400 -0.847600 2.1896E+00 -1.2520E+01 -1.6541E+01 H1 1199 1.008000 0.423800 1.2856E+00 -1.2120E+01 -1.6693E+01 H2 1200 1.008000 0.423800 2.7838E+00 -1.1844E+01 -1.6105E+01 O6 1201 15.999400 -0.847600 1.0881E+01 -1.7301E+01 -6.2162E+00 H1 1202 1.008000 0.423800 1.0408E+01 -1.6623E+01 -5.6535E+00 H2 1203 1.008000 0.423800 1.0271E+01 -1.8074E+01 -6.3891E+00 O6 1204 15.999400 -0.847600 -1.6638E+01 5.5777E+00 6.9054E+00 H1 1205 1.008000 0.423800 -1.6890E+01 6.0875E+00 7.7279E+00 H2 1206 1.008000 0.423800 -1.5831E+01 5.9965E+00 6.4881E+00 O6 1207 15.999400 -0.847600 -3.8658E+00 2.0066E+00 -8.9075E-01 H1 1208 1.008000 0.423800 -3.4356E+00 1.7256E+00 -1.7486E+00 H2 1209 1.008000 0.423800 -4.2211E+00 2.9366E+00 -9.8514E-01 O6 1210 15.999400 -0.847600 1.0817E+01 4.8399E+00 1.1680E+01 H1 1211 1.008000 0.423800 1.1012E+01 4.0873E+00 1.1051E+01 H2 1212 1.008000 0.423800 1.1614E+01 5.4415E+00 1.1737E+01 O6 1213 15.999400 -0.847600 1.2933E+01 1.4486E+01 -1.5967E+01 H1 1214 1.008000 0.423800 1.3662E+01 1.4877E+01 -1.5404E+01 H2 1215 1.008000 0.423800 1.2407E+01 1.3832E+01 -1.5423E+01 O6 1216 15.999400 -0.847600 4.8080E+00 5.0738E+00 -1.4089E+01 H1 1217 1.008000 0.423800 4.9249E+00 5.0534E+00 -1.5082E+01 H2 1218 1.008000 0.423800 4.0962E+00 5.7346E+00 -1.3851E+01 O6 1219 15.999400 -0.847600 9.2404E+00 1.5855E+01 -1.5570E+01 H1 1220 1.008000 0.423800 1.0015E+01 1.6168E+01 -1.6120E+01 H2 1221 1.008000 0.423800 9.3888E+00 1.6106E+01 -1.4613E+01 O6 1222 15.999400 -0.847600 1.5625E+01 1.3738E+01 3.4587E+00 H1 1223 1.008000 0.423800 1.5602E+01 1.2752E+01 3.2979E+00 H2 1224 1.008000 0.423800 1.5068E+01 1.4201E+01 2.7687E+00 O6 1225 15.999400 -0.847600 4.6397E+00 -1.2613E+00 8.7782E+00 H1 1226 1.008000 0.423800 4.4039E+00 -2.0649E+00 8.2317E+00 H2 1227 1.008000 0.423800 5.6345E+00 -1.1752E+00 8.8322E+00 O6 1228 15.999400 -0.847600 -1.1179E+00 -9.6975E+00 -1.8974E+01 H1 1229 1.008000 0.423800 -3.3390E-01 -9.0907E+00 -1.9106E+01 H2 1230 1.008000 0.423800 -8.5839E-01 -1.0452E+01 -1.8371E+01 O6 1231 15.999400 -0.847600 4.0364E+00 1.2078E+01 4.7531E+00 H1 1232 1.008000 0.423800 3.5839E+00 1.2970E+01 4.7349E+00 H2 1233 1.008000 0.423800 4.9161E+00 1.2160E+01 5.2215E+00 O6 1234 15.999400 -0.847600 3.3254E+00 1.4226E+01 -1.3812E+01 H1 1235 1.008000 0.423800 3.6054E+00 1.4830E+01 -1.3067E+01 H2 1236 1.008000 0.423800 3.3019E+00 1.4741E+01 -1.4669E+01 O6 1237 15.999400 -0.847600 -1.8258E+01 1.6337E+01 -1.4101E+01 H1 1238 1.008000 0.423800 -1.7887E+01 1.5882E+01 -1.4911E+01 H2 1239 1.008000 0.423800 -1.9193E+01 1.6021E+01 -1.3940E+01 O6 1240 15.999400 -0.847600 -1.1060E+01 -5.5810E-01 4.1989E+00 H1 1241 1.008000 0.423800 -1.1277E+01 -6.9225E-01 5.1660E+00 H2 1242 1.008000 0.423800 -1.1864E+01 -1.9913E-01 3.7241E+00 O6 1243 15.999400 -0.847600 9.1833E+00 -1.7245E+01 3.0684E+00 H1 1244 1.008000 0.423800 8.7515E+00 -1.6399E+01 3.3808E+00 H2 1245 1.008000 0.423800 8.4775E+00 -1.7896E+01 2.7887E+00 O6 1246 15.999400 -0.847600 1.1869E+01 1.2675E+01 -1.4374E+01 H1 1247 1.008000 0.423800 1.2206E+01 1.1915E+01 -1.3819E+01 H2 1248 1.008000 0.423800 1.0874E+01 1.2730E+01 -1.4295E+01 O6 1249 15.999400 -0.847600 -3.9381E+00 -2.4608E+00 7.9786E+00 H1 1250 1.008000 0.423800 -3.7106E+00 -1.6145E+00 7.4969E+00 H2 1251 1.008000 0.423800 -3.8416E+00 -2.3196E+00 8.9639E+00 O6 1252 15.999400 -0.847600 -1.7529E+00 1.6039E+01 1.9536E+01 H1 1253 1.008000 0.423800 -2.5974E+00 1.6111E+01 -1.9031E+01 H2 1254 1.008000 0.423800 -1.0986E+00 1.5464E+01 -1.9070E+01 O6 1255 15.999400 -0.847600 -7.7263E+00 3.0035E+00 9.1357E-01 H1 1256 1.008000 0.423800 -8.3223E+00 2.3322E+00 4.7303E-01 H2 1257 1.008000 0.423800 -7.2375E+00 2.5694E+00 1.6703E+00 O6 1258 15.999400 -0.847600 -2.6157E+00 -8.8790E+00 4.1952E+00 H1 1259 1.008000 0.423800 -3.6144E+00 -8.8379E+00 4.2276E+00 H2 1260 1.008000 0.423800 -2.2626E+00 -9.1182E+00 5.0997E+00 O6 1261 15.999400 -0.847600 -1.7383E+01 -4.2886E-01 1.6633E+01 H1 1262 1.008000 0.423800 -1.7750E+01 -9.7057E-01 1.7389E+01 H2 1263 1.008000 0.423800 -1.8134E+01 -1.1337E-01 1.6054E+01 O6 1264 15.999400 -0.847600 1.6532E+01 6.2203E+00 -1.0902E+01 H1 1265 1.008000 0.423800 1.7280E+01 5.5639E+00 -1.1001E+01 H2 1266 1.008000 0.423800 1.5876E+01 6.0915E+00 -1.1646E+01 O6 1267 15.999400 -0.847600 1.7987E+01 -1.6446E+01 -1.2443E+01 H1 1268 1.008000 0.423800 1.7212E+01 -1.5830E+01 -1.2586E+01 H2 1269 1.008000 0.423800 1.8130E+01 -1.6578E+01 -1.1462E+01 O6 1270 15.999400 -0.847600 -1.4657E+01 -1.8863E+01 1.6767E+01 H1 1271 1.008000 0.423800 -1.4146E+01 -1.9292E+01 1.6022E+01 H2 1272 1.008000 0.423800 -1.5637E+01 -1.8933E+01 1.6583E+01 O6 1273 15.999400 -0.847600 -1.7991E+01 1.5697E+01 1.8979E+01 H1 1274 1.008000 0.423800 -1.8504E+01 1.4939E+01 1.9381E+01 H2 1275 1.008000 0.423800 -1.7018E+01 1.5467E+01 1.8958E+01 O6 1276 15.999400 -0.847600 -1.5561E+01 -6.9199E+00 1.7415E+01 H1 1277 1.008000 0.423800 -1.6392E+01 -7.2984E+00 1.7007E+01 H2 1278 1.008000 0.423800 -1.5054E+01 -6.4061E+00 1.6723E+01 O6 1279 15.999400 -0.847600 -1.5420E+01 5.1388E+00 -4.6995E+00 H1 1280 1.008000 0.423800 -1.5583E+01 6.0759E+00 -4.3911E+00 H2 1281 1.008000 0.423800 -1.5150E+01 5.1472E+00 -5.6624E+00 O6 1282 15.999400 -0.847600 -1.3872E+01 -1.9208E+01 -1.5277E+01 H1 1283 1.008000 0.423800 -1.4347E+01 1.9023E+01 -1.5121E+01 H2 1284 1.008000 0.423800 -1.4093E+01 -1.8570E+01 -1.4540E+01 O6 1285 15.999400 -0.847600 -5.7746E+00 -1.2492E+01 -1.4373E+01 H1 1286 1.008000 0.423800 -4.7830E+00 -1.2378E+01 -1.4311E+01 H2 1287 1.008000 0.423800 -5.9834E+00 -1.3376E+01 -1.4790E+01 O6 1288 15.999400 -0.847600 -1.6625E+01 -5.3512E+00 -4.2947E+00 H1 1289 1.008000 0.423800 -1.5954E+01 -5.5318E+00 -5.0141E+00 H2 1290 1.008000 0.423800 -1.7319E+01 -4.7178E+00 -4.6372E+00 O6 1291 15.999400 -0.847600 5.3149E+00 -1.0975E+01 -1.0324E+01 H1 1292 1.008000 0.423800 6.1108E+00 -1.1448E+01 -9.9455E+00 H2 1293 1.008000 0.423800 5.2171E+00 -1.0083E+01 -9.8829E+00 O6 1294 15.999400 -0.847600 3.3861E+00 1.7457E+01 -1.4224E+01 H1 1295 1.008000 0.423800 3.5820E+00 1.6964E+01 -1.5072E+01 H2 1296 1.008000 0.423800 4.1959E+00 1.7972E+01 -1.3943E+01 O6 1297 15.999400 -0.847600 -2.8401E+00 1.4915E+01 8.0047E+00 H1 1298 1.008000 0.423800 -2.4813E+00 1.5691E+01 7.4857E+00 H2 1299 1.008000 0.423800 -2.4508E+00 1.4066E+01 7.6470E+00 O6 1300 15.999400 -0.847600 -5.0420E+00 1.0163E+01 -2.5491E+00 H1 1301 1.008000 0.423800 -4.2284E+00 1.0744E+01 -2.5637E+00 H2 1302 1.008000 0.423800 -4.8882E+00 9.3600E+00 -3.1247E+00 O6 1303 15.999400 -0.847600 8.0055E+00 -3.0134E+00 1.3948E+01 H1 1304 1.008000 0.423800 8.3457E+00 -2.8620E+00 1.4876E+01 H2 1305 1.008000 0.423800 7.3481E+00 -3.7670E+00 1.3953E+01 O6 1306 15.999400 -0.847600 8.1189E+00 -1.6578E+01 1.7371E+01 H1 1307 1.008000 0.423800 8.3306E+00 -1.7110E+01 1.8191E+01 H2 1308 1.008000 0.423800 8.9651E+00 -1.6373E+01 1.6879E+01 O6 1309 15.999400 -0.847600 2.2112E+00 3.1328E+00 -1.6359E+01 H1 1310 1.008000 0.423800 1.4953E+00 2.9528E+00 -1.5685E+01 H2 1311 1.008000 0.423800 3.1079E+00 3.0389E+00 -1.5927E+01 O6 1312 15.999400 -0.847600 -4.1593E+00 -5.5380E+00 1.3931E+01 H1 1313 1.008000 0.423800 -4.6002E+00 -5.6297E+00 1.4824E+01 H2 1314 1.008000 0.423800 -3.5643E+00 -6.3255E+00 1.3771E+01 O6 1315 15.999400 -0.847600 -1.8809E+01 -1.8446E+01 1.8942E+00 H1 1316 1.008000 0.423800 -1.8698E+01 -1.9229E+01 1.2816E+00 H2 1317 1.008000 0.423800 -1.8592E+01 -1.7604E+01 1.4011E+00 O6 1318 15.999400 -0.847600 -1.6513E+01 1.2938E+01 -4.6475E-01 H1 1319 1.008000 0.423800 -1.5617E+01 1.2553E+01 -6.8715E-01 H2 1320 1.008000 0.423800 -1.6491E+01 1.3320E+01 4.5926E-01 O6 1321 15.999400 -0.847600 -1.1682E+01 3.3012E+00 -1.6779E+01 H1 1322 1.008000 0.423800 -1.1613E+01 4.1985E+00 -1.6342E+01 H2 1323 1.008000 0.423800 -1.0907E+01 2.7343E+00 -1.6498E+01 O6 1324 15.999400 -0.847600 -9.2879E+00 1.4073E+00 -1.1793E-01 H1 1325 1.008000 0.423800 -9.6234E+00 1.3560E+00 -1.0586E+00 H2 1326 1.008000 0.423800 -9.8564E+00 8.3223E-01 4.7039E-01 O6 1327 15.999400 -0.847600 -6.3339E+00 -3.7939E+00 1.2077E+01 H1 1328 1.008000 0.423800 -6.4639E+00 -4.7678E+00 1.1890E+01 H2 1329 1.008000 0.423800 -5.3667E+00 -3.6154E+00 1.2258E+01 O6 1330 15.999400 -0.847600 1.5444E+01 -1.2634E+01 1.8839E+01 H1 1331 1.008000 0.423800 1.5000E+01 -1.1827E+01 1.9229E+01 H2 1332 1.008000 0.423800 1.6352E+01 -1.2386E+01 1.8502E+01 O6 1333 15.999400 -0.847600 -8.5175E+00 1.4028E+01 -1.6868E+01 H1 1334 1.008000 0.423800 -8.3700E+00 1.4941E+01 -1.6488E+01 H2 1335 1.008000 0.423800 -8.7194E+00 1.3387E+01 -1.6127E+01 O6 1336 15.999400 -0.847600 -9.7557E+00 1.4999E+01 -1.1283E+01 H1 1337 1.008000 0.423800 -8.9514E+00 1.5589E+01 -1.1211E+01 H2 1338 1.008000 0.423800 -9.4640E+00 1.4055E+01 -1.1440E+01 O6 1339 15.999400 -0.847600 1.3167E+01 -1.8208E+01 7.4806E+00 H1 1340 1.008000 0.423800 1.2425E+01 -1.8702E+01 7.9340E+00 H2 1341 1.008000 0.423800 1.3245E+01 -1.8520E+01 6.5338E+00 O6 1342 15.999400 -0.847600 -7.7207E+00 4.8469E+00 1.9205E+01 H1 1343 1.008000 0.423800 -8.5417E+00 5.2692E+00 1.8821E+01 H2 1344 1.008000 0.423800 -7.0312E+00 4.7453E+00 1.8488E+01 O6 1345 15.999400 -0.847600 1.1008E+01 -1.7056E+01 -1.7723E+01 H1 1346 1.008000 0.423800 1.1678E+01 -1.7460E+01 -1.8345E+01 H2 1347 1.008000 0.423800 1.1442E+01 -1.6868E+01 -1.6842E+01 O6 1348 15.999400 -0.847600 9.7927E+00 -2.3131E+00 -1.1367E+01 H1 1349 1.008000 0.423800 8.9689E+00 -1.7501E+00 -1.1433E+01 H2 1350 1.008000 0.423800 1.0361E+01 -1.9853E+00 -1.0612E+01 O6 1351 15.999400 -0.847600 1.2755E+01 1.2234E+00 1.6174E+01 H1 1352 1.008000 0.423800 1.2087E+01 1.9364E+00 1.5962E+01 H2 1353 1.008000 0.423800 1.2282E+01 3.5215E-01 1.6306E+01 O6 1354 15.999400 -0.847600 -2.2090E-01 3.9221E+00 1.5391E+01 H1 1355 1.008000 0.423800 2.7999E-01 4.7810E+00 1.5285E+01 H2 1356 1.008000 0.423800 -1.1870E+00 4.0713E+00 1.5181E+01 O6 1357 15.999400 -0.847600 9.1452E+00 1.1846E+01 1.3478E+01 H1 1358 1.008000 0.423800 9.9436E+00 1.2395E+01 1.3726E+01 H2 1359 1.008000 0.423800 8.3912E+00 1.2055E+01 1.4101E+01 O6 1360 15.999400 -0.847600 -9.4670E+00 -2.5822E+00 -9.8997E-01 H1 1361 1.008000 0.423800 -9.8434E+00 -3.4332E+00 -6.2358E-01 H2 1362 1.008000 0.423800 -8.9564E+00 -2.1077E+00 -2.7294E-01 O6 1363 15.999400 -0.847600 -9.6539E-02 7.4750E+00 2.1244E+00 H1 1364 1.008000 0.423800 -8.8266E-01 6.9545E+00 2.4577E+00 H2 1365 1.008000 0.423800 6.4022E-01 6.8452E+00 1.8786E+00 O6 1366 15.999400 -0.847600 2.6325E+00 1.1821E+01 1.8371E+01 H1 1367 1.008000 0.423800 2.0319E+00 1.1668E+01 1.9156E+01 H2 1368 1.008000 0.423800 3.5845E+00 1.1697E+01 1.8651E+01 O6 1369 15.999400 -0.847600 -5.9373E+00 4.1139E-01 2.9019E-01 H1 1370 1.008000 0.423800 -5.3900E+00 9.3502E-01 -3.6281E-01 H2 1371 1.008000 0.423800 -6.0134E+00 9.2231E-01 1.1464E+00 O6 1372 15.999400 -0.847600 4.2563E+00 -1.4315E+01 8.5559E+00 H1 1373 1.008000 0.423800 4.0239E+00 -1.4212E+01 7.5888E+00 H2 1374 1.008000 0.423800 3.6898E+00 -1.3699E+01 9.1024E+00 O6 1375 15.999400 -0.847600 1.7478E+01 -1.9476E+01 1.4165E+01 H1 1376 1.008000 0.423800 1.7980E+01 1.9453E+01 1.3316E+01 H2 1377 1.008000 0.423800 1.6687E+01 1.9012E+01 1.4211E+01 O6 1378 15.999400 -0.847600 1.5468E+01 4.3436E+00 -1.8380E+01 H1 1379 1.008000 0.423800 1.4549E+01 4.1243E+00 -1.8052E+01 H2 1380 1.008000 0.423800 1.5732E+01 5.2499E+00 -1.8050E+01 O6 1381 15.999400 -0.847600 1.6441E+01 6.3063E+00 -8.2739E+00 H1 1382 1.008000 0.423800 1.7200E+01 6.6385E+00 -7.7134E+00 H2 1383 1.008000 0.423800 1.6555E+01 6.6291E+00 -9.2136E+00 O6 1384 15.999400 -0.847600 1.4317E+01 1.0178E+00 1.8406E+01 H1 1385 1.008000 0.423800 1.3974E+01 1.7525E+00 1.8992E+01 H2 1386 1.008000 0.423800 1.4036E+01 1.1861E+00 1.7461E+01 O6 1387 15.999400 -0.847600 -2.8150E+00 1.1761E+01 -2.4019E+00 H1 1388 1.008000 0.423800 -2.3341E+00 1.1523E+01 -1.5583E+00 H2 1389 1.008000 0.423800 -2.1601E+00 1.1813E+01 -3.1559E+00 O6 1390 15.999400 -0.847600 -3.4404E+00 -6.5634E+00 9.3118E+00 H1 1391 1.008000 0.423800 -4.4341E+00 -6.4513E+00 9.3080E+00 H2 1392 1.008000 0.423800 -3.1721E+00 -7.1829E+00 8.5741E+00 O6 1393 15.999400 -0.847600 1.7168E+01 1.3305E+01 -3.8032E+00 H1 1394 1.008000 0.423800 1.7731E+01 1.4132E+01 -3.8248E+00 H2 1395 1.008000 0.423800 1.6506E+01 1.3333E+01 -4.5522E+00 O6 1396 15.999400 -0.847600 -9.4699E+00 -1.6347E+01 7.6987E+00 H1 1397 1.008000 0.423800 -9.6964E+00 -1.5709E+01 6.9627E+00 H2 1398 1.008000 0.423800 -8.4761E+00 -1.6413E+01 7.7884E+00 O6 1399 15.999400 -0.847600 4.9044E+00 1.5972E+01 -3.1098E+00 H1 1400 1.008000 0.423800 5.8431E+00 1.5688E+01 -3.3047E+00 H2 1401 1.008000 0.423800 4.2712E+00 1.5436E+01 -3.6681E+00 O6 1402 15.999400 -0.847600 -2.7387E+00 6.0115E+00 -7.1328E+00 H1 1403 1.008000 0.423800 -2.6004E+00 5.9535E+00 -8.1215E+00 H2 1404 1.008000 0.423800 -3.7075E+00 5.8789E+00 -6.9234E+00 O6 1405 15.999400 -0.847600 1.7996E+01 1.0799E+01 -3.1622E+00 H1 1406 1.008000 0.423800 1.7607E+01 1.1667E+01 -3.4717E+00 H2 1407 1.008000 0.423800 1.8991E+01 1.0825E+01 -3.2632E+00 O6 1408 15.999400 -0.847600 -7.3368E+00 -1.6109E+01 3.9892E+00 H1 1409 1.008000 0.423800 -7.1153E+00 -1.6999E+01 4.3882E+00 H2 1410 1.008000 0.423800 -6.6194E+00 -1.5452E+01 4.2206E+00 O6 1411 15.999400 -0.847600 -4.9705E+00 1.2905E+01 -1.1874E+00 H1 1412 1.008000 0.423800 -4.2286E+00 1.2407E+01 -1.6367E+00 H2 1413 1.008000 0.423800 -4.5879E+00 1.3644E+01 -6.3301E-01 O6 1414 15.999400 -0.847600 1.3213E+01 -1.0309E+01 -1.3776E+01 H1 1415 1.008000 0.423800 1.2422E+01 -9.9325E+00 -1.3293E+01 H2 1416 1.008000 0.423800 1.3766E+01 -1.0848E+01 -1.3141E+01 O6 1417 15.999400 -0.847600 1.6601E+01 -1.0354E+01 -1.4861E+00 H1 1418 1.008000 0.423800 1.6986E+01 -1.1229E+01 -1.1915E+00 H2 1419 1.008000 0.423800 1.6381E+01 -9.7997E+00 -6.8360E-01 O6 1420 15.999400 -0.847600 1.4899E+01 1.6102E+01 1.7143E+01 H1 1421 1.008000 0.423800 1.5335E+01 1.5660E+01 1.7927E+01 H2 1422 1.008000 0.423800 1.5167E+01 1.7065E+01 1.7112E+01 O6 1423 15.999400 -0.847600 8.6515E+00 1.3781E+01 1.5293E+00 H1 1424 1.008000 0.423800 8.3786E+00 1.2847E+01 1.7625E+00 H2 1425 1.008000 0.423800 9.4450E+00 1.3754E+01 9.2131E-01 O6 1426 15.999400 -0.847600 -5.3361E+00 -4.5938E+00 -1.1927E+00 H1 1427 1.008000 0.423800 -6.2367E+00 -4.8589E+00 -1.5372E+00 H2 1428 1.008000 0.423800 -5.2855E+00 -3.5974E+00 -1.1243E+00 O6 1429 15.999400 -0.847600 7.2599E+00 1.9410E+01 1.6290E+01 H1 1430 1.008000 0.423800 7.0016E+00 -1.8735E+01 1.6133E+01 H2 1431 1.008000 0.423800 6.4603E+00 1.8823E+01 1.6164E+01 O6 1432 15.999400 -0.847600 -6.3075E+00 4.0483E+00 -1.7253E+01 H1 1433 1.008000 0.423800 -6.9013E+00 4.2583E+00 -1.8030E+01 H2 1434 1.008000 0.423800 -6.4500E+00 4.7262E+00 -1.6532E+01 O6 1435 15.999400 -0.847600 -1.1859E+01 -3.4612E+00 1.9524E+01 H1 1436 1.008000 0.423800 -1.2591E+01 -2.9044E+00 1.9130E+01 H2 1437 1.008000 0.423800 -1.1226E+01 -2.8727E+00 -1.9071E+01 O6 1438 15.999400 -0.847600 -1.0055E+01 8.3661E+00 -1.2841E+01 H1 1439 1.008000 0.423800 -9.9766E+00 7.4379E+00 -1.2477E+01 H2 1440 1.008000 0.423800 -1.0602E+01 8.9238E+00 -1.2217E+01 O6 1441 15.999400 -0.847600 -2.8446E+00 6.1649E+00 2.7402E+00 H1 1442 1.008000 0.423800 -2.8350E+00 6.0303E+00 1.7493E+00 H2 1443 1.008000 0.423800 -3.5850E+00 6.7913E+00 2.9842E+00 O6 1444 15.999400 -0.847600 1.0722E+01 7.4624E+00 -3.7676E+00 H1 1445 1.008000 0.423800 1.0819E+01 8.3377E+00 -3.2937E+00 H2 1446 1.008000 0.423800 1.0132E+01 7.5793E+00 -4.5667E+00 O6 1447 15.999400 -0.847600 3.9756E+00 -1.4285E+01 -1.7999E+01 H1 1448 1.008000 0.423800 3.3367E+00 -1.3658E+01 -1.7554E+01 H2 1449 1.008000 0.423800 3.6775E+00 -1.5228E+01 -1.7846E+01 O6 1450 15.999400 -0.847600 1.6614E+01 -1.2701E+01 -4.8142E+00 H1 1451 1.008000 0.423800 1.5975E+01 -1.1941E+01 -4.9356E+00 H2 1452 1.008000 0.423800 1.7552E+01 -1.2361E+01 -4.8730E+00 O6 1453 15.999400 -0.847600 7.7373E+00 5.9766E+00 -1.7591E+01 H1 1454 1.008000 0.423800 8.6200E+00 6.1400E+00 -1.7150E+01 H2 1455 1.008000 0.423800 7.7265E+00 6.4171E+00 -1.8488E+01 O6 1456 15.999400 -0.847600 1.0327E+01 -6.2548E+00 -3.1044E+00 H1 1457 1.008000 0.423800 9.7424E+00 -5.9924E+00 -3.8722E+00 H2 1458 1.008000 0.423800 9.7730E+00 -6.7002E+00 -2.4010E+00 O6 1459 15.999400 -0.847600 -1.7521E+01 -1.7251E+01 -1.1417E+01 H1 1460 1.008000 0.423800 -1.7209E+01 -1.8195E+01 -1.1309E+01 H2 1461 1.008000 0.423800 -1.8403E+01 -1.7138E+01 -1.0959E+01 O6 1462 15.999400 -0.847600 1.6921E+01 -1.5493E+01 1.2706E+01 H1 1463 1.008000 0.423800 1.6417E+01 -1.4919E+01 1.2060E+01 H2 1464 1.008000 0.423800 1.7524E+01 -1.4920E+01 1.3261E+01 O6 1465 15.999400 -0.847600 1.5590E+01 6.2189E+00 -4.7843E+00 H1 1466 1.008000 0.423800 1.5397E+01 7.1480E+00 -5.1000E+00 H2 1467 1.008000 0.423800 1.5379E+01 5.5684E+00 -5.5137E+00 O6 1468 15.999400 -0.847600 1.0159E+01 -4.3765E+00 1.2768E+01 H1 1469 1.008000 0.423800 9.7082E+00 -4.6471E+00 1.1918E+01 H2 1470 1.008000 0.423800 9.6053E+00 -3.6870E+00 1.3235E+01 O6 1471 15.999400 -0.847600 1.4532E+01 1.1313E+01 1.6532E+01 H1 1472 1.008000 0.423800 1.4807E+01 1.1364E+01 1.7492E+01 H2 1473 1.008000 0.423800 1.5198E+01 1.1799E+01 1.5967E+01 O6 1474 15.999400 -0.847600 1.8667E+01 -1.7500E+01 -1.6798E+01 H1 1475 1.008000 0.423800 1.9047E+01 -1.6926E+01 -1.6073E+01 H2 1476 1.008000 0.423800 1.7674E+01 -1.7385E+01 -1.6828E+01 O6 1477 15.999400 -0.847600 4.6262E+00 2.5042E+00 -1.5202E+01 H1 1478 1.008000 0.423800 5.1329E+00 3.0565E+00 -1.5864E+01 H2 1479 1.008000 0.423800 4.5624E+00 2.9984E+00 -1.4335E+01 O6 1480 15.999400 -0.847600 -3.1275E+00 -1.2032E+01 -1.4240E+01 H1 1481 1.008000 0.423800 -3.0187E+00 -1.1880E+01 -1.3258E+01 H2 1482 1.008000 0.423800 -2.4922E+00 -1.1443E+01 -1.4740E+01 O6 1483 15.999400 -0.847600 -1.0903E+00 9.6680E+00 1.9471E+01 H1 1484 1.008000 0.423800 -1.7208E+00 1.0144E+01 1.8858E+01 H2 1485 1.008000 0.423800 -1.0565E+00 8.6988E+00 1.9227E+01 O6 1486 15.999400 -0.847600 1.8987E+01 -1.8992E+01 -5.6598E+00 H1 1487 1.008000 0.423800 1.8543E+01 -1.9201E+01 -4.7888E+00 H2 1488 1.008000 0.423800 1.8838E+01 1.9352E+01 -6.3000E+00 O6 1489 15.999400 -0.847600 6.9284E+00 -1.4527E+00 -8.2103E+00 H1 1490 1.008000 0.423800 7.5373E+00 -2.0844E+00 -7.7304E+00 H2 1491 1.008000 0.423800 6.0161E+00 -1.8565E+00 -8.2784E+00 O6 1492 15.999400 -0.847600 -1.0388E+01 -3.0386E+00 1.2020E+01 H1 1493 1.008000 0.423800 -1.0257E+01 -3.7000E+00 1.2758E+01 H2 1494 1.008000 0.423800 -9.5430E+00 -2.9563E+00 1.1492E+01 O6 1495 15.999400 -0.847600 -1.3870E+01 -1.2668E+01 1.5917E+01 H1 1496 1.008000 0.423800 -1.3464E+01 -1.2041E+01 1.6583E+01 H2 1497 1.008000 0.423800 -1.4667E+01 -1.2236E+01 1.5496E+01 O6 1498 15.999400 -0.847600 1.3763E+01 1.7975E+01 -5.9695E+00 H1 1499 1.008000 0.423800 1.4213E+01 1.7207E+01 -5.5137E+00 H2 1500 1.008000 0.423800 1.4416E+01 1.8724E+01 -6.0834E+00 O6 1501 15.999400 -0.847600 -1.3216E+01 -1.6148E+01 -5.4443E-01 H1 1502 1.008000 0.423800 -1.3419E+01 -1.5789E+01 -1.4557E+00 H2 1503 1.008000 0.423800 -1.4071E+01 -1.6293E+01 -4.5918E-02 O6 1504 15.999400 -0.847600 9.3913E+00 1.7167E+01 -5.6818E-01 H1 1505 1.008000 0.423800 1.0104E+01 1.7210E+01 -1.2687E+00 H2 1506 1.008000 0.423800 8.8007E+00 1.7970E+01 -6.4291E-01 O6 1507 15.999400 -0.847600 -1.6806E+01 -1.6812E+01 -6.9906E+00 H1 1508 1.008000 0.423800 -1.6412E+01 -1.7419E+01 -7.6810E+00 H2 1509 1.008000 0.423800 -1.7742E+01 -1.6576E+01 -7.2494E+00 O6 1510 15.999400 -0.847600 -1.0126E+01 1.1853E+01 -1.4212E+00 H1 1511 1.008000 0.423800 -1.0331E+01 1.2734E+01 -1.8464E+00 H2 1512 1.008000 0.423800 -9.1611E+00 1.1824E+01 -1.1609E+00 O6 1513 15.999400 -0.847600 1.3657E+01 -1.0709E+01 7.4031E+00 H1 1514 1.008000 0.423800 1.2682E+01 -1.0571E+01 7.5749E+00 H2 1515 1.008000 0.423800 1.4178E+01 -1.0464E+01 8.2213E+00 O6 1516 15.999400 -0.847600 -1.6334E+00 -1.0090E+01 -1.6646E+00 H1 1517 1.008000 0.423800 -1.1430E+00 -1.0817E+01 -2.1452E+00 H2 1518 1.008000 0.423800 -2.0250E+00 -9.4556E+00 -2.3309E+00 O6 1519 15.999400 -0.847600 1.0548E+01 -1.9388E+00 -1.5240E+01 H1 1520 1.008000 0.423800 1.0443E+01 -9.5505E-01 -1.5386E+01 H2 1521 1.008000 0.423800 1.1418E+01 -2.1166E+00 -1.4780E+01 O6 1522 15.999400 -0.847600 1.8091E+01 1.0461E+01 -6.0060E+00 H1 1523 1.008000 0.423800 1.8101E+01 1.0098E+01 -5.0744E+00 H2 1524 1.008000 0.423800 1.7374E+01 1.1154E+01 -6.0852E+00 O6 1525 15.999400 -0.847600 -1.2618E+01 -1.0918E+01 1.7557E+01 H1 1526 1.008000 0.423800 -1.1628E+01 -1.1059E+01 1.7571E+01 H2 1527 1.008000 0.423800 -1.2821E+01 -9.9584E+00 1.7754E+01 O6 1528 15.999400 -0.847600 5.7564E+00 -1.6708E+01 1.2516E+01 H1 1529 1.008000 0.423800 6.2969E+00 -1.5912E+01 1.2243E+01 H2 1530 1.008000 0.423800 5.8171E+00 -1.6829E+01 1.3507E+01 O6 1531 15.999400 -0.847600 -4.1705E+00 8.0028E+00 -3.9807E+00 H1 1532 1.008000 0.423800 -4.4644E+00 7.9405E+00 -4.9346E+00 H2 1533 1.008000 0.423800 -4.7762E+00 7.4498E+00 -3.4086E+00 O6 1534 15.999400 -0.847600 1.8500E+01 1.8185E+01 -7.4723E+00 H1 1535 1.008000 0.423800 1.8939E+01 1.8306E+01 -8.3628E+00 H2 1536 1.008000 0.423800 1.7873E+01 1.7407E+01 -7.5122E+00 O6 1537 15.999400 -0.847600 1.5498E+01 -1.6788E+01 2.3649E+00 H1 1538 1.008000 0.423800 1.5269E+01 -1.5955E+01 1.8619E+00 H2 1539 1.008000 0.423800 1.6431E+01 -1.6718E+01 2.7184E+00 O6 1540 15.999400 -0.847600 1.0218E+01 -1.7606E+01 7.6982E+00 H1 1541 1.008000 0.423800 9.3132E+00 -1.7494E+01 8.1098E+00 H2 1542 1.008000 0.423800 1.0654E+01 -1.8426E+01 8.0703E+00 O6 1543 15.999400 -0.847600 1.2146E+01 1.0063E+01 1.5935E+01 H1 1544 1.008000 0.423800 1.1916E+01 9.7452E+00 1.6855E+01 H2 1545 1.008000 0.423800 1.3106E+01 1.0342E+01 1.5909E+01 O6 1546 15.999400 -0.847600 7.5504E+00 5.6360E+00 -7.5889E-01 H1 1547 1.008000 0.423800 8.0675E+00 5.8056E+00 8.0077E-02 H2 1548 1.008000 0.423800 8.1667E+00 5.2893E+00 -1.4660E+00 O6 1549 15.999400 -0.847600 -1.4365E+01 1.2045E+01 6.8454E+00 H1 1550 1.008000 0.423800 -1.4876E+01 1.2286E+01 6.0198E+00 H2 1551 1.008000 0.423800 -1.4099E+01 1.2880E+01 7.3279E+00 O6 1552 15.999400 -0.847600 -1.4055E+01 6.9127E+00 -1.3125E+01 H1 1553 1.008000 0.423800 -1.4024E+01 6.4613E+00 -1.4017E+01 H2 1554 1.008000 0.423800 -1.3985E+01 6.2260E+00 -1.2402E+01 O6 1555 15.999400 -0.847600 5.5114E+00 1.9018E+01 -2.4324E-01 H1 1556 1.008000 0.423800 5.5076E+00 1.8019E+01 -1.9973E-01 H2 1557 1.008000 0.423800 4.5830E+00 1.9362E+01 -1.0114E-01 O6 1558 15.999400 -0.847600 1.1277E+01 -1.4989E+01 1.0529E+01 H1 1559 1.008000 0.423800 1.1823E+01 -1.5395E+01 9.7948E+00 H2 1560 1.008000 0.423800 1.1456E+01 -1.4006E+01 1.0572E+01 O6 1561 15.999400 -0.847600 -1.7003E+01 -3.9943E+00 -3.3469E-01 H1 1562 1.008000 0.423800 -1.7173E+01 -4.5909E+00 4.4961E-01 H2 1563 1.008000 0.423800 -1.7548E+01 -3.1610E+00 -2.4405E-01 O6 1564 15.999400 -0.847600 -1.2292E+01 6.8264E-01 -1.3201E+01 H1 1565 1.008000 0.423800 -1.1324E+01 6.8499E-01 -1.3450E+01 H2 1566 1.008000 0.423800 -1.2732E+01 -1.3041E-01 -1.3581E+01 O6 1567 15.999400 -0.847600 3.6538E+00 1.5478E+01 -1.6024E+01 H1 1568 1.008000 0.423800 2.9001E+00 1.5190E+01 -1.6615E+01 H2 1569 1.008000 0.423800 4.4774E+00 1.4962E+01 -1.6259E+01 O6 1570 15.999400 -0.847600 -1.1663E+01 9.3748E-01 1.4167E+01 H1 1571 1.008000 0.423800 -1.2589E+01 7.1882E-01 1.4474E+01 H2 1572 1.008000 0.423800 -1.1211E+01 1.5102E+00 1.4850E+01 O6 1573 15.999400 -0.847600 -5.2261E+00 -4.0279E+00 -1.3640E+01 H1 1574 1.008000 0.423800 -4.4788E+00 -4.6842E+00 -1.3745E+01 H2 1575 1.008000 0.423800 -4.9040E+00 -3.2364E+00 -1.3120E+01 O6 1576 15.999400 -0.847600 -1.8296E+01 -1.1913E+01 -1.6588E+01 H1 1577 1.008000 0.423800 -1.8818E+01 -1.2545E+01 -1.7161E+01 H2 1578 1.008000 0.423800 -1.7475E+01 -1.1621E+01 -1.7078E+01 O6 1579 15.999400 -0.847600 -1.1814E+01 -1.2299E+01 -3.0858E+00 H1 1580 1.008000 0.423800 -1.2456E+01 -1.1577E+01 -3.3450E+00 H2 1581 1.008000 0.423800 -1.1134E+01 -1.1928E+01 -2.4529E+00 O6 1582 15.999400 -0.847600 -9.8812E+00 -4.7000E+00 1.4375E+01 H1 1583 1.008000 0.423800 -9.1045E+00 -5.3184E+00 1.4494E+01 H2 1584 1.008000 0.423800 -1.0028E+01 -4.1835E+00 1.5218E+01 O6 1585 15.999400 -0.847600 8.6999E+00 -5.2859E+00 1.6754E+01 H1 1586 1.008000 0.423800 8.6043E+00 -5.3134E+00 1.7750E+01 H2 1587 1.008000 0.423800 7.7933E+00 -5.2702E+00 1.6333E+01 O6 1588 15.999400 -0.847600 1.2003E+01 8.8533E+00 6.1008E+00 H1 1589 1.008000 0.423800 1.1380E+01 8.3569E+00 5.4962E+00 H2 1590 1.008000 0.423800 1.1788E+01 8.6348E+00 7.0527E+00 O6 1591 15.999400 -0.847600 -1.5587E+01 -1.1573E+01 -1.3243E+01 H1 1592 1.008000 0.423800 -1.4958E+01 -1.0914E+01 -1.3654E+01 H2 1593 1.008000 0.423800 -1.6486E+01 -1.1489E+01 -1.3671E+01 O6 1594 15.999400 -0.847600 4.5259E+00 3.9470E+00 1.3737E+01 H1 1595 1.008000 0.423800 4.3687E+00 3.9643E+00 1.4724E+01 H2 1596 1.008000 0.423800 5.5054E+00 4.0313E+00 1.3554E+01 O6 1597 15.999400 -0.847600 -1.6727E+01 -2.5038E+00 1.2389E+01 H1 1598 1.008000 0.423800 -1.5980E+01 -2.9389E+00 1.1887E+01 H2 1599 1.008000 0.423800 -1.6443E+01 -2.3416E+00 1.3334E+01 O6 1600 15.999400 -0.847600 1.6336E+01 -6.8445E+00 -1.7564E+01 H1 1601 1.008000 0.423800 1.5671E+01 -7.1982E+00 -1.8221E+01 H2 1602 1.008000 0.423800 1.6128E+01 -7.2013E+00 -1.6654E+01 O6 1603 15.999400 -0.847600 1.6514E+01 -1.7146E+00 -1.2897E+01 H1 1604 1.008000 0.423800 1.7282E+01 -1.1509E+00 -1.2593E+01 H2 1605 1.008000 0.423800 1.6692E+01 -2.0518E+00 -1.3821E+01 O6 1606 15.999400 -0.847600 -8.5892E+00 1.2591E+01 1.4105E+01 H1 1607 1.008000 0.423800 -8.1139E+00 1.1804E+01 1.3711E+01 H2 1608 1.008000 0.423800 -8.8602E+00 1.2381E+01 1.5044E+01 O6 1609 15.999400 -0.847600 1.8276E+01 3.3718E+00 7.5918E-01 H1 1610 1.008000 0.423800 1.8157E+01 3.4943E+00 1.7445E+00 H2 1611 1.008000 0.423800 1.8135E+01 2.4103E+00 5.2346E-01 O6 1612 15.999400 -0.847600 -3.9716E+00 -1.0044E+01 1.9298E+01 H1 1613 1.008000 0.423800 -4.0654E+00 -1.1030E+01 1.9429E+01 H2 1614 1.008000 0.423800 -3.0018E+00 -9.8003E+00 1.9281E+01 O6 1615 15.999400 -0.847600 -4.8073E-01 -1.4991E+01 1.5157E+01 H1 1616 1.008000 0.423800 -9.3699E-01 -1.5436E+01 1.5928E+01 H2 1617 1.008000 0.423800 4.6638E-01 -1.5307E+01 1.5103E+01 O6 1618 15.999400 -0.847600 1.4087E+01 9.5221E+00 -1.1365E+00 H1 1619 1.008000 0.423800 1.3679E+01 1.0028E+01 -1.8967E+00 H2 1620 1.008000 0.423800 1.3715E+01 8.5942E+00 -1.1156E+00 O6 1621 15.999400 -0.847600 1.9257E+01 -1.1975E+01 -9.3735E+00 H1 1622 1.008000 0.423800 1.8765E+01 -1.1461E+01 -8.6713E+00 H2 1623 1.008000 0.423800 1.8991E+01 -1.2938E+01 -9.3291E+00 O6 1624 15.999400 -0.847600 -1.3802E+01 5.3706E+00 -1.5275E+01 H1 1625 1.008000 0.423800 -1.4366E+01 4.5460E+00 -1.5223E+01 H2 1626 1.008000 0.423800 -1.4037E+01 5.8843E+00 -1.6100E+01 O6 1627 15.999400 -0.847600 1.0715E+01 5.4873E+00 1.5204E+01 H1 1628 1.008000 0.423800 1.0347E+01 5.1307E+00 1.4345E+01 H2 1629 1.008000 0.423800 1.1151E+01 6.3719E+00 1.5038E+01 O6 1630 15.999400 -0.847600 -5.9971E+00 -8.6436E+00 -1.8683E+01 H1 1631 1.008000 0.423800 -5.1365E+00 -8.9327E+00 -1.9102E+01 H2 1632 1.008000 0.423800 -6.6092E+00 -9.4302E+00 -1.8602E+01 O6 1633 15.999400 -0.847600 -7.7593E-01 6.9385E+00 1.8996E+01 H1 1634 1.008000 0.423800 2.4106E-02 6.3544E+00 1.9134E+01 H2 1635 1.008000 0.423800 -9.7613E-01 7.0053E+00 1.8019E+01 O6 1636 15.999400 -0.847600 -1.2719E+01 -8.4333E+00 1.8460E+01 H1 1637 1.008000 0.423800 -1.2386E+01 -7.5416E+00 1.8153E+01 H2 1638 1.008000 0.423800 -1.3665E+01 -8.3469E+00 1.8773E+01 O6 1639 15.999400 -0.847600 -9.4720E-01 9.9134E+00 4.8757E+00 H1 1640 1.008000 0.423800 -1.2894E+00 1.0837E+01 4.7032E+00 H2 1641 1.008000 0.423800 4.0858E-02 9.9467E+00 5.0260E+00 O6 1642 15.999400 -0.847600 -1.3711E+01 6.3273E+00 -1.8500E+01 H1 1643 1.008000 0.423800 -1.3874E+01 5.3444E+00 -1.8586E+01 H2 1644 1.008000 0.423800 -1.2726E+01 6.5033E+00 -1.8504E+01 O6 1645 15.999400 -0.847600 1.6448E+01 -1.4344E+01 -1.1961E+01 H1 1646 1.008000 0.423800 1.5724E+01 -1.4024E+01 -1.2572E+01 H2 1647 1.008000 0.423800 1.7321E+01 -1.3945E+01 -1.2241E+01 O6 1648 15.999400 -0.847600 -1.1362E+01 -9.1512E+00 -1.3708E+01 H1 1649 1.008000 0.423800 -1.1082E+01 -8.3559E+00 -1.4246E+01 H2 1650 1.008000 0.423800 -1.2348E+01 -9.1129E+00 -1.3546E+01 O6 1651 15.999400 -0.847600 3.5944E+00 3.8960E+00 1.6364E+01 H1 1652 1.008000 0.423800 2.9560E+00 4.6646E+00 1.6404E+01 H2 1653 1.008000 0.423800 3.1677E+00 3.0868E+00 1.6768E+01 O6 1654 15.999400 -0.847600 -1.2269E+01 -4.3537E+00 1.0616E+01 H1 1655 1.008000 0.423800 -1.1650E+01 -3.8909E+00 1.1250E+01 H2 1656 1.008000 0.423800 -1.2014E+01 -5.3179E+00 1.0545E+01 O6 1657 15.999400 -0.847600 -6.3669E+00 2.3565E+00 -6.6571E+00 H1 1658 1.008000 0.423800 -6.6639E+00 1.9189E+00 -7.5058E+00 H2 1659 1.008000 0.423800 -6.6706E+00 1.8104E+00 -5.8765E+00 O6 1660 15.999400 -0.847600 -1.2958E+01 -1.0976E+01 5.8676E+00 H1 1661 1.008000 0.423800 -1.3876E+01 -1.1263E+01 5.5915E+00 H2 1662 1.008000 0.423800 -1.2309E+01 -1.1714E+01 5.6823E+00 O6 1663 15.999400 -0.847600 -8.9483E+00 1.2431E+01 -1.1493E+01 H1 1664 1.008000 0.423800 -8.0763E+00 1.2001E+01 -1.1258E+01 H2 1665 1.008000 0.423800 -9.6939E+00 1.1787E+01 -1.1321E+01 O6 1666 15.999400 -0.847600 1.6725E+01 1.2597E+01 1.5287E+01 H1 1667 1.008000 0.423800 1.7508E+01 1.2257E+01 1.4765E+01 H2 1668 1.008000 0.423800 1.6999E+01 1.2753E+01 1.6235E+01 O6 1669 15.999400 -0.847600 -5.2565E+00 1.5100E+01 5.4193E+00 H1 1670 1.008000 0.423800 -4.5105E+00 1.4753E+01 5.9877E+00 H2 1671 1.008000 0.423800 -4.9142E+00 1.5833E+01 4.8314E+00 O6 1672 15.999400 -0.847600 7.1333E+00 -1.1655E+00 9.2836E+00 H1 1673 1.008000 0.423800 7.8861E+00 -1.1927E+00 8.6258E+00 H2 1674 1.008000 0.423800 7.2199E+00 -1.9312E+00 9.9209E+00 O6 1675 15.999400 -0.847600 1.6961E+01 3.8683E+00 -1.4691E+01 H1 1676 1.008000 0.423800 1.7479E+01 4.3688E+00 -1.5385E+01 H2 1677 1.008000 0.423800 1.6035E+01 3.6957E+00 -1.5026E+01 O6 1678 15.999400 -0.847600 6.8867E+00 1.5710E+01 1.9382E+01 H1 1679 1.008000 0.423800 6.8004E+00 1.6663E+01 1.9092E+01 H2 1680 1.008000 0.423800 7.8501E+00 1.5497E+01 1.9545E+01 O6 1681 15.999400 -0.847600 6.6677E-02 -1.0294E+01 -8.6929E+00 H1 1682 1.008000 0.423800 -2.9032E-01 -1.1034E+01 -9.2623E+00 H2 1683 1.008000 0.423800 4.9090E-01 -9.6006E+00 -9.2754E+00 O6 1684 15.999400 -0.847600 1.9508E+01 -1.8615E+00 -1.4047E+01 H1 1685 1.008000 0.423800 1.9028E+01 -1.2189E+00 -1.3449E+01 H2 1686 1.008000 0.423800 -1.8807E+01 -2.2495E+00 -1.3560E+01 O6 1687 15.999400 -0.847600 1.0624E+01 1.6659E+01 9.9134E+00 H1 1688 1.008000 0.423800 1.0745E+01 1.6946E+01 1.0864E+01 H2 1689 1.008000 0.423800 9.6552E+00 1.6483E+01 9.7394E+00 O6 1690 15.999400 -0.847600 -6.4683E+00 -1.4888E+01 -1.5460E+01 H1 1691 1.008000 0.423800 -7.4167E+00 -1.5117E+01 -1.5241E+01 H2 1692 1.008000 0.423800 -5.8542E+00 -1.5504E+01 -1.4967E+01 O6 1693 15.999400 -0.847600 1.7718E+01 -1.5044E+01 1.3634E+00 H1 1694 1.008000 0.423800 1.7942E+01 -1.5698E+01 2.0855E+00 H2 1695 1.008000 0.423800 1.7689E+01 -1.5516E+01 4.8263E-01 O6 1696 15.999400 -0.847600 -1.9206E+01 1.7184E+01 -5.4283E+00 H1 1697 1.008000 0.423800 -1.8693E+01 1.7866E+01 -4.9078E+00 H2 1698 1.008000 0.423800 1.9511E+01 1.7608E+01 -6.2500E+00 O6 1699 15.999400 -0.847600 1.8775E+01 1.8766E+01 -1.6133E+01 H1 1700 1.008000 0.423800 1.9357E+01 1.8124E+01 -1.6632E+01 H2 1701 1.008000 0.423800 1.9045E+01 -1.9395E+01 -1.6354E+01 O6 1702 15.999400 -0.847600 9.1584E+00 1.2597E+01 -1.6935E+01 H1 1703 1.008000 0.423800 1.0021E+01 1.2098E+01 -1.6843E+01 H2 1704 1.008000 0.423800 8.9158E+00 1.3008E+01 -1.6057E+01 O6 1705 15.999400 -0.847600 1.7558E+01 -1.0784E+01 -1.4443E+01 H1 1706 1.008000 0.423800 1.8079E+01 -1.0464E+01 -1.5234E+01 H2 1707 1.008000 0.423800 1.7037E+01 -1.1599E+01 -1.4694E+01 O6 1708 15.999400 -0.847600 1.6466E+01 4.3941E+00 1.6408E+01 H1 1709 1.008000 0.423800 1.6362E+01 5.2369E+00 1.5880E+01 H2 1710 1.008000 0.423800 1.6972E+01 3.7222E+00 1.5868E+01 O6 1711 15.999400 -0.847600 -1.3120E+01 1.9206E+01 8.9842E+00 H1 1712 1.008000 0.423800 -1.2387E+01 1.8641E+01 8.6037E+00 H2 1713 1.008000 0.423800 -1.2779E+01 -1.8965E+01 9.1407E+00 O6 1714 15.999400 -0.847600 -1.5352E+01 -1.3882E+01 -1.0718E+01 H1 1715 1.008000 0.423800 -1.5536E+01 -1.3138E+01 -1.1360E+01 H2 1716 1.008000 0.423800 -1.6009E+01 -1.4621E+01 -1.0867E+01 O6 1717 15.999400 -0.847600 1.0935E+01 -1.2070E+01 -1.6615E+01 H1 1718 1.008000 0.423800 1.1906E+01 -1.1941E+01 -1.6815E+01 H2 1719 1.008000 0.423800 1.0782E+01 -1.3005E+01 -1.6294E+01 O6 1720 15.999400 -0.847600 -1.3166E+01 1.6512E+01 1.3148E+01 H1 1721 1.008000 0.423800 -1.3148E+01 1.6738E+01 1.4122E+01 H2 1722 1.008000 0.423800 -1.4055E+01 1.6117E+01 1.2914E+01 O6 1723 15.999400 -0.847600 1.4556E+01 1.4413E+01 1.5140E+01 H1 1724 1.008000 0.423800 1.4716E+01 1.5127E+01 1.5821E+01 H2 1725 1.008000 0.423800 1.5326E+01 1.3775E+01 1.5137E+01 O6 1726 15.999400 -0.847600 7.4564E-01 2.5397E+00 6.7109E+00 H1 1727 1.008000 0.423800 8.7328E-01 2.6881E+00 5.7302E+00 H2 1728 1.008000 0.423800 1.5569E+00 2.0935E+00 7.0887E+00 O6 1729 15.999400 -0.847600 1.1051E+01 1.7909E+01 1.2542E+01 H1 1730 1.008000 0.423800 1.1446E+01 1.8789E+01 1.2280E+01 H2 1731 1.008000 0.423800 1.0417E+01 1.8041E+01 1.3303E+01 O6 1732 15.999400 -0.847600 2.1433E+00 5.1022E+00 6.4046E+00 H1 1733 1.008000 0.423800 1.4575E+00 4.5897E+00 5.8877E+00 H2 1734 1.008000 0.423800 2.3770E+00 4.6001E+00 7.2372E+00 O6 1735 15.999400 -0.847600 -1.5584E+01 -1.9259E+01 3.7417E+00 H1 1736 1.008000 0.423800 -1.6367E+01 1.9273E+01 3.4825E+00 H2 1737 1.008000 0.423800 -1.5729E+01 -1.8888E+01 4.6589E+00 O6 1738 15.999400 -0.847600 -6.7506E+00 -1.9183E+01 -1.2286E+01 H1 1739 1.008000 0.423800 -6.4528E+00 -1.9105E+01 -1.1334E+01 H2 1740 1.008000 0.423800 -7.3501E+00 -1.8415E+01 -1.2511E+01 O6 1741 15.999400 -0.847600 9.8052E+00 -6.1424E+00 -7.6462E+00 H1 1742 1.008000 0.423800 9.5770E+00 -5.2886E+00 -7.1782E+00 H2 1743 1.008000 0.423800 1.0461E+01 -5.9564E+00 -8.3777E+00 O6 1744 15.999400 -0.847600 1.8701E+01 -1.8164E+01 -1.9512E+01 H1 1745 1.008000 0.423800 1.7817E+01 -1.8631E+01 -1.9479E+01 H2 1746 1.008000 0.423800 1.8917E+01 -1.7798E+01 -1.8607E+01 O6 1747 15.999400 -0.847600 7.5477E+00 2.0268E+00 -1.7404E+01 H1 1748 1.008000 0.423800 6.9284E+00 2.6851E+00 -1.6976E+01 H2 1749 1.008000 0.423800 7.1988E+00 1.1004E+00 -1.7263E+01 O6 1750 15.999400 -0.847600 6.4952E+00 -5.8427E+00 1.4902E+01 H1 1751 1.008000 0.423800 5.9977E+00 -6.5364E+00 1.5423E+01 H2 1752 1.008000 0.423800 6.6076E+00 -6.1518E+00 1.3958E+01 O6 1753 15.999400 -0.847600 -1.4190E+01 -1.8467E+00 1.8978E+01 H1 1754 1.008000 0.423800 -1.3839E+01 -1.0392E+00 1.9453E+01 H2 1755 1.008000 0.423800 -1.5187E+01 -1.8726E+00 1.9057E+01 O6 1756 15.999400 -0.847600 -9.3396E-01 7.5084E-01 -1.7932E+01 H1 1757 1.008000 0.423800 -1.5083E+00 8.8743E-01 -1.7125E+01 H2 1758 1.008000 0.423800 -1.4738E+00 9.1719E-01 -1.8758E+01 O6 1759 15.999400 -0.847600 -5.3076E+00 1.6786E+01 -8.7062E+00 H1 1760 1.008000 0.423800 -4.6412E+00 1.7429E+01 -9.0837E+00 H2 1761 1.008000 0.423800 -6.0207E+00 1.6609E+01 -9.3844E+00 O6 1762 15.999400 -0.847600 -1.6496E+01 -8.8180E-01 -1.8778E+01 H1 1763 1.008000 0.423800 -1.7487E+01 -8.9967E-01 -1.8911E+01 H2 1764 1.008000 0.423800 -1.6234E+01 -2.3567E-02 -1.8336E+01 O6 1765 15.999400 -0.847600 1.4474E+00 2.8940E+00 1.2862E+01 H1 1766 1.008000 0.423800 2.3914E+00 2.8041E+00 1.3180E+01 H2 1767 1.008000 0.423800 8.4368E-01 3.0341E+00 1.3647E+01 O6 1768 15.999400 -0.847600 4.1744E+00 -1.6959E+01 -1.7605E+01 H1 1769 1.008000 0.423800 4.7976E+00 -1.7190E+01 -1.6858E+01 H2 1770 1.008000 0.423800 3.3400E+00 -1.7504E+01 -1.7524E+01 O6 1771 15.999400 -0.847600 -1.3143E+00 8.8770E-01 1.4156E+01 H1 1772 1.008000 0.423800 -9.2032E-01 5.5523E-01 1.3300E+01 H2 1773 1.008000 0.423800 -1.0722E+00 2.6323E-01 1.4899E+01 O6 1774 15.999400 -0.847600 -2.7226E+00 6.0794E+00 8.0342E+00 H1 1775 1.008000 0.423800 -2.5225E+00 6.6077E+00 7.2090E+00 H2 1776 1.008000 0.423800 -2.0212E+00 5.3776E+00 8.1588E+00 O6 1777 15.999400 -0.847600 -1.1489E+01 -1.9155E+00 -2.8449E+00 H1 1778 1.008000 0.423800 -1.0599E+01 -1.9165E+00 -2.3890E+00 H2 1779 1.008000 0.423800 -1.1500E+01 -2.6174E+00 -3.5570E+00 O6 1780 15.999400 -0.847600 -5.4933E+00 6.2624E+00 -9.8857E+00 H1 1781 1.008000 0.423800 -5.4099E+00 5.9733E+00 -1.0839E+01 H2 1782 1.008000 0.423800 -6.2774E+00 6.8758E+00 -9.7907E+00 O6 1783 15.999400 -0.847600 -5.2360E+00 1.5561E+01 1.8697E+01 H1 1784 1.008000 0.423800 -6.1996E+00 1.5724E+01 1.8485E+01 H2 1785 1.008000 0.423800 -4.8124E+00 1.6414E+01 1.9000E+01 O6 1786 15.999400 -0.847600 -9.9963E+00 -1.7974E+01 -2.9033E+00 H1 1787 1.008000 0.423800 -1.0017E+01 -1.7977E+01 -1.9035E+00 H2 1788 1.008000 0.423800 -1.0407E+01 -1.7128E+01 -3.2422E+00 O6 1789 15.999400 -0.847600 2.0847E+00 -1.5181E+01 1.5336E+01 H1 1790 1.008000 0.423800 2.5985E+00 -1.5301E+01 1.4486E+01 H2 1791 1.008000 0.423800 2.5846E+00 -1.4564E+01 1.5943E+01 O6 1792 15.999400 -0.847600 -5.9217E+00 1.4450E+01 -7.1448E+00 H1 1793 1.008000 0.423800 -5.3024E+00 1.4921E+01 -7.7727E+00 H2 1794 1.008000 0.423800 -6.6920E+00 1.5048E+01 -6.9245E+00 O6 1795 15.999400 -0.847600 1.4928E+01 4.4402E-02 -5.4633E+00 H1 1796 1.008000 0.423800 1.5030E+01 1.0388E+00 -5.4890E+00 H2 1797 1.008000 0.423800 1.5250E+01 -3.4616E-01 -6.3256E+00 O6 1798 15.999400 -0.847600 -3.3744E+00 -8.0337E+00 6.9543E+00 H1 1799 1.008000 0.423800 -4.0442E+00 -8.7724E+00 6.8789E+00 H2 1800 1.008000 0.423800 -3.6243E+00 -7.2924E+00 6.3313E+00 O6 1801 15.999400 -0.847600 6.6991E-01 1.7804E+01 -1.3112E+01 H1 1802 1.008000 0.423800 3.1672E-01 1.8739E+01 -1.3153E+01 H2 1803 1.008000 0.423800 1.6096E+00 1.7788E+01 -1.3453E+01 O6 1804 15.999400 -0.847600 -9.5521E+00 1.0016E+01 -1.5351E+01 H1 1805 1.008000 0.423800 -1.0113E+01 9.4660E+00 -1.4732E+01 H2 1806 1.008000 0.423800 -9.6846E+00 1.0986E+01 -1.5147E+01 O6 1807 15.999400 -0.847600 -4.6070E+00 -4.3246E+00 1.6294E+00 H1 1808 1.008000 0.423800 -3.9121E+00 -4.7854E+00 2.1815E+00 H2 1809 1.008000 0.423800 -4.3211E+00 -4.3184E+00 6.7116E-01 O6 1810 15.999400 -0.847600 1.1866E+01 1.5736E+01 4.8082E+00 H1 1811 1.008000 0.423800 1.1003E+01 1.6143E+01 5.1077E+00 H2 1812 1.008000 0.423800 1.2558E+01 1.5861E+01 5.5188E+00 O6 1813 15.999400 -0.847600 1.9090E+01 -5.2422E+00 6.0383E+00 H1 1814 1.008000 0.423800 1.8810E+01 -5.0982E+00 5.0890E+00 H2 1815 1.008000 0.423800 -1.9015E+01 -5.3543E+00 6.0800E+00 O6 1816 15.999400 -0.847600 1.1843E+00 6.0657E+00 -5.7091E+00 H1 1817 1.008000 0.423800 4.0964E-01 6.6153E+00 -6.0220E+00 H2 1818 1.008000 0.423800 1.9572E+00 6.6660E+00 -5.5032E+00 O6 1819 15.999400 -0.847600 1.3768E+01 3.0294E+00 1.2524E+01 H1 1820 1.008000 0.423800 1.3406E+01 3.9607E+00 1.2484E+01 H2 1821 1.008000 0.423800 1.4409E+01 2.9533E+00 1.3287E+01 O6 1822 15.999400 -0.847600 1.8731E+01 7.1994E+00 -6.8583E+00 H1 1823 1.008000 0.423800 -1.9450E+01 6.8534E+00 -6.6575E+00 H2 1824 1.008000 0.423800 1.8732E+01 8.1979E+00 -6.8031E+00 O6 1825 15.999400 -0.847600 1.1529E+01 7.4428E+00 1.1581E+00 H1 1826 1.008000 0.423800 1.2143E+01 7.6531E+00 1.9191E+00 H2 1827 1.008000 0.423800 1.2044E+01 7.4607E+00 3.0060E-01 O6 1828 15.999400 -0.847600 -1.1288E-01 -4.2723E+00 -3.4628E+00 H1 1829 1.008000 0.423800 -6.8382E-01 -4.1287E+00 -4.2712E+00 H2 1830 1.008000 0.423800 -4.7424E-01 -3.7361E+00 -2.7000E+00 O6 1831 15.999400 -0.847600 -1.7631E+01 1.1321E+01 -1.6840E+01 H1 1832 1.008000 0.423800 -1.6754E+01 1.1778E+01 -1.6992E+01 H2 1833 1.008000 0.423800 -1.7486E+01 1.0496E+01 -1.6294E+01 O6 1834 15.999400 -0.847600 5.7332E+00 1.2625E+01 1.1270E+01 H1 1835 1.008000 0.423800 4.7915E+00 1.2473E+01 1.0970E+01 H2 1836 1.008000 0.423800 5.7474E+00 1.3333E+01 1.1976E+01 O6 1837 15.999400 -0.847600 -1.1979E+01 -1.2506E+01 -7.7028E+00 H1 1838 1.008000 0.423800 -1.1619E+01 -1.2666E+01 -8.6223E+00 H2 1839 1.008000 0.423800 -1.2252E+01 -1.1548E+01 -7.6133E+00 O6 1840 15.999400 -0.847600 3.6697E+00 5.1133E-01 -4.8490E+00 H1 1841 1.008000 0.423800 4.6507E+00 3.5009E-01 -4.7416E+00 H2 1842 1.008000 0.423800 3.2333E+00 5.2240E-01 -3.9493E+00 O6 1843 15.999400 -0.847600 1.2858E+01 7.0432E+00 -1.1862E+00 H1 1844 1.008000 0.423800 1.2048E+01 6.7936E+00 -1.7167E+00 H2 1845 1.008000 0.423800 1.3609E+01 6.4238E+00 -1.4139E+00 O6 1846 15.999400 -0.847600 -1.8169E+01 6.1994E+00 -1.1856E+01 H1 1847 1.008000 0.423800 -1.7918E+01 6.9864E+00 -1.2420E+01 H2 1848 1.008000 0.423800 -1.8152E+01 6.4613E+00 -1.0891E+01 O6 1849 15.999400 -0.847600 1.5739E+01 -1.3715E+00 -3.2103E+00 H1 1850 1.008000 0.423800 1.5277E+01 -9.4980E-01 -3.9904E+00 H2 1851 1.008000 0.423800 1.5970E+01 -6.6699E-01 -2.5393E+00 O6 1852 15.999400 -0.847600 1.9093E+01 8.7339E+00 3.8912E+00 H1 1853 1.008000 0.423800 1.8463E+01 9.2636E+00 4.4595E+00 H2 1854 1.008000 0.423800 1.9373E+01 9.2828E+00 3.1039E+00 O6 1855 15.999400 -0.847600 1.3421E+01 -1.8881E+01 -8.8219E+00 H1 1856 1.008000 0.423800 1.2787E+01 -1.9185E+01 -8.1108E+00 H2 1857 1.008000 0.423800 1.4197E+01 -1.9509E+01 -8.8680E+00 O6 1858 15.999400 -0.847600 4.5217E+00 -1.2688E+01 1.2393E+01 H1 1859 1.008000 0.423800 4.6397E+00 -1.1956E+01 1.3064E+01 H2 1860 1.008000 0.423800 3.5537E+00 -1.2771E+01 1.2157E+01 O6 1861 15.999400 -0.847600 1.7364E+01 -1.0659E+01 1.6030E+01 H1 1862 1.008000 0.423800 1.7514E+01 -1.0377E+01 1.6978E+01 H2 1863 1.008000 0.423800 1.6715E+01 -1.0034E+01 1.5595E+01 O6 1864 15.999400 -0.847600 -1.2258E+01 1.4789E+01 5.2105E+00 H1 1865 1.008000 0.423800 -1.2489E+01 1.5554E+01 5.8107E+00 H2 1866 1.008000 0.423800 -1.2942E+01 1.4716E+01 4.4847E+00 O6 1867 15.999400 -0.847600 -5.2974E+00 5.6417E+00 8.8771E+00 H1 1868 1.008000 0.423800 -4.3501E+00 5.6346E+00 8.5567E+00 H2 1869 1.008000 0.423800 -5.8580E+00 5.0760E+00 8.2724E+00 O6 1870 15.999400 -0.847600 -4.4697E-01 1.1941E+00 2.3342E+00 H1 1871 1.008000 0.423800 -3.4643E-02 3.2505E-01 2.6077E+00 H2 1872 1.008000 0.423800 -1.4047E+00 1.0456E+00 2.0879E+00 O6 1873 15.999400 -0.847600 -9.6940E+00 1.9148E+01 -4.5095E+00 H1 1874 1.008000 0.423800 -9.8397E+00 -1.9246E+01 -3.8134E+00 H2 1875 1.008000 0.423800 -1.0377E+01 1.9249E+01 -5.2331E+00 O6 1876 15.999400 -0.847600 2.5641E+00 1.7188E+01 1.0657E+01 H1 1877 1.008000 0.423800 2.2650E+00 1.8141E+01 1.0602E+01 H2 1878 1.008000 0.423800 3.5381E+00 1.7157E+01 1.0881E+01 O6 1879 15.999400 -0.847600 -8.8474E-01 5.2720E+00 4.4521E+00 H1 1880 1.008000 0.423800 -1.0364E+00 5.8412E+00 5.2601E+00 H2 1881 1.008000 0.423800 -1.5634E+00 5.4977E+00 3.7532E+00 O6 1882 15.999400 -0.847600 1.1193E+01 -1.1159E+01 -2.5350E+00 H1 1883 1.008000 0.423800 1.1109E+01 -1.0897E+01 -1.5736E+00 H2 1884 1.008000 0.423800 1.0524E+01 -1.1872E+01 -2.7457E+00 O6 1885 15.999400 -0.847600 -1.4031E+01 -2.2020E-01 1.1817E+01 H1 1886 1.008000 0.423800 -1.4356E+01 7.2315E-01 1.1753E+01 H2 1887 1.008000 0.423800 -1.3827E+01 -4.3846E-01 1.2771E+01 O6 1888 15.999400 -0.847600 -1.3153E+01 -1.6767E+01 -8.3665E+00 H1 1889 1.008000 0.423800 -1.3687E+01 -1.6697E+01 -7.5236E+00 H2 1890 1.008000 0.423800 -1.3664E+01 -1.7300E+01 -9.0406E+00 O6 1891 15.999400 -0.847600 -1.6976E+01 -7.9664E+00 4.5798E+00 H1 1892 1.008000 0.423800 -1.7877E+01 -8.1225E+00 4.1752E+00 H2 1893 1.008000 0.423800 -1.6899E+01 -8.4832E+00 5.4325E+00 O6 1894 15.999400 -0.847600 3.6154E+00 8.6929E+00 7.5904E+00 H1 1895 1.008000 0.423800 4.1757E+00 8.2984E+00 8.3188E+00 H2 1896 1.008000 0.423800 4.1936E+00 9.2378E+00 6.9832E+00 O6 1897 15.999400 -0.847600 7.5739E+00 3.0721E+00 -4.1491E+00 H1 1898 1.008000 0.423800 8.4045E+00 2.6352E+00 -4.4945E+00 H2 1899 1.008000 0.423800 7.6565E+00 3.2118E+00 -3.1624E+00 O6 1900 15.999400 -0.847600 -1.3424E+01 -4.8952E+00 -8.8025E+00 H1 1901 1.008000 0.423800 -1.3357E+01 -3.9278E+00 -8.5579E+00 H2 1902 1.008000 0.423800 -1.4387E+01 -5.1626E+00 -8.8441E+00 O6 1903 15.999400 -0.847600 -1.2791E+01 -1.2439E+01 -1.4175E+01 H1 1904 1.008000 0.423800 -1.1817E+01 -1.2373E+01 -1.4390E+01 H2 1905 1.008000 0.423800 -1.3242E+01 -1.1576E+01 -1.4401E+01 O6 1906 15.999400 -0.847600 -7.1313E-01 2.6177E+00 -1.5237E+01 H1 1907 1.008000 0.423800 -6.3333E-01 3.4502E+00 -1.5785E+01 H2 1908 1.008000 0.423800 -1.5654E+00 2.1478E+00 -1.5466E+01 O6 1909 15.999400 -0.847600 4.1120E+00 -1.5167E+00 -1.6081E+01 H1 1910 1.008000 0.423800 5.0245E+00 -1.2311E+00 -1.6374E+01 H2 1911 1.008000 0.423800 3.7190E+00 -8.1650E-01 -1.5485E+01 O6 1912 15.999400 -0.847600 -8.9018E+00 1.5255E+01 6.5839E+00 H1 1913 1.008000 0.423800 -8.0986E+00 1.5314E+01 7.1766E+00 H2 1914 1.008000 0.423800 -9.7287E+00 1.5396E+01 7.1282E+00 O6 1915 15.999400 -0.847600 1.4770E+01 -9.2132E+00 4.6795E-01 H1 1916 1.008000 0.423800 1.4561E+01 -1.0184E+01 5.8953E-01 H2 1917 1.008000 0.423800 1.3998E+01 -8.7591E+00 2.3704E-02 O6 1918 15.999400 -0.847600 -1.3062E+01 7.9185E+00 -3.6250E+00 H1 1919 1.008000 0.423800 -1.2543E+01 8.7055E+00 -3.2908E+00 H2 1920 1.008000 0.423800 -1.2468E+01 7.1146E+00 -3.6512E+00 O6 1921 15.999400 -0.847600 -7.0147E+00 -1.3325E+00 -1.9230E+01 H1 1922 1.008000 0.423800 -7.1752E+00 -1.7583E+00 1.8977E+01 H2 1923 1.008000 0.423800 -7.8913E+00 -1.1532E+00 -1.8784E+01 O6 1924 15.999400 -0.847600 6.8871E+00 1.1848E+01 -1.5777E+01 H1 1925 1.008000 0.423800 6.7285E+00 1.0863E+01 -1.5704E+01 H2 1926 1.008000 0.423800 7.6517E+00 1.2017E+01 -1.6399E+01 O6 1927 15.999400 -0.847600 1.8313E+01 7.6169E+00 1.4260E+01 H1 1928 1.008000 0.423800 1.8517E+01 7.3508E+00 1.3318E+01 H2 1929 1.008000 0.423800 1.8568E+01 8.5740E+00 1.4398E+01 O6 1930 15.999400 -0.847600 8.0149E+00 -1.8020E+01 -9.0435E+00 H1 1931 1.008000 0.423800 8.5931E+00 -1.7331E+01 -9.4808E+00 H2 1932 1.008000 0.423800 8.5598E+00 -1.8547E+01 -8.3913E+00 O6 1933 15.999400 -0.847600 4.3859E+00 6.7770E+00 1.3018E+01 H1 1934 1.008000 0.423800 4.3192E+00 5.8163E+00 1.3287E+01 H2 1935 1.008000 0.423800 4.5248E+00 7.3422E+00 1.3831E+01 O6 1936 15.999400 -0.847600 1.8278E+01 -5.7363E+00 1.3839E+01 H1 1937 1.008000 0.423800 1.8384E+01 -5.8235E+00 1.4830E+01 H2 1938 1.008000 0.423800 1.8734E+01 -4.9029E+00 1.3527E+01 O6 1939 15.999400 -0.847600 5.5801E+00 -1.7026E+01 9.3163E-01 H1 1940 1.008000 0.423800 5.2343E+00 -1.6117E+01 6.9634E-01 H2 1941 1.008000 0.423800 5.9855E+00 -1.7448E+01 1.2101E-01 O6 1942 15.999400 -0.847600 3.7224E+00 -1.0335E+01 -1.8584E+01 H1 1943 1.008000 0.423800 4.6384E+00 -1.0714E+01 -1.8713E+01 H2 1944 1.008000 0.423800 3.0730E+00 -1.0827E+01 -1.9164E+01 O6 1945 15.999400 -0.847600 1.0203E+01 9.2328E+00 1.4082E+01 H1 1946 1.008000 0.423800 9.5915E+00 9.8975E+00 1.3653E+01 H2 1947 1.008000 0.423800 1.0990E+01 9.7089E+00 1.4475E+01 O6 1948 15.999400 -0.847600 -1.8163E+00 1.2811E+01 4.2187E+00 H1 1949 1.008000 0.423800 -1.2835E+00 1.3509E+01 3.7397E+00 H2 1950 1.008000 0.423800 -1.6229E+00 1.2859E+01 5.1987E+00 O6 1951 15.999400 -0.847600 -1.8952E+01 -1.7343E+01 1.7350E+01 H1 1952 1.008000 0.423800 -1.9414E+01 -1.7639E+01 1.8187E+01 H2 1953 1.008000 0.423800 1.9469E+01 -1.7206E+01 1.6627E+01 O6 1954 15.999400 -0.847600 1.6457E+01 3.2080E-01 2.5342E+00 H1 1955 1.008000 0.423800 1.6555E+01 -6.6394E-01 2.3903E+00 H2 1956 1.008000 0.423800 1.7308E+01 6.8949E-01 2.9071E+00 O6 1957 15.999400 -0.847600 -1.7932E+01 -4.0949E+00 3.6208E+00 H1 1958 1.008000 0.423800 -1.7916E+01 -4.8512E+00 2.9667E+00 H2 1959 1.008000 0.423800 -1.7617E+01 -4.4192E+00 4.5127E+00 O6 1960 15.999400 -0.847600 -1.2218E+01 1.2809E+01 -1.2779E+01 H1 1961 1.008000 0.423800 -1.1396E+01 1.2903E+01 -1.3341E+01 H2 1962 1.008000 0.423800 -1.2990E+01 1.2549E+01 -1.3359E+01 O6 1963 15.999400 -0.847600 1.3164E+01 1.2144E+01 -8.4823E+00 H1 1964 1.008000 0.423800 1.4019E+01 1.1627E+01 -8.4439E+00 H2 1965 1.008000 0.423800 1.2417E+01 1.1577E+01 -8.1350E+00 O6 1966 15.999400 -0.847600 9.9044E+00 -1.8020E+01 3.1895E-01 H1 1967 1.008000 0.423800 9.6808E+00 -1.7968E+01 1.2923E+00 H2 1968 1.008000 0.423800 1.0888E+01 -1.7887E+01 1.9538E-01 O6 1969 15.999400 -0.847600 1.6084E+01 8.9464E+00 -3.5613E+00 H1 1970 1.008000 0.423800 1.6598E+01 9.6363E+00 -3.0522E+00 H2 1971 1.008000 0.423800 1.5846E+01 8.1904E+00 -2.9513E+00 O6 1972 15.999400 -0.847600 -9.4814E+00 -4.5075E+00 -1.0180E+01 H1 1973 1.008000 0.423800 -1.0356E+01 -4.0530E+00 -1.0352E+01 H2 1974 1.008000 0.423800 -8.8490E+00 -4.3070E+00 -1.0929E+01 O6 1975 15.999400 -0.847600 -1.4259E+01 -3.4739E+00 2.1731E-01 H1 1976 1.008000 0.423800 -1.3739E+01 -2.7837E+00 -2.8623E-01 H2 1977 1.008000 0.423800 -1.5218E+01 -3.4408E+00 -6.5130E-02 O6 1978 15.999400 -0.847600 1.8728E+01 8.8928E+00 -1.7697E+01 H1 1979 1.008000 0.423800 1.7849E+01 8.5500E+00 -1.8030E+01 H2 1980 1.008000 0.423800 1.9121E+01 8.2342E+00 -1.7055E+01 O6 1981 15.999400 -0.847600 -9.0951E+00 1.9185E+01 5.2864E+00 H1 1982 1.008000 0.423800 -8.6310E+00 1.8599E+01 4.6218E+00 H2 1983 1.008000 0.423800 -1.0050E+01 1.9305E+01 5.0149E+00 O6 1984 15.999400 -0.847600 1.4282E+00 5.5003E+00 -1.9305E+01 H1 1985 1.008000 0.423800 1.6526E+00 4.5321E+00 -1.9194E+01 H2 1986 1.008000 0.423800 2.2181E+00 5.9843E+00 1.9416E+01 O6 1987 15.999400 -0.847600 1.3632E+01 1.8993E+00 5.3634E+00 H1 1988 1.008000 0.423800 1.3529E+01 2.4213E+00 6.2101E+00 H2 1989 1.008000 0.423800 1.4543E+01 1.4871E+00 5.3351E+00 O6 1990 15.999400 -0.847600 1.0504E+01 1.6625E+01 1.9519E+01 H1 1991 1.008000 0.423800 9.9224E+00 1.5864E+01 -1.9290E+01 H2 1992 1.008000 0.423800 1.1260E+01 1.6274E+01 1.8965E+01 O6 1993 15.999400 -0.847600 -1.7693E+01 1.2421E+00 3.7415E+00 H1 1994 1.008000 0.423800 -1.7297E+01 5.2385E-01 3.1699E+00 H2 1995 1.008000 0.423800 -1.7036E+01 1.5075E+00 4.4471E+00 O6 1996 15.999400 -0.847600 -1.1348E+01 -4.0619E-02 -1.6512E+01 H1 1997 1.008000 0.423800 -1.1248E+01 -9.3706E-01 -1.6081E+01 H2 1998 1.008000 0.423800 -1.0496E+01 4.7380E-01 -1.6414E+01 O6 1999 15.999400 -0.847600 -1.4511E+01 2.1142E+00 -1.1679E+01 H1 2000 1.008000 0.423800 -1.4410E+01 1.7211E+00 -1.0765E+01 H2 2001 1.008000 0.423800 -1.3750E+01 1.8163E+00 -1.2255E+01 O6 2002 15.999400 -0.847600 -1.5399E+01 -1.6842E+01 1.2701E+00 H1 2003 1.008000 0.423800 -1.5109E+01 -1.7505E+01 1.9606E+00 H2 2004 1.008000 0.423800 -1.6383E+01 -1.6933E+01 1.1132E+00 O6 2005 15.999400 -0.847600 6.0433E-01 -5.8317E+00 4.9791E+00 H1 2006 1.008000 0.423800 4.7991E-02 -5.9930E+00 4.1639E+00 H2 2007 1.008000 0.423800 1.2019E+00 -5.0450E+00 4.8244E+00 O6 2008 15.999400 -0.847600 1.1381E+01 8.2978E+00 -1.5053E+01 H1 2009 1.008000 0.423800 1.2373E+01 8.2349E+00 -1.4942E+01 H2 2010 1.008000 0.423800 1.0941E+01 8.2400E+00 -1.4158E+01 O6 2011 15.999400 -0.847600 1.6890E+01 -3.3997E+00 7.1310E+00 H1 2012 1.008000 0.423800 1.6420E+01 -2.9353E+00 6.3803E+00 H2 2013 1.008000 0.423800 1.7133E+01 -4.3279E+00 6.8489E+00 O6 2014 15.999400 -0.847600 1.6895E+01 1.7556E+01 -1.7578E+01 H1 2015 1.008000 0.423800 1.6714E+01 1.8035E+01 -1.8437E+01 H2 2016 1.008000 0.423800 1.7536E+01 1.8089E+01 -1.7027E+01 O6 2017 15.999400 -0.847600 1.8535E+01 -1.2084E+01 4.7000E+00 H1 2018 1.008000 0.423800 1.7921E+01 -1.2229E+01 3.9237E+00 H2 2019 1.008000 0.423800 1.8053E+01 -1.1576E+01 5.4144E+00 O6 2020 15.999400 -0.847600 -1.5619E+01 4.2779E+00 -1.9894E+00 H1 2021 1.008000 0.423800 -1.6362E+01 4.6594E+00 -1.4399E+00 H2 2022 1.008000 0.423800 -1.5774E+01 4.4916E+00 -2.9539E+00 O6 2023 15.999400 -0.847600 9.4422E+00 1.1205E+01 -2.7255E-01 H1 2024 1.008000 0.423800 9.5707E+00 1.0571E+01 4.9021E-01 H2 2025 1.008000 0.423800 8.5024E+00 1.1138E+01 -6.0744E-01 O6 2026 15.999400 -0.847600 4.0778E+00 8.3871E+00 -6.7820E-01 H1 2027 1.008000 0.423800 4.4815E+00 8.4012E+00 2.3657E-01 H2 2028 1.008000 0.423800 3.3055E+00 9.0215E+00 -7.1144E-01 O6 2029 15.999400 -0.847600 -1.1589E+01 5.5688E+00 -2.7300E+00 H1 2030 1.008000 0.423800 -1.2168E+01 4.9411E+00 -2.2091E+00 H2 2031 1.008000 0.423800 -1.0794E+01 5.8239E+00 -2.1795E+00 O6 2032 15.999400 -0.847600 1.8374E+01 5.3447E+00 1.8988E+01 H1 2033 1.008000 0.423800 1.8991E+01 5.8108E+00 1.8354E+01 H2 2034 1.008000 0.423800 1.7960E+01 4.5573E+00 1.8531E+01 O6 2035 15.999400 -0.847600 6.1374E+00 4.6128E+00 1.7333E+01 H1 2036 1.008000 0.423800 5.3002E+00 4.2481E+00 1.6925E+01 H2 2037 1.008000 0.423800 6.7983E+00 3.8724E+00 1.7456E+01 O6 2038 15.999400 -0.847600 -3.8228E+00 -9.3971E+00 -4.8890E+00 H1 2039 1.008000 0.423800 -4.3907E+00 -8.8598E+00 -4.2654E+00 H2 2040 1.008000 0.423800 -3.9385E+00 -9.0566E+00 -5.8221E+00 O6 2041 15.999400 -0.847600 8.4542E+00 1.1670E+01 1.0826E+01 H1 2042 1.008000 0.423800 8.6512E+00 1.1813E+01 1.1796E+01 H2 2043 1.008000 0.423800 7.5632E+00 1.2066E+01 1.0605E+01 O6 2044 15.999400 -0.847600 1.5564E+01 1.5037E+01 5.9606E+00 H1 2045 1.008000 0.423800 1.6289E+01 1.5721E+01 5.8786E+00 H2 2046 1.008000 0.423800 1.5582E+01 1.4435E+01 5.1620E+00 O6 2047 15.999400 -0.847600 8.6741E+00 7.3043E+00 -1.0707E+01 H1 2048 1.008000 0.423800 8.7777E+00 6.3608E+00 -1.0392E+01 H2 2049 1.008000 0.423800 7.7863E+00 7.6582E+00 -1.0412E+01 O6 2050 15.999400 -0.847600 -1.3374E+01 1.3794E+00 2.1601E-01 H1 2051 1.008000 0.423800 -1.2954E+01 1.5021E+00 1.1152E+00 H2 2052 1.008000 0.423800 -1.3168E+01 4.6274E-01 -1.2602E-01 O6 2053 15.999400 -0.847600 -6.9989E+00 -1.8721E+01 -1.6593E+01 H1 2054 1.008000 0.423800 -7.4911E+00 -1.7879E+01 -1.6814E+01 H2 2055 1.008000 0.423800 -6.1209E+00 -1.8493E+01 -1.6172E+01 O6 2056 15.999400 -0.847600 6.1710E-01 -1.1387E+01 -6.2411E+00 H1 2057 1.008000 0.423800 5.5782E-01 -1.0835E+01 -7.0730E+00 H2 2058 1.008000 0.423800 1.5670E+00 -1.1420E+01 -5.9305E+00 O6 2059 15.999400 -0.847600 1.7174E+01 -2.6860E+00 -1.8796E+01 H1 2060 1.008000 0.423800 1.8109E+01 -2.9065E+00 -1.8517E+01 H2 2061 1.008000 0.423800 1.6905E+01 -3.2768E+00 1.9541E+01 O6 2062 15.999400 -0.847600 1.5300E+01 -1.8897E+00 3.4474E-01 H1 2063 1.008000 0.423800 1.4542E+01 -1.2385E+00 3.2423E-01 H2 2064 1.008000 0.423800 1.5649E+01 -1.9658E+00 1.2789E+00 O6 2065 15.999400 -0.847600 -1.1660E+01 1.0559E+01 1.4905E+01 H1 2066 1.008000 0.423800 -1.2436E+01 1.0446E+01 1.5526E+01 H2 2067 1.008000 0.423800 -1.1885E+01 1.1247E+01 1.4214E+01 O6 2068 15.999400 -0.847600 1.2500E+01 -3.7531E+00 1.9470E+01 H1 2069 1.008000 0.423800 1.2409E+01 -4.0817E+00 1.8530E+01 H2 2070 1.008000 0.423800 1.3071E+01 -2.9329E+00 1.9483E+01 O6 2071 15.999400 -0.847600 -7.5985E+00 4.7375E+00 -1.8602E+00 H1 2072 1.008000 0.423800 -7.1852E+00 5.6340E+00 -2.0198E+00 H2 2073 1.008000 0.423800 -8.5059E+00 4.8558E+00 -1.4570E+00 O6 2074 15.999400 -0.847600 -3.3603E+00 6.1448E+00 -1.8953E+01 H1 2075 1.008000 0.423800 -3.3221E+00 5.1854E+00 -1.8673E+01 H2 2076 1.008000 0.423800 -2.5421E+00 6.3707E+00 -1.9481E+01 O6 2077 15.999400 -0.847600 1.1339E+01 2.5963E+00 3.9825E+00 H1 2078 1.008000 0.423800 1.1434E+01 2.3886E+00 4.9561E+00 H2 2079 1.008000 0.423800 1.2218E+01 2.9068E+00 3.6205E+00 O6 2080 15.999400 -0.847600 -9.0269E+00 1.2720E+01 -4.2458E+00 H1 2081 1.008000 0.423800 -8.1006E+00 1.2605E+01 -4.6045E+00 H2 2082 1.008000 0.423800 -8.9901E+00 1.3225E+01 -3.3835E+00 O6 2083 15.999400 -0.847600 -7.1697E+00 2.1988E+00 8.5019E+00 H1 2084 1.008000 0.423800 -6.9499E+00 2.9214E+00 7.8465E+00 H2 2085 1.008000 0.423800 -7.5074E+00 1.3955E+00 8.0113E+00 O6 2086 15.999400 -0.847600 -7.8277E+00 3.0834E+00 1.6588E+01 H1 2087 1.008000 0.423800 -7.1617E+00 3.4395E+00 1.5933E+01 H2 2088 1.008000 0.423800 -8.7436E+00 3.3949E+00 1.6335E+01 O6 2089 15.999400 -0.847600 3.4731E+00 2.6198E+00 5.6485E+00 H1 2090 1.008000 0.423800 3.2945E+00 1.7086E+00 6.0199E+00 H2 2091 1.008000 0.423800 4.0498E+00 3.1319E+00 6.2849E+00 O6 2092 15.999400 -0.847600 -4.5672E+00 -8.9510E+00 -7.4349E+00 H1 2093 1.008000 0.423800 -4.0530E+00 -8.3319E+00 -8.0285E+00 H2 2094 1.008000 0.423800 -4.8071E+00 -9.7778E+00 -7.9436E+00 O6 2095 15.999400 -0.847600 1.3820E+01 1.2688E+01 6.7246E+00 H1 2096 1.008000 0.423800 1.4576E+01 1.2466E+01 7.3413E+00 H2 2097 1.008000 0.423800 1.3966E+01 1.3597E+01 6.3336E+00 O6 2098 15.999400 -0.847600 -1.4608E+01 1.6035E+00 7.7195E+00 H1 2099 1.008000 0.423800 -1.4503E+01 6.5768E-01 8.0270E+00 H2 2100 1.008000 0.423800 -1.3926E+01 2.1784E+00 8.1727E+00 O6 2101 15.999400 -0.847600 1.2577E-01 -1.8708E+01 -4.5459E+00 H1 2102 1.008000 0.423800 4.1893E-01 1.9533E+01 -4.1208E+00 H2 2103 1.008000 0.423800 -1.6020E-01 -1.8884E+01 -5.4878E+00 O6 2104 15.999400 -0.847600 1.1734E+00 -1.5071E+01 -2.1144E+00 H1 2105 1.008000 0.423800 8.3032E-01 -1.5237E+01 -1.1898E+00 H2 2106 1.008000 0.423800 4.5762E-01 -1.5286E+01 -2.7789E+00 O6 2107 15.999400 -0.847600 1.5412E+01 1.0682E+01 -8.5901E+00 H1 2108 1.008000 0.423800 1.5317E+01 9.7396E+00 -8.9116E+00 H2 2109 1.008000 0.423800 1.5471E+01 1.0689E+01 -7.5918E+00 O6 2110 15.999400 -0.847600 -1.7429E+01 -8.0901E+00 -1.7820E+01 H1 2111 1.008000 0.423800 -1.7181E+01 -7.3580E+00 -1.7185E+01 H2 2112 1.008000 0.423800 -1.8283E+01 -7.8551E+00 -1.8282E+01 O6 2113 15.999400 -0.847600 1.6876E+01 8.6623E+00 1.7750E+01 H1 2114 1.008000 0.423800 1.7249E+01 7.7418E+00 1.7633E+01 H2 2115 1.008000 0.423800 1.5890E+01 8.6459E+00 1.7586E+01 O6 2116 15.999400 -0.847600 -1.5270E+01 1.2669E+01 -1.7628E+01 H1 2117 1.008000 0.423800 -1.4654E+01 1.1882E+01 -1.7624E+01 H2 2118 1.008000 0.423800 -1.5555E+01 1.2865E+01 -1.8566E+01 O6 2119 15.999400 -0.847600 9.6722E+00 1.7443E+01 5.3910E+00 H1 2120 1.008000 0.423800 9.7777E+00 1.8221E+01 4.7714E+00 H2 2121 1.008000 0.423800 9.0268E+00 1.7681E+01 6.1170E+00 O6 2122 15.999400 -0.847600 -1.3317E+01 1.3456E+01 1.5800E+01 H1 2123 1.008000 0.423800 -1.2443E+01 1.3870E+01 1.6054E+01 H2 2124 1.008000 0.423800 -1.3282E+01 1.3165E+01 1.4844E+01 O6 2125 15.999400 -0.847600 7.3869E+00 9.4133E+00 -4.0690E+00 H1 2126 1.008000 0.423800 7.0879E+00 8.7755E+00 -3.3591E+00 H2 2127 1.008000 0.423800 7.9642E+00 8.9314E+00 -4.7282E+00 O6 2128 15.999400 -0.847600 -9.9953E+00 2.4680E-02 1.0603E+01 H1 2129 1.008000 0.423800 -9.4009E+00 -7.7250E-01 1.0709E+01 H2 2130 1.008000 0.423800 -9.8004E+00 6.8456E-01 1.1328E+01 O6 2131 15.999400 -0.847600 1.4397E+01 -1.1837E+01 -1.1819E+01 H1 2132 1.008000 0.423800 1.3976E+01 -1.1572E+01 -1.0952E+01 H2 2133 1.008000 0.423800 1.5316E+01 -1.1445E+01 -1.1877E+01 O6 2134 15.999400 -0.847600 -1.3384E+01 1.8368E+01 -4.9549E+00 H1 2135 1.008000 0.423800 -1.2521E+01 1.8455E+01 -5.4530E+00 H2 2136 1.008000 0.423800 -1.3534E+01 1.9188E+01 -4.4027E+00 O6 2137 15.999400 -0.847600 -6.9166E+00 9.3505E+00 -7.0880E-01 H1 2138 1.008000 0.423800 -6.1499E+00 9.6500E+00 -1.2767E+00 H2 2139 1.008000 0.423800 -7.3902E+00 1.0150E+01 -3.3955E-01 O6 2140 15.999400 -0.847600 6.8274E+00 -8.4449E+00 8.0909E+00 H1 2141 1.008000 0.423800 6.7839E+00 -8.7061E+00 9.0552E+00 H2 2142 1.008000 0.423800 5.9913E+00 -7.9572E+00 7.8396E+00 O6 2143 15.999400 -0.847600 1.7107E+01 1.5486E+01 -1.5732E+01 H1 2144 1.008000 0.423800 1.6170E+01 1.5389E+01 -1.5396E+01 H2 2145 1.008000 0.423800 1.7170E+01 1.6295E+01 -1.6316E+01 O6 2146 15.999400 -0.847600 2.4928E+00 -1.8564E+01 1.9076E-02 H1 2147 1.008000 0.423800 1.5656E+00 -1.8659E+01 -3.4331E-01 H2 2148 1.008000 0.423800 2.5030E+00 -1.7860E+01 7.2893E-01 O6 2149 15.999400 -0.847600 -2.8863E+00 1.7413E+01 -9.8366E+00 H1 2150 1.008000 0.423800 -2.9584E+00 1.6629E+01 -1.0453E+01 H2 2151 1.008000 0.423800 -2.4649E+00 1.8180E+01 -1.0321E+01 O6 2152 15.999400 -0.847600 4.6990E+00 1.0294E+00 1.0228E+01 H1 2153 1.008000 0.423800 4.9445E+00 1.8451E+00 9.7038E+00 H2 2154 1.008000 0.423800 4.6145E+00 2.4873E-01 9.6084E+00 O6 2155 15.999400 -0.847600 -6.4646E+00 -1.3241E+01 7.9627E+00 H1 2156 1.008000 0.423800 -6.6949E+00 -1.4151E+01 7.6183E+00 H2 2157 1.008000 0.423800 -5.4956E+00 -1.3213E+01 8.2078E+00 O6 2158 15.999400 -0.847600 -1.0428E+01 -1.4153E+01 1.8304E+01 H1 2159 1.008000 0.423800 -1.0772E+01 -1.4403E+01 1.9209E+01 H2 2160 1.008000 0.423800 -9.7189E+00 -1.4802E+01 1.8026E+01 O6 2161 15.999400 -0.847600 3.9547E-01 -1.9239E+00 -7.8527E+00 H1 2162 1.008000 0.423800 2.1270E-01 -9.5464E-01 -8.0172E+00 H2 2163 1.008000 0.423800 1.1520E+00 -2.0152E+00 -7.2051E+00 O6 2164 15.999400 -0.847600 -1.5605E+01 1.2460E+01 -3.9246E+00 H1 2165 1.008000 0.423800 -1.5218E+01 1.1648E+01 -4.3604E+00 H2 2166 1.008000 0.423800 -1.4887E+01 1.3143E+01 -3.7929E+00 O6 2167 15.999400 -0.847600 -1.9310E+01 -4.1512E+00 -1.8377E+01 H1 2168 1.008000 0.423800 1.9474E+01 -5.1010E+00 -1.8387E+01 H2 2169 1.008000 0.423800 -1.8564E+01 -4.0392E+00 -1.9032E+01 O6 2170 15.999400 -0.847600 -7.9710E+00 7.7499E+00 -1.8569E+01 H1 2171 1.008000 0.423800 -7.5679E+00 7.0418E+00 -1.9149E+01 H2 2172 1.008000 0.423800 -8.4753E+00 8.3994E+00 -1.9138E+01 O6 2173 15.999400 -0.847600 -4.8237E+00 7.7525E+00 3.5151E+00 H1 2174 1.008000 0.423800 -4.9555E+00 8.4699E+00 2.8311E+00 H2 2175 1.008000 0.423800 -4.7251E+00 8.1681E+00 4.4193E+00 O6 2176 15.999400 -0.847600 1.8086E+01 1.0590E+01 -1.0755E+01 H1 2177 1.008000 0.423800 1.8715E+01 1.0339E+01 -1.0019E+01 H2 2178 1.008000 0.423800 1.7147E+01 1.0564E+01 -1.0413E+01 O6 2179 15.999400 -0.847600 6.3371E+00 1.1028E+01 -5.9869E+00 H1 2180 1.008000 0.423800 6.5171E+00 1.0311E+01 -5.3141E+00 H2 2181 1.008000 0.423800 5.6718E+00 1.0698E+01 -6.6565E+00 O6 2182 15.999400 -0.847600 1.1562E+01 8.4986E+00 8.7825E+00 H1 2183 1.008000 0.423800 1.1542E+01 7.5464E+00 8.4774E+00 H2 2184 1.008000 0.423800 1.0626E+01 8.8278E+00 8.9072E+00 O6 2185 15.999400 -0.847600 -2.7058E+00 -1.4689E+01 -1.4684E+01 H1 2186 1.008000 0.423800 -2.2596E+00 -1.4972E+01 -1.5533E+01 H2 2187 1.008000 0.423800 -2.6455E+00 -1.3695E+01 -1.4592E+01 O6 2188 15.999400 -0.847600 7.6767E+00 1.5996E+01 2.7743E+00 H1 2189 1.008000 0.423800 8.3707E+00 1.6246E+01 3.4495E+00 H2 2190 1.008000 0.423800 8.0307E+00 1.5269E+01 2.1859E+00 O6 2191 15.999400 -0.847600 3.2750E+00 -1.7627E+00 1.8303E+01 H1 2192 1.008000 0.423800 3.2926E+00 -1.0094E+00 1.7646E+01 H2 2193 1.008000 0.423800 2.3264E+00 -1.9972E+00 1.8516E+01 O6 2194 15.999400 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-2.8043E-01 1.2930E+01 H2 2211 1.008000 0.423800 1.4766E+01 1.2661E-01 1.4483E+01 O6 2212 15.999400 -0.847600 1.3975E+01 1.6526E+00 1.0000E+01 H1 2213 1.008000 0.423800 1.3710E+01 2.1945E+00 1.0798E+01 H2 2214 1.008000 0.423800 1.3938E+01 6.8021E-01 1.0231E+01 O6 2215 15.999400 -0.847600 1.4891E+00 1.4269E+01 -1.7539E+01 H1 2216 1.008000 0.423800 1.3013E+00 1.3288E+01 -1.7587E+01 H2 2217 1.008000 0.423800 6.3311E-01 1.4766E+01 -1.7394E+01 O6 2218 15.999400 -0.847600 -1.0558E+01 -1.1538E+01 -9.8888E+00 H1 2219 1.008000 0.423800 -1.1428E+01 -1.1643E+01 -1.0370E+01 H2 2220 1.008000 0.423800 -1.0102E+01 -1.0705E+01 -1.0203E+01 O6 2221 15.999400 -0.847600 -1.7348E+01 9.4499E+00 -4.8563E-01 H1 2222 1.008000 0.423800 -1.6611E+01 9.8758E+00 4.0014E-02 H2 2223 1.008000 0.423800 -1.7066E+01 8.5348E+00 -7.7354E-01 O6 2224 15.999400 -0.847600 3.3853E+00 -1.4464E+01 -3.7928E+00 H1 2225 1.008000 0.423800 2.6118E+00 -1.4661E+01 -3.1906E+00 H2 2226 1.008000 0.423800 3.4790E+00 -1.3474E+01 -3.9010E+00 O6 2227 15.999400 -0.847600 3.4312E+00 -5.7264E+00 -1.3745E+01 H1 2228 1.008000 0.423800 3.5556E+00 -4.7590E+00 -1.3525E+01 H2 2229 1.008000 0.423800 4.3233E+00 -6.1764E+00 -1.3785E+01 O6 2230 15.999400 -0.847600 -1.2138E+01 9.8127E+00 2.3312E+00 H1 2231 1.008000 0.423800 -1.2168E+01 9.9196E+00 1.3373E+00 H2 2232 1.008000 0.423800 -1.2123E+01 8.8397E+00 2.5614E+00 O6 2233 15.999400 -0.847600 -1.5638E+01 1.2843E+01 4.6330E+00 H1 2234 1.008000 0.423800 -1.5183E+01 1.3172E+01 3.8052E+00 H2 2235 1.008000 0.423800 -1.6090E+01 1.1972E+01 4.4407E+00 O6 2236 15.999400 -0.847600 -1.0455E+01 -5.6305E+00 -1.2984E+01 H1 2237 1.008000 0.423800 -1.0455E+01 -6.1455E+00 -1.3842E+01 H2 2238 1.008000 0.423800 -9.9071E+00 -4.8014E+00 -1.3094E+01 O6 2239 15.999400 -0.847600 -8.2661E+00 -1.9344E+01 -8.3647E+00 H1 2240 1.008000 0.423800 -8.6104E+00 1.8867E+01 -8.6714E+00 H2 2241 1.008000 0.423800 -8.7150E+00 -1.9090E+01 -7.5079E+00 O6 2242 15.999400 -0.847600 1.5717E+01 1.1144E+01 3.2422E+00 H1 2243 1.008000 0.423800 1.5981E+01 1.0426E+01 2.5985E+00 H2 2244 1.008000 0.423800 1.4843E+01 1.0907E+01 3.6657E+00 O6 2245 15.999400 -0.847600 -1.0863E+01 -2.2190E+00 -6.1933E+00 H1 2246 1.008000 0.423800 -1.0628E+01 -1.4449E+00 -5.6051E+00 H2 2247 1.008000 0.423800 -1.0056E+01 -2.4973E+00 -6.7149E+00 O6 2248 15.999400 -0.847600 1.5879E+01 1.8884E+01 -8.9981E+00 H1 2249 1.008000 0.423800 1.6040E+01 1.8694E+01 -8.0296E+00 H2 2250 1.008000 0.423800 1.6073E+01 1.8063E+01 -9.5351E+00 O6 2251 15.999400 -0.847600 -5.3949E+00 -1.4360E+01 1.0691E+01 H1 2252 1.008000 0.423800 -4.7251E+00 -1.3938E+01 1.0080E+01 H2 2253 1.008000 0.423800 -6.2472E+00 -1.4519E+01 1.0192E+01 O6 2254 15.999400 -0.847600 1.2474E+01 -2.8097E+00 -7.8523E+00 H1 2255 1.008000 0.423800 1.3319E+01 -2.3522E+00 -8.1303E+00 H2 2256 1.008000 0.423800 1.1844E+01 -2.1378E+00 -7.4641E+00 O6 2257 15.999400 -0.847600 8.7098E-01 -1.0542E+01 -1.3321E+01 H1 2258 1.008000 0.423800 1.0998E+00 -9.7167E+00 -1.3837E+01 H2 2259 1.008000 0.423800 1.1315E+00 -1.0418E+01 -1.2363E+01 O6 2260 15.999400 -0.847600 -3.0427E+00 1.0362E+00 -1.6113E+01 H1 2261 1.008000 0.423800 -3.9907E+00 1.3214E+00 -1.5972E+01 H2 2262 1.008000 0.423800 -2.9739E+00 4.4130E-02 -1.6008E+01 O6 2263 15.999400 -0.847600 -1.5462E+01 1.9372E+01 -1.4823E+00 H1 2264 1.008000 0.423800 -1.4726E+01 -1.9385E+01 -8.9789E-01 H2 2265 1.008000 0.423800 -1.5601E+01 -1.9095E+01 -2.2459E+00 O6 2266 15.999400 -0.847600 1.7575E+01 2.3865E+00 -9.5422E+00 H1 2267 1.008000 0.423800 1.7205E+01 2.3519E+00 -8.6137E+00 H2 2268 1.008000 0.423800 1.6826E+01 2.4914E+00 -1.0196E+01 O6 2269 15.999400 -0.847600 1.5484E+01 1.8771E+01 1.6723E+01 H1 2270 1.008000 0.423800 1.5062E+01 1.8993E+01 1.5844E+01 H2 2271 1.008000 0.423800 1.6455E+01 1.9010E+01 1.6696E+01 O6 2272 15.999400 -0.847600 -5.1813E+00 1.4099E+01 1.3408E+01 H1 2273 1.008000 0.423800 -4.3242E+00 1.3972E+01 1.2909E+01 H2 2274 1.008000 0.423800 -5.2666E+00 1.5055E+01 1.3686E+01 O6 2275 15.999400 -0.847600 1.6689E+01 -1.9393E+01 -1.4743E+01 H1 2276 1.008000 0.423800 1.7207E+01 -1.9103E+01 -1.3938E+01 H2 2277 1.008000 0.423800 1.7322E+01 1.9386E+01 -1.5449E+01 O6 2278 15.999400 -0.847600 -5.5126E+00 1.6384E+01 1.0815E+01 H1 2279 1.008000 0.423800 -5.9890E+00 1.6337E+01 1.1693E+01 H2 2280 1.008000 0.423800 -4.6098E+00 1.5963E+01 1.0903E+01 O6 2281 15.999400 -0.847600 -1.2382E+01 1.6738E+01 -1.8032E+01 H1 2282 1.008000 0.423800 -1.2580E+01 1.7118E+01 -1.8936E+01 H2 2283 1.008000 0.423800 -1.3239E+01 1.6515E+01 -1.7569E+01 O6 2284 15.999400 -0.847600 -1.5907E+01 7.2358E+00 -1.7686E+01 H1 2285 1.008000 0.423800 -1.6565E+01 6.4844E+00 -1.7735E+01 H2 2286 1.008000 0.423800 -1.4999E+01 6.9007E+00 -1.7938E+01 O6 2287 15.999400 -0.847600 1.9185E+01 1.0289E+01 -1.3369E+01 H1 2288 1.008000 0.423800 1.8495E+01 1.0625E+01 -1.4011E+01 H2 2289 1.008000 0.423800 1.8755E+01 1.0102E+01 -1.2486E+01 O6 2290 15.999400 -0.847600 1.6129E+01 -1.3977E+01 -9.3302E+00 H1 2291 1.008000 0.423800 1.5576E+01 -1.4810E+01 -9.3600E+00 H2 2292 1.008000 0.423800 1.6130E+01 -1.3546E+01 -1.0232E+01 O6 2293 15.999400 -0.847600 2.0980E-01 -1.7725E+01 1.2596E+01 H1 2294 1.008000 0.423800 -3.6245E-01 -1.8545E+01 1.2597E+01 H2 2295 1.008000 0.423800 8.1886E-01 -1.7741E+01 1.3389E+01 O6 2296 15.999400 -0.847600 -4.5781E+00 -1.2323E+01 4.0211E+00 H1 2297 1.008000 0.423800 -5.3481E+00 -1.2264E+01 3.3859E+00 H2 2298 1.008000 0.423800 -4.5683E+00 -1.1515E+01 4.6096E+00 O6 2299 15.999400 -0.847600 1.2796E+01 -1.5908E+01 -1.1994E+01 H1 2300 1.008000 0.423800 1.1996E+01 -1.5308E+01 -1.1983E+01 H2 2301 1.008000 0.423800 1.2540E+01 -1.6811E+01 -1.1649E+01 O6 2302 15.999400 -0.847600 -1.2035E+01 3.1228E+00 6.6323E+00 H1 2303 1.008000 0.423800 -1.1900E+01 2.6990E+00 7.5279E+00 H2 2304 1.008000 0.423800 -1.1154E+01 3.2073E+00 6.1670E+00 O6 2305 15.999400 -0.847600 4.9171E+00 8.1921E+00 2.0146E+00 H1 2306 1.008000 0.423800 4.4523E+00 7.3295E+00 2.2143E+00 H2 2307 1.008000 0.423800 5.8844E+00 8.1130E+00 2.2554E+00 O6 2308 15.999400 -0.847600 -9.0014E+00 1.4112E+01 1.9509E+01 H1 2309 1.008000 0.423800 -8.7512E+00 1.4021E+01 -1.8625E+01 H2 2310 1.008000 0.423800 -8.4717E+00 1.3462E+01 1.8964E+01 O6 2311 15.999400 -0.847600 5.5686E+00 -1.3107E+01 -7.8297E+00 H1 2312 1.008000 0.423800 6.1345E+00 -1.3824E+01 -7.4233E+00 H2 2313 1.008000 0.423800 5.1430E+00 -1.3452E+01 -8.6662E+00 O6 2314 15.999400 -0.847600 -7.9241E+00 3.9724E-01 1.2518E+01 H1 2315 1.008000 0.423800 -7.1570E+00 6.0347E-02 1.3064E+01 H2 2316 1.008000 0.423800 -8.0404E+00 1.3778E+00 1.2676E+01 O6 2317 15.999400 -0.847600 -5.3748E+00 -9.3255E+00 4.4763E+00 H1 2318 1.008000 0.423800 -5.9559E+00 -9.5487E+00 3.6937E+00 H2 2319 1.008000 0.423800 -5.9400E+00 -9.2362E+00 5.2964E+00 O6 2320 15.999400 -0.847600 -5.9610E+00 -5.2353E+00 1.6133E+01 H1 2321 1.008000 0.423800 -6.5844E+00 -5.5370E+00 1.5412E+01 H2 2322 1.008000 0.423800 -6.1699E+00 -5.7242E+00 1.6980E+01 O6 2323 15.999400 -0.847600 3.3162E+00 1.4074E+00 -9.3635E+00 H1 2324 1.008000 0.423800 3.1471E+00 1.3849E+00 -8.3781E+00 H2 2325 1.008000 0.423800 3.6126E+00 5.0331E-01 -9.6714E+00 O6 2326 15.999400 -0.847600 -4.8238E+00 -1.6256E+01 -2.4164E-01 H1 2327 1.008000 0.423800 -4.4182E+00 -1.6101E+01 -1.1424E+00 H2 2328 1.008000 0.423800 -5.8183E+00 -1.6313E+01 -3.2933E-01 O6 2329 15.999400 -0.847600 -2.6979E+00 5.0089E+00 1.4754E+01 H1 2330 1.008000 0.423800 -3.0783E+00 5.8808E+00 1.4446E+01 H2 2331 1.008000 0.423800 -3.1278E+00 4.2606E+00 1.4249E+01 O6 2332 15.999400 -0.847600 -1.5775E+01 -9.2493E+00 5.5068E-01 H1 2333 1.008000 0.423800 -1.4863E+01 -8.8944E+00 7.6049E-01 H2 2334 1.008000 0.423800 -1.6335E+01 -8.5191E+00 1.5923E-01 O6 2335 15.999400 -0.847600 -3.1627E+00 -4.6408E-01 6.3897E+00 H1 2336 1.008000 0.423800 -2.4946E+00 -1.0606E+00 5.9448E+00 H2 2337 1.008000 0.423800 -2.6885E+00 3.0166E-01 6.8242E+00 O6 2338 15.999400 -0.847600 8.1175E+00 1.0904E+01 -1.9425E+01 H1 2339 1.008000 0.423800 8.8477E+00 1.1156E+01 1.9037E+01 H2 2340 1.008000 0.423800 8.4907E+00 1.0830E+01 -1.8500E+01 O6 2341 15.999400 -0.847600 -1.6254E+01 -2.4603E+00 8.6122E+00 H1 2342 1.008000 0.423800 -1.5884E+01 -3.1929E+00 9.1835E+00 H2 2343 1.008000 0.423800 -1.5636E+01 -1.6746E+00 8.6361E+00 O6 2344 15.999400 -0.847600 -1.5218E+01 1.0291E+01 1.4170E+01 H1 2345 1.008000 0.423800 -1.4688E+01 1.0919E+01 1.3601E+01 H2 2346 1.008000 0.423800 -1.4869E+01 1.0315E+01 1.5107E+01 O6 2347 15.999400 -0.847600 -1.5363E+01 -1.3436E+01 -4.8879E+00 H1 2348 1.008000 0.423800 -1.5020E+01 -1.3627E+01 -5.8076E+00 H2 2349 1.008000 0.423800 -1.5052E+01 -1.2532E+01 -4.5970E+00 O6 2350 15.999400 -0.847600 -1.3409E+01 3.8163E+00 4.5355E+00 H1 2351 1.008000 0.423800 -1.2881E+01 3.4228E+00 5.2878E+00 H2 2352 1.008000 0.423800 -1.3474E+01 4.8069E+00 4.6559E+00 O6 2353 15.999400 -0.847600 1.7586E+01 -5.2348E+00 -1.3064E+01 H1 2354 1.008000 0.423800 1.7226E+01 -4.6061E+00 -1.3753E+01 H2 2355 1.008000 0.423800 1.8569E+01 -5.3545E+00 -1.3204E+01 O6 2356 15.999400 -0.847600 -2.3280E+00 -2.9611E+00 -9.4668E+00 H1 2357 1.008000 0.423800 -2.5397E+00 -2.0067E+00 -9.6775E+00 H2 2358 1.008000 0.423800 -1.8099E+00 -3.0069E+00 -8.6128E+00 O6 2359 15.999400 -0.847600 -1.8680E+01 1.7625E+01 1.3471E+01 H1 2360 1.008000 0.423800 -1.9376E+01 1.7061E+01 1.3915E+01 H2 2361 1.008000 0.423800 -1.9117E+01 1.8416E+01 1.3042E+01 O6 2362 15.999400 -0.847600 -4.4522E+00 1.4827E+01 9.5265E-01 H1 2363 1.008000 0.423800 -5.4163E+00 1.5055E+01 8.1589E-01 H2 2364 1.008000 0.423800 -3.8909E+00 1.5636E+01 7.8162E-01 O6 2365 15.999400 -0.847600 -1.8099E+01 3.0239E+00 -1.5590E+01 H1 2366 1.008000 0.423800 -1.8881E+01 3.1388E+00 -1.4978E+01 H2 2367 1.008000 0.423800 -1.7806E+01 2.0678E+00 -1.5580E+01 O6 2368 15.999400 -0.847600 1.2583E+00 -1.6453E+01 5.8745E+00 H1 2369 1.008000 0.423800 1.2437E+00 -1.5510E+01 5.5428E+00 H2 2370 1.008000 0.423800 2.1656E+00 -1.6846E+01 5.7233E+00 O6 2371 15.999400 -0.847600 -5.1759E+00 5.8220E+00 1.3546E+01 H1 2372 1.008000 0.423800 -5.4627E+00 6.0783E+00 1.2623E+01 H2 2373 1.008000 0.423800 -5.4408E+00 6.5406E+00 1.4189E+01 O6 2374 15.999400 -0.847600 2.7511E-01 -1.3537E+00 3.3686E+00 H1 2375 1.008000 0.423800 2.7357E-01 -2.0332E+00 2.6348E+00 H2 2376 1.008000 0.423800 1.1879E+00 -9.5365E-01 3.4503E+00 O6 2377 15.999400 -0.847600 -7.7618E+00 1.5166E+01 1.5092E+01 H1 2378 1.008000 0.423800 -8.0340E+00 1.4312E+01 1.4647E+01 H2 2379 1.008000 0.423800 -7.1862E+00 1.5697E+01 1.4470E+01 O6 2380 15.999400 -0.847600 -8.7298E+00 -1.4050E+01 -1.7616E+01 H1 2381 1.008000 0.423800 -8.7604E+00 -1.4576E+01 -1.6766E+01 H2 2382 1.008000 0.423800 -9.6559E+00 -1.3769E+01 -1.7867E+01 O6 2383 15.999400 -0.847600 1.3406E+01 -1.7353E+01 4.3912E+00 H1 2384 1.008000 0.423800 1.4200E+01 -1.7875E+01 4.0790E+00 H2 2385 1.008000 0.423800 1.3016E+01 -1.6848E+01 3.6213E+00 O6 2386 15.999400 -0.847600 1.1052E+01 1.8452E+00 1.0123E+01 H1 2387 1.008000 0.423800 1.1178E+01 1.7579E+00 1.1111E+01 H2 2388 1.008000 0.423800 1.1518E+01 1.0914E+00 9.6596E+00 O6 2389 15.999400 -0.847600 -1.8479E+01 1.8716E+01 1.2642E-02 H1 2390 1.008000 0.423800 -1.8328E+01 1.7738E+01 1.5646E-01 H2 2391 1.008000 0.423800 -1.7681E+01 1.9114E+01 -4.3890E-01 O6 2392 15.999400 -0.847600 2.4704E+00 1.9399E+00 -2.7994E+00 H1 2393 1.008000 0.423800 1.5439E+00 1.7940E+00 -2.4524E+00 H2 2394 1.008000 0.423800 2.5834E+00 2.9002E+00 -3.0542E+00 O6 2395 15.999400 -0.847600 1.0049E+01 1.6655E+00 -4.5967E+00 H1 2396 1.008000 0.423800 1.0874E+01 2.1514E+00 -4.8854E+00 H2 2397 1.008000 0.423800 1.0264E+01 6.9955E-01 -4.4533E+00 O6 2398 15.999400 -0.847600 -1.5802E+01 7.6111E+00 -3.8118E+00 H1 2399 1.008000 0.423800 -1.4844E+01 7.8013E+00 -3.5994E+00 H2 2400 1.008000 0.423800 -1.6079E+01 8.1458E+00 -4.6103E+00 O6 2401 15.999400 -0.847600 -1.2940E+01 3.6942E+00 -1.3189E+00 H1 2402 1.008000 0.423800 -1.3815E+01 4.1775E+00 -1.3516E+00 H2 2403 1.008000 0.423800 -1.3029E+01 2.8816E+00 -7.4290E-01 O6 2404 15.999400 -0.847600 -1.1928E+01 4.9391E+00 1.6458E+00 H1 2405 1.008000 0.423800 -1.2174E+01 5.3034E+00 2.5441E+00 H2 2406 1.008000 0.423800 -1.2509E+01 4.1533E+00 1.4347E+00 O6 2407 15.999400 -0.847600 -1.4469E+01 1.1822E+01 -1.4424E+01 H1 2408 1.008000 0.423800 -1.3808E+01 1.1686E+01 -1.5162E+01 H2 2409 1.008000 0.423800 -1.4760E+01 1.0934E+01 -1.4069E+01 O6 2410 15.999400 -0.847600 -1.3337E+01 5.4105E-01 -9.3569E+00 H1 2411 1.008000 0.423800 -1.3895E+01 1.8546E-01 -1.0106E+01 H2 2412 1.008000 0.423800 -1.3771E+01 3.1998E-01 -8.4837E+00 O6 2413 15.999400 -0.847600 1.9471E+01 2.8161E+00 1.1972E+01 H1 2414 1.008000 0.423800 1.8751E+01 2.2510E+00 1.2374E+01 H2 2415 1.008000 0.423800 -1.9454E+01 2.5190E+00 1.1033E+01 O6 2416 15.999400 -0.847600 4.1258E+00 -5.6911E+00 3.6209E+00 H1 2417 1.008000 0.423800 5.0189E+00 -5.7784E+00 3.1795E+00 H2 2418 1.008000 0.423800 3.8599E+00 -4.7275E+00 3.6472E+00 O6 2419 15.999400 -0.847600 1.4235E+01 -7.4285E+00 2.6235E+00 H1 2420 1.008000 0.423800 1.4455E+01 -7.9338E+00 1.7890E+00 H2 2421 1.008000 0.423800 1.5005E+01 -7.4842E+00 3.2594E+00 O6 2422 15.999400 -0.847600 -8.5196E+00 -1.2708E+01 9.5391E+00 H1 2423 1.008000 0.423800 -7.7353E+00 -1.2724E+01 8.9188E+00 H2 2424 1.008000 0.423800 -9.3535E+00 -1.2528E+01 9.0173E+00 O6 2425 15.999400 -0.847600 -1.6919E+01 3.3629E+00 -6.8013E+00 H1 2426 1.008000 0.423800 -1.7387E+01 3.2359E+00 -5.9266E+00 H2 2427 1.008000 0.423800 -1.7546E+01 3.1429E+00 -7.5491E+00 O6 2428 15.999400 -0.847600 1.7987E+01 -1.2730E+01 1.2185E+01 H1 2429 1.008000 0.423800 1.7811E+01 -1.2794E+01 1.3167E+01 H2 2430 1.008000 0.423800 1.8796E+01 -1.3272E+01 1.1955E+01 O6 2431 15.999400 -0.847600 1.7330E+01 5.8233E+00 -4.9495E-01 H1 2432 1.008000 0.423800 1.8053E+01 6.5116E+00 -4.3930E-01 H2 2433 1.008000 0.423800 1.7609E+01 5.0050E+00 7.4610E-03 O6 2434 15.999400 -0.847600 1.6217E+01 -7.0688E+00 4.4452E+00 H1 2435 1.008000 0.423800 1.6998E+01 -7.6892E+00 4.5220E+00 H2 2436 1.008000 0.423800 1.5628E+01 -7.1739E+00 5.2463E+00 O6 2437 15.999400 -0.847600 -1.4011E+01 -1.4648E+01 -1.9492E+01 H1 2438 1.008000 0.423800 -1.4451E+01 -1.4692E+01 -1.8595E+01 H2 2439 1.008000 0.423800 -1.4078E+01 -1.5540E+01 1.9158E+01 O6 2440 15.999400 -0.847600 1.7502E+01 -3.7293E+00 1.7713E+01 H1 2441 1.008000 0.423800 1.8069E+01 -4.4435E+00 1.7303E+01 H2 2442 1.008000 0.423800 1.6785E+01 -3.4626E+00 1.7069E+01 O6 2443 15.999400 -0.847600 8.1055E-01 1.1274E+01 -1.8434E+01 H1 2444 1.008000 0.423800 2.2156E-01 1.0562E+01 -1.8817E+01 H2 2445 1.008000 0.423800 1.0485E+00 1.1038E+01 -1.7492E+01 O6 2446 15.999400 -0.847600 1.3399E+01 -7.4761E-01 1.1698E+01 H1 2447 1.008000 0.423800 1.2546E+01 -2.6924E-01 1.1909E+01 H2 2448 1.008000 0.423800 1.3192E+01 -1.6044E+00 1.1226E+01 O6 2449 15.999400 -0.847600 -1.5026E+01 -1.7229E+01 -1.3098E+01 H1 2450 1.008000 0.423800 -1.5855E+01 -1.7218E+01 -1.2539E+01 H2 2451 1.008000 0.423800 -1.4765E+01 -1.6291E+01 -1.3326E+01 O6 2452 15.999400 -0.847600 1.5687E+01 4.2840E+00 -6.7587E+00 H1 2453 1.008000 0.423800 1.5872E+01 4.9775E+00 -7.4551E+00 H2 2454 1.008000 0.423800 1.6289E+01 3.4984E+00 -6.9031E+00 O6 2455 15.999400 -0.847600 -1.3280E+01 7.3444E+00 -9.0671E+00 H1 2456 1.008000 0.423800 -1.3628E+01 8.2803E+00 -9.0109E+00 H2 2457 1.008000 0.423800 -1.2299E+01 7.3642E+00 -9.2555E+00 O6 2458 15.999400 -0.847600 4.9478E+00 -1.9324E+01 9.2592E+00 H1 2459 1.008000 0.423800 5.7442E+00 1.9350E+01 9.6913E+00 H2 2460 1.008000 0.423800 4.1428E+00 -1.9462E+01 9.8362E+00 O6 2461 15.999400 -0.847600 -1.0944E+01 4.8825E+00 -1.3859E+01 H1 2462 1.008000 0.423800 -1.1769E+01 5.4358E+00 -1.3972E+01 H2 2463 1.008000 0.423800 -1.1124E+01 4.1454E+00 -1.3207E+01 O6 2464 15.999400 -0.847600 1.5185E+01 1.5800E+01 -4.5971E+00 H1 2465 1.008000 0.423800 1.4594E+01 1.5832E+01 -3.7912E+00 H2 2466 1.008000 0.423800 1.6142E+01 1.5822E+01 -4.3091E+00 O6 2467 15.999400 -0.847600 -1.0968E+01 -1.7239E+01 -1.6931E+01 H1 2468 1.008000 0.423800 -1.1073E+01 -1.7931E+01 -1.6216E+01 H2 2469 1.008000 0.423800 -1.0606E+01 -1.6398E+01 -1.6530E+01 O6 2470 15.999400 -0.847600 1.6955E+01 9.2276E+00 1.5537E+00 H1 2471 1.008000 0.423800 1.6921E+01 9.9661E+00 8.8015E-01 H2 2472 1.008000 0.423800 1.7608E+01 8.5321E+00 1.2532E+00 O6 2473 15.999400 -0.847600 -6.7751E-01 1.5952E+01 -6.0944E+00 H1 2474 1.008000 0.423800 -5.0511E-01 1.5839E+01 -5.1158E+00 H2 2475 1.008000 0.423800 1.9312E-01 1.6043E+01 -6.5779E+00 O6 2476 15.999400 -0.847600 -5.0183E+00 -4.2275E+00 -7.5085E+00 H1 2477 1.008000 0.423800 -5.3837E+00 -4.9933E+00 -8.0376E+00 H2 2478 1.008000 0.423800 -5.0572E+00 -3.3935E+00 -8.0589E+00 O6 2479 15.999400 -0.847600 5.6596E-01 1.7277E+01 1.5154E+01 H1 2480 1.008000 0.423800 6.1122E-01 1.6479E+01 1.5754E+01 H2 2481 1.008000 0.423800 4.5339E-02 1.8003E+01 1.5603E+01 O6 2482 15.999400 -0.847600 -8.3342E+00 1.5632E+01 -6.4703E+00 H1 2483 1.008000 0.423800 -8.4354E+00 1.6520E+01 -6.9205E+00 H2 2484 1.008000 0.423800 -9.1248E+00 1.5058E+01 -6.6835E+00 O6 2485 15.999400 -0.847600 1.5503E+01 1.0934E+01 -1.9539E+01 H1 2486 1.008000 0.423800 1.6085E+01 1.0317E+01 1.9028E+01 H2 2487 1.008000 0.423800 1.6054E+01 1.1690E+01 -1.9187E+01 O6 2488 15.999400 -0.847600 -5.8174E+00 -8.3394E+00 -3.2920E+00 H1 2489 1.008000 0.423800 -5.3416E+00 -7.7155E+00 -2.6720E+00 H2 2490 1.008000 0.423800 -5.8964E+00 -9.2393E+00 -2.8633E+00 O6 2491 15.999400 -0.847600 -5.8450E+00 7.5209E+00 -6.1682E+00 H1 2492 1.008000 0.423800 -6.4587E+00 8.2187E+00 -5.7987E+00 H2 2493 1.008000 0.423800 -6.3814E+00 6.7370E+00 -6.4808E+00 O6 2494 15.999400 -0.847600 2.1486E+00 -1.2860E+01 -9.0984E+00 H1 2495 1.008000 0.423800 2.8544E+00 -1.3512E+01 -9.3754E+00 H2 2496 1.008000 0.423800 2.4184E+00 -1.2421E+01 -8.2415E+00 O6 2497 15.999400 -0.847600 -8.8011E+00 -7.2460E+00 1.2051E+01 H1 2498 1.008000 0.423800 -8.2225E+00 -6.6967E+00 1.1448E+01 H2 2499 1.008000 0.423800 -8.8249E+00 -8.1897E+00 1.1722E+01 O6 2500 15.999400 -0.847600 -6.8897E-01 4.1192E+00 1.1448E+01 H1 2501 1.008000 0.423800 8.1029E-02 3.5741E+00 1.1780E+01 H2 2502 1.008000 0.423800 -1.5060E+00 3.9012E+00 1.1982E+01 O6 2503 15.999400 -0.847600 -2.7343E+00 -4.5645E+00 -1.4458E+01 H1 2504 1.008000 0.423800 -1.8165E+00 -4.9386E+00 -1.4324E+01 H2 2505 1.008000 0.423800 -2.7785E+00 -4.0981E+00 -1.5341E+01 O6 2506 15.999400 -0.847600 -2.7337E+00 8.2161E+00 -4.6591E-02 H1 2507 1.008000 0.423800 -3.6531E+00 7.9697E+00 2.6013E-01 H2 2508 1.008000 0.423800 -2.2732E+00 8.7412E+00 6.6907E-01 O6 2509 15.999400 -0.847600 1.7189E+01 -9.2669E+00 -1.9339E+01 H1 2510 1.008000 0.423800 1.7599E+01 -1.0121E+01 1.9439E+01 H2 2511 1.008000 0.423800 1.6261E+01 -9.4449E+00 -1.9011E+01 O6 2512 15.999400 -0.847600 -4.4658E+00 1.8189E+01 1.8685E+01 H1 2513 1.008000 0.423800 -3.8749E+00 1.8988E+01 1.8578E+01 H2 2514 1.008000 0.423800 -5.1623E+00 1.8191E+01 1.7968E+01 O6 2515 15.999400 -0.847600 -1.4455E+00 -1.3020E+01 -5.7370E+00 H1 2516 1.008000 0.423800 -5.9328E-01 -1.2534E+01 -5.9311E+00 H2 2517 1.008000 0.423800 -1.2938E+00 -1.4005E+01 -5.8191E+00 O6 2518 15.999400 -0.847600 1.3130E+01 -6.6440E+00 -5.2665E+00 H1 2519 1.008000 0.423800 1.3841E+01 -6.8603E+00 -4.5973E+00 H2 2520 1.008000 0.423800 1.2370E+01 -7.2865E+00 -5.1653E+00 O6 2521 15.999400 -0.847600 -1.4795E+01 -1.6706E+01 7.7470E+00 H1 2522 1.008000 0.423800 -1.3846E+01 -1.6828E+01 8.0366E+00 H2 2523 1.008000 0.423800 -1.5367E+01 -1.6526E+01 8.5472E+00 O6 2524 15.999400 -0.847600 1.8724E+01 -7.7886E+00 -8.3895E+00 H1 2525 1.008000 0.423800 1.7960E+01 -7.9269E+00 -9.0206E+00 H2 2526 1.008000 0.423800 1.8801E+01 -6.8165E+00 -8.1683E+00 O6 2527 15.999400 -0.847600 -1.5537E+01 -3.5002E+00 -2.3907E+00 H1 2528 1.008000 0.423800 -1.6296E+01 -3.5432E+00 -1.7413E+00 H2 2529 1.008000 0.423800 -1.5701E+01 -4.1424E+00 -3.1392E+00 O6 2530 15.999400 -0.847600 8.2107E+00 -7.2120E+00 -1.3682E+00 H1 2531 1.008000 0.423800 7.6067E+00 -6.4943E+00 -1.7148E+00 H2 2532 1.008000 0.423800 7.8394E+00 -8.1075E+00 -1.6136E+00 O6 2533 15.999400 -0.847600 7.9887E-01 1.4509E+01 1.6548E+01 H1 2534 1.008000 0.423800 1.6199E+00 1.4008E+01 1.6276E+01 H2 2535 1.008000 0.423800 7.4438E-01 1.4542E+01 1.7546E+01 O6 2536 15.999400 -0.847600 -2.3043E+00 1.2681E+00 1.8901E+01 H1 2537 1.008000 0.423800 -2.8896E+00 4.6785E-01 1.8771E+01 H2 2538 1.008000 0.423800 -2.5705E+00 1.9844E+00 1.8256E+01 O6 2539 15.999400 -0.847600 1.3370E+01 1.1650E+01 1.0240E+01 H1 2540 1.008000 0.423800 1.3189E+01 1.1394E+01 1.1189E+01 H2 2541 1.008000 0.423800 1.2504E+01 1.1725E+01 9.7445E+00 O6 2542 15.999400 -0.847600 -1.4569E+01 7.1274E+00 2.0520E+00 H1 2543 1.008000 0.423800 -1.5424E+01 6.7381E+00 1.7092E+00 H2 2544 1.008000 0.423800 -1.3803E+01 6.7748E+00 1.5144E+00 O6 2545 15.999400 -0.847600 -3.0275E+00 -1.3383E+01 -9.6699E+00 H1 2546 1.008000 0.423800 -2.0672E+00 -1.3157E+01 -9.8340E+00 H2 2547 1.008000 0.423800 -3.6064E+00 -1.2835E+01 -1.0274E+01 O6 2548 15.999400 -0.847600 -1.6429E+01 -1.7908E+01 -3.2683E+00 H1 2549 1.008000 0.423800 -1.5605E+01 -1.7453E+01 -3.6054E+00 H2 2550 1.008000 0.423800 -1.7106E+01 -1.7221E+01 -3.0066E+00 O6 2551 15.999400 -0.847600 9.0442E+00 -5.2230E+00 1.0250E+01 H1 2552 1.008000 0.423800 9.6679E+00 -5.9804E+00 1.0056E+01 H2 2553 1.008000 0.423800 8.8267E+00 -4.7449E+00 9.3986E+00 O6 2554 15.999400 -0.847600 -8.6121E-01 -9.6884E+00 6.1277E+00 H1 2555 1.008000 0.423800 -7.6588E-01 -9.1871E+00 6.9878E+00 H2 2556 1.008000 0.423800 -1.9844E-03 -9.6424E+00 5.6182E+00 O6 2557 15.999400 -0.847600 -1.7183E+01 -1.7323E+01 -1.5721E+01 H1 2558 1.008000 0.423800 -1.7398E+01 -1.8191E+01 -1.5274E+01 H2 2559 1.008000 0.423800 -1.6366E+01 -1.6926E+01 -1.5303E+01 O6 2560 15.999400 -0.847600 2.6831E+00 -1.8745E+01 -4.8641E+00 H1 2561 1.008000 0.423800 3.1117E+00 -1.8697E+01 -3.9619E+00 H2 2562 1.008000 0.423800 1.7176E+00 -1.8496E+01 -4.7882E+00 O6 2563 15.999400 -0.847600 -5.3292E+00 -1.8142E+01 1.4023E+01 H1 2564 1.008000 0.423800 -6.0566E+00 -1.8766E+01 1.3738E+01 H2 2565 1.008000 0.423800 -4.8912E+00 -1.7749E+01 1.3215E+01 O6 2566 15.999400 -0.847600 5.2925E-01 -7.9556E+00 -1.9505E+00 H1 2567 1.008000 0.423800 -1.0645E-01 -7.8321E+00 -2.7125E+00 H2 2568 1.008000 0.423800 4.6317E-01 -8.8935E+00 -1.6100E+00 O6 2569 15.999400 -0.847600 -2.7404E+00 1.1638E+01 -7.6912E+00 H1 2570 1.008000 0.423800 -2.4298E+00 1.2306E+01 -7.0139E+00 H2 2571 1.008000 0.423800 -1.9897E+00 1.1017E+01 -7.9153E+00 O6 2572 15.999400 -0.847600 7.3573E+00 -1.1002E+01 6.7506E+00 H1 2573 1.008000 0.423800 7.2106E+00 -1.0140E+01 7.2344E+00 H2 2574 1.008000 0.423800 8.1613E+00 -1.1463E+01 7.1268E+00 O6 2575 15.999400 -0.847600 -1.8795E+01 -2.0493E+00 5.3737E-01 H1 2576 1.008000 0.423800 1.9464E+01 -1.7800E+00 6.3656E-02 H2 2577 1.008000 0.423800 -1.8863E+01 -1.7985E+00 1.5030E+00 O6 2578 15.999400 -0.847600 -1.0831E+01 6.5892E+00 -1.7929E+01 H1 2579 1.008000 0.423800 -1.0117E+01 6.0916E+00 -1.7435E+01 H2 2580 1.008000 0.423800 -1.0583E+01 6.6567E+00 -1.8895E+01 O6 2581 15.999400 -0.847600 1.1666E+01 9.4072E+00 1.8546E+01 H1 2582 1.008000 0.423800 1.1668E+01 1.0076E+01 1.9290E+01 H2 2583 1.008000 0.423800 1.0997E+01 8.6905E+00 1.8745E+01 O6 2584 15.999400 -0.847600 -1.4980E+01 8.1360E-01 1.7152E+01 H1 2585 1.008000 0.423800 -1.5919E+01 4.6950E-01 1.7139E+01 H2 2586 1.008000 0.423800 -1.4969E+01 1.7377E+00 1.7534E+01 O6 2587 15.999400 -0.847600 -1.7855E+01 -4.7942E+00 1.5192E+01 H1 2588 1.008000 0.423800 -1.7391E+01 -3.9383E+00 1.4964E+01 H2 2589 1.008000 0.423800 -1.7918E+01 -5.3672E+00 1.4374E+01 O6 2590 15.999400 -0.847600 -1.2842E+01 1.1529E+01 -1.6663E+01 H1 2591 1.008000 0.423800 -1.2533E+01 1.0781E+01 -1.7251E+01 H2 2592 1.008000 0.423800 -1.2351E+01 1.2366E+01 -1.6903E+01 O6 2593 15.999400 -0.847600 -5.1794E+00 8.2647E+00 1.1862E+01 H1 2594 1.008000 0.423800 -4.2487E+00 7.9844E+00 1.2098E+01 H2 2595 1.008000 0.423800 -5.2529E+00 8.3780E+00 1.0872E+01 O6 2596 15.999400 -0.847600 -1.2531E+00 9.7235E-01 7.5312E+00 H1 2597 1.008000 0.423800 -6.3768E-01 1.6722E+00 7.1684E+00 H2 2598 1.008000 0.423800 -1.5179E+00 1.2132E+00 8.4650E+00 O6 2599 15.999400 -0.847600 1.1912E+01 4.1391E+00 -1.9914E+00 H1 2600 1.008000 0.423800 1.2878E+01 4.1429E+00 -1.7341E+00 H2 2601 1.008000 0.423800 1.1404E+01 3.5403E+00 -1.3718E+00 O6 2602 15.999400 -0.847600 -1.7427E+00 -1.9504E+01 1.2776E+01 H1 2603 1.008000 0.423800 -2.1296E+00 -1.9209E+01 1.3649E+01 H2 2604 1.008000 0.423800 -1.6031E+00 1.8603E+01 1.2791E+01 O6 2605 15.999400 -0.847600 -1.4677E+01 1.6166E+01 -8.1509E+00 H1 2606 1.008000 0.423800 -1.4738E+01 1.5404E+01 -7.5069E+00 H2 2607 1.008000 0.423800 -1.5053E+01 1.6991E+01 -7.7280E+00 O6 2608 15.999400 -0.847600 -1.1843E+01 2.0744E+00 1.1675E+01 H1 2609 1.008000 0.423800 -1.2194E+01 1.4863E+00 1.0946E+01 H2 2610 1.008000 0.423800 -1.1723E+01 1.5358E+00 1.2509E+01 O6 2611 15.999400 -0.847600 5.4666E+00 1.0947E+01 -9.4155E+00 H1 2612 1.008000 0.423800 5.7336E+00 1.1898E+01 -9.2582E+00 H2 2613 1.008000 0.423800 5.1331E+00 1.0549E+01 -8.5610E+00 O6 2614 15.999400 -0.847600 7.5883E+00 -5.0562E+00 -1.7430E+01 H1 2615 1.008000 0.423800 8.4442E+00 -4.8824E+00 -1.6942E+01 H2 2616 1.008000 0.423800 7.3155E+00 -6.0087E+00 -1.7294E+01 O6 2617 15.999400 -0.847600 -3.1709E+00 1.2768E+01 -1.0141E+01 H1 2618 1.008000 0.423800 -3.0275E+00 1.2459E+01 -9.2004E+00 H2 2619 1.008000 0.423800 -2.3181E+00 1.2678E+01 -1.0655E+01 O6 2620 15.999400 -0.847600 -2.5682E-01 1.6094E+01 4.4683E+00 H1 2621 1.008000 0.423800 -9.6052E-02 1.5700E+01 3.5634E+00 H2 2622 1.008000 0.423800 2.1958E-01 1.5550E+01 5.1585E+00 O6 2623 15.999400 -0.847600 7.4426E+00 1.5163E+01 -3.4010E+00 H1 2624 1.008000 0.423800 7.7296E+00 1.5098E+01 -2.4453E+00 H2 2625 1.008000 0.423800 7.7555E+00 1.6032E+01 -3.7841E+00 O6 2626 15.999400 -0.847600 5.5944E+00 1.3537E+01 -1.7731E+01 H1 2627 1.008000 0.423800 6.1418E+00 1.3266E+01 -1.6939E+01 H2 2628 1.008000 0.423800 5.9702E+00 1.4376E+01 -1.8125E+01 O6 2629 15.999400 -0.847600 -1.9534E+01 -9.1838E+00 -1.2995E+01 H1 2630 1.008000 0.423800 -1.9250E+01 -9.5623E+00 -1.2114E+01 H2 2631 1.008000 0.423800 1.8735E+01 -8.6374E+00 -1.2871E+01 O6 2632 15.999400 -0.847600 -5.7731E+00 -1.7487E-01 1.3961E+01 H1 2633 1.008000 0.423800 -6.0784E+00 -1.0599E+00 1.4313E+01 H2 2634 1.008000 0.423800 -5.2205E+00 -3.1526E-01 1.3140E+01 O6 2635 15.999400 -0.847600 5.8924E+00 1.8315E+01 -9.8579E+00 H1 2636 1.008000 0.423800 5.0697E+00 1.7971E+01 -1.0311E+01 H2 2637 1.008000 0.423800 5.8498E+00 1.9312E+01 -9.8008E+00 O6 2638 15.999400 -0.847600 -7.4513E-01 1.0785E+01 -1.0767E+01 H1 2639 1.008000 0.423800 -1.2692E+00 1.0456E+01 -1.1552E+01 H2 2640 1.008000 0.423800 -7.5135E-01 1.0090E+01 -1.0048E+01 O6 2641 15.999400 -0.847600 5.2399E+00 1.0885E+01 2.5413E+00 H1 2642 1.008000 0.423800 4.7489E+00 1.1168E+01 3.3652E+00 H2 2643 1.008000 0.423800 5.0362E+00 9.9258E+00 2.3449E+00 O6 2644 15.999400 -0.847600 -3.9325E+00 -1.2818E+01 1.8882E+01 H1 2645 1.008000 0.423800 -3.8057E+00 -1.3443E+01 1.8111E+01 H2 2646 1.008000 0.423800 -4.4791E+00 -1.3267E+01 -1.9509E+01 O6 2647 15.999400 -0.847600 -1.7040E+01 8.1707E-01 -1.1977E+01 H1 2648 1.008000 0.423800 -1.6359E+01 1.5336E+00 -1.2128E+01 H2 2649 1.008000 0.423800 -1.7952E+01 1.2253E+00 -1.1947E+01 O6 2650 15.999400 -0.847600 -1.2006E+00 7.0581E+00 1.6495E+01 H1 2651 1.008000 0.423800 -1.6577E+00 6.2515E+00 1.6120E+01 H2 2652 1.008000 0.423800 -5.1083E-01 7.3814E+00 1.5847E+01 O6 2653 15.999400 -0.847600 -1.3701E+01 -1.1609E+00 -1.4947E+01 H1 2654 1.008000 0.423800 -1.4653E+01 -1.4320E+00 -1.5090E+01 H2 2655 1.008000 0.423800 -1.3346E+01 -7.4111E-01 -1.5783E+01 O6 2656 15.999400 -0.847600 -1.2007E+01 9.6447E+00 7.1151E+00 H1 2657 1.008000 0.423800 -1.2745E+01 8.9692E+00 7.1220E+00 H2 2658 1.008000 0.423800 -1.1897E+01 1.0027E+01 8.0325E+00 O6 2659 15.999400 -0.847600 1.5076E+01 9.7926E+00 -6.0860E+00 H1 2660 1.008000 0.423800 1.5584E+01 9.6036E+00 -5.2456E+00 H2 2661 1.008000 0.423800 1.4688E+01 8.9412E+00 -6.4399E+00 O6 2662 15.999400 -0.847600 1.4844E+01 9.3056E+00 1.4777E+01 H1 2663 1.008000 0.423800 1.5028E+01 9.9088E+00 1.5553E+01 H2 2664 1.008000 0.423800 1.5299E+01 9.6633E+00 1.3961E+01 O6 2665 15.999400 -0.847600 -5.1557E+00 5.4484E+00 -1.2667E+01 H1 2666 1.008000 0.423800 -4.2328E+00 5.4876E+00 -1.3050E+01 H2 2667 1.008000 0.423800 -5.6327E+00 4.6472E+00 -1.3028E+01 O6 2668 15.999400 -0.847600 -1.4511E+01 9.8356E+00 -1.8780E+01 H1 2669 1.008000 0.423800 -1.4798E+01 9.9407E+00 1.9365E+01 H2 2670 1.008000 0.423800 -1.5076E+01 9.1406E+00 -1.8336E+01 O6 2671 15.999400 -0.847600 1.4123E+01 8.0571E+00 1.8183E+01 H1 2672 1.008000 0.423800 1.3180E+01 8.3379E+00 1.8360E+01 H2 2673 1.008000 0.423800 1.4231E+01 7.0893E+00 1.8410E+01 O6 2674 15.999400 -0.847600 -1.3658E+01 -8.7402E+00 -1.0967E+01 H1 2675 1.008000 0.423800 -1.3021E+01 -7.9832E+00 -1.0824E+01 H2 2676 1.008000 0.423800 -1.3190E+01 -9.6072E+00 -1.0798E+01 O6 2677 15.999400 -0.847600 3.7908E-01 4.4028E+00 -8.1782E+00 H1 2678 1.008000 0.423800 -5.5606E-01 4.0510E+00 -8.2203E+00 H2 2679 1.008000 0.423800 5.0316E-01 4.9188E+00 -7.3307E+00 O6 2680 15.999400 -0.847600 -8.6884E+00 -8.2351E+00 4.0071E+00 H1 2681 1.008000 0.423800 -8.5776E+00 -7.2582E+00 3.8242E+00 H2 2682 1.008000 0.423800 -8.2716E+00 -8.7621E+00 3.2665E+00 O6 2683 15.999400 -0.847600 1.0334E+01 7.1162E+00 1.9344E+01 H1 2684 1.008000 0.423800 1.0831E+01 6.6044E+00 1.8644E+01 H2 2685 1.008000 0.423800 9.3530E+00 6.9505E+00 1.9245E+01 O6 2686 15.999400 -0.847600 -1.8792E+00 5.0327E+00 -1.5985E+01 H1 2687 1.008000 0.423800 -1.5233E+00 5.9355E+00 -1.6226E+01 H2 2688 1.008000 0.423800 -2.4550E+00 4.6918E+00 -1.6728E+01 O6 2689 15.999400 -0.847600 -1.3685E+01 -1.4403E+01 -2.7777E+00 H1 2690 1.008000 0.423800 -1.3151E+01 -1.3573E+01 -2.6196E+00 H2 2691 1.008000 0.423800 -1.4387E+01 -1.4222E+01 -3.4663E+00 O6 2692 15.999400 -0.847600 1.4033E+01 -1.2578E+01 3.2545E+00 H1 2693 1.008000 0.423800 1.4153E+01 -1.1707E+01 3.7308E+00 H2 2694 1.008000 0.423800 1.4157E+01 -1.3331E+01 3.9005E+00 O6 2695 15.999400 -0.847600 -1.6375E+00 -7.7302E+00 -7.2343E+00 H1 2696 1.008000 0.423800 -7.2454E-01 -7.8468E+00 -6.8432E+00 H2 2697 1.008000 0.423800 -2.1748E+00 -8.5592E+00 -7.0792E+00 O6 2698 15.999400 -0.847600 -1.1913E+01 -5.7024E+00 1.8070E+01 H1 2699 1.008000 0.423800 -1.2107E+01 -4.8754E+00 1.8598E+01 H2 2700 1.008000 0.423800 -1.0925E+01 -5.8587E+00 1.8046E+01 O6 2701 15.999400 -0.847600 1.1208E+01 1.3320E+01 -7.9059E-02 H1 2702 1.008000 0.423800 1.2112E+01 1.2907E+01 3.5221E-02 H2 2703 1.008000 0.423800 1.0532E+01 1.2603E+01 -2.4439E-01 O6 2704 15.999400 -0.847600 1.0257E+01 -1.5435E+01 1.0640E+00 H1 2705 1.008000 0.423800 9.5511E+00 -1.5265E+01 3.7674E-01 H2 2706 1.008000 0.423800 9.8645E+00 -1.5954E+01 1.8234E+00 O6 2707 15.999400 -0.847600 -1.4455E+01 -6.1328E-04 -7.0907E+00 H1 2708 1.008000 0.423800 -1.3937E+01 5.8979E-01 -6.4716E+00 H2 2709 1.008000 0.423800 -1.5254E+01 -3.6582E-01 -6.6126E+00 O6 2710 15.999400 -0.847600 -2.7903E+00 -1.8463E+01 1.5088E+01 H1 2711 1.008000 0.423800 -2.6588E+00 -1.7927E+01 1.5922E+01 H2 2712 1.008000 0.423800 -3.6854E+00 -1.8253E+01 1.4694E+01 O6 2713 15.999400 -0.847600 -1.6789E+01 3.7396E+00 -1.1300E+01 H1 2714 1.008000 0.423800 -1.7175E+01 4.6610E+00 -1.1252E+01 H2 2715 1.008000 0.423800 -1.5801E+01 3.7843E+00 -1.1156E+01 O6 2716 15.999400 -0.847600 1.1959E+01 1.5793E+01 8.2497E-01 H1 2717 1.008000 0.423800 1.1862E+01 1.4917E+01 3.5175E-01 H2 2718 1.008000 0.423800 1.1079E+01 1.6057E+01 1.2201E+00 O6 2719 15.999400 -0.847600 -5.4578E+00 -1.3009E+00 -8.8674E+00 H1 2720 1.008000 0.423800 -4.7119E+00 -9.4116E-01 -9.4281E+00 H2 2721 1.008000 0.423800 -6.2261E+00 -1.5519E+00 -9.4562E+00 O6 2722 15.999400 -0.847600 1.8053E+01 -5.3344E+00 -1.6133E+01 H1 2723 1.008000 0.423800 1.8771E+01 -5.9417E+00 -1.5792E+01 H2 2724 1.008000 0.423800 1.7431E+01 -5.8509E+00 -1.6722E+01 O6 2725 15.999400 -0.847600 1.0415E+01 9.1347E-02 -9.4340E+00 H1 2726 1.008000 0.423800 1.1373E+01 3.1632E-01 -9.6099E+00 H2 2727 1.008000 0.423800 9.8385E+00 5.1939E-01 -1.0130E+01 O6 2728 15.999400 -0.847600 -1.2310E+01 -4.3353E+00 1.8681E+00 H1 2729 1.008000 0.423800 -1.3063E+01 -3.9611E+00 1.3277E+00 H2 2730 1.008000 0.423800 -1.1625E+01 -3.6233E+00 2.0226E+00 O6 2731 15.999400 -0.847600 3.5396E+00 -1.8826E+01 -1.2834E+01 H1 2732 1.008000 0.423800 3.7030E+00 -1.7843E+01 -1.2745E+01 H2 2733 1.008000 0.423800 4.1852E+00 -1.9213E+01 -1.3492E+01 O6 2734 15.999400 -0.847600 -3.4821E+00 -1.4267E+00 -6.4891E+00 H1 2735 1.008000 0.423800 -4.3893E+00 -1.1681E+00 -6.8210E+00 H2 2736 1.008000 0.423800 -2.9316E+00 -6.0371E-01 -6.3487E+00 O6 2737 15.999400 -0.847600 9.1689E+00 -1.1489E+01 -6.3050E+00 H1 2738 1.008000 0.423800 9.9257E+00 -1.1988E+01 -6.7282E+00 H2 2739 1.008000 0.423800 9.3848E+00 -1.0513E+01 -6.2804E+00 O6 2740 15.999400 -0.847600 3.3046E+00 -1.5451E+01 1.3102E+01 H1 2741 1.008000 0.423800 4.0920E+00 -1.6058E+01 1.2994E+01 H2 2742 1.008000 0.423800 3.1663E+00 -1.4930E+01 1.2259E+01 O6 2743 15.999400 -0.847600 5.3543E-01 1.7484E+01 1.8926E+01 H1 2744 1.008000 0.423800 -2.4438E-01 1.6858E+01 1.8921E+01 H2 2745 1.008000 0.423800 1.3855E+00 1.6957E+01 1.8930E+01 O6 2746 15.999400 -0.847600 -2.5903E-01 1.5615E+01 -3.5363E+00 H1 2747 1.008000 0.423800 4.0895E-01 1.4892E+01 -3.3606E+00 H2 2748 1.008000 0.423800 -1.1600E+00 1.5321E+01 -3.2171E+00 O6 2749 15.999400 -0.847600 -3.9488E+00 1.1440E+01 7.4247E+00 H1 2750 1.008000 0.423800 -4.6158E+00 1.1823E+01 6.7859E+00 H2 2751 1.008000 0.423800 -4.3328E+00 1.1440E+01 8.3480E+00 O6 2752 15.999400 -0.847600 1.5880E+00 7.5284E+00 1.3055E+01 H1 2753 1.008000 0.423800 2.4391E+00 7.0974E+00 1.2756E+01 H2 2754 1.008000 0.423800 1.7215E+00 8.5170E+00 1.3125E+01 O6 2755 15.999400 -0.847600 8.9846E+00 1.3087E+01 -6.3846E+00 H1 2756 1.008000 0.423800 9.1185E+00 1.2745E+01 -7.3149E+00 H2 2757 1.008000 0.423800 8.0119E+00 1.3260E+01 -6.2299E+00 O6 2758 15.999400 -0.847600 -1.4356E+01 -4.4526E+00 -1.8583E+01 H1 2759 1.008000 0.423800 -1.3479E+01 -4.7272E+00 -1.8979E+01 H2 2760 1.008000 0.423800 -1.4517E+01 -3.4834E+00 -1.8769E+01 O6 2761 15.999400 -0.847600 5.5656E+00 -1.7113E+00 1.7832E+00 H1 2762 1.008000 0.423800 5.1682E+00 -1.8978E+00 8.8465E-01 H2 2763 1.008000 0.423800 5.9171E+00 -7.7537E-01 1.8043E+00 O6 2764 15.999400 -0.847600 6.8448E+00 1.8588E+01 1.9335E+01 H1 2765 1.008000 0.423800 5.8914E+00 1.8345E+01 1.9156E+01 H2 2766 1.008000 0.423800 7.2441E+00 1.8996E+01 1.8514E+01 O6 2767 15.999400 -0.847600 -8.3917E+00 -3.1410E+00 -7.6715E+00 H1 2768 1.008000 0.423800 -8.3681E+00 -4.1141E+00 -7.9007E+00 H2 2769 1.008000 0.423800 -8.1615E+00 -2.6021E+00 -8.4817E+00 O6 2770 15.999400 -0.847600 5.5282E+00 3.1515E+00 8.5123E+00 H1 2771 1.008000 0.423800 6.1024E+00 3.8514E+00 8.9371E+00 H2 2772 1.008000 0.423800 6.0741E+00 2.6211E+00 7.8637E+00 O6 2773 15.999400 -0.847600 -1.3443E+01 5.7048E+00 8.0757E+00 H1 2774 1.008000 0.423800 -1.2583E+01 5.8685E+00 7.5918E+00 H2 2775 1.008000 0.423800 -1.3392E+01 4.8305E+00 8.5584E+00 O6 2776 15.999400 -0.847600 -1.4537E+01 -1.3685E+01 -7.4726E+00 H1 2777 1.008000 0.423800 -1.5068E+01 -1.3597E+01 -8.3158E+00 H2 2778 1.008000 0.423800 -1.3594E+01 -1.3400E+01 -7.6414E+00 O6 2779 15.999400 -0.847600 1.0472E+01 -7.5726E+00 1.0392E+01 H1 2780 1.008000 0.423800 1.0102E+01 -8.3863E+00 1.0841E+01 H2 2781 1.008000 0.423800 1.1421E+01 -7.4379E+00 1.0675E+01 O6 2782 15.999400 -0.847600 1.5890E+01 -1.7662E+01 9.2820E+00 H1 2783 1.008000 0.423800 1.5033E+01 -1.7151E+01 9.2107E+00 H2 2784 1.008000 0.423800 1.6188E+01 -1.7941E+01 8.3694E+00 O6 2785 15.999400 -0.847600 4.4121E+00 1.2023E+01 1.4020E+01 H1 2786 1.008000 0.423800 5.2192E+00 1.2570E+01 1.3799E+01 H2 2787 1.008000 0.423800 3.9040E+00 1.2463E+01 1.4761E+01 O6 2788 15.999400 -0.847600 9.5962E+00 1.4306E+01 7.8939E+00 H1 2789 1.008000 0.423800 1.0228E+01 1.4973E+01 8.2886E+00 H2 2790 1.008000 0.423800 9.9884E+00 1.3389E+01 7.9703E+00 O6 2791 15.999400 -0.847600 -6.0929E+00 1.7082E+01 8.3609E+00 H1 2792 1.008000 0.423800 -5.4526E+00 1.6415E+01 7.9806E+00 H2 2793 1.008000 0.423800 -5.8861E+00 1.7229E+01 9.3282E+00 O6 2794 15.999400 -0.847600 6.8699E+00 9.3901E+00 -1.2669E+01 H1 2795 1.008000 0.423800 6.1578E+00 9.2905E+00 -1.3364E+01 H2 2796 1.008000 0.423800 6.6037E+00 8.8900E+00 -1.1845E+01 O6 2797 15.999400 -0.847600 -6.5797E+00 1.1205E+01 -1.1509E+01 H1 2798 1.008000 0.423800 -6.1688E+00 1.0636E+01 -1.0796E+01 H2 2799 1.008000 0.423800 -6.4247E+00 1.0784E+01 -1.2402E+01 O6 2800 15.999400 -0.847600 6.8812E-01 -2.8861E+00 1.8641E+01 H1 2801 1.008000 0.423800 -1.7371E-01 -2.4743E+00 1.8344E+01 H2 2802 1.008000 0.423800 7.0310E-01 -3.8514E+00 1.8380E+01 O6 2803 15.999400 -0.847600 1.4142E+01 3.5086E+00 -4.9402E-01 H1 2804 1.008000 0.423800 1.4749E+01 4.2735E+00 -7.0818E-01 H2 2805 1.008000 0.423800 1.4294E+01 3.2164E+00 4.5013E-01 O6 2806 15.999400 -0.847600 1.4501E+00 1.0915E+01 -6.0881E+00 H1 2807 1.008000 0.423800 2.0565E+00 1.0626E+01 -5.3474E+00 H2 2808 1.008000 0.423800 1.8743E+00 1.1668E+01 -6.5913E+00 O6 2809 15.999400 -0.847600 -1.6324E+01 -2.2637E+00 1.4904E+01 H1 2810 1.008000 0.423800 -1.6900E+01 -1.7143E+00 1.5509E+01 H2 2811 1.008000 0.423800 -1.5391E+01 -2.2861E+00 1.5263E+01 O6 2812 15.999400 -0.847600 1.7196E+01 -8.1185E+00 -4.8234E+00 H1 2813 1.008000 0.423800 1.7721E+01 -7.5701E+00 -4.1725E+00 H2 2814 1.008000 0.423800 1.6749E+01 -7.5149E+00 -5.4837E+00 O6 2815 15.999400 -0.847600 -1.7290E+01 1.9116E+01 -1.1688E+01 H1 2816 1.008000 0.423800 -1.7322E+01 1.8165E+01 -1.1383E+01 H2 2817 1.008000 0.423800 -1.6957E+01 1.9153E+01 -1.2631E+01 O6 2818 15.999400 -0.847600 1.3695E+01 1.0616E+01 5.0358E+00 H1 2819 1.008000 0.423800 1.3340E+01 9.8634E+00 5.5899E+00 H2 2820 1.008000 0.423800 1.3746E+01 1.1445E+01 5.5931E+00 O6 2821 15.999400 -0.847600 1.4611E+01 1.3551E+01 -2.7612E+00 H1 2822 1.008000 0.423800 1.5589E+01 1.3451E+01 -2.5790E+00 H2 2823 1.008000 0.423800 1.4282E+01 1.4404E+01 -2.3564E+00 O6 2824 15.999400 -0.847600 4.4716E+00 1.4104E+00 -9.4382E-01 H1 2825 1.008000 0.423800 3.9576E+00 1.6212E+00 -1.7753E+00 H2 2826 1.008000 0.423800 4.9988E+00 2.2132E+00 -6.6538E-01 O6 2827 15.999400 -0.847600 2.2886E+00 -1.9271E+01 1.0262E+01 H1 2828 1.008000 0.423800 1.7898E+00 -1.8560E+01 9.7658E+00 H2 2829 1.008000 0.423800 2.7088E+00 -1.8875E+01 1.1078E+01 O6 2830 15.999400 -0.847600 -1.4984E+01 9.9917E+00 3.2192E-01 H1 2831 1.008000 0.423800 -1.4766E+01 9.9338E+00 1.2963E+00 H2 2832 1.008000 0.423800 -1.4169E+01 1.0271E+01 -1.8543E-01 O6 2833 15.999400 -0.847600 -1.3079E+01 1.3777E+01 -2.1141E+00 H1 2834 1.008000 0.423800 -1.3482E+01 1.4640E+01 -2.4190E+00 H2 2835 1.008000 0.423800 -1.3321E+01 1.3615E+01 -1.1575E+00 O6 2836 15.999400 -0.847600 1.1853E+01 -1.1378E+01 1.8875E+01 H1 2837 1.008000 0.423800 1.1087E+01 -1.1838E+01 1.9324E+01 H2 2838 1.008000 0.423800 1.1680E+01 -1.1324E+01 1.7892E+01 O6 2839 15.999400 -0.847600 -1.8714E+01 -1.4174E+01 1.1957E+01 H1 2840 1.008000 0.423800 -1.8281E+01 -1.4409E+01 1.2827E+01 H2 2841 1.008000 0.423800 -1.8446E+01 -1.4840E+01 1.1261E+01 O6 2842 15.999400 -0.847600 6.7768E+00 1.7994E+00 6.5640E+00 H1 2843 1.008000 0.423800 7.6231E+00 1.3821E+00 6.8953E+00 H2 2844 1.008000 0.423800 6.3031E+00 1.1581E+00 5.9604E+00 O6 2845 15.999400 -0.847600 1.5069E+01 5.7110E+00 -2.0167E+00 H1 2846 1.008000 0.423800 1.5934E+01 5.7803E+00 -1.5199E+00 H2 2847 1.008000 0.423800 1.5239E+01 5.8140E+00 -2.9969E+00 O6 2848 15.999400 -0.847600 -1.6322E+01 1.0684E+01 8.4267E+00 H1 2849 1.008000 0.423800 -1.6684E+01 9.9674E+00 7.8303E+00 H2 2850 1.008000 0.423800 -1.5596E+01 1.1179E+01 7.9495E+00 O6 2851 15.999400 -0.847600 1.7379E+01 -7.9626E+00 -1.3004E+01 H1 2852 1.008000 0.423800 1.7304E+01 -6.9782E+00 -1.3163E+01 H2 2853 1.008000 0.423800 1.7095E+01 -8.4557E+00 -1.3826E+01 O6 2854 15.999400 -0.847600 -1.5913E+00 1.1450E+01 3.1614E-03 H1 2855 1.008000 0.423800 -8.5508E-01 1.0900E+01 3.9734E-01 H2 2856 1.008000 0.423800 -2.2252E+00 1.1726E+01 7.2593E-01 O6 2857 15.999400 -0.847600 3.7182E+00 -1.4517E+01 5.8252E+00 H1 2858 1.008000 0.423800 4.2102E+00 -1.5077E+01 5.1581E+00 H2 2859 1.008000 0.423800 2.8560E+00 -1.4205E+01 5.4268E+00 O6 2860 15.999400 -0.847600 -6.0664E+00 -9.3197E+00 1.5834E+01 H1 2861 1.008000 0.423800 -6.3811E+00 -9.4314E+00 1.4891E+01 H2 2862 1.008000 0.423800 -6.0113E+00 -1.0215E+01 1.6275E+01 O6 2863 15.999400 -0.847600 1.6437E+01 -1.1651E+01 1.0150E+01 H1 2864 1.008000 0.423800 1.6978E+01 -1.2088E+01 1.0869E+01 H2 2865 1.008000 0.423800 1.6399E+01 -1.2250E+01 9.3503E+00 O6 2866 15.999400 -0.847600 4.4379E+00 -3.0292E+00 -5.3873E-01 H1 2867 1.008000 0.423800 3.7091E+00 -3.3752E+00 -1.1297E+00 H2 2868 1.008000 0.423800 4.9885E+00 -3.7946E+00 -2.0558E-01 O6 2869 15.999400 -0.847600 -6.7303E+00 -1.2796E+01 -9.6203E-01 H1 2870 1.008000 0.423800 -5.7627E+00 -1.2946E+01 -1.1647E+00 H2 2871 1.008000 0.423800 -7.0627E+00 -1.2012E+01 -1.4861E+00 O6 2872 15.999400 -0.847600 5.9347E+00 3.4783E+00 1.8044E-01 H1 2873 1.008000 0.423800 6.5863E+00 4.2249E+00 4.6213E-02 H2 2874 1.008000 0.423800 5.0164E+00 3.8552E+00 3.0175E-01 O6 2875 15.999400 -0.847600 3.9944E+00 -1.7395E+01 1.7274E+01 H1 2876 1.008000 0.423800 3.3697E+00 -1.8165E+01 1.7404E+01 H2 2877 1.008000 0.423800 4.5717E+00 -1.7294E+01 1.8084E+01 O6 2878 15.999400 -0.847600 -1.0139E+00 2.6968E+00 -1.1922E+01 H1 2879 1.008000 0.423800 -4.5186E-01 2.4065E+00 -1.1148E+01 H2 2880 1.008000 0.423800 -6.9702E-01 2.2403E+00 -1.2754E+01 O6 2881 15.999400 -0.847600 -1.9263E+01 -1.0862E+01 3.0578E-01 H1 2882 1.008000 0.423800 -1.8511E+01 -1.1438E+01 6.2651E-01 H2 2883 1.008000 0.423800 -1.8947E+01 -1.0291E+01 -4.5159E-01 O6 2884 15.999400 -0.847600 -1.1272E+01 7.8553E+00 1.6318E+01 H1 2885 1.008000 0.423800 -1.1407E+01 8.8214E+00 1.6097E+01 H2 2886 1.008000 0.423800 -1.2138E+01 7.3655E+00 1.6211E+01 O6 2887 15.999400 -0.847600 -4.6705E+00 4.0190E+00 -8.5791E+00 H1 2888 1.008000 0.423800 -5.2027E+00 3.7217E+00 -7.7864E+00 H2 2889 1.008000 0.423800 -5.1016E+00 4.8237E+00 -8.9872E+00 O6 2890 15.999400 -0.847600 8.9063E+00 7.8398E+00 -5.7406E+00 H1 2891 1.008000 0.423800 8.2718E+00 7.0716E+00 -5.6551E+00 H2 2892 1.008000 0.423800 8.6183E+00 8.4273E+00 -6.4968E+00 O6 2893 15.999400 -0.847600 2.4831E+00 -1.1039E+01 1.4685E+01 H1 2894 1.008000 0.423800 1.7919E+00 -1.0540E+01 1.5208E+01 H2 2895 1.008000 0.423800 2.6123E+00 -1.1946E+01 1.5086E+01 O6 2896 15.999400 -0.847600 -9.2077E+00 -1.6103E+01 2.0815E+00 H1 2897 1.008000 0.423800 -9.8471E+00 -1.5684E+01 2.7262E+00 H2 2898 1.008000 0.423800 -8.3515E+00 -1.6316E+01 2.5522E+00 O6 2899 15.999400 -0.847600 -9.0340E+00 -1.6573E+01 1.7746E+01 H1 2900 1.008000 0.423800 -9.6437E+00 -1.6874E+01 1.7013E+01 H2 2901 1.008000 0.423800 -8.1858E+00 -1.7101E+01 1.7712E+01 O6 2902 15.999400 -0.847600 -8.6005E+00 -1.2436E+01 -8.0506E+00 H1 2903 1.008000 0.423800 -8.8534E+00 -1.3378E+01 -8.2726E+00 H2 2904 1.008000 0.423800 -9.3582E+00 -1.1825E+01 -8.2790E+00 O6 2905 15.999400 -0.847600 -1.0743E+01 1.5106E+01 1.5985E+01 H1 2906 1.008000 0.423800 -9.7892E+00 1.5193E+01 1.5698E+01 H2 2907 1.008000 0.423800 -1.1173E+01 1.6009E+01 1.5994E+01 O6 2908 15.999400 -0.847600 -8.2263E-01 1.5405E+01 -1.6906E+01 H1 2909 1.008000 0.423800 -5.0142E-01 1.4905E+01 -1.6102E+01 H2 2910 1.008000 0.423800 -1.7802E+00 1.5176E+01 -1.7081E+01 O6 2911 15.999400 -0.847600 1.1158E+01 -1.0053E+01 1.5026E-02 H1 2912 1.008000 0.423800 1.1507E+01 -1.0653E+01 7.3510E-01 H2 2913 1.008000 0.423800 1.1703E+01 -9.2148E+00 -1.2812E-02 O6 2914 15.999400 -0.847600 -1.3809E+01 3.9547E+00 1.2443E+01 H1 2915 1.008000 0.423800 -1.3153E+01 3.2064E+00 1.2349E+01 H2 2916 1.008000 0.423800 -1.3373E+01 4.8159E+00 1.2183E+01 O6 2917 15.999400 -0.847600 4.2949E+00 -2.3807E+00 -8.1045E+00 H1 2918 1.008000 0.423800 3.6928E+00 -2.0981E+00 -7.3577E+00 H2 2919 1.008000 0.423800 3.9481E+00 -3.2262E+00 -8.5104E+00 O6 2920 15.999400 -0.847600 -1.3576E+01 -7.3641E+00 1.3644E+00 H1 2921 1.008000 0.423800 -1.3136E+01 -8.1608E+00 1.7788E+00 H2 2922 1.008000 0.423800 -1.3339E+01 -6.5440E+00 1.8852E+00 O6 2923 15.999400 -0.847600 -4.9803E+00 1.7454E+01 3.9082E+00 H1 2924 1.008000 0.423800 -5.9686E+00 1.7530E+01 3.7765E+00 H2 2925 1.008000 0.423800 -4.5255E+00 1.7439E+01 3.0178E+00 O6 2926 15.999400 -0.847600 8.7908E+00 -3.8091E+00 8.1237E+00 H1 2927 1.008000 0.423800 9.4795E+00 -4.1317E+00 7.4744E+00 H2 2928 1.008000 0.423800 7.8869E+00 -4.1244E+00 7.8347E+00 O6 2929 15.999400 -0.847600 -8.7885E+00 3.3812E+00 1.0343E+01 H1 2930 1.008000 0.423800 -8.7947E+00 2.9891E+00 1.1263E+01 H2 2931 1.008000 0.423800 -8.1466E+00 2.8732E+00 9.7687E+00 O6 2932 15.999400 -0.847600 1.3861E+01 3.9868E-01 2.2762E-01 H1 2933 1.008000 0.423800 1.3928E+01 1.1411E+00 8.9412E-01 H2 2934 1.008000 0.423800 1.4371E+01 6.4351E-01 -5.9692E-01 O6 2935 15.999400 -0.847600 -5.5699E+00 1.3075E+01 -1.7152E+01 H1 2936 1.008000 0.423800 -5.9588E+00 1.2159E+01 -1.7242E+01 H2 2937 1.008000 0.423800 -6.3035E+00 1.3754E+01 -1.7191E+01 O6 2938 15.999400 -0.847600 1.8146E+01 -1.1733E+01 1.9001E+01 H1 2939 1.008000 0.423800 1.8887E+01 -1.1668E+01 1.8333E+01 H2 2940 1.008000 0.423800 1.8396E+01 -1.2389E+01 -1.9384E+01 O6 2941 15.999400 -0.847600 5.9889E+00 -1.0756E+01 -1.6359E+01 H1 2942 1.008000 0.423800 6.0717E+00 -9.8694E+00 -1.6815E+01 H2 2943 1.008000 0.423800 5.1865E+00 -1.0749E+01 -1.5762E+01 O6 2944 15.999400 -0.847600 -7.4927E+00 -2.9768E+00 1.7716E+01 H1 2945 1.008000 0.423800 -6.8780E+00 -2.5963E+00 1.7025E+01 H2 2946 1.008000 0.423800 -8.4402E+00 -2.7812E+00 1.7463E+01 O6 2947 15.999400 -0.847600 3.3906E+00 -2.9857E+00 3.2493E+00 H1 2948 1.008000 0.423800 2.6349E+00 -2.8505E+00 2.6085E+00 H2 2949 1.008000 0.423800 4.1840E+00 -2.4584E+00 2.9451E+00 O6 2950 15.999400 -0.847600 1.5318E+01 1.4551E+01 -1.1958E+01 H1 2951 1.008000 0.423800 1.6100E+01 1.3974E+01 -1.1720E+01 H2 2952 1.008000 0.423800 1.4470E+01 1.4080E+01 -1.1714E+01 O6 2953 15.999400 -0.847600 -1.1244E+01 -2.7006E+00 -1.5772E+01 H1 2954 1.008000 0.423800 -1.0382E+01 -3.1192E+00 -1.6060E+01 H2 2955 1.008000 0.423800 -1.2000E+01 -3.3219E+00 -1.5974E+01 O6 2956 15.999400 -0.847600 1.1399E+01 1.9359E+01 8.8660E+00 H1 2957 1.008000 0.423800 1.1707E+01 -1.9381E+01 9.7475E+00 H2 2958 1.008000 0.423800 1.1000E+01 1.8451E+01 8.9955E+00 O6 2959 15.999400 -0.847600 7.8300E+00 -1.3390E+01 -5.0101E+00 H1 2960 1.008000 0.423800 8.1561E+00 -1.2510E+01 -5.3550E+00 H2 2961 1.008000 0.423800 7.5077E+00 -1.3949E+01 -5.7743E+00 O6 2962 15.999400 -0.847600 -1.8088E+01 -8.3373E+00 -3.5397E+00 H1 2963 1.008000 0.423800 -1.8756E+01 -9.0096E+00 -3.2200E+00 H2 2964 1.008000 0.423800 -1.7575E+01 -7.9805E+00 -2.7593E+00 O6 2965 15.999400 -0.847600 1.4893E+01 -1.5900E+01 -6.0100E-01 H1 2966 1.008000 0.423800 1.4993E+01 -1.4994E+01 -1.0109E+00 H2 2967 1.008000 0.423800 1.5758E+01 -1.6396E+01 -6.7520E-01 O6 2968 15.999400 -0.847600 9.5915E+00 -9.0349E+00 1.8995E+01 H1 2969 1.008000 0.423800 9.0838E+00 -8.8095E+00 1.8164E+01 H2 2970 1.008000 0.423800 9.5056E+00 -1.0013E+01 1.9184E+01 O6 2971 15.999400 -0.847600 1.0524E+00 2.7040E+00 -1.9250E+01 H1 2972 1.008000 0.423800 2.2417E-01 2.1453E+00 -1.9294E+01 H2 2973 1.008000 0.423800 1.3855E+00 2.7323E+00 -1.8308E+01 O6 2974 15.999400 -0.847600 -1.5069E+01 1.8653E+01 7.2527E+00 H1 2975 1.008000 0.423800 -1.4461E+01 1.8996E+01 7.9687E+00 H2 2976 1.008000 0.423800 -1.5579E+01 1.9416E+01 6.8552E+00 O6 2977 15.999400 -0.847600 5.2045E+00 1.6654E+00 2.2430E+00 H1 2978 1.008000 0.423800 4.3525E+00 2.0851E+00 2.5561E+00 H2 2979 1.008000 0.423800 5.6914E+00 2.3042E+00 1.6474E+00 O6 2980 15.999400 -0.847600 1.1801E+01 7.4504E+00 -6.4095E+00 H1 2981 1.008000 0.423800 1.0810E+01 7.5676E+00 -6.4693E+00 H2 2982 1.008000 0.423800 1.2051E+01 7.1952E+00 -5.4754E+00 O6 2983 15.999400 -0.847600 -1.6539E-01 9.6631E+00 8.7883E+00 H1 2984 1.008000 0.423800 -1.0507E+00 9.3166E+00 9.0983E+00 H2 2985 1.008000 0.423800 2.0040E-01 9.0579E+00 8.0813E+00 O6 2986 15.999400 -0.847600 -3.6842E+00 -7.9394E+00 1.6715E+01 H1 2987 1.008000 0.423800 -3.1285E+00 -7.7641E+00 1.5902E+01 H2 2988 1.008000 0.423800 -4.5323E+00 -8.3962E+00 1.6447E+01 O6 2989 15.999400 -0.847600 9.6475E+00 9.4798E+00 2.4044E+00 H1 2990 1.008000 0.423800 9.9209E+00 8.6106E+00 1.9925E+00 H2 2991 1.008000 0.423800 1.0462E+01 1.0021E+01 2.6121E+00 O6 2992 15.999400 -0.847600 1.1702E+00 1.1248E+01 -1.5681E+01 H1 2993 1.008000 0.423800 2.1429E+00 1.1461E+01 -1.5589E+01 H2 2994 1.008000 0.423800 9.9269E-01 1.0336E+01 -1.5309E+01 O6 2995 15.999400 -0.847600 6.5247E+00 -1.5457E+01 -1.4550E+01 H1 2996 1.008000 0.423800 7.3636E+00 -1.5467E+01 -1.4006E+01 H2 2997 1.008000 0.423800 6.5061E+00 -1.4635E+01 -1.5119E+01 O6 2998 15.999400 -0.847600 1.5703E+01 -2.3969E+00 5.0102E+00 H1 2999 1.008000 0.423800 1.6035E+01 -2.4032E+00 4.0672E+00 H2 3000 1.008000 0.423800 1.4782E+01 -2.7851E+00 5.0411E+00 O6 3001 15.999400 -0.847600 -7.3056E+00 1.6461E+01 -1.6613E+01 H1 3002 1.008000 0.423800 -6.9313E+00 1.6208E+01 -1.5721E+01 H2 3003 1.008000 0.423800 -7.9462E+00 1.7221E+01 -1.6503E+01 O6 3004 15.999400 -0.847600 1.6302E+01 1.5801E+01 -1.9521E+01 H1 3005 1.008000 0.423800 1.6815E+01 1.6419E+01 1.8981E+01 H2 3006 1.008000 0.423800 1.6520E+01 1.6002E+01 -1.8566E+01 O6 3007 15.999400 -0.847600 3.1421E+00 -3.7927E+00 -3.2290E+00 H1 3008 1.008000 0.423800 4.0024E+00 -3.6043E+00 -3.7028E+00 H2 3009 1.008000 0.423800 2.6702E+00 -2.9316E+00 -3.0400E+00 O6 3010 15.999400 -0.847600 -1.6088E+01 1.7954E+01 1.3374E+01 H1 3011 1.008000 0.423800 -1.5805E+01 1.7835E+01 1.4325E+01 H2 3012 1.008000 0.423800 -1.7082E+01 1.8050E+01 1.3331E+01 O6 3013 15.999400 -0.847600 6.9393E+00 -1.9052E+01 2.1785E+00 H1 3014 1.008000 0.423800 6.3600E+00 -1.8345E+01 1.7731E+00 H2 3015 1.008000 0.423800 6.9543E+00 1.9244E+01 1.5807E+00 O6 3016 15.999400 -0.847600 2.0156E+00 -1.7041E+00 1.4938E+01 H1 3017 1.008000 0.423800 1.4581E+00 -1.7895E+00 1.4112E+01 H2 3018 1.008000 0.423800 2.9768E+00 -1.6013E+00 1.4682E+01 O6 3019 15.999400 -0.847600 -1.4953E+01 6.7828E+00 5.2450E+00 H1 3020 1.008000 0.423800 -1.4863E+01 7.0364E+00 4.2819E+00 H2 3021 1.008000 0.423800 -1.5038E+01 7.6097E+00 5.8009E+00 O6 3022 15.999400 -0.847600 7.9621E+00 -8.5391E+00 1.6979E+01 H1 3023 1.008000 0.423800 7.3383E+00 -9.3075E+00 1.7123E+01 H2 3024 1.008000 0.423800 7.6627E+00 -7.7596E+00 1.7529E+01 O6 3025 15.999400 -0.847600 -1.3391E+01 2.4579E-01 -4.0357E+00 H1 3026 1.008000 0.423800 -1.2460E+01 -7.7271E-02 -3.8673E+00 H2 3027 1.008000 0.423800 -1.3377E+01 1.2319E+00 -4.2012E+00 O6 3028 15.999400 -0.847600 -1.2721E+01 -1.2000E+01 -1.1425E+01 H1 3029 1.008000 0.423800 -1.2696E+01 -1.2012E+01 -1.2425E+01 H2 3030 1.008000 0.423800 -1.3447E+01 -1.2609E+01 -1.1104E+01 O6 3031 15.999400 -0.847600 1.5072E+01 -1.4302E+01 1.0949E+01 H1 3032 1.008000 0.423800 1.4451E+01 -1.4884E+01 1.0424E+01 H2 3033 1.008000 0.423800 1.4639E+01 -1.3417E+01 1.1115E+01 O6 3034 15.999400 -0.847600 1.0775E+01 -4.8124E-01 1.6388E+01 H1 3035 1.008000 0.423800 1.0315E+01 -1.3677E+00 1.6343E+01 H2 3036 1.008000 0.423800 1.0225E+01 2.0504E-01 1.5913E+01 O6 3037 15.999400 -0.847600 3.7768E-01 -1.0942E+01 1.9805E+00 H1 3038 1.008000 0.423800 -3.3885E-01 -1.1621E+01 2.1393E+00 H2 3039 1.008000 0.423800 9.3857E-01 -1.0850E+01 2.8034E+00 O6 3040 15.999400 -0.847600 -1.6117E+01 -1.2324E+01 9.0461E+00 H1 3041 1.008000 0.423800 -1.5234E+01 -1.1921E+01 8.8057E+00 H2 3042 1.008000 0.423800 -1.6289E+01 -1.2192E+01 1.0022E+01 O6 3043 15.999400 -0.847600 1.1706E+01 1.8126E+01 -4.0408E+00 H1 3044 1.008000 0.423800 1.0755E+01 1.8034E+01 -4.3370E+00 H2 3045 1.008000 0.423800 1.2315E+01 1.7894E+01 -4.7991E+00 O6 3046 15.999400 -0.847600 4.1738E+00 5.0824E-01 1.6831E+01 H1 3047 1.008000 0.423800 4.4409E+00 -1.8065E-02 1.6024E+01 H2 3048 1.008000 0.423800 3.4798E+00 1.1812E+00 1.6575E+01 O6 3049 15.999400 -0.847600 4.9558E+00 1.9111E+01 5.4173E+00 H1 3050 1.008000 0.423800 4.5771E+00 1.8638E+01 4.6220E+00 H2 3051 1.008000 0.423800 4.7434E+00 1.8594E+01 6.2459E+00 O6 3052 15.999400 -0.847600 -1.2612E+01 -1.4897E+01 -1.0150E+01 H1 3053 1.008000 0.423800 -1.3527E+01 -1.4503E+01 -1.0239E+01 H2 3054 1.008000 0.423800 -1.2654E+01 -1.5707E+01 -9.5654E+00 O6 3055 15.999400 -0.847600 -7.0988E+00 -1.0709E+01 1.3535E+01 H1 3056 1.008000 0.423800 -7.8961E+00 -1.0865E+01 1.4118E+01 H2 3057 1.008000 0.423800 -6.5864E+00 -1.1562E+01 1.3435E+01 O6 3058 15.999400 -0.847600 7.6121E+00 -3.5272E+00 1.8908E+00 H1 3059 1.008000 0.423800 7.0281E+00 -2.7161E+00 1.8592E+00 H2 3060 1.008000 0.423800 7.0841E+00 -4.3049E+00 2.2319E+00 O6 3061 15.999400 -0.847600 -1.8595E+01 2.1725E+00 1.8308E+01 H1 3062 1.008000 0.423800 -1.8998E+01 1.7740E+00 1.7484E+01 H2 3063 1.008000 0.423800 -1.8728E+01 1.5503E+00 1.9079E+01 O6 3064 15.999400 -0.847600 5.2222E+00 -1.0805E+01 1.4141E+01 H1 3065 1.008000 0.423800 4.3724E+00 -1.1004E+01 1.4629E+01 H2 3066 1.008000 0.423800 5.9939E+00 -1.1197E+01 1.4642E+01 O6 3067 15.999400 -0.847600 -3.9326E+00 8.7160E+00 6.5586E+00 H1 3068 1.008000 0.423800 -3.7560E+00 9.6800E+00 6.7571E+00 H2 3069 1.008000 0.423800 -3.0639E+00 8.2259E+00 6.4870E+00 O6 3070 15.999400 -0.847600 -1.5682E+01 1.3127E+01 -9.6052E+00 H1 3071 1.008000 0.423800 -1.5564E+01 1.3913E+01 -1.0212E+01 H2 3072 1.008000 0.423800 -1.6477E+01 1.3276E+01 -9.0173E+00 O6 3073 15.999400 -0.847600 -7.4992E+00 1.6768E+01 1.2969E+01 H1 3074 1.008000 0.423800 -7.9602E+00 1.7033E+01 1.2122E+01 H2 3075 1.008000 0.423800 -7.8747E+00 1.7295E+01 1.3732E+01 O6 3076 15.999400 -0.847600 -2.0135E+00 1.6709E+01 1.2800E+01 H1 3077 1.008000 0.423800 -2.5139E+00 1.6146E+01 1.2142E+01 H2 3078 1.008000 0.423800 -1.4429E+00 1.6122E+01 1.3375E+01 O6 3079 15.999400 -0.847600 1.4885E+01 1.8705E+01 5.6729E+00 H1 3080 1.008000 0.423800 1.3964E+01 1.8401E+01 5.4283E+00 H2 3081 1.008000 0.423800 1.5502E+01 1.7919E+01 5.6918E+00 O6 3082 15.999400 -0.847600 1.4355E+01 -1.6074E+01 -9.6266E+00 H1 3083 1.008000 0.423800 1.3685E+01 -1.5855E+01 -1.0336E+01 H2 3084 1.008000 0.423800 1.4132E+01 -1.6959E+01 -9.2191E+00 O6 3085 15.999400 -0.847600 1.7299E+01 1.7051E+01 6.2880E+00 H1 3086 1.008000 0.423800 1.7428E+01 1.6993E+01 7.2780E+00 H2 3087 1.008000 0.423800 1.8134E+01 1.7401E+01 5.8632E+00 O6 3088 15.999400 -0.847600 -3.3107E-01 9.8791E+00 -7.9710E+00 H1 3089 1.008000 0.423800 -6.2926E-01 9.2681E+00 -7.2377E+00 H2 3090 1.008000 0.423800 3.0149E-01 1.0560E+01 -7.6013E+00 O6 3091 15.999400 -0.847600 1.0441E+01 2.7691E+00 1.5518E+01 H1 3092 1.008000 0.423800 9.4718E+00 2.6626E+00 1.5295E+01 H2 3093 1.008000 0.423800 1.0718E+01 3.7163E+00 1.5356E+01 O6 3094 15.999400 -0.847600 -1.6935E+01 -4.0123E+00 6.2332E+00 H1 3095 1.008000 0.423800 -1.6284E+01 -4.5541E+00 6.7649E+00 H2 3096 1.008000 0.423800 -1.7124E+01 -3.1544E+00 6.7113E+00 O6 3097 15.999400 -0.847600 1.4770E+01 -2.0357E+00 -8.9242E+00 H1 3098 1.008000 0.423800 1.5464E+01 -2.2226E+00 -8.2294E+00 H2 3099 1.008000 0.423800 1.4898E+01 -2.6553E+00 -9.6985E+00 O6 3100 15.999400 -0.847600 1.7629E+01 6.4126E-01 1.8058E+01 H1 3101 1.008000 0.423800 1.6781E+01 2.4153E-01 1.7711E+01 H2 3102 1.008000 0.423800 1.7424E+01 1.2277E+00 1.8842E+01 O6 3103 15.999400 -0.847600 -1.3453E+01 3.2323E+00 9.6285E+00 H1 3104 1.008000 0.423800 -1.3834E+01 3.2286E+00 1.0553E+01 H2 3105 1.008000 0.423800 -1.2472E+01 3.4221E+00 9.6723E+00 O6 3106 15.999400 -0.847600 1.4259E+00 1.3850E+01 -1.9507E+00 H1 3107 1.008000 0.423800 1.4469E+00 1.2904E+01 -1.6274E+00 H2 3108 1.008000 0.423800 1.7180E+00 1.4460E+01 -1.2144E+00 O6 3109 15.999400 -0.847600 9.0023E+00 -1.2790E+01 -2.5007E+00 H1 3110 1.008000 0.423800 8.1871E+00 -1.2907E+01 -3.0679E+00 H2 3111 1.008000 0.423800 8.7607E+00 -1.2919E+01 -1.5391E+00 O6 3112 15.999400 -0.847600 -7.6855E+00 -8.6670E-01 -1.5012E+01 H1 3113 1.008000 0.423800 -7.2192E+00 -4.6434E-01 -1.4224E+01 H2 3114 1.008000 0.423800 -7.2065E+00 -1.6980E+00 -1.5294E+01 O6 3115 15.999400 -0.847600 -1.1753E+01 1.3968E+01 1.9063E+01 H1 3116 1.008000 0.423800 -1.1981E+01 1.4030E+01 -1.9063E+01 H2 3117 1.008000 0.423800 -1.0759E+01 1.3960E+01 1.8954E+01 O6 3118 15.999400 -0.847600 9.7808E+00 -1.1331E+01 4.1625E+00 H1 3119 1.008000 0.423800 9.8204E+00 -1.2263E+01 4.5206E+00 H2 3120 1.008000 0.423800 9.2447E+00 -1.0758E+01 4.7828E+00 O6 3121 15.999400 -0.847600 -8.9388E+00 9.6450E+00 -9.1629E+00 H1 3122 1.008000 0.423800 -8.5032E+00 1.0508E+01 -8.9064E+00 H2 3123 1.008000 0.423800 -9.5910E+00 9.3772E+00 -8.4537E+00 O6 3124 15.999400 -0.847600 1.9022E+01 1.0735E+01 1.4525E+01 H1 3125 1.008000 0.423800 1.9048E+01 1.0471E+01 1.5489E+01 H2 3126 1.008000 0.423800 -1.9250E+01 1.1251E+01 1.4298E+01 O6 3127 15.999400 -0.847600 -3.5975E+00 -1.3175E+01 8.7690E+00 H1 3128 1.008000 0.423800 -3.5314E+00 -1.2290E+01 9.2296E+00 H2 3129 1.008000 0.423800 -2.7798E+00 -1.3324E+01 8.2128E+00 O6 3130 15.999400 -0.847600 1.6297E+01 1.7084E+01 1.3660E+01 H1 3131 1.008000 0.423800 1.5320E+01 1.6886E+01 1.3738E+01 H2 3132 1.008000 0.423800 1.6454E+01 1.7680E+01 1.2872E+01 O6 3133 15.999400 -0.847600 7.5918E+00 6.4693E+00 1.8841E+01 H1 3134 1.008000 0.423800 7.1541E+00 5.9375E+00 1.8116E+01 H2 3135 1.008000 0.423800 7.1165E+00 7.3427E+00 1.8947E+01 O6 3136 15.999400 -0.847600 -6.1064E+00 -1.1874E+01 1.6936E+01 H1 3137 1.008000 0.423800 -6.0165E+00 -1.1961E+01 1.7928E+01 H2 3138 1.008000 0.423800 -6.5424E+00 -1.2696E+01 1.6568E+01 O6 3139 15.999400 -0.847600 1.4820E+00 -1.4142E+00 -2.8396E+00 H1 3140 1.008000 0.423800 1.0884E+00 -9.9887E-01 -2.0195E+00 H2 3141 1.008000 0.423800 8.7696E-01 -1.2513E+00 -3.6190E+00 O6 3142 15.999400 -0.847600 1.4693E+01 -6.7015E+00 1.6215E+01 H1 3143 1.008000 0.423800 1.5004E+01 -5.7568E+00 1.6111E+01 H2 3144 1.008000 0.423800 1.3983E+01 -6.7431E+00 1.6918E+01 O6 3145 15.999400 -0.847600 -1.2115E+01 1.5254E+00 2.6827E+00 H1 3146 1.008000 0.423800 -1.1289E+01 2.0800E+00 2.7819E+00 H2 3147 1.008000 0.423800 -1.2865E+01 1.9511E+00 3.1890E+00 O6 3148 15.999400 -0.847600 -1.8186E+01 -1.1410E+01 -1.4009E+01 H1 3149 1.008000 0.423800 -1.8210E+01 -1.1624E+01 -1.4985E+01 H2 3150 1.008000 0.423800 -1.8811E+01 -1.0653E+01 -1.3818E+01 O6 3151 15.999400 -0.847600 5.3041E+00 1.6095E+01 -3.7013E-01 H1 3152 1.008000 0.423800 5.0718E+00 1.6219E+01 -1.3348E+00 H2 3153 1.008000 0.423800 6.1366E+00 1.5546E+01 -2.9588E-01 O6 3154 15.999400 -0.847600 -7.5603E+00 -1.6818E+01 -4.5948E-01 H1 3155 1.008000 0.423800 -7.8046E+00 -1.6200E+01 -1.2073E+00 H2 3156 1.008000 0.423800 -8.1361E+00 -1.6623E+01 3.3467E-01 O6 3157 15.999400 -0.847600 2.8771E+00 2.7746E-01 6.7468E+00 H1 3158 1.008000 0.423800 3.3823E+00 -3.0415E-01 7.3844E+00 H2 3159 1.008000 0.423800 2.1818E+00 -2.6738E-01 6.2780E+00 O6 3160 15.999400 -0.847600 2.3476E+00 1.0393E+01 9.8610E+00 H1 3161 1.008000 0.423800 2.9321E+00 9.6185E+00 1.0101E+01 H2 3162 1.008000 0.423800 1.5362E+00 1.0062E+01 9.3794E+00 O6 3163 15.999400 -0.847600 1.3852E+01 -1.1941E+01 6.1008E-01 H1 3164 1.008000 0.423800 1.4067E+01 -1.2368E+01 1.4888E+00 H2 3165 1.008000 0.423800 1.3769E+01 -1.2649E+01 -9.1918E-02 O6 3166 15.999400 -0.847600 3.5996E+00 -1.0785E+01 -1.5069E+01 H1 3167 1.008000 0.423800 3.0245E+00 -9.9672E+00 -1.5075E+01 H2 3168 1.008000 0.423800 3.7945E+00 -1.1048E+01 -1.4124E+01 O6 3169 15.999400 -0.847600 -5.2574E+00 6.6835E+00 4.9383E-01 H1 3170 1.008000 0.423800 -5.8722E+00 7.1711E+00 -1.2615E-01 H2 3171 1.008000 0.423800 -5.0439E+00 5.7841E+00 1.1237E-01 O6 3172 15.999400 -0.847600 1.0409E+01 -3.5495E+00 -1.0658E+00 H1 3173 1.008000 0.423800 1.0973E+01 -4.3522E+00 -8.7185E-01 H2 3174 1.008000 0.423800 1.0781E+01 -2.7566E+00 -5.8274E-01 O6 3175 15.999400 -0.847600 2.4106E+00 2.0593E+00 -6.9894E+00 H1 3176 1.008000 0.423800 1.5396E+00 2.4417E+00 -6.6810E+00 H2 3177 1.008000 0.423800 2.8141E+00 1.5143E+00 -6.2544E+00 O6 3178 15.999400 -0.847600 -1.7178E+01 9.6955E+00 -9.5765E+00 H1 3179 1.008000 0.423800 -1.7531E+01 1.0086E+01 -8.7260E+00 H2 3180 1.008000 0.423800 -1.7176E+01 1.0397E+01 -1.0289E+01 O6 3181 15.999400 -0.847600 -1.1451E+01 -1.5791E+01 -3.7948E+00 H1 3182 1.008000 0.423800 -1.1125E+01 -1.5261E+01 -4.5776E+00 H2 3183 1.008000 0.423800 -1.2239E+01 -1.5331E+01 -3.3854E+00 O6 3184 15.999400 -0.847600 1.3512E+01 1.6206E+01 6.9553E+00 H1 3185 1.008000 0.423800 1.3580E+01 1.6373E+01 7.9390E+00 H2 3186 1.008000 0.423800 1.4306E+01 1.5679E+01 6.6515E+00 O6 3187 15.999400 -0.847600 1.3190E+01 1.0437E+01 1.2841E+01 H1 3188 1.008000 0.423800 1.3830E+01 1.0187E+01 1.3567E+01 H2 3189 1.008000 0.423800 1.3092E+01 9.6718E+00 1.2204E+01 O6 3190 15.999400 -0.847600 1.6092E+01 -1.2919E+01 -1.5563E+01 H1 3191 1.008000 0.423800 1.5521E+01 -1.3211E+01 -1.4795E+01 H2 3192 1.008000 0.423800 1.6328E+01 -1.3713E+01 -1.6124E+01 O6 3193 15.999400 -0.847600 -1.5747E+01 -1.4909E+01 1.6135E+01 H1 3194 1.008000 0.423800 -1.5687E+01 -1.5631E+01 1.6825E+01 H2 3195 1.008000 0.423800 -1.4986E+01 -1.4271E+01 1.6253E+01 O6 3196 15.999400 -0.847600 1.8795E+01 -8.2825E-01 1.1453E+01 H1 3197 1.008000 0.423800 1.8657E+01 -1.0715E+00 1.0493E+01 H2 3198 1.008000 0.423800 -1.9343E+01 -5.8653E-01 1.1601E+01 O6 3199 15.999400 -0.847600 9.9630E+00 -5.2215E+00 5.7728E+00 H1 3200 1.008000 0.423800 1.0695E+01 -5.9015E+00 5.8081E+00 H2 3201 1.008000 0.423800 9.9599E+00 -4.7814E+00 4.8749E+00 O6 3202 15.999400 -0.847600 1.4331E+01 -4.6851E+00 1.1324E+01 H1 3203 1.008000 0.423800 1.5231E+01 -4.7614E+00 1.0893E+01 H2 3204 1.008000 0.423800 1.4425E+01 -4.2409E+00 1.2215E+01 O6 3205 15.999400 -0.847600 -1.0519E+01 -7.4094E-01 1.8017E+01 H1 3206 1.008000 0.423800 -9.6159E+00 -6.1665E-01 1.7607E+01 H2 3207 1.008000 0.423800 -1.1200E+01 -2.4151E-01 1.7481E+01 O6 3208 15.999400 -0.847600 -6.1975E-01 6.9981E+00 1.1574E+01 H1 3209 1.008000 0.423800 -6.2002E-01 6.0016E+00 1.1489E+01 H2 3210 1.008000 0.423800 2.3620E-01 7.2965E+00 1.1996E+01 O6 3211 15.999400 -0.847600 -1.5601E+01 1.4923E+01 -5.9065E+00 H1 3212 1.008000 0.423800 -1.5105E+01 1.5303E+01 -5.1256E+00 H2 3213 1.008000 0.423800 -1.6535E+01 1.4694E+01 -5.6293E+00 O6 3214 15.999400 -0.847600 -7.6772E+00 -1.5009E+01 -2.5594E+00 H1 3215 1.008000 0.423800 -7.5197E+00 -1.4157E+01 -2.0598E+00 H2 3216 1.008000 0.423800 -8.1906E+00 -1.4815E+01 -3.3953E+00 O6 3217 15.999400 -0.847600 -1.2066E+01 -9.0018E-01 6.6991E+00 H1 3218 1.008000 0.423800 -1.1691E+01 -1.4332E-01 7.2344E+00 H2 3219 1.008000 0.423800 -1.1865E+01 -1.7652E+00 7.1588E+00 O6 3220 15.999400 -0.847600 4.1984E+00 8.5395E+00 1.0429E+01 H1 3221 1.008000 0.423800 4.7502E+00 9.3510E+00 1.0621E+01 H2 3222 1.008000 0.423800 4.3286E+00 7.8676E+00 1.1158E+01 O6 3223 15.999400 -0.847600 -1.3012E+01 -7.6147E+00 -1.7287E+01 H1 3224 1.008000 0.423800 -1.3155E+01 -8.5656E+00 -1.7012E+01 H2 3225 1.008000 0.423800 -1.3596E+01 -7.4033E+00 -1.8071E+01 O6 3226 15.999400 -0.847600 9.8015E-01 1.4304E+01 1.0667E+01 H1 3227 1.008000 0.423800 1.0186E+00 1.4842E+01 1.1509E+01 H2 3228 1.008000 0.423800 7.3849E-01 1.4899E+01 9.9011E+00 O6 3229 15.999400 -0.847600 5.8990E+00 -5.2553E+00 -7.7233E+00 H1 3230 1.008000 0.423800 5.5904E+00 -5.9420E+00 -7.0650E+00 H2 3231 1.008000 0.423800 6.6998E+00 -5.5996E+00 -8.2133E+00 O6 3232 15.999400 -0.847600 -1.6019E+01 2.0093E+00 1.1131E+01 H1 3233 1.008000 0.423800 -1.6219E+01 2.4652E+00 1.1998E+01 H2 3234 1.008000 0.423800 -1.6324E+01 2.5864E+00 1.0373E+01 O6 3235 15.999400 -0.847600 8.1877E+00 9.5182E+00 -7.6728E+00 H1 3236 1.008000 0.423800 8.4089E+00 9.8050E+00 -8.6049E+00 H2 3237 1.008000 0.423800 7.6974E+00 1.0254E+01 -7.2054E+00 O6 3238 15.999400 -0.847600 -1.5587E+01 1.8292E+01 -6.9301E+00 H1 3239 1.008000 0.423800 -1.4891E+01 1.8484E+01 -6.2381E+00 H2 3240 1.008000 0.423800 -1.6487E+01 1.8255E+01 -6.4961E+00 O6 3241 15.999400 -0.847600 9.0744E+00 1.0801E+01 -1.1883E+01 H1 3242 1.008000 0.423800 9.4881E+00 1.1138E+01 -1.2729E+01 H2 3243 1.008000 0.423800 8.3522E+00 1.0145E+01 -1.2104E+01 O6 3244 15.999400 -0.847600 -1.1416E+01 1.3991E+01 -1.7356E+01 H1 3245 1.008000 0.423800 -1.0417E+01 1.3947E+01 -1.7337E+01 H2 3246 1.008000 0.423800 -1.1706E+01 1.4943E+01 -1.7458E+01 O6 3247 15.999400 -0.847600 3.3398E+00 1.4608E+01 4.6377E+00 H1 3248 1.008000 0.423800 2.8696E+00 1.4967E+01 5.4443E+00 H2 3249 1.008000 0.423800 4.1836E+00 1.5124E+01 4.4877E+00 O6 3250 15.999400 -0.847600 -1.6930E+00 1.3628E+01 1.2438E+01 H1 3251 1.008000 0.423800 -9.2264E-01 1.3049E+01 1.2171E+01 H2 3252 1.008000 0.423800 -1.6700E+00 1.3777E+01 1.3427E+01 O6 3253 15.999400 -0.847600 1.5390E+01 -1.3501E+01 -1.8448E+00 H1 3254 1.008000 0.423800 1.5545E+01 -1.4133E+01 -2.6034E+00 H2 3255 1.008000 0.423800 1.6236E+01 -1.3007E+01 -1.6446E+00 O6 3256 15.999400 -0.847600 1.4294E+01 2.4515E+00 2.1823E+00 H1 3257 1.008000 0.423800 1.4265E+01 3.1322E+00 2.9144E+00 H2 3258 1.008000 0.423800 1.4820E+01 1.6574E+00 2.4862E+00 O6 3259 15.999400 -0.847600 -8.0478E+00 6.6934E+00 1.3268E+01 H1 3260 1.008000 0.423800 -7.4422E+00 7.4498E+00 1.3515E+01 H2 3261 1.008000 0.423800 -7.8335E+00 6.3837E+00 1.2341E+01 O6 3262 15.999400 -0.847600 -3.5940E+00 -1.7741E+01 8.2714E+00 H1 3263 1.008000 0.423800 -2.8545E+00 -1.8205E+01 8.7591E+00 H2 3264 1.008000 0.423800 -4.1960E+00 -1.8421E+01 7.8536E+00 O6 3265 15.999400 -0.847600 -5.0217E+00 4.5573E+00 -1.0649E+00 H1 3266 1.008000 0.423800 -5.9640E+00 4.4272E+00 -1.3732E+00 H2 3267 1.008000 0.423800 -4.4579E+00 4.8582E+00 -1.8341E+00 O6 3268 15.999400 -0.847600 1.1735E+01 -1.2305E+01 1.0471E+01 H1 3269 1.008000 0.423800 1.2449E+01 -1.1803E+01 1.0959E+01 H2 3270 1.008000 0.423800 1.1625E+01 -1.1921E+01 9.5542E+00 O6 3271 15.999400 -0.847600 -4.0911E+00 -3.9148E-01 1.7295E+01 H1 3272 1.008000 0.423800 -4.5784E+00 4.8035E-01 1.7245E+01 H2 3273 1.008000 0.423800 -4.4391E+00 -1.0083E+00 1.6589E+01 O6 3274 15.999400 -0.847600 -2.0602E+00 -1.2224E+00 1.0035E+01 H1 3275 1.008000 0.423800 -1.4131E+00 -1.9117E+00 1.0360E+01 H2 3276 1.008000 0.423800 -1.7014E+00 -3.0970E-01 1.0230E+01 O6 3277 15.999400 -0.847600 7.3716E+00 -1.1780E+01 1.5307E+01 H1 3278 1.008000 0.423800 8.0456E+00 -1.2010E+01 1.4605E+01 H2 3279 1.008000 0.423800 7.5606E+00 -1.2306E+01 1.6136E+01 O6 3280 15.999400 -0.847600 -1.3945E+01 5.3433E+00 -1.0758E+01 H1 3281 1.008000 0.423800 -1.3658E+01 6.1392E+00 -1.0225E+01 H2 3282 1.008000 0.423800 -1.3269E+01 4.6131E+00 -1.0657E+01 O6 3283 15.999400 -0.847600 -1.4582E+01 -1.0728E+00 5.5459E+00 H1 3284 1.008000 0.423800 -1.5158E+01 -4.6057E-01 6.0871E+00 H2 3285 1.008000 0.423800 -1.3647E+01 -1.0495E+00 5.8996E+00 O6 3286 15.999400 -0.847600 1.0053E+01 2.8377E+00 -1.7782E+01 H1 3287 1.008000 0.423800 9.9554E+00 3.7211E+00 -1.7323E+01 H2 3288 1.008000 0.423800 9.1530E+00 2.4123E+00 -1.7880E+01 O6 3289 15.999400 -0.847600 -2.9161E+00 1.8383E+01 -4.1707E+00 H1 3290 1.008000 0.423800 -2.1883E+00 1.8315E+01 -4.8532E+00 H2 3291 1.008000 0.423800 -3.6618E+00 1.8942E+01 -4.5332E+00 O6 3292 15.999400 -0.847600 1.3735E+01 5.9412E+00 7.4935E+00 H1 3293 1.008000 0.423800 1.4571E+01 6.3511E+00 7.1289E+00 H2 3294 1.008000 0.423800 1.2940E+01 6.4185E+00 7.1202E+00 O6 3295 15.999400 -0.847600 1.6358E+01 1.3233E+01 -1.8335E+01 H1 3296 1.008000 0.423800 1.6279E+01 1.4044E+01 -1.8914E+01 H2 3297 1.008000 0.423800 1.7110E+01 1.3358E+01 -1.7688E+01 O6 3298 15.999400 -0.847600 -1.6957E+01 -6.4130E+00 -1.6781E+00 H1 3299 1.008000 0.423800 -1.6538E+01 -5.8206E+00 -9.9048E-01 H2 3300 1.008000 0.423800 -1.6913E+01 -5.9687E+00 -2.5729E+00 O6 3301 15.999400 -0.847600 -1.1512E+01 -1.0848E+01 1.0573E+01 H1 3302 1.008000 0.423800 -1.1793E+01 -9.9432E+00 1.0253E+01 H2 3303 1.008000 0.423800 -1.1986E+01 -1.1061E+01 1.1427E+01 O6 3304 15.999400 -0.847600 -6.4689E+00 -1.2537E+01 1.6785E+00 H1 3305 1.008000 0.423800 -7.3520E+00 -1.2823E+01 2.0505E+00 H2 3306 1.008000 0.423800 -6.3835E+00 -1.2861E+01 7.3627E-01 O6 3307 15.999400 -0.847600 3.0145E+00 3.8048E+00 8.5735E+00 H1 3308 1.008000 0.423800 2.6682E+00 3.1787E+00 9.2721E+00 H2 3309 1.008000 0.423800 3.9758E+00 3.5999E+00 8.3893E+00 O6 3310 15.999400 -0.847600 -1.2252E+01 1.1058E+01 -1.1113E-01 H1 3311 1.008000 0.423800 -1.2695E+01 1.1946E+01 9.0444E-03 H2 3312 1.008000 0.423800 -1.1432E+01 1.1168E+01 -6.7392E-01 O6 3313 15.999400 -0.847600 1.6032E+01 1.0195E+01 1.1887E+01 H1 3314 1.008000 0.423800 1.5384E+01 9.5961E+00 1.1417E+01 H2 3315 1.008000 0.423800 1.6961E+01 9.9825E+00 1.1585E+01 O6 3316 15.999400 -0.847600 -1.6615E+00 -2.2251E+00 1.7641E+01 H1 3317 1.008000 0.423800 -2.1685E+00 -2.9649E+00 1.8083E+01 H2 3318 1.008000 0.423800 -2.2898E+00 -1.4822E+00 1.7410E+01 O6 3319 15.999400 -0.847600 -3.6062E+00 -1.4718E+01 1.6751E+01 H1 3320 1.008000 0.423800 -4.2162E+00 -1.5499E+01 1.6619E+01 H2 3321 1.008000 0.423800 -3.6217E+00 -1.4142E+01 1.5933E+01 O6 3322 15.999400 -0.847600 7.3137E+00 -1.0797E+00 -1.1081E+01 H1 3323 1.008000 0.423800 6.8920E+00 -3.0256E-01 -1.1548E+01 H2 3324 1.008000 0.423800 7.3796E+00 -8.8442E-01 -1.0103E+01 O6 3325 15.999400 -0.847600 1.2573E+01 -5.7023E+00 -1.7544E+00 H1 3326 1.008000 0.423800 1.1694E+01 -5.8935E+00 -2.1908E+00 H2 3327 1.008000 0.423800 1.3296E+01 -5.7042E+00 -2.4458E+00 O6 3328 15.999400 -0.847600 -1.7172E+01 4.4718E+00 1.8499E+01 H1 3329 1.008000 0.423800 -1.7656E+01 3.7295E+00 1.8035E+01 H2 3330 1.008000 0.423800 -1.7221E+01 4.3349E+00 1.9488E+01 O6 3331 15.999400 -0.847600 -4.2123E+00 -4.6908E-01 1.1737E+01 H1 3332 1.008000 0.423800 -4.2384E+00 -6.8289E-01 1.0761E+01 H2 3333 1.008000 0.423800 -3.5242E+00 -1.0399E+00 1.2185E+01 O6 3334 15.999400 -0.847600 -3.4634E+00 3.6345E+00 -1.7975E+01 H1 3335 1.008000 0.423800 -3.4444E+00 2.6512E+00 -1.8156E+01 H2 3336 1.008000 0.423800 -4.3784E+00 3.8998E+00 -1.7671E+01 O6 3337 15.999400 -0.847600 -1.5323E+00 -4.3404E+00 1.5473E+01 H1 3338 1.008000 0.423800 -9.4830E-01 -4.5165E+00 1.6266E+01 H2 3339 1.008000 0.423800 -1.6648E+00 -3.3547E+00 1.5369E+01 O6 3340 15.999400 -0.847600 3.6150E+00 2.3583E+00 -1.1943E+01 H1 3341 1.008000 0.423800 3.1557E+00 1.6335E+00 -1.1429E+01 H2 3342 1.008000 0.423800 2.9357E+00 3.0110E+00 -1.2278E+01 O6 3343 15.999400 -0.847600 9.0110E+00 -1.9199E+01 -6.7522E+00 H1 3344 1.008000 0.423800 8.1318E+00 -1.9255E+01 -6.2790E+00 H2 3345 1.008000 0.423800 9.5060E+00 1.9037E+01 -6.6385E+00 O6 3346 15.999400 -0.847600 7.5843E+00 1.6921E+01 -8.3883E+00 H1 3347 1.008000 0.423800 6.9253E+00 1.7462E+01 -8.9111E+00 H2 3348 1.008000 0.423800 7.9739E+00 1.6212E+01 -8.9758E+00 O6 3349 15.999400 -0.847600 -1.6339E+01 -1.8945E+01 -8.8083E+00 H1 3350 1.008000 0.423800 -1.5605E+01 -1.8779E+01 -9.4672E+00 H2 3351 1.008000 0.423800 -1.6065E+01 1.9425E+01 -8.1801E+00 O6 3352 15.999400 -0.847600 1.1573E+01 -1.8932E+01 1.6231E+01 H1 3353 1.008000 0.423800 1.2389E+01 -1.9049E+01 1.5666E+01 H2 3354 1.008000 0.423800 1.0763E+01 -1.9195E+01 1.5706E+01 O6 3355 15.999400 -0.847600 2.0383E+00 -8.6174E+00 -5.9271E+00 H1 3356 1.008000 0.423800 1.7435E+00 -9.3844E+00 -5.3571E+00 H2 3357 1.008000 0.423800 1.5156E+00 -7.8006E+00 -5.6829E+00 O6 3358 15.999400 -0.847600 2.3712E+00 7.3931E+00 -1.3711E+01 H1 3359 1.008000 0.423800 2.4757E+00 7.6333E+00 -1.2746E+01 H2 3360 1.008000 0.423800 1.4387E+00 7.6001E+00 -1.4007E+01 O6 3361 15.999400 -0.847600 1.7663E+01 1.1203E+00 1.3156E+01 H1 3362 1.008000 0.423800 1.6693E+01 9.0935E-01 1.3281E+01 H2 3363 1.008000 0.423800 1.8110E+01 3.6272E-01 1.2681E+01 O6 3364 15.999400 -0.847600 1.1536E+01 1.6690E+01 -1.6844E+01 H1 3365 1.008000 0.423800 1.1641E+01 1.6660E+01 -1.7838E+01 H2 3366 1.008000 0.423800 1.2066E+01 1.5950E+01 -1.6431E+01 O6 3367 15.999400 -0.847600 1.1410E+01 -7.2254E+00 6.5596E+00 H1 3368 1.008000 0.423800 1.0793E+01 -7.7587E+00 7.1386E+00 H2 3369 1.008000 0.423800 1.2200E+01 -6.9320E+00 7.0967E+00 O6 3370 15.999400 -0.847600 1.4724E+01 -7.3707E+00 -2.9511E+00 H1 3371 1.008000 0.423800 1.4867E+01 -8.3130E+00 -3.2537E+00 H2 3372 1.008000 0.423800 1.5536E+01 -7.0505E+00 -2.4629E+00 O6 3373 15.999400 -0.847600 1.0431E+01 1.2912E+01 4.3946E+00 H1 3374 1.008000 0.423800 9.4910E+00 1.3045E+01 4.0812E+00 H2 3375 1.008000 0.423800 1.0874E+01 1.3802E+01 4.5045E+00 O6 3376 15.999400 -0.847600 -1.3682E+01 3.5282E+00 1.5543E+01 H1 3377 1.008000 0.423800 -1.3577E+01 4.4852E+00 1.5273E+01 H2 3378 1.008000 0.423800 -1.4036E+01 3.0007E+00 1.4771E+01 O6 3379 15.999400 -0.847600 8.1337E+00 9.6774E-01 1.1198E+01 H1 3380 1.008000 0.423800 7.2300E+00 6.5111E-01 1.0910E+01 H2 3381 1.008000 0.423800 8.8255E+00 3.0363E-01 1.0914E+01 O6 3382 15.999400 -0.847600 -3.5938E+00 3.2951E+00 3.3388E+00 H1 3383 1.008000 0.423800 -3.2556E+00 4.1987E+00 3.0757E+00 H2 3384 1.008000 0.423800 -3.2856E+00 2.6167E+00 2.6720E+00 O6 3385 15.999400 -0.847600 -1.7160E+01 7.6750E+00 8.9729E+00 H1 3386 1.008000 0.423800 -1.6491E+01 7.0299E+00 9.3421E+00 H2 3387 1.008000 0.423800 -1.7843E+01 7.8835E+00 9.6728E+00 O6 3388 15.999400 -0.847600 1.2957E+01 -5.1981E+00 -1.2366E+01 H1 3389 1.008000 0.423800 1.1997E+01 -5.0001E+00 -1.2168E+01 H2 3390 1.008000 0.423800 1.3061E+01 -5.3967E+00 -1.3341E+01 O6 3391 15.999400 -0.847600 -9.7118E+00 1.1406E+01 2.9034E+00 H1 3392 1.008000 0.423800 -9.3853E+00 1.2275E+01 2.5310E+00 H2 3393 1.008000 0.423800 -8.9297E+00 1.0824E+01 3.1274E+00 O6 3394 15.999400 -0.847600 -1.7207E+01 1.4388E+01 6.2245E+00 H1 3395 1.008000 0.423800 -1.6749E+01 1.5252E+01 6.0149E+00 H2 3396 1.008000 0.423800 -1.6821E+01 1.3660E+01 5.6586E+00 O6 3397 15.999400 -0.847600 -8.1302E+00 -3.9790E-01 1.6162E+01 H1 3398 1.008000 0.423800 -8.2418E+00 3.9340E-01 1.5560E+01 H2 3399 1.008000 0.423800 -8.0423E+00 -1.2266E+00 1.5609E+01 O6 3400 15.999400 -0.847600 -1.7780E+01 6.5402E+00 -6.5326E+00 H1 3401 1.008000 0.423800 -1.7787E+01 5.7611E+00 -5.9057E+00 H2 3402 1.008000 0.423800 -1.7089E+01 7.2000E+00 -6.2369E+00 O6 3403 15.999400 -0.847600 8.1152E+00 -1.7092E+01 -1.8536E+01 H1 3404 1.008000 0.423800 7.8157E+00 -1.6347E+01 -1.7939E+01 H2 3405 1.008000 0.423800 9.0863E+00 -1.7273E+01 -1.8381E+01 O6 3406 15.999400 -0.847600 1.2172E+01 1.2777E+01 1.7527E+01 H1 3407 1.008000 0.423800 1.2790E+01 1.2258E+01 1.6936E+01 H2 3408 1.008000 0.423800 1.2591E+01 1.2892E+01 1.8428E+01 O6 3409 15.999400 -0.847600 1.7913E+01 -1.2732E+01 -6.6147E-01 H1 3410 1.008000 0.423800 1.7666E+01 -1.3460E+01 -2.1392E-02 H2 3411 1.008000 0.423800 1.8692E+01 -1.2220E+01 -2.9900E-01 O6 3412 15.999400 -0.847600 3.1079E+00 -9.5662E+00 8.7747E+00 H1 3413 1.008000 0.423800 3.9010E+00 -8.9805E+00 8.6072E+00 H2 3414 1.008000 0.423800 2.5504E+00 -9.6173E+00 7.9461E+00 O6 3415 15.999400 -0.847600 -8.1408E+00 1.6517E+01 1.8533E+01 H1 3416 1.008000 0.423800 -8.6787E+00 1.5768E+01 1.8919E+01 H2 3417 1.008000 0.423800 -8.0051E+00 1.7223E+01 1.9228E+01 O6 3418 15.999400 -0.847600 -1.7953E+01 1.4608E+01 8.9559E+00 H1 3419 1.008000 0.423800 -1.7706E+01 1.4271E+01 8.0473E+00 H2 3420 1.008000 0.423800 -1.8120E+01 1.5593E+01 8.9119E+00 O6 3421 15.999400 -0.847600 1.2302E+01 2.8858E+00 -1.9446E+01 H1 3422 1.008000 0.423800 1.1557E+01 3.0453E+00 -1.8798E+01 H2 3423 1.008000 0.423800 1.2407E+01 3.6856E+00 1.9061E+01 O6 3424 15.999400 -0.847600 1.9536E+01 5.3703E+00 1.2222E+01 H1 3425 1.008000 0.423800 -1.9532E+01 4.4095E+00 1.2498E+01 H2 3426 1.008000 0.423800 -1.8680E+01 5.8007E+00 1.2419E+01 O6 3427 15.999400 -0.847600 1.0228E+01 -1.4968E+01 -4.8119E+00 H1 3428 1.008000 0.423800 1.1061E+01 -1.4726E+01 -4.3150E+00 H2 3429 1.008000 0.423800 9.4664E+00 -1.4414E+01 -4.4762E+00 O6 3430 15.999400 -0.847600 1.0876E-01 1.9408E+01 -6.9945E+00 H1 3431 1.008000 0.423800 -4.8336E-01 1.8602E+01 -7.0243E+00 H2 3432 1.008000 0.423800 7.5756E-01 1.9372E+01 -7.7546E+00 O6 3433 15.999400 -0.847600 -1.2023E+01 1.8861E+01 -1.0161E+01 H1 3434 1.008000 0.423800 -1.1229E+01 1.9253E+01 -1.0624E+01 H2 3435 1.008000 0.423800 -1.2091E+01 1.7888E+01 -1.0381E+01 O6 3436 15.999400 -0.847600 1.5134E+01 -1.3284E+01 1.6000E+01 H1 3437 1.008000 0.423800 1.5161E+01 -1.3229E+01 1.6998E+01 H2 3438 1.008000 0.423800 1.6067E+01 -1.3303E+01 1.5642E+01 O6 3439 15.999400 -0.847600 -2.6413E+00 1.1898E+01 1.7636E+01 H1 3440 1.008000 0.423800 -3.0273E+00 1.1654E+01 1.6746E+01 H2 3441 1.008000 0.423800 -3.3569E+00 1.2290E+01 1.8213E+01 O6 3442 15.999400 -0.847600 1.9547E+01 5.8045E+00 1.5878E+01 H1 3443 1.008000 0.423800 1.8976E+01 6.3746E+00 1.5287E+01 H2 3444 1.008000 0.423800 -1.9301E+01 4.9669E+00 1.5392E+01 O6 3445 15.999400 -0.847600 -7.7846E+00 5.9548E+00 2.0726E+00 H1 3446 1.008000 0.423800 -8.0343E+00 5.3184E+00 1.3427E+00 H2 3447 1.008000 0.423800 -6.8554E+00 6.2907E+00 1.9184E+00 O6 3448 15.999400 -0.847600 -1.0849E+01 -5.9451E+00 5.3307E+00 H1 3449 1.008000 0.423800 -1.0171E+01 -6.1030E+00 4.6123E+00 H2 3450 1.008000 0.423800 -1.1715E+01 -5.6669E+00 4.9162E+00 O6 3451 15.999400 -0.847600 -6.1590E+00 -1.1270E+01 -8.0330E+00 H1 3452 1.008000 0.423800 -5.4449E+00 -1.1824E+01 -7.6057E+00 H2 3453 1.008000 0.423800 -7.0368E+00 -1.1743E+01 -7.9603E+00 O6 3454 15.999400 -0.847600 5.5204E+00 1.6856E+01 1.1119E+01 H1 3455 1.008000 0.423800 6.3838E+00 1.6836E+01 1.0615E+01 H2 3456 1.008000 0.423800 5.4318E+00 1.6020E+01 1.1661E+01 O6 3457 15.999400 -0.847600 -1.2372E+01 6.8076E+00 -6.0075E+00 H1 3458 1.008000 0.423800 -1.3065E+01 6.8193E+00 -6.7284E+00 H2 3459 1.008000 0.423800 -1.2665E+01 7.3974E+00 -5.2547E+00 O6 3460 15.999400 -0.847600 -8.0098E+00 -1.9045E+00 1.1010E+01 H1 3461 1.008000 0.423800 -8.0896E+00 -1.0981E+00 1.1596E+01 H2 3462 1.008000 0.423800 -7.2287E+00 -2.4548E+00 1.1305E+01 O6 3463 15.999400 -0.847600 1.3148E+01 -3.4403E+00 4.9489E+00 H1 3464 1.008000 0.423800 1.2697E+01 -2.6586E+00 4.5189E+00 H2 3465 1.008000 0.423800 1.2933E+01 -4.2723E+00 4.4377E+00 O6 3466 15.999400 -0.847600 -7.0744E+00 -1.4517E+01 1.6383E+01 H1 3467 1.008000 0.423800 -7.4596E+00 -1.5060E+01 1.7129E+01 H2 3468 1.008000 0.423800 -7.3347E+00 -1.4921E+01 1.5507E+01 O6 3469 15.999400 -0.847600 -1.0218E+01 6.1383E+00 1.8589E+01 H1 3470 1.008000 0.423800 -1.0531E+01 6.9217E+00 1.8052E+01 H2 3471 1.008000 0.423800 -1.0767E+01 5.3353E+00 1.8359E+01 O6 3472 15.999400 -0.847600 -1.0770E+01 6.2366E+00 6.5075E+00 H1 3473 1.008000 0.423800 -1.0264E+01 5.5207E+00 6.9885E+00 H2 3474 1.008000 0.423800 -1.0139E+01 6.9590E+00 6.2254E+00 O6 3475 15.999400 -0.847600 -5.6578E+00 7.6189E+00 1.5436E+01 H1 3476 1.008000 0.423800 -6.5452E+00 7.6972E+00 1.5890E+01 H2 3477 1.008000 0.423800 -4.9666E+00 8.1075E+00 1.5968E+01 O6 3478 15.999400 -0.847600 -9.9412E+00 -3.0157E+00 1.6479E+01 H1 3479 1.008000 0.423800 -1.0664E+01 -2.8922E+00 1.7159E+01 H2 3480 1.008000 0.423800 -1.0076E+01 -2.3691E+00 1.5728E+01 O6 3481 15.999400 -0.847600 1.2095E+00 1.7187E+01 -9.7144E+00 H1 3482 1.008000 0.423800 8.2348E-01 1.8106E+01 -9.7945E+00 H2 3483 1.008000 0.423800 4.6898E-01 1.6515E+01 -9.6914E+00 O6 3484 15.999400 -0.847600 -8.1560E+00 -7.2785E+00 7.0706E+00 H1 3485 1.008000 0.423800 -8.4098E+00 -8.1988E+00 7.3686E+00 H2 3486 1.008000 0.423800 -8.6732E+00 -7.0399E+00 6.2486E+00 O6 3487 15.999400 -0.847600 -1.1583E+01 -1.4058E+01 1.3781E-02 H1 3488 1.008000 0.423800 -1.0852E+01 -1.3975E+01 -6.6337E-01 H2 3489 1.008000 0.423800 -1.2157E+01 -1.4846E+01 -2.1029E-01 O6 3490 15.999400 -0.847600 -1.6940E+01 1.5032E+01 2.3391E+00 H1 3491 1.008000 0.423800 -1.7633E+01 1.4329E+01 2.4955E+00 H2 3492 1.008000 0.423800 -1.6077E+01 1.4747E+01 2.7571E+00 O6 3493 15.999400 -0.847600 -8.0825E-01 -1.6142E+01 -3.4532E+00 H1 3494 1.008000 0.423800 -7.3639E-01 -1.7139E+01 -3.4177E+00 H2 3495 1.008000 0.423800 -1.7053E+00 -1.5861E+01 -3.1128E+00 O6 3496 15.999400 -0.847600 -2.4770E+00 4.6718E+00 -1.3189E+01 H1 3497 1.008000 0.423800 -2.2318E+00 4.5697E+00 -1.4153E+01 H2 3498 1.008000 0.423800 -2.1188E+00 3.8958E+00 -1.2670E+01 O6 3499 15.999400 -0.847600 1.8276E+01 1.7839E+01 -1.2181E+01 H1 3500 1.008000 0.423800 1.8670E+01 1.8453E+01 -1.2865E+01 H2 3501 1.008000 0.423800 1.8272E+01 1.6904E+01 -1.2535E+01 O6 3502 15.999400 -0.847600 -6.1951E-01 -3.9163E+00 -1.1594E+01 H1 3503 1.008000 0.423800 -9.1927E-01 -4.7235E+00 -1.2102E+01 H2 3504 1.008000 0.423800 -1.2473E+00 -3.7493E+00 -1.0834E+01 O6 3505 15.999400 -0.847600 8.3051E+00 -1.4761E+01 -1.7427E+01 H1 3506 1.008000 0.423800 7.4213E+00 -1.4372E+01 -1.7167E+01 H2 3507 1.008000 0.423800 8.9345E+00 -1.4704E+01 -1.6652E+01 O6 3508 15.999400 -0.847600 -1.8146E+01 1.7465E+01 1.7065E+01 H1 3509 1.008000 0.423800 -1.8869E+01 1.6989E+01 1.6564E+01 H2 3510 1.008000 0.423800 -1.7984E+01 1.7002E+01 1.7937E+01 O6 3511 15.999400 -0.847600 -2.6147E+00 -5.9653E+00 3.0576E+00 H1 3512 1.008000 0.423800 -2.3173E+00 -6.9047E+00 2.8871E+00 H2 3513 1.008000 0.423800 -3.1538E+00 -5.9340E+00 3.8993E+00 O6 3514 15.999400 -0.847600 -1.7653E+01 -2.6474E-03 1.1426E+01 H1 3515 1.008000 0.423800 -1.7047E+01 -7.5591E-01 1.1681E+01 H2 3516 1.008000 0.423800 -1.7118E+01 8.3585E-01 1.1323E+01 O6 3517 15.999400 -0.847600 4.8916E+00 6.2784E+00 -4.2612E+00 H1 3518 1.008000 0.423800 5.2102E+00 6.9572E+00 -3.5997E+00 H2 3519 1.008000 0.423800 5.6791E+00 5.8466E+00 -4.7011E+00 O6 3520 15.999400 -0.847600 1.9040E+01 7.6727E+00 9.5869E+00 H1 3521 1.008000 0.423800 1.8784E+01 8.5553E+00 9.9814E+00 H2 3522 1.008000 0.423800 1.8408E+01 6.9679E+00 9.9093E+00 O6 3523 15.999400 -0.847600 -1.3832E+01 6.3682E+00 1.5063E+01 H1 3524 1.008000 0.423800 -1.4444E+01 6.5994E+00 1.4307E+01 H2 3525 1.008000 0.423800 -1.4069E+01 6.9172E+00 1.5865E+01 O6 3526 15.999400 -0.847600 -1.3937E+01 2.8346E+00 -7.0545E+00 H1 3527 1.008000 0.423800 -1.4444E+01 2.2173E+00 -7.6563E+00 H2 3528 1.008000 0.423800 -1.4400E+01 3.7204E+00 -7.0195E+00 O6 3529 15.999400 -0.847600 3.9479E+00 1.5079E+00 1.9445E+01 H1 3530 1.008000 0.423800 3.0609E+00 1.2140E+00 -1.9297E+01 H2 3531 1.008000 0.423800 4.1065E+00 1.0831E+00 1.8553E+01 O6 3532 15.999400 -0.847600 3.5103E+00 -1.7521E+01 5.4270E+00 H1 3533 1.008000 0.423800 3.8447E+00 -1.8312E+01 4.9143E+00 H2 3534 1.008000 0.423800 3.9119E+00 -1.7523E+01 6.3429E+00 O6 3535 15.999400 -0.847600 -7.4189E+00 9.9525E+00 4.0332E+00 H1 3536 1.008000 0.423800 -6.8980E+00 9.7827E+00 3.1966E+00 H2 3537 1.008000 0.423800 -6.9916E+00 1.0697E+01 4.5466E+00 O6 3538 15.999400 -0.847600 -1.2659E+01 -9.8180E+00 -7.4743E+00 H1 3539 1.008000 0.423800 -1.2706E+01 -8.8194E+00 -7.4487E+00 H2 3540 1.008000 0.423800 -1.3508E+01 -1.0182E+01 -7.8569E+00 O6 3541 15.999400 -0.847600 1.5977E+01 1.4328E+01 9.3837E+00 H1 3542 1.008000 0.423800 1.5030E+01 1.4451E+01 9.6807E+00 H2 3543 1.008000 0.423800 1.6080E+01 1.3428E+01 8.9615E+00 O6 3544 15.999400 -0.847600 3.6556E+00 -1.8152E+01 -2.2574E+00 H1 3545 1.008000 0.423800 4.5682E+00 -1.7892E+01 -1.9419E+00 H2 3546 1.008000 0.423800 3.0286E+00 -1.8178E+01 -1.4788E+00 O6 3547 15.999400 -0.847600 1.3802E+01 1.7576E+01 -4.5689E-01 H1 3548 1.008000 0.423800 1.4800E+01 1.7640E+01 -4.4521E-01 H2 3549 1.008000 0.423800 1.3505E+01 1.6880E+01 1.9727E-01 O6 3550 15.999400 -0.847600 -4.8793E+00 -1.4958E+01 4.5851E+00 H1 3551 1.008000 0.423800 -4.2291E+00 -1.5171E+01 5.3143E+00 H2 3552 1.008000 0.423800 -4.7089E+00 -1.4033E+01 4.2466E+00 O6 3553 15.999400 -0.847600 -6.1713E+00 -6.4589E+00 8.4617E+00 H1 3554 1.008000 0.423800 -6.0211E+00 -5.6136E+00 7.9489E+00 H2 3555 1.008000 0.423800 -6.9011E+00 -6.9869E+00 8.0274E+00 O6 3556 15.999400 -0.847600 -5.7898E+00 1.8350E+01 1.6207E+01 H1 3557 1.008000 0.423800 -5.1588E+00 1.7980E+01 1.5526E+01 H2 3558 1.008000 0.423800 -6.7283E+00 1.8114E+01 1.5956E+01 O6 3559 15.999400 -0.847600 1.3374E+01 -5.8173E+00 -1.5241E+01 H1 3560 1.008000 0.423800 1.3954E+01 -5.0025E+00 -1.5227E+01 H2 3561 1.008000 0.423800 1.2877E+01 -5.8570E+00 -1.6108E+01 O6 3562 15.999400 -0.847600 -3.1922E+00 1.3619E+00 1.5944E+00 H1 3563 1.008000 0.423800 -3.4049E+00 1.8018E+00 7.2188E-01 H2 3564 1.008000 0.423800 -3.6361E+00 4.6669E-01 1.6333E+00 O6 3565 15.999400 -0.847600 -2.0380E+00 1.7129E+01 6.4233E+00 H1 3566 1.008000 0.423800 -1.5604E+00 1.6705E+01 5.6537E+00 H2 3567 1.008000 0.423800 -2.7443E+00 1.7747E+01 6.0776E+00 O6 3568 15.999400 -0.847600 1.6209E+01 4.9461E-01 -1.6667E+01 H1 3569 1.008000 0.423800 1.6740E+01 1.0720E+00 -1.7288E+01 H2 3570 1.008000 0.423800 1.6539E+01 -4.4758E-01 -1.6724E+01 O6 3571 15.999400 -0.847600 -9.8311E+00 -6.6298E+00 -6.4468E+00 H1 3572 1.008000 0.423800 -9.3253E+00 -6.8184E+00 -7.2887E+00 H2 3573 1.008000 0.423800 -9.3624E+00 -7.0570E+00 -5.6736E+00 O6 3574 15.999400 -0.847600 -1.3374E+01 1.6473E-01 -1.8455E+01 H1 3575 1.008000 0.423800 -1.2549E+01 1.4040E-01 -1.7890E+01 H2 3576 1.008000 0.423800 -1.4139E+01 5.1300E-01 -1.7912E+01 O6 3577 15.999400 -0.847600 -1.0282E+01 -9.7956E+00 5.6548E+00 H1 3578 1.008000 0.423800 -1.1229E+01 -9.8461E+00 5.3378E+00 H2 3579 1.008000 0.423800 -9.7360E+00 -9.2806E+00 4.9937E+00 O6 3580 15.999400 -0.847600 -6.6583E+00 7.3649E+00 -2.3697E+00 H1 3581 1.008000 0.423800 -6.8752E+00 8.0025E+00 -1.6304E+00 H2 3582 1.008000 0.423800 -7.3050E+00 7.4937E+00 -3.1214E+00 O6 3583 15.999400 -0.847600 -1.7337E+01 6.9510E+00 -1.7311E+00 H1 3584 1.008000 0.423800 -1.6767E+01 7.1154E+00 -2.5358E+00 H2 3585 1.008000 0.423800 -1.8265E+01 6.7162E+00 -2.0224E+00 O6 3586 15.999400 -0.847600 -5.3861E+00 1.0088E+01 -8.0327E+00 H1 3587 1.008000 0.423800 -4.7080E+00 1.0764E+01 -7.7437E+00 H2 3588 1.008000 0.423800 -5.7242E+00 9.5920E+00 -7.2329E+00 O6 3589 15.999400 -0.847600 7.0165E+00 3.9618E+00 1.3388E+01 H1 3590 1.008000 0.423800 7.5556E+00 4.7844E+00 1.3207E+01 H2 3591 1.008000 0.423800 7.6063E+00 3.2568E+00 1.3782E+01 O6 3592 15.999400 -0.847600 1.3299E+01 2.3689E-01 -9.8444E+00 H1 3593 1.008000 0.423800 1.3936E+01 -4.5193E-01 -9.4993E+00 H2 3594 1.008000 0.423800 1.3464E+01 3.8587E-01 -1.0819E+01 O6 3595 15.999400 -0.847600 -1.3080E+01 -5.8207E+00 -9.5182E-01 H1 3596 1.008000 0.423800 -1.3251E+01 -6.4935E+00 -2.3195E-01 H2 3597 1.008000 0.423800 -1.3151E+01 -4.8991E+00 -5.7033E-01 O6 3598 15.999400 -0.847600 -1.1892E+01 -2.9026E+00 -1.0685E+01 H1 3599 1.008000 0.423800 -1.2593E+01 -2.9159E+00 -1.1398E+01 H2 3600 1.008000 0.423800 -1.2327E+01 -2.7856E+00 -9.7919E+00 O6 3601 15.999400 -0.847600 1.7605E+01 1.9466E+01 -3.2201E+00 H1 3602 1.008000 0.423800 1.6750E+01 -1.9116E+01 -3.2667E+00 H2 3603 1.008000 0.423800 1.8074E+01 -1.9422E+01 -2.3624E+00 O6 3604 15.999400 -0.847600 1.8238E+01 1.5468E+01 -1.3389E+01 H1 3605 1.008000 0.423800 1.8061E+01 1.4662E+01 -1.2824E+01 H2 3606 1.008000 0.423800 1.7755E+01 1.5377E+01 -1.4260E+01 O6 3607 15.999400 -0.847600 5.8360E+00 5.0545E+00 3.2803E+00 H1 3608 1.008000 0.423800 6.5156E+00 4.3402E+00 3.4472E+00 H2 3609 1.008000 0.423800 4.9180E+00 4.6652E+00 3.3550E+00 O6 3610 15.999400 -0.847600 -1.7871E+01 1.5852E+01 -3.4502E-01 H1 3611 1.008000 0.423800 -1.7700E+01 1.5409E+01 5.3495E-01 H2 3612 1.008000 0.423800 -1.8309E+01 1.5201E+01 -9.6595E-01 O6 3613 15.999400 -0.847600 -1.7166E+01 1.0439E+01 4.7352E+00 H1 3614 1.008000 0.423800 -1.7911E+01 1.0637E+01 4.0981E+00 H2 3615 1.008000 0.423800 -1.7546E+01 1.0200E+01 5.6289E+00 O6 3616 15.999400 -0.847600 -5.6987E+00 1.3711E+01 -1.0538E+01 H1 3617 1.008000 0.423800 -4.7456E+00 1.3601E+01 -1.0256E+01 H2 3618 1.008000 0.423800 -5.9582E+00 1.2954E+01 -1.1138E+01 O6 3619 15.999400 -0.847600 -5.4152E+00 1.7464E+01 -1.2538E+01 H1 3620 1.008000 0.423800 -5.7444E+00 1.8392E+01 -1.2367E+01 H2 3621 1.008000 0.423800 -4.4459E+00 1.7494E+01 -1.2782E+01 O6 3622 15.999400 -0.847600 -1.1711E+01 -1.4534E+01 1.5872E+01 H1 3623 1.008000 0.423800 -1.1378E+01 -1.4379E+01 1.6802E+01 H2 3624 1.008000 0.423800 -1.2592E+01 -1.4077E+01 1.5753E+01 O6 3625 15.999400 -0.847600 9.6829E+00 -1.9457E+01 -1.1568E+01 H1 3626 1.008000 0.423800 9.0632E+00 1.9400E+01 -1.0821E+01 H2 3627 1.008000 0.423800 1.0588E+01 -1.9248E+01 -1.1197E+01 O6 3628 15.999400 -0.847600 -3.7246E+00 -1.2494E+01 -7.1849E+00 H1 3629 1.008000 0.423800 -3.5083E+00 -1.2893E+01 -8.0763E+00 H2 3630 1.008000 0.423800 -2.8763E+00 -1.2293E+01 -6.6952E+00 O6 3631 15.999400 -0.847600 1.9107E+01 -9.4977E+00 6.9290E+00 H1 3632 1.008000 0.423800 1.8798E+01 -8.6564E+00 7.3725E+00 H2 3633 1.008000 0.423800 1.8367E+01 -1.0170E+01 6.9368E+00 O6 3634 15.999400 -0.847600 9.1643E+00 9.4463E+00 9.4113E+00 H1 3635 1.008000 0.423800 8.8995E+00 9.7228E+00 8.4875E+00 H2 3636 1.008000 0.423800 8.7876E+00 1.0094E+01 1.0074E+01 O6 3637 15.999400 -0.847600 7.1327E+00 -8.9041E+00 1.0703E+01 H1 3638 1.008000 0.423800 6.2817E+00 -9.2375E+00 1.1109E+01 H2 3639 1.008000 0.423800 7.9064E+00 -9.1939E+00 1.1267E+01 O6 3640 15.999400 -0.847600 7.0391E+00 4.9472E+00 1.0116E+01 H1 3641 1.008000 0.423800 7.0923E+00 5.8931E+00 1.0436E+01 H2 3642 1.008000 0.423800 7.3660E+00 4.3334E+00 1.0835E+01 O6 3643 15.999400 -0.847600 1.3152E+01 1.1325E+01 -3.1186E+00 H1 3644 1.008000 0.423800 1.2642E+01 1.1401E+01 -3.9756E+00 H2 3645 1.008000 0.423800 1.3669E+01 1.2166E+01 -2.9628E+00 O6 3646 15.999400 -0.847600 1.8602E+00 -1.5164E+01 -1.5568E+01 H1 3647 1.008000 0.423800 1.9192E+00 -1.4182E+01 -1.5747E+01 H2 3648 1.008000 0.423800 1.4344E+00 -1.5620E+01 -1.6349E+01 O6 3649 15.999400 -0.847600 -1.8290E+01 -1.6229E+01 -2.2572E+00 H1 3650 1.008000 0.423800 -1.9102E+01 -1.6247E+01 -2.8402E+00 H2 3651 1.008000 0.423800 -1.7971E+01 -1.5287E+01 -2.1576E+00 O6 3652 15.999400 -0.847600 -8.8272E+00 -1.8449E+01 9.5809E+00 H1 3653 1.008000 0.423800 -9.3804E+00 -1.7616E+01 9.5476E+00 H2 3654 1.008000 0.423800 -8.8257E+00 -1.8884E+01 8.6807E+00 O6 3655 15.999400 -0.847600 -6.3760E+00 -1.6217E+01 7.3415E+00 H1 3656 1.008000 0.423800 -6.7478E+00 -1.6884E+01 6.6956E+00 H2 3657 1.008000 0.423800 -5.5448E+00 -1.6585E+01 7.7586E+00 O6 3658 15.999400 -0.847600 1.0423E+01 1.4598E+01 1.3940E+01 H1 3659 1.008000 0.423800 1.1292E+01 1.4105E+01 1.3931E+01 H2 3660 1.008000 0.423800 1.0410E+01 1.5237E+01 1.4709E+01 O6 3661 15.999400 -0.847600 1.1979E+01 -1.8794E+01 1.9060E+01 H1 3662 1.008000 0.423800 1.1959E+01 -1.8678E+01 1.8067E+01 H2 3663 1.008000 0.423800 1.1138E+01 -1.9246E+01 1.9360E+01 O6 3664 15.999400 -0.847600 -4.5678E+00 8.0973E+00 -1.5415E+01 H1 3665 1.008000 0.423800 -4.6438E+00 8.4682E+00 -1.6340E+01 H2 3666 1.008000 0.423800 -3.7949E+00 8.5254E+00 -1.4946E+01 O6 3667 15.999400 -0.847600 1.8146E+01 -8.4146E+00 1.3122E+01 H1 3668 1.008000 0.423800 1.8523E+01 -7.4890E+00 1.3163E+01 H2 3669 1.008000 0.423800 1.7282E+01 -8.4455E+00 1.3625E+01 O6 3670 15.999400 -0.847600 8.3217E+00 1.5827E+01 1.2438E+01 H1 3671 1.008000 0.423800 9.2008E+00 1.5482E+01 1.2767E+01 H2 3672 1.008000 0.423800 8.1899E+00 1.5549E+01 1.1487E+01 O6 3673 15.999400 -0.847600 6.8431E+00 1.7750E+01 -1.2211E+01 H1 3674 1.008000 0.423800 6.3497E+00 1.6927E+01 -1.2493E+01 H2 3675 1.008000 0.423800 6.4846E+00 1.8069E+01 -1.1334E+01 O6 3676 15.999400 -0.847600 1.7827E+01 -1.7166E+00 -8.5209E-01 H1 3677 1.008000 0.423800 1.6860E+01 -1.7629E+00 -6.0492E-01 H2 3678 1.008000 0.423800 1.7980E+01 -9.3558E-01 -1.4578E+00 O6 3679 15.999400 -0.847600 -1.7656E+01 1.9387E+01 -4.6638E+00 H1 3680 1.008000 0.423800 -1.7040E+01 -1.9097E+01 -4.1691E+00 H2 3681 1.008000 0.423800 -1.8340E+01 -1.9171E+01 -5.1544E+00 O6 3682 15.999400 -0.847600 -1.7988E+01 -1.2592E+01 4.1186E+00 H1 3683 1.008000 0.423800 -1.8978E+01 -1.2464E+01 4.1897E+00 H2 3684 1.008000 0.423800 -1.7662E+01 -1.2200E+01 3.2586E+00 O6 3685 15.999400 -0.847600 -1.3197E+01 2.8856E+00 -4.3478E+00 H1 3686 1.008000 0.423800 -1.3371E+01 3.0073E+00 -5.3251E+00 H2 3687 1.008000 0.423800 -1.3576E+01 3.6608E+00 -3.8427E+00 O6 3688 15.999400 -0.847600 -8.5245E-01 7.7422E+00 -6.3472E+00 H1 3689 1.008000 0.423800 -1.1513E+00 8.0540E+00 -5.4453E+00 H2 3690 1.008000 0.423800 -1.5528E+00 7.1487E+00 -6.7436E+00 O6 3691 15.999400 -0.847600 -8.4556E+00 7.8511E+00 -4.3751E+00 H1 3692 1.008000 0.423800 -9.0911E+00 7.2042E+00 -4.7966E+00 H2 3693 1.008000 0.423800 -8.2095E+00 8.5571E+00 -5.0392E+00 O6 3694 15.999400 -0.847600 5.9077E+00 1.7744E+01 -1.7234E+01 H1 3695 1.008000 0.423800 6.1043E+00 1.8108E+01 -1.8145E+01 H2 3696 1.008000 0.423800 6.0901E+00 1.8448E+01 -1.6548E+01 O6 3697 15.999400 -0.847600 9.5289E+00 -1.6673E+00 1.1512E+01 H1 3698 1.008000 0.423800 9.0196E+00 -1.8840E+00 1.2345E+01 H2 3699 1.008000 0.423800 1.0442E+01 -2.0718E+00 1.1565E+01 O6 3700 15.999400 -0.847600 -1.9426E+01 6.1829E+00 3.0331E+00 H1 3701 1.008000 0.423800 -1.9512E+01 7.0564E+00 3.5123E+00 H2 3702 1.008000 0.423800 -1.8678E+01 5.6549E+00 3.4343E+00 O6 3703 15.999400 -0.847600 -1.0370E+00 -1.5785E+01 1.1095E+01 H1 3704 1.008000 0.423800 -1.3238E+00 -1.6404E+01 1.0363E+01 H2 3705 1.008000 0.423800 -5.5084E-01 -1.6304E+01 1.1798E+01 O6 3706 15.999400 -0.847600 -1.2692E+01 -1.1757E+01 1.2980E+01 H1 3707 1.008000 0.423800 -1.1998E+01 -1.2362E+01 1.3371E+01 H2 3708 1.008000 0.423800 -1.3581E+01 -1.1962E+01 1.3388E+01 O6 3709 15.999400 -0.847600 -1.3157E+01 1.6308E+01 7.4428E+00 H1 3710 1.008000 0.423800 -1.2311E+01 1.6828E+01 7.5566E+00 H2 3711 1.008000 0.423800 -1.3931E+01 1.6938E+01 7.3909E+00 O6 3712 15.999400 -0.847600 1.9692E+00 -1.9068E+01 -1.6263E+01 H1 3713 1.008000 0.423800 2.3103E+00 1.9206E+01 -1.6717E+01 H2 3714 1.008000 0.423800 2.1396E+00 -1.9136E+01 -1.5280E+01 O6 3715 15.999400 -0.847600 -9.3272E+00 1.7514E+01 1.0769E+01 H1 3716 1.008000 0.423800 -1.0058E+01 1.7820E+01 1.1379E+01 H2 3717 1.008000 0.423800 -8.9347E+00 1.8304E+01 1.0297E+01 O6 3718 15.999400 -0.847600 3.1690E+00 1.3099E+01 1.0209E+01 H1 3719 1.008000 0.423800 2.3563E+00 1.3647E+01 1.0407E+01 H2 3720 1.008000 0.423800 2.9133E+00 1.2134E+01 1.0149E+01 O6 3721 15.999400 -0.847600 1.5039E+01 -1.8532E+01 -3.5925E+00 H1 3722 1.008000 0.423800 1.4513E+01 -1.9252E+01 -3.1393E+00 H2 3723 1.008000 0.423800 1.4430E+01 -1.7777E+01 -3.8347E+00 O6 3724 15.999400 -0.847600 -5.9925E+00 -9.7279E+00 7.2617E+00 H1 3725 1.008000 0.423800 -6.8571E+00 -9.6619E+00 7.7599E+00 H2 3726 1.008000 0.423800 -5.4465E+00 -1.0476E+01 7.6392E+00 O6 3727 15.999400 -0.847600 -8.8852E+00 -8.7493E+00 -1.6581E+01 H1 3728 1.008000 0.423800 -8.0653E+00 -9.0276E+00 -1.6081E+01 H2 3729 1.008000 0.423800 -8.6692E+00 -7.9678E+00 -1.7166E+01 O6 3730 15.999400 -0.847600 1.4506E+01 -1.5962E+00 1.9375E+01 H1 3731 1.008000 0.423800 1.5453E+01 -1.9182E+00 1.9349E+01 H2 3732 1.008000 0.423800 1.4473E+01 -6.3769E-01 1.9091E+01 O6 3733 15.999400 -0.847600 -1.6715E+01 -1.1146E+01 -1.4798E+00 H1 3734 1.008000 0.423800 -1.6191E+01 -1.1231E+01 -2.3271E+00 H2 3735 1.008000 0.423800 -1.6110E+01 -1.0846E+01 -7.4224E-01 O6 3736 15.999400 -0.847600 1.6616E+01 9.6551E+00 7.5043E+00 H1 3737 1.008000 0.423800 1.6299E+01 8.7301E+00 7.2953E+00 H2 3738 1.008000 0.423800 1.6794E+01 1.0147E+01 6.6520E+00 O6 3739 15.999400 -0.847600 1.8279E+01 -1.9023E+01 -3.7773E-01 H1 3740 1.008000 0.423800 1.9146E+01 -1.9521E+01 -3.5805E-01 H2 3741 1.008000 0.423800 1.7580E+01 1.9545E+01 1.0264E-01 O6 3742 15.999400 -0.847600 7.6398E+00 -6.8373E+00 5.7098E+00 H1 3743 1.008000 0.423800 7.4078E+00 -7.3834E+00 6.5148E+00 H2 3744 1.008000 0.423800 8.4716E+00 -6.3128E+00 5.8914E+00 O6 3745 15.999400 -0.847600 -1.2741E+01 -7.1535E+00 7.0305E+00 H1 3746 1.008000 0.423800 -1.3104E+01 -7.8966E+00 6.4684E+00 H2 3747 1.008000 0.423800 -1.1986E+01 -6.7094E+00 6.5485E+00 O6 3748 15.999400 -0.847600 4.6380E+00 9.1480E+00 -1.8067E+01 H1 3749 1.008000 0.423800 5.0854E+00 8.9615E+00 -1.7192E+01 H2 3750 1.008000 0.423800 4.3311E+00 1.0099E+01 -1.8088E+01 O6 3751 15.999400 -0.847600 -8.8404E+00 1.1834E+01 6.6987E+00 H1 3752 1.008000 0.423800 -8.3613E+00 1.2201E+01 7.4962E+00 H2 3753 1.008000 0.423800 -9.3305E+00 1.1002E+01 6.9581E+00 O6 3754 15.999400 -0.847600 1.1352E+01 1.1068E+00 1.2785E+01 H1 3755 1.008000 0.423800 1.0613E+01 1.3318E+00 1.3420E+01 H2 3756 1.008000 0.423800 1.2230E+01 1.3577E+00 1.3193E+01 O6 3757 15.999400 -0.847600 -1.2137E+01 -8.4362E+00 9.4714E+00 H1 3758 1.008000 0.423800 -1.2202E+01 -7.8052E+00 8.6983E+00 H2 3759 1.008000 0.423800 -1.1850E+01 -7.9346E+00 1.0288E+01 O6 3760 15.999400 -0.847600 1.4479E+01 1.5238E+01 1.3955E+00 H1 3761 1.008000 0.423800 1.3501E+01 1.5416E+01 1.2842E+00 H2 3762 1.008000 0.423800 1.4914E+01 1.6028E+01 1.8269E+00 O6 3763 15.999400 -0.847600 -9.0345E+00 1.7064E+01 -9.0397E+00 H1 3764 1.008000 0.423800 -8.5579E+00 1.6322E+01 -9.5109E+00 H2 3765 1.008000 0.423800 -1.0016E+01 1.6872E+01 -9.0223E+00 O6 3766 15.999400 -0.847600 7.6045E+00 3.1520E+00 4.2726E+00 H1 3767 1.008000 0.423800 8.1691E+00 2.4918E+00 3.7773E+00 H2 3768 1.008000 0.423800 7.3510E+00 2.7725E+00 5.1624E+00 O6 3769 15.999400 -0.847600 2.3031E+00 6.0325E+00 1.9032E+00 H1 3770 1.008000 0.423800 3.0111E+00 5.7676E+00 1.2485E+00 H2 3771 1.008000 0.423800 2.0260E+00 5.2329E+00 2.4361E+00 O6 3772 15.999400 -0.847600 -1.6538E+01 7.9965E+00 1.6115E+01 H1 3773 1.008000 0.423800 -1.7136E+01 7.7577E+00 1.6880E+01 H2 3774 1.008000 0.423800 -1.6944E+01 7.6722E+00 1.5260E+01 O6 3775 15.999400 -0.847600 -1.1284E+01 2.1520E+00 -7.0854E+00 H1 3776 1.008000 0.423800 -1.2239E+01 2.4275E+00 -7.1940E+00 H2 3777 1.008000 0.423800 -1.0944E+01 1.7811E+00 -7.9495E+00 O6 3778 15.999400 -0.847600 3.6357E+00 -1.3165E+01 1.6534E+01 H1 3779 1.008000 0.423800 4.4449E+00 -1.3604E+01 1.6925E+01 H2 3780 1.008000 0.423800 3.0875E+00 -1.2764E+01 1.7268E+01 O6 3781 15.999400 -0.847600 1.3146E+00 -3.2443E+00 1.0353E+00 H1 3782 1.008000 0.423800 4.4529E-01 -3.6186E+00 1.3582E+00 H2 3783 1.008000 0.423800 1.7833E+00 -3.9265E+00 4.7421E-01 O6 3784 15.999400 -0.847600 -1.1101E+01 -4.6604E+00 -4.9093E+00 H1 3785 1.008000 0.423800 -1.0495E+01 -5.3166E+00 -5.3577E+00 H2 3786 1.008000 0.423800 -1.1130E+01 -3.8149E+00 -5.4424E+00 O6 3787 15.999400 -0.847600 -1.4161E+01 1.6825E+01 3.6382E+00 H1 3788 1.008000 0.423800 -1.4483E+01 1.5911E+01 3.3922E+00 H2 3789 1.008000 0.423800 -1.4291E+01 1.7444E+01 2.8637E+00 O6 3790 15.999400 -0.847600 -1.0961E+01 4.8167E+00 9.8059E+00 H1 3791 1.008000 0.423800 -1.0134E+01 4.3931E+00 1.0177E+01 H2 3792 1.008000 0.423800 -1.0722E+01 5.6786E+00 9.3588E+00 O6 3793 15.999400 -0.847600 -1.3965E+01 -5.3567E+00 1.5925E+01 H1 3794 1.008000 0.423800 -1.4041E+01 -4.3691E+00 1.5788E+01 H2 3795 1.008000 0.423800 -1.3249E+01 -5.5459E+00 1.6597E+01 O6 3796 15.999400 -0.847600 -3.4302E+00 8.6199E+00 1.6500E+01 H1 3797 1.008000 0.423800 -3.3858E+00 8.8572E+00 1.5530E+01 H2 3798 1.008000 0.423800 -2.6137E+00 8.1013E+00 1.6754E+01 O6 3799 15.999400 -0.847600 5.6404E+00 8.5696E-02 4.8734E+00 H1 3800 1.008000 0.423800 5.5821E+00 5.8895E-01 4.0112E+00 H2 3801 1.008000 0.423800 4.9646E+00 -6.5137E-01 4.8754E+00 O6 3802 15.999400 -0.847600 1.6056E+01 -6.7970E+00 -6.7778E+00 H1 3803 1.008000 0.423800 1.6533E+01 -6.6902E+00 -7.6503E+00 H2 3804 1.008000 0.423800 1.5682E+01 -5.9148E+00 -6.4926E+00 O6 3805 15.999400 -0.847600 -1.0235E+01 1.0600E+00 -2.7130E+00 H1 3806 1.008000 0.423800 -1.0379E+01 1.5978E-01 -3.1239E+00 H2 3807 1.008000 0.423800 -1.0461E+01 1.7705E+00 -3.3792E+00 O6 3808 15.999400 -0.847600 -1.5093E+01 -1.5261E+01 -1.7133E+01 H1 3809 1.008000 0.423800 -1.5004E+01 -1.5182E+01 -1.6140E+01 H2 3810 1.008000 0.423800 -1.4514E+01 -1.6007E+01 -1.7462E+01 O6 3811 15.999400 -0.847600 -2.7387E-01 1.3529E+01 -1.4679E+01 H1 3812 1.008000 0.423800 3.1072E-01 1.2719E+01 -1.4712E+01 H2 3813 1.008000 0.423800 -1.3685E-02 1.4097E+01 -1.3898E+01 O6 3814 15.999400 -0.847600 1.6136E+01 -1.3433E+01 7.9518E+00 H1 3815 1.008000 0.423800 1.6070E+01 -1.4241E+01 7.3662E+00 H2 3816 1.008000 0.423800 1.5217E+01 -1.3110E+01 8.1782E+00 O6 3817 15.999400 -0.847600 -1.4148E+01 -1.4642E+01 5.9505E+00 H1 3818 1.008000 0.423800 -1.4473E+01 -1.5345E+01 6.5831E+00 H2 3819 1.008000 0.423800 -1.4776E+01 -1.3864E+01 5.9662E+00 O6 3820 15.999400 -0.847600 -1.7159E+01 -1.0130E+01 6.7189E+00 H1 3821 1.008000 0.423800 -1.8130E+01 -1.0010E+01 6.9275E+00 H2 3822 1.008000 0.423800 -1.6608E+01 -9.7255E+00 7.4493E+00 O6 3823 15.999400 -0.847600 -1.9350E+01 -2.2711E+00 1.7575E+01 H1 3824 1.008000 0.423800 1.8907E+01 -2.4594E+00 1.8083E+01 H2 3825 1.008000 0.423800 -1.8798E+01 -3.1033E+00 1.7524E+01 O6 3826 15.999400 -0.847600 7.7214E+00 -1.3636E+01 1.7235E+01 H1 3827 1.008000 0.423800 7.9600E+00 -1.4337E+01 1.7907E+01 H2 3828 1.008000 0.423800 7.8473E+00 -1.4001E+01 1.6313E+01 O6 3829 15.999400 -0.847600 9.2295E+00 -2.6954E+00 1.6471E+01 H1 3830 1.008000 0.423800 9.3885E+00 -3.6825E+00 1.6456E+01 H2 3831 1.008000 0.423800 8.4926E+00 -2.4863E+00 1.7114E+01 O6 3832 15.999400 -0.847600 -1.0692E+01 9.6224E-01 8.2127E+00 H1 3833 1.008000 0.423800 -1.0615E+01 9.3487E-01 9.2094E+00 H2 3834 1.008000 0.423800 -9.7920E+00 1.1383E+00 7.8135E+00 O6 3835 15.999400 -0.847600 1.3172E+00 8.9144E+00 4.0812E-02 H1 3836 1.008000 0.423800 1.0684E+00 8.5865E+00 9.5221E-01 H2 3837 1.008000 0.423800 7.7055E-01 8.4357E+00 -6.4625E-01 O6 3838 15.999400 -0.847600 -1.4666E+01 1.5942E+01 -1.7351E+01 H1 3839 1.008000 0.423800 -1.4665E+01 1.5237E+01 -1.6642E+01 H2 3840 1.008000 0.423800 -1.5111E+01 1.5587E+01 -1.8173E+01 O6 3841 15.999400 -0.847600 -1.3184E+01 8.5485E+00 1.0667E+01 H1 3842 1.008000 0.423800 -1.2953E+01 7.7123E+00 1.1164E+01 H2 3843 1.008000 0.423800 -1.2384E+01 9.1479E+00 1.0633E+01 O6 3844 15.999400 -0.847600 -4.5989E+00 1.2987E+01 1.9310E+01 H1 3845 1.008000 0.423800 -4.7569E+00 1.3964E+01 1.9169E+01 H2 3846 1.008000 0.423800 -4.9016E+00 1.2729E+01 -1.8870E+01 O6 3847 15.999400 -0.847600 1.2513E+01 -1.6017E+01 2.2624E+00 H1 3848 1.008000 0.423800 1.1678E+01 -1.5558E+01 1.9590E+00 H2 3849 1.008000 0.423800 1.2944E+01 -1.6473E+01 1.4838E+00 O6 3850 15.999400 -0.847600 4.1300E+00 7.3374E+00 -8.8336E+00 H1 3851 1.008000 0.423800 3.9730E+00 6.4195E+00 -8.4691E+00 H2 3852 1.008000 0.423800 3.3147E+00 7.6453E+00 -9.3238E+00 O6 3853 15.999400 -0.847600 -1.1037E+01 -1.2888E+01 8.5848E+00 H1 3854 1.008000 0.423800 -1.1296E+01 -1.2859E+01 7.6194E+00 H2 3855 1.008000 0.423800 -1.1448E+01 -1.2112E+01 9.0639E+00 O6 3856 15.999400 -0.847600 -1.0653E+01 -1.8332E+00 1.8008E+00 H1 3857 1.008000 0.423800 -9.6750E+00 -2.0224E+00 1.7141E+00 H2 3858 1.008000 0.423800 -1.0814E+01 -1.2812E+00 2.6189E+00 O6 3859 15.999400 -0.847600 5.3507E+00 -8.1199E-01 -1.9167E+01 H1 3860 1.008000 0.423800 4.5803E+00 -1.3417E+00 -1.9522E+01 H2 3861 1.008000 0.423800 5.0793E+00 1.4537E-01 -1.9068E+01 O6 3862 15.999400 -0.847600 -1.5364E+01 -1.6783E+01 1.8147E+01 H1 3863 1.008000 0.423800 -1.6066E+01 -1.7251E+01 1.8684E+01 H2 3864 1.008000 0.423800 -1.4785E+01 -1.7460E+01 1.7693E+01 O6 3865 15.999400 -0.847600 -6.8202E+00 -6.6463E+00 -1.5251E+01 H1 3866 1.008000 0.423800 -5.9309E+00 -7.1001E+00 -1.5193E+01 H2 3867 1.008000 0.423800 -6.8415E+00 -6.0556E+00 -1.6057E+01 O6 3868 15.999400 -0.847600 9.3881E+00 1.3151E+01 -1.3599E+01 H1 3869 1.008000 0.423800 9.4254E+00 1.4033E+01 -1.3130E+01 H2 3870 1.008000 0.423800 8.5042E+00 1.2717E+01 -1.3423E+01 O6 3871 15.999400 -0.847600 1.2428E+01 -7.6415E+00 6.5932E-02 H1 3872 1.008000 0.423800 1.2509E+01 -7.1767E+00 9.4767E-01 H2 3873 1.008000 0.423800 1.2624E+01 -6.9947E+00 -6.7102E-01 O6 3874 15.999400 -0.847600 1.1666E+01 -5.4809E+00 -9.4486E+00 H1 3875 1.008000 0.423800 1.2392E+01 -6.1571E+00 -9.3218E+00 H2 3876 1.008000 0.423800 1.1802E+01 -4.7222E+00 -8.8117E+00 O6 3877 15.999400 -0.847600 4.3328E+00 1.2288E+01 1.2038E-01 H1 3878 1.008000 0.423800 4.8597E+00 1.1822E+01 8.3162E-01 H2 3879 1.008000 0.423800 3.7024E+00 1.2938E+01 5.4431E-01 O6 3880 15.999400 -0.847600 -7.9906E+00 7.4118E+00 -1.0140E+01 H1 3881 1.008000 0.423800 -8.2168E+00 8.3442E+00 -9.8582E+00 H2 3882 1.008000 0.423800 -7.7596E+00 7.4044E+00 -1.1113E+01 O6 3883 15.999400 -0.847600 -1.3697E+00 8.7734E+00 -3.9663E+00 H1 3884 1.008000 0.423800 -1.2566E+00 9.7577E+00 -4.1015E+00 H2 3885 1.008000 0.423800 -2.3397E+00 8.5630E+00 -3.8441E+00 O6 3886 15.999400 -0.847600 1.0459E+01 -1.9166E+01 -1.4378E+01 H1 3887 1.008000 0.423800 9.6714E+00 -1.9428E+01 -1.4935E+01 H2 3888 1.008000 0.423800 1.0212E+01 -1.9208E+01 -1.3410E+01 O6 3889 15.999400 -0.847600 -1.7355E+01 1.4954E+01 -1.6338E+01 H1 3890 1.008000 0.423800 -1.6641E+01 1.4676E+01 -1.5695E+01 H2 3891 1.008000 0.423800 -1.7577E+01 1.4188E+01 -1.6941E+01 O6 3892 15.999400 -0.847600 1.7687E+01 -1.2997E+01 1.4950E+01 H1 3893 1.008000 0.423800 1.7594E+01 -1.2083E+01 1.5344E+01 H2 3894 1.008000 0.423800 1.8367E+01 -1.3516E+01 1.5467E+01 O6 3895 15.999400 -0.847600 1.8745E+01 6.3412E+00 -1.3749E+01 H1 3896 1.008000 0.423800 -1.9481E+01 6.6337E+00 -1.3356E+01 H2 3897 1.008000 0.423800 1.8478E+01 5.4638E+00 -1.3351E+01 O6 3898 15.999400 -0.847600 1.3848E+01 3.0511E+00 -8.6713E+00 H1 3899 1.008000 0.423800 1.4353E+01 3.1671E+00 -7.8159E+00 H2 3900 1.008000 0.423800 1.3792E+01 2.0783E+00 -8.8961E+00 O6 3901 15.999400 -0.847600 5.8075E+00 -5.4394E+00 1.1128E-01 H1 3902 1.008000 0.423800 6.5166E+00 -5.6488E+00 7.8460E-01 H2 3903 1.008000 0.423800 5.1905E+00 -6.2213E+00 2.2964E-02 O6 3904 15.999400 -0.847600 -3.6780E+00 3.8595E+00 1.2061E+01 H1 3905 1.008000 0.423800 -4.2211E+00 3.3217E+00 1.1416E+01 H2 3906 1.008000 0.423800 -4.2858E+00 4.3033E+00 1.2720E+01 O6 3907 15.999400 -0.847600 9.3327E+00 8.1219E+00 4.9653E+00 H1 3908 1.008000 0.423800 9.2912E+00 8.4350E+00 4.0164E+00 H2 3909 1.008000 0.423800 8.9780E+00 7.1888E+00 5.0241E+00 O6 3910 15.999400 -0.847600 1.0571E+01 6.0486E+00 7.6154E+00 H1 3911 1.008000 0.423800 9.9865E+00 5.9847E+00 6.8064E+00 H2 3912 1.008000 0.423800 1.0277E+01 5.3740E+00 8.2927E+00 O6 3913 15.999400 -0.847600 -1.0873E+01 -1.7806E+01 -1.3962E+01 H1 3914 1.008000 0.423800 -1.1473E+01 -1.7154E+01 -1.3498E+01 H2 3915 1.008000 0.423800 -9.9856E+00 -1.7829E+01 -1.3502E+01 O6 3916 15.999400 -0.847600 2.5882E+00 8.6801E-01 9.3581E-01 H1 3917 1.008000 0.423800 3.4012E+00 1.0723E+00 3.9054E-01 H2 3918 1.008000 0.423800 1.9032E+00 1.5825E+00 7.9337E-01 O6 3919 15.999400 -0.847600 -8.0704E+00 -7.2356E+00 -1.2780E+01 H1 3920 1.008000 0.423800 -7.8074E+00 -6.8547E+00 -1.3666E+01 H2 3921 1.008000 0.423800 -8.9529E+00 -6.8558E+00 -1.2503E+01 O6 3922 15.999400 -0.847600 -1.5788E+01 1.5934E-01 1.7315E+00 H1 3923 1.008000 0.423800 -1.4984E+01 1.1904E-01 1.1381E+00 H2 3924 1.008000 0.423800 -1.5970E+01 -7.4878E-01 2.1088E+00 O6 3925 15.999400 -0.847600 -1.5851E+00 -1.8741E+01 9.9561E+00 H1 3926 1.008000 0.423800 -1.1852E+00 -1.9453E+01 9.3780E+00 H2 3927 1.008000 0.423800 -1.5998E+00 -1.9053E+01 1.0906E+01 O6 3928 15.999400 -0.847600 1.9534E+01 1.8544E+01 -9.8192E+00 H1 3929 1.008000 0.423800 1.8972E+01 1.8527E+01 -1.0646E+01 H2 3930 1.008000 0.423800 -1.8596E+01 1.8537E+01 -1.0073E+01 O6 3931 15.999400 -0.847600 6.4275E+00 1.3659E+01 -5.4710E+00 H1 3932 1.008000 0.423800 6.8748E+00 1.3960E+01 -4.6288E+00 H2 3933 1.008000 0.423800 6.3543E+00 1.2662E+01 -5.4714E+00 O6 3934 15.999400 -0.847600 -1.1976E+01 6.3909E+00 3.9929E+00 H1 3935 1.008000 0.423800 -1.1177E+01 6.7372E+00 3.5023E+00 H2 3936 1.008000 0.423800 -1.1782E+01 6.3688E+00 4.9735E+00 O6 3937 15.999400 -0.847600 -4.0426E+00 4.3315E+00 1.7138E+01 H1 3938 1.008000 0.423800 -3.5215E+00 4.4412E+00 1.6292E+01 H2 3939 1.008000 0.423800 -4.7818E+00 5.0045E+00 1.7164E+01 O6 3940 15.999400 -0.847600 -1.2282E+01 -9.9388E+00 -4.7510E+00 H1 3941 1.008000 0.423800 -1.2803E+01 -9.1480E+00 -4.4286E+00 H2 3942 1.008000 0.423800 -1.2451E+01 -1.0073E+01 -5.7275E+00 O6 3943 15.999400 -0.847600 -1.1927E+01 1.8199E+01 1.1465E+01 H1 3944 1.008000 0.423800 -1.2389E+01 1.7532E+01 1.2049E+01 H2 3945 1.008000 0.423800 -1.2501E+01 1.8400E+01 1.0671E+01 O6 3946 15.999400 -0.847600 -1.8143E+01 1.7402E+01 3.0536E+00 H1 3947 1.008000 0.423800 -1.9065E+01 1.7173E+01 2.7410E+00 H2 3948 1.008000 0.423800 -1.7522E+01 1.6647E+01 2.8426E+00 O6 3949 15.999400 -0.847600 5.7932E+00 1.4663E+01 1.2913E+01 H1 3950 1.008000 0.423800 5.0689E+00 1.4928E+01 1.3550E+01 H2 3951 1.008000 0.423800 6.6756E+00 1.4978E+01 1.3263E+01 O6 3952 15.999400 -0.847600 -8.6053E+00 -7.1721E+00 8.4349E-01 H1 3953 1.008000 0.423800 -7.6804E+00 -7.3566E+00 5.1117E-01 H2 3954 1.008000 0.423800 -9.1479E+00 -8.0111E+00 8.0191E-01 O6 3955 15.999400 -0.847600 -1.2461E+01 -1.5984E+01 4.1864E+00 H1 3956 1.008000 0.423800 -1.3246E+01 -1.5640E+01 4.7016E+00 H2 3957 1.008000 0.423800 -1.2545E+01 -1.6974E+01 4.0727E+00 O6 3958 15.999400 -0.847600 1.5847E+01 7.4445E+00 3.5509E+00 H1 3959 1.008000 0.423800 1.6391E+01 8.2366E+00 3.2753E+00 H2 3960 1.008000 0.423800 1.4876E+01 7.6453E+00 3.4188E+00 O6 3961 15.999400 -0.847600 6.5422E+00 -1.5359E+01 -6.7195E+00 H1 3962 1.008000 0.423800 5.6944E+00 -1.5745E+01 -6.3566E+00 H2 3963 1.008000 0.423800 6.8459E+00 -1.5899E+01 -7.5041E+00 O6 3964 15.999400 -0.847600 -1.1707E+01 3.6097E+00 -1.0381E+01 H1 3965 1.008000 0.423800 -1.1507E+01 2.7109E+00 -9.9909E+00 H2 3966 1.008000 0.423800 -1.0875E+01 4.1641E+00 -1.0386E+01 O6 3967 15.999400 -0.847600 1.6326E+01 -1.9471E+01 1.9544E+01 H1 3968 1.008000 0.423800 1.5541E+01 -1.9291E+01 -1.8961E+01 H2 3969 1.008000 0.423800 1.6004E+01 1.9341E+01 1.8642E+01 O6 3970 15.999400 -0.847600 -3.8570E-01 -1.2663E+01 -9.9157E+00 H1 3971 1.008000 0.423800 -4.3828E-01 -1.3068E+01 -1.0828E+01 H2 3972 1.008000 0.423800 5.5271E-01 -1.2727E+01 -9.5762E+00 O6 3973 15.999400 -0.847600 1.5964E+01 1.6890E+01 -1.1003E+01 H1 3974 1.008000 0.423800 1.5874E+01 1.5990E+01 -1.1430E+01 H2 3975 1.008000 0.423800 1.6712E+01 1.7392E+01 -1.1438E+01 O6 3976 15.999400 -0.847600 -2.6293E+00 1.0474E+01 -1.6982E+01 H1 3977 1.008000 0.423800 -3.3541E+00 9.8931E+00 -1.7352E+01 H2 3978 1.008000 0.423800 -1.9619E+00 1.0673E+01 -1.7700E+01 O6 3979 15.999400 -0.847600 2.8667E+00 1.8819E+01 1.4753E+01 H1 3980 1.008000 0.423800 2.5053E+00 -1.9347E+01 1.4783E+01 H2 3981 1.008000 0.423800 2.1081E+00 1.8168E+01 1.4732E+01 O6 3982 15.999400 -0.847600 3.3107E+00 4.1820E+00 -4.5619E+00 H1 3983 1.008000 0.423800 3.9832E+00 4.7973E+00 -4.1504E+00 H2 3984 1.008000 0.423800 3.0691E+00 4.5142E+00 -5.4736E+00 O6 3985 15.999400 -0.847600 1.1365E+01 -1.6449E+01 -8.8332E+00 H1 3986 1.008000 0.423800 1.1362E+01 -1.6788E+01 -7.8922E+00 H2 3987 1.008000 0.423800 1.2098E+01 -1.5778E+01 -8.9442E+00 O6 3988 15.999400 -0.847600 -1.5720E+01 -9.4843E-01 -3.3929E+00 H1 3989 1.008000 0.423800 -1.4800E+01 -5.9333E-01 -3.5621E+00 H2 3990 1.008000 0.423800 -1.5655E+01 -1.8574E+00 -2.9810E+00 O6 3991 15.999400 -0.847600 -1.8715E+01 -9.0746E+00 -1.0297E+01 H1 3992 1.008000 0.423800 -1.9223E+01 -8.5931E+00 -9.5819E+00 H2 3993 1.008000 0.423800 -1.8096E+01 -9.7382E+00 -9.8765E+00 O6 3994 15.999400 -0.847600 7.3716E+00 7.3006E+00 2.8629E+00 H1 3995 1.008000 0.423800 8.1048E+00 6.8924E+00 2.3191E+00 H2 3996 1.008000 0.423800 6.8704E+00 6.5795E+00 3.3413E+00 O6 3997 15.999400 -0.847600 1.0408E+01 1.9881E+00 -1.0920E+00 H1 3998 1.008000 0.423800 1.0534E+01 1.3535E+00 -1.8545E+00 H2 3999 1.008000 0.423800 9.5844E+00 2.5339E+00 -1.2454E+00 O6 4000 15.999400 -0.847600 1.5812E+01 3.4654E+00 9.1264E+00 H1 4001 1.008000 0.423800 1.5325E+01 2.7603E+00 9.6419E+00 H2 4002 1.008000 0.423800 1.6553E+01 3.0442E+00 8.6041E+00 O6 4003 15.999400 -0.847600 6.8238E+00 -1.0459E+00 -1.6841E+01 H1 4004 1.008000 0.423800 6.3584E+00 -1.2015E+00 -1.7712E+01 H2 4005 1.008000 0.423800 7.7113E+00 -1.5065E+00 -1.6850E+01 O6 4006 15.999400 -0.847600 -7.5722E+00 1.4570E+01 4.2215E+00 H1 4007 1.008000 0.423800 -8.2125E+00 1.4479E+01 4.9843E+00 H2 4008 1.008000 0.423800 -6.6604E+00 1.4778E+01 4.5748E+00 O6 4009 15.999400 -0.847600 -1.1585E+01 -6.8038E+00 1.1458E+01 H1 4010 1.008000 0.423800 -1.0649E+01 -6.9705E+00 1.1769E+01 H2 4011 1.008000 0.423800 -1.2175E+01 -6.6423E+00 1.2248E+01 O6 4012 15.999400 -0.847600 -9.6906E+00 -1.0747E+00 -1.8601E+01 H1 4013 1.008000 0.423800 -1.0372E+01 -7.2587E-01 -1.7958E+01 H2 4014 1.008000 0.423800 -9.8929E+00 -7.3356E-01 -1.9519E+01 O6 4015 15.999400 -0.847600 -1.2585E+01 1.7418E+01 1.5760E+01 H1 4016 1.008000 0.423800 -1.2073E+01 1.8253E+01 1.5960E+01 H2 4017 1.008000 0.423800 -1.3565E+01 1.7614E+01 1.5783E+01 O6 4018 15.999400 -0.847600 5.4272E+00 3.3753E+00 -9.7372E+00 H1 4019 1.008000 0.423800 4.6570E+00 3.0357E+00 -1.0277E+01 H2 4020 1.008000 0.423800 5.8631E+00 2.6114E+00 -9.2614E+00 O6 4021 15.999400 -0.847600 8.9540E+00 -1.6771E+01 -2.8004E+00 H1 4022 1.008000 0.423800 9.5854E+00 -1.7342E+01 -2.2753E+00 H2 4023 1.008000 0.423800 9.3183E+00 -1.5842E+01 -2.8632E+00 O6 4024 15.999400 -0.847600 1.2930E+01 -1.9545E+01 -1.9448E+00 H1 4025 1.008000 0.423800 1.2429E+01 1.9089E+01 -2.6757E+00 H2 4026 1.008000 0.423800 1.3326E+01 1.8871E+01 -1.3288E+00 O6 4027 15.999400 -0.847600 -1.8100E+01 -1.5070E+01 -1.7636E+01 H1 4028 1.008000 0.423800 -1.8488E+01 -1.5843E+01 -1.7135E+01 H2 4029 1.008000 0.423800 -1.7215E+01 -1.4826E+01 -1.7239E+01 O6 4030 15.999400 -0.847600 1.7507E+01 -1.1080E+01 -7.2714E+00 H1 4031 1.008000 0.423800 1.8208E+01 -1.0465E+01 -6.9122E+00 H2 4032 1.008000 0.423800 1.6632E+01 -1.0598E+01 -7.3161E+00 O6 4033 15.999400 -0.847600 1.9376E+01 -2.1501E+00 3.1670E+00 H1 4034 1.008000 0.423800 -1.9277E+01 -1.3947E+00 3.6481E+00 H2 4035 1.008000 0.423800 -1.9259E+01 -3.0075E+00 3.3926E+00 O6 4036 15.999400 -0.847600 1.6545E+01 -3.9810E+00 -6.7541E+00 H1 4037 1.008000 0.423800 1.6076E+01 -4.1848E+00 -7.6136E+00 H2 4038 1.008000 0.423800 1.7450E+01 -4.4059E+00 -6.7593E+00 O6 4039 15.999400 -0.847600 3.1726E+00 -5.7370E+00 9.0292E+00 H1 4040 1.008000 0.423800 2.2356E+00 -5.9285E+00 9.3217E+00 H2 4041 1.008000 0.423800 3.7262E+00 -5.4906E+00 9.8247E+00 O6 4042 15.999400 -0.847600 8.1043E+00 -1.0123E+01 -7.2826E-01 H1 4043 1.008000 0.423800 7.7239E+00 -1.0152E+01 1.9614E-01 H2 4044 1.008000 0.423800 9.0429E+00 -1.0468E+01 -7.1333E-01 O6 4045 15.999400 -0.847600 -1.5422E+01 3.2077E+00 -1.4480E+01 H1 4046 1.008000 0.423800 -1.6401E+01 3.2762E+00 -1.4671E+01 H2 4047 1.008000 0.423800 -1.5285E+01 2.9578E+00 -1.3522E+01 O6 4048 15.999400 -0.847600 1.7585E+01 1.3369E+01 -1.1156E+01 H1 4049 1.008000 0.423800 1.7991E+01 1.2476E+01 -1.1354E+01 H2 4050 1.008000 0.423800 1.8267E+01 1.3954E+01 -1.0716E+01 O6 4051 15.999400 -0.847600 -1.8777E+01 -8.6862E+00 1.8293E+01 H1 4052 1.008000 0.423800 -1.8122E+01 -8.2317E+00 1.7689E+01 H2 4053 1.008000 0.423800 -1.8802E+01 -9.6634E+00 1.8082E+01 O6 4054 15.999400 -0.847600 7.9577E-01 1.4771E+01 6.4779E+00 H1 4055 1.008000 0.423800 8.9667E-01 1.3783E+01 6.5936E+00 H2 4056 1.008000 0.423800 9.4997E-01 1.5226E+01 7.3545E+00 O6 4057 15.999400 -0.847600 -1.0083E+01 2.9385E-01 -5.4458E+00 H1 4058 1.008000 0.423800 -1.0538E+01 8.8380E-01 -6.1133E+00 H2 4059 1.008000 0.423800 -9.2050E+00 6.9680E-01 -5.1881E+00 O6 4060 15.999400 -0.847600 8.5971E+00 1.8763E+01 -1.5993E+01 H1 4061 1.008000 0.423800 9.0390E+00 1.8736E+01 -1.6890E+01 H2 4062 1.008000 0.423800 8.7826E+00 1.7911E+01 -1.5504E+01 O6 4063 15.999400 -0.847600 -1.9535E+00 1.3483E+01 -5.9531E+00 H1 4064 1.008000 0.423800 -1.6570E+00 1.4363E+01 -6.3229E+00 H2 4065 1.008000 0.423800 -2.7581E+00 1.3618E+01 -5.3750E+00 O6 4066 15.999400 -0.847600 1.0753E+01 1.1917E+01 9.5186E+00 H1 4067 1.008000 0.423800 1.0756E+01 1.1737E+01 8.5349E+00 H2 4068 1.008000 0.423800 9.8571E+00 1.1684E+01 9.8971E+00 O6 4069 15.999400 -0.847600 -1.6387E+01 1.0147E+01 1.8191E+01 H1 4070 1.008000 0.423800 -1.6462E+01 9.7879E+00 1.7261E+01 H2 4071 1.008000 0.423800 -1.7150E+01 9.8090E+00 1.8742E+01 O6 4072 15.999400 -0.847600 8.1846E-01 -1.8487E+01 -1.3073E+01 H1 4073 1.008000 0.423800 1.7804E+00 -1.8616E+01 -1.2833E+01 H2 4074 1.008000 0.423800 3.9540E-01 -1.7853E+01 -1.2426E+01 O6 4075 15.999400 -0.847600 -1.4948E+01 5.6382E+00 -7.3784E+00 H1 4076 1.008000 0.423800 -1.5850E+01 5.3000E+00 -7.6437E+00 H2 4077 1.008000 0.423800 -1.4464E+01 5.9679E+00 -8.1890E+00 O6 4078 15.999400 -0.847600 5.0376E+00 -9.6161E-01 1.4598E+01 H1 4079 1.008000 0.423800 5.0899E+00 -2.7266E-01 1.3875E+01 H2 4080 1.008000 0.423800 5.4696E+00 -1.8072E+00 1.4285E+01 O6 4081 15.999400 -0.847600 -3.0745E+00 1.5776E+01 1.6757E+01 H1 4082 1.008000 0.423800 -2.3916E+00 1.6059E+01 1.7431E+01 H2 4083 1.008000 0.423800 -3.8886E+00 1.5438E+01 1.7230E+01 O6 4084 15.999400 -0.847600 1.3016E+01 7.8966E+00 3.4994E+00 H1 4085 1.008000 0.423800 1.3379E+01 8.6099E+00 4.0992E+00 H2 4086 1.008000 0.423800 1.2593E+01 7.1794E+00 4.0527E+00 O6 4087 15.999400 -0.847600 1.4947E+01 6.2706E+00 9.7835E+00 H1 4088 1.008000 0.423800 1.5828E+01 5.9999E+00 9.3947E+00 H2 4089 1.008000 0.423800 1.4274E+01 6.3626E+00 9.0504E+00 O6 4090 15.999400 -0.847600 -1.4467E+01 -8.2797E+00 -3.9789E+00 H1 4091 1.008000 0.423800 -1.3848E+01 -7.5056E+00 -3.8485E+00 H2 4092 1.008000 0.423800 -1.5398E+01 -8.0058E+00 -3.7377E+00 O6 4093 15.999400 -0.847600 -2.0390E+00 -1.0915E+01 1.2191E+01 H1 4094 1.008000 0.423800 -1.7551E+00 -1.0162E+01 1.2784E+01 H2 4095 1.008000 0.423800 -2.2423E+00 -1.1720E+01 1.2748E+01 O6 4096 15.999400 -0.847600 -6.1672E+00 3.4380E+00 1.4204E+01 H1 4097 1.008000 0.423800 -5.8648E+00 4.3462E+00 1.3915E+01 H2 4098 1.008000 0.423800 -5.3737E+00 2.8370E+00 1.4299E+01 O6 4099 15.999400 -0.847600 1.7747E+01 6.1626E-01 -2.3491E+00 H1 4100 1.008000 0.423800 1.8480E+01 1.1214E+00 -2.8047E+00 H2 4101 1.008000 0.423800 1.6929E+01 1.1892E+00 -2.2985E+00 O6 4102 15.999400 -0.847600 1.8490E+00 -7.5542E+00 1.7721E+01 H1 4103 1.008000 0.423800 1.3289E+00 -7.4694E+00 1.8571E+01 H2 4104 1.008000 0.423800 2.7404E+00 -7.9636E+00 1.7915E+01 O6 4105 15.999400 -0.847600 1.6899E+01 -4.2060E+00 1.0238E+01 H1 4106 1.008000 0.423800 1.6838E+01 -3.8606E+00 9.3011E+00 H2 4107 1.008000 0.423800 1.6817E+01 -3.4440E+00 1.0880E+01 O6 4108 15.999400 -0.847600 -1.9533E+01 2.0270E+00 9.3823E+00 H1 4109 1.008000 0.423800 -1.8816E+01 2.4978E+00 8.8679E+00 H2 4110 1.008000 0.423800 1.8759E+01 1.9109E+00 8.8014E+00 O6 4111 15.999400 -0.847600 -1.4967E+01 -3.9567E+00 1.1037E+01 H1 4112 1.008000 0.423800 -1.3983E+01 -4.0649E+00 1.1176E+01 H2 4113 1.008000 0.423800 -1.5375E+01 -4.8467E+00 1.0832E+01 O6 4114 15.999400 -0.847600 -9.0336E+00 1.1492E+00 -1.6439E+01 H1 4115 1.008000 0.423800 -8.3916E+00 5.3414E-01 -1.5981E+01 H2 4116 1.008000 0.423800 -8.6339E+00 1.4689E+00 -1.7298E+01 O6 4117 15.999400 -0.847600 -5.3517E+00 8.2808E+00 8.9906E+00 H1 4118 1.008000 0.423800 -5.5951E+00 7.3120E+00 9.0373E+00 H2 4119 1.008000 0.423800 -5.0818E+00 8.5120E+00 8.0559E+00 O6 4120 15.999400 -0.847600 4.5524E+00 9.0921E+00 -1.4076E+01 H1 4121 1.008000 0.423800 3.8916E+00 8.3755E+00 -1.4300E+01 H2 4122 1.008000 0.423800 4.0744E+00 9.8719E+00 -1.3672E+01 O6 4123 15.999400 -0.847600 7.4291E+00 -3.0624E+00 -1.9192E+01 H1 4124 1.008000 0.423800 7.1991E+00 -3.7305E+00 -1.8484E+01 H2 4125 1.008000 0.423800 8.2298E+00 -2.5361E+00 -1.8905E+01 O6 4126 15.999400 -0.847600 1.9397E+01 8.8491E-01 1.6049E+01 H1 4127 1.008000 0.423800 1.8968E+01 6.3952E-01 1.6918E+01 H2 4128 1.008000 0.423800 1.8873E+01 4.8784E-01 1.5295E+01 O6 4129 15.999400 -0.847600 8.7798E-01 1.6080E+01 8.8693E+00 H1 4130 1.008000 0.423800 1.5587E+00 1.6385E+01 9.5352E+00 H2 4131 1.008000 0.423800 3.8459E-01 1.6872E+01 8.5100E+00 O6 4132 15.999400 -0.847600 1.0929E+01 1.5250E+01 -2.8224E+00 H1 4133 1.008000 0.423800 1.0644E+01 1.4464E+01 -2.2743E+00 H2 4134 1.008000 0.423800 1.0308E+01 1.5359E+01 -3.5979E+00 O6 4135 15.999400 -0.847600 -1.6828E+00 -1.5974E+01 -6.3018E+00 H1 4136 1.008000 0.423800 -1.1651E+00 -1.6210E+01 -5.4793E+00 H2 4137 1.008000 0.423800 -2.6154E+00 -1.5719E+01 -6.0468E+00 O6 4138 15.999400 -0.847600 1.7828E+01 5.2726E+00 9.7011E+00 H1 4139 1.008000 0.423800 1.7294E+01 4.4369E+00 9.5735E+00 H2 4140 1.008000 0.423800 1.8481E+01 5.1402E+00 1.0447E+01 O6 4141 15.999400 -0.847600 -1.9713E+00 3.4389E+00 -9.1938E+00 H1 4142 1.008000 0.423800 -2.8613E+00 3.6181E+00 -8.7745E+00 H2 4143 1.008000 0.423800 -1.9375E+00 3.8636E+00 -1.0098E+01 O6 4144 15.999400 -0.847600 -9.5409E+00 -4.1834E+00 7.0850E+00 H1 4145 1.008000 0.423800 -8.7026E+00 -4.5734E+00 7.4660E+00 H2 4146 1.008000 0.423800 -9.9526E+00 -4.8357E+00 6.4485E+00 O6 4147 15.999400 -0.847600 -7.4561E+00 1.1954E+01 1.8315E+01 H1 4148 1.008000 0.423800 -7.9578E+00 1.2020E+01 1.7453E+01 H2 4149 1.008000 0.423800 -6.4776E+00 1.2064E+01 1.8141E+01 O6 4150 15.999400 -0.847600 -1.8789E+01 -9.8443E+00 1.4701E+01 H1 4151 1.008000 0.423800 -1.8409E+01 -1.0260E+01 1.3875E+01 H2 4152 1.008000 0.423800 1.9386E+01 -9.5077E+00 1.4511E+01 O6 4153 15.999400 -0.847600 -1.8128E+00 9.4045E+00 2.1154E+00 H1 4154 1.008000 0.423800 -1.1319E+00 8.7225E+00 2.3824E+00 H2 4155 1.008000 0.423800 -2.0761E+00 9.9436E+00 2.9154E+00 O6 4156 15.999400 -0.847600 1.1199E+01 -2.7302E+00 -3.5414E+00 H1 4157 1.008000 0.423800 1.1360E+01 -3.3387E+00 -4.3184E+00 H2 4158 1.008000 0.423800 1.1064E+01 -3.2750E+00 -2.7137E+00 O6 4159 15.999400 -0.847600 9.3499E+00 -1.2481E+01 -1.3826E+01 H1 4160 1.008000 0.423800 8.3727E+00 -1.2321E+01 -1.3687E+01 H2 4161 1.008000 0.423800 9.7270E+00 -1.1757E+01 -1.4403E+01 O6 4162 15.999400 -0.847600 1.8544E+01 -2.6395E-01 -1.1862E+01 H1 4163 1.008000 0.423800 1.8714E+01 -7.8818E-01 -1.1027E+01 H2 4164 1.008000 0.423800 1.8851E+01 6.7863E-01 -1.1732E+01 O6 4165 15.999400 -0.847600 1.1714E+00 5.3982E+00 -1.2649E+00 H1 4166 1.008000 0.423800 1.6369E+00 5.2603E+00 -3.9065E-01 H2 4167 1.008000 0.423800 3.0672E-01 5.8762E+00 -1.1102E+00 O6 4168 15.999400 -0.847600 1.5813E+01 -9.7231E-01 1.6209E+01 H1 4169 1.008000 0.423800 1.6559E+01 -1.2672E+00 1.5613E+01 H2 4170 1.008000 0.423800 1.5259E+01 -1.7643E+00 1.6467E+01 O6 4171 15.999400 -0.847600 1.4407E+01 1.8353E+01 -1.4261E+01 H1 4172 1.008000 0.423800 1.5294E+01 1.8814E+01 -1.4286E+01 H2 4173 1.008000 0.423800 1.3799E+01 1.8762E+01 -1.4942E+01 O6 4174 15.999400 -0.847600 -6.9298E-01 5.7721E-01 -8.3871E+00 H1 4175 1.008000 0.423800 -1.7693E-01 1.2395E+00 -8.9303E+00 H2 4176 1.008000 0.423800 -1.0562E+00 1.0265E+00 -7.5709E+00 O6 4177 15.999400 -0.847600 2.4604E+00 -1.6345E+01 -7.8218E+00 H1 4178 1.008000 0.423800 2.9799E+00 -1.6408E+01 -6.9697E+00 H2 4179 1.008000 0.423800 2.6511E+00 -1.7146E+01 -8.3887E+00 O6 4180 15.999400 -0.847600 -9.9489E-01 -3.1195E+00 1.2233E+01 H1 4181 1.008000 0.423800 -2.0133E-01 -2.5219E+00 1.2348E+01 H2 4182 1.008000 0.423800 -8.3803E-01 -3.9791E+00 1.2719E+01 O6 4183 15.999400 -0.847600 1.4069E+01 -1.8897E+01 -1.8068E+01 H1 4184 1.008000 0.423800 1.3498E+01 -1.8945E+01 -1.8887E+01 H2 4185 1.008000 0.423800 1.3573E+01 -1.9285E+01 -1.7291E+01 O6 4186 15.999400 -0.847600 1.2218E+01 1.5455E+01 1.7052E+01 H1 4187 1.008000 0.423800 1.2030E+01 1.4473E+01 1.7057E+01 H2 4188 1.008000 0.423800 1.3202E+01 1.5606E+01 1.7146E+01 O6 4189 15.999400 -0.847600 -1.8262E+01 -1.6307E+01 5.3563E-01 H1 4190 1.008000 0.423800 -1.8402E+01 -1.6340E+01 -4.5398E-01 H2 4191 1.008000 0.423800 -1.8326E+01 -1.5359E+01 8.4934E-01 O6 4192 15.999400 -0.847600 2.8021E+00 1.3834E+01 1.9798E+00 H1 4193 1.008000 0.423800 2.6140E+00 1.4600E+01 1.3649E+00 H2 4194 1.008000 0.423800 2.8114E+00 1.4160E+01 2.9251E+00 O6 4195 15.999400 -0.847600 -1.9445E+01 -1.5699E+01 6.2616E+00 H1 4196 1.008000 0.423800 -1.8720E+01 -1.5915E+01 5.6076E+00 H2 4197 1.008000 0.423800 -1.9112E+01 -1.5021E+01 6.9170E+00 O6 4198 15.999400 -0.847600 -1.8216E+01 1.4700E+01 -5.3827E+00 H1 4199 1.008000 0.423800 -1.8549E+01 1.5642E+01 -5.4174E+00 H2 4200 1.008000 0.423800 -1.8260E+01 1.4365E+01 -4.4414E+00 O6 4201 15.999400 -0.847600 -1.0708E+01 1.0144E+00 -9.4836E+00 H1 4202 1.008000 0.423800 -1.0133E+01 3.3354E-01 -9.9377E+00 H2 4203 1.008000 0.423800 -1.1665E+01 7.3218E-01 -9.5386E+00 O6 4204 15.999400 -0.847600 7.3141E+00 -6.6420E+00 1.2224E+01 H1 4205 1.008000 0.423800 7.5113E+00 -7.4269E+00 1.1637E+01 H2 4206 1.008000 0.423800 7.9301E+00 -5.8891E+00 1.1992E+01 O6 4207 15.999400 -0.847600 -1.7765E+00 -1.6768E+01 1.7505E+01 H1 4208 1.008000 0.423800 -2.3867E+00 -1.5981E+01 1.7420E+01 H2 4209 1.008000 0.423800 -2.2051E+00 -1.7461E+01 1.8084E+01 O6 4210 15.999400 -0.847600 1.6407E+01 1.3747E+01 -4.3329E-01 H1 4211 1.008000 0.423800 1.5862E+01 1.4333E+01 1.6585E-01 H2 4212 1.008000 0.423800 1.6272E+01 1.2790E+01 -1.7636E-01 O6 4213 15.999400 -0.847600 -1.4098E+01 -9.2578E-01 9.1518E+00 H1 4214 1.008000 0.423800 -1.3265E+01 -1.4723E+00 9.0718E+00 H2 4215 1.008000 0.423800 -1.4283E+01 -7.3888E-01 1.0117E+01 O6 4216 15.999400 -0.847600 -1.5710E+01 -6.5853E+00 -9.0459E+00 H1 4217 1.008000 0.423800 -1.6614E+01 -6.2011E+00 -9.2356E+00 H2 4218 1.008000 0.423800 -1.5322E+01 -6.9555E+00 -9.8897E+00 O6 4219 15.999400 -0.847600 5.4113E-01 -1.4587E+00 6.9025E+00 H1 4220 1.008000 0.423800 4.6129E-01 -1.9705E+00 7.7579E+00 H2 4221 1.008000 0.423800 -1.7342E-01 -7.6019E-01 6.8642E+00 O6 4222 15.999400 -0.847600 1.5058E+01 1.5346E+00 -2.1944E+00 H1 4223 1.008000 0.423800 1.4569E+01 2.2167E+00 -1.6502E+00 H2 4224 1.008000 0.423800 1.4648E+01 1.4787E+00 -3.1048E+00 O6 4225 15.999400 -0.847600 -2.7190E+00 1.7928E+01 -1.3628E+01 H1 4226 1.008000 0.423800 -1.9402E+00 1.7331E+01 -1.3434E+01 H2 4227 1.008000 0.423800 -2.7873E+00 1.8077E+01 -1.4614E+01 O6 4228 15.999400 -0.847600 7.1911E+00 -5.3255E+00 -1.2229E+01 H1 4229 1.008000 0.423800 8.0407E+00 -4.8800E+00 -1.1947E+01 H2 4230 1.008000 0.423800 6.4116E+00 -4.7677E+00 -1.1944E+01 O6 4231 15.999400 -0.847600 -1.8004E+01 -6.1268E+00 -1.0677E+01 H1 4232 1.008000 0.423800 -1.7259E+01 -6.4494E+00 -1.1261E+01 H2 4233 1.008000 0.423800 -1.8650E+01 -6.8730E+00 -1.0519E+01 O6 4234 15.999400 -0.847600 3.1475E+00 1.4028E+01 -4.1598E+00 H1 4235 1.008000 0.423800 2.7824E+00 1.3646E+01 -5.0089E+00 H2 4236 1.008000 0.423800 2.4531E+00 1.3970E+01 -3.4426E+00 O6 4237 15.999400 -0.847600 9.8857E+00 -4.8419E-01 -2.6222E+00 H1 4238 1.008000 0.423800 1.0445E+01 -1.1829E+00 -3.0688E+00 H2 4239 1.008000 0.423800 9.0819E+00 -9.1349E-01 -2.2103E+00 O6 4240 15.999400 -0.847600 -1.0989E+01 -1.8607E+01 1.2949E+01 H1 4241 1.008000 0.423800 -1.1173E+01 -1.9203E+01 1.2167E+01 H2 4242 1.008000 0.423800 -1.0786E+01 -1.7684E+01 1.2624E+01 O6 4243 15.999400 -0.847600 1.9241E+01 -3.7082E+00 -2.4774E+00 H1 4244 1.008000 0.423800 1.9402E+01 -4.3008E+00 -1.6882E+00 H2 4245 1.008000 0.423800 1.8719E+01 -2.9049E+00 -2.1900E+00 O6 4246 15.999400 -0.847600 1.9280E+01 7.4329E+00 4.2224E-01 H1 4247 1.008000 0.423800 -1.9528E+01 8.3624E+00 1.9380E-01 H2 4248 1.008000 0.423800 1.9423E+01 7.2697E+00 1.3984E+00 O6 4249 15.999400 -0.847600 -1.0216E+01 -1.0216E+01 1.6773E+00 H1 4250 1.008000 0.423800 -9.7405E+00 -1.0935E+01 2.1846E+00 H2 4251 1.008000 0.423800 -1.0927E+01 -9.8153E+00 2.2546E+00 O6 4252 15.999400 -0.847600 1.2443E+01 -4.8251E-01 5.6385E+00 H1 4253 1.008000 0.423800 1.3037E+01 -8.0040E-01 6.3773E+00 H2 4254 1.008000 0.423800 1.2744E+01 4.2118E-01 5.3341E+00 O6 4255 15.999400 -0.847600 -5.9033E+00 -1.6612E+01 -3.8344E+00 H1 4256 1.008000 0.423800 -6.2211E+00 -1.7492E+01 -4.1865E+00 H2 4257 1.008000 0.423800 -6.6500E+00 -1.6158E+01 -3.3477E+00 O6 4258 15.999400 -0.847600 1.0964E+01 9.8288E+00 -2.4684E+00 H1 4259 1.008000 0.423800 1.1743E+01 1.0354E+01 -2.8105E+00 H2 4260 1.008000 0.423800 1.0325E+01 1.0444E+01 -2.0063E+00 O6 4261 15.999400 -0.847600 1.7126E+00 -6.1647E+00 -1.1716E+01 H1 4262 1.008000 0.423800 1.7508E+00 -5.3628E+00 -1.1120E+01 H2 4263 1.008000 0.423800 2.3766E+00 -6.0612E+00 -1.2456E+01 O6 4264 15.999400 -0.847600 -8.7116E+00 1.8502E+01 -1.5436E+01 H1 4265 1.008000 0.423800 -8.1817E+00 1.9202E+01 -1.5916E+01 H2 4266 1.008000 0.423800 -9.6774E+00 1.8590E+01 -1.5680E+01 O6 4267 15.999400 -0.847600 -6.3463E+00 4.1686E+00 6.7261E+00 H1 4268 1.008000 0.423800 -6.5264E+00 4.9029E+00 6.0717E+00 H2 4269 1.008000 0.423800 -5.6579E+00 3.5484E+00 6.3500E+00 O6 4270 15.999400 -0.847600 9.1743E+00 -1.5005E+01 1.5109E+01 H1 4271 1.008000 0.423800 8.9748E+00 -1.5004E+01 1.4129E+01 H2 4272 1.008000 0.423800 1.0163E+01 -1.5062E+01 1.5247E+01 O6 4273 15.999400 -0.847600 -1.3279E+01 1.0758E+01 4.6166E+00 H1 4274 1.008000 0.423800 -1.4118E+01 1.0267E+01 4.3813E+00 H2 4275 1.008000 0.423800 -1.3385E+01 1.1188E+01 5.5135E+00 O6 4276 15.999400 -0.847600 -1.6525E+01 8.9131E+00 -1.5556E+01 H1 4277 1.008000 0.423800 -1.6270E+01 8.3604E+00 -1.6349E+01 H2 4278 1.008000 0.423800 -1.5784E+01 8.8932E+00 -1.4884E+01 O6 4279 15.999400 -0.847600 1.8739E+00 1.6347E+01 -7.2947E+00 H1 4280 1.008000 0.423800 1.5631E+00 1.6435E+01 -8.2411E+00 H2 4281 1.008000 0.423800 2.5780E+00 1.7033E+01 -7.1100E+00 O6 4282 15.999400 -0.847600 -1.2922E+01 -1.8565E+01 3.7370E+00 H1 4283 1.008000 0.423800 -1.3843E+01 -1.8736E+01 4.0869E+00 H2 4284 1.008000 0.423800 -1.2309E+01 -1.9294E+01 4.0418E+00 O6 4285 15.999400 -0.847600 4.5652E+00 1.7555E+01 1.8542E+01 H1 4286 1.008000 0.423800 3.8210E+00 1.6908E+01 1.8708E+01 H2 4287 1.008000 0.423800 4.7608E+00 1.7594E+01 1.7562E+01 O6 4288 15.999400 -0.847600 -1.0690E+01 1.3710E+01 9.2604E+00 H1 4289 1.008000 0.423800 -1.0534E+01 1.3450E+01 1.0214E+01 H2 4290 1.008000 0.423800 -9.9211E+00 1.3401E+01 8.7008E+00 O6 4291 15.999400 -0.847600 -4.5731E+00 1.6223E+01 -3.2346E+00 H1 4292 1.008000 0.423800 -4.0455E+00 1.6970E+01 -3.6393E+00 H2 4293 1.008000 0.423800 -5.4203E+00 1.6586E+01 -2.8464E+00 O6 4294 15.999400 -0.847600 -1.6982E+01 -1.2378E+01 1.8050E+01 H1 4295 1.008000 0.423800 -1.7476E+01 -1.3224E+01 1.8251E+01 H2 4296 1.008000 0.423800 -1.6098E+01 -1.2390E+01 1.8518E+01 O6 4297 15.999400 -0.847600 7.9273E-01 -6.3722E+00 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1.008000 0.423800 -1.4810E+01 8.7976E+00 8.3181E+00 O6 4315 15.999400 -0.847600 -7.9315E-01 -8.2765E+00 2.1788E+00 H1 4316 1.008000 0.423800 -1.5344E+00 -8.6132E+00 2.7595E+00 H2 4317 1.008000 0.423800 -1.1071E-01 -8.9974E+00 2.0582E+00 O6 4318 15.999400 -0.847600 -1.8194E+01 2.4592E+00 -9.3996E+00 H1 4319 1.008000 0.423800 -1.7846E+01 2.6483E+00 -1.0318E+01 H2 4320 1.008000 0.423800 -1.9163E+01 2.2160E+00 -9.4544E+00 O6 4321 15.999400 -0.847600 -7.5772E+00 9.6286E+00 1.3577E+01 H1 4322 1.008000 0.423800 -7.4245E+00 9.3339E+00 1.4521E+01 H2 4323 1.008000 0.423800 -6.6965E+00 9.7801E+00 1.3129E+01 O6 4324 15.999400 -0.847600 5.1503E+00 -1.7047E+01 -9.8217E+00 H1 4325 1.008000 0.423800 6.1092E+00 -1.7318E+01 -9.7383E+00 H2 4326 1.008000 0.423800 4.5646E+00 -1.7845E+01 -9.6768E+00 O6 4327 15.999400 -0.847600 1.9142E+00 -5.0471E+00 -9.6905E-01 H1 4328 1.008000 0.423800 1.4607E+00 -5.9231E+00 -1.1339E+00 H2 4329 1.008000 0.423800 2.1081E+00 -4.6025E+00 -1.8435E+00 O6 4330 15.999400 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1.6185E+01 -1.0135E+00 H2 4347 1.008000 0.423800 -1.5458E+01 1.7559E+01 -1.2291E+00 O6 4348 15.999400 -0.847600 6.3200E+00 -1.0053E+01 -2.9201E+00 H1 4349 1.008000 0.423800 6.1661E+00 -9.0779E+00 -3.0780E+00 H2 4350 1.008000 0.423800 7.1069E+00 -1.0173E+01 -2.3148E+00 O6 4351 15.999400 -0.847600 -9.9882E+00 7.6161E+00 2.6471E+00 H1 4352 1.008000 0.423800 -1.0402E+01 7.9049E+00 1.7837E+00 H2 4353 1.008000 0.423800 -9.0214E+00 7.4075E+00 2.5002E+00 O6 4354 15.999400 -0.847600 3.1331E+00 -7.9164E+00 -1.8410E+01 H1 4355 1.008000 0.423800 3.7267E+00 -7.5569E+00 -1.7690E+01 H2 4356 1.008000 0.423800 3.2403E+00 -8.9091E+00 -1.8466E+01 O6 4357 15.999400 -0.847600 1.4267E+01 -1.3765E+01 -1.3602E+01 H1 4358 1.008000 0.423800 1.3630E+01 -1.4519E+01 -1.3438E+01 H2 4359 1.008000 0.423800 1.4110E+01 -1.3044E+01 -1.2928E+01 O6 4360 15.999400 -0.847600 6.6348E+00 1.3793E+00 -8.1297E+00 H1 4361 1.008000 0.423800 6.8004E+00 3.9306E-01 -8.1294E+00 H2 4362 1.008000 0.423800 6.1313E+00 1.6329E+00 -7.3038E+00 O6 4363 15.999400 -0.847600 1.8763E+01 9.7256E+00 1.1359E+01 H1 4364 1.008000 0.423800 -1.9378E+01 9.8222E+00 1.1083E+01 H2 4365 1.008000 0.423800 1.8660E+01 1.0016E+01 1.2311E+01 O6 4366 15.999400 -0.847600 1.2103E+01 -2.9241E+00 1.0593E+01 H1 4367 1.008000 0.423800 1.2164E+01 -3.1517E+00 9.6214E+00 H2 4368 1.008000 0.423800 1.2209E+01 -3.7561E+00 1.1138E+01 O6 4369 15.999400 -0.847600 -8.5505E+00 -1.2379E+01 5.9365E+00 H1 4370 1.008000 0.423800 -9.2842E+00 -1.1709E+01 6.0494E+00 H2 4371 1.008000 0.423800 -7.7839E+00 -1.2137E+01 6.5313E+00 O6 4372 15.999400 -0.847600 -4.5294E+00 -1.9114E+00 -1.7496E+01 H1 4373 1.008000 0.423800 -4.3332E+00 -1.6449E+00 -1.8440E+01 H2 4374 1.008000 0.423800 -3.6828E+00 -1.9005E+00 -1.6964E+01 O6 4375 15.999400 -0.847600 -8.8857E+00 8.2433E+00 5.7388E+00 H1 4376 1.008000 0.423800 -8.1948E+00 8.6733E+00 5.1577E+00 H2 4377 1.008000 0.423800 -8.6488E+00 8.3863E+00 6.6998E+00 O6 4378 15.999400 -0.847600 -4.0083E+00 8.1733E+00 -9.3018E+00 H1 4379 1.008000 0.423800 -4.5742E+00 8.6306E+00 -8.6157E+00 H2 4380 1.008000 0.423800 -4.3831E+00 7.2659E+00 -9.4918E+00 O6 4381 15.999400 -0.847600 1.9542E+01 -9.2071E+00 4.2363E+00 H1 4382 1.008000 0.423800 1.9046E+01 -9.7633E+00 3.5697E+00 H2 4383 1.008000 0.423800 1.9301E+01 -9.5016E+00 5.1611E+00 O6 4384 15.999400 -0.847600 1.7727E+01 -1.6379E+01 -1.0053E+00 H1 4385 1.008000 0.423800 1.7732E+01 -1.7372E+01 -8.9246E-01 H2 4386 1.008000 0.423800 1.8380E+01 -1.6121E+01 -1.7172E+00 O6 4387 15.999400 -0.847600 1.7060E-01 -1.4040E+01 -1.2442E+01 H1 4388 1.008000 0.423800 1.1082E+00 -1.4092E+01 -1.2786E+01 H2 4389 1.008000 0.423800 -1.8617E-01 -1.4965E+01 -1.2307E+01 O6 4390 15.999400 -0.847600 1.3018E+01 1.3303E+01 -1.8951E+01 H1 4391 1.008000 0.423800 1.2344E+01 1.3035E+01 -1.8262E+01 H2 4392 1.008000 0.423800 1.3836E+01 1.3657E+01 -1.8498E+01 O6 4393 15.999400 -0.847600 -1.5899E+00 1.2579E+01 7.1056E+00 H1 4394 1.008000 0.423800 -7.2123E-01 1.2123E+01 7.2993E+00 H2 4395 1.008000 0.423800 -2.3383E+00 1.1922E+01 7.1946E+00 O6 4396 15.999400 -0.847600 2.3105E+00 -6.1063E+00 1.4949E+01 H1 4397 1.008000 0.423800 2.7153E+00 -6.9679E+00 1.5255E+01 H2 4398 1.008000 0.423800 2.8567E+00 -5.3415E+00 1.5291E+01 O6 4399 15.999400 -0.847600 1.9382E+01 1.4984E+01 -9.9409E+00 H1 4400 1.008000 0.423800 1.8669E+01 1.5606E+01 -9.6172E+00 H2 4401 1.008000 0.423800 -1.9028E+01 1.5502E+01 -1.0450E+01 O6 4402 15.999400 -0.847600 1.1500E+01 -9.0701E+00 4.2168E+00 H1 4403 1.008000 0.423800 1.1357E+01 -8.3445E+00 4.8901E+00 H2 4404 1.008000 0.423800 1.0711E+01 -9.6845E+00 4.2170E+00 O6 4405 15.999400 -0.847600 -7.1269E+00 -2.2268E+00 4.9363E+00 H1 4406 1.008000 0.423800 -7.6722E+00 -1.9966E+00 5.7423E+00 H2 4407 1.008000 0.423800 -6.5856E+00 -1.4319E+00 4.6620E+00 O6 4408 15.999400 -0.847600 8.7893E+00 -1.3687E+01 -9.1256E+00 H1 4409 1.008000 0.423800 9.4793E+00 -1.3921E+01 -8.4405E+00 H2 4410 1.008000 0.423800 8.4937E+00 -1.2742E+01 -8.9918E+00 O6 4411 15.999400 -0.847600 -6.5363E+00 -1.0688E+01 -1.0646E+01 H1 4412 1.008000 0.423800 -6.6668E+00 -9.7150E+00 -1.0839E+01 H2 4413 1.008000 0.423800 -6.4480E+00 -1.0823E+01 -9.6596E+00 O6 4414 15.999400 -0.847600 1.7054E+00 8.1347E+00 -1.0385E+01 H1 4415 1.008000 0.423800 1.2968E+00 7.2316E+00 -1.0253E+01 H2 4416 1.008000 0.423800 1.2735E+00 8.7898E+00 -9.7650E+00 O6 4417 15.999400 -0.847600 -1.5019E+01 -7.9548E+00 -1.9390E+01 H1 4418 1.008000 0.423800 -1.5283E+01 -7.5306E+00 1.8841E+01 H2 4419 1.008000 0.423800 -1.5834E+01 -8.1129E+00 -1.8834E+01 O6 4420 15.999400 -0.847600 -1.1047E+01 1.7857E+01 7.3338E+00 H1 4421 1.008000 0.423800 -1.0073E+01 1.7971E+01 7.5344E+00 H2 4422 1.008000 0.423800 -1.1201E+01 1.7975E+01 6.3530E+00 O6 4423 15.999400 -0.847600 7.6982E-01 -8.0398E-01 1.0179E-02 H1 4424 1.008000 0.423800 8.6711E-01 -1.7299E+00 3.7518E-01 H2 4425 1.008000 0.423800 1.5625E+00 -2.5571E-01 2.7671E-01 O6 4426 15.999400 -0.847600 3.0923E+00 8.1660E+00 -5.1270E+00 H1 4427 1.008000 0.423800 3.7278E+00 7.4611E+00 -4.8120E+00 H2 4428 1.008000 0.423800 3.0978E+00 8.9314E+00 -4.4836E+00 O6 4429 15.999400 -0.847600 -6.2639E+00 -6.1201E+00 -1.7939E+01 H1 4430 1.008000 0.423800 -5.9148E+00 -5.3580E+00 -1.8484E+01 H2 4431 1.008000 0.423800 -6.1337E+00 -6.9756E+00 -1.8440E+01 O6 4432 15.999400 -0.847600 -1.4820E+01 -1.4558E+01 -1.4242E+01 H1 4433 1.008000 0.423800 -1.4074E+01 -1.3921E+01 -1.4435E+01 H2 4434 1.008000 0.423800 -1.5463E+01 -1.4135E+01 -1.3603E+01 O6 4435 15.999400 -0.847600 -5.9477E+00 -6.3959E+00 -9.1899E+00 H1 4436 1.008000 0.423800 -5.5485E+00 -6.8988E+00 -9.9566E+00 H2 4437 1.008000 0.423800 -6.8184E+00 -6.8154E+00 -8.9335E+00 O6 4438 15.999400 -0.847600 -1.7278E+01 8.8868E+00 1.2995E+01 H1 4439 1.008000 0.423800 -1.7437E+01 9.3020E+00 1.2099E+01 H2 4440 1.008000 0.423800 -1.6489E+01 9.3211E+00 1.3428E+01 O6 4441 15.999400 -0.847600 -1.8578E+01 1.2509E+01 -1.4629E+01 H1 4442 1.008000 0.423800 -1.8245E+01 1.2131E+01 -1.5493E+01 H2 4443 1.008000 0.423800 -1.8963E+01 1.1774E+01 -1.4070E+01 O6 4444 15.999400 -0.847600 3.2731E+00 1.3442E+01 1.6398E+01 H1 4445 1.008000 0.423800 2.9259E+00 1.2919E+01 1.7177E+01 H2 4446 1.008000 0.423800 4.2548E+00 1.3595E+01 1.6511E+01 O6 4447 15.999400 -0.847600 1.1834E+01 -7.2116E+00 1.8934E+01 H1 4448 1.008000 0.423800 1.1727E+01 -6.8724E+00 -1.9229E+01 H2 4449 1.008000 0.423800 1.1153E+01 -7.9230E+00 1.8758E+01 O6 4450 15.999400 -0.847600 4.3671E+00 1.7480E+01 7.4627E+00 H1 4451 1.008000 0.423800 4.3638E+00 1.8163E+01 8.1940E+00 H2 4452 1.008000 0.423800 4.2799E+00 1.6567E+01 7.8591E+00 O6 4453 15.999400 -0.847600 -4.4426E+00 -1.6747E+01 2.3425E+00 H1 4454 1.008000 0.423800 -4.7236E+00 -1.6598E+01 1.3943E+00 H2 4455 1.008000 0.423800 -4.9593E+00 -1.6137E+01 2.9428E+00 O6 4456 15.999400 -0.847600 6.5524E+00 8.9300E+00 1.9172E+01 H1 4457 1.008000 0.423800 7.2854E+00 9.6089E+00 1.9214E+01 H2 4458 1.008000 0.423800 5.8888E+00 9.1112E+00 -1.9200E+01 O6 4459 15.999400 -0.847600 -1.4464E+01 -1.1915E+01 1.9334E+01 H1 4460 1.008000 0.423800 -1.4447E+01 -1.2914E+01 1.9378E+01 H2 4461 1.008000 0.423800 -1.3643E+01 -1.1589E+01 1.8865E+01 O6 4462 15.999400 -0.847600 -1.6980E+01 3.2608E+00 2.1993E+00 H1 4463 1.008000 0.423800 -1.6053E+01 3.0710E+00 1.8758E+00 H2 4464 1.008000 0.423800 -1.7307E+01 2.4894E+00 2.7454E+00 O6 4465 15.999400 -0.847600 1.2878E+01 1.7851E+01 3.5003E+00 H1 4466 1.008000 0.423800 1.2470E+01 1.6990E+01 3.8036E+00 H2 4467 1.008000 0.423800 1.2290E+01 1.8612E+01 3.7743E+00 O6 4468 15.999400 -0.847600 2.2621E-01 -5.1998E+00 1.7432E+01 H1 4469 1.008000 0.423800 7.8200E-01 -5.9545E+00 1.7083E+01 H2 4470 1.008000 0.423800 -3.8235E-01 -5.5379E+00 1.8149E+01 O6 4471 15.999400 -0.847600 6.1572E+00 8.5167E+00 -1.0123E+01 H1 4472 1.008000 0.423800 5.9855E+00 9.4968E+00 -1.0023E+01 H2 4473 1.008000 0.423800 5.4572E+00 8.0031E+00 -9.6274E+00 O6 4474 15.999400 -0.847600 1.9183E+01 -9.3649E+00 -6.0964E+00 H1 4475 1.008000 0.423800 1.8533E+01 -8.8516E+00 -5.5353E+00 H2 4476 1.008000 0.423800 1.9442E+01 -8.8166E+00 -6.8915E+00 O6 4477 15.999400 -0.847600 1.0526E+01 -1.3859E+01 -1.2100E+01 H1 4478 1.008000 0.423800 9.9626E+00 -1.4218E+01 -1.1355E+01 H2 4479 1.008000 0.423800 9.9813E+00 -1.3235E+01 -1.2659E+01 O6 4480 15.999400 -0.847600 1.4070E+00 -4.3717E+00 -8.7078E+00 H1 4481 1.008000 0.423800 2.3535E+00 -4.3814E+00 -9.0304E+00 H2 4482 1.008000 0.423800 1.0730E+00 -3.4295E+00 -8.6827E+00 O6 4483 15.999400 -0.847600 1.0617E+01 4.2402E+00 -1.3868E+01 H1 4484 1.008000 0.423800 1.1125E+01 4.6178E+00 -1.3094E+01 H2 4485 1.008000 0.423800 9.7705E+00 3.8222E+00 -1.3540E+01 O6 4486 15.999400 -0.847600 -4.4901E+00 -1.6840E+01 1.1446E+01 H1 4487 1.008000 0.423800 -4.7887E+00 -1.5954E+01 1.1092E+01 H2 4488 1.008000 0.423800 -3.6752E+00 -1.7140E+01 1.0950E+01 O6 4489 15.999400 -0.847600 1.4728E+01 1.5663E-01 -1.2172E+01 H1 4490 1.008000 0.423800 1.5058E+01 1.0997E+00 -1.2218E+01 H2 4491 1.008000 0.423800 1.5462E+01 -4.6643E-01 -1.2442E+01 O6 4492 15.999400 -0.847600 -1.7006E+01 -1.2273E+01 1.5282E+01 H1 4493 1.008000 0.423800 -1.7893E+01 -1.2679E+01 1.5060E+01 H2 4494 1.008000 0.423800 -1.6820E+01 -1.2392E+01 1.6257E+01 O6 4495 15.999400 -0.847600 1.4182E+01 1.4756E+01 -8.0420E+00 H1 4496 1.008000 0.423800 1.3705E+01 1.3933E+01 -8.3507E+00 H2 4497 1.008000 0.423800 1.3820E+01 1.5552E+01 -8.5262E+00 O6 4498 15.999400 -0.847600 -9.6658E+00 1.4579E+01 -2.1771E+00 H1 4499 1.008000 0.423800 -1.0038E+01 1.5062E+01 -1.3845E+00 H2 4500 1.008000 0.423800 -9.4234E+00 1.5240E+01 -2.8870E+00 O6 4501 15.999400 -0.847600 -4.5988E-01 -6.3919E+00 -1.3425E+01 H1 4502 1.008000 0.423800 -5.4882E-01 -7.0536E+00 -1.4170E+01 H2 4503 1.008000 0.423800 2.9144E-01 -6.6651E+00 -1.2824E+01 O6 4504 15.999400 -0.847600 -1.8660E+01 9.0731E+00 1.9254E+01 H1 4505 1.008000 0.423800 -1.9213E+01 9.1072E+00 -1.9011E+01 H2 4506 1.008000 0.423800 -1.8591E+01 8.1267E+00 1.8939E+01 O6 4507 15.999400 -0.847600 -9.3782E+00 -6.0949E+00 1.8800E+01 H1 4508 1.008000 0.423800 -9.1597E+00 -5.9609E+00 -1.9331E+01 H2 4509 1.008000 0.423800 -8.5706E+00 -6.4378E+00 1.8320E+01 O6 4510 15.999400 -0.847600 -8.5073E+00 -1.6264E+01 -6.3143E+00 H1 4511 1.008000 0.423800 -8.2808E+00 -1.5512E+01 -5.6944E+00 H2 4512 1.008000 0.423800 -7.6646E+00 -1.6666E+01 -6.6718E+00 O6 4513 15.999400 -0.847600 -1.6189E+01 -1.0598E+01 -1.7801E+01 H1 4514 1.008000 0.423800 -1.5915E+01 -1.0917E+01 -1.8708E+01 H2 4515 1.008000 0.423800 -1.6610E+01 -9.6941E+00 -1.7878E+01 O6 4516 15.999400 -0.847600 -1.1831E+01 -3.1672E+00 8.4130E+00 H1 4517 1.008000 0.423800 -1.2072E+01 -3.5387E+00 9.3096E+00 H2 4518 1.008000 0.423800 -1.1039E+01 -3.6583E+00 8.0508E+00 O6 4519 15.999400 -0.847600 8.0350E+00 1.9495E+01 -1.2982E+00 H1 4520 1.008000 0.423800 7.1288E+00 1.9501E+01 -8.7520E-01 H2 4521 1.008000 0.423800 8.6091E+00 -1.8907E+01 -8.6730E-01 O6 4522 15.999400 -0.847600 1.0427E+01 1.5154E+01 -5.5339E+00 H1 4523 1.008000 0.423800 1.1294E+01 1.4760E+01 -5.2309E+00 H2 4524 1.008000 0.423800 9.8596E+00 1.4438E+01 -5.9410E+00 O6 4525 15.999400 -0.847600 1.1227E+01 1.2020E+01 6.9446E+00 H1 4526 1.008000 0.423800 1.1014E+01 1.2351E+01 6.0252E+00 H2 4527 1.008000 0.423800 1.2217E+01 1.2034E+01 7.0836E+00 O6 4528 15.999400 -0.847600 -8.4282E+00 -1.3801E+01 -5.1578E+00 H1 4529 1.008000 0.423800 -9.3547E+00 -1.3655E+01 -5.5047E+00 H2 4530 1.008000 0.423800 -7.8964E+00 -1.2961E+01 -5.2641E+00 O6 4531 15.999400 -0.847600 -5.8832E+00 -9.5417E+00 1.1263E+01 H1 4532 1.008000 0.423800 -6.4996E+00 -1.0058E+01 1.1857E+01 H2 4533 1.008000 0.423800 -5.1484E+00 -1.0140E+01 1.0944E+01 O6 4534 15.999400 -0.847600 -9.4309E+00 -1.1050E+01 1.5183E+01 H1 4535 1.008000 0.423800 -9.3196E+00 -1.1083E+01 1.6176E+01 H2 4536 1.008000 0.423800 -1.0113E+01 -1.0358E+01 1.4947E+01 O6 4537 15.999400 -0.847600 -1.1806E+01 -1.8908E+00 1.4351E+01 H1 4538 1.008000 0.423800 -1.1651E+01 -9.1135E-01 1.4222E+01 H2 4539 1.008000 0.423800 -1.1511E+01 -2.3855E+00 1.3533E+01 O6 4540 15.999400 -0.847600 -1.6374E+01 -5.8157E+00 -1.6660E+01 H1 4541 1.008000 0.423800 -1.7077E+01 -5.1196E+00 -1.6515E+01 H2 4542 1.008000 0.423800 -1.5720E+01 -5.4915E+00 -1.7343E+01 O6 4543 15.999400 -0.847600 -1.5155E+01 1.4759E+01 -1.4433E+01 H1 4544 1.008000 0.423800 -1.4974E+01 1.3777E+01 -1.4489E+01 H2 4545 1.008000 0.423800 -1.4639E+01 1.5150E+01 -1.3670E+01 O6 4546 15.999400 -0.847600 -9.8361E+00 -9.3326E+00 -4.2442E+00 H1 4547 1.008000 0.423800 -1.0613E+01 -9.8208E+00 -4.6409E+00 H2 4548 1.008000 0.423800 -9.1559E+00 -9.1551E+00 -4.9554E+00 O6 4549 15.999400 -0.847600 1.5054E+00 -1.7960E+01 1.5059E+01 H1 4550 1.008000 0.423800 1.1976E+00 -1.8350E+01 1.5927E+01 H2 4551 1.008000 0.423800 1.5771E+00 -1.6966E+01 1.5146E+01 O6 4552 15.999400 -0.847600 5.1969E+00 1.2482E+00 1.3027E+01 H1 4553 1.008000 0.423800 5.4077E+00 2.1941E+00 1.3274E+01 H2 4554 1.008000 0.423800 5.1983E+00 1.1550E+00 1.2031E+01 O6 4555 15.999400 -0.847600 3.5368E+00 1.5138E+01 1.4170E+01 H1 4556 1.008000 0.423800 2.7541E+00 1.5555E+01 1.3708E+01 H2 4557 1.008000 0.423800 3.2239E+00 1.4663E+01 1.4993E+01 O6 4558 15.999400 -0.847600 -1.0163E+01 -5.3651E+00 -5.3360E-01 H1 4559 1.008000 0.423800 -1.1042E+01 -5.6804E+00 -8.9167E-01 H2 4560 1.008000 0.423800 -9.7625E+00 -6.0779E+00 4.2433E-02 O6 4561 15.999400 -0.847600 -1.6976E+00 -1.4832E+00 -1.3060E+01 H1 4562 1.008000 0.423800 -1.2199E+00 -2.1915E+00 -1.2540E+01 H2 4563 1.008000 0.423800 -1.0938E+00 -6.9560E-01 -1.3182E+01 O6 4564 15.999400 -0.847600 1.7388E+00 1.3661E+01 -6.7291E+00 H1 4565 1.008000 0.423800 1.0413E+00 1.3372E+01 -7.3853E+00 H2 4566 1.008000 0.423800 2.0655E+00 1.4574E+01 -6.9697E+00 O6 4567 15.999400 -0.847600 3.9683E+00 -4.5476E+00 -9.8013E+00 H1 4568 1.008000 0.423800 4.5457E+00 -5.2183E+00 -9.3356E+00 H2 4569 1.008000 0.423800 4.5199E+00 -4.0300E+00 -1.0455E+01 O6 4570 15.999400 -0.847600 -4.2281E+00 8.6643E+00 -1.8188E+01 H1 4571 1.008000 0.423800 -4.9094E+00 8.9603E+00 -1.8858E+01 H2 4572 1.008000 0.423800 -3.9643E+00 7.7185E+00 -1.8377E+01 O6 4573 15.999400 -0.847600 -1.9495E+01 1.7272E+00 -4.1174E+00 H1 4574 1.008000 0.423800 1.9509E+01 2.7036E+00 -4.3125E+00 H2 4575 1.008000 0.423800 -1.8703E+01 1.5801E+00 -3.5244E+00 O6 4576 15.999400 -0.847600 -7.3723E+00 1.0966E+01 -1.7286E+01 H1 4577 1.008000 0.423800 -7.4000E+00 1.0393E+01 -1.8105E+01 H2 4578 1.008000 0.423800 -8.1202E+00 1.0709E+01 -1.6674E+01 O6 4579 15.999400 -0.847600 -1.0516E+01 -1.7452E+01 -7.6228E+00 H1 4580 1.008000 0.423800 -1.1307E+01 -1.6939E+01 -7.9566E+00 H2 4581 1.008000 0.423800 -9.9015E+00 -1.6834E+01 -7.1324E+00 O6 4582 15.999400 -0.847600 2.2505E+00 1.8912E+01 6.4445E+00 H1 4583 1.008000 0.423800 2.8337E+00 1.8256E+01 6.9240E+00 H2 4584 1.008000 0.423800 2.3904E+00 1.8824E+01 5.4583E+00 O6 4585 15.999400 -0.847600 -4.3792E+00 9.0947E-01 -3.7260E+00 H1 4586 1.008000 0.423800 -4.7216E+00 -8.6555E-03 -3.9256E+00 H2 4587 1.008000 0.423800 -5.0588E+00 1.4093E+00 -3.1891E+00 O6 4588 15.999400 -0.847600 -3.0834E+00 1.5226E+01 1.0611E+01 H1 4589 1.008000 0.423800 -3.0397E+00 1.5019E+01 9.6332E+00 H2 4590 1.008000 0.423800 -2.3811E+00 1.4703E+01 1.1094E+01 O6 4591 15.999400 -0.847600 -1.6924E+01 -9.0366E-01 -5.9433E+00 H1 4592 1.008000 0.423800 -1.6602E+01 -1.0277E+00 -5.0047E+00 H2 4593 1.008000 0.423800 -1.7073E+01 -1.7978E+00 -6.3652E+00 O6 4594 15.999400 -0.847600 -2.7813E+00 -1.8778E+01 1.9280E+01 H1 4595 1.008000 0.423800 -3.2284E+00 -1.8182E+01 -1.9150E+01 H2 4596 1.008000 0.423800 -2.0133E+00 -1.9248E+01 -1.9383E+01 O6 4597 15.999400 -0.847600 5.9079E+00 1.4490E+01 1.7097E+01 H1 4598 1.008000 0.423800 6.4760E+00 1.4924E+01 1.6398E+01 H2 4599 1.008000 0.423800 6.0957E+00 1.4908E+01 1.7986E+01 O6 4600 15.999400 -0.847600 1.5280E+01 -9.3520E+00 -7.1459E+00 H1 4601 1.008000 0.423800 1.4361E+01 -9.6103E+00 -6.8475E+00 H2 4602 1.008000 0.423800 1.5340E+01 -8.3563E+00 -7.2148E+00 O6 4603 15.999400 -0.847600 -1.7420E+01 -1.1136E+01 -8.5875E+00 H1 4604 1.008000 0.423800 -1.8153E+01 -1.1716E+01 -8.9452E+00 H2 4605 1.008000 0.423800 -1.7722E+01 -1.0704E+01 -7.7379E+00 O6 4606 15.999400 -0.847600 1.4751E+01 1.5574E+01 -1.4385E+01 H1 4607 1.008000 0.423800 1.4840E+01 1.5100E+01 -1.3509E+01 H2 4608 1.008000 0.423800 1.4553E+01 1.6540E+01 -1.4223E+01 O6 4609 15.999400 -0.847600 4.5587E-01 -1.6157E+00 -1.7993E+01 H1 4610 1.008000 0.423800 9.1647E-01 -1.7983E+00 -1.8862E+01 H2 4611 1.008000 0.423800 -2.0786E-02 -7.3830E-01 -1.8047E+01 O6 4612 15.999400 -0.847600 1.0081E+01 4.8930E+00 -6.7759E+00 H1 4613 1.008000 0.423800 9.4631E+00 4.2052E+00 -7.1574E+00 H2 4614 1.008000 0.423800 9.5616E+00 5.5234E+00 -6.1987E+00 O6 4615 15.999400 -0.847600 -5.2935E+00 1.9520E+00 1.7605E+01 H1 4616 1.008000 0.423800 -6.1814E+00 2.0501E+00 1.7155E+01 H2 4617 1.008000 0.423800 -4.7854E+00 2.8100E+00 1.7530E+01 O6 4618 15.999400 -0.847600 3.5134E+00 -3.4334E+00 -1.7988E+01 H1 4619 1.008000 0.423800 3.5888E+00 -2.5742E+00 -1.7482E+01 H2 4620 1.008000 0.423800 2.9811E+00 -4.0896E+00 -1.7454E+01 O6 4621 15.999400 -0.847600 6.7727E+00 8.8343E+00 -1.6033E+01 H1 4622 1.008000 0.423800 6.4240E+00 8.1363E+00 -1.5407E+01 H2 4623 1.008000 0.423800 7.6861E+00 8.5746E+00 -1.6346E+01 O6 4624 15.999400 -0.847600 -5.6578E+00 1.7306E+00 -1.6071E+01 H1 4625 1.008000 0.423800 -5.9068E+00 2.6650E+00 -1.6326E+01 H2 4626 1.008000 0.423800 -5.6524E+00 1.1528E+00 -1.6887E+01 O6 4627 15.999400 -0.847600 -1.4107E+01 -9.9850E+00 8.5085E+00 H1 4628 1.008000 0.423800 -1.3337E+01 -9.5262E+00 8.9505E+00 H2 4629 1.008000 0.423800 -1.3782E+01 -1.0483E+01 7.7042E+00 O6 4630 15.999400 -0.847600 3.4948E+00 -1.1373E+01 3.4564E+00 H1 4631 1.008000 0.423800 3.4488E+00 -1.1733E+01 2.5247E+00 H2 4632 1.008000 0.423800 4.2611E+00 -1.1796E+01 3.9399E+00 O6 4633 15.999400 -0.847600 6.4351E+00 -9.7118E+00 2.1733E+00 H1 4634 1.008000 0.423800 6.8228E+00 -9.7479E+00 3.0944E+00 H2 4635 1.008000 0.423800 6.7073E+00 -8.8576E+00 1.7304E+00 O6 4636 15.999400 -0.847600 -1.3371E+01 1.4032E+01 8.6741E+00 H1 4637 1.008000 0.423800 -1.2396E+01 1.3941E+01 8.8770E+00 H2 4638 1.008000 0.423800 -1.3542E+01 1.4922E+01 8.2529E+00 O6 4639 15.999400 -0.847600 1.5350E+01 -9.7950E+00 -3.7104E+00 H1 4640 1.008000 0.423800 1.6069E+01 -9.4248E+00 -4.2983E+00 H2 4641 1.008000 0.423800 1.5752E+01 -1.0109E+01 -2.8501E+00 O6 4642 15.999400 -0.847600 6.6438E+00 1.5513E+01 -1.5943E+01 H1 4643 1.008000 0.423800 6.2699E+00 1.6290E+01 -1.6449E+01 H2 4644 1.008000 0.423800 7.6365E+00 1.5609E+01 -1.5870E+01 O6 4645 15.999400 -0.847600 9.5103E+00 1.6763E+01 -1.3094E+01 H1 4646 1.008000 0.423800 8.7444E+00 1.7254E+01 -1.2679E+01 H2 4647 1.008000 0.423800 1.0325E+01 1.6873E+01 -1.2524E+01 O6 4648 15.999400 -0.847600 -1.5485E+01 1.2737E+01 1.8121E+01 H1 4649 1.008000 0.423800 -1.5839E+01 1.1802E+01 1.8114E+01 H2 4650 1.008000 0.423800 -1.4642E+01 1.2778E+01 1.7584E+01 O6 4651 15.999400 -0.847600 -1.3121E+01 -7.2182E+00 1.3830E+01 H1 4652 1.008000 0.423800 -1.2484E+01 -7.8791E+00 1.4227E+01 H2 4653 1.008000 0.423800 -1.3416E+01 -6.5744E+00 1.4536E+01 O6 4654 15.999400 -0.847600 -7.0457E+00 5.9400E+00 1.0671E+01 H1 4655 1.008000 0.423800 -7.6400E+00 5.1395E+00 1.0594E+01 H2 4656 1.008000 0.423800 -6.3333E+00 5.8952E+00 9.9712E+00 O6 4657 15.999400 -0.847600 -1.4432E+01 1.5830E+01 -3.6687E+00 H1 4658 1.008000 0.423800 -1.4062E+01 1.6709E+01 -3.9692E+00 H2 4659 1.008000 0.423800 -1.5009E+01 1.5969E+01 -2.8641E+00 O6 4660 15.999400 -0.847600 7.8123E+00 1.5093E+01 -7.5170E-01 H1 4661 1.008000 0.423800 8.2869E+00 1.5971E+01 -6.8231E-01 H2 4662 1.008000 0.423800 8.0452E+00 1.4525E+01 3.7571E-02 O6 4663 15.999400 -0.847600 8.5668E+00 -1.5896E+01 9.9279E+00 H1 4664 1.008000 0.423800 8.8745E+00 -1.6816E+01 1.0169E+01 H2 4665 1.008000 0.423800 9.2930E+00 -1.5238E+01 1.0128E+01 O6 4666 15.999400 -0.847600 -1.2521E-01 -1.6206E+01 -8.6580E+00 H1 4667 1.008000 0.423800 8.0152E-01 -1.5993E+01 -8.3482E+00 H2 4668 1.008000 0.423800 -7.1993E-01 -1.6337E+01 -7.8649E+00 O6 4669 15.999400 -0.847600 -1.5506E+01 1.9141E+01 1.0323E+01 H1 4670 1.008000 0.423800 -1.5671E+01 1.8318E+01 1.0866E+01 H2 4671 1.008000 0.423800 -1.4653E+01 1.9038E+01 9.8120E+00 O6 4672 15.999400 -0.847600 -3.0191E+00 -2.4486E+00 -2.9439E+00 H1 4673 1.008000 0.423800 -2.7098E+00 -1.5442E+00 -2.6498E+00 H2 4674 1.008000 0.423800 -2.6572E+00 -2.6445E+00 -3.8553E+00 O6 4675 15.999400 -0.847600 -1.5349E+01 -1.7829E+01 1.2296E+01 H1 4676 1.008000 0.423800 -1.5455E+01 -1.8416E+01 1.1494E+01 H2 4677 1.008000 0.423800 -1.6084E+01 -1.8020E+01 1.2948E+01 O6 4678 15.999400 -0.847600 1.8912E-01 -5.2518E+00 1.3615E+01 H1 4679 1.008000 0.423800 1.1152E+00 -5.3657E+00 1.3974E+01 H2 4680 1.008000 0.423800 -3.7062E-01 -4.7633E+00 1.4284E+01 O6 4681 15.999400 -0.847600 -1.6397E+01 6.0257E+00 5.0882E-01 H1 4682 1.008000 0.423800 -1.6807E+01 6.4236E+00 -3.1225E-01 H2 4683 1.008000 0.423800 -1.7007E+01 5.3251E+00 8.7928E-01 O6 4684 15.999400 -0.847600 -9.9519E+00 8.9601E+00 -2.3555E+00 H1 4685 1.008000 0.423800 -1.0132E+01 9.9409E+00 -2.2811E+00 H2 4686 1.008000 0.423800 -9.4974E+00 8.7700E+00 -3.2257E+00 O6 4687 15.999400 -0.847600 7.5680E+00 -3.5863E+00 -1.4853E+00 H1 4688 1.008000 0.423800 8.5039E+00 -3.5031E+00 -1.1430E+00 H2 4689 1.008000 0.423800 7.0392E+00 -4.1715E+00 -8.7062E-01 O6 4690 15.999400 -0.847600 1.5224E+01 -9.3448E+00 9.3873E+00 H1 4691 1.008000 0.423800 1.5839E+01 -1.0059E+01 9.7209E+00 H2 4692 1.008000 0.423800 1.5490E+01 -9.0816E+00 8.4602E+00 O6 4693 15.999400 -0.847600 4.8653E+00 -4.1528E+00 1.8894E+01 H1 4694 1.008000 0.423800 4.2424E+00 -4.0165E+00 -1.9433E+01 H2 4695 1.008000 0.423800 5.7359E+00 -3.6994E+00 1.9085E+01 O6 4696 15.999400 -0.847600 -1.7781E+01 1.6300E+01 -1.1342E+01 H1 4697 1.008000 0.423800 -1.6867E+01 1.5962E+01 -1.1116E+01 H2 4698 1.008000 0.423800 -1.7943E+01 1.6190E+01 -1.2323E+01 O6 4699 15.999400 -0.847600 -1.3533E+01 -1.0293E+01 -1.6658E+01 H1 4700 1.008000 0.423800 -1.4386E+01 -1.0489E+01 -1.7142E+01 H2 4701 1.008000 0.423800 -1.2852E+01 -1.0989E+01 -1.6888E+01 O6 4702 15.999400 -0.847600 -1.4415E+01 9.9148E+00 -9.1392E+00 H1 4703 1.008000 0.423800 -1.4174E+01 1.0884E+01 -9.1802E+00 H2 4704 1.008000 0.423800 -1.5380E+01 9.8010E+00 -9.3779E+00 O6 4705 15.999400 -0.847600 1.7078E+01 -6.8767E+00 1.8590E+01 H1 4706 1.008000 0.423800 1.6188E+01 -6.6441E+00 1.8982E+01 H2 4707 1.008000 0.423800 1.7316E+01 -7.8154E+00 1.8839E+01 O6 4708 15.999400 -0.847600 -7.7937E+00 1.7586E+01 3.3720E+00 H1 4709 1.008000 0.423800 -8.0192E+00 1.6613E+01 3.3152E+00 H2 4710 1.008000 0.423800 -7.7225E+00 1.7966E+01 2.4498E+00 O6 4711 15.999400 -0.847600 5.8564E+00 1.5521E+01 4.7125E+00 H1 4712 1.008000 0.423800 6.4261E+00 1.5741E+01 3.9206E+00 H2 4713 1.008000 0.423800 6.3230E+00 1.4843E+01 5.2808E+00 O6 4714 15.999400 -0.847600 1.8136E+01 -1.5870E+00 8.7933E+00 H1 4715 1.008000 0.423800 1.7791E+01 -2.2053E+00 8.0870E+00 H2 4716 1.008000 0.423800 1.9025E+01 -1.2243E+00 8.5135E+00 O6 4717 15.999400 -0.847600 -5.3804E-01 1.0930E+01 1.5982E+01 H1 4718 1.008000 0.423800 -9.3385E-01 1.1348E+01 1.6800E+01 H2 4719 1.008000 0.423800 4.3834E-01 1.0771E+01 1.6129E+01 O6 4720 15.999400 -0.847600 1.7565E+01 2.2085E+00 -6.6199E+00 H1 4721 1.008000 0.423800 1.8418E+01 2.1929E+00 -6.0976E+00 H2 4722 1.008000 0.423800 1.7391E+01 1.3002E+00 -6.9996E+00 O6 4723 15.999400 -0.847600 1.4002E+01 -1.9500E+01 1.4657E+01 H1 4724 1.008000 0.423800 1.3761E+01 1.8693E+01 1.4306E+01 H2 4725 1.008000 0.423800 1.4429E+01 -1.8963E+01 1.3929E+01 O6 4726 15.999400 -0.847600 -2.9291E+00 -1.5920E+01 6.2947E+00 H1 4727 1.008000 0.423800 -3.1748E+00 -1.6463E+01 7.0975E+00 H2 4728 1.008000 0.423800 -2.1916E+00 -1.5288E+01 6.5330E+00 O6 4729 15.999400 -0.847600 -7.4626E-01 -8.6235E+00 1.2889E+01 H1 4730 1.008000 0.423800 2.3077E-01 -8.8181E+00 1.2976E+01 H2 4731 1.008000 0.423800 -9.1439E-01 -8.1390E+00 1.2030E+01 O6 4732 15.999400 -0.847600 -1.9378E+01 2.1068E+00 -1.2244E+01 H1 4733 1.008000 0.423800 1.9343E+01 2.8772E+00 -1.1729E+01 H2 4734 1.008000 0.423800 1.9183E+01 1.9688E+00 -1.3077E+01 O6 4735 15.999400 -0.847600 -1.9142E+01 -1.1227E+01 1.7260E+01 H1 4736 1.008000 0.423800 -1.9056E+01 -1.0705E+01 1.6411E+01 H2 4737 1.008000 0.423800 -1.8314E+01 -1.1768E+01 1.7405E+01 O6 4738 15.999400 -0.847600 1.1836E+01 -1.3117E+01 1.3338E+01 H1 4739 1.008000 0.423800 1.2661E+01 -1.3510E+01 1.3744E+01 H2 4740 1.008000 0.423800 1.2062E+01 -1.2707E+01 1.2454E+01 O6 4741 15.999400 -0.847600 1.3134E+01 1.4115E+01 -5.6006E+00 H1 4742 1.008000 0.423800 1.3669E+01 1.4278E+01 -4.7712E+00 H2 4743 1.008000 0.423800 1.3630E+01 1.4473E+01 -6.3920E+00 O6 4744 15.999400 -0.847600 1.7979E+01 -1.0274E+01 2.3274E+00 H1 4745 1.008000 0.423800 1.7382E+01 -1.1076E+01 2.2912E+00 H2 4746 1.008000 0.423800 1.8669E+01 -1.0339E+01 1.6066E+00 O6 4747 15.999400 -0.847600 6.3742E+00 1.1092E+01 6.3957E+00 H1 4748 1.008000 0.423800 5.8223E+00 1.0305E+01 6.1198E+00 H2 4749 1.008000 0.423800 7.2526E+00 1.0774E+01 6.7529E+00 O6 4750 15.999400 -0.847600 1.1015E+01 -1.3818E+01 -7.4365E+00 H1 4751 1.008000 0.423800 1.1944E+01 -1.3690E+01 -7.7841E+00 H2 4752 1.008000 0.423800 1.1052E+01 -1.4051E+01 -6.4650E+00 O6 4753 15.999400 -0.847600 1.4924E+01 -1.8873E+01 1.1753E+01 H1 4754 1.008000 0.423800 1.5679E+01 -1.9453E+01 1.1448E+01 H2 4755 1.008000 0.423800 1.5036E+01 -1.7954E+01 1.1375E+01 O6 4756 15.999400 -0.847600 -9.6501E+00 3.5600E+00 5.4145E+00 H1 4757 1.008000 0.423800 -9.8377E+00 3.9275E+00 4.5036E+00 H2 4758 1.008000 0.423800 -8.6785E+00 3.6693E+00 5.6244E+00 O6 4759 15.999400 -0.847600 2.7576E+00 1.8899E+01 3.3207E+00 H1 4760 1.008000 0.423800 2.0293E+00 1.9493E+01 3.6621E+00 H2 4761 1.008000 0.423800 2.7027E+00 1.8844E+01 2.3237E+00 O6 4762 15.999400 -0.847600 1.3631E+01 -1.5946E+01 8.9559E+00 H1 4763 1.008000 0.423800 1.3562E+01 -1.5130E+01 8.3821E+00 H2 4764 1.008000 0.423800 1.3396E+01 -1.6754E+01 8.4157E+00 O6 4765 15.999400 -0.847600 -8.6470E+00 -6.7896E+00 -8.9387E+00 H1 4766 1.008000 0.423800 -8.8979E+00 -5.8671E+00 -9.2319E+00 H2 4767 1.008000 0.423800 -8.8236E+00 -7.4351E+00 -9.6817E+00 O6 4768 15.999400 -0.847600 9.4467E+00 5.2676E+00 -2.8745E+00 H1 4769 1.008000 0.423800 9.7756E+00 6.1299E+00 -3.2595E+00 H2 4770 1.008000 0.423800 1.0227E+01 4.7137E+00 -2.5832E+00 O6 4771 15.999400 -0.847600 1.3380E+01 1.4476E+01 1.0193E+01 H1 4772 1.008000 0.423800 1.3198E+01 1.3716E+01 1.0817E+01 H2 4773 1.008000 0.423800 1.2621E+01 1.5125E+01 1.0229E+01 O6 4774 15.999400 -0.847600 1.9352E+01 1.3670E+01 -9.9774E-01 H1 4775 1.008000 0.423800 -1.9230E+01 1.3528E+01 -1.8428E+00 H2 4776 1.008000 0.423800 1.8376E+01 1.3727E+01 -1.2085E+00 O6 4777 15.999400 -0.847600 3.9276E+00 -5.7211E+00 1.1543E+01 H1 4778 1.008000 0.423800 4.7748E+00 -5.3786E+00 1.1137E+01 H2 4779 1.008000 0.423800 4.1024E+00 -6.5996E+00 1.1988E+01 O6 4780 15.999400 -0.847600 -1.5047E+01 9.2628E+00 3.4473E+00 H1 4781 1.008000 0.423800 -1.5031E+01 8.4273E+00 2.8981E+00 H2 4782 1.008000 0.423800 -1.5995E+01 9.5306E+00 3.6192E+00 O6 4783 15.999400 -0.847600 1.4899E+01 4.6361E+00 3.6172E+00 H1 4784 1.008000 0.423800 1.5822E+01 4.3903E+00 3.9153E+00 H2 4785 1.008000 0.423800 1.4923E+01 5.5246E+00 3.1590E+00 O6 4786 15.999400 -0.847600 -3.1852E+00 -1.7801E+01 -1.1257E+01 H1 4787 1.008000 0.423800 -3.6027E+00 -1.7797E+01 -1.2166E+01 H2 4788 1.008000 0.423800 -3.8809E+00 -1.7593E+01 -1.0570E+01 O6 4789 15.999400 -0.847600 -1.9004E+01 -1.8479E+01 4.5848E+00 H1 4790 1.008000 0.423800 -1.8807E+01 -1.8500E+01 3.6046E+00 H2 4791 1.008000 0.423800 -1.8963E+01 -1.9408E+01 4.9527E+00 O6 4792 15.999400 -0.847600 1.3229E+01 3.2387E+00 -1.1223E+01 H1 4793 1.008000 0.423800 1.3157E+01 3.1223E+00 -1.0232E+01 H2 4794 1.008000 0.423800 1.2967E+01 4.1720E+00 -1.1469E+01 O6 4795 15.999400 -0.847600 9.7196E+00 -4.7707E+00 -1.5879E+01 H1 4796 1.008000 0.423800 9.5633E+00 -5.4919E+00 -1.5204E+01 H2 4797 1.008000 0.423800 9.8745E+00 -3.9020E+00 -1.5409E+01 O6 4798 15.999400 -0.847600 5.9930E+00 -1.2891E+01 -3.1037E+00 H1 4799 1.008000 0.423800 6.5549E+00 -1.3224E+01 -3.8609E+00 H2 4800 1.008000 0.423800 6.0324E+00 -1.1892E+01 -3.0737E+00 O6 4801 15.999400 -0.847600 1.2420E+01 -1.8644E+01 -1.1225E+01 H1 4802 1.008000 0.423800 1.2721E+01 -1.8568E+01 -1.0275E+01 H2 4803 1.008000 0.423800 1.2877E+01 -1.9422E+01 -1.1657E+01 O6 4804 15.999400 -0.847600 -1.1308E+01 1.9121E+01 -6.7107E+00 H1 4805 1.008000 0.423800 -1.1801E+01 1.8405E+01 -7.2043E+00 H2 4806 1.008000 0.423800 -1.1227E+01 -1.9167E+01 -7.2920E+00 O6 4807 15.999400 -0.847600 3.8144E+00 4.6654E+00 -7.8197E+00 H1 4808 1.008000 0.423800 4.5081E+00 4.2538E+00 -8.4108E+00 H2 4809 1.008000 0.423800 3.1967E+00 3.9537E+00 -7.4852E+00 O6 4810 15.999400 -0.847600 -1.4329E+01 -1.2109E+01 1.4958E-01 H1 4811 1.008000 0.423800 -1.4332E+01 -1.1845E+01 1.1142E+00 H2 4812 1.008000 0.423800 -1.3467E+01 -1.1827E+01 -2.7089E-01 O6 4813 15.999400 -0.847600 -1.0853E+01 9.0917E+00 -1.7696E+01 H1 4814 1.008000 0.423800 -1.1041E+01 8.1144E+00 -1.7795E+01 H2 4815 1.008000 0.423800 -1.0244E+01 9.2369E+00 -1.6916E+01 O6 4816 15.999400 -0.847600 -1.7463E+01 1.1522E+01 -1.1507E+01 H1 4817 1.008000 0.423800 -1.7560E+01 1.1854E+01 -1.2445E+01 H2 4818 1.008000 0.423800 -1.6904E+01 1.2164E+01 -1.0983E+01 O6 4819 15.999400 -0.847600 1.7312E+01 -1.5835E+01 1.7895E+01 H1 4820 1.008000 0.423800 1.7564E+01 -1.6309E+01 1.7051E+01 H2 4821 1.008000 0.423800 1.8107E+01 -1.5785E+01 1.8499E+01 O6 4822 15.999400 -0.847600 1.3540E+01 1.6627E+01 1.3745E+01 H1 4823 1.008000 0.423800 1.2884E+01 1.6377E+01 1.3033E+01 H2 4824 1.008000 0.423800 1.3636E+01 1.5871E+01 1.4392E+01 O6 4825 15.999400 -0.847600 -3.4580E+00 -1.5370E+01 -2.8014E+00 H1 4826 1.008000 0.423800 -4.2478E+00 -1.5583E+01 -3.3768E+00 H2 4827 1.008000 0.423800 -3.6594E+00 -1.4566E+01 -2.2430E+00 O6 4828 15.999400 -0.847600 -7.4809E+00 -2.2439E+00 -1.0158E+01 H1 4829 1.008000 0.423800 -7.1462E+00 -2.7971E+00 -1.0921E+01 H2 4830 1.008000 0.423800 -8.3782E+00 -1.8673E+00 -1.0388E+01 O6 4831 15.999400 -0.847600 6.2272E+00 -4.4986E-01 -4.7111E+00 H1 4832 1.008000 0.423800 7.0494E+00 -8.8590E-01 -5.0771E+00 H2 4833 1.008000 0.423800 6.4616E+00 4.5210E-01 -4.3485E+00 O6 4834 15.999400 -0.847600 9.3292E+00 5.9296E+00 1.3352E+00 H1 4835 1.008000 0.423800 9.7537E+00 5.0573E+00 1.5782E+00 H2 4836 1.008000 0.423800 1.0031E+01 6.5618E+00 1.0071E+00 O6 4837 15.999400 -0.847600 1.2008E+01 -1.5586E+00 2.7789E+00 H1 4838 1.008000 0.423800 1.1772E+01 -1.2445E+00 1.8594E+00 H2 4839 1.008000 0.423800 1.2154E+01 -7.6820E-01 3.3738E+00 O6 4840 15.999400 -0.847600 -4.4579E+00 -4.2095E+00 -1.0757E+01 H1 4841 1.008000 0.423800 -3.7046E+00 -4.0320E+00 -1.0124E+01 H2 4842 1.008000 0.423800 -4.8469E+00 -5.1111E+00 -1.0568E+01 O6 4843 15.999400 -0.847600 -1.1019E+01 1.0299E+01 -1.1038E+01 H1 4844 1.008000 0.423800 -1.0383E+01 1.0087E+01 -1.0296E+01 H2 4845 1.008000 0.423800 -1.1499E+01 1.1151E+01 -1.0831E+01 O6 4846 15.999400 -0.847600 1.2452E-01 1.5218E+01 -1.2519E+01 H1 4847 1.008000 0.423800 4.3426E-01 1.6150E+01 -1.2708E+01 H2 4848 1.008000 0.423800 3.6644E-01 1.4970E+01 -1.1581E+01 O6 4849 15.999400 -0.847600 6.4306E+00 -1.6984E+01 -1.9426E+00 H1 4850 1.008000 0.423800 7.2629E+00 -1.6728E+01 -2.4343E+00 H2 4851 1.008000 0.423800 5.8044E+00 -1.6205E+01 -1.9189E+00 O6 4852 15.999400 -0.847600 -1.0707E+00 -1.3614E+01 1.2714E+01 H1 4853 1.008000 0.423800 -1.1073E+00 -1.4338E+01 1.2025E+01 H2 4854 1.008000 0.423800 -1.0529E+00 -1.4024E+01 1.3626E+01 O6 4855 15.999400 -0.847600 -1.3865E+01 -2.5077E+00 -1.2423E+01 H1 4856 1.008000 0.423800 -1.4422E+01 -3.2456E+00 -1.2803E+01 H2 4857 1.008000 0.423800 -1.3447E+01 -1.9872E+00 -1.3167E+01 O6 4858 15.999400 -0.847600 5.8813E+00 1.9089E+01 -1.4133E+01 H1 4859 1.008000 0.423800 6.4473E+00 1.8496E+01 -1.3560E+01 H2 4860 1.008000 0.423800 6.4516E+00 -1.9295E+01 -1.4540E+01 O6 4861 15.999400 -0.847600 -1.9208E+01 -7.4801E+00 1.8924E+00 H1 4862 1.008000 0.423800 -1.9281E+01 -8.1990E+00 2.5838E+00 H2 4863 1.008000 0.423800 1.9086E+01 -7.5077E+00 1.2978E+00 O6 4864 15.999400 -0.847600 1.1721E+01 -4.3110E+00 -5.4900E+00 H1 4865 1.008000 0.423800 1.2057E+01 -3.8998E+00 -6.3374E+00 H2 4866 1.008000 0.423800 1.2201E+01 -5.1725E+00 -5.3245E+00 O6 4867 15.999400 -0.847600 4.3582E+00 -8.2079E+00 9.0758E-01 H1 4868 1.008000 0.423800 3.9707E+00 -7.4682E+00 1.4578E+00 H2 4869 1.008000 0.423800 4.6310E+00 -8.9609E+00 1.5064E+00 O6 4870 15.999400 -0.847600 -1.2071E+01 -9.7807E+00 1.4996E+01 H1 4871 1.008000 0.423800 -1.2701E+01 -1.0163E+01 1.5671E+01 H2 4872 1.008000 0.423800 -1.2359E+01 -1.0054E+01 1.4078E+01 O6 4873 15.999400 -0.847600 1.9398E+01 -1.9478E+01 1.2121E+01 H1 4874 1.008000 0.423800 1.8749E+01 -1.8745E+01 1.1914E+01 H2 4875 1.008000 0.423800 -1.9109E+01 1.9463E+01 1.1330E+01 O6 4876 15.999400 -0.847600 -2.5849E+00 1.8589E+01 -1.6296E+01 H1 4877 1.008000 0.423800 -1.8846E+00 1.8621E+01 -1.7009E+01 H2 4878 1.008000 0.423800 -3.4100E+00 1.8155E+01 -1.6659E+01 O6 4879 15.999400 -0.847600 1.8610E+01 1.5939E+00 -1.4703E+01 H1 4880 1.008000 0.423800 1.7731E+01 2.0335E+00 -1.4891E+01 H2 4881 1.008000 0.423800 1.8857E+01 1.0032E+00 -1.5471E+01 O6 4882 15.999400 -0.847600 7.5529E+00 5.5348E+00 -5.3558E+00 H1 4883 1.008000 0.423800 7.6569E+00 4.6663E+00 -4.8712E+00 H2 4884 1.008000 0.423800 7.1706E+00 5.3658E+00 -6.2643E+00 O6 4885 15.999400 -0.847600 -4.1114E+00 -1.2260E+01 1.5071E+01 H1 4886 1.008000 0.423800 -4.6937E+00 -1.1802E+01 1.5742E+01 H2 4887 1.008000 0.423800 -4.6496E+00 -1.2478E+01 1.4256E+01 O6 4888 15.999400 -0.847600 1.0117E+01 -8.7628E+00 -6.5703E+00 H1 4889 1.008000 0.423800 1.0050E+01 -7.8615E+00 -6.9984E+00 H2 4890 1.008000 0.423800 1.0350E+01 -8.6562E+00 -5.6037E+00 O6 4891 15.999400 -0.847600 -1.2558E+01 -1.1053E+00 -3.2516E-01 H1 4892 1.008000 0.423800 -1.2289E+01 -1.2359E+00 -1.2793E+00 H2 4893 1.008000 0.423800 -1.1821E+01 -1.4146E+00 2.7473E-01 O6 4894 15.999400 -0.847600 1.2025E+01 -1.1195E+00 -5.5757E+00 H1 4895 1.008000 0.423800 1.2980E+01 -8.8693E-01 -5.7623E+00 H2 4896 1.008000 0.423800 1.1973E+01 -1.6687E+00 -4.7416E+00 O6 4897 15.999400 -0.847600 -8.9700E+00 1.6693E+01 -3.7259E+00 H1 4898 1.008000 0.423800 -8.5936E+00 1.6237E+01 -4.5324E+00 H2 4899 1.008000 0.423800 -9.4219E+00 1.7541E+01 -4.0029E+00 O6 4900 15.999400 -0.847600 -1.5403E+01 1.5123E+01 1.9282E+01 H1 4901 1.008000 0.423800 -1.5361E+01 1.4173E+01 1.8973E+01 H2 4902 1.008000 0.423800 -1.4567E+01 1.5599E+01 1.9010E+01 O6 4903 15.999400 -0.847600 7.1733E-01 -1.6391E+01 -1.7584E+01 H1 4904 1.008000 0.423800 5.7532E-01 -1.6781E+01 -1.8494E+01 H2 4905 1.008000 0.423800 1.1122E+00 -1.7085E+01 -1.6982E+01 O6 4906 15.999400 -0.847600 -4.6890E+00 -1.5534E+01 -6.4279E+00 H1 4907 1.008000 0.423800 -4.8496E+00 -1.5996E+01 -5.5554E+00 H2 4908 1.008000 0.423800 -4.6299E+00 -1.4547E+01 -6.2769E+00 O6 4909 15.999400 -0.847600 -3.0051E+00 -4.2716E+00 1.8701E+01 H1 4910 1.008000 0.423800 -3.9940E+00 -4.2482E+00 1.8848E+01 H2 4911 1.008000 0.423800 -2.6842E+00 -5.2177E+00 1.8744E+01 O6 4912 15.999400 -0.847600 1.6241E+01 -5.2230E+00 -1.8912E+00 H1 4913 1.008000 0.423800 1.5710E+01 -4.9389E+00 -1.0931E+00 H2 4914 1.008000 0.423800 1.5937E+01 -4.7097E+00 -2.6939E+00 O6 4915 15.999400 -0.847600 9.6228E-01 2.3569E+00 -9.9666E+00 H1 4916 1.008000 0.423800 7.7750E-01 3.1188E+00 -9.3458E+00 H2 4917 1.008000 0.423800 1.8811E+00 2.0019E+00 -9.7942E+00 O6 4918 15.999400 -0.847600 -2.1716E+00 -6.9799E+00 1.8970E+01 H1 4919 1.008000 0.423800 -1.4642E+00 -7.5021E+00 1.9447E+01 H2 4920 1.008000 0.423800 -2.5375E+00 -7.5254E+00 1.8216E+01 O6 4921 15.999400 -0.847600 -1.9191E+01 -1.4036E+01 1.6209E+01 H1 4922 1.008000 0.423800 -1.9059E+01 -1.4398E+01 1.7132E+01 H2 4923 1.008000 0.423800 -1.8605E+01 -1.4534E+01 1.5569E+01 O6 4924 15.999400 -0.847600 1.8151E+01 -1.6906E+01 3.1694E+00 H1 4925 1.008000 0.423800 1.8369E+01 -1.7707E+01 2.6131E+00 H2 4926 1.008000 0.423800 1.8783E+01 -1.6854E+01 3.9426E+00 O6 4927 15.999400 -0.847600 -4.4874E+00 -2.8383E+00 1.5928E+01 H1 4928 1.008000 0.423800 -4.6802E+00 -3.7859E+00 1.6183E+01 H2 4929 1.008000 0.423800 -4.1198E+00 -2.8116E+00 1.4999E+01 O6 4930 15.999400 -0.847600 1.3212E+01 6.0104E+00 1.2273E+01 H1 4931 1.008000 0.423800 1.3972E+01 6.3906E+00 1.1746E+01 H2 4932 1.008000 0.423800 1.3047E+01 6.5794E+00 1.3079E+01 O6 4933 15.999400 -0.847600 -1.2328E+01 -1.6929E+01 8.7924E+00 H1 4934 1.008000 0.423800 -1.2274E+01 -1.6978E+01 9.7897E+00 H2 4935 1.008000 0.423800 -1.1535E+01 -1.6432E+01 8.4397E+00 O6 4936 15.999400 -0.847600 -8.8687E+00 -1.0184E+01 1.1070E+01 H1 4937 1.008000 0.423800 -8.1457E+00 -1.0851E+01 1.1251E+01 H2 4938 1.008000 0.423800 -9.7603E+00 -1.0608E+01 1.1229E+01 O6 4939 15.999400 -0.847600 7.9673E+00 3.1576E+00 -1.3922E+01 H1 4940 1.008000 0.423800 7.3361E+00 2.5598E+00 -1.4416E+01 H2 4941 1.008000 0.423800 7.4483E+00 3.7716E+00 -1.3328E+01 O6 4942 15.999400 -0.847600 1.0159E+01 -8.7898E+00 1.5324E+01 H1 4943 1.008000 0.423800 9.2832E+00 -8.3456E+00 1.5515E+01 H2 4944 1.008000 0.423800 1.0899E+01 -8.1264E+00 1.5431E+01 O6 4945 15.999400 -0.847600 9.4350E+00 -1.2269E+01 1.3308E+01 H1 4946 1.008000 0.423800 8.8190E+00 -1.2753E+01 1.2687E+01 H2 4947 1.008000 0.423800 1.0307E+01 -1.2755E+01 1.3359E+01 O6 4948 15.999400 -0.847600 8.3214E-01 3.3082E+00 3.7656E+00 H1 4949 1.008000 0.423800 9.6126E-02 3.9607E+00 3.9459E+00 H2 4950 1.008000 0.423800 4.6674E-01 2.5238E+00 3.2644E+00 O6 4951 15.999400 -0.847600 1.6940E+01 -1.0587E+01 -1.1622E+01 H1 4952 1.008000 0.423800 1.7123E+01 -1.0375E+01 -1.2583E+01 H2 4953 1.008000 0.423800 1.7779E+01 -1.0918E+01 -1.1189E+01 O6 4954 15.999400 -0.847600 -9.2806E+00 -8.2820E+00 -1.8812E+00 H1 4955 1.008000 0.423800 -9.6183E+00 -8.5634E+00 -2.7794E+00 H2 4956 1.008000 0.423800 -8.5935E+00 -7.5641E+00 -1.9935E+00 O6 4957 15.999400 -0.847600 9.4804E+00 1.8833E+01 -1.8647E+01 H1 4958 1.008000 0.423800 8.5092E+00 1.8804E+01 -1.8884E+01 H2 4959 1.008000 0.423800 9.9102E+00 1.7965E+01 -1.8896E+01 O6 4960 15.999400 -0.847600 1.0728E+01 2.7702E+00 6.7986E+00 H1 4961 1.008000 0.423800 1.0056E+01 3.1117E+00 7.4560E+00 H2 4962 1.008000 0.423800 1.1642E+01 3.0667E+00 7.0725E+00 O6 4963 15.999400 -0.847600 1.9035E-02 -1.8531E+01 -1.3096E+00 H1 4964 1.008000 0.423800 -8.7541E-01 -1.8666E+01 -8.8317E-01 H2 4965 1.008000 0.423800 1.9138E-01 -1.9268E+01 -1.9629E+00 O6 4966 15.999400 -0.847600 7.8914E+00 -1.0970E+01 -8.9266E+00 H1 4967 1.008000 0.423800 7.1547E+00 -1.1307E+01 -8.3403E+00 H2 4968 1.008000 0.423800 8.3890E+00 -1.0244E+01 -8.4521E+00 O6 4969 15.999400 -0.847600 9.4258E+00 -1.4473E+01 1.9309E+01 H1 4970 1.008000 0.423800 8.9769E+00 -1.4683E+01 -1.8920E+01 H2 4971 1.008000 0.423800 1.0187E+01 -1.5106E+01 1.9166E+01 O6 4972 15.999400 -0.847600 7.6939E+00 1.8070E+01 -4.1590E+00 H1 4973 1.008000 0.423800 8.4029E+00 1.8301E+01 -3.4926E+00 H2 4974 1.008000 0.423800 7.0782E+00 1.8850E+01 -4.2737E+00 O6 4975 15.999400 -0.847600 -3.1004E+00 -7.5632E+00 -1.2945E+01 H1 4976 1.008000 0.423800 -3.4299E+00 -7.8690E+00 -1.3838E+01 H2 4977 1.008000 0.423800 -2.2885E+00 -6.9922E+00 -1.3067E+01 O6 4978 15.999400 -0.847600 -5.6089E+00 -3.9112E+00 1.9525E+01 H1 4979 1.008000 0.423800 -5.7500E+00 -3.0962E+00 -1.9010E+01 H2 4980 1.008000 0.423800 -6.0534E+00 -3.7853E+00 1.8638E+01 O6 4981 15.999400 -0.847600 -1.5373E+01 6.1623E+00 1.0266E+01 H1 4982 1.008000 0.423800 -1.5662E+01 5.2508E+00 9.9730E+00 H2 4983 1.008000 0.423800 -1.4374E+01 6.2136E+00 1.0260E+01 O6 4984 15.999400 -0.847600 1.9532E+01 -3.4013E+00 1.2820E+01 H1 4985 1.008000 0.423800 -1.8571E+01 -3.4904E+00 1.2783E+01 H2 4986 1.008000 0.423800 1.9222E+01 -2.8130E+00 1.2072E+01 O6 4987 15.999400 -0.847600 -1.9824E+00 6.0407E+00 -1.0760E+01 H1 4988 1.008000 0.423800 -2.4164E+00 6.9293E+00 -1.0612E+01 H2 4989 1.008000 0.423800 -2.2670E+00 5.6749E+00 -1.1646E+01 O6 4990 15.999400 -0.847600 -2.0212E+00 -1.5554E+01 2.3634E+00 H1 4991 1.008000 0.423800 -2.9614E+00 -1.5892E+01 2.3184E+00 H2 4992 1.008000 0.423800 -1.6251E+00 -1.5788E+01 3.2512E+00 O6 4993 15.999400 -0.847600 -5.8316E+00 -4.1687E+00 6.5738E+00 H1 4994 1.008000 0.423800 -6.2466E+00 -3.5302E+00 5.9257E+00 H2 4995 1.008000 0.423800 -5.2338E+00 -3.6673E+00 7.1992E+00 O6 4996 15.999400 -0.847600 -6.8232E+00 -9.3991E+00 2.1663E+00 H1 4997 1.008000 0.423800 -6.3388E+00 -8.7067E+00 1.6315E+00 H2 4998 1.008000 0.423800 -6.5280E+00 -1.0310E+01 1.8776E+00 O6 4999 15.999400 -0.847600 -7.3767E+00 1.8981E+01 -1.8884E+01 H1 5000 1.008000 0.423800 -8.3417E+00 1.9179E+01 -1.9055E+01 H2 5001 1.008000 0.423800 -7.1007E+00 1.9391E+01 -1.8015E+01 O6 5002 15.999400 -0.847600 2.1568E+00 -1.9289E+01 1.8143E+01 H1 5003 1.008000 0.423800 1.5486E+00 -1.8503E+01 1.8254E+01 H2 5004 1.008000 0.423800 1.6180E+00 1.8966E+01 1.8153E+01 O6 5005 15.999400 -0.847600 -1.7078E+01 -1.1741E+01 1.6303E+00 H1 5006 1.008000 0.423800 -1.6486E+01 -1.2523E+01 1.4322E+00 H2 5007 1.008000 0.423800 -1.6566E+01 -1.0893E+01 1.4966E+00 O6 5008 15.999400 -0.847600 7.5131E+00 -1.5071E+01 3.6965E+00 H1 5009 1.008000 0.423800 6.5959E+00 -1.5463E+01 3.6277E+00 H2 5010 1.008000 0.423800 7.5247E+00 -1.4172E+01 3.2586E+00 O6 5011 15.999400 -0.847600 1.5747E+01 1.2874E+01 -6.1286E+00 H1 5012 1.008000 0.423800 1.4832E+01 1.2745E+01 -5.7461E+00 H2 5013 1.008000 0.423800 1.5672E+01 1.3153E+01 -7.0859E+00 O6 5014 15.999400 -0.847600 -1.4898E+01 9.5250E+00 -1.3101E+01 H1 5015 1.008000 0.423800 -1.5157E+01 1.0045E+01 -1.2287E+01 H2 5016 1.008000 0.423800 -1.4370E+01 8.7207E+00 -1.2829E+01 O6 5017 15.999400 -0.847600 6.7684E+00 -5.5547E-01 -1.6144E+00 H1 5018 1.008000 0.423800 6.8794E+00 -1.5430E+00 -1.5025E+00 H2 5019 1.008000 0.423800 5.8180E+00 -3.0410E-01 -1.4312E+00 O6 5020 15.999400 -0.847600 -8.3349E+00 5.0852E-01 6.6930E+00 H1 5021 1.008000 0.423800 -8.3414E+00 5.0356E-01 5.6930E+00 H2 5022 1.008000 0.423800 -8.1592E+00 -4.1655E-01 7.0297E+00 O6 5023 15.999400 -0.847600 8.0864E+00 -8.0170E+00 -1.7605E+01 H1 5024 1.008000 0.423800 8.6392E+00 -8.3684E+00 -1.6849E+01 H2 5025 1.008000 0.423800 8.5537E+00 -8.1954E+00 -1.8471E+01 O6 5026 15.999400 -0.847600 3.6085E+00 -1.1316E+01 -1.2268E+01 H1 5027 1.008000 0.423800 4.2075E+00 -1.1237E+01 -1.1471E+01 H2 5028 1.008000 0.423800 2.8793E+00 -1.1972E+01 -1.2073E+01 O6 5029 15.999400 -0.847600 -8.7155E+00 6.1547E-01 3.6757E+00 H1 5030 1.008000 0.423800 -9.4324E+00 -6.3402E-02 3.8343E+00 H2 5031 1.008000 0.423800 -8.9902E+00 1.2223E+00 2.9299E+00 O6 5032 15.999400 -0.847600 -1.7609E+01 1.3764E+01 1.6224E+01 H1 5033 1.008000 0.423800 -1.7012E+01 1.3555E+01 1.6998E+01 H2 5034 1.008000 0.423800 -1.7502E+01 1.3061E+01 1.5521E+01 O6 5035 15.999400 -0.847600 1.5961E+00 -1.4265E+01 1.6078E+00 H1 5036 1.008000 0.423800 2.0996E+00 -1.3632E+01 1.0205E+00 H2 5037 1.008000 0.423800 7.7588E-01 -1.4581E+01 1.1311E+00 O6 5038 15.999400 -0.847600 1.6979E+01 -1.5490E+01 6.3203E+00 H1 5039 1.008000 0.423800 1.7938E+01 -1.5205E+01 6.3085E+00 H2 5040 1.008000 0.423800 1.6920E+01 -1.6452E+01 6.5868E+00 O6 5041 15.999400 -0.847600 -1.0460E+01 1.0367E+01 -5.3800E+00 H1 5042 1.008000 0.423800 -1.1094E+01 9.9395E+00 -4.7356E+00 H2 5043 1.008000 0.423800 -1.0252E+01 1.1296E+01 -5.0756E+00 O6 5044 15.999400 -0.847600 8.0759E+00 1.9012E+01 1.2232E+01 H1 5045 1.008000 0.423800 7.7590E+00 1.8219E+01 1.2752E+01 H2 5046 1.008000 0.423800 7.9459E+00 1.8844E+01 1.1254E+01 O6 5047 15.999400 -0.847600 1.1364E+01 -9.6351E+00 -1.1751E+01 H1 5048 1.008000 0.423800 1.0378E+01 -9.7382E+00 -1.1623E+01 H2 5049 1.008000 0.423800 1.1832E+01 -9.8108E+00 -1.0885E+01 O6 5050 15.999400 -0.847600 -5.6192E-02 -6.8733E-01 1.6193E+01 H1 5051 1.008000 0.423800 -5.4700E-01 -1.2843E+00 1.6828E+01 H2 5052 1.008000 0.423800 7.6259E-01 -1.1555E+00 1.5861E+01 O6 5053 15.999400 -0.847600 -8.8626E+00 -5.6086E+00 3.1959E+00 H1 5054 1.008000 0.423800 -8.3144E+00 -4.7726E+00 3.1670E+00 H2 5055 1.008000 0.423800 -8.8058E+00 -6.0750E+00 2.3131E+00 O6 5056 15.999400 -0.847600 -1.3463E+01 1.1697E+01 -5.4136E+00 H1 5057 1.008000 0.423800 -1.2826E+01 1.2401E+01 -5.0995E+00 H2 5058 1.008000 0.423800 -1.3798E+01 1.1934E+01 -6.3253E+00 O6 5059 15.999400 -0.847600 4.6971E+00 1.4874E+01 -7.5496E+00 H1 5060 1.008000 0.423800 4.9659E+00 1.4316E+01 -6.7642E+00 H2 5061 1.008000 0.423800 4.7468E+00 1.5842E+01 -7.3036E+00 O6 5062 15.999400 -0.847600 9.0338E+00 -9.4849E+00 1.2395E+01 H1 5063 1.008000 0.423800 9.4206E+00 -8.9826E+00 1.3169E+01 H2 5064 1.008000 0.423800 9.0181E+00 -1.0462E+01 1.2607E+01 O6 5065 15.999400 -0.847600 8.9034E+00 1.0332E+01 6.7061E+00 H1 5066 1.008000 0.423800 8.9605E+00 9.5485E+00 6.0876E+00 H2 5067 1.008000 0.423800 9.7282E+00 1.0890E+01 6.6139E+00 O6 5068 15.999400 -0.847600 -6.7045E+00 -1.8371E+01 1.1676E+01 H1 5069 1.008000 0.423800 -7.2720E+00 -1.8446E+01 1.0856E+01 H2 5070 1.008000 0.423800 -5.9589E+00 -1.7727E+01 1.1507E+01 O6 5071 15.999400 -0.847600 1.7580E+01 1.0961E+01 5.0290E+00 H1 5072 1.008000 0.423800 1.8055E+01 1.1834E+01 5.1399E+00 H2 5073 1.008000 0.423800 1.6904E+01 1.1039E+01 4.2967E+00 O6 5074 15.999400 -0.847600 1.8129E+01 -1.7082E+01 1.5380E+01 H1 5075 1.008000 0.423800 1.8091E+01 -1.8048E+01 1.5125E+01 H2 5076 1.008000 0.423800 1.8079E+01 -1.6518E+01 1.4556E+01 O6 5077 15.999400 -0.847600 5.4818E+00 -1.4327E+01 1.8381E+01 H1 5078 1.008000 0.423800 6.3181E+00 -1.3990E+01 1.7948E+01 H2 5079 1.008000 0.423800 5.5870E+00 -1.5297E+01 1.8601E+01 O6 5080 15.999400 -0.847600 -8.7852E+00 -9.7489E+00 8.2009E+00 H1 5081 1.008000 0.423800 -8.8036E+00 -9.9726E+00 9.1754E+00 H2 5082 1.008000 0.423800 -9.7000E+00 -9.8666E+00 7.8146E+00 O6 5083 15.999400 -0.847600 1.8443E+01 4.7409E+00 -1.7282E+01 H1 5084 1.008000 0.423800 1.8269E+01 4.9468E+00 -1.8245E+01 H2 5085 1.008000 0.423800 1.9162E+01 5.3450E+00 -1.6937E+01 O6 5086 15.999400 -0.847600 -1.1611E+01 -1.3588E+01 -1.8374E+01 H1 5087 1.008000 0.423800 -1.1459E+01 -1.2601E+01 -1.8418E+01 H2 5088 1.008000 0.423800 -1.2571E+01 -1.3786E+01 -1.8572E+01 O6 5089 15.999400 -0.847600 -8.8989E+00 -5.9909E+00 -1.7718E+01 H1 5090 1.008000 0.423800 -7.9136E+00 -5.8698E+00 -1.7838E+01 H2 5091 1.008000 0.423800 -9.3105E+00 -5.1218E+00 -1.7443E+01 O6 5092 15.999400 -0.847600 -1.3212E+01 -1.4176E+01 1.0076E+01 H1 5093 1.008000 0.423800 -1.2957E+01 -1.3506E+01 1.0773E+01 H2 5094 1.008000 0.423800 -1.2501E+01 -1.4213E+01 9.3735E+00 O6 5095 15.999400 -0.847600 -7.5873E-01 -8.2045E+00 -1.5512E+01 H1 5096 1.008000 0.423800 -1.5560E+00 -8.7771E+00 -1.5703E+01 H2 5097 1.008000 0.423800 -7.9840E-01 -7.3792E+00 -1.6075E+01 O6 5098 15.999400 -0.847600 7.8356E+00 1.5131E+01 -1.0472E+01 H1 5099 1.008000 0.423800 8.7603E+00 1.4899E+01 -1.0773E+01 H2 5100 1.008000 0.423800 7.1914E+00 1.4973E+01 -1.1220E+01 O6 5101 15.999400 -0.847600 9.1557E+00 -3.9893E+00 -6.2452E+00 H1 5102 1.008000 0.423800 9.9838E+00 -4.1642E+00 -5.7126E+00 H2 5103 1.008000 0.423800 9.2123E+00 -3.0816E+00 -6.6608E+00 O6 5104 15.999400 -0.847600 5.1957E+00 1.1736E+01 1.8912E+01 H1 5105 1.008000 0.423800 5.3708E+00 1.2151E+01 -1.9293E+01 H2 5106 1.008000 0.423800 6.0121E+00 1.1246E+01 1.8606E+01 O6 5107 15.999400 -0.847600 -8.4124E-01 7.3277E+00 -1.7050E+01 H1 5108 1.008000 0.423800 -1.0930E-01 7.1167E+00 -1.7698E+01 H2 5109 1.008000 0.423800 -1.4555E+00 8.0073E+00 -1.7451E+01 O6 5110 15.999400 -0.847600 -1.1687E+01 1.3348E+01 -4.4293E+00 H1 5111 1.008000 0.423800 -1.0763E+01 1.3005E+01 -4.2618E+00 H2 5112 1.008000 0.423800 -1.2083E+01 1.3675E+01 -3.5705E+00 O6 5113 15.999400 -0.847600 1.2188E+01 1.7426E+01 -8.0861E+00 H1 5114 1.008000 0.423800 1.1246E+01 1.7441E+01 -7.7512E+00 H2 5115 1.008000 0.423800 1.2814E+01 1.7611E+01 -7.3284E+00 O6 5116 15.999400 -0.847600 1.5295E+01 1.7642E+01 2.3804E+00 H1 5117 1.008000 0.423800 1.4436E+01 1.7734E+01 2.8850E+00 H2 5118 1.008000 0.423800 1.5468E+01 1.8480E+01 1.8631E+00 O6 5119 15.999400 -0.847600 1.8334E+00 -8.5796E+00 -1.4959E+01 H1 5120 1.008000 0.423800 8.4945E-01 -8.6050E+00 -1.5136E+01 H2 5121 1.008000 0.423800 2.2586E+00 -7.8853E+00 -1.5540E+01 O6 5122 15.999400 -0.847600 -6.1752E+00 1.2007E+01 -4.5697E+00 H1 5123 1.008000 0.423800 -5.8042E+00 1.1686E+01 -3.6983E+00 H2 5124 1.008000 0.423800 -5.6883E+00 1.2833E+01 -4.8556E+00 O6 5125 15.999400 -0.847600 -3.6551E+00 -5.5053E+00 5.4811E+00 H1 5126 1.008000 0.423800 -4.5370E+00 -5.0565E+00 5.6257E+00 H2 5127 1.008000 0.423800 -2.9386E+00 -4.9920E+00 5.9535E+00 O6 5128 15.999400 -0.847600 -7.9339E+00 1.1843E+01 -8.0599E+00 H1 5129 1.008000 0.423800 -7.0621E+00 1.1356E+01 -8.0136E+00 H2 5130 1.008000 0.423800 -7.7666E+00 1.2805E+01 -8.2750E+00 O6 5131 15.999400 -0.847600 -5.6192E+00 6.3448E+00 1.8410E+01 H1 5132 1.008000 0.423800 -5.8036E+00 7.3265E+00 1.8459E+01 H2 5133 1.008000 0.423800 -4.8136E+00 6.1291E+00 1.8962E+01 O6 5134 15.999400 -0.847600 -1.7478E+01 -1.5047E+01 1.4189E+01 H1 5135 1.008000 0.423800 -1.6606E+01 -1.4860E+01 1.4642E+01 H2 5136 1.008000 0.423800 -1.7594E+01 -1.6035E+01 1.4085E+01 O6 5137 15.999400 -0.847600 1.5175E+01 8.2676E+00 -9.8906E+00 H1 5138 1.008000 0.423800 1.4993E+01 7.8213E+00 -9.0144E+00 H2 5139 1.008000 0.423800 1.5820E+01 7.7148E+00 -1.0419E+01 O6 5140 15.999400 -0.847600 7.5820E-01 -1.7173E+01 1.9013E+01 H1 5141 1.008000 0.423800 1.3510E+00 -1.6374E+01 1.8913E+01 H2 5142 1.008000 0.423800 -1.5439E-01 -1.6957E+01 1.8666E+01 O6 5143 15.999400 -0.847600 6.8110E+00 -5.8284E+00 3.1102E+00 H1 5144 1.008000 0.423800 7.0997E+00 -5.7283E+00 4.0624E+00 H2 5145 1.008000 0.423800 7.3960E+00 -6.4984E+00 2.6533E+00 O6 5146 15.999400 -0.847600 1.7945E+01 1.2865E+01 1.7734E+01 H1 5147 1.008000 0.423800 1.8381E+01 1.2012E+01 1.8020E+01 H2 5148 1.008000 0.423800 1.8642E+01 1.3572E+01 1.7615E+01 O6 5149 15.999400 -0.847600 4.4037E+00 4.4468E+00 -1.9132E+01 H1 5150 1.008000 0.423800 3.9079E+00 3.5927E+00 -1.9289E+01 H2 5151 1.008000 0.423800 5.0903E+00 4.5700E+00 1.9249E+01 O6 5152 15.999400 -0.847600 1.9332E+01 4.2674E+00 6.1179E+00 H1 5153 1.008000 0.423800 1.9006E+01 5.1476E+00 6.4631E+00 H2 5154 1.008000 0.423800 -1.9046E+01 4.4206E+00 5.4400E+00 O6 5155 15.999400 -0.847600 -9.3826E+00 -1.5587E+01 -1.5242E+01 H1 5156 1.008000 0.423800 -9.7056E+00 -1.6468E+01 -1.4898E+01 H2 5157 1.008000 0.423800 -9.4370E+00 -1.4904E+01 -1.4513E+01 O6 5158 15.999400 -0.847600 1.4197E+01 3.8647E+00 -1.5339E+01 H1 5159 1.008000 0.423800 1.4049E+01 2.8758E+00 -1.5325E+01 H2 5160 1.008000 0.423800 1.3545E+01 4.2907E+00 -1.5966E+01 O6 5161 15.999400 -0.847600 -2.5140E+00 7.6766E+00 1.3380E+01 H1 5162 1.008000 0.423800 -2.1437E+00 8.6044E+00 1.3426E+01 H2 5163 1.008000 0.423800 -2.0747E+00 7.1793E+00 1.2632E+01 O6 5164 15.999400 -0.847600 1.4632E+00 1.6399E+00 1.6237E+01 H1 5165 1.008000 0.423800 8.4143E-01 2.3656E+00 1.5942E+01 H2 5166 1.008000 0.423800 9.4261E-01 8.0274E-01 1.6404E+01 O6 5167 15.999400 -0.847600 1.2353E+01 5.8542E+00 4.9411E+00 H1 5168 1.008000 0.423800 1.1898E+01 5.5464E+00 5.7772E+00 H2 5169 1.008000 0.423800 1.3031E+01 5.1751E+00 4.6610E+00 O6 5170 15.999400 -0.847600 1.8040E+01 -1.3768E+01 -7.3960E+00 H1 5171 1.008000 0.423800 1.7403E+01 -1.3919E+01 -8.1519E+00 H2 5172 1.008000 0.423800 1.7776E+01 -1.2942E+01 -6.8972E+00 O6 5173 15.999400 -0.847600 -1.3955E+01 1.6877E+01 -1.2523E+01 H1 5174 1.008000 0.423800 -1.4098E+01 1.7578E+01 -1.3220E+01 H2 5175 1.008000 0.423800 -1.2975E+01 1.6769E+01 -1.2354E+01 O6 5176 15.999400 -0.847600 -6.6063E-01 1.9085E+01 -1.8417E+01 H1 5177 1.008000 0.423800 -1.6861E-01 1.8638E+01 -1.9164E+01 H2 5178 1.008000 0.423800 -4.6671E-03 1.9434E+01 -1.7748E+01 O6 5179 15.999400 -0.847600 6.2545E+00 7.5339E+00 -2.2807E+00 H1 5180 1.008000 0.423800 6.7202E+00 6.8353E+00 -1.7373E+00 H2 5181 1.008000 0.423800 5.6309E+00 8.0511E+00 -1.6945E+00 O6 5182 15.999400 -0.847600 9.8066E+00 -3.6456E+00 3.5498E+00 H1 5183 1.008000 0.423800 1.0669E+01 -3.3909E+00 3.1117E+00 H2 5184 1.008000 0.423800 9.0573E+00 -3.5429E+00 2.8956E+00 O6 5185 15.999400 -0.847600 -1.3670E+01 -1.7761E+01 -1.7530E+01 H1 5186 1.008000 0.423800 -1.3834E+01 -1.8511E+01 -1.6889E+01 H2 5187 1.008000 0.423800 -1.2701E+01 -1.7513E+01 -1.7513E+01 O6 5188 15.999400 -0.847600 1.5940E+01 7.0591E+00 6.2137E+00 H1 5189 1.008000 0.423800 1.5937E+01 7.1004E+00 5.2145E+00 H2 5190 1.008000 0.423800 1.6763E+01 6.5847E+00 6.5258E+00 O6 5191 15.999400 -0.847600 5.5578E+00 -1.2367E+01 5.0451E+00 H1 5192 1.008000 0.423800 5.2629E+00 -1.3212E+01 5.4905E+00 H2 5193 1.008000 0.423800 6.0761E+00 -1.1811E+01 5.6950E+00 O6 5194 15.999400 -0.847600 1.8189E+01 -1.9520E+00 1.5098E+01 H1 5195 1.008000 0.423800 1.8721E+01 -1.9089E+00 1.5944E+01 H2 5196 1.008000 0.423800 1.8651E+01 -2.5521E+00 1.4445E+01 O6 5197 15.999400 -0.847600 -9.6477E+00 -1.0179E+00 -1.1233E+01 H1 5198 1.008000 0.423800 -9.4946E+00 -7.7959E-01 -1.2192E+01 H2 5199 1.008000 0.423800 -1.0530E+01 -1.4788E+00 -1.1141E+01 O6 5200 15.999400 -0.847600 1.7084E+01 -1.2859E+01 2.6312E+00 H1 5201 1.008000 0.423800 1.6222E+01 -1.2970E+01 3.1253E+00 H2 5202 1.008000 0.423800 1.7324E+01 -1.3720E+01 2.1824E+00 O6 5203 15.999400 -0.847600 5.6183E+00 -1.7024E+01 1.9290E+01 H1 5204 1.008000 0.423800 6.5265E+00 -1.7239E+01 -1.9449E+01 H2 5205 1.008000 0.423800 4.9442E+00 -1.7093E+01 -1.9072E+01 O6 5206 15.999400 -0.847600 -1.3597E+00 -1.3790E+01 7.1866E+00 H1 5207 1.008000 0.423800 -1.2021E+00 -1.3124E+01 6.4568E+00 H2 5208 1.008000 0.423800 -4.9256E-01 -1.4002E+01 7.6373E+00 O6 5209 15.999400 -0.847600 1.6888E+01 -2.5220E+00 2.5213E+00 H1 5210 1.008000 0.423800 1.7205E+01 -2.9907E+00 1.6970E+00 H2 5211 1.008000 0.423800 1.7674E+01 -2.1658E+00 3.0259E+00 O6 5212 15.999400 -0.847600 -1.6848E+01 6.2640E+00 1.2527E+01 H1 5213 1.008000 0.423800 -1.6225E+01 6.2809E+00 1.1744E+01 H2 5214 1.008000 0.423800 -1.7241E+01 7.1738E+00 1.2660E+01 O6 5215 15.999400 -0.847600 1.4158E+01 -1.0226E+01 4.5122E+00 H1 5216 1.008000 0.423800 1.3482E+01 -9.6702E+00 4.0294E+00 H2 5217 1.008000 0.423800 1.3942E+01 -1.0240E+01 5.4885E+00 O6 5218 15.999400 -0.847600 5.0978E-01 -2.5599E+00 -1.5478E+01 H1 5219 1.008000 0.423800 5.7262E-01 -2.1423E+00 -1.6385E+01 H2 5220 1.008000 0.423800 5.0865E-01 -1.8436E+00 -1.4781E+01 O6 5221 15.999400 -0.847600 3.3981E+00 1.8103E+01 -2.3401E+00 H1 5222 1.008000 0.423800 4.0237E+00 1.7410E+01 -2.6986E+00 H2 5223 1.008000 0.423800 3.8757E+00 1.8979E+01 -2.2696E+00 O6 5224 15.999400 -0.847600 -1.6416E+01 -1.8904E+00 3.1391E+00 H1 5225 1.008000 0.423800 -1.5733E+01 -1.7703E+00 3.8592E+00 H2 5226 1.008000 0.423800 -1.6773E+01 -2.8238E+00 3.1710E+00 O6 5227 15.999400 -0.847600 -7.1021E+00 1.6013E+01 -1.0954E+01 H1 5228 1.008000 0.423800 -6.5821E+00 1.5172E+01 -1.0802E+01 H2 5229 1.008000 0.423800 -6.5912E+00 1.6614E+01 -1.1568E+01 O6 5230 15.999400 -0.847600 -1.4636E+00 1.9217E+01 -1.1296E+01 H1 5231 1.008000 0.423800 -2.1014E+00 -1.9118E+01 -1.1184E+01 H2 5232 1.008000 0.423800 -1.5170E+00 1.8872E+01 -1.2233E+01 O6 5233 15.999400 -0.847600 -1.4022E+01 3.7895E+00 -1.7979E+01 H1 5234 1.008000 0.423800 -1.4263E+01 3.2175E+00 -1.8763E+01 H2 5235 1.008000 0.423800 -1.3104E+01 3.5497E+00 -1.7661E+01 O6 5236 15.999400 -0.847600 3.4751E+00 1.8483E+01 -6.6945E+00 H1 5237 1.008000 0.423800 3.1634E+00 1.9079E+01 -5.9545E+00 H2 5238 1.008000 0.423800 4.4276E+00 1.8224E+01 -6.5348E+00 O6 5239 15.999400 -0.847600 1.2949E+01 -3.6762E+00 7.8473E+00 H1 5240 1.008000 0.423800 1.3448E+01 -2.8190E+00 7.7229E+00 H2 5241 1.008000 0.423800 1.2639E+01 -4.0135E+00 6.9582E+00 O6 5242 15.999400 -0.847600 7.4335E+00 -6.2793E+00 1.8827E+01 H1 5243 1.008000 0.423800 7.5673E+00 -5.8734E+00 -1.9367E+01 H2 5244 1.008000 0.423800 6.4952E+00 -6.6159E+00 1.8748E+01 O6 5245 15.999400 -0.847600 1.8614E+01 -1.5562E+01 -3.7107E+00 H1 5246 1.008000 0.423800 1.7629E+01 -1.5684E+01 -3.8315E+00 H2 5247 1.008000 0.423800 1.8974E+01 -1.4996E+01 -4.4527E+00 O6 5248 15.999400 -0.847600 -1.7565E+01 -1.5315E+01 4.2332E+00 H1 5249 1.008000 0.423800 -1.7558E+01 -1.5873E+01 3.4034E+00 H2 5250 1.008000 0.423800 -1.8031E+01 -1.4449E+01 4.0481E+00 O6 5251 15.999400 -0.847600 -1.5149E+01 -6.0275E+00 -6.4483E+00 H1 5252 1.008000 0.423800 -1.4354E+01 -6.4929E+00 -6.0588E+00 H2 5253 1.008000 0.423800 -1.5191E+01 -6.2066E+00 -7.4312E+00 O6 5254 15.999400 -0.847600 2.0774E+00 9.9869E+00 1.6568E+01 H1 5255 1.008000 0.423800 2.4014E+00 9.0605E+00 1.6760E+01 H2 5256 1.008000 0.423800 2.4632E+00 1.0621E+01 1.7239E+01 O6 5257 15.999400 -0.847600 -1.9000E+01 1.6796E+01 -1.7603E+01 H1 5258 1.008000 0.423800 -1.8909E+01 1.6572E+01 -1.8573E+01 H2 5259 1.008000 0.423800 -1.8415E+01 1.6190E+01 -1.7064E+01 O6 5260 15.999400 -0.847600 1.3792E+01 -1.2311E+00 7.6701E+00 H1 5261 1.008000 0.423800 1.2910E+01 -1.1787E+00 8.1389E+00 H2 5262 1.008000 0.423800 1.4507E+01 -1.4571E+00 8.3309E+00 O6 5263 15.999400 -0.847600 9.1601E+00 1.1578E+01 -9.0357E+00 H1 5264 1.008000 0.423800 8.3287E+00 1.2125E+01 -9.1313E+00 H2 5265 1.008000 0.423800 9.5404E+00 1.1388E+01 -9.9410E+00 O6 5266 15.999400 -0.847600 4.7233E+00 -7.4689E+00 -5.7710E+00 H1 5267 1.008000 0.423800 3.7763E+00 -7.7892E+00 -5.7456E+00 H2 5268 1.008000 0.423800 5.1332E+00 -7.5684E+00 -4.8643E+00 O6 5269 15.999400 -0.847600 2.8522E+00 -7.4970E+00 4.9229E+00 H1 5270 1.008000 0.423800 2.0843E+00 -6.8627E+00 5.0119E+00 H2 5271 1.008000 0.423800 3.5409E+00 -7.1032E+00 4.3141E+00 O6 5272 15.999400 -0.847600 6.5328E+00 1.7091E+00 1.7046E+01 H1 5273 1.008000 0.423800 5.7073E+00 1.2081E+00 1.6786E+01 H2 5274 1.008000 0.423800 7.1429E+00 1.1039E+00 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H1 5291 1.008000 0.423800 6.6672E+00 -6.2903E+00 -1.3744E+01 H2 5292 1.008000 0.423800 7.7422E+00 -7.1435E+00 -1.4629E+01 O6 5293 15.999400 -0.847600 1.1558E+01 -1.6610E+01 -1.4866E+01 H1 5294 1.008000 0.423800 1.0832E+01 -1.7290E+01 -1.4768E+01 H2 5295 1.008000 0.423800 1.2062E+01 -1.6533E+01 -1.4006E+01 O6 5296 15.999400 -0.847600 5.2425E+00 -3.3199E+00 -5.0482E+00 H1 5297 1.008000 0.423800 5.4811E+00 -3.7776E+00 -5.9047E+00 H2 5298 1.008000 0.423800 5.5279E+00 -2.3625E+00 -5.0912E+00 O6 5299 15.999400 -0.847600 -7.2439E+00 5.1640E+00 -6.4606E+00 H1 5300 1.008000 0.423800 -8.2036E+00 5.3818E+00 -6.2824E+00 H2 5301 1.008000 0.423800 -7.1153E+00 4.1729E+00 -6.4269E+00 O6 5302 15.999400 -0.847600 1.9173E+00 1.0169E+01 5.1324E+00 H1 5303 1.008000 0.423800 2.4309E+00 9.3320E+00 5.3203E+00 H2 5304 1.008000 0.423800 2.5538E+00 1.0909E+01 4.9138E+00 O6 5305 15.999400 -0.847600 -1.3457E+01 -1.8029E+01 -3.8928E+00 H1 5306 1.008000 0.423800 -1.3758E+01 -1.7403E+01 -4.6119E+00 H2 5307 1.008000 0.423800 -1.2744E+01 -1.7591E+01 -3.3462E+00 O6 5308 15.999400 -0.847600 -1.2497E+00 -1.2000E+01 1.5387E+01 H1 5309 1.008000 0.423800 -2.2128E+00 -1.1735E+01 1.5432E+01 H2 5310 1.008000 0.423800 -1.0487E+00 -1.2375E+01 1.4482E+01 O6 5311 15.999400 -0.847600 -1.0844E+01 -1.1149E+01 -1.7725E+01 H1 5312 1.008000 0.423800 -1.0779E+01 -1.0207E+01 -1.8057E+01 H2 5313 1.008000 0.423800 -1.0256E+01 -1.1261E+01 -1.6923E+01 O6 5314 15.999400 -0.847600 4.7391E+00 -6.8420E+00 1.8677E+01 H1 5315 1.008000 0.423800 4.5540E+00 -5.8593E+00 1.8669E+01 H2 5316 1.008000 0.423800 4.0602E+00 -7.3044E+00 1.9247E+01 O6 5317 15.999400 -0.847600 -1.0914E+01 9.0084E+00 -7.4934E+00 H1 5318 1.008000 0.423800 -1.1242E+01 8.1496E+00 -7.0999E+00 H2 5319 1.008000 0.423800 -1.0860E+01 9.7041E+00 -6.7770E+00 O6 5320 15.999400 -0.847600 -1.1234E+01 1.8550E+01 -1.6281E+01 H1 5321 1.008000 0.423800 -1.2041E+01 1.8903E+01 -1.5809E+01 H2 5322 1.008000 0.423800 -1.1512E+01 1.7854E+01 -1.6943E+01 O6 5323 15.999400 -0.847600 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9.4868E-01 2.1965E-01 H2 5340 1.008000 0.423800 -1.5548E+01 1.9420E+00 -8.9995E-01 O6 5341 15.999400 -0.847600 -1.4361E+01 -1.6499E+01 -5.9633E+00 H1 5342 1.008000 0.423800 -1.4276E+01 -1.5510E+01 -6.0883E+00 H2 5343 1.008000 0.423800 -1.5232E+01 -1.6808E+01 -6.3447E+00 O6 5344 15.999400 -0.847600 -1.5729E+01 -6.8479E+00 -1.2074E+01 H1 5345 1.008000 0.423800 -1.6216E+01 -7.3774E+00 -1.2769E+01 H2 5346 1.008000 0.423800 -1.5146E+01 -7.4581E+00 -1.1538E+01 O6 5347 15.999400 -0.847600 1.5846E+01 7.3567E+00 -1.7298E+01 H1 5348 1.008000 0.423800 1.5561E+01 8.3150E+00 -1.7315E+01 H2 5349 1.008000 0.423800 1.5838E+01 7.0236E+00 -1.6355E+01 O6 5350 15.999400 -0.847600 -1.0448E+01 -1.1504E+01 -1.4720E+01 H1 5351 1.008000 0.423800 -1.0611E+01 -1.0606E+01 -1.4311E+01 H2 5352 1.008000 0.423800 -9.7421E+00 -1.1984E+01 -1.4198E+01 O6 5353 15.999400 -0.847600 1.2244E+01 -1.9131E+01 1.1284E+01 H1 5354 1.008000 0.423800 1.3236E+01 -1.9099E+01 1.1411E+01 H2 5355 1.008000 0.423800 1.1831E+01 -1.8307E+01 1.1673E+01 O6 5356 15.999400 -0.847600 7.4600E+00 1.9404E+01 4.9180E+00 H1 5357 1.008000 0.423800 6.5267E+00 1.9134E+01 5.1561E+00 H2 5358 1.008000 0.423800 7.4734E+00 -1.9324E+01 3.9890E+00 O6 5359 15.999400 -0.847600 5.0292E+00 1.7782E+01 1.5904E+01 H1 5360 1.008000 0.423800 4.1781E+00 1.8253E+01 1.5672E+01 H2 5361 1.008000 0.423800 5.5636E+00 1.7630E+01 1.5073E+01 O6 5362 15.999400 -0.847600 1.7009E+01 1.8500E+01 1.1119E+01 H1 5363 1.008000 0.423800 1.7703E+01 1.9185E+01 1.0893E+01 H2 5364 1.008000 0.423800 1.7067E+01 1.7741E+01 1.0470E+01 O6 5365 15.999400 -0.847600 -9.3892E+00 -1.2300E+01 3.2739E+00 H1 5366 1.008000 0.423800 -1.0216E+01 -1.2855E+01 3.1808E+00 H2 5367 1.008000 0.423800 -9.0717E+00 -1.2332E+01 4.2216E+00 O6 5368 15.999400 -0.847600 1.1816E+01 1.0922E+01 3.2135E+00 H1 5369 1.008000 0.423800 1.2623E+01 1.0750E+01 3.7786E+00 H2 5370 1.008000 0.423800 1.1265E+01 1.1645E+01 3.6307E+00 O6 5371 15.999400 -0.847600 1.9137E+01 -4.6893E+00 -9.5121E+00 H1 5372 1.008000 0.423800 1.9221E+01 -4.9341E+00 -8.5461E+00 H2 5373 1.008000 0.423800 -1.9156E+01 -5.0140E+00 -1.0009E+01 O6 5374 15.999400 -0.847600 1.6868E+01 -2.9364E+00 -1.5391E+01 H1 5375 1.008000 0.423800 1.7256E+01 -3.7808E+00 -1.5761E+01 H2 5376 1.008000 0.423800 1.5870E+01 -2.9738E+00 -1.5452E+01 O6 5377 15.999400 -0.847600 3.7127E+00 7.0220E+00 1.9279E+01 H1 5378 1.008000 0.423800 4.0105E+00 6.1248E+00 -1.9492E+01 H2 5379 1.008000 0.423800 4.0104E+00 7.7265E+00 -1.9174E+01 O6 5380 15.999400 -0.847600 7.4918E+00 7.7051E+00 1.0785E+01 H1 5381 1.008000 0.423800 8.1943E+00 8.0967E+00 1.0191E+01 H2 5382 1.008000 0.423800 6.9489E+00 8.4412E+00 1.1189E+01 O6 5383 15.999400 -0.847600 1.3365E+01 1.3021E+01 -1.1024E+01 H1 5384 1.008000 0.423800 1.3414E+01 1.2333E+01 -1.1749E+01 H2 5385 1.008000 0.423800 1.3100E+01 1.2582E+01 -1.0166E+01 O6 5386 15.999400 -0.847600 -1.9295E+01 -1.0359E+01 1.1996E+01 H1 5387 1.008000 0.423800 1.9210E+01 -9.5684E+00 1.2152E+01 H2 5388 1.008000 0.423800 1.9253E+01 -1.1194E+01 1.2004E+01 O6 5389 15.999400 -0.847600 -1.3247E+01 9.8784E+00 1.7110E+01 H1 5390 1.008000 0.423800 -1.2528E+01 1.0047E+01 1.7784E+01 H2 5391 1.008000 0.423800 -1.3954E+01 9.2977E+00 1.7515E+01 O6 5392 15.999400 -0.847600 -7.4761E+00 -4.3334E+00 -5.0379E+00 H1 5393 1.008000 0.423800 -6.5342E+00 -4.3786E+00 -4.7052E+00 H2 5394 1.008000 0.423800 -7.5088E+00 -3.7831E+00 -5.8722E+00 O6 5395 15.999400 -0.847600 1.0228E+00 7.5148E+00 7.1997E+00 H1 5396 1.008000 0.423800 1.7828E+00 8.1483E+00 7.3450E+00 H2 5397 1.008000 0.423800 1.3807E+00 6.5915E+00 7.0601E+00 O6 5398 15.999400 -0.847600 9.4039E+00 1.4245E+01 -1.9279E+01 H1 5399 1.008000 0.423800 9.4369E+00 1.3640E+01 1.9023E+01 H2 5400 1.008000 0.423800 9.4509E+00 1.3699E+01 -1.8443E+01 O6 5401 15.999400 -0.847600 4.7532E+00 9.3293E+00 -7.1088E+00 H1 5402 1.008000 0.423800 4.1410E+00 8.8751E+00 -6.4615E+00 H2 5403 1.008000 0.423800 5.1043E+00 8.6587E+00 -7.7622E+00 O6 5404 15.999400 -0.847600 6.1917E+00 9.7755E+00 1.5712E+01 H1 5405 1.008000 0.423800 6.8661E+00 9.1183E+00 1.5375E+01 H2 5406 1.008000 0.423800 5.8058E+00 9.4453E+00 1.6574E+01 O6 5407 15.999400 -0.847600 3.4378E+00 -1.6791E+00 1.1569E+01 H1 5408 1.008000 0.423800 4.0395E+00 -2.2530E+00 1.2125E+01 H2 5409 1.008000 0.423800 3.8844E+00 -1.4731E+00 1.0699E+01 O6 5410 15.999400 -0.847600 1.4484E+01 5.6901E+00 -1.3098E+01 H1 5411 1.008000 0.423800 1.4370E+01 4.8707E+00 -1.3660E+01 H2 5412 1.008000 0.423800 1.3605E+01 5.9431E+00 -1.2695E+01 O6 5413 15.999400 -0.847600 6.8895E+00 -1.4063E+01 9.2623E+00 H1 5414 1.008000 0.423800 7.3043E+00 -1.4935E+01 9.5220E+00 H2 5415 1.008000 0.423800 5.9079E+00 -1.4190E+01 9.1200E+00 O6 5416 15.999400 -0.847600 -1.1050E+01 8.2346E+00 1.1882E-01 H1 5417 1.008000 0.423800 -1.0691E+01 8.5219E+00 -7.6935E-01 H2 5418 1.008000 0.423800 -1.1921E+01 7.7616E+00 -1.0910E-02 O6 5419 15.999400 -0.847600 1.4094E+01 8.6676E+00 -1.4724E+01 H1 5420 1.008000 0.423800 1.4383E+01 9.1980E+00 -1.5521E+01 H2 5421 1.008000 0.423800 1.4747E+01 7.9281E+00 -1.4561E+01 O6 5422 15.999400 -0.847600 1.1539E+01 1.1978E+01 -5.2666E+00 H1 5423 1.008000 0.423800 1.0553E+01 1.2120E+01 -5.3569E+00 H2 5424 1.008000 0.423800 1.2021E+01 1.2819E+01 -5.5102E+00 O6 5425 15.999400 -0.847600 7.5002E+00 -1.8306E+01 7.6998E+00 H1 5426 1.008000 0.423800 6.6590E+00 -1.7773E+01 7.7896E+00 H2 5427 1.008000 0.423800 7.4831E+00 -1.8813E+01 6.8381E+00 O6 5428 15.999400 -0.847600 1.2783E+01 -1.7613E+01 -1.8536E-01 H1 5429 1.008000 0.423800 1.3662E+01 -1.7142E+01 -2.5229E-01 H2 5430 1.008000 0.423800 1.2666E+01 -1.8216E+01 -9.7509E-01 O6 5431 15.999400 -0.847600 -1.5487E+01 -1.1837E+01 5.1990E+00 H1 5432 1.008000 0.423800 -1.6139E+01 -1.1135E+01 5.4854E+00 H2 5433 1.008000 0.423800 -1.5984E+01 -1.2636E+01 4.8619E+00 O6 5434 15.999400 -0.847600 1.8699E+01 6.7061E+00 6.8660E+00 H1 5435 1.008000 0.423800 1.9053E+01 6.7897E+00 7.7973E+00 H2 5436 1.008000 0.423800 1.9298E+01 7.1998E+00 6.2358E+00 O6 5437 15.999400 -0.847600 5.2806E+00 -7.5861E+00 -1.6823E+01 H1 5438 1.008000 0.423800 5.5853E+00 -7.3230E+00 -1.5907E+01 H2 5439 1.008000 0.423800 6.0769E+00 -7.7373E+00 -1.7408E+01 O6 5440 15.999400 -0.847600 -1.7658E+01 4.9145E+00 4.4495E+00 H1 5441 1.008000 0.423800 -1.7041E+01 4.3636E+00 3.8879E+00 H2 5442 1.008000 0.423800 -1.7340E+01 4.9094E+00 5.3976E+00 O6 5443 15.999400 -0.847600 -9.7288E+00 1.2764E+01 -1.4052E+01 H1 5444 1.008000 0.423800 -9.2989E+00 1.2499E+01 -1.3189E+01 H2 5445 1.008000 0.423800 -9.6722E+00 1.3756E+01 -1.4162E+01 O6 5446 15.999400 -0.847600 2.9042E+00 -9.2751E+00 -8.3731E+00 H1 5447 1.008000 0.423800 2.4257E+00 -8.9272E+00 -7.5668E+00 H2 5448 1.008000 0.423800 3.8076E+00 -8.8506E+00 -8.4334E+00 O6 5449 15.999400 -0.847600 1.2532E+01 -5.2404E+00 1.7191E+01 H1 5450 1.008000 0.423800 1.2121E+01 -5.8664E+00 1.7854E+01 H2 5451 1.008000 0.423800 1.2077E+01 -5.3458E+00 1.6307E+01 O6 5452 15.999400 -0.847600 1.7317E+01 1.3195E+01 1.1721E+01 H1 5453 1.008000 0.423800 1.6920E+01 1.2315E+01 1.1983E+01 H2 5454 1.008000 0.423800 1.6762E+01 1.3609E+01 1.0998E+01 O6 5455 15.999400 -0.847600 7.9469E+00 1.1882E+01 3.4014E+00 H1 5456 1.008000 0.423800 6.9529E+00 1.1889E+01 3.2926E+00 H2 5457 1.008000 0.423800 8.2799E+00 1.0940E+01 3.3624E+00 O6 5458 15.999400 -0.847600 -6.8529E+00 -1.8506E+01 1.7968E+01 H1 5459 1.008000 0.423800 -7.0447E+00 -1.8924E+01 1.8856E+01 H2 5460 1.008000 0.423800 -6.4268E+00 -1.9181E+01 1.7366E+01 O6 5461 15.999400 -0.847600 -1.6906E+00 -1.5376E+01 -1.7182E+01 H1 5462 1.008000 0.423800 -8.8615E-01 -1.5947E+01 -1.7019E+01 H2 5463 1.008000 0.423800 -1.5374E+00 -1.4807E+01 -1.7990E+01 O6 5464 15.999400 -0.847600 -4.4054E+00 -1.5943E+01 -9.3579E+00 H1 5465 1.008000 0.423800 -4.0637E+00 -1.5081E+01 -9.7321E+00 H2 5466 1.008000 0.423800 -4.3875E+00 -1.5904E+01 -8.3589E+00 O6 5467 15.999400 -0.847600 -3.6305E+00 -1.0489E+01 9.9543E+00 H1 5468 1.008000 0.423800 -3.0591E+00 -1.0602E+01 1.0767E+01 H2 5469 1.008000 0.423800 -3.2865E+00 -9.7247E+00 9.4088E+00 O6 5470 15.999400 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-3.2475E+00 4.2893E-01 H2 5487 1.008000 0.423800 1.2894E+01 -4.2819E+00 -4.6612E-01 O6 5488 15.999400 -0.847600 2.5430E+00 1.5733E+01 1.9034E+01 H1 5489 1.008000 0.423800 2.2163E+00 1.5353E+01 -1.9199E+01 H2 5490 1.008000 0.423800 3.0125E+00 1.5021E+01 1.8512E+01 O6 5491 15.999400 -0.847600 3.8239E+00 -1.0574E+01 -2.1007E+00 H1 5492 1.008000 0.423800 4.7508E+00 -1.0234E+01 -2.2609E+00 H2 5493 1.008000 0.423800 3.2478E+00 -9.8263E+00 -1.7698E+00 O6 5494 15.999400 -0.847600 -1.3910E+00 -1.3614E+01 -1.9382E+01 H1 5495 1.008000 0.423800 -2.2396E+00 -1.3163E+01 1.9439E+01 H2 5496 1.008000 0.423800 -8.0285E-01 -1.3736E+01 1.8916E+01 O6 5497 15.999400 -0.847600 -3.8359E+00 -1.1475E+01 -1.1460E+01 H1 5498 1.008000 0.423800 -4.7366E+00 -1.1041E+01 -1.1462E+01 H2 5499 1.008000 0.423800 -3.1633E+00 -1.0847E+01 -1.1070E+01 O6 5500 15.999400 -0.847600 9.3914E+00 1.2538E+01 1.7789E+01 H1 5501 1.008000 0.423800 8.9601E+00 1.2109E+01 1.6995E+01 H2 5502 1.008000 0.423800 1.0314E+01 1.2836E+01 1.7546E+01 O6 5503 15.999400 -0.847600 -1.2259E+01 1.2727E+01 1.3260E+01 H1 5504 1.008000 0.423800 -1.1731E+01 1.3492E+01 1.2892E+01 H2 5505 1.008000 0.423800 -1.3048E+01 1.2553E+01 1.2672E+01 O6 5506 15.999400 -0.847600 9.4836E+00 -8.4012E+00 7.9357E+00 H1 5507 1.008000 0.423800 9.8551E+00 -8.0340E+00 8.7885E+00 H2 5508 1.008000 0.423800 8.4849E+00 -8.3556E+00 7.9604E+00 O6 5509 15.999400 -0.847600 -1.9088E+01 -1.7689E+01 8.4370E+00 H1 5510 1.008000 0.423800 -1.9495E+01 -1.7267E+01 7.6276E+00 H2 5511 1.008000 0.423800 -1.8893E+01 -1.6984E+01 9.1189E+00 O6 5512 15.999400 -0.847600 -7.2614E+00 -1.5530E+01 1.3870E+01 H1 5513 1.008000 0.423800 -7.8158E+00 -1.5160E+01 1.3125E+01 H2 5514 1.008000 0.423800 -6.8083E+00 -1.6368E+01 1.3564E+01 O6 5515 15.999400 -0.847600 1.6452E+01 -8.1025E+00 -1.0258E+01 H1 5516 1.008000 0.423800 1.6657E+01 -7.9637E+00 -1.1227E+01 H2 5517 1.008000 0.423800 1.6344E+01 -9.0800E+00 -1.0077E+01 O6 5518 15.999400 -0.847600 -5.2133E+00 -1.4347E+01 -1.8425E+01 H1 5519 1.008000 0.423800 -4.8645E+00 -1.5275E+01 -1.8553E+01 H2 5520 1.008000 0.423800 -5.9669E+00 -1.4362E+01 -1.7768E+01 O6 5521 15.999400 -0.847600 3.3026E+00 7.4899E+00 1.6746E+01 H1 5522 1.008000 0.423800 4.1607E+00 7.2921E+00 1.6272E+01 H2 5523 1.008000 0.423800 3.4573E+00 7.4796E+00 1.7734E+01 O6 5524 15.999400 -0.847600 -6.8138E+00 -1.2904E+01 -1.1894E+01 H1 5525 1.008000 0.423800 -6.6763E+00 -1.2107E+01 -1.1305E+01 H2 5526 1.008000 0.423800 -6.2285E+00 -1.2827E+01 -1.2701E+01 O6 5527 15.999400 -0.847600 -3.3729E+00 1.5048E+01 -1.7153E+01 H1 5528 1.008000 0.423800 -3.9457E+00 1.4231E+01 -1.7218E+01 H2 5529 1.008000 0.423800 -3.9250E+00 1.5859E+01 -1.7348E+01 O6 5530 15.999400 -0.847600 -1.3354E+01 -4.8860E+00 -1.6064E+01 H1 5531 1.008000 0.423800 -1.3990E+01 -4.2437E+00 -1.6491E+01 H2 5532 1.008000 0.423800 -1.2970E+01 -5.4898E+00 -1.6762E+01 O6 5533 15.999400 -0.847600 7.7007E+00 -9.3524E+00 4.5628E+00 H1 5534 1.008000 0.423800 7.2576E+00 -9.7381E+00 5.3721E+00 H2 5535 1.008000 0.423800 7.6812E+00 -8.3541E+00 4.6161E+00 O6 5536 15.999400 -0.847600 -6.8077E+00 1.7320E+01 -2.0711E+00 H1 5537 1.008000 0.423800 -6.8468E+00 1.8311E+01 -1.9381E+00 H2 5538 1.008000 0.423800 -7.5175E+00 1.7043E+01 -2.7185E+00 O6 5539 15.999400 -0.847600 -1.5299E+00 4.0030E+00 -2.0470E+00 H1 5540 1.008000 0.423800 -8.4226E-01 4.0712E+00 -2.7699E+00 H2 5541 1.008000 0.423800 -2.1736E+00 4.7641E+00 -2.1266E+00 O6 5542 15.999400 -0.847600 1.8643E+01 -6.3999E+00 1.0672E+01 H1 5543 1.008000 0.423800 1.8387E+01 -7.0380E+00 1.1399E+01 H2 5544 1.008000 0.423800 1.7945E+01 -5.6885E+00 1.0593E+01 O6 5545 15.999400 -0.847600 -9.3323E+00 7.1619E+00 9.4653E+00 H1 5546 1.008000 0.423800 -8.5222E+00 6.9155E+00 9.9973E+00 H2 5547 1.008000 0.423800 -9.2167E+00 8.0808E+00 9.0883E+00 O6 5548 15.999400 -0.847600 1.1192E+01 -1.1196E+01 1.6014E+01 H1 5549 1.008000 0.423800 1.0738E+01 -1.0313E+01 1.5897E+01 H2 5550 1.008000 0.423800 1.0550E+01 -1.1932E+01 1.5799E+01 O6 5551 15.999400 -0.847600 1.1639E+01 -1.6918E+01 1.2549E+01 H1 5552 1.008000 0.423800 1.1568E+01 -1.6206E+01 1.1850E+01 H2 5553 1.008000 0.423800 1.1850E+01 -1.6498E+01 1.3432E+01 O6 5554 15.999400 -0.847600 -6.2961E+00 1.2026E+01 5.8356E+00 H1 5555 1.008000 0.423800 -6.3302E+00 1.3017E+01 5.7015E+00 H2 5556 1.008000 0.423800 -7.1208E+00 1.1726E+01 6.3149E+00 O6 5557 15.999400 -0.847600 -7.9683E+00 1.9278E+01 1.0873E+00 H1 5558 1.008000 0.423800 -7.5147E+00 1.9258E+01 1.9629E-01 H2 5559 1.008000 0.423800 -8.9483E+00 1.9121E+01 9.6595E-01 O6 5560 15.999400 -0.847600 -2.6401E+00 1.2077E+01 -1.4936E+01 H1 5561 1.008000 0.423800 -2.6765E+00 1.1451E+01 -1.5715E+01 H2 5562 1.008000 0.423800 -1.7138E+00 1.2443E+01 -1.4845E+01 O6 5563 15.999400 -0.847600 -6.8686E+00 1.6142E+01 6.5289E-01 H1 5564 1.008000 0.423800 -6.8388E+00 1.6620E+01 -2.2504E-01 H2 5565 1.008000 0.423800 -7.8210E+00 1.5997E+01 9.2155E-01 O6 5566 15.999400 -0.847600 4.5437E+00 -7.5234E+00 1.6127E+01 H1 5567 1.008000 0.423800 4.5279E+00 -7.1074E+00 1.7037E+01 H2 5568 1.008000 0.423800 4.9175E+00 -8.4487E+00 1.6191E+01 O6 5569 15.999400 -0.847600 1.6157E+01 5.5565E-01 5.4174E+00 H1 5570 1.008000 0.423800 1.5941E+01 -2.9149E-01 5.9028E+00 H2 5571 1.008000 0.423800 1.6187E+01 3.7793E-01 4.4338E+00 O6 5572 15.999400 -0.847600 4.2131E+00 -1.1054E+01 -6.6466E+00 H1 5573 1.008000 0.423800 3.8596E+00 -1.0603E+01 -7.4659E+00 H2 5574 1.008000 0.423800 4.8036E+00 -1.1816E+01 -6.9142E+00 O6 5575 15.999400 -0.847600 1.9325E+01 -1.8973E+01 -1.3168E+01 H1 5576 1.008000 0.423800 -1.8836E+01 -1.9008E+01 -1.2818E+01 H2 5577 1.008000 0.423800 1.8870E+01 -1.8153E+01 -1.2821E+01 O6 5578 15.999400 -0.847600 2.4300E+00 1.5538E+01 8.3612E-02 H1 5579 1.008000 0.423800 3.3747E+00 1.5859E+01 1.6969E-02 H2 5580 1.008000 0.423800 1.8077E+00 1.6319E+01 2.1597E-02 O6 5581 15.999400 -0.847600 1.1656E+01 -1.1652E+00 -2.3712E-01 H1 5582 1.008000 0.423800 1.2526E+01 -6.7341E-01 -2.8491E-01 H2 5583 1.008000 0.423800 1.0965E+01 -6.7280E-01 -7.6638E-01 O6 5584 15.999400 -0.847600 1.9226E+01 -6.1725E+00 -8.1291E-01 H1 5585 1.008000 0.423800 1.8615E+01 -6.5788E+00 -1.4923E+00 H2 5586 1.008000 0.423800 -1.8927E+01 -6.4315E+00 -1.0166E+00 O6 5587 15.999400 -0.847600 -5.1342E+00 4.3631E+00 -4.5815E+00 H1 5588 1.008000 0.423800 -4.8519E+00 3.5841E+00 -5.1414E+00 H2 5589 1.008000 0.423800 -5.8912E+00 4.8387E+00 -5.0295E+00 O6 5590 15.999400 -0.847600 -9.1582E-01 -1.1844E+01 -1.7383E+01 H1 5591 1.008000 0.423800 -8.8800E-01 -1.2087E+01 -1.6414E+01 H2 5592 1.008000 0.423800 -1.0257E+00 -1.2674E+01 -1.7931E+01 O6 5593 15.999400 -0.847600 -5.1667E+00 1.0015E+01 2.1020E+00 H1 5594 1.008000 0.423800 -4.4792E+00 1.0695E+01 1.8472E+00 H2 5595 1.008000 0.423800 -5.5451E+00 9.5981E+00 1.2756E+00 O6 5596 15.999400 -0.847600 -1.8229E+01 -1.3553E+01 -1.2932E+00 H1 5597 1.008000 0.423800 -1.7650E+01 -1.2741E+01 -1.2225E+00 H2 5598 1.008000 0.423800 -1.8843E+01 -1.3457E+01 -2.0763E+00 O6 5599 15.999400 -0.847600 1.8631E+01 -9.8145E+00 -1.6924E+01 H1 5600 1.008000 0.423800 1.9145E+01 -1.0543E+01 -1.7377E+01 H2 5601 1.008000 0.423800 1.8267E+01 -9.1861E+00 -1.7612E+01 O6 5602 15.999400 -0.847600 5.2004E+00 9.0283E+00 5.0967E+00 H1 5603 1.008000 0.423800 5.9850E+00 8.9630E+00 4.4800E+00 H2 5604 1.008000 0.423800 4.4459E+00 8.4806E+00 4.7352E+00 O6 5605 15.999400 -0.847600 -5.3257E+00 8.8265E-01 -1.9040E+01 H1 5606 1.008000 0.423800 -6.0228E+00 1.6666E-01 -1.9078E+01 H2 5607 1.008000 0.423800 -5.2462E+00 1.3179E+00 1.9161E+01 O6 5608 15.999400 -0.847600 -1.2327E+01 9.4119E-01 1.6963E+01 H1 5609 1.008000 0.423800 -1.2089E+01 1.3954E+00 1.7821E+01 H2 5610 1.008000 0.423800 -1.3322E+01 9.0242E-01 1.6871E+01 O6 5611 15.999400 -0.847600 -2.4106E+00 8.3872E+00 9.9380E+00 H1 5612 1.008000 0.423800 -1.7302E+00 7.8302E+00 1.0414E+01 H2 5613 1.008000 0.423800 -2.9050E+00 7.8191E+00 9.2801E+00 O6 5614 15.999400 -0.847600 1.6487E+01 -4.9040E+00 -9.3034E+00 H1 5615 1.008000 0.423800 1.6057E+01 -4.7198E+00 -1.0187E+01 H2 5616 1.008000 0.423800 1.7480E+01 -4.9262E+00 -9.4141E+00 O6 5617 15.999400 -0.847600 -1.2288E+01 -6.5125E+00 -1.0937E+01 H1 5618 1.008000 0.423800 -1.2547E+01 -5.8423E+00 -1.0241E+01 H2 5619 1.008000 0.423800 -1.2030E+01 -6.0373E+00 -1.1778E+01 O6 5620 15.999400 -0.847600 5.6393E+00 2.7207E+00 -5.8601E+00 H1 5621 1.008000 0.423800 4.6780E+00 2.9373E+00 -5.6902E+00 H2 5622 1.008000 0.423800 6.1768E+00 2.9260E+00 -5.0422E+00 O6 5623 15.999400 -0.847600 -3.5762E+00 1.0040E+01 -1.1129E+01 H1 5624 1.008000 0.423800 -3.5533E+00 1.1018E+01 -1.0922E+01 H2 5625 1.008000 0.423800 -3.7126E+00 9.5230E+00 -1.0284E+01 O6 5626 15.999400 -0.847600 1.3464E+01 1.7955E+01 -1.1764E+01 H1 5627 1.008000 0.423800 1.3538E+01 1.8177E+01 -1.2736E+01 H2 5628 1.008000 0.423800 1.4322E+01 1.7548E+01 -1.1449E+01 O6 5629 15.999400 -0.847600 1.5980E+01 -1.7701E+01 -1.6481E+01 H1 5630 1.008000 0.423800 1.5174E+01 -1.8037E+01 -1.6967E+01 H2 5631 1.008000 0.423800 1.6164E+01 -1.8289E+01 -1.5693E+01 O6 5632 15.999400 -0.847600 -8.9924E+00 9.7954E+00 1.8669E+01 H1 5633 1.008000 0.423800 -9.9762E+00 9.9727E+00 1.8697E+01 H2 5634 1.008000 0.423800 -8.4957E+00 1.0642E+01 1.8861E+01 O6 5635 15.999400 -0.847600 1.4147E+01 -1.0926E+01 -1.6364E+01 H1 5636 1.008000 0.423800 1.3740E+01 -1.0705E+01 -1.5478E+01 H2 5637 1.008000 0.423800 1.4785E+01 -1.1689E+01 -1.6257E+01 O6 5638 15.999400 -0.847600 -7.3086E+00 -1.1863E+01 -1.6777E+01 H1 5639 1.008000 0.423800 -6.9504E+00 -1.1947E+01 -1.5847E+01 H2 5640 1.008000 0.423800 -7.7734E+00 -1.2711E+01 -1.7033E+01 O6 5641 15.999400 -0.847600 -1.5918E+00 1.0236E+01 1.3554E+01 H1 5642 1.008000 0.423800 -1.0502E+00 1.0573E+01 1.2784E+01 H2 5643 1.008000 0.423800 -1.1207E+00 1.0448E+01 1.4411E+01 O6 5644 15.999400 -0.847600 1.6059E+01 6.7931E+00 1.5257E+01 H1 5645 1.008000 0.423800 1.5403E+01 7.4724E+00 1.4929E+01 H2 5646 1.008000 0.423800 1.6948E+01 6.9551E+00 1.4830E+01 O6 5647 15.999400 -0.847600 7.7525E+00 1.5695E+01 1.5157E+01 H1 5648 1.008000 0.423800 7.9659E+00 1.5588E+01 1.4186E+01 H2 5649 1.008000 0.423800 8.5535E+00 1.6053E+01 1.5637E+01 O6 5650 15.999400 -0.847600 -2.8209E-01 7.3177E-01 1.0817E+01 H1 5651 1.008000 0.423800 6.3934E-01 1.1204E+00 1.0816E+01 H2 5652 1.008000 0.423800 -9.1374E-01 1.3710E+00 1.0378E+01 O6 5653 15.999400 -0.847600 -1.6754E+01 9.0060E+00 -6.0018E+00 H1 5654 1.008000 0.423800 -1.7312E+01 9.4791E+00 -6.6838E+00 H2 5655 1.008000 0.423800 -1.5789E+01 9.0729E+00 -6.2558E+00 O6 5656 15.999400 -0.847600 -1.0561E+01 -1.3089E+01 1.3816E+01 H1 5657 1.008000 0.423800 -1.0152E+01 -1.2435E+01 1.4452E+01 H2 5658 1.008000 0.423800 -1.0703E+01 -1.3962E+01 1.4281E+01 O6 5659 15.999400 -0.847600 -1.7224E+01 -1.8974E+01 1.5882E+01 H1 5660 1.008000 0.423800 -1.7614E+01 -1.8128E+01 1.6247E+01 H2 5661 1.008000 0.423800 -1.7618E+01 1.9341E+01 1.6364E+01 O6 5662 15.999400 -0.847600 6.2480E+00 -4.2777E+00 7.2036E+00 H1 5663 1.008000 0.423800 5.4913E+00 -3.6446E+00 7.0401E+00 H2 5664 1.008000 0.423800 5.9361E+00 -5.2158E+00 7.0532E+00 O6 5665 15.999400 -0.847600 1.1278E+01 -7.2529E-01 8.9062E+00 H1 5666 1.008000 0.423800 1.0817E+01 -3.8367E-01 8.0869E+00 H2 5667 1.008000 0.423800 1.0638E+01 -1.2757E+00 9.4429E+00 O6 5668 15.999400 -0.847600 1.0022E+01 9.0608E-01 -1.5486E+01 H1 5669 1.008000 0.423800 9.9689E+00 1.6818E+00 -1.6115E+01 H2 5670 1.008000 0.423800 1.0624E+01 1.1367E+00 -1.4722E+01 O6 5671 15.999400 -0.847600 -1.3106E+01 1.6036E+01 1.8026E+01 H1 5672 1.008000 0.423800 -1.2443E+01 1.5306E+01 1.8190E+01 H2 5673 1.008000 0.423800 -1.2815E+01 1.6580E+01 1.7239E+01 O6 5674 15.999400 -0.847600 1.8020E+01 1.5146E+01 1.3631E+01 H1 5675 1.008000 0.423800 1.7766E+01 1.4526E+01 1.2889E+01 H2 5676 1.008000 0.423800 1.7263E+01 1.5774E+01 1.3814E+01 O6 5677 15.999400 -0.847600 -1.8222E+01 -8.6791E+00 9.4088E+00 H1 5678 1.008000 0.423800 -1.8791E+01 -7.9172E+00 9.7172E+00 H2 5679 1.008000 0.423800 -1.8757E+01 -9.5234E+00 9.4247E+00 O6 5680 15.999400 -0.847600 -6.3243E+00 -1.9111E+01 -1.9408E+00 H1 5681 1.008000 0.423800 -6.7074E+00 -1.8333E+01 -1.4437E+00 H2 5682 1.008000 0.423800 -6.4688E+00 -1.8984E+01 -2.9221E+00 O6 5683 15.999400 -0.847600 7.1876E+00 -1.3375E+01 1.2280E+01 H1 5684 1.008000 0.423800 6.3329E+00 -1.3070E+01 1.2700E+01 H2 5685 1.008000 0.423800 7.0392E+00 -1.3541E+01 1.1305E+01 O6 5686 15.999400 -0.847600 1.9076E+00 -1.1851E+01 1.8508E+01 H1 5687 1.008000 0.423800 1.3497E+00 -1.1104E+01 1.8148E+01 H2 5688 1.008000 0.423800 1.3527E+00 -1.2681E+01 1.8571E+01 O6 5689 15.999400 -0.847600 -8.0511E+00 9.3077E+00 8.3384E+00 H1 5690 1.008000 0.423800 -7.1798E+00 8.9494E+00 8.6738E+00 H2 5691 1.008000 0.423800 -8.1758E+00 1.0243E+01 8.6682E+00 O6 5692 15.999400 -0.847600 1.5853E+01 -1.9311E+01 -6.1134E+00 H1 5693 1.008000 0.423800 1.6749E+01 -1.9024E+01 -6.4505E+00 H2 5694 1.008000 0.423800 1.5543E+01 -1.8675E+01 -5.4067E+00 O6 5695 15.999400 -0.847600 -2.4344E+00 1.4442E+01 -2.6350E+00 H1 5696 1.008000 0.423800 -2.5706E+00 1.3489E+01 -2.3630E+00 H2 5697 1.008000 0.423800 -3.3185E+00 1.4908E+01 -2.6725E+00 O6 5698 15.999400 -0.847600 -1.9188E+01 3.6390E-02 -1.9290E+01 H1 5699 1.008000 0.423800 1.9161E+01 -3.6469E-01 1.9280E+01 H2 5700 1.008000 0.423800 -1.9437E+01 5.4297E-02 -1.8321E+01 O6 5701 15.999400 -0.847600 -1.8635E+01 9.0554E+00 6.8938E+00 H1 5702 1.008000 0.423800 -1.9311E+01 9.6805E+00 7.2848E+00 H2 5703 1.008000 0.423800 -1.8211E+01 8.5229E+00 7.6261E+00 O6 5704 15.999400 -0.847600 -1.1633E+01 1.3290E+01 -1.0290E+01 H1 5705 1.008000 0.423800 -1.2146E+01 1.3244E+01 -1.1147E+01 H2 5706 1.008000 0.423800 -1.1080E+01 1.4123E+01 -1.0276E+01 O6 5707 15.999400 -0.847600 -1.4058E+01 -7.9375E+00 4.8196E+00 H1 5708 1.008000 0.423800 -1.5022E+01 -8.1406E+00 4.6440E+00 H2 5709 1.008000 0.423800 -1.3948E+01 -6.9563E+00 4.9778E+00 O6 5710 15.999400 -0.847600 1.1922E+01 3.5510E+00 -5.0552E+00 H1 5711 1.008000 0.423800 1.1513E+01 4.1188E+00 -5.7693E+00 H2 5712 1.008000 0.423800 1.1685E+01 3.9218E+00 -4.1574E+00 O6 5713 15.999400 -0.847600 1.3057E+01 1.0664E+01 -1.2725E+01 H1 5714 1.008000 0.423800 1.2688E+01 1.0068E+01 -1.2012E+01 H2 5715 1.008000 0.423800 1.3631E+01 1.0128E+01 -1.3344E+01 O6 5716 15.999400 -0.847600 1.1025E+01 -1.0563E+01 8.1338E+00 H1 5717 1.008000 0.423800 1.0264E+01 -1.1167E+01 7.8989E+00 H2 5718 1.008000 0.423800 1.0700E+01 -9.6186E+00 8.1775E+00 O6 5719 15.999400 -0.847600 1.2405E+01 8.9617E+00 -1.0724E+01 H1 5720 1.008000 0.423800 1.1913E+01 9.2232E+00 -9.8942E+00 H2 5721 1.008000 0.423800 1.3362E+01 8.7791E+00 -1.0500E+01 O6 5722 15.999400 -0.847600 -1.9527E+01 1.3269E+01 1.8373E+00 H1 5723 1.008000 0.423800 1.9338E+01 1.3566E+01 9.1120E-01 H2 5724 1.008000 0.423800 1.9013E+01 1.3772E+01 2.4984E+00 O6 5725 15.999400 -0.847600 -1.2005E+01 -1.3613E+01 2.6814E+00 H1 5726 1.008000 0.423800 -1.2097E+01 -1.3650E+01 1.6863E+00 H2 5727 1.008000 0.423800 -1.2111E+01 -1.4532E+01 3.0601E+00 O6 5728 15.999400 -0.847600 -1.7476E+01 -1.4909E+01 -1.2795E+01 H1 5729 1.008000 0.423800 -1.7602E+01 -1.5743E+01 -1.2258E+01 H2 5730 1.008000 0.423800 -1.8369E+01 -1.4524E+01 -1.3027E+01 O6 5731 15.999400 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4.5003E+00 -1.1317E+01 H2 5748 1.008000 0.423800 5.8748E+00 5.2830E+00 -1.2732E+01 O6 5749 15.999400 -0.847600 -2.1322E-01 -1.2432E+01 -1.4669E+01 H1 5750 1.008000 0.423800 4.4070E-01 -1.1741E+01 -1.4362E+01 H2 5751 1.008000 0.423800 -3.9821E-01 -1.3072E+01 -1.3923E+01 O6 5752 15.999400 -0.847600 -9.2851E+00 -1.3861E+01 -1.3089E+01 H1 5753 1.008000 0.423800 -8.4446E+00 -1.3413E+01 -1.2785E+01 H2 5754 1.008000 0.423800 -9.6293E+00 -1.4454E+01 -1.2360E+01 O6 5755 15.999400 -0.847600 -4.6592E+00 1.7280E+01 -1.7734E+01 H1 5756 1.008000 0.423800 -5.6413E+00 1.7240E+01 -1.7550E+01 H2 5757 1.008000 0.423800 -4.4927E+00 1.7861E+01 -1.8530E+01 O6 5758 15.999400 -0.847600 5.7056E+00 6.6786E+00 1.5622E+01 H1 5759 1.008000 0.423800 5.9761E+00 5.8983E+00 1.6186E+01 H2 5760 1.008000 0.423800 6.4937E+00 6.9991E+00 1.5096E+01 O6 5761 15.999400 -0.847600 3.0430E+00 1.1278E+01 -1.3107E+01 H1 5762 1.008000 0.423800 2.8527E+00 1.1340E+01 -1.2127E+01 H2 5763 1.008000 0.423800 3.1271E+00 1.2198E+01 -1.3489E+01 O6 5764 15.999400 -0.847600 -1.3813E+00 1.4750E+01 1.4922E+01 H1 5765 1.008000 0.423800 -2.0921E+00 1.5055E+01 1.5556E+01 H2 5766 1.008000 0.423800 -4.9185E-01 1.4783E+01 1.5378E+01 O6 5767 15.999400 -0.847600 -1.8224E+01 1.0592E+01 -3.3019E+00 H1 5768 1.008000 0.423800 -1.7504E+01 1.0376E+01 -3.9610E+00 H2 5769 1.008000 0.423800 -1.7816E+01 1.0994E+01 -2.4822E+00 O6 5770 15.999400 -0.847600 -1.5362E+01 -5.5048E+00 8.3446E+00 H1 5771 1.008000 0.423800 -1.4988E+01 -6.3485E+00 8.7296E+00 H2 5772 1.008000 0.423800 -1.4776E+01 -5.1908E+00 7.5976E+00 O6 5773 15.999400 -0.847600 -1.7081E+01 5.7142E-03 -1.4982E+01 H1 5774 1.008000 0.423800 -1.7395E+01 -3.3887E-02 -1.4033E+01 H2 5775 1.008000 0.423800 -1.6783E+01 -9.0350E-01 -1.5272E+01 O6 5776 15.999400 -0.847600 -7.0419E+00 -7.5522E+00 1.7971E+01 H1 5777 1.008000 0.423800 -6.6754E+00 -8.1358E+00 1.8696E+01 H2 5778 1.008000 0.423800 -6.9385E+00 -8.0117E+00 1.7089E+01 O6 5779 15.999400 -0.847600 1.6332E+01 7.0313E+00 -1.4644E+01 H1 5780 1.008000 0.423800 1.7252E+01 7.0393E+00 -1.4253E+01 H2 5781 1.008000 0.423800 1.5771E+01 6.3579E+00 -1.4163E+01 O6 5782 15.999400 -0.847600 1.5690E+01 -4.9642E-01 9.6205E+00 H1 5783 1.008000 0.423800 1.6643E+01 -6.8102E-01 9.3785E+00 H2 5784 1.008000 0.423800 1.5481E+01 4.6518E-01 9.4424E+00 O6 5785 15.999400 -0.847600 1.1192E+01 1.7123E+01 -1.0808E+01 H1 5786 1.008000 0.423800 1.1275E+01 1.7210E+01 -9.8152E+00 H2 5787 1.008000 0.423800 1.2033E+01 1.7445E+01 -1.1242E+01 O6 5788 15.999400 -0.847600 1.7013E+01 -1.8165E+01 6.6290E+00 H1 5789 1.008000 0.423800 1.6259E+01 -1.8710E+01 6.2621E+00 H2 5790 1.008000 0.423800 1.7877E+01 -1.8643E+01 6.4694E+00 O6 5791 15.999400 -0.847600 1.4105E+01 -1.1677E+01 1.1864E+01 H1 5792 1.008000 0.423800 1.4948E+01 -1.1176E+01 1.1669E+01 H2 5793 1.008000 0.423800 1.3732E+01 -1.1373E+01 1.2741E+01 O6 5794 15.999400 -0.847600 -1.7518E+01 -7.7708E+00 1.5930E+01 H1 5795 1.008000 0.423800 -1.7981E+01 -8.5775E+00 1.5562E+01 H2 5796 1.008000 0.423800 -1.7091E+01 -7.2621E+00 1.5182E+01 O6 5797 15.999400 -0.847600 -1.4149E+01 -1.1768E+01 2.8476E+00 H1 5798 1.008000 0.423800 -1.4856E+01 -1.1931E+01 3.5353E+00 H2 5799 1.008000 0.423800 -1.3485E+01 -1.2515E+01 2.8687E+00 O6 5800 15.999400 -0.847600 -1.6020E+01 -2.4891E+00 -1.5458E+01 H1 5801 1.008000 0.423800 -1.6947E+01 -2.7055E+00 -1.5766E+01 H2 5802 1.008000 0.423800 -1.5663E+01 -3.2498E+00 -1.4916E+01 O6 5803 15.999400 -0.847600 -1.8299E+01 -2.9359E+00 -4.5925E+00 H1 5804 1.008000 0.423800 -1.8681E+01 -2.0870E+00 -4.9577E+00 H2 5805 1.008000 0.423800 -1.8909E+01 -3.3006E+00 -3.8893E+00 O6 5806 15.999400 -0.847600 -3.3298E-01 -1.1531E+01 9.8391E+00 H1 5807 1.008000 0.423800 -9.3424E-01 -1.1233E+01 1.0581E+01 H2 5808 1.008000 0.423800 -2.4907E-01 -1.2527E+01 9.8579E+00 O6 5809 15.999400 -0.847600 -7.9864E+00 1.7442E+00 -4.6028E+00 H1 5810 1.008000 0.423800 -7.5470E+00 1.5357E+00 -3.7290E+00 H2 5811 1.008000 0.423800 -8.7216E+00 2.4061E+00 -4.4565E+00 O6 5812 15.999400 -0.847600 -1.2587E+00 -4.9938E+00 -7.5079E+00 H1 5813 1.008000 0.423800 -1.7114E+00 -5.8585E+00 -7.7255E+00 H2 5814 1.008000 0.423800 -3.6107E-01 -4.9676E+00 -7.9479E+00 O6 5815 15.999400 -0.847600 6.9768E+00 1.3266E+01 -8.7815E+00 H1 5816 1.008000 0.423800 6.4337E+00 1.3717E+01 -8.0733E+00 H2 5817 1.008000 0.423800 7.3765E+00 1.3956E+01 -9.3850E+00 O6 5818 15.999400 -0.847600 9.1437E+00 3.4364E+00 8.8098E+00 H1 5819 1.008000 0.423800 9.4356E+00 2.5452E+00 9.1573E+00 H2 5820 1.008000 0.423800 8.5004E+00 3.8506E+00 9.4535E+00 O6 5821 15.999400 -0.847600 8.7309E+00 -1.6798E+01 -1.3425E+01 H1 5822 1.008000 0.423800 8.5745E+00 -1.7778E+01 -1.3300E+01 H2 5823 1.008000 0.423800 9.1247E+00 -1.6414E+01 -1.2590E+01 O6 5824 15.999400 -0.847600 -1.5521E+01 1.7224E+01 1.5870E+01 H1 5825 1.008000 0.423800 -1.6327E+01 1.7617E+01 1.6311E+01 H2 5826 1.008000 0.423800 -1.5487E+01 1.6241E+01 1.6052E+01 O6 5827 15.999400 -0.847600 8.6961E+00 4.5655E+00 -1.0235E+01 H1 5828 1.008000 0.423800 8.1544E+00 4.5973E+00 -1.1075E+01 H2 5829 1.008000 0.423800 8.7493E+00 3.6220E+00 -9.9087E+00 O6 5830 15.999400 -0.847600 -1.0625E-01 -1.2335E+01 -2.4866E+00 H1 5831 1.008000 0.423800 4.7732E-01 -1.3093E+01 -2.1938E+00 H2 5832 1.008000 0.423800 -5.6609E-01 -1.2580E+01 -3.3403E+00 O6 5833 15.999400 -0.847600 1.6306E+01 1.6999E+01 -6.3549E-01 H1 5834 1.008000 0.423800 1.6784E+01 1.6941E+01 2.4108E-01 H2 5835 1.008000 0.423800 1.6784E+01 1.6441E+01 -1.3133E+00 O6 5836 15.999400 -0.847600 8.6802E+00 -1.1903E+01 -1.9323E+01 H1 5837 1.008000 0.423800 8.7752E+00 -1.1781E+01 -1.8335E+01 H2 5838 1.008000 0.423800 9.0333E+00 -1.2802E+01 1.9514E+01 O6 5839 15.999400 -0.847600 -1.9065E+01 -7.6447E+00 -1.5340E+01 H1 5840 1.008000 0.423800 -1.9323E+01 -8.3270E+00 -1.4656E+01 H2 5841 1.008000 0.423800 -1.9220E+01 -8.0159E+00 -1.6256E+01 O6 5842 15.999400 -0.847600 -1.4176E+01 -1.8596E+01 -1.0383E+01 H1 5843 1.008000 0.423800 -1.3450E+01 -1.9273E+01 -1.0257E+01 H2 5844 1.008000 0.423800 -1.3983E+01 -1.8050E+01 -1.1199E+01 O6 5845 15.999400 -0.847600 -4.2612E+00 -1.8321E+01 -1.5868E+01 H1 5846 1.008000 0.423800 -4.3574E+00 -1.7975E+01 -1.4935E+01 H2 5847 1.008000 0.423800 -3.4387E+00 -1.8886E+01 -1.5931E+01 O6 5848 15.999400 -0.847600 1.7002E+00 -1.2494E+01 1.2446E+01 H1 5849 1.008000 0.423800 1.9973E+00 -1.1882E+01 1.3180E+01 H2 5850 1.008000 0.423800 7.5293E-01 -1.2771E+01 1.2607E+01 O6 5851 15.999400 -0.847600 1.7762E+01 -1.7592E+01 1.1324E+01 H1 5852 1.008000 0.423800 1.7636E+01 -1.6710E+01 1.1778E+01 H2 5853 1.008000 0.423800 1.7162E+01 -1.7644E+01 1.0526E+01 O6 5854 15.999400 -0.847600 7.2878E+00 4.7004E-01 -1.4715E+01 H1 5855 1.008000 0.423800 8.2374E+00 6.0035E-01 -1.5001E+01 H2 5856 1.008000 0.423800 6.8450E+00 -1.8967E-01 -1.5323E+01 O6 5857 15.999400 -0.847600 1.2534E+01 1.3151E+01 1.3664E+01 H1 5858 1.008000 0.423800 1.3322E+01 1.3443E+01 1.4207E+01 H2 5859 1.008000 0.423800 1.2683E+01 1.2218E+01 1.3337E+01 O6 5860 15.999400 -0.847600 3.7588E+00 5.7605E+00 -3.4037E-01 H1 5861 1.008000 0.423800 3.4359E+00 5.4250E+00 -1.2254E+00 H2 5862 1.008000 0.423800 4.0038E+00 6.7268E+00 -4.1953E-01 O6 5863 15.999400 -0.847600 -7.3480E+00 1.0033E+01 -5.8378E+00 H1 5864 1.008000 0.423800 -6.9090E+00 1.0788E+01 -5.3498E+00 H2 5865 1.008000 0.423800 -8.3210E+00 1.0233E+01 -5.9541E+00 O6 5866 15.999400 -0.847600 1.9068E+01 -9.8297E+00 -2.4762E+00 H1 5867 1.008000 0.423800 1.8105E+01 -9.7088E+00 -2.2337E+00 H2 5868 1.008000 0.423800 1.9178E+01 -1.0683E+01 -2.9860E+00 O6 5869 15.999400 -0.847600 -1.5576E-01 1.3342E+01 1.9196E+01 H1 5870 1.008000 0.423800 1.0311E-01 1.2432E+01 1.9520E+01 H2 5871 1.008000 0.423800 -1.1115E+00 1.3332E+01 1.8902E+01 O6 5872 15.999400 -0.847600 -1.6371E+01 3.0720E+00 1.3501E+01 H1 5873 1.008000 0.423800 -1.7167E+01 3.6220E+00 1.3754E+01 H2 5874 1.008000 0.423800 -1.5654E+01 3.6689E+00 1.3140E+01 O6 5875 15.999400 -0.847600 1.9471E+01 -6.9317E+00 -1.8957E+01 H1 5876 1.008000 0.423800 1.8479E+01 -6.9853E+00 -1.8842E+01 H2 5877 1.008000 0.423800 -1.9369E+01 -7.3546E+00 1.9272E+01 O6 5878 15.999400 -0.847600 -1.5191E+01 1.7514E+01 -1.5231E+01 H1 5879 1.008000 0.423800 -1.5466E+01 1.6678E+01 -1.4755E+01 H2 5880 1.008000 0.423800 -1.4826E+01 1.7279E+01 -1.6132E+01 O6 5881 15.999400 -0.847600 -1.9220E+00 -1.2771E+01 3.2099E+00 H1 5882 1.008000 0.423800 -2.8590E+00 -1.2472E+01 3.3901E+00 H2 5883 1.008000 0.423800 -1.9369E+00 -1.3563E+01 2.5995E+00 O6 5884 15.999400 -0.847600 -1.1805E+01 1.6517E+01 -8.1245E+00 H1 5885 1.008000 0.423800 -1.2778E+01 1.6309E+01 -8.0272E+00 H2 5886 1.008000 0.423800 -1.1265E+01 1.5730E+01 -7.8275E+00 O6 5887 15.999400 -0.847600 1.0552E+01 1.4522E+01 -1.1198E+01 H1 5888 1.008000 0.423800 1.1356E+01 1.4008E+01 -1.1499E+01 H2 5889 1.008000 0.423800 1.0831E+01 1.5438E+01 -1.0911E+01 O6 5890 15.999400 -0.847600 -1.6527E+00 -6.1988E-01 -1.2050E+00 H1 5891 1.008000 0.423800 -7.9852E-01 -5.5067E-01 -6.8958E-01 H2 5892 1.008000 0.423800 -2.4020E+00 -8.3936E-01 -5.8029E-01 O6 5893 15.999400 -0.847600 8.4337E+00 1.7028E+00 1.3871E+01 H1 5894 1.008000 0.423800 8.5232E+00 1.2095E+00 1.3005E+01 H2 5895 1.008000 0.423800 7.8365E+00 1.1893E+00 1.4487E+01 O6 5896 15.999400 -0.847600 7.4923E+00 1.6927E+01 7.4071E+00 H1 5897 1.008000 0.423800 6.6186E+00 1.7041E+01 6.9342E+00 H2 5898 1.008000 0.423800 7.8145E+00 1.5987E+01 7.2893E+00 O6 5899 15.999400 -0.847600 -1.0227E+01 3.3616E+00 1.5437E+01 H1 5900 1.008000 0.423800 -1.0729E+01 3.4922E+00 1.6292E+01 H2 5901 1.008000 0.423800 -1.0350E+01 4.1641E+00 1.4853E+01 O6 5902 15.999400 -0.847600 -1.0519E+01 3.2766E+00 -4.6995E+00 H1 5903 1.008000 0.423800 -1.1432E+01 3.3620E+00 -4.3013E+00 H2 5904 1.008000 0.423800 -1.0590E+01 2.8792E+00 -5.6144E+00 O6 5905 15.999400 -0.847600 3.1298E+00 1.0727E+01 -3.9808E+00 H1 5906 1.008000 0.423800 4.0140E+00 1.1188E+01 -4.0548E+00 H2 5907 1.008000 0.423800 2.7829E+00 1.0819E+01 -3.0475E+00 O6 5908 15.999400 -0.847600 -4.4833E+00 -8.2636E+00 -1.5235E+01 H1 5909 1.008000 0.423800 -4.8610E+00 -9.0662E+00 -1.4774E+01 H2 5910 1.008000 0.423800 -4.0329E+00 -8.5473E+00 -1.6082E+01 O6 5911 15.999400 -0.847600 -2.4363E-01 -1.5910E+01 1.3389E-01 H1 5912 1.008000 0.423800 -3.5138E-01 -1.6827E+01 -2.4879E-01 H2 5913 1.008000 0.423800 -9.7104E-01 -1.5738E+01 7.9830E-01 O6 5914 15.999400 -0.847600 -3.7169E+00 2.0616E+00 1.4615E+01 H1 5915 1.008000 0.423800 -2.7736E+00 1.7830E+00 1.4435E+01 H2 5916 1.008000 0.423800 -4.3320E+00 1.2954E+00 1.4430E+01 O6 5917 15.999400 -0.847600 6.9155E+00 -1.8037E+01 -1.5701E+01 H1 5918 1.008000 0.423800 7.6801E+00 -1.8130E+01 -1.6339E+01 H2 5919 1.008000 0.423800 6.8477E+00 -1.7087E+01 -1.5397E+01 O6 5920 15.999400 -0.847600 1.0152E+01 1.6766E+01 1.5890E+01 H1 5921 1.008000 0.423800 1.0167E+01 1.7753E+01 1.5727E+01 H2 5922 1.008000 0.423800 1.0960E+01 1.6504E+01 1.6417E+01 O6 5923 15.999400 -0.847600 -1.7997E+01 8.3796E+00 -1.3478E+01 H1 5924 1.008000 0.423800 -1.7311E+01 8.6909E+00 -1.4136E+01 H2 5925 1.008000 0.423800 -1.8619E+01 9.1326E+00 -1.3264E+01 O6 5926 15.999400 -0.847600 -9.6032E+00 -1.4980E+01 5.2569E+00 H1 5927 1.008000 0.423800 -9.1061E+00 -1.4124E+01 5.4009E+00 H2 5928 1.008000 0.423800 -9.0663E+00 -1.5582E+01 4.6659E+00 O6 5929 15.999400 -0.847600 -1.6862E+01 4.6829E+00 -1.7626E+01 H1 5930 1.008000 0.423800 -1.5931E+01 4.4102E+00 -1.7385E+01 H2 5931 1.008000 0.423800 -1.7492E+01 4.3923E+00 -1.6906E+01 O6 5932 15.999400 -0.847600 -1.0428E+01 1.6016E+01 3.6910E+00 H1 5933 1.008000 0.423800 -1.1037E+01 1.5773E+01 2.9356E+00 H2 5934 1.008000 0.423800 -1.0776E+01 1.5618E+01 4.5401E+00 O6 5935 15.999400 -0.847600 1.5176E+01 -3.5189E+00 -1.1492E+01 H1 5936 1.008000 0.423800 1.5797E+01 -3.0038E+00 -1.2083E+01 H2 5937 1.008000 0.423800 1.4406E+01 -3.8585E+00 -1.2033E+01 O6 5938 15.999400 -0.847600 -6.4174E+00 1.0287E-01 -1.2761E+01 H1 5939 1.008000 0.423800 -5.9247E+00 -7.1464E-01 -1.2463E+01 H2 5940 1.008000 0.423800 -6.1092E+00 8.9077E-01 -1.2228E+01 O6 5941 15.999400 -0.847600 1.3853E+00 -8.6345E+00 -1.0640E+01 H1 5942 1.008000 0.423800 2.0389E+00 -8.7727E+00 -9.8962E+00 H2 5943 1.008000 0.423800 1.4566E+00 -7.6954E+00 -1.0977E+01 O6 5944 15.999400 -0.847600 -6.1389E+00 -1.5484E+01 -1.1766E+01 H1 5945 1.008000 0.423800 -6.1448E+00 -1.4488E+01 -1.1862E+01 H2 5946 1.008000 0.423800 -5.8909E+00 -1.5726E+01 -1.0828E+01 O6 5947 15.999400 -0.847600 3.0553E+00 7.5687E+00 4.6638E+00 H1 5948 1.008000 0.423800 3.0336E+00 6.7682E+00 5.2628E+00 H2 5949 1.008000 0.423800 2.5057E+00 7.3892E+00 3.8478E+00 O6 5950 15.999400 -0.847600 4.7134E+00 1.4832E+01 8.3222E+00 H1 5951 1.008000 0.423800 4.4782E+00 1.4267E+01 9.1133E+00 H2 5952 1.008000 0.423800 4.8285E+00 1.4248E+01 7.5185E+00 O6 5953 15.999400 -0.847600 1.8981E+01 -1.3441E+01 -1.8156E+01 H1 5954 1.008000 0.423800 1.8082E+01 -1.3763E+01 -1.7861E+01 H2 5955 1.008000 0.423800 -1.9469E+01 -1.4204E+01 -1.8145E+01 O6 5956 15.999400 -0.847600 4.7056E+00 -1.4701E+01 -1.3599E+00 H1 5957 1.008000 0.423800 3.9333E+00 -1.4752E+01 -1.9932E+00 H2 5958 1.008000 0.423800 5.3627E+00 -1.4023E+01 -1.6891E+00 O6 5959 15.999400 -0.847600 -1.8378E+01 -3.5699E+00 -1.5759E+01 H1 5960 1.008000 0.423800 -1.8955E+01 -3.0651E+00 -1.5117E+01 H2 5961 1.008000 0.423800 -1.8908E+01 -3.7959E+00 -1.6576E+01 O6 5962 15.999400 -0.847600 -1.5039E+01 -1.0986E+01 1.3790E+01 H1 5963 1.008000 0.423800 -1.5241E+01 -1.0115E+01 1.3342E+01 H2 5964 1.008000 0.423800 -1.5890E+01 -1.1399E+01 1.4114E+01 O6 5965 15.999400 -0.847600 6.0421E+00 9.8938E+00 1.1887E+01 H1 5966 1.008000 0.423800 6.0968E+00 1.0891E+01 1.1938E+01 H2 5967 1.008000 0.423800 5.8314E+00 9.5252E+00 1.2792E+01 O6 5968 15.999400 -0.847600 9.6469E+00 1.5206E+00 -1.1749E+01 H1 5969 1.008000 0.423800 1.0273E+01 1.4411E+00 -1.2525E+01 H2 5970 1.008000 0.423800 8.7586E+00 1.8495E+00 -1.2070E+01 O6 5971 15.999400 -0.847600 -5.0960E+00 2.0432E+00 1.0223E+01 H1 5972 1.008000 0.423800 -5.5736E+00 1.3275E+00 1.0732E+01 H2 5973 1.008000 0.423800 -5.5619E+00 2.1994E+00 9.3516E+00 O6 5974 15.999400 -0.847600 -2.5229E+00 -1.6948E+00 -1.5848E+01 H1 5975 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39.10 0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.3315E+01 1.2134E+01 2.5227E+00 O1 2 15.999400 -1.000000 -1.2681E+01 1.3558E+01 1.9220E+00 O2 3 15.999400 -1.000000 -1.3405E+01 1.1004E+01 1.2969E+00 O3 4 15.999400 -1.000000 -1.2331E+01 1.1557E+01 3.7416E+00 O4 5 15.999400 -1.000000 -1.4845E+01 1.2419E+01 3.1304E+00 CU 6 63.465000 2.000000 -1.1149E+01 1.1346E+01 5.0193E+00 O6 7 15.999400 -0.847600 1.0554E+01 1.0288E+01 1.4842E+01 H1 8 1.008000 0.423800 1.0324E+01 1.0981E+01 1.4159E+01 H2 9 1.008000 0.423800 1.0480E+01 9.3786E+00 1.4432E+01 O6 10 15.999400 -0.847600 1.4406E+01 1.8224E+01 8.1243E+00 H1 11 1.008000 0.423800 1.4738E+01 1.8437E+01 7.2052E+00 H2 12 1.008000 0.423800 1.4992E+01 1.7526E+01 8.5362E+00 O6 13 15.999400 -0.847600 -3.1140E-01 -1.1670E+01 2.0152E+00 H1 14 1.008000 0.423800 -1.1904E+00 -1.1834E+01 1.5674E+00 H2 15 1.008000 0.423800 -2.6840E-01 -1.0721E+01 2.3282E+00 O6 16 15.999400 -0.847600 -1.5129E+00 -1.9172E+01 8.5351E+00 H1 17 1.008000 0.423800 -1.6739E+00 1.8969E+01 8.2900E+00 H2 18 1.008000 0.423800 -6.3987E-01 -1.8872E+01 8.1506E+00 O6 19 15.999400 -0.847600 -1.7529E+01 -1.5791E+01 1.3833E+01 H1 20 1.008000 0.423800 -1.7171E+01 -1.6556E+01 1.3298E+01 H2 21 1.008000 0.423800 -1.6942E+01 -1.5636E+01 1.4627E+01 O6 22 15.999400 -0.847600 -1.1294E+01 -1.7029E+01 1.7788E+01 H1 23 1.008000 0.423800 -1.2200E+01 -1.6613E+01 1.7867E+01 H2 24 1.008000 0.423800 -1.0635E+01 -1.6338E+01 1.7491E+01 O6 25 15.999400 -0.847600 8.5395E+00 -5.5512E+00 -7.7573E-01 H1 26 1.008000 0.423800 7.7246E+00 -5.4019E+00 -1.3357E+00 H2 27 1.008000 0.423800 8.4662E+00 -6.4325E+00 -3.0888E-01 O6 28 15.999400 -0.847600 -8.0419E+00 -3.0164E+00 -7.0053E-01 H1 29 1.008000 0.423800 -8.4938E+00 -3.8810E+00 -9.2045E-01 H2 30 1.008000 0.423800 -7.3276E+00 -3.1775E+00 -1.9495E-02 O6 31 15.999400 -0.847600 -4.4310E+00 1.7042E+01 1.4275E+01 H1 32 1.008000 0.423800 -3.6901E+00 1.7662E+01 1.4534E+01 H2 33 1.008000 0.423800 -4.0602E+00 1.6127E+01 1.4116E+01 O6 34 15.999400 -0.847600 -1.4802E+01 1.9751E+00 -1.1664E+01 H1 35 1.008000 0.423800 -1.4013E+01 2.5706E+00 -1.1513E+01 H2 36 1.008000 0.423800 -1.4926E+01 1.8274E+00 -1.2645E+01 O6 37 15.999400 -0.847600 1.1524E+01 -3.6215E+00 2.9521E+00 H1 38 1.008000 0.423800 1.2273E+01 -3.7884E+00 3.5935E+00 H2 39 1.008000 0.423800 1.0955E+01 -4.4407E+00 2.8840E+00 O6 40 15.999400 -0.847600 -5.0012E+00 -6.0646E+00 -2.4915E+00 H1 41 1.008000 0.423800 -4.1496E+00 -6.0209E+00 -1.9691E+00 H2 42 1.008000 0.423800 -5.2008E+00 -7.0164E+00 -2.7244E+00 O6 43 15.999400 -0.847600 -6.1594E+00 -3.3343E+00 9.7634E-01 H1 44 1.008000 0.423800 -6.4801E+00 -3.3488E+00 1.9234E+00 H2 45 1.008000 0.423800 -6.0193E+00 -4.2717E+00 6.5758E-01 O6 46 15.999400 -0.847600 -1.0648E+01 1.3357E+01 -1.0714E-01 H1 47 1.008000 0.423800 -1.0976E+01 1.3600E+01 -1.0204E+00 H2 48 1.008000 0.423800 -1.1372E+01 1.3527E+01 5.6216E-01 O6 49 15.999400 -0.847600 -8.6443E+00 1.3787E+01 -1.3680E+01 H1 50 1.008000 0.423800 -8.8071E+00 1.4496E+01 -1.2995E+01 H2 51 1.008000 0.423800 -8.1695E+00 1.4184E+01 -1.4465E+01 O6 52 15.999400 -0.847600 1.6495E+01 -4.1793E+00 -2.9895E+00 H1 53 1.008000 0.423800 1.6138E+01 -3.2469E+00 -2.9354E+00 H2 54 1.008000 0.423800 1.7133E+01 -4.3362E+00 -2.2352E+00 O6 55 15.999400 -0.847600 -1.0136E+01 -8.4912E+00 -1.7920E+01 H1 56 1.008000 0.423800 -1.0726E+01 -7.6883E+00 -1.8004E+01 H2 57 1.008000 0.423800 -1.0679E+01 -9.2731E+00 -1.7613E+01 O6 58 15.999400 -0.847600 8.9348E+00 -1.2749E+01 -1.2812E+01 H1 59 1.008000 0.423800 8.6293E+00 -1.3312E+01 -1.2044E+01 H2 60 1.008000 0.423800 8.8507E+00 -1.3270E+01 -1.3662E+01 O6 61 15.999400 -0.847600 1.9182E+01 -9.3790E+00 1.8789E+01 H1 62 1.008000 0.423800 1.8643E+01 -9.6726E+00 1.8000E+01 H2 63 1.008000 0.423800 -1.9529E+01 -8.4741E+00 1.8611E+01 O6 64 15.999400 -0.847600 -3.6524E-01 -1.6816E+01 5.4712E+00 H1 65 1.008000 0.423800 -1.2067E+00 -1.6436E+01 5.8558E+00 H2 66 1.008000 0.423800 -5.6235E-01 -1.7231E+01 4.5832E+00 O6 67 15.999400 -0.847600 -4.8300E+00 1.8731E+01 6.6993E+00 H1 68 1.008000 0.423800 -4.2256E+00 1.8459E+01 7.4482E+00 H2 69 1.008000 0.423800 -4.4416E+00 1.8425E+01 5.8299E+00 O6 70 15.999400 -0.847600 1.6070E+01 -1.1407E+01 5.8660E+00 H1 71 1.008000 0.423800 1.6022E+01 -1.1672E+01 4.9029E+00 H2 72 1.008000 0.423800 1.5393E+01 -1.0695E+01 6.0497E+00 O6 73 15.999400 -0.847600 -2.6827E+00 -7.8723E+00 1.3218E+00 H1 74 1.008000 0.423800 -2.5266E+00 -7.2437E+00 5.5990E-01 H2 75 1.008000 0.423800 -1.8942E+00 -8.4796E+00 1.4198E+00 O6 76 15.999400 -0.847600 3.7668E+00 1.3241E+01 -9.9013E+00 H1 77 1.008000 0.423800 3.9750E+00 1.2680E+01 -1.0703E+01 H2 78 1.008000 0.423800 4.6095E+00 1.3426E+01 -9.3956E+00 O6 79 15.999400 -0.847600 1.1603E+00 -1.3720E+01 1.3489E+01 H1 80 1.008000 0.423800 1.3185E+00 -1.4664E+01 1.3199E+01 H2 81 1.008000 0.423800 1.9319E+00 -1.3150E+01 1.3206E+01 O6 82 15.999400 -0.847600 -5.5011E+00 -3.6865E+00 -4.0752E+00 H1 83 1.008000 0.423800 -5.4856E+00 -4.3765E+00 -3.3515E+00 H2 84 1.008000 0.423800 -6.4368E+00 -3.5760E+00 -4.4103E+00 O6 85 15.999400 -0.847600 -3.9133E+00 -2.3836E+00 -1.4185E+01 H1 86 1.008000 0.423800 -3.9380E+00 -3.0157E+00 -1.4960E+01 H2 87 1.008000 0.423800 -4.0169E+00 -1.4459E+00 -1.4517E+01 O6 88 15.999400 -0.847600 5.6676E+00 -1.2056E+01 -3.7689E+00 H1 89 1.008000 0.423800 5.1944E+00 -1.1271E+01 -4.1691E+00 H2 90 1.008000 0.423800 4.9988E+00 -1.2755E+01 -3.5168E+00 O6 91 15.999400 -0.847600 -9.8284E+00 -1.6083E+01 -8.7560E+00 H1 92 1.008000 0.423800 -9.5979E+00 -1.5132E+01 -8.5505E+00 H2 93 1.008000 0.423800 -1.0140E+01 -1.6154E+01 -9.7037E+00 O6 94 15.999400 -0.847600 -1.5343E+01 5.5192E+00 3.7824E+00 H1 95 1.008000 0.423800 -1.4869E+01 4.7277E+00 4.1686E+00 H2 96 1.008000 0.423800 -1.6215E+01 5.2268E+00 3.3906E+00 O6 97 15.999400 -0.847600 1.7760E+01 4.9626E+00 1.6548E+01 H1 98 1.008000 0.423800 1.7916E+01 4.8698E+00 1.5565E+01 H2 99 1.008000 0.423800 1.7522E+01 4.0709E+00 1.6933E+01 O6 100 15.999400 -0.847600 3.6722E+00 -1.5093E+01 1.0053E+01 H1 101 1.008000 0.423800 4.4516E+00 -1.4812E+01 9.4934E+00 H2 102 1.008000 0.423800 2.9563E+00 -1.4396E+01 1.0002E+01 O6 103 15.999400 -0.847600 -1.9032E+01 6.7361E+00 -1.0309E+01 H1 104 1.008000 0.423800 -1.8298E+01 7.3299E+00 -1.0639E+01 H2 105 1.008000 0.423800 -1.9357E+01 7.0686E+00 -9.4232E+00 O6 106 15.999400 -0.847600 -7.8866E+00 6.3975E+00 -1.6296E+01 H1 107 1.008000 0.423800 -8.8183E+00 6.1798E+00 -1.6005E+01 H2 108 1.008000 0.423800 -7.8825E+00 6.6031E+00 -1.7275E+01 O6 109 15.999400 -0.847600 -7.2421E+00 -1.6963E+01 7.6366E+00 H1 110 1.008000 0.423800 -6.4032E+00 -1.7220E+01 8.1162E+00 H2 111 1.008000 0.423800 -7.4531E+00 -1.6004E+01 7.8257E+00 O6 112 15.999400 -0.847600 3.5081E+00 -3.7089E+00 5.8158E+00 H1 113 1.008000 0.423800 3.6742E+00 -3.8153E+00 4.8354E+00 H2 114 1.008000 0.423800 3.0192E+00 -4.5105E+00 6.1598E+00 O6 115 15.999400 -0.847600 1.2374E+01 -1.1175E+01 -1.0704E+01 H1 116 1.008000 0.423800 1.2818E+01 -1.2070E+01 -1.0751E+01 H2 117 1.008000 0.423800 1.2592E+01 -1.0740E+01 -9.8305E+00 O6 118 15.999400 -0.847600 2.0611E+00 -6.8916E+00 7.7426E+00 H1 119 1.008000 0.423800 1.0632E+00 -6.8413E+00 7.7832E+00 H2 120 1.008000 0.423800 2.3493E+00 -7.0338E+00 6.7957E+00 O6 121 15.999400 -0.847600 -9.4129E+00 9.9850E+00 -6.8784E-01 H1 122 1.008000 0.423800 -8.7414E+00 9.3097E+00 -9.9301E-01 H2 123 1.008000 0.423800 -1.0210E+01 9.9579E+00 -1.2905E+00 O6 124 15.999400 -0.847600 -1.0903E+00 -1.7883E+01 -1.8367E+01 H1 125 1.008000 0.423800 -1.0807E-01 -1.7720E+01 -1.8460E+01 H2 126 1.008000 0.423800 -1.5067E+00 -1.7939E+01 -1.9274E+01 O6 127 15.999400 -0.847600 -1.5106E+01 -1.4839E+01 -1.7720E+01 H1 128 1.008000 0.423800 -1.4451E+01 -1.5435E+01 -1.7256E+01 H2 129 1.008000 0.423800 -1.4613E+01 -1.4154E+01 -1.8255E+01 O6 130 15.999400 -0.847600 1.4911E+01 -9.6123E+00 -5.0938E+00 H1 131 1.008000 0.423800 1.5658E+01 -9.0610E+00 -5.4644E+00 H2 132 1.008000 0.423800 1.5277E+01 -1.0272E+01 -4.4375E+00 O6 133 15.999400 -0.847600 1.7635E+01 1.3244E+01 9.4503E+00 H1 134 1.008000 0.423800 1.6970E+01 1.2511E+01 9.5937E+00 H2 135 1.008000 0.423800 1.8555E+01 1.2854E+01 9.3977E+00 O6 136 15.999400 -0.847600 -1.8280E+01 1.8313E+00 6.9170E+00 H1 137 1.008000 0.423800 -1.8847E+01 2.1491E+00 7.6771E+00 H2 138 1.008000 0.423800 -1.7810E+01 9.8903E-01 7.1812E+00 O6 139 15.999400 -0.847600 3.8631E+00 1.7186E+01 -1.1681E+01 H1 140 1.008000 0.423800 2.8752E+00 1.7034E+01 -1.1712E+01 H2 141 1.008000 0.423800 4.2678E+00 1.6607E+01 -1.0973E+01 O6 142 15.999400 -0.847600 1.4430E+01 -1.2404E+01 -8.1204E+00 H1 143 1.008000 0.423800 1.3689E+01 -1.1778E+01 -7.8736E+00 H2 144 1.008000 0.423800 1.5234E+01 -1.1876E+01 -8.3947E+00 O6 145 15.999400 -0.847600 -9.5606E+00 -6.2900E-01 7.2418E+00 H1 146 1.008000 0.423800 -9.7346E+00 -1.5746E+00 7.5169E+00 H2 147 1.008000 0.423800 -9.8888E+00 -4.8794E-01 6.3078E+00 O6 148 15.999400 -0.847600 -4.0981E+00 6.5791E+00 -4.5475E+00 H1 149 1.008000 0.423800 -4.6221E+00 7.2442E+00 -4.0155E+00 H2 150 1.008000 0.423800 -4.6153E+00 5.7261E+00 -4.6170E+00 O6 151 15.999400 -0.847600 -1.5223E+01 -1.5304E+01 -8.7666E+00 H1 152 1.008000 0.423800 -1.5533E+01 -1.6069E+01 -9.3318E+00 H2 153 1.008000 0.423800 -1.5849E+01 -1.5183E+01 -7.9965E+00 O6 154 15.999400 -0.847600 1.9008E+01 1.3947E+01 -1.6817E+01 H1 155 1.008000 0.423800 1.8966E+01 1.3074E+01 -1.6332E+01 H2 156 1.008000 0.423800 1.8105E+01 1.4377E+01 -1.6809E+01 O6 157 15.999400 -0.847600 1.3034E+01 -7.8505E+00 -6.3318E+00 H1 158 1.008000 0.423800 1.3597E+01 -7.1296E+00 -6.7359E+00 H2 159 1.008000 0.423800 1.3618E+01 -8.4841E+00 -5.8241E+00 O6 160 15.999400 -0.847600 -1.6155E+01 -1.6695E+00 -1.1011E+01 H1 161 1.008000 0.423800 -1.5402E+01 -1.7445E+00 -1.0358E+01 H2 162 1.008000 0.423800 -1.6675E+01 -8.3550E-01 -1.0826E+01 O6 163 15.999400 -0.847600 1.1796E+00 1.6138E+01 -2.3572E+00 H1 164 1.008000 0.423800 4.4584E-01 1.5549E+01 -2.0195E+00 H2 165 1.008000 0.423800 1.9388E+00 1.5573E+01 -2.6805E+00 O6 166 15.999400 -0.847600 4.1978E+00 1.5385E+01 -1.7769E+01 H1 167 1.008000 0.423800 3.4265E+00 1.5149E+01 -1.8360E+01 H2 168 1.008000 0.423800 4.5779E+00 1.4552E+01 -1.7368E+01 O6 169 15.999400 -0.847600 -2.6869E+00 -1.5560E+01 6.6183E+00 H1 170 1.008000 0.423800 -2.5038E+00 -1.4600E+01 6.8310E+00 H2 171 1.008000 0.423800 -3.2207E+00 -1.5619E+01 5.7748E+00 O6 172 15.999400 -0.847600 -6.3692E+00 1.0909E+01 8.1731E+00 H1 173 1.008000 0.423800 -5.6063E+00 1.1553E+01 8.2309E+00 H2 174 1.008000 0.423800 -7.2219E+00 1.1382E+01 8.3949E+00 O6 175 15.999400 -0.847600 -1.0409E+01 1.6494E+01 -3.5059E-01 H1 176 1.008000 0.423800 -1.1409E+01 1.6509E+01 -3.3057E-01 H2 177 1.008000 0.423800 -1.0084E+01 1.5583E+01 -9.7086E-02 O6 178 15.999400 -0.847600 1.6806E+01 1.2785E+01 1.7542E+00 H1 179 1.008000 0.423800 1.5859E+01 1.2513E+01 1.9194E+00 H2 180 1.008000 0.423800 1.7216E+01 1.2175E+01 1.0764E+00 O6 181 15.999400 -0.847600 1.0040E+01 1.0083E+01 -1.4758E+01 H1 182 1.008000 0.423800 1.0262E+01 1.0513E+01 -1.5633E+01 H2 183 1.008000 0.423800 1.0104E+01 1.0763E+01 -1.4027E+01 O6 184 15.999400 -0.847600 -5.6272E+00 -6.4645E-01 6.5961E+00 H1 185 1.008000 0.423800 -6.0382E+00 -6.9192E-01 7.5066E+00 H2 186 1.008000 0.423800 -4.8159E+00 -1.2303E+00 6.5672E+00 O6 187 15.999400 -0.847600 6.7215E+00 -4.4940E+00 -1.7938E+01 H1 188 1.008000 0.423800 6.1355E+00 -5.2969E+00 -1.7828E+01 H2 189 1.008000 0.423800 7.4443E+00 -4.5118E+00 -1.7247E+01 O6 190 15.999400 -0.847600 -8.9671E+00 -8.7688E+00 1.7439E+01 H1 191 1.008000 0.423800 -8.8416E+00 -9.1415E+00 1.8358E+01 H2 192 1.008000 0.423800 -8.1094E+00 -8.8410E+00 1.6930E+01 O6 193 15.999400 -0.847600 -1.2525E+01 -1.7653E+01 1.2022E+01 H1 194 1.008000 0.423800 -1.1715E+01 -1.7208E+01 1.1640E+01 H2 195 1.008000 0.423800 -1.2301E+01 -1.8593E+01 1.2276E+01 O6 196 15.999400 -0.847600 2.5316E+00 -1.9475E+01 -7.3185E+00 H1 197 1.008000 0.423800 2.9347E+00 1.9133E+01 -6.5455E+00 H2 198 1.008000 0.423800 1.5686E+00 -1.9285E+01 -7.1271E+00 O6 199 15.999400 -0.847600 -5.3831E+00 -8.1310E+00 -8.8498E+00 H1 200 1.008000 0.423800 -5.0804E+00 -8.0996E+00 -7.8972E+00 H2 201 1.008000 0.423800 -5.0730E+00 -8.9838E+00 -9.2701E+00 O6 202 15.999400 -0.847600 -1.8252E+01 6.1690E+00 -1.4036E+01 H1 203 1.008000 0.423800 -1.8221E+01 5.1997E+00 -1.3793E+01 H2 204 1.008000 0.423800 -1.7736E+01 6.6984E+00 -1.3363E+01 O6 205 15.999400 -0.847600 1.2309E+01 -8.2421E+00 8.8025E+00 H1 206 1.008000 0.423800 1.1850E+01 -7.5551E+00 9.3654E+00 H2 207 1.008000 0.423800 1.3291E+01 -8.0546E+00 8.7833E+00 O6 208 15.999400 -0.847600 1.4246E+01 3.9615E+00 -7.1383E+00 H1 209 1.008000 0.423800 1.4090E+01 3.2514E+00 -6.4515E+00 H2 210 1.008000 0.423800 1.3496E+01 4.6224E+00 -7.1101E+00 O6 211 15.999400 -0.847600 3.8052E-01 1.7357E+01 1.3598E+00 H1 212 1.008000 0.423800 7.5892E-01 1.6617E+01 1.9151E+00 H2 213 1.008000 0.423800 1.0266E+00 1.8120E+01 1.3370E+00 O6 214 15.999400 -0.847600 1.5347E+00 -8.0893E+00 -5.3439E+00 H1 215 1.008000 0.423800 1.5314E+00 -8.9707E+00 -5.8164E+00 H2 216 1.008000 0.423800 1.3618E+00 -7.3573E+00 -6.0029E+00 O6 217 15.999400 -0.847600 -1.8550E+01 -1.0803E+01 -6.9454E+00 H1 218 1.008000 0.423800 -1.8080E+01 -1.1475E+01 -7.5167E+00 H2 219 1.008000 0.423800 -1.7875E+01 -1.0247E+01 -6.4609E+00 O6 220 15.999400 -0.847600 5.0476E+00 -2.4488E+00 1.1324E+01 H1 221 1.008000 0.423800 4.7628E+00 -1.7786E+00 1.0638E+01 H2 222 1.008000 0.423800 4.2884E+00 -3.0698E+00 1.1518E+01 O6 223 15.999400 -0.847600 3.9094E+00 1.8965E+01 1.4331E+01 H1 224 1.008000 0.423800 4.8749E+00 1.8728E+01 1.4440E+01 H2 225 1.008000 0.423800 3.6557E+00 1.8896E+01 1.3366E+01 O6 226 15.999400 -0.847600 -1.4613E+01 1.4171E+01 1.1896E+01 H1 227 1.008000 0.423800 -1.4031E+01 1.4050E+01 1.2701E+01 H2 228 1.008000 0.423800 -1.5568E+01 1.4019E+01 1.2150E+01 O6 229 15.999400 -0.847600 -2.5931E+00 1.5166E+01 -9.0413E+00 H1 230 1.008000 0.423800 -2.9932E+00 1.6032E+01 -9.3417E+00 H2 231 1.008000 0.423800 -3.1572E+00 1.4772E+01 -8.3156E+00 O6 232 15.999400 -0.847600 -1.2710E+01 -8.1629E-01 -1.6015E+01 H1 233 1.008000 0.423800 -1.2995E+01 -1.7249E+00 -1.5710E+01 H2 234 1.008000 0.423800 -1.2253E+01 -8.9041E-01 -1.6902E+01 O6 235 15.999400 -0.847600 1.3588E+01 -1.2449E+01 -4.1956E+00 H1 236 1.008000 0.423800 1.4573E+01 -1.2277E+01 -4.1567E+00 H2 237 1.008000 0.423800 1.3133E+01 -1.1944E+01 -3.4627E+00 O6 238 15.999400 -0.847600 1.2366E+01 -1.0198E+01 1.0685E+01 H1 239 1.008000 0.423800 1.3316E+01 -1.0178E+01 1.0999E+01 H2 240 1.008000 0.423800 1.2180E+01 -9.3823E+00 1.0137E+01 O6 241 15.999400 -0.847600 -1.3698E+01 -3.2842E+00 1.7707E+01 H1 242 1.008000 0.423800 -1.4675E+01 -3.3193E+00 1.7920E+01 H2 243 1.008000 0.423800 -1.3468E+01 -2.3804E+00 1.7346E+01 O6 244 15.999400 -0.847600 -1.5220E+01 -1.8899E+01 1.5622E+01 H1 245 1.008000 0.423800 -1.5973E+01 -1.8717E+01 1.4990E+01 H2 246 1.008000 0.423800 -1.4506E+01 -1.8210E+01 1.5497E+01 O6 247 15.999400 -0.847600 1.2864E+00 -7.3832E+00 4.0221E-01 H1 248 1.008000 0.423800 8.0395E-01 -8.0284E+00 9.9472E-01 H2 249 1.008000 0.423800 1.5001E+00 -7.8261E+00 -4.6850E-01 O6 250 15.999400 -0.847600 -3.5090E+00 1.1050E+01 -1.0714E+01 H1 251 1.008000 0.423800 -3.8190E+00 1.0338E+01 -1.1345E+01 H2 252 1.008000 0.423800 -3.5955E+00 1.0722E+01 -9.7733E+00 O6 253 15.999400 -0.847600 4.5229E+00 5.8358E-01 -1.0904E+01 H1 254 1.008000 0.423800 4.8415E+00 6.5805E-01 -9.9593E+00 H2 255 1.008000 0.423800 4.5570E+00 -3.7321E-01 -1.1193E+01 O6 256 15.999400 -0.847600 1.0338E+01 1.5361E+01 1.1811E+01 H1 257 1.008000 0.423800 1.1274E+01 1.5544E+01 1.1509E+01 H2 258 1.008000 0.423800 9.9833E+00 1.4558E+01 1.1332E+01 O6 259 15.999400 -0.847600 -7.6680E-01 1.2797E+01 2.6142E+00 H1 260 1.008000 0.423800 -1.4878E+00 1.3489E+01 2.6621E+00 H2 261 1.008000 0.423800 -4.7653E-01 1.2684E+01 1.6640E+00 O6 262 15.999400 -0.847600 -2.1438E+00 -4.3149E+00 2.6949E+00 H1 263 1.008000 0.423800 -2.0037E+00 -4.3055E+00 1.7048E+00 H2 264 1.008000 0.423800 -2.9179E+00 -3.7262E+00 2.9275E+00 O6 265 15.999400 -0.847600 1.3352E+01 3.3406E+00 -1.2248E+01 H1 266 1.008000 0.423800 1.2504E+01 3.0471E+00 -1.1806E+01 H2 267 1.008000 0.423800 1.3821E+01 4.0010E+00 -1.1662E+01 O6 268 15.999400 -0.847600 -4.6983E-01 -2.5658E+00 4.1181E+00 H1 269 1.008000 0.423800 2.9439E-01 -2.1141E+00 3.6577E+00 H2 270 1.008000 0.423800 -9.6763E-01 -3.1315E+00 3.4607E+00 O6 271 15.999400 -0.847600 -9.9085E-02 -5.1879E-01 -1.4116E+01 H1 272 1.008000 0.423800 6.4703E-01 -1.2506E-01 -1.4653E+01 H2 273 1.008000 0.423800 2.0943E-01 -1.3695E+00 -1.3691E+01 O6 274 15.999400 -0.847600 -5.4664E+00 -1.0112E+01 4.8379E-01 H1 275 1.008000 0.423800 -6.3380E+00 -9.6344E+00 5.9344E-01 H2 276 1.008000 0.423800 -4.8760E+00 -9.5914E+00 -1.3257E-01 O6 277 15.999400 -0.847600 -2.0875E+00 3.5116E+00 -1.3417E+01 H1 278 1.008000 0.423800 -1.5262E+00 3.5315E+00 -1.4245E+01 H2 279 1.008000 0.423800 -2.0199E+00 2.6098E+00 -1.2990E+01 O6 280 15.999400 -0.847600 2.5354E+00 7.7305E-01 1.1026E+01 H1 281 1.008000 0.423800 2.1071E+00 1.6765E+00 1.1043E+01 H2 282 1.008000 0.423800 2.9569E+00 5.8718E-01 1.1914E+01 O6 283 15.999400 -0.847600 4.0557E+00 5.3705E-01 1.3389E+01 H1 284 1.008000 0.423800 4.8889E+00 -1.5891E-02 1.3384E+01 H2 285 1.008000 0.423800 3.4395E+00 2.0469E-01 1.4103E+01 O6 286 15.999400 -0.847600 -3.4592E+00 -3.8926E+00 1.3795E+01 H1 287 1.008000 0.423800 -3.7050E+00 -3.9850E+00 1.4760E+01 H2 288 1.008000 0.423800 -2.6576E+00 -4.4576E+00 1.3600E+01 O6 289 15.999400 -0.847600 -2.0279E+00 -9.0745E+00 -5.4121E+00 H1 290 1.008000 0.423800 -1.8244E+00 -8.2051E+00 -4.9618E+00 H2 291 1.008000 0.423800 -3.0159E+00 -9.1597E+00 -5.5412E+00 O6 292 15.999400 -0.847600 -4.8987E+00 -5.6802E+00 1.0840E+00 H1 293 1.008000 0.423800 -4.5581E+00 -5.9993E+00 1.9684E+00 H2 294 1.008000 0.423800 -4.1855E+00 -5.1521E+00 6.2306E-01 O6 295 15.999400 -0.847600 1.9527E+01 1.5279E+01 2.4158E-01 H1 296 1.008000 0.423800 -1.8830E+01 1.4707E+01 5.9345E-01 H2 297 1.008000 0.423800 1.9077E+01 1.5747E+01 1.0023E+00 O6 298 15.999400 -0.847600 9.4808E+00 -1.6354E+01 -1.4180E+01 H1 299 1.008000 0.423800 1.0415E+01 -1.6094E+01 -1.3934E+01 H2 300 1.008000 0.423800 8.8823E+00 -1.6234E+01 -1.3387E+01 O6 301 15.999400 -0.847600 8.4826E+00 -3.3552E+00 -1.5606E+01 H1 302 1.008000 0.423800 8.8734E+00 -2.4377E+00 -1.5531E+01 H2 303 1.008000 0.423800 9.2102E+00 -4.0355E+00 -1.5519E+01 O6 304 15.999400 -0.847600 1.2026E+01 -8.8966E+00 1.7895E+00 H1 305 1.008000 0.423800 1.2582E+01 -9.5649E+00 2.2837E+00 H2 306 1.008000 0.423800 1.2607E+01 -8.1445E+00 1.4784E+00 O6 307 15.999400 -0.847600 3.1607E-01 -1.2070E+01 1.8958E+01 H1 308 1.008000 0.423800 1.1087E+00 -1.2196E+01 -1.9544E+01 H2 309 1.008000 0.423800 5.5337E-02 -1.2950E+01 1.8559E+01 O6 310 15.999400 -0.847600 9.2494E+00 -9.0408E+00 -4.1225E+00 H1 311 1.008000 0.423800 1.0058E+01 -8.8363E+00 -3.5705E+00 H2 312 1.008000 0.423800 9.1640E+00 -1.0031E+01 -4.2343E+00 O6 313 15.999400 -0.847600 -1.3680E+01 -8.5906E+00 4.6541E+00 H1 314 1.008000 0.423800 -1.4223E+01 -9.3678E+00 4.9724E+00 H2 315 1.008000 0.423800 -1.2708E+01 -8.8090E+00 4.7328E+00 O6 316 15.999400 -0.847600 -6.3830E-01 -1.6553E+01 -7.1377E+00 H1 317 1.008000 0.423800 -3.6693E-01 -1.7511E+01 -7.0495E+00 H2 318 1.008000 0.423800 -1.2249E+00 -1.6301E+01 -6.3682E+00 O6 319 15.999400 -0.847600 1.1805E+01 -2.2189E+00 -1.4957E+01 H1 320 1.008000 0.423800 1.2124E+01 -2.5584E+00 -1.5842E+01 H2 321 1.008000 0.423800 1.1516E+01 -2.9895E+00 -1.4389E+01 O6 322 15.999400 -0.847600 1.8469E+01 8.9335E+00 -1.6242E+01 H1 323 1.008000 0.423800 1.8311E+01 8.0244E+00 -1.5856E+01 H2 324 1.008000 0.423800 1.9432E+01 9.0263E+00 -1.6493E+01 O6 325 15.999400 -0.847600 3.1643E+00 -7.0588E+00 -1.5684E+01 H1 326 1.008000 0.423800 3.6638E+00 -6.5501E+00 -1.4983E+01 H2 327 1.008000 0.423800 2.1919E+00 -6.8317E+00 -1.5631E+01 O6 328 15.999400 -0.847600 8.4820E+00 1.5319E+01 -1.0328E+01 H1 329 1.008000 0.423800 8.4399E+00 1.5753E+01 -1.1228E+01 H2 330 1.008000 0.423800 9.3876E+00 1.5466E+01 -9.9297E+00 O6 331 15.999400 -0.847600 1.7405E+01 -3.2439E+00 -1.0746E+01 H1 332 1.008000 0.423800 1.7053E+01 -4.1794E+00 -1.0723E+01 H2 333 1.008000 0.423800 1.7396E+01 -2.9074E+00 -1.1687E+01 O6 334 15.999400 -0.847600 -1.8617E+01 -1.6932E+01 -6.8854E+00 H1 335 1.008000 0.423800 -1.9254E+01 -1.7306E+01 -7.5598E+00 H2 336 1.008000 0.423800 -1.9132E+01 -1.6536E+01 -6.1251E+00 O6 337 15.999400 -0.847600 1.1419E+00 -3.5117E+00 1.8543E+01 H1 338 1.008000 0.423800 2.0044E+00 -3.5708E+00 1.9046E+01 H2 339 1.008000 0.423800 1.1907E+00 -2.7606E+00 1.7885E+01 O6 340 15.999400 -0.847600 1.8767E+00 4.8765E-01 -1.5811E+01 H1 341 1.008000 0.423800 2.3906E+00 1.3047E+00 -1.5549E+01 H2 342 1.008000 0.423800 2.5030E+00 -1.9234E-01 -1.6192E+01 O6 343 15.999400 -0.847600 2.8515E+00 1.4514E+01 7.4536E-01 H1 344 1.008000 0.423800 3.0033E+00 1.5355E+01 2.2636E-01 H2 345 1.008000 0.423800 3.7008E+00 1.4244E+01 1.1994E+00 O6 346 15.999400 -0.847600 1.6347E+01 -1.2113E+01 -4.2915E+00 H1 347 1.008000 0.423800 1.6552E+01 -1.2606E+01 -5.1370E+00 H2 348 1.008000 0.423800 1.7139E+01 -1.2155E+01 -3.6813E+00 O6 349 15.999400 -0.847600 3.3893E+00 -1.2088E+01 1.3076E+01 H1 350 1.008000 0.423800 4.3605E+00 -1.2317E+01 1.3143E+01 H2 351 1.008000 0.423800 3.2858E+00 -1.1202E+01 1.2624E+01 O6 352 15.999400 -0.847600 -1.9244E+01 -1.0047E+01 -1.1408E+01 H1 353 1.008000 0.423800 1.9509E+01 -1.0972E+01 -1.1244E+01 H2 354 1.008000 0.423800 -1.8338E+01 -9.9509E+00 -1.0996E+01 O6 355 15.999400 -0.847600 -1.7283E+01 -9.3899E+00 -1.6850E+01 H1 356 1.008000 0.423800 -1.7818E+01 -8.7266E+00 -1.7374E+01 H2 357 1.008000 0.423800 -1.7891E+01 -9.9033E+00 -1.6244E+01 O6 358 15.999400 -0.847600 -4.2865E+00 1.7450E+01 9.3568E+00 H1 359 1.008000 0.423800 -3.4702E+00 1.7087E+01 8.9073E+00 H2 360 1.008000 0.423800 -4.9576E+00 1.6717E+01 9.4707E+00 O6 361 15.999400 -0.847600 -1.3479E+01 -5.6210E+00 3.6375E+00 H1 362 1.008000 0.423800 -1.3647E+01 -6.5627E+00 3.9293E+00 H2 363 1.008000 0.423800 -1.4204E+01 -5.3320E+00 3.0117E+00 O6 364 15.999400 -0.847600 1.0877E+01 2.5893E+00 -1.0985E+01 H1 365 1.008000 0.423800 1.0221E+01 2.3161E+00 -1.1688E+01 H2 366 1.008000 0.423800 1.0780E+01 3.5672E+00 -1.0800E+01 O6 367 15.999400 -0.847600 4.5121E+00 4.2278E-01 -5.3211E+00 H1 368 1.008000 0.423800 3.6120E+00 2.3839E-01 -5.7159E+00 H2 369 1.008000 0.423800 4.8185E+00 1.3328E+00 -5.6005E+00 O6 370 15.999400 -0.847600 1.5802E+01 1.4044E+01 -1.5918E+00 H1 371 1.008000 0.423800 1.5425E+01 1.4751E+01 -9.9377E-01 H2 372 1.008000 0.423800 1.6714E+01 1.3787E+01 -1.2704E+00 O6 373 15.999400 -0.847600 1.2166E+01 -1.1377E+01 -1.4284E+01 H1 374 1.008000 0.423800 1.1529E+01 -1.1579E+01 -1.5029E+01 H2 375 1.008000 0.423800 1.1691E+01 -1.0865E+01 -1.3569E+01 O6 376 15.999400 -0.847600 -1.0862E+01 1.7940E+01 1.9453E+01 H1 377 1.008000 0.423800 -1.1728E+01 1.7679E+01 1.9026E+01 H2 378 1.008000 0.423800 -1.0778E+01 1.7486E+01 -1.8757E+01 O6 379 15.999400 -0.847600 -1.6244E+01 1.0064E+00 1.7774E+01 H1 380 1.008000 0.423800 -1.5767E+01 9.1708E-01 1.6899E+01 H2 381 1.008000 0.423800 -1.6514E+01 1.9594E+00 1.7911E+01 O6 382 15.999400 -0.847600 4.0541E+00 7.1097E+00 -1.7069E+01 H1 383 1.008000 0.423800 3.1655E+00 6.7082E+00 -1.7292E+01 H2 384 1.008000 0.423800 4.0085E+00 8.1024E+00 -1.7181E+01 O6 385 15.999400 -0.847600 2.6857E+00 -1.5096E+01 1.9486E+01 H1 386 1.008000 0.423800 2.6847E+00 -1.4956E+01 1.8495E+01 H2 387 1.008000 0.423800 2.1356E+00 -1.5901E+01 -1.9389E+01 O6 388 15.999400 -0.847600 -9.7226E+00 1.5939E+01 1.2934E+01 H1 389 1.008000 0.423800 -9.6655E+00 1.5041E+01 1.3370E+01 H2 390 1.008000 0.423800 -9.7207E+00 1.6652E+01 1.3636E+01 O6 391 15.999400 -0.847600 -9.9498E+00 1.8656E+00 -1.2122E+01 H1 392 1.008000 0.423800 -1.0775E+01 1.5125E+00 -1.2563E+01 H2 393 1.008000 0.423800 -9.2032E+00 1.2109E+00 -1.2240E+01 O6 394 15.999400 -0.847600 -1.0379E+01 -9.0808E+00 -1.3823E+01 H1 395 1.008000 0.423800 -1.0136E+01 -1.0041E+01 -1.3966E+01 H2 396 1.008000 0.423800 -1.1348E+01 -9.0131E+00 -1.3588E+01 O6 397 15.999400 -0.847600 1.3581E+01 -1.3509E+01 1.5240E+01 H1 398 1.008000 0.423800 1.4230E+01 -1.4252E+01 1.5079E+01 H2 399 1.008000 0.423800 1.2915E+01 -1.3481E+01 1.4494E+01 O6 400 15.999400 -0.847600 7.2101E+00 -2.4561E+00 -2.8002E-01 H1 401 1.008000 0.423800 7.3558E+00 -2.0145E+00 -1.1654E+00 H2 402 1.008000 0.423800 8.0754E+00 -2.8326E+00 5.0953E-02 O6 403 15.999400 -0.847600 2.7184E+00 1.1857E+01 -3.7509E+00 H1 404 1.008000 0.423800 2.4226E+00 1.1167E+01 -4.4113E+00 H2 405 1.008000 0.423800 2.1338E+00 1.1816E+01 -2.9407E+00 O6 406 15.999400 -0.847600 9.4607E-01 -1.7741E+01 9.7573E-01 H1 407 1.008000 0.423800 7.7781E-02 -1.7811E+01 1.4667E+00 H2 408 1.008000 0.423800 1.2151E+00 -1.6780E+01 9.1135E-01 O6 409 15.999400 -0.847600 -1.8367E+01 1.9026E+01 3.6364E+00 H1 410 1.008000 0.423800 -1.7863E+01 1.8274E+01 4.0607E+00 H2 411 1.008000 0.423800 -1.8608E+01 -1.9396E+01 4.3336E+00 O6 412 15.999400 -0.847600 -1.4825E+01 -5.0995E+00 -1.4125E+01 H1 413 1.008000 0.423800 -1.5785E+01 -5.3542E+00 -1.4245E+01 H2 414 1.008000 0.423800 -1.4521E+01 -4.5624E+00 -1.4912E+01 O6 415 15.999400 -0.847600 -1.2353E+01 4.6439E+00 -4.6927E+00 H1 416 1.008000 0.423800 -1.1987E+01 5.5745E+00 -4.7053E+00 H2 417 1.008000 0.423800 -1.1605E+01 3.9936E+00 -4.5600E+00 O6 418 15.999400 -0.847600 -1.6527E+01 -6.7414E+00 1.7972E+01 H1 419 1.008000 0.423800 -1.5765E+01 -7.0589E+00 1.8536E+01 H2 420 1.008000 0.423800 -1.6644E+01 -7.3573E+00 1.7192E+01 O6 421 15.999400 -0.847600 4.5648E+00 1.6993E+01 -1.4412E+01 H1 422 1.008000 0.423800 4.3920E+00 1.6875E+01 -1.3434E+01 H2 423 1.008000 0.423800 3.7983E+00 1.7481E+01 -1.4830E+01 O6 424 15.999400 -0.847600 7.4790E-01 -1.5192E+01 -9.1914E-01 H1 425 1.008000 0.423800 1.0046E+00 -1.5039E+01 3.5191E-02 H2 426 1.008000 0.423800 1.5192E+00 -1.4963E+01 -1.5126E+00 O6 427 15.999400 -0.847600 1.5818E+01 -1.8582E+01 -7.7413E+00 H1 428 1.008000 0.423800 1.5622E+01 -1.9345E+01 -8.3574E+00 H2 429 1.008000 0.423800 1.5596E+01 -1.7720E+01 -8.1966E+00 O6 430 15.999400 -0.847600 -1.4995E-02 -4.3752E+00 -2.9376E+00 H1 431 1.008000 0.423800 6.9147E-01 -4.6604E+00 -2.2898E+00 H2 432 1.008000 0.423800 -5.8997E-01 -3.6739E+00 -2.5162E+00 O6 433 15.999400 -0.847600 -1.9427E+01 1.2715E+00 -8.4738E+00 H1 434 1.008000 0.423800 1.9177E+01 5.4219E-01 -8.9479E+00 H2 435 1.008000 0.423800 1.9467E+01 2.1487E+00 -8.9088E+00 O6 436 15.999400 -0.847600 3.0403E+00 -8.3055E+00 9.6629E+00 H1 437 1.008000 0.423800 2.7179E+00 -7.8694E+00 8.8228E+00 H2 438 1.008000 0.423800 3.2644E+00 -7.6029E+00 1.0338E+01 O6 439 15.999400 -0.847600 8.4730E+00 -6.7487E+00 8.4399E+00 H1 440 1.008000 0.423800 8.1946E+00 -7.6208E+00 8.0375E+00 H2 441 1.008000 0.423800 8.2955E+00 -6.0099E+00 7.7899E+00 O6 442 15.999400 -0.847600 8.6050E+00 7.9024E+00 1.6451E+01 H1 443 1.008000 0.423800 9.0264E+00 8.3883E+00 1.7217E+01 H2 444 1.008000 0.423800 9.2925E+00 7.3355E+00 1.5997E+01 O6 445 15.999400 -0.847600 -7.5410E+00 3.8315E+00 4.6362E+00 H1 446 1.008000 0.423800 -6.9487E+00 4.5440E+00 5.0124E+00 H2 447 1.008000 0.423800 -7.7769E+00 4.0587E+00 3.6914E+00 O6 448 15.999400 -0.847600 1.7877E+01 -1.8756E+01 7.8976E+00 H1 449 1.008000 0.423800 1.7311E+01 -1.7942E+01 7.7678E+00 H2 450 1.008000 0.423800 1.8665E+01 -1.8715E+01 7.2825E+00 O6 451 15.999400 -0.847600 -9.5829E-01 -9.1075E+00 1.5677E+01 H1 452 1.008000 0.423800 -3.1609E-01 -9.3393E+00 1.6407E+01 H2 453 1.008000 0.423800 -1.7005E+00 -9.7774E+00 1.5660E+01 O6 454 15.999400 -0.847600 -6.2371E+00 5.4750E+00 -1.1504E+01 H1 455 1.008000 0.423800 -5.9060E+00 5.1415E+00 -1.2387E+01 H2 456 1.008000 0.423800 -6.7647E+00 6.3134E+00 -1.1641E+01 O6 457 15.999400 -0.847600 -5.5082E+00 -1.0075E+01 -1.5199E+01 H1 458 1.008000 0.423800 -5.1636E+00 -9.4562E+00 -1.4494E+01 H2 459 1.008000 0.423800 -5.3453E+00 -9.6762E+00 -1.6102E+01 O6 460 15.999400 -0.847600 -4.1076E+00 -1.7640E+01 2.6098E+00 H1 461 1.008000 0.423800 -4.5548E+00 -1.8509E+01 2.8229E+00 H2 462 1.008000 0.423800 -4.5008E+00 -1.7259E+01 1.7730E+00 O6 463 15.999400 -0.847600 -1.9675E+00 -1.7894E+01 1.8093E+01 H1 464 1.008000 0.423800 -2.9357E+00 -1.7832E+01 1.7850E+01 H2 465 1.008000 0.423800 -1.4548E+00 -1.8276E+01 1.7324E+01 O6 466 15.999400 -0.847600 1.5245E+01 -4.8151E+00 2.6937E+00 H1 467 1.008000 0.423800 1.4564E+01 -4.6432E+00 3.4058E+00 H2 468 1.008000 0.423800 1.4793E+01 -4.8497E+00 1.8022E+00 O6 469 15.999400 -0.847600 -1.6381E+01 -1.5917E+01 2.2908E+00 H1 470 1.008000 0.423800 -1.5749E+01 -1.6302E+01 2.9638E+00 H2 471 1.008000 0.423800 -1.7133E+01 -1.6557E+01 2.1346E+00 O6 472 15.999400 -0.847600 -1.3160E+01 -8.3132E+00 -3.6075E+00 H1 473 1.008000 0.423800 -1.2894E+01 -8.5851E+00 -4.5323E+00 H2 474 1.008000 0.423800 -1.3160E+01 -7.3154E+00 -3.5406E+00 O6 475 15.999400 -0.847600 -9.3760E-01 1.2458E+01 -9.3424E+00 H1 476 1.008000 0.423800 -1.3958E+00 1.2732E+01 -1.0188E+01 H2 477 1.008000 0.423800 -1.0681E-01 1.3001E+01 -9.2222E+00 O6 478 15.999400 -0.847600 1.5267E+01 -9.8906E+00 1.1515E+01 H1 479 1.008000 0.423800 1.5082E+01 -9.3216E+00 1.2316E+01 H2 480 1.008000 0.423800 1.6024E+01 -9.4961E+00 1.0993E+01 O6 481 15.999400 -0.847600 -1.4372E+01 1.5383E+01 8.7757E-01 H1 482 1.008000 0.423800 -1.4416E+01 1.5124E+01 -8.7331E-02 H2 483 1.008000 0.423800 -1.3773E+01 1.4748E+01 1.3661E+00 O6 484 15.999400 -0.847600 9.4191E+00 5.3527E+00 -8.6108E+00 H1 485 1.008000 0.423800 9.7231E+00 5.5550E+00 -9.5418E+00 H2 486 1.008000 0.423800 8.6360E+00 4.7317E+00 -8.6435E+00 O6 487 15.999400 -0.847600 5.4278E-01 -4.0608E+00 9.9258E+00 H1 488 1.008000 0.423800 1.3534E+00 -4.1530E+00 9.3475E+00 H2 489 1.008000 0.423800 4.9340E-01 -3.1285E+00 1.0284E+01 O6 490 15.999400 -0.847600 -1.0544E+01 -1.3646E+01 -5.6946E+00 H1 491 1.008000 0.423800 -1.0472E+01 -1.4561E+01 -5.2981E+00 H2 492 1.008000 0.423800 -9.9293E+00 -1.3574E+01 -6.4801E+00 O6 493 15.999400 -0.847600 -1.4103E+01 -1.0662E+01 -1.0347E+01 H1 494 1.008000 0.423800 -1.3302E+01 -1.0434E+01 -9.7948E+00 H2 495 1.008000 0.423800 -1.4240E+01 -1.1653E+01 -1.0343E+01 O6 496 15.999400 -0.847600 -7.3190E+00 -1.0439E+01 -2.2329E+00 H1 497 1.008000 0.423800 -7.7642E+00 -9.5879E+00 -1.9531E+00 H2 498 1.008000 0.423800 -7.9278E+00 -1.0949E+01 -2.8401E+00 O6 499 15.999400 -0.847600 -1.0248E+01 -1.8674E+01 -7.3709E+00 H1 500 1.008000 0.423800 -1.0974E+01 -1.9352E+01 -7.4823E+00 H2 501 1.008000 0.423800 -1.0197E+01 -1.8103E+01 -8.1904E+00 O6 502 15.999400 -0.847600 -1.6258E+01 1.2137E+01 -8.3996E-01 H1 503 1.008000 0.423800 -1.6312E+01 1.1536E+01 -4.2339E-02 H2 504 1.008000 0.423800 -1.6976E+01 1.2830E+01 -7.8419E-01 O6 505 15.999400 -0.847600 -1.1862E+01 -5.3265E+00 8.8617E+00 H1 506 1.008000 0.423800 -1.1897E+01 -5.2953E+00 9.8607E+00 H2 507 1.008000 0.423800 -1.2450E+01 -4.6105E+00 8.4852E+00 O6 508 15.999400 -0.847600 1.7966E+01 -8.9436E-01 -3.3268E+00 H1 509 1.008000 0.423800 1.8170E+01 -1.8475E+00 -3.5504E+00 H2 510 1.008000 0.423800 1.8049E+01 -3.3378E-01 -4.1508E+00 O6 511 15.999400 -0.847600 -5.1415E-01 -5.8545E+00 1.8695E+01 H1 512 1.008000 0.423800 -5.4874E-03 -5.0251E+00 1.8464E+01 H2 513 1.008000 0.423800 -1.1280E-04 -6.3834E+00 1.9370E+01 O6 514 15.999400 -0.847600 1.8529E+01 1.1839E+01 3.9249E+00 H1 515 1.008000 0.423800 1.8221E+01 1.0992E+01 4.3580E+00 H2 516 1.008000 0.423800 1.7813E+01 1.2182E+01 3.3164E+00 O6 517 15.999400 -0.847600 7.1772E+00 -1.6802E+01 8.0420E+00 H1 518 1.008000 0.423800 6.6968E+00 -1.7677E+01 7.9938E+00 H2 519 1.008000 0.423800 7.9432E+00 -1.6876E+01 8.6804E+00 O6 520 15.999400 -0.847600 3.7153E+00 1.1890E+01 -1.2097E+01 H1 521 1.008000 0.423800 3.2199E+00 1.1086E+01 -1.1767E+01 H2 522 1.008000 0.423800 3.1202E+00 1.2425E+01 -1.2696E+01 O6 523 15.999400 -0.847600 -1.0770E+01 -1.9259E+01 1.6374E+01 H1 524 1.008000 0.423800 -9.7803E+00 -1.9398E+01 1.6417E+01 H2 525 1.008000 0.423800 -1.1013E+01 -1.8434E+01 1.6885E+01 O6 526 15.999400 -0.847600 -9.8788E-02 1.7183E+00 -1.7553E+01 H1 527 1.008000 0.423800 -6.1722E-02 1.3115E+00 -1.8466E+01 H2 528 1.008000 0.423800 7.7775E-01 1.5818E+00 -1.7092E+01 O6 529 15.999400 -0.847600 -1.7593E+01 1.8217E+01 5.6922E-01 H1 530 1.008000 0.423800 -1.8133E+01 1.8287E+01 1.4086E+00 H2 531 1.008000 0.423800 -1.6872E+01 1.8909E+01 5.7769E-01 O6 532 15.999400 -0.847600 -3.0239E+00 1.9467E+00 -5.8109E+00 H1 533 1.008000 0.423800 -2.6111E+00 2.4599E+00 -5.0584E+00 H2 534 1.008000 0.423800 -3.6182E+00 1.2327E+00 -5.4408E+00 O6 535 15.999400 -0.847600 -1.7667E+01 7.5283E+00 -1.8547E+01 H1 536 1.008000 0.423800 -1.6729E+01 7.6289E+00 -1.8877E+01 H2 537 1.008000 0.423800 -1.7741E+01 6.6937E+00 -1.8001E+01 O6 538 15.999400 -0.847600 -1.3770E+00 -2.7666E+00 -1.4158E+00 H1 539 1.008000 0.423800 -2.1113E+00 -2.1834E+00 -1.7632E+00 H2 540 1.008000 0.423800 -1.0470E+00 -2.4035E+00 -5.4447E-01 O6 541 15.999400 -0.847600 1.6179E+01 -4.9343E+00 1.0357E+01 H1 542 1.008000 0.423800 1.6594E+01 -5.6825E+00 1.0875E+01 H2 543 1.008000 0.423800 1.5621E+01 -5.3102E+00 9.6174E+00 O6 544 15.999400 -0.847600 -1.3612E+01 -1.1207E+01 -1.6127E-01 H1 545 1.008000 0.423800 -1.2707E+01 -1.1062E+01 -5.6079E-01 H2 546 1.008000 0.423800 -1.3836E+01 -1.0443E+01 4.4326E-01 O6 547 15.999400 -0.847600 -1.9162E+01 3.5219E+00 7.9937E-01 H1 548 1.008000 0.423800 1.9185E+01 2.9172E+00 1.0664E+00 H2 549 1.008000 0.423800 -1.8332E+01 2.9816E+00 6.5891E-01 O6 550 15.999400 -0.847600 -5.9004E+00 -1.8657E+00 -2.3038E+00 H1 551 1.008000 0.423800 -5.7671E+00 -2.5308E+00 -3.0386E+00 H2 552 1.008000 0.423800 -6.7595E+00 -2.0601E+00 -1.8303E+00 O6 553 15.999400 -0.847600 1.7054E+01 -1.5575E+01 -2.1775E+00 H1 554 1.008000 0.423800 1.6661E+01 -1.5997E+01 -2.9947E+00 H2 555 1.008000 0.423800 1.6593E+01 -1.5931E+01 -1.3645E+00 O6 556 15.999400 -0.847600 9.2334E+00 3.5806E+00 9.0561E+00 H1 557 1.008000 0.423800 8.3637E+00 3.2170E+00 8.7224E+00 H2 558 1.008000 0.423800 9.4233E+00 4.4542E+00 8.6082E+00 O6 559 15.999400 -0.847600 -6.9575E+00 -1.5286E+01 5.2647E+00 H1 560 1.008000 0.423800 -5.9892E+00 -1.5349E+01 5.0230E+00 H2 561 1.008000 0.423800 -7.1713E+00 -1.5968E+01 5.9643E+00 O6 562 15.999400 -0.847600 -9.5670E+00 8.2609E-02 1.1194E+01 H1 563 1.008000 0.423800 -1.0200E+01 8.5194E-01 1.1279E+01 H2 564 1.008000 0.423800 -8.8503E+00 1.6330E-01 1.1887E+01 O6 565 15.999400 -0.847600 -1.6709E+01 1.1611E+01 -1.9036E+01 H1 566 1.008000 0.423800 -1.7520E+01 1.2190E+01 -1.8950E+01 H2 567 1.008000 0.423800 -1.6408E+01 1.1598E+01 1.9108E+01 O6 568 15.999400 -0.847600 3.5693E+00 -3.5216E+00 -1.9281E+01 H1 569 1.008000 0.423800 4.2476E+00 -2.9391E+00 1.9369E+01 H2 570 1.008000 0.423800 4.0217E+00 -4.3287E+00 -1.8901E+01 O6 571 15.999400 -0.847600 -1.8297E+01 1.9530E+01 9.5140E+00 H1 572 1.008000 0.423800 -1.7811E+01 -1.9024E+01 8.8294E+00 H2 573 1.008000 0.423800 -1.8663E+01 -1.8963E+01 1.0221E+01 O6 574 15.999400 -0.847600 1.1507E+01 7.6114E+00 1.2018E+01 H1 575 1.008000 0.423800 1.2354E+01 7.9340E+00 1.2439E+01 H2 576 1.008000 0.423800 1.1402E+01 8.0312E+00 1.1116E+01 O6 577 15.999400 -0.847600 1.0543E+01 -2.3232E+00 1.4565E+01 H1 578 1.008000 0.423800 1.0296E+01 -1.7321E+00 1.5332E+01 H2 579 1.008000 0.423800 1.0663E+01 -3.2607E+00 1.4891E+01 O6 580 15.999400 -0.847600 -1.0338E+01 -1.4115E+01 9.8856E+00 H1 581 1.008000 0.423800 -1.0682E+01 -1.3546E+01 1.0632E+01 H2 582 1.008000 0.423800 -1.0885E+01 -1.3954E+01 9.0643E+00 O6 583 15.999400 -0.847600 -1.8620E+01 -6.0815E+00 2.8444E+00 H1 584 1.008000 0.423800 -1.9121E+01 -6.9456E+00 2.9005E+00 H2 585 1.008000 0.423800 -1.8952E+01 -5.4578E+00 3.5521E+00 O6 586 15.999400 -0.847600 -1.3462E+01 -1.7424E+01 -5.0654E+00 H1 587 1.008000 0.423800 -1.2925E+01 -1.6876E+01 -4.4241E+00 H2 588 1.008000 0.423800 -1.3249E+01 -1.7146E+01 -6.0018E+00 O6 589 15.999400 -0.847600 1.8693E+01 -7.7655E-01 1.6827E+01 H1 590 1.008000 0.423800 1.9515E+01 -2.6686E-01 1.6574E+01 H2 591 1.008000 0.423800 1.8952E+01 -1.5916E+00 1.7345E+01 O6 592 15.999400 -0.847600 -1.1221E+01 1.1104E+01 1.2063E+01 H1 593 1.008000 0.423800 -1.0683E+01 1.0374E+01 1.1642E+01 H2 594 1.008000 0.423800 -1.2076E+01 1.1222E+01 1.1558E+01 O6 595 15.999400 -0.847600 5.3079E+00 2.1378E+00 -1.2878E+01 H1 596 1.008000 0.423800 5.1693E+00 3.0283E+00 -1.2445E+01 H2 597 1.008000 0.423800 4.8780E+00 1.4261E+00 -1.2323E+01 O6 598 15.999400 -0.847600 4.5815E+00 -1.5025E+01 -1.1750E+01 H1 599 1.008000 0.423800 4.1029E+00 -1.5838E+01 -1.1418E+01 H2 600 1.008000 0.423800 4.3878E+00 -1.4898E+01 -1.2722E+01 O6 601 15.999400 -0.847600 -1.7025E+01 1.7092E+01 4.7409E+00 H1 602 1.008000 0.423800 -1.7569E+01 1.6741E+01 5.5026E+00 H2 603 1.008000 0.423800 -1.6316E+01 1.6427E+01 4.5039E+00 O6 604 15.999400 -0.847600 9.1929E+00 9.8868E-01 -1.3136E+01 H1 605 1.008000 0.423800 8.3893E+00 8.1939E-01 -1.2566E+01 H2 606 1.008000 0.423800 8.9557E+00 1.6334E+00 -1.3863E+01 O6 607 15.999400 -0.847600 1.0263E+01 -1.9489E+01 1.6589E+01 H1 608 1.008000 0.423800 9.3699E+00 -1.9395E+01 1.7029E+01 H2 609 1.008000 0.423800 1.0370E+01 -1.8776E+01 1.5896E+01 O6 610 15.999400 -0.847600 1.5697E+01 -6.0332E+00 -1.7342E+01 H1 611 1.008000 0.423800 1.6385E+01 -5.3752E+00 -1.7035E+01 H2 612 1.008000 0.423800 1.4857E+01 -5.9072E+00 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0.423800 1.0891E+01 1.7190E+01 -8.7957E+00 H2 630 1.008000 0.423800 9.9942E+00 1.8169E+01 -7.8447E+00 O6 631 15.999400 -0.847600 3.1690E+00 -3.7132E+00 -1.4210E+01 H1 632 1.008000 0.423800 2.3419E+00 -3.2953E+00 -1.3834E+01 H2 633 1.008000 0.423800 3.2235E+00 -3.5216E+00 -1.5190E+01 O6 634 15.999400 -0.847600 1.5520E+01 8.0499E-02 -6.2003E+00 H1 635 1.008000 0.423800 1.4889E+01 6.7813E-01 -5.7052E+00 H2 636 1.008000 0.423800 1.5259E+01 -8.7369E-01 -6.0542E+00 O6 637 15.999400 -0.847600 1.8213E+01 1.0194E+01 -8.7502E+00 H1 638 1.008000 0.423800 1.9067E+01 1.0687E+01 -8.5854E+00 H2 639 1.008000 0.423800 1.7865E+01 9.8314E+00 -7.8856E+00 O6 640 15.999400 -0.847600 -1.6363E+01 1.5105E+00 1.0905E+01 H1 641 1.008000 0.423800 -1.5613E+01 1.5484E+00 1.1564E+01 H2 642 1.008000 0.423800 -1.7213E+01 1.7926E+00 1.1350E+01 O6 643 15.999400 -0.847600 -1.1657E+01 1.2918E+01 5.9313E+00 H1 644 1.008000 0.423800 -1.1078E+01 1.3379E+01 6.6039E+00 H2 645 1.008000 0.423800 -1.2537E+01 1.3389E+01 5.8696E+00 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-0.847600 1.3780E+01 -4.2032E+00 5.4315E+00 H1 680 1.008000 0.423800 1.4570E+01 -4.1047E+00 6.0365E+00 H2 681 1.008000 0.423800 1.2977E+01 -3.7906E+00 5.8619E+00 O6 682 15.999400 -0.847600 -2.9785E+00 -1.6853E+01 8.9496E+00 H1 683 1.008000 0.423800 -2.5774E+00 -1.7768E+01 8.9934E+00 H2 684 1.008000 0.423800 -2.7079E+00 -1.6411E+01 8.0944E+00 O6 685 15.999400 -0.847600 -3.2596E+00 3.3296E+00 5.6666E+00 H1 686 1.008000 0.423800 -2.9976E+00 3.7249E+00 6.5470E+00 H2 687 1.008000 0.423800 -4.2129E+00 3.0302E+00 5.7062E+00 O6 688 15.999400 -0.847600 -8.2691E+00 -1.7638E+01 1.3985E+01 H1 689 1.008000 0.423800 -8.3234E+00 -1.6691E+01 1.3668E+01 H2 690 1.008000 0.423800 -7.4097E+00 -1.8045E+01 1.3675E+01 O6 691 15.999400 -0.847600 -8.3695E+00 -2.1825E-02 1.3580E+01 H1 692 1.008000 0.423800 -7.9070E+00 6.3983E-01 1.4170E+01 H2 693 1.008000 0.423800 -7.7098E+00 -7.0230E-01 1.3261E+01 O6 694 15.999400 -0.847600 -2.1197E+00 -6.0287E-01 4.7617E+00 H1 695 1.008000 0.423800 -2.6522E+00 -3.2514E-01 3.9622E+00 H2 696 1.008000 0.423800 -1.4031E+00 -1.2408E+00 4.4797E+00 O6 697 15.999400 -0.847600 6.3006E+00 1.0896E+01 1.2388E+01 H1 698 1.008000 0.423800 7.0082E+00 1.1093E+01 1.3067E+01 H2 699 1.008000 0.423800 5.5436E+00 1.0412E+01 1.2827E+01 O6 700 15.999400 -0.847600 1.3477E+01 -8.2780E+00 1.8504E+01 H1 701 1.008000 0.423800 1.3420E+01 -7.4334E+00 1.9037E+01 H2 702 1.008000 0.423800 1.2556E+01 -8.5810E+00 1.8260E+01 O6 703 15.999400 -0.847600 -1.8943E+01 1.2576E+01 -6.9392E+00 H1 704 1.008000 0.423800 -1.8477E+01 1.1826E+01 -6.4688E+00 H2 705 1.008000 0.423800 -1.8946E+01 1.3387E+01 -6.3538E+00 O6 706 15.999400 -0.847600 -9.8685E+00 1.0926E+01 6.3342E+00 H1 707 1.008000 0.423800 -9.9661E+00 1.0964E+01 7.3288E+00 H2 708 1.008000 0.423800 -8.9623E+00 1.0573E+01 6.1015E+00 O6 709 15.999400 -0.847600 1.8268E+01 1.5236E+01 1.1968E+01 H1 710 1.008000 0.423800 1.8817E+01 1.5224E+01 1.1133E+01 H2 711 1.008000 0.423800 1.7743E+01 1.6086E+01 1.2010E+01 O6 712 15.999400 -0.847600 -1.6851E+01 -9.8615E+00 -9.8623E+00 H1 713 1.008000 0.423800 -1.7120E+01 -1.0586E+01 -9.2279E+00 H2 714 1.008000 0.423800 -1.5898E+01 -9.9919E+00 -1.0133E+01 O6 715 15.999400 -0.847600 1.2147E+01 -1.3565E+01 4.1428E+00 H1 716 1.008000 0.423800 1.1269E+01 -1.3828E+01 3.7436E+00 H2 717 1.008000 0.423800 1.2516E+01 -1.4330E+01 4.6701E+00 O6 718 15.999400 -0.847600 3.6751E+00 -1.7144E+01 2.4110E+00 H1 719 1.008000 0.423800 4.0551E+00 -1.6446E+01 3.0179E+00 H2 720 1.008000 0.423800 4.0829E+00 -1.8031E+01 2.6272E+00 O6 721 15.999400 -0.847600 -6.3908E+00 -1.2167E+01 2.0396E+00 H1 722 1.008000 0.423800 -7.3237E+00 -1.2309E+01 1.7087E+00 H2 723 1.008000 0.423800 -5.9597E+00 -1.1432E+01 1.5154E+00 O6 724 15.999400 -0.847600 -8.9567E+00 1.2216E+01 -2.3160E+00 H1 725 1.008000 0.423800 -8.9659E+00 1.1618E+01 -1.5149E+00 H2 726 1.008000 0.423800 -9.8044E+00 1.2746E+01 -2.3462E+00 O6 727 15.999400 -0.847600 -1.0434E+01 9.8870E+00 -1.8771E+01 H1 728 1.008000 0.423800 -9.7741E+00 9.4882E+00 -1.9408E+01 H2 729 1.008000 0.423800 -1.0168E+01 9.6642E+00 -1.7833E+01 O6 730 15.999400 -0.847600 -9.7798E+00 1.3231E+01 1.0964E+01 H1 731 1.008000 0.423800 -1.0193E+01 1.2552E+01 1.1571E+01 H2 732 1.008000 0.423800 -1.0360E+01 1.4045E+01 1.0930E+01 O6 733 15.999400 -0.847600 9.6771E+00 9.3579E+00 1.8638E+01 H1 734 1.008000 0.423800 1.0053E+01 1.0278E+01 1.8527E+01 H2 735 1.008000 0.423800 1.0361E+01 8.7682E+00 1.9068E+01 O6 736 15.999400 -0.847600 -1.9479E+01 -1.4715E+01 -1.6570E+01 H1 737 1.008000 0.423800 1.8998E+01 -1.4300E+01 -1.7236E+01 H2 738 1.008000 0.423800 -1.9095E+01 -1.5556E+01 -1.6951E+01 O6 739 15.999400 -0.847600 1.0932E+01 -5.5147E+00 -9.6011E+00 H1 740 1.008000 0.423800 1.1339E+01 -4.6287E+00 -9.8242E+00 H2 741 1.008000 0.423800 1.1612E+01 -6.2360E+00 -9.7327E+00 O6 742 15.999400 -0.847600 -1.0031E+01 -1.6129E+01 1.1708E+01 H1 743 1.008000 0.423800 -9.9369E+00 -1.5551E+01 1.0897E+01 H2 744 1.008000 0.423800 -9.7663E+00 -1.5608E+01 1.2520E+01 O6 745 15.999400 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-1.9240E+01 7.2161E+00 H2 762 1.008000 0.423800 5.9104E+00 -1.9514E+01 8.7270E+00 O6 763 15.999400 -0.847600 -8.2128E+00 3.6739E+00 -1.0589E+01 H1 764 1.008000 0.423800 -7.6069E+00 4.4082E+00 -1.0896E+01 H2 765 1.008000 0.423800 -8.6657E+00 3.2636E+00 -1.1381E+01 O6 766 15.999400 -0.847600 7.1587E+00 -5.4090E+00 -5.0677E+00 H1 767 1.008000 0.423800 7.9851E+00 -5.8767E+00 -5.3814E+00 H2 768 1.008000 0.423800 6.6344E+00 -5.0926E+00 -5.8583E+00 O6 769 15.999400 -0.847600 1.4672E+01 1.1115E+00 -8.6944E+00 H1 770 1.008000 0.423800 1.3699E+01 1.3011E+00 -8.5651E+00 H2 771 1.008000 0.423800 1.5075E+01 8.2779E-01 -7.8242E+00 O6 772 15.999400 -0.847600 -1.3073E+01 4.1544E+00 1.4187E+01 H1 773 1.008000 0.423800 -1.3944E+01 4.4204E+00 1.4599E+01 H2 774 1.008000 0.423800 -1.2504E+01 4.9666E+00 1.4057E+01 O6 775 15.999400 -0.847600 1.7096E+01 1.4461E+01 1.4715E+01 H1 776 1.008000 0.423800 1.7980E+01 1.4497E+01 1.5182E+01 H2 777 1.008000 0.423800 1.7230E+01 1.4167E+01 1.3769E+01 O6 778 15.999400 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-1.6319E+01 H2 795 1.008000 0.423800 8.1689E+00 -1.1566E+01 -1.7358E+01 O6 796 15.999400 -0.847600 -4.5436E-01 1.5581E+01 1.2085E+01 H1 797 1.008000 0.423800 3.3146E-01 1.6196E+01 1.2141E+01 H2 798 1.008000 0.423800 -3.1097E-01 1.4801E+01 1.2694E+01 O6 799 15.999400 -0.847600 1.3164E+01 -1.5452E+01 1.9224E+01 H1 800 1.008000 0.423800 1.3902E+01 -1.5996E+01 1.8825E+01 H2 801 1.008000 0.423800 1.3215E+01 -1.5502E+01 -1.8876E+01 O6 802 15.999400 -0.847600 1.7449E+01 1.3008E+00 8.0041E+00 H1 803 1.008000 0.423800 1.7513E+01 5.1348E-01 7.3908E+00 H2 804 1.008000 0.423800 1.6862E+01 1.0720E+00 8.7807E+00 O6 805 15.999400 -0.847600 -1.6783E+01 -1.2533E+01 9.7406E+00 H1 806 1.008000 0.423800 -1.7663E+01 -1.2988E+01 9.8828E+00 H2 807 1.008000 0.423800 -1.6539E+01 -1.2015E+01 1.0561E+01 O6 808 15.999400 -0.847600 1.7396E+01 3.5335E+00 4.0165E+00 H1 809 1.008000 0.423800 1.6508E+01 3.8636E+00 3.6964E+00 H2 810 1.008000 0.423800 1.7504E+01 2.5710E+00 3.7674E+00 O6 811 15.999400 -0.847600 -3.6206E+00 1.6589E+01 -6.1608E+00 H1 812 1.008000 0.423800 -3.1822E+00 1.7060E+01 -5.3953E+00 H2 813 1.008000 0.423800 -3.0787E+00 1.5787E+01 -6.4135E+00 O6 814 15.999400 -0.847600 -1.7073E+01 1.7313E+01 8.8566E+00 H1 815 1.008000 0.423800 -1.6740E+01 1.7435E+01 9.7915E+00 H2 816 1.008000 0.423800 -1.7711E+01 1.8049E+01 8.6308E+00 O6 817 15.999400 -0.847600 -1.7555E+01 1.3001E+01 1.5371E+01 H1 818 1.008000 0.423800 -1.7036E+01 1.2460E+01 1.6033E+01 H2 819 1.008000 0.423800 -1.7026E+01 1.3809E+01 1.5113E+01 O6 820 15.999400 -0.847600 1.4122E+01 3.8352E+00 6.4137E+00 H1 821 1.008000 0.423800 1.4040E+01 4.3832E+00 5.5813E+00 H2 822 1.008000 0.423800 1.5058E+01 3.8945E+00 6.7604E+00 O6 823 15.999400 -0.847600 -6.2383E+00 -1.3877E+01 1.3449E+01 H1 824 1.008000 0.423800 -5.7747E+00 -1.3132E+01 1.3929E+01 H2 825 1.008000 0.423800 -5.5641E+00 -1.4554E+01 1.3155E+01 O6 826 15.999400 -0.847600 -4.0957E+00 -3.2974E+00 4.5029E+00 H1 827 1.008000 0.423800 -3.8465E+00 -4.2530E+00 4.6606E+00 H2 828 1.008000 0.423800 -3.8662E+00 -2.7554E+00 5.3113E+00 O6 829 15.999400 -0.847600 -1.8943E+01 1.4776E+01 1.6887E+01 H1 830 1.008000 0.423800 -1.8240E+01 1.5479E+01 1.6995E+01 H2 831 1.008000 0.423800 -1.8596E+01 1.4045E+01 1.6300E+01 O6 832 15.999400 -0.847600 1.9514E+01 -1.2752E+01 -5.3705E+00 H1 833 1.008000 0.423800 -1.9096E+01 -1.2025E+01 -5.8548E+00 H2 834 1.008000 0.423800 1.8724E+01 -1.3041E+01 -5.9114E+00 O6 835 15.999400 -0.847600 -1.8489E+01 -5.9424E+00 8.3043E+00 H1 836 1.008000 0.423800 -1.8853E+01 -6.8423E+00 8.5439E+00 H2 837 1.008000 0.423800 -1.7881E+01 -6.0282E+00 7.5147E+00 O6 838 15.999400 -0.847600 -2.6459E+00 8.1295E+00 1.2659E+01 H1 839 1.008000 0.423800 -3.0205E+00 7.9971E+00 1.3577E+01 H2 840 1.008000 0.423800 -2.0757E+00 8.9508E+00 1.2647E+01 O6 841 15.999400 -0.847600 -1.3692E+01 1.4616E+01 -6.0150E+00 H1 842 1.008000 0.423800 -1.3525E+01 1.3784E+01 -5.4849E+00 H2 843 1.008000 0.423800 -1.3965E+01 1.5355E+01 -5.3990E+00 O6 844 15.999400 -0.847600 4.4082E+00 -1.6145E+01 1.2438E+01 H1 845 1.008000 0.423800 3.5279E+00 -1.6425E+01 1.2821E+01 H2 846 1.008000 0.423800 4.2580E+00 -1.5667E+01 1.1573E+01 O6 847 15.999400 -0.847600 8.9065E+00 -1.0314E+01 -1.4693E+01 H1 848 1.008000 0.423800 8.1880E+00 -9.6879E+00 -1.4389E+01 H2 849 1.008000 0.423800 8.9615E+00 -1.1089E+01 -1.4064E+01 O6 850 15.999400 -0.847600 -4.5635E+00 1.3192E+01 7.5276E+00 H1 851 1.008000 0.423800 -4.3120E+00 1.2868E+01 6.6154E+00 H2 852 1.008000 0.423800 -3.7805E+00 1.3097E+01 8.1423E+00 O6 853 15.999400 -0.847600 -1.8398E+01 -3.3397E+00 -2.4393E+00 H1 854 1.008000 0.423800 -1.9044E+01 -3.2736E+00 -3.2001E+00 H2 855 1.008000 0.423800 -1.8094E+01 -4.2873E+00 -2.3420E+00 O6 856 15.999400 -0.847600 9.6295E+00 -7.7968E+00 -1.1189E+01 H1 857 1.008000 0.423800 1.0596E+01 -7.5799E+00 -1.1050E+01 H2 858 1.008000 0.423800 9.5499E+00 -8.6694E+00 -1.1671E+01 O6 859 15.999400 -0.847600 6.1410E+00 5.3707E-01 -1.5158E+01 H1 860 1.008000 0.423800 5.8689E+00 1.0685E+00 -1.4356E+01 H2 861 1.008000 0.423800 6.0749E+00 -4.3870E-01 -1.4950E+01 O6 862 15.999400 -0.847600 1.5586E+00 5.4588E+00 -1.2144E+01 H1 863 1.008000 0.423800 1.1804E+00 4.7086E+00 -1.1601E+01 H2 864 1.008000 0.423800 2.5079E+00 5.2527E+00 -1.2381E+01 O6 865 15.999400 -0.847600 1.0799E+01 -1.6383E+01 1.3520E+01 H1 866 1.008000 0.423800 1.1789E+01 -1.6333E+01 1.3391E+01 H2 867 1.008000 0.423800 1.0384E+01 -1.6847E+01 1.2738E+01 O6 868 15.999400 -0.847600 -6.6284E+00 -8.9522E+00 3.2926E+00 H1 869 1.008000 0.423800 -7.0170E+00 -8.5602E+00 2.4588E+00 H2 870 1.008000 0.423800 -5.7521E+00 -8.5128E+00 3.4904E+00 O6 871 15.999400 -0.847600 1.6860E+01 9.8132E+00 4.8884E+00 H1 872 1.008000 0.423800 1.6872E+01 1.0041E+01 5.8622E+00 H2 873 1.008000 0.423800 1.6832E+01 8.8197E+00 4.7785E+00 O6 874 15.999400 -0.847600 -1.0730E+01 1.4690E+01 1.9129E+01 H1 875 1.008000 0.423800 -1.0076E+01 1.5415E+01 1.8911E+01 H2 876 1.008000 0.423800 -1.1577E+01 1.4842E+01 1.8620E+01 O6 877 15.999400 -0.847600 -1.3061E+01 -9.7172E-01 1.6798E+01 H1 878 1.008000 0.423800 -1.2221E+01 -9.6525E-01 1.6255E+01 H2 879 1.008000 0.423800 -1.3755E+01 -4.1222E-01 1.6344E+01 O6 880 15.999400 -0.847600 -9.5612E+00 1.4730E+01 -9.3448E+00 H1 881 1.008000 0.423800 -1.0405E+01 1.5188E+01 -9.0653E+00 H2 882 1.008000 0.423800 -9.3691E+00 1.4942E+01 -1.0303E+01 O6 883 15.999400 -0.847600 -1.0669E+01 -5.7385E+00 -1.5062E+01 H1 884 1.008000 0.423800 -1.1459E+01 -6.1272E+00 -1.4587E+01 H2 885 1.008000 0.423800 -9.9828E+00 -6.4515E+00 -1.5206E+01 O6 886 15.999400 -0.847600 -1.1379E+01 -9.9308E+00 2.9688E+00 H1 887 1.008000 0.423800 -1.2003E+01 -1.0711E+01 3.0180E+00 H2 888 1.008000 0.423800 -1.0439E+01 -1.0247E+01 3.0995E+00 O6 889 15.999400 -0.847600 6.9444E+00 -1.6262E+01 1.3435E+01 H1 890 1.008000 0.423800 6.1511E+00 -1.5979E+01 1.2896E+01 H2 891 1.008000 0.423800 6.6355E+00 -1.6742E+01 1.4256E+01 O6 892 15.999400 -0.847600 5.5092E+00 1.1167E+01 1.7078E+01 H1 893 1.008000 0.423800 6.1442E+00 1.0510E+01 1.7485E+01 H2 894 1.008000 0.423800 5.2314E+00 1.1833E+01 1.7770E+01 O6 895 15.999400 -0.847600 -1.8946E+01 -1.7959E+01 5.2935E+00 H1 896 1.008000 0.423800 1.9375E+01 -1.7519E+01 4.8436E+00 H2 897 1.008000 0.423800 -1.8947E+01 -1.7724E+01 6.2655E+00 O6 898 15.999400 -0.847600 2.8922E+00 -9.6681E+00 1.2065E+01 H1 899 1.008000 0.423800 3.2858E+00 -9.4537E+00 1.1171E+01 H2 900 1.008000 0.423800 2.8129E+00 -8.8296E+00 1.2604E+01 O6 901 15.999400 -0.847600 -1.1575E+01 1.2440E+01 -1.8675E+01 H1 902 1.008000 0.423800 -1.1195E+01 1.3273E+01 -1.9076E+01 H2 903 1.008000 0.423800 -1.0916E+01 1.1694E+01 -1.8768E+01 O6 904 15.999400 -0.847600 -4.8573E+00 -1.9332E+01 -1.2031E+01 H1 905 1.008000 0.423800 -4.4716E+00 -1.9508E+01 -1.2937E+01 H2 906 1.008000 0.423800 -4.7907E+00 -1.8355E+01 -1.1825E+01 O6 907 15.999400 -0.847600 -8.0264E+00 7.5947E+00 1.5523E+01 H1 908 1.008000 0.423800 -7.0820E+00 7.8757E+00 1.5694E+01 H2 909 1.008000 0.423800 -8.4075E+00 8.1427E+00 1.4778E+01 O6 910 15.999400 -0.847600 -5.4368E-01 -9.0384E+00 5.8223E+00 H1 911 1.008000 0.423800 1.9316E-01 -9.5248E+00 5.3527E+00 H2 912 1.008000 0.423800 -4.0020E-01 -8.0525E+00 5.7359E+00 O6 913 15.999400 -0.847600 -1.8306E+01 1.6130E+00 -3.0806E+00 H1 914 1.008000 0.423800 -1.7798E+01 1.6456E+00 -2.2195E+00 H2 915 1.008000 0.423800 -1.8018E+01 8.1325E-01 -3.6072E+00 O6 916 15.999400 -0.847600 1.1713E+01 1.6607E+01 -1.6916E+01 H1 917 1.008000 0.423800 1.2343E+01 1.5947E+01 -1.7326E+01 H2 918 1.008000 0.423800 1.1328E+01 1.6224E+01 -1.6077E+01 O6 919 15.999400 -0.847600 1.2811E+00 -3.1328E+00 -1.0443E+01 H1 920 1.008000 0.423800 2.2447E+00 -2.9075E+00 -1.0300E+01 H2 921 1.008000 0.423800 7.5754E-01 -2.8939E+00 -9.6256E+00 O6 922 15.999400 -0.847600 9.8628E-01 8.3576E+00 1.5943E+01 H1 923 1.008000 0.423800 5.9640E-01 9.2582E+00 1.5751E+01 H2 924 1.008000 0.423800 6.9327E-01 8.0545E+00 1.6850E+01 O6 925 15.999400 -0.847600 4.8499E+00 1.1922E+01 -1.1332E-01 H1 926 1.008000 0.423800 5.7120E+00 1.1822E+01 -6.1016E-01 H2 927 1.008000 0.423800 4.9238E+00 1.2682E+01 5.3293E-01 O6 928 15.999400 -0.847600 -3.9849E-01 1.1358E+01 8.2322E+00 H1 929 1.008000 0.423800 -7.3544E-01 1.1463E+01 7.2965E+00 H2 930 1.008000 0.423800 -1.0827E-01 1.0412E+01 8.3772E+00 O6 931 15.999400 -0.847600 -1.8464E+01 5.3212E+00 1.5304E+01 H1 932 1.008000 0.423800 -1.8469E+01 5.6325E+00 1.6254E+01 H2 933 1.008000 0.423800 -1.8901E+01 6.0098E+00 1.4726E+01 O6 934 15.999400 -0.847600 3.4728E+00 8.8074E+00 9.7728E+00 H1 935 1.008000 0.423800 4.4157E+00 8.4881E+00 9.8675E+00 H2 936 1.008000 0.423800 3.1945E+00 8.7450E+00 8.8143E+00 O6 937 15.999400 -0.847600 4.2338E+00 -7.9455E+00 -1.1031E+01 H1 938 1.008000 0.423800 4.5719E+00 -8.3818E+00 -1.0197E+01 H2 939 1.008000 0.423800 3.3748E+00 -8.3763E+00 -1.1308E+01 O6 940 15.999400 -0.847600 -2.9451E+00 1.3014E+00 -1.7220E+01 H1 941 1.008000 0.423800 -3.3875E+00 6.4101E-01 -1.6613E+01 H2 942 1.008000 0.423800 -1.9605E+00 1.3066E+00 -1.7046E+01 O6 943 15.999400 -0.847600 3.9084E+00 -5.1943E+00 1.1259E+01 H1 944 1.008000 0.423800 3.0638E+00 -5.4066E+00 1.1751E+01 H2 945 1.008000 0.423800 4.5986E+00 -5.8871E+00 1.1468E+01 O6 946 15.999400 -0.847600 -8.1348E+00 -2.6953E+00 -7.7703E+00 H1 947 1.008000 0.423800 -7.9421E+00 -3.0336E+00 -8.6915E+00 H2 948 1.008000 0.423800 -8.7274E+00 -1.8919E+00 -7.8276E+00 O6 949 15.999400 -0.847600 1.0879E+01 5.9058E-01 1.6646E+00 H1 950 1.008000 0.423800 1.0870E+01 -3.3932E-01 2.0323E+00 H2 951 1.008000 0.423800 1.1592E+01 6.6593E-01 9.6723E-01 O6 952 15.999400 -0.847600 1.0105E+01 1.6333E+01 3.6181E+00 H1 953 1.008000 0.423800 9.4378E+00 1.6691E+01 4.2710E+00 H2 954 1.008000 0.423800 9.8675E+00 1.6640E+01 2.6965E+00 O6 955 15.999400 -0.847600 4.4582E+00 -9.8093E+00 -4.9020E+00 H1 956 1.008000 0.423800 5.2082E+00 -9.2048E+00 -4.6334E+00 H2 957 1.008000 0.423800 4.1914E+00 -9.6106E+00 -5.8450E+00 O6 958 15.999400 -0.847600 -1.3563E+01 -3.0580E+00 2.4769E+00 H1 959 1.008000 0.423800 -1.2660E+01 -2.7060E+00 2.2300E+00 H2 960 1.008000 0.423800 -1.3478E+01 -3.6731E+00 3.2607E+00 O6 961 15.999400 -0.847600 7.0398E+00 -1.7957E+01 -4.4608E+00 H1 962 1.008000 0.423800 7.2298E+00 -1.8614E+01 -3.7313E+00 H2 963 1.008000 0.423800 7.3227E+00 -1.7044E+01 -4.1685E+00 O6 964 15.999400 -0.847600 1.6752E+01 3.9119E+00 7.2268E+00 H1 965 1.008000 0.423800 1.6897E+01 2.9992E+00 7.6085E+00 H2 966 1.008000 0.423800 1.7525E+01 4.1556E+00 6.6414E+00 O6 967 15.999400 -0.847600 -5.7913E+00 -6.8719E+00 1.3646E+01 H1 968 1.008000 0.423800 -6.3168E+00 -7.7015E+00 1.3458E+01 H2 969 1.008000 0.423800 -5.2187E+00 -7.0161E+00 1.4453E+01 O6 970 15.999400 -0.847600 1.4267E+01 4.8019E+00 3.8391E+00 H1 971 1.008000 0.423800 1.4599E+01 5.5608E+00 3.2788E+00 H2 972 1.008000 0.423800 1.3714E+01 4.1886E+00 3.2755E+00 O6 973 15.999400 -0.847600 -2.4908E+00 -1.1482E+01 1.6014E+01 H1 974 1.008000 0.423800 -2.4365E+00 -1.2288E+01 1.6603E+01 H2 975 1.008000 0.423800 -1.9092E+00 -1.1615E+01 1.5212E+01 O6 976 15.999400 -0.847600 7.2896E+00 -8.4670E+00 -1.3382E+01 H1 977 1.008000 0.423800 8.2465E+00 -8.5685E+00 -1.3110E+01 H2 978 1.008000 0.423800 6.9077E+00 -7.6459E+00 -1.2958E+01 O6 979 15.999400 -0.847600 4.8211E+00 -5.7145E+00 -1.4005E+01 H1 980 1.008000 0.423800 5.1859E+00 -5.8010E+00 -1.3078E+01 H2 981 1.008000 0.423800 4.2782E+00 -4.8774E+00 -1.4073E+01 O6 982 15.999400 -0.847600 -1.0977E+01 -2.1118E+00 1.0584E+01 H1 983 1.008000 0.423800 -1.0531E+01 -1.2226E+00 1.0482E+01 H2 984 1.008000 0.423800 -1.0379E+01 -2.7283E+00 1.1095E+01 O6 985 15.999400 -0.847600 -7.4050E-01 -1.0326E+01 8.0790E+00 H1 986 1.008000 0.423800 -3.0781E-01 -9.7969E+00 8.8087E+00 H2 987 1.008000 0.423800 -7.4282E-01 -9.7903E+00 7.2348E+00 O6 988 15.999400 -0.847600 7.7298E+00 7.5005E+00 6.0876E+00 H1 989 1.008000 0.423800 7.0980E+00 7.8733E+00 5.4080E+00 H2 990 1.008000 0.423800 8.6659E+00 7.7603E+00 5.8503E+00 O6 991 15.999400 -0.847600 -9.3303E+00 -6.1598E+00 -3.4773E+00 H1 992 1.008000 0.423800 -9.0560E+00 -5.6628E+00 -4.3006E+00 H2 993 1.008000 0.423800 -1.0301E+01 -6.3929E+00 -3.5367E+00 O6 994 15.999400 -0.847600 1.4220E+01 1.2938E+01 7.4404E+00 H1 995 1.008000 0.423800 1.4944E+01 1.2286E+01 7.6651E+00 H2 996 1.008000 0.423800 1.4544E+01 1.3564E+01 6.7310E+00 O6 997 15.999400 -0.847600 1.1376E+01 -1.5828E+01 6.6972E+00 H1 998 1.008000 0.423800 1.2249E+01 -1.5764E+01 7.1799E+00 H2 999 1.008000 0.423800 1.1401E+01 -1.6602E+01 6.0649E+00 O6 1000 15.999400 -0.847600 1.1202E+01 -1.1172E+01 -1.7373E+01 H1 1001 1.008000 0.423800 1.1731E+01 -1.0324E+01 -1.7339E+01 H2 1002 1.008000 0.423800 1.0253E+01 -1.0983E+01 -1.7122E+01 O6 1003 15.999400 -0.847600 -9.4916E+00 1.8293E+01 1.4990E+00 H1 1004 1.008000 0.423800 -1.0215E+01 1.8481E+01 2.1631E+00 H2 1005 1.008000 0.423800 -9.8870E+00 1.7859E+01 6.8933E-01 O6 1006 15.999400 -0.847600 -5.9185E-01 -6.3425E+00 4.0540E+00 H1 1007 1.008000 0.423800 -5.3592E-01 -6.3396E+00 5.0524E+00 H2 1008 1.008000 0.423800 -1.3087E+00 -5.7110E+00 3.7585E+00 O6 1009 15.999400 -0.847600 -1.5874E+00 1.2052E+01 -1.2319E+01 H1 1010 1.008000 0.423800 -2.3463E+00 1.1690E+01 -1.1777E+01 H2 1011 1.008000 0.423800 -9.4863E-01 1.1313E+01 -1.2533E+01 O6 1012 15.999400 -0.847600 8.9928E+00 -1.2409E+00 7.7531E+00 H1 1013 1.008000 0.423800 8.0285E+00 -1.0712E+00 7.9565E+00 H2 1014 1.008000 0.423800 9.5037E+00 -3.8413E-01 7.8221E+00 O6 1015 15.999400 -0.847600 -4.5361E+00 1.9468E+01 -1.4913E+01 H1 1016 1.008000 0.423800 -5.4418E+00 -1.9302E+01 -1.5182E+01 H2 1017 1.008000 0.423800 -4.0213E+00 1.9204E+01 -1.5728E+01 O6 1018 15.999400 -0.847600 1.5616E+01 -7.6334E+00 -8.4983E+00 H1 1019 1.008000 0.423800 1.5712E+01 -7.5563E+00 -7.5060E+00 H2 1020 1.008000 0.423800 1.5939E+01 -8.5316E+00 -8.7958E+00 O6 1021 15.999400 -0.847600 1.6863E+01 1.3991E+01 -8.0611E+00 H1 1022 1.008000 0.423800 1.6398E+01 1.3128E+01 -8.2599E+00 H2 1023 1.008000 0.423800 1.7244E+01 1.4366E+01 -8.9060E+00 O6 1024 15.999400 -0.847600 -1.1231E+01 -6.1487E+00 -1.0970E+01 H1 1025 1.008000 0.423800 -1.1384E+01 -5.4871E+00 -1.0235E+01 H2 1026 1.008000 0.423800 -1.0304E+01 -6.0394E+00 -1.1328E+01 O6 1027 15.999400 -0.847600 -1.6296E+01 4.9250E+00 -1.5846E+01 H1 1028 1.008000 0.423800 -1.6334E+01 4.4899E+00 -1.4946E+01 H2 1029 1.008000 0.423800 -1.5604E+01 4.4708E+00 -1.6407E+01 O6 1030 15.999400 -0.847600 -8.8120E+00 9.5937E+00 1.8041E+01 H1 1031 1.008000 0.423800 -9.1096E+00 1.0524E+01 1.7824E+01 H2 1032 1.008000 0.423800 -8.9437E+00 9.0071E+00 1.7242E+01 O6 1033 15.999400 -0.847600 -1.1262E+01 7.4174E+00 -2.8302E+00 H1 1034 1.008000 0.423800 -1.1779E+01 6.7664E+00 -2.2744E+00 H2 1035 1.008000 0.423800 -1.1650E+01 8.3324E+00 -2.7187E+00 O6 1036 15.999400 -0.847600 1.7941E+01 9.2464E+00 -1.9363E+01 H1 1037 1.008000 0.423800 1.7699E+01 8.3080E+00 1.9488E+01 H2 1038 1.008000 0.423800 1.8336E+01 9.2585E+00 -1.8444E+01 O6 1039 15.999400 -0.847600 -1.7682E+01 1.5157E+01 -1.6545E+01 H1 1040 1.008000 0.423800 -1.8029E+01 1.6004E+01 -1.6142E+01 H2 1041 1.008000 0.423800 -1.8417E+01 1.4480E+01 -1.6583E+01 O6 1042 15.999400 -0.847600 -7.6010E+00 1.2184E+00 -2.2688E+00 H1 1043 1.008000 0.423800 -7.9122E+00 4.5271E-01 -2.8317E+00 H2 1044 1.008000 0.423800 -7.1384E+00 8.6724E-01 -1.4547E+00 O6 1045 15.999400 -0.847600 -1.6983E+01 8.7047E-01 -1.0714E+01 H1 1046 1.008000 0.423800 -1.7167E+01 1.1040E+00 -9.7589E+00 H2 1047 1.008000 0.423800 -1.6076E+01 1.2060E+00 -1.0970E+01 O6 1048 15.999400 -0.847600 -5.0782E+00 1.7802E+01 -1.1322E+00 H1 1049 1.008000 0.423800 -5.6559E+00 1.7563E+01 -1.9127E+00 H2 1050 1.008000 0.423800 -5.6547E+00 1.8003E+01 -3.4026E-01 O6 1051 15.999400 -0.847600 8.5286E+00 -9.4687E-01 -9.2833E+00 H1 1052 1.008000 0.423800 8.1593E+00 -1.5910E+00 -8.6134E+00 H2 1053 1.008000 0.423800 8.5247E+00 -1.3697E+00 -1.0189E+01 O6 1054 15.999400 -0.847600 -1.0213E+01 3.6765E+00 1.5503E+01 H1 1055 1.008000 0.423800 -1.1173E+01 3.9540E+00 1.5532E+01 H2 1056 1.008000 0.423800 -9.8881E+00 3.6990E+00 1.4557E+01 O6 1057 15.999400 -0.847600 5.7886E+00 -6.2347E+00 1.7401E+01 H1 1058 1.008000 0.423800 5.8286E+00 -6.4910E+00 1.6435E+01 H2 1059 1.008000 0.423800 6.2458E+00 -6.9340E+00 1.7950E+01 O6 1060 15.999400 -0.847600 2.0729E+00 -7.8941E-01 3.6782E+00 H1 1061 1.008000 0.423800 1.8324E+00 1.2207E-01 3.3444E+00 H2 1062 1.008000 0.423800 2.2555E+00 -7.4718E-01 4.6604E+00 O6 1063 15.999400 -0.847600 -1.6672E+01 1.7669E+01 -1.3647E+01 H1 1064 1.008000 0.423800 -1.7203E+01 1.6918E+01 -1.3254E+01 H2 1065 1.008000 0.423800 -1.5698E+01 1.7449E+01 -1.3599E+01 O6 1066 15.999400 -0.847600 -7.9997E-02 -1.9430E+01 -6.5277E+00 H1 1067 1.008000 0.423800 2.0414E-01 1.9462E+01 -5.5912E+00 H2 1068 1.008000 0.423800 -4.7790E-01 1.8849E+01 -6.9426E+00 O6 1069 15.999400 -0.847600 -1.2902E+01 1.8039E+01 1.6793E+01 H1 1070 1.008000 0.423800 -1.3756E+01 1.8497E+01 1.6547E+01 H2 1071 1.008000 0.423800 -1.2147E+01 1.8692E+01 1.6742E+01 O6 1072 15.999400 -0.847600 1.1763E+01 9.2424E+00 3.8526E-01 H1 1073 1.008000 0.423800 1.1568E+01 9.9875E+00 -2.5250E-01 H2 1074 1.008000 0.423800 1.1264E+01 9.3946E+00 1.2384E+00 O6 1075 15.999400 -0.847600 -1.0584E+01 2.7235E+00 -1.4908E+01 H1 1076 1.008000 0.423800 -1.0357E+01 2.6703E+00 -1.5881E+01 H2 1077 1.008000 0.423800 -1.0828E+01 1.8135E+00 -1.4572E+01 O6 1078 15.999400 -0.847600 1.8434E+01 -1.7241E+01 -8.6723E+00 H1 1079 1.008000 0.423800 1.7668E+01 -1.6803E+01 -8.1998E+00 H2 1080 1.008000 0.423800 1.8086E+01 -1.7959E+01 -9.2752E+00 O6 1081 15.999400 -0.847600 -1.7286E+01 1.3761E+01 1.2146E+01 H1 1082 1.008000 0.423800 -1.7866E+01 1.4089E+01 1.2892E+01 H2 1083 1.008000 0.423800 -1.7728E+01 1.2984E+01 1.1698E+01 O6 1084 15.999400 -0.847600 9.1626E+00 -1.8719E+01 5.4503E+00 H1 1085 1.008000 0.423800 9.0309E+00 -1.9168E+01 6.3343E+00 H2 1086 1.008000 0.423800 8.3367E+00 -1.8210E+01 5.2088E+00 O6 1087 15.999400 -0.847600 6.6444E+00 -9.8855E+00 1.6620E+01 H1 1088 1.008000 0.423800 5.7099E+00 -9.6009E+00 1.6406E+01 H2 1089 1.008000 0.423800 6.8070E+00 -1.0800E+01 1.6250E+01 O6 1090 15.999400 -0.847600 -1.2183E+01 9.7804E+00 -5.7708E+00 H1 1091 1.008000 0.423800 -1.2196E+01 8.8085E+00 -6.0057E+00 H2 1092 1.008000 0.423800 -1.1344E+01 1.0197E+01 -6.1216E+00 O6 1093 15.999400 -0.847600 -1.4975E+00 -1.6947E+01 2.5708E+00 H1 1094 1.008000 0.423800 -1.3488E+00 -1.5958E+01 2.5631E+00 H2 1095 1.008000 0.423800 -2.4788E+00 -1.7137E+01 2.5395E+00 O6 1096 15.999400 -0.847600 3.9289E+00 -1.0201E+01 -1.9423E+01 H1 1097 1.008000 0.423800 3.5136E+00 -1.1061E+01 -1.9124E+01 H2 1098 1.008000 0.423800 4.3152E+00 -9.7256E+00 -1.8633E+01 O6 1099 15.999400 -0.847600 7.7983E+00 -2.0443E+00 3.8743E+00 H1 1100 1.008000 0.423800 7.3784E+00 -1.1775E+00 3.6054E+00 H2 1101 1.008000 0.423800 7.1648E+00 -2.5555E+00 4.4552E+00 O6 1102 15.999400 -0.847600 -6.7527E+00 2.3580E+00 -1.5057E+01 H1 1103 1.008000 0.423800 -6.3943E+00 2.9228E+00 -1.5800E+01 H2 1104 1.008000 0.423800 -7.0024E+00 1.4576E+00 -1.5413E+01 O6 1105 15.999400 -0.847600 8.9174E-01 4.9162E+00 -6.2908E+00 H1 1106 1.008000 0.423800 -5.5253E-02 5.0905E+00 -6.0209E+00 H2 1107 1.008000 0.423800 1.2795E+00 4.2043E+00 -5.7054E+00 O6 1108 15.999400 -0.847600 4.9228E+00 9.8432E+00 -1.7351E+01 H1 1109 1.008000 0.423800 5.5886E+00 9.8221E+00 -1.8097E+01 H2 1110 1.008000 0.423800 5.3920E+00 9.6905E+00 -1.6481E+01 O6 1111 15.999400 -0.847600 -8.3498E+00 -1.3907E+01 7.9032E-01 H1 1112 1.008000 0.423800 -8.0091E+00 -1.4733E+01 3.3957E-01 H2 1113 1.008000 0.423800 -8.3548E+00 -1.4047E+01 1.7806E+00 O6 1114 15.999400 -0.847600 -1.3796E+00 1.1707E+01 -2.5810E+00 H1 1115 1.008000 0.423800 -4.5948E-01 1.1727E+01 -2.1898E+00 H2 1116 1.008000 0.423800 -1.7935E+00 1.2614E+01 -2.5060E+00 O6 1117 15.999400 -0.847600 3.6832E+00 2.6297E+00 -2.9999E+00 H1 1118 1.008000 0.423800 3.1572E+00 3.0386E+00 -2.2542E+00 H2 1119 1.008000 0.423800 3.4847E+00 1.6509E+00 -3.0501E+00 O6 1120 15.999400 -0.847600 -1.2275E+01 7.6589E+00 -1.7934E+01 H1 1121 1.008000 0.423800 -1.2045E+01 8.4153E+00 -1.8546E+01 H2 1122 1.008000 0.423800 -1.2921E+01 7.9764E+00 -1.7240E+01 O6 1123 15.999400 -0.847600 -1.8671E+01 1.0376E+00 -1.6833E+01 H1 1124 1.008000 0.423800 -1.7942E+01 6.9806E-01 -1.7428E+01 H2 1125 1.008000 0.423800 -1.9187E+01 1.7483E+00 -1.7312E+01 O6 1126 15.999400 -0.847600 1.8379E+01 1.1132E+01 1.7814E+01 H1 1127 1.008000 0.423800 1.8328E+01 1.0404E+01 1.8498E+01 H2 1128 1.008000 0.423800 1.7505E+01 1.1198E+01 1.7332E+01 O6 1129 15.999400 -0.847600 -1.2880E+01 4.8782E+00 2.0225E-01 H1 1130 1.008000 0.423800 -1.3240E+01 4.9964E+00 1.1276E+00 H2 1131 1.008000 0.423800 -1.3290E+01 5.5586E+00 -4.0462E-01 O6 1132 15.999400 -0.847600 -4.4474E-01 -1.3605E+01 1.0390E+01 H1 1133 1.008000 0.423800 4.4325E-01 -1.3190E+01 1.0193E+01 H2 1134 1.008000 0.423800 -1.1534E+00 -1.3147E+01 9.8535E+00 O6 1135 15.999400 -0.847600 1.1150E+01 3.6698E+00 -1.7422E+01 H1 1136 1.008000 0.423800 1.1258E+01 2.8812E+00 -1.6817E+01 H2 1137 1.008000 0.423800 1.1639E+01 4.4534E+00 -1.7039E+01 O6 1138 15.999400 -0.847600 6.9273E+00 -1.6683E+01 -1.7183E+01 H1 1139 1.008000 0.423800 7.2945E+00 -1.6302E+01 -1.8032E+01 H2 1140 1.008000 0.423800 7.5402E+00 -1.7398E+01 -1.6846E+01 O6 1141 15.999400 -0.847600 1.6615E+01 1.2396E+01 -1.8546E+01 H1 1142 1.008000 0.423800 1.6832E+01 1.1491E+01 -1.8180E+01 H2 1143 1.008000 0.423800 1.5854E+01 1.2322E+01 -1.9190E+01 O6 1144 15.999400 -0.847600 -1.7864E+00 -3.3780E+00 -5.9597E+00 H1 1145 1.008000 0.423800 -9.3183E-01 -3.0007E+00 -5.6028E+00 H2 1146 1.008000 0.423800 -2.5596E+00 -2.8744E+00 -5.5744E+00 O6 1147 15.999400 -0.847600 1.8464E+01 -6.7586E-01 -9.7730E+00 H1 1148 1.008000 0.423800 1.8034E+01 9.5684E-02 -1.0241E+01 H2 1149 1.008000 0.423800 1.8004E+01 -1.5239E+00 -1.0035E+01 O6 1150 15.999400 -0.847600 -4.4130E+00 -1.8665E+01 1.7131E+01 H1 1151 1.008000 0.423800 -5.1885E+00 -1.8553E+01 1.7753E+01 H2 1152 1.008000 0.423800 -4.4384E+00 -1.7949E+01 1.6434E+01 O6 1153 15.999400 -0.847600 -1.8343E+01 -1.6895E+01 7.8559E+00 H1 1154 1.008000 0.423800 -1.8974E+01 -1.6119E+01 7.8536E+00 H2 1155 1.008000 0.423800 -1.7719E+01 -1.6816E+01 8.6338E+00 O6 1156 15.999400 -0.847600 6.0246E+00 1.5139E+01 4.7997E+00 H1 1157 1.008000 0.423800 6.1648E+00 1.6113E+01 4.6256E+00 H2 1158 1.008000 0.423800 6.9055E+00 1.4703E+01 4.9845E+00 O6 1159 15.999400 -0.847600 -4.0790E+00 7.7388E+00 -1.0626E+01 H1 1160 1.008000 0.423800 -4.8055E+00 7.2984E+00 -1.0098E+01 H2 1161 1.008000 0.423800 -3.4434E+00 7.0441E+00 -1.0962E+01 O6 1162 15.999400 -0.847600 -5.3065E+00 1.9462E+01 -7.9183E+00 H1 1163 1.008000 0.423800 -5.9283E+00 -1.9435E+01 -7.1614E+00 H2 1164 1.008000 0.423800 -5.8348E+00 1.9166E+01 -8.7143E+00 O6 1165 15.999400 -0.847600 1.2884E+01 -7.5050E+00 -1.0019E+01 H1 1166 1.008000 0.423800 1.3216E+01 -7.8802E+00 -1.0885E+01 H2 1167 1.008000 0.423800 1.3645E+01 -7.4297E+00 -9.3755E+00 O6 1168 15.999400 -0.847600 -9.3841E+00 1.1475E+01 9.0777E+00 H1 1169 1.008000 0.423800 -9.3616E+00 1.0608E+01 9.5755E+00 H2 1170 1.008000 0.423800 -9.5294E+00 1.2226E+01 9.7222E+00 O6 1171 15.999400 -0.847600 1.6386E+01 -1.6231E+01 6.8469E+00 H1 1172 1.008000 0.423800 1.5410E+01 -1.6117E+01 6.6608E+00 H2 1173 1.008000 0.423800 1.6839E+01 -1.6604E+01 6.0371E+00 O6 1174 15.999400 -0.847600 1.5874E+01 3.7442E-01 -1.5533E+01 H1 1175 1.008000 0.423800 1.5633E+01 7.6239E-01 -1.4643E+01 H2 1176 1.008000 0.423800 1.5264E+01 7.4467E-01 -1.6234E+01 O6 1177 15.999400 -0.847600 1.5929E+01 -3.9771E+00 7.0144E+00 H1 1178 1.008000 0.423800 1.6132E+01 -3.4014E+00 7.8065E+00 H2 1179 1.008000 0.423800 1.6745E+01 -4.4972E+00 6.7628E+00 O6 1180 15.999400 -0.847600 5.7383E+00 1.0157E+01 -8.9716E+00 H1 1181 1.008000 0.423800 5.2092E+00 1.0447E+01 -9.7690E+00 H2 1182 1.008000 0.423800 5.2344E+00 1.0382E+01 -8.1375E+00 O6 1183 15.999400 -0.847600 -1.7167E+01 -4.1380E+00 1.8218E+00 H1 1184 1.008000 0.423800 -1.7767E+01 -4.8937E+00 2.0836E+00 H2 1185 1.008000 0.423800 -1.7698E+01 -3.2928E+00 1.7692E+00 O6 1186 15.999400 -0.847600 -3.7784E+00 -1.7571E+00 -5.1243E+00 H1 1187 1.008000 0.423800 -4.4053E+00 -1.5215E+00 -5.8669E+00 H2 1188 1.008000 0.423800 -4.2213E+00 -2.4087E+00 -4.5084E+00 O6 1189 15.999400 -0.847600 1.2720E+01 -1.0169E+01 -8.1744E+00 H1 1190 1.008000 0.423800 1.1819E+01 -1.0497E+01 -7.8872E+00 H2 1191 1.008000 0.423800 1.2979E+01 -9.3789E+00 -7.6194E+00 O6 1192 15.999400 -0.847600 1.0652E+00 1.1182E+01 -1.7144E+00 H1 1193 1.008000 0.423800 9.9932E-01 1.1786E+01 -9.1984E-01 H2 1194 1.008000 0.423800 1.6673E+00 1.0413E+01 -1.4996E+00 O6 1195 15.999400 -0.847600 -1.2979E+01 -7.5348E+00 1.1019E+01 H1 1196 1.008000 0.423800 -1.3979E+01 -7.5530E+00 1.1033E+01 H2 1197 1.008000 0.423800 -1.2658E+01 -6.6337E+00 1.1311E+01 O6 1198 15.999400 -0.847600 2.2977E+00 -1.2638E+01 -1.1477E+01 H1 1199 1.008000 0.423800 1.6519E+00 -1.3104E+01 -1.0872E+01 H2 1200 1.008000 0.423800 3.2273E+00 -1.2943E+01 -1.1270E+01 O6 1201 15.999400 -0.847600 1.4084E+01 -1.8653E+01 -5.2888E+00 H1 1202 1.008000 0.423800 1.4453E+01 -1.8620E+01 -4.3598E+00 H2 1203 1.008000 0.423800 1.4835E+01 -1.8742E+01 -5.9426E+00 O6 1204 15.999400 -0.847600 -1.5690E+01 2.7952E+00 7.0196E+00 H1 1205 1.008000 0.423800 -1.6687E+01 2.7410E+00 6.9588E+00 H2 1206 1.008000 0.423800 -1.5410E+01 2.7204E+00 7.9766E+00 O6 1207 15.999400 -0.847600 -3.3476E+00 -8.1008E-01 -1.9900E+00 H1 1208 1.008000 0.423800 -4.2740E+00 -1.0946E+00 -2.2370E+00 H2 1209 1.008000 0.423800 -3.2291E+00 1.5981E-01 -2.2027E+00 O6 1210 15.999400 -0.847600 7.5211E+00 2.9541E+00 1.2409E+01 H1 1211 1.008000 0.423800 7.1032E+00 2.9877E+00 1.3316E+01 H2 1212 1.008000 0.423800 7.5959E+00 3.8813E+00 1.2042E+01 O6 1213 15.999400 -0.847600 1.3396E+01 1.2554E+01 -1.6815E+01 H1 1214 1.008000 0.423800 1.3806E+01 1.1706E+01 -1.7150E+01 H2 1215 1.008000 0.423800 1.3949E+01 1.2919E+01 -1.6067E+01 O6 1216 15.999400 -0.847600 9.2323E+00 7.6124E+00 -1.3717E+01 H1 1217 1.008000 0.423800 8.4464E+00 7.8746E+00 -1.3157E+01 H2 1218 1.008000 0.423800 9.5407E+00 8.4013E+00 -1.4249E+01 O6 1219 15.999400 -0.847600 9.8898E+00 1.5761E+01 -1.4847E+01 H1 1220 1.008000 0.423800 9.3019E+00 1.5258E+01 -1.5481E+01 H2 1221 1.008000 0.423800 9.3230E+00 1.6272E+01 -1.4201E+01 O6 1222 15.999400 -0.847600 1.4279E+01 1.1894E+01 1.3811E+00 H1 1223 1.008000 0.423800 1.4595E+01 1.0949E+01 1.2913E+00 H2 1224 1.008000 0.423800 1.3294E+01 1.1901E+01 1.5515E+00 O6 1225 15.999400 -0.847600 2.7251E+00 -4.5303E+00 8.6462E+00 H1 1226 1.008000 0.423800 2.5807E+00 -5.4790E+00 8.3649E+00 H2 1227 1.008000 0.423800 3.4108E+00 -4.4990E+00 9.3734E+00 O6 1228 15.999400 -0.847600 -5.2132E-01 -1.0136E+01 -1.6323E+01 H1 1229 1.008000 0.423800 -1.0812E+00 -1.0629E+01 -1.6989E+01 H2 1230 1.008000 0.423800 1.6116E-01 -9.5856E+00 -1.6804E+01 O6 1231 15.999400 -0.847600 2.1715E+00 1.1258E+01 4.8644E+00 H1 1232 1.008000 0.423800 1.7668E+00 1.2113E+01 5.1877E+00 H2 1233 1.008000 0.423800 2.7704E+00 1.1446E+01 4.0860E+00 O6 1234 15.999400 -0.847600 2.2662E+00 1.3245E+01 -1.3663E+01 H1 1235 1.008000 0.423800 1.4393E+00 1.3524E+01 -1.3175E+01 H2 1236 1.008000 0.423800 2.3097E+00 1.3719E+01 -1.4543E+01 O6 1237 15.999400 -0.847600 -1.5943E+01 1.4341E+01 -1.3108E+01 H1 1238 1.008000 0.423800 -1.5459E+01 1.3471E+01 -1.3202E+01 H2 1239 1.008000 0.423800 -1.5311E+01 1.5095E+01 -1.3286E+01 O6 1240 15.999400 -0.847600 -1.4912E+01 -4.8188E-01 3.7557E+00 H1 1241 1.008000 0.423800 -1.5006E+01 -1.3088E+00 3.2011E+00 H2 1242 1.008000 0.423800 -1.4915E+01 -7.2855E-01 4.7248E+00 O6 1243 15.999400 -0.847600 7.8214E+00 -1.7022E+01 2.1169E+00 H1 1244 1.008000 0.423800 7.3430E+00 -1.7393E+01 1.3208E+00 H2 1245 1.008000 0.423800 8.2141E+00 -1.6132E+01 1.8851E+00 O6 1246 15.999400 -0.847600 1.4642E+01 1.0005E+01 -1.7409E+01 H1 1247 1.008000 0.423800 1.3965E+01 9.3409E+00 -1.7725E+01 H2 1248 1.008000 0.423800 1.5083E+01 9.6629E+00 -1.6580E+01 O6 1249 15.999400 -0.847600 -2.2067E+00 -4.2108E+00 9.6527E+00 H1 1250 1.008000 0.423800 -1.2320E+00 -4.3808E+00 9.5069E+00 H2 1251 1.008000 0.423800 -2.3510E+00 -3.2394E+00 9.8413E+00 O6 1252 15.999400 -0.847600 6.2649E-01 1.2492E+01 -1.9518E+01 H1 1253 1.008000 0.423800 -3.2698E-01 1.2191E+01 -1.9508E+01 H2 1254 1.008000 0.423800 1.2231E+00 1.1705E+01 1.9422E+01 O6 1255 15.999400 -0.847600 -9.1130E+00 3.1358E+00 -5.5979E-01 H1 1256 1.008000 0.423800 -8.8207E+00 2.4643E+00 -1.2407E+00 H2 1257 1.008000 0.423800 -9.6667E+00 3.8406E+00 -1.0031E+00 O6 1258 15.999400 -0.847600 -4.3176E+00 -1.2478E+01 5.5081E+00 H1 1259 1.008000 0.423800 -3.7056E+00 -1.3264E+01 5.5926E+00 H2 1260 1.008000 0.423800 -4.0212E+00 -1.1756E+01 6.1336E+00 O6 1261 15.999400 -0.847600 -1.8106E+01 3.6732E+00 -1.9526E+01 H1 1262 1.008000 0.423800 -1.8770E+01 3.7436E+00 1.8826E+01 H2 1263 1.008000 0.423800 -1.8377E+01 4.2827E+00 -1.8781E+01 O6 1264 15.999400 -0.847600 1.5561E+01 3.4820E+00 -9.7923E+00 H1 1265 1.008000 0.423800 1.4962E+01 2.8261E+00 -9.3331E+00 H2 1266 1.008000 0.423800 1.6441E+01 3.0497E+00 -9.9866E+00 O6 1267 15.999400 -0.847600 1.8355E+01 -1.8347E+01 -1.3094E+01 H1 1268 1.008000 0.423800 1.7833E+01 -1.9044E+01 -1.2603E+01 H2 1269 1.008000 0.423800 1.9223E+01 -1.8736E+01 -1.3402E+01 O6 1270 15.999400 -0.847600 -1.5295E+01 1.8959E+01 1.7871E+01 H1 1271 1.008000 0.423800 -1.5416E+01 -1.9373E+01 1.8503E+01 H2 1272 1.008000 0.423800 -1.5371E+01 1.9287E+01 1.6930E+01 O6 1273 15.999400 -0.847600 -1.5016E+01 1.5468E+01 -1.9357E+01 H1 1274 1.008000 0.423800 -1.5124E+01 1.4961E+01 -1.8502E+01 H2 1275 1.008000 0.423800 -1.5901E+01 1.5838E+01 1.9457E+01 O6 1276 15.999400 -0.847600 -1.6723E+01 -4.0157E+00 1.7821E+01 H1 1277 1.008000 0.423800 -1.6695E+01 -3.7947E+00 1.6846E+01 H2 1278 1.008000 0.423800 -1.6711E+01 -5.0088E+00 1.7938E+01 O6 1279 15.999400 -0.847600 -1.9040E+01 6.0151E+00 -3.5670E+00 H1 1280 1.008000 0.423800 -1.9081E+01 5.0685E+00 -3.8869E+00 H2 1281 1.008000 0.423800 -1.9439E+01 6.6180E+00 -4.2582E+00 O6 1282 15.999400 -0.847600 -1.0269E+01 -1.9155E+01 -1.0395E+01 H1 1283 1.008000 0.423800 -1.0239E+01 1.9440E+01 -1.1259E+01 H2 1284 1.008000 0.423800 -1.0563E+01 -1.8214E+01 -1.0567E+01 O6 1285 15.999400 -0.847600 -7.1266E+00 -1.3859E+01 -1.1899E+01 H1 1286 1.008000 0.423800 -6.5480E+00 -1.3804E+01 -1.2713E+01 H2 1287 1.008000 0.423800 -6.5509E+00 -1.3945E+01 -1.1086E+01 O6 1288 15.999400 -0.847600 -1.7494E+01 -9.9027E-02 -4.9170E+00 H1 1289 1.008000 0.423800 -1.7750E+01 -1.0647E+00 -4.8744E+00 H2 1290 1.008000 0.423800 -1.7617E+01 2.3765E-01 -5.8505E+00 O6 1291 15.999400 -0.847600 1.3891E+00 -9.5803E+00 -1.0405E+01 H1 1292 1.008000 0.423800 1.7050E+00 -1.0443E+01 -1.0800E+01 H2 1293 1.008000 0.423800 5.6330E-01 -9.2787E+00 -1.0882E+01 O6 1294 15.999400 -0.847600 7.5023E-01 1.7050E+01 -1.9122E+01 H1 1295 1.008000 0.423800 1.1289E+00 1.7953E+01 -1.9326E+01 H2 1296 1.008000 0.423800 2.5213E-01 1.7086E+01 -1.8256E+01 O6 1297 15.999400 -0.847600 -7.0337E+00 1.4133E+01 7.5775E+00 H1 1298 1.008000 0.423800 -6.8801E+00 1.4864E+01 8.2423E+00 H2 1299 1.008000 0.423800 -6.1557E+00 1.3737E+01 7.3087E+00 O6 1300 15.999400 -0.847600 -5.3031E+00 8.1101E+00 -1.1169E-01 H1 1301 1.008000 0.423800 -4.5365E+00 7.6956E+00 3.7865E-01 H2 1302 1.008000 0.423800 -5.2061E+00 7.9346E+00 -1.0914E+00 O6 1303 15.999400 -0.847600 5.1335E+00 -4.1418E+00 1.4032E+01 H1 1304 1.008000 0.423800 4.2621E+00 -3.8262E+00 1.3656E+01 H2 1305 1.008000 0.423800 5.8014E+00 -3.3985E+00 1.3994E+01 O6 1306 15.999400 -0.847600 9.6905E+00 -1.6028E+01 1.5991E+01 H1 1307 1.008000 0.423800 1.0166E+01 -1.6141E+01 1.5119E+01 H2 1308 1.008000 0.423800 9.5835E+00 -1.5054E+01 1.6189E+01 O6 1309 15.999400 -0.847600 4.7631E+00 5.5981E+00 -1.5028E+01 H1 1310 1.008000 0.423800 4.2738E+00 6.2579E+00 -1.5599E+01 H2 1311 1.008000 0.423800 5.7421E+00 5.8010E+00 -1.5049E+01 O6 1312 15.999400 -0.847600 -3.3305E+00 -5.0256E+00 1.9498E+01 H1 1313 1.008000 0.423800 -2.5629E+00 -5.2307E+00 1.8891E+01 H2 1314 1.008000 0.423800 -3.1561E+00 -4.1652E+00 -1.9121E+01 O6 1315 15.999400 -0.847600 1.8148E+01 -1.6353E+01 7.7251E-01 H1 1316 1.008000 0.423800 1.9093E+01 -1.6572E+01 5.2995E-01 H2 1317 1.008000 0.423800 1.8141E+01 -1.5672E+01 1.5042E+00 O6 1318 15.999400 -0.847600 -1.6753E+01 1.1254E+01 1.6396E+00 H1 1319 1.008000 0.423800 -1.6006E+01 1.1652E+01 2.1737E+00 H2 1320 1.008000 0.423800 -1.7446E+01 1.0886E+01 2.2588E+00 O6 1321 15.999400 -0.847600 -8.8176E+00 4.3917E+00 -1.3450E+01 H1 1322 1.008000 0.423800 -9.5488E+00 3.7284E+00 -1.3610E+01 H2 1323 1.008000 0.423800 -8.2630E+00 4.4816E+00 -1.4277E+01 O6 1324 15.999400 -0.847600 -9.9367E+00 3.2461E+00 -4.1846E+00 H1 1325 1.008000 0.423800 -9.5599E+00 3.0309E+00 -5.0856E+00 H2 1326 1.008000 0.423800 -1.0202E+01 2.3994E+00 -3.7237E+00 O6 1327 15.999400 -0.847600 -7.0315E+00 -4.6180E+00 1.3334E+01 H1 1328 1.008000 0.423800 -7.8498E+00 -4.7328E+00 1.2770E+01 H2 1329 1.008000 0.423800 -6.4637E+00 -5.4385E+00 1.3268E+01 O6 1330 15.999400 -0.847600 1.3942E+01 -9.3420E+00 -1.8128E+01 H1 1331 1.008000 0.423800 1.3856E+01 -8.8521E+00 -1.8996E+01 H2 1332 1.008000 0.423800 1.3467E+01 -8.8342E+00 -1.7410E+01 O6 1333 15.999400 -0.847600 -7.0310E+00 1.4763E+01 -1.5778E+01 H1 1334 1.008000 0.423800 -6.9736E+00 1.5009E+01 -1.6746E+01 H2 1335 1.008000 0.423800 -6.3127E+00 1.5239E+01 -1.5271E+01 O6 1336 15.999400 -0.847600 -7.1546E+00 1.3926E+01 -8.2480E+00 H1 1337 1.008000 0.423800 -7.8613E+00 1.4334E+01 -8.8261E+00 H2 1338 1.008000 0.423800 -6.3685E+00 1.3672E+01 -8.8115E+00 O6 1339 15.999400 -0.847600 1.4282E+01 -1.8121E+01 4.6610E+00 H1 1340 1.008000 0.423800 1.4794E+01 -1.8910E+01 5.0005E+00 H2 1341 1.008000 0.423800 1.3317E+01 -1.8221E+01 4.9012E+00 O6 1342 15.999400 -0.847600 -9.0455E+00 1.8795E+00 1.7162E+01 H1 1343 1.008000 0.423800 -8.2452E+00 1.5257E+00 1.6677E+01 H2 1344 1.008000 0.423800 -9.4468E+00 2.6308E+00 1.6638E+01 O6 1345 15.999400 -0.847600 1.0504E+01 -1.6071E+01 1.8743E+01 H1 1346 1.008000 0.423800 1.1475E+01 -1.5998E+01 1.8969E+01 H2 1347 1.008000 0.423800 1.0390E+01 -1.6035E+01 1.7750E+01 O6 1348 15.999400 -0.847600 8.5316E+00 -5.7007E+00 -1.2627E+01 H1 1349 1.008000 0.423800 8.9357E+00 -6.3503E+00 -1.1983E+01 H2 1350 1.008000 0.423800 7.5477E+00 -5.6349E+00 -1.2461E+01 O6 1351 15.999400 -0.847600 1.4571E+01 3.7987E+00 1.8432E+01 H1 1352 1.008000 0.423800 1.5002E+01 3.0099E+00 1.7993E+01 H2 1353 1.008000 0.423800 1.4035E+01 4.3049E+00 1.7756E+01 O6 1354 15.999400 -0.847600 1.7778E-01 3.5378E+00 1.5507E+01 H1 1355 1.008000 0.423800 -1.4392E-01 4.4818E+00 1.5579E+01 H2 1356 1.008000 0.423800 -2.1045E-01 3.1154E+00 1.4688E+01 O6 1357 15.999400 -0.847600 7.6300E+00 1.1117E+01 1.4970E+01 H1 1358 1.008000 0.423800 8.5733E+00 1.0830E+01 1.5137E+01 H2 1359 1.008000 0.423800 7.0600E+00 1.0859E+01 1.5750E+01 O6 1360 15.999400 -0.847600 -7.8127E+00 -3.0955E+00 -5.2295E+00 H1 1361 1.008000 0.423800 -7.9326E+00 -3.1031E+00 -6.2223E+00 H2 1362 1.008000 0.423800 -8.2067E+00 -2.2571E+00 -4.8526E+00 O6 1363 15.999400 -0.847600 -7.2172E-01 3.1441E+00 1.2020E+00 H1 1364 1.008000 0.423800 -8.8119E-01 2.2241E+00 8.4386E-01 H2 1365 1.008000 0.423800 -1.4736E+00 3.4002E+00 1.8096E+00 O6 1366 15.999400 -0.847600 4.2334E+00 1.2208E+01 1.9529E+01 H1 1367 1.008000 0.423800 3.7552E+00 1.2152E+01 -1.8692E+01 H2 1368 1.008000 0.423800 5.1147E+00 1.2662E+01 -1.9439E+01 O6 1369 15.999400 -0.847600 -6.7134E+00 2.3261E-01 1.9305E-01 H1 1370 1.008000 0.423800 -7.2211E+00 -5.7317E-01 4.9812E-01 H2 1371 1.008000 0.423800 -6.5045E+00 8.1265E-01 9.8037E-01 O6 1372 15.999400 -0.847600 5.8458E+00 -1.4418E+01 7.0388E-01 H1 1373 1.008000 0.423800 5.0704E+00 -1.5005E+01 4.7236E-01 H2 1374 1.008000 0.423800 6.6808E+00 -1.4967E+01 7.4049E-01 O6 1375 15.999400 -0.847600 1.8519E+01 -1.7709E+01 1.5814E+01 H1 1376 1.008000 0.423800 1.8734E+01 -1.8073E+01 1.4908E+01 H2 1377 1.008000 0.423800 1.7527E+01 -1.7708E+01 1.5946E+01 O6 1378 15.999400 -0.847600 1.5218E+01 5.6500E+00 -1.8667E+01 H1 1379 1.008000 0.423800 1.5240E+01 4.9866E+00 -1.9415E+01 H2 1380 1.008000 0.423800 1.5904E+01 5.4036E+00 -1.7983E+01 O6 1381 15.999400 -0.847600 1.8615E+01 4.3526E+00 -7.8054E+00 H1 1382 1.008000 0.423800 -1.9520E+01 4.4143E+00 -7.5438E+00 H2 1383 1.008000 0.423800 1.8523E+01 3.7538E+00 -8.6011E+00 O6 1384 15.999400 -0.847600 1.3741E+01 2.8194E+00 1.4767E+01 H1 1385 1.008000 0.423800 1.3549E+01 3.5486E+00 1.5424E+01 H2 1386 1.008000 0.423800 1.4381E+01 3.1544E+00 1.4075E+01 O6 1387 15.999400 -0.847600 -6.4640E+00 1.2392E+01 1.0761E+00 H1 1388 1.008000 0.423800 -7.4333E+00 1.2580E+01 1.2345E+00 H2 1389 1.008000 0.423800 -6.3689E+00 1.1752E+01 3.1355E-01 O6 1390 15.999400 -0.847600 -5.7185E-01 -6.2806E+00 6.9169E+00 H1 1391 1.008000 0.423800 -1.4690E+00 -6.4535E+00 7.3234E+00 H2 1392 1.008000 0.423800 -3.9774E-01 -5.2960E+00 6.9002E+00 O6 1393 15.999400 -0.847600 1.7118E+01 1.0129E+01 -4.0820E+00 H1 1394 1.008000 0.423800 1.6764E+01 9.2419E+00 -3.7853E+00 H2 1395 1.008000 0.423800 1.6399E+01 1.0819E+01 -4.0006E+00 O6 1396 15.999400 -0.847600 -8.6686E+00 -1.9059E+01 8.5192E+00 H1 1397 1.008000 0.423800 -8.4020E+00 1.9106E+01 8.2775E+00 H2 1398 1.008000 0.423800 -8.0596E+00 -1.8409E+01 8.0637E+00 O6 1399 15.999400 -0.847600 6.2898E+00 1.6611E+01 -9.7979E+00 H1 1400 1.008000 0.423800 6.3353E+00 1.6923E+01 -8.8489E+00 H2 1401 1.008000 0.423800 7.1338E+00 1.6128E+01 -1.0031E+01 O6 1402 15.999400 -0.847600 -1.2468E+00 3.2403E+00 -3.8127E+00 H1 1403 1.008000 0.423800 -8.1845E-01 2.4921E+00 -3.3060E+00 H2 1404 1.008000 0.423800 -9.0349E-01 4.1146E+00 -3.4695E+00 O6 1405 15.999400 -0.847600 1.5338E+01 1.1727E+01 -3.1072E+00 H1 1406 1.008000 0.423800 1.5672E+01 1.2539E+01 -2.6281E+00 H2 1407 1.008000 0.423800 1.4481E+01 1.1423E+01 -2.6899E+00 O6 1408 15.999400 -0.847600 -8.2709E+00 1.9466E+01 4.6401E+00 H1 1409 1.008000 0.423800 -8.3191E+00 1.8647E+01 5.2120E+00 H2 1410 1.008000 0.423800 -9.0958E+00 -1.9082E+01 4.7742E+00 O6 1411 15.999400 -0.847600 -6.5629E+00 1.3644E+01 -1.6515E+00 H1 1412 1.008000 0.423800 -6.0441E+00 1.2954E+01 -1.1461E+00 H2 1413 1.008000 0.423800 -7.3900E+00 1.3228E+01 -2.0295E+00 O6 1414 15.999400 -0.847600 1.3580E+01 -9.0852E+00 -1.2189E+01 H1 1415 1.008000 0.423800 1.4196E+01 -9.2416E+00 -1.2962E+01 H2 1416 1.008000 0.423800 1.3452E+01 -9.9400E+00 -1.1686E+01 O6 1417 15.999400 -0.847600 -1.6836E+01 -9.6279E+00 9.9969E-02 H1 1418 1.008000 0.423800 -1.7325E+01 -8.7735E+00 -7.4279E-02 H2 1419 1.008000 0.423800 -1.6019E+01 -9.4388E+00 6.4481E-01 O6 1420 15.999400 -0.847600 1.6838E+01 -1.8107E+01 -1.9257E+01 H1 1421 1.008000 0.423800 1.7624E+01 -1.8217E+01 1.9234E+01 H2 1422 1.008000 0.423800 1.6085E+01 -1.7684E+01 1.9337E+01 O6 1423 15.999400 -0.847600 6.3458E+00 1.6809E+01 6.8729E-01 H1 1424 1.008000 0.423800 7.0801E+00 1.7142E+01 9.5630E-02 H2 1425 1.008000 0.423800 6.3284E+00 1.7345E+01 1.5309E+00 O6 1426 15.999400 -0.847600 -7.2920E+00 -5.7338E+00 -1.2131E+00 H1 1427 1.008000 0.423800 -7.9311E+00 -5.7830E+00 -1.9806E+00 H2 1428 1.008000 0.423800 -6.3784E+00 -5.9975E+00 -1.5227E+00 O6 1429 15.999400 -0.847600 6.3825E+00 1.7957E+01 1.4391E+01 H1 1430 1.008000 0.423800 6.4386E+00 1.7007E+01 1.4085E+01 H2 1431 1.008000 0.423800 7.0948E+00 1.8495E+01 1.3941E+01 O6 1432 15.999400 -0.847600 -7.0352E+00 7.6732E+00 -1.9365E+01 H1 1433 1.008000 0.423800 -6.9922E+00 8.6520E+00 -1.9164E+01 H2 1434 1.008000 0.423800 -7.9889E+00 7.4005E+00 -1.9491E+01 O6 1435 15.999400 -0.847600 -1.4190E+01 -7.4277E+00 1.9464E+01 H1 1436 1.008000 0.423800 -1.4205E+01 -6.8664E+00 -1.8806E+01 H2 1437 1.008000 0.423800 -1.3330E+01 -7.9370E+00 1.9423E+01 O6 1438 15.999400 -0.847600 -1.0435E+01 7.0532E+00 -9.5039E+00 H1 1439 1.008000 0.423800 -1.0015E+01 7.1059E+00 -1.0410E+01 H2 1440 1.008000 0.423800 -9.7337E+00 7.1855E+00 -8.8034E+00 O6 1441 15.999400 -0.847600 -4.5661E+00 6.6250E+00 4.0920E+00 H1 1442 1.008000 0.423800 -3.6764E+00 7.0692E+00 4.1975E+00 H2 1443 1.008000 0.423800 -4.8107E+00 6.1621E+00 4.9440E+00 O6 1444 15.999400 -0.847600 1.3067E+01 6.7211E+00 -2.8971E+00 H1 1445 1.008000 0.423800 1.2759E+01 7.2179E+00 -3.7085E+00 H2 1446 1.008000 0.423800 1.3126E+01 5.7450E+00 -3.1063E+00 O6 1447 15.999400 -0.847600 4.3257E+00 -1.6511E+01 -1.6523E+01 H1 1448 1.008000 0.423800 3.7084E+00 -1.6314E+01 -1.7285E+01 H2 1449 1.008000 0.423800 5.2563E+00 -1.6628E+01 -1.6870E+01 O6 1450 15.999400 -0.847600 1.7389E+01 -1.3261E+01 -6.9149E+00 H1 1451 1.008000 0.423800 1.7389E+01 -1.2445E+01 -7.4927E+00 H2 1452 1.008000 0.423800 1.6777E+01 -1.3948E+01 -7.3071E+00 O6 1453 15.999400 -0.847600 9.9772E+00 5.2043E+00 1.9424E+01 H1 1454 1.008000 0.423800 1.0282E+01 4.4554E+00 -1.9085E+01 H2 1455 1.008000 0.423800 9.5649E+00 4.8291E+00 1.8594E+01 O6 1456 15.999400 -0.847600 1.1413E+01 -1.3769E+00 -4.6262E+00 H1 1457 1.008000 0.423800 1.0803E+01 -5.9347E-01 -4.7459E+00 H2 1458 1.008000 0.423800 1.0887E+01 -2.2238E+00 -4.7063E+00 O6 1459 15.999400 -0.847600 -1.6283E+01 -1.7238E+01 -1.0367E+01 H1 1460 1.008000 0.423800 -1.6357E+01 -1.8232E+01 -1.0439E+01 H2 1461 1.008000 0.423800 -1.7148E+01 -1.6818E+01 -1.0642E+01 O6 1462 15.999400 -0.847600 1.8963E+01 -1.5146E+01 1.4677E+01 H1 1463 1.008000 0.423800 1.8903E+01 -1.5968E+01 1.5243E+01 H2 1464 1.008000 0.423800 -1.9173E+01 -1.4916E+01 1.4524E+01 O6 1465 15.999400 -0.847600 1.6219E+01 5.8173E+00 -7.4764E+00 H1 1466 1.008000 0.423800 1.5524E+01 5.0998E+00 -7.4210E+00 H2 1467 1.008000 0.423800 1.7122E+01 5.3998E+00 -7.5709E+00 O6 1468 15.999400 -0.847600 9.9846E+00 -5.7945E+00 1.4872E+01 H1 1469 1.008000 0.423800 9.8563E+00 -5.2792E+00 1.4024E+01 H2 1470 1.008000 0.423800 9.5125E+00 -6.6733E+00 1.4802E+01 O6 1471 15.999400 -0.847600 1.6811E+01 1.6822E+01 1.6026E+01 H1 1472 1.008000 0.423800 1.6865E+01 1.6063E+01 1.5377E+01 H2 1473 1.008000 0.423800 1.7256E+01 1.6561E+01 1.6882E+01 O6 1474 15.999400 -0.847600 1.7923E+01 -1.1030E+01 -1.8293E+01 H1 1475 1.008000 0.423800 1.7623E+01 -1.0453E+01 -1.7533E+01 H2 1476 1.008000 0.423800 1.8355E+01 -1.0461E+01 -1.8993E+01 O6 1477 15.999400 -0.847600 4.2701E+00 4.7554E+00 -1.2414E+01 H1 1478 1.008000 0.423800 4.7226E+00 4.9280E+00 -1.3289E+01 H2 1479 1.008000 0.423800 4.8407E+00 5.1021E+00 -1.1670E+01 O6 1480 15.999400 -0.847600 -4.9566E+00 -1.0419E+01 -1.0357E+01 H1 1481 1.008000 0.423800 -5.7033E+00 -1.0536E+01 -1.1012E+01 H2 1482 1.008000 0.423800 -4.3617E+00 -1.1222E+01 -1.0382E+01 O6 1483 15.999400 -0.847600 -3.8513E+00 1.0120E+01 -1.3369E+01 H1 1484 1.008000 0.423800 -4.7278E+00 9.8890E+00 -1.2947E+01 H2 1485 1.008000 0.423800 -3.9628E+00 1.0928E+01 -1.3948E+01 O6 1486 15.999400 -0.847600 1.8268E+01 1.7638E+01 -5.6564E+00 H1 1487 1.008000 0.423800 1.8010E+01 1.6673E+01 -5.7046E+00 H2 1488 1.008000 0.423800 1.8832E+01 1.7873E+01 -6.4484E+00 O6 1489 15.999400 -0.847600 3.8779E+00 -2.8597E+00 -1.0102E+01 H1 1490 1.008000 0.423800 3.8316E+00 -2.4421E+00 -9.1948E+00 H2 1491 1.008000 0.423800 4.5474E+00 -3.6024E+00 -1.0094E+01 O6 1492 15.999400 -0.847600 -1.2893E+01 1.0832E+00 6.8499E+00 H1 1493 1.008000 0.423800 -1.2166E+01 1.4517E+00 6.2708E+00 H2 1494 1.008000 0.423800 -1.2581E+01 1.0548E+00 7.7995E+00 O6 1495 15.999400 -0.847600 -1.2220E+01 -1.4388E+01 1.5662E+01 H1 1496 1.008000 0.423800 -1.2424E+01 -1.5269E+01 1.5234E+01 H2 1497 1.008000 0.423800 -1.1282E+01 -1.4394E+01 1.6006E+01 O6 1498 15.999400 -0.847600 1.5466E+01 1.7597E+01 -5.8511E+00 H1 1499 1.008000 0.423800 1.6405E+01 1.7939E+01 -5.8175E+00 H2 1500 1.008000 0.423800 1.4837E+01 1.8363E+01 -5.9853E+00 O6 1501 15.999400 -0.847600 -1.4273E+01 -1.8692E+01 2.7668E+00 H1 1502 1.008000 0.423800 -1.4991E+01 -1.8711E+01 2.0709E+00 H2 1503 1.008000 0.423800 -1.4621E+01 -1.9089E+01 3.6157E+00 O6 1504 15.999400 -0.847600 7.8012E+00 1.8923E+01 2.7736E+00 H1 1505 1.008000 0.423800 7.6845E+00 1.8558E+01 3.6973E+00 H2 1506 1.008000 0.423800 6.9040E+00 1.9064E+01 2.3551E+00 O6 1507 15.999400 -0.847600 -1.3268E+01 -1.8610E+01 -9.3360E+00 H1 1508 1.008000 0.423800 -1.3418E+01 -1.7850E+01 -8.7044E+00 H2 1509 1.008000 0.423800 -1.2347E+01 -1.8548E+01 -9.7201E+00 O6 1510 15.999400 -0.847600 -9.2029E+00 1.1685E+01 1.5741E+00 H1 1511 1.008000 0.423800 -9.7770E+00 1.2411E+01 1.1950E+00 H2 1512 1.008000 0.423800 -9.1314E+00 1.0938E+01 9.1364E-01 O6 1513 15.999400 -0.847600 1.2571E+01 -1.1152E+01 5.4732E+00 H1 1514 1.008000 0.423800 1.2567E+01 -1.1997E+01 4.9386E+00 H2 1515 1.008000 0.423800 1.1631E+01 -1.0886E+01 5.6837E+00 O6 1516 15.999400 -0.847600 2.2994E+00 -1.0013E+01 2.4544E-01 H1 1517 1.008000 0.423800 1.3635E+00 -1.0017E+01 -1.0698E-01 H2 1518 1.008000 0.423800 2.4017E+00 -1.0736E+01 9.2838E-01 O6 1519 15.999400 -0.847600 1.0443E+01 -3.7422E+00 -1.3180E+01 H1 1520 1.008000 0.423800 1.0844E+01 -3.8504E+00 -1.2270E+01 H2 1521 1.008000 0.423800 9.8555E+00 -4.5264E+00 -1.3381E+01 O6 1522 15.999400 -0.847600 -1.7784E+01 1.0034E+01 -8.6286E+00 H1 1523 1.008000 0.423800 -1.6816E+01 1.0147E+01 -8.4057E+00 H2 1524 1.008000 0.423800 -1.8039E+01 9.0725E+00 -8.5262E+00 O6 1525 15.999400 -0.847600 -1.1901E+01 -1.3101E+01 1.8119E+01 H1 1526 1.008000 0.423800 -1.2347E+01 -1.3330E+01 1.7254E+01 H2 1527 1.008000 0.423800 -1.1236E+01 -1.2370E+01 1.7968E+01 O6 1528 15.999400 -0.847600 7.6050E+00 -1.8205E+01 1.1543E+01 H1 1529 1.008000 0.423800 8.0958E+00 -1.7808E+01 1.0767E+01 H2 1530 1.008000 0.423800 7.1260E+00 -1.7481E+01 1.2039E+01 O6 1531 15.999400 -0.847600 -5.8546E+00 1.0993E+01 -1.3386E+00 H1 1532 1.008000 0.423800 -6.4135E+00 1.0694E+01 -2.1120E+00 H2 1533 1.008000 0.423800 -5.1254E+00 1.0328E+01 -1.1773E+00 O6 1534 15.999400 -0.847600 -1.7355E+01 1.5352E+01 -8.7756E+00 H1 1535 1.008000 0.423800 -1.7485E+01 1.6212E+01 -9.2689E+00 H2 1536 1.008000 0.423800 -1.7994E+01 1.4667E+01 -9.1260E+00 O6 1537 15.999400 -0.847600 1.5564E+01 -1.6486E+01 -1.2241E-01 H1 1538 1.008000 0.423800 1.6496E+01 -1.6587E+01 2.2468E-01 H2 1539 1.008000 0.423800 1.4916E+01 -1.6841E+01 5.5210E-01 O6 1540 15.999400 -0.847600 1.1652E+01 1.8102E+01 7.6187E+00 H1 1541 1.008000 0.423800 1.2478E+01 1.8132E+01 8.1804E+00 H2 1542 1.008000 0.423800 1.1708E+01 1.8800E+01 6.9050E+00 O6 1543 15.999400 -0.847600 1.0904E+01 1.2681E+01 1.6158E+01 H1 1544 1.008000 0.423800 1.1211E+01 1.3270E+01 1.5410E+01 H2 1545 1.008000 0.423800 1.0858E+01 1.1735E+01 1.5839E+01 O6 1546 15.999400 -0.847600 7.5058E+00 4.5450E+00 4.7626E-01 H1 1547 1.008000 0.423800 7.5361E+00 4.5037E+00 -5.2245E-01 H2 1548 1.008000 0.423800 8.4328E+00 4.6588E+00 8.3341E-01 O6 1549 15.999400 -0.847600 -1.4411E+01 1.2495E+01 8.2234E+00 H1 1550 1.008000 0.423800 -1.4639E+01 1.2177E+01 7.3028E+00 H2 1551 1.008000 0.423800 -1.3899E+01 1.3352E+01 8.1635E+00 O6 1552 15.999400 -0.847600 -1.0625E+01 1.0227E+01 -1.2277E+01 H1 1553 1.008000 0.423800 -9.8474E+00 1.0349E+01 -1.1660E+01 H2 1554 1.008000 0.423800 -1.1417E+01 9.9091E+00 -1.1756E+01 O6 1555 15.999400 -0.847600 2.5385E+00 1.9013E+01 1.0286E+00 H1 1556 1.008000 0.423800 2.3978E+00 -1.9102E+01 9.1181E-01 H2 1557 1.008000 0.423800 2.5128E+00 1.8564E+01 1.3536E-01 O6 1558 15.999400 -0.847600 1.7235E+01 -1.3555E+01 6.9486E+00 H1 1559 1.008000 0.423800 1.6627E+01 -1.3001E+01 6.3795E+00 H2 1560 1.008000 0.423800 1.6998E+01 -1.4521E+01 6.8464E+00 O6 1561 15.999400 -0.847600 -1.4772E+01 -7.1762E-01 -3.8915E+00 H1 1562 1.008000 0.423800 -1.4890E+01 2.4396E-01 -4.1395E+00 H2 1563 1.008000 0.423800 -1.4153E+01 -7.8649E-01 -3.1091E+00 O6 1564 15.999400 -0.847600 -1.0149E+01 1.8651E+00 -1.7430E+01 H1 1565 1.008000 0.423800 -9.2120E+00 1.8500E+00 -1.7780E+01 H2 1566 1.008000 0.423800 -1.0640E+01 1.0586E+00 -1.7759E+01 O6 1567 15.999400 -0.847600 1.2838E+00 1.6967E+01 -1.5081E+01 H1 1568 1.008000 0.423800 1.6771E+00 1.6112E+01 -1.5418E+01 H2 1569 1.008000 0.423800 3.8126E-01 1.7103E+01 -1.5490E+01 O6 1570 15.999400 -0.847600 -1.2174E+01 -3.0441E+00 1.4237E+01 H1 1571 1.008000 0.423800 -1.2997E+01 -2.7347E+00 1.4713E+01 H2 1572 1.008000 0.423800 -1.1527E+01 -2.2848E+00 1.4162E+01 O6 1573 15.999400 -0.847600 -4.2076E+00 -4.4306E+00 -1.5669E+01 H1 1574 1.008000 0.423800 -3.7385E+00 -5.2296E+00 -1.5293E+01 H2 1575 1.008000 0.423800 -5.1203E+00 -4.6957E+00 -1.5980E+01 O6 1576 15.999400 -0.847600 -1.9199E+01 -6.3575E+00 1.8068E+01 H1 1577 1.008000 0.423800 -1.8275E+01 -6.7040E+00 1.7910E+01 H2 1578 1.008000 0.423800 1.9488E+01 -6.0930E+00 1.7195E+01 O6 1579 15.999400 -0.847600 -1.2533E+01 -1.3665E+01 -1.8891E+00 H1 1580 1.008000 0.423800 -1.2497E+01 -1.4652E+01 -2.0430E+00 H2 1581 1.008000 0.423800 -1.2106E+01 -1.3449E+01 -1.0108E+00 O6 1582 15.999400 -0.847600 -9.4688E+00 -5.0427E+00 1.1985E+01 H1 1583 1.008000 0.423800 -9.2934E+00 -5.9282E+00 1.1554E+01 H2 1584 1.008000 0.423800 -1.0024E+01 -5.1754E+00 1.2806E+01 O6 1585 15.999400 -0.847600 6.4381E+00 -3.9050E+00 1.8441E+01 H1 1586 1.008000 0.423800 6.2527E+00 -4.7850E+00 1.8004E+01 H2 1587 1.008000 0.423800 6.7484E+00 -4.0579E+00 1.9380E+01 O6 1588 15.999400 -0.847600 8.3349E+00 6.2001E+00 2.9278E+00 H1 1589 1.008000 0.423800 8.4675E+00 7.1662E+00 3.1494E+00 H2 1590 1.008000 0.423800 7.4169E+00 6.0668E+00 2.5544E+00 O6 1591 15.999400 -0.847600 -1.2754E+01 -1.2499E+01 -1.3152E+01 H1 1592 1.008000 0.423800 -1.2750E+01 -1.2615E+01 -1.2159E+01 H2 1593 1.008000 0.423800 -1.3009E+01 -1.1559E+01 -1.3377E+01 O6 1594 15.999400 -0.847600 4.4721E+00 1.8764E+00 8.3547E+00 H1 1595 1.008000 0.423800 3.5973E+00 2.3592E+00 8.3134E+00 H2 1596 1.008000 0.423800 4.8252E+00 1.9059E+00 9.2898E+00 O6 1597 15.999400 -0.847600 -1.9204E+01 -1.3913E+00 1.1444E+01 H1 1598 1.008000 0.423800 -1.8481E+01 -1.5017E+00 1.0763E+01 H2 1599 1.008000 0.423800 1.9410E+01 -2.2589E+00 1.1560E+01 O6 1600 15.999400 -0.847600 1.2912E+01 -6.1959E+00 -1.9011E+01 H1 1601 1.008000 0.423800 1.2526E+01 -5.3515E+00 -1.9382E+01 H2 1602 1.008000 0.423800 1.2943E+01 -6.1369E+00 -1.8013E+01 O6 1603 15.999400 -0.847600 -1.9244E+01 -5.1268E+00 -1.0596E+01 H1 1604 1.008000 0.423800 1.9391E+01 -4.2891E+00 -1.0305E+01 H2 1605 1.008000 0.423800 -1.8432E+01 -4.8911E+00 -1.1128E+01 O6 1606 15.999400 -0.847600 -7.5420E+00 1.2665E+01 1.4447E+01 H1 1607 1.008000 0.423800 -7.0266E+00 1.2190E+01 1.3734E+01 H2 1608 1.008000 0.423800 -6.9089E+00 1.3161E+01 1.5041E+01 O6 1609 15.999400 -0.847600 1.9168E+01 3.7892E+00 5.9380E+00 H1 1610 1.008000 0.423800 1.8582E+01 3.5733E+00 5.1573E+00 H2 1611 1.008000 0.423800 -1.9169E+01 3.1407E+00 5.9731E+00 O6 1612 15.999400 -0.847600 -5.4332E+00 -1.2756E+01 1.8034E+01 H1 1613 1.008000 0.423800 -4.5086E+00 -1.2872E+01 1.7671E+01 H2 1614 1.008000 0.423800 -5.3989E+00 -1.2735E+01 1.9033E+01 O6 1615 15.999400 -0.847600 2.7354E-02 -1.6687E+01 1.6042E+01 H1 1616 1.008000 0.423800 -2.5989E-01 -1.6722E+01 1.5085E+01 H2 1617 1.008000 0.423800 8.6214E-01 -1.7225E+01 1.6159E+01 O6 1618 15.999400 -0.847600 1.5814E+01 9.2760E+00 1.0187E+00 H1 1619 1.008000 0.423800 1.5599E+01 8.9507E+00 9.7646E-02 H2 1620 1.008000 0.423800 1.6753E+01 9.6170E+00 1.0414E+00 O6 1621 15.999400 -0.847600 -1.9169E+01 -1.3464E+01 -1.0394E+01 H1 1622 1.008000 0.423800 -1.8878E+01 -1.4412E+01 -1.0261E+01 H2 1623 1.008000 0.423800 -1.8907E+01 -1.3161E+01 -1.1310E+01 O6 1624 15.999400 -0.847600 -7.8988E+00 8.6631E+00 -1.4801E+01 H1 1625 1.008000 0.423800 -7.2016E+00 8.8250E+00 -1.4103E+01 H2 1626 1.008000 0.423800 -7.6907E+00 7.8156E+00 -1.5289E+01 O6 1627 15.999400 -0.847600 1.0742E+01 4.7747E+00 1.5231E+01 H1 1628 1.008000 0.423800 1.0528E+01 3.8065E+00 1.5361E+01 H2 1629 1.008000 0.423800 1.0720E+01 4.9923E+00 1.4255E+01 O6 1630 15.999400 -0.847600 -5.7860E+00 -8.3718E+00 1.9218E+01 H1 1631 1.008000 0.423800 -5.3004E+00 -8.8260E+00 1.8471E+01 H2 1632 1.008000 0.423800 -6.5530E+00 -8.9420E+00 1.9513E+01 O6 1633 15.999400 -0.847600 -1.0323E+00 5.9170E+00 1.5732E+01 H1 1634 1.008000 0.423800 -3.1813E-01 6.3592E+00 1.5190E+01 H2 1635 1.008000 0.423800 -8.5325E-01 6.0673E+00 1.6704E+01 O6 1636 15.999400 -0.847600 -1.0539E+01 -1.3814E+01 -1.7627E+01 H1 1637 1.008000 0.423800 -1.1072E+01 -1.4569E+01 -1.8008E+01 H2 1638 1.008000 0.423800 -1.1098E+01 -1.3311E+01 -1.6968E+01 O6 1639 15.999400 -0.847600 -1.2631E-01 1.0291E+01 3.6510E+00 H1 1640 1.008000 0.423800 6.8724E-01 1.0408E+01 4.2207E+00 H2 1641 1.008000 0.423800 -3.1536E-01 1.1143E+01 3.1620E+00 O6 1642 15.999400 -0.847600 -9.5852E+00 7.0140E+00 -1.9231E+01 H1 1643 1.008000 0.423800 -1.0431E+01 6.6679E+00 -1.8825E+01 H2 1644 1.008000 0.423800 -9.3839E+00 6.5043E+00 1.9030E+01 O6 1645 15.999400 -0.847600 1.7413E+01 1.8262E+01 -9.7500E+00 H1 1646 1.008000 0.423800 1.6572E+01 1.7831E+01 -9.4217E+00 H2 1647 1.008000 0.423800 1.8093E+01 1.8268E+01 -9.0166E+00 O6 1648 15.999400 -0.847600 -1.3286E+01 -9.5921E+00 -1.3807E+01 H1 1649 1.008000 0.423800 -1.3458E+01 -8.7990E+00 -1.3223E+01 H2 1650 1.008000 0.423800 -1.3507E+01 -9.3612E+00 -1.4755E+01 O6 1651 15.999400 -0.847600 5.3050E+00 4.9100E+00 1.1409E+01 H1 1652 1.008000 0.423800 5.1396E+00 5.0424E+00 1.2386E+01 H2 1653 1.008000 0.423800 5.1879E+00 3.9439E+00 1.1179E+01 O6 1654 15.999400 -0.847600 -1.2224E+01 -5.1117E+00 1.1710E+01 H1 1655 1.008000 0.423800 -1.2890E+01 -4.3744E+00 1.1594E+01 H2 1656 1.008000 0.423800 -1.1782E+01 -5.0248E+00 1.2603E+01 O6 1657 15.999400 -0.847600 -5.0471E+00 2.2514E+00 -9.6696E+00 H1 1658 1.008000 0.423800 -5.4709E+00 2.5330E+00 -1.0530E+01 H2 1659 1.008000 0.423800 -5.6903E+00 2.3976E+00 -8.9180E+00 O6 1660 15.999400 -0.847600 -1.1044E+01 -1.4041E+01 4.0569E+00 H1 1661 1.008000 0.423800 -1.1837E+01 -1.4589E+01 4.3223E+00 H2 1662 1.008000 0.423800 -1.0906E+01 -1.3309E+01 4.7247E+00 O6 1663 15.999400 -0.847600 -5.4997E+00 9.5403E+00 -7.1311E+00 H1 1664 1.008000 0.423800 -4.6403E+00 9.6105E+00 -7.6376E+00 H2 1665 1.008000 0.423800 -5.3043E+00 9.4332E+00 -6.1563E+00 O6 1666 15.999400 -0.847600 1.8227E+01 1.1355E+01 1.2412E+01 H1 1667 1.008000 0.423800 1.7549E+01 1.2028E+01 1.2117E+01 H2 1668 1.008000 0.423800 1.8608E+01 1.1630E+01 1.3295E+01 O6 1669 15.999400 -0.847600 -9.4502E-01 1.7019E+01 5.0741E+00 H1 1670 1.008000 0.423800 -2.2607E-01 1.6423E+01 4.7152E+00 H2 1671 1.008000 0.423800 -1.5740E+00 1.7264E+01 4.3363E+00 O6 1672 15.999400 -0.847600 1.0288E+01 -4.9419E+00 6.2250E+00 H1 1673 1.008000 0.423800 1.0856E+01 -4.1259E+00 6.3356E+00 H2 1674 1.008000 0.423800 9.3736E+00 -4.7633E+00 6.5878E+00 O6 1675 15.999400 -0.847600 1.7074E+01 2.4798E+00 1.7631E+01 H1 1676 1.008000 0.423800 1.7046E+01 1.8029E+00 1.6896E+01 H2 1677 1.008000 0.423800 1.7423E+01 2.0518E+00 1.8465E+01 O6 1678 15.999400 -0.847600 6.6903E+00 1.3490E+01 -1.9309E+01 H1 1679 1.008000 0.423800 7.0544E+00 1.2907E+01 -1.8583E+01 H2 1680 1.008000 0.423800 7.3810E+00 1.3604E+01 1.9074E+01 O6 1681 15.999400 -0.847600 2.1238E+00 -1.2870E+01 -7.8179E+00 H1 1682 1.008000 0.423800 1.9796E+00 -1.3531E+01 -8.5548E+00 H2 1683 1.008000 0.423800 2.8941E+00 -1.3165E+01 -7.2524E+00 O6 1684 15.999400 -0.847600 1.8624E+01 -5.2560E+00 -1.4089E+01 H1 1685 1.008000 0.423800 1.8069E+01 -4.5125E+00 -1.3716E+01 H2 1686 1.008000 0.423800 1.9373E+01 -5.4607E+00 -1.3459E+01 O6 1687 15.999400 -0.847600 1.4399E+01 1.4540E+01 1.0008E+01 H1 1688 1.008000 0.423800 1.5270E+01 1.4937E+01 9.7174E+00 H2 1689 1.008000 0.423800 1.4100E+01 1.3865E+01 9.3333E+00 O6 1690 15.999400 -0.847600 -4.5969E+00 -1.6778E+01 -1.4415E+01 H1 1691 1.008000 0.423800 -4.4180E+00 -1.7741E+01 -1.4617E+01 H2 1692 1.008000 0.423800 -3.7425E+00 -1.6262E+01 -1.4471E+01 O6 1693 15.999400 -0.847600 1.9466E+01 -1.3877E+01 -9.3797E-01 H1 1694 1.008000 0.423800 1.9202E+01 -1.4705E+01 -1.4336E+00 H2 1695 1.008000 0.423800 -1.9316E+01 -1.4124E+01 -2.1903E-02 O6 1696 15.999400 -0.847600 -1.8502E+01 1.5236E+01 -5.9082E+00 H1 1697 1.008000 0.423800 -1.8390E+01 1.6194E+01 -5.6457E+00 H2 1698 1.008000 0.423800 -1.7889E+01 1.5025E+01 -6.6695E+00 O6 1699 15.999400 -0.847600 -1.8452E+01 1.7600E+01 -1.5624E+01 H1 1700 1.008000 0.423800 -1.7677E+01 1.7469E+01 -1.5006E+01 H2 1701 1.008000 0.423800 -1.9261E+01 1.7854E+01 -1.5094E+01 O6 1702 15.999400 -0.847600 1.1103E+01 1.1091E+01 -1.7259E+01 H1 1703 1.008000 0.423800 1.1167E+01 1.0785E+01 -1.8209E+01 H2 1704 1.008000 0.423800 1.1777E+01 1.1812E+01 -1.7094E+01 O6 1705 15.999400 -0.847600 1.8011E+01 -7.7119E+00 -1.7124E+01 H1 1706 1.008000 0.423800 1.7961E+01 -8.5348E+00 -1.6558E+01 H2 1707 1.008000 0.423800 1.7086E+01 -7.4064E+00 -1.7350E+01 O6 1708 15.999400 -0.847600 1.5981E+01 7.0506E+00 1.4177E+01 H1 1709 1.008000 0.423800 1.6357E+01 7.6412E+00 1.3463E+01 H2 1710 1.008000 0.423800 1.6352E+01 6.1274E+00 1.4076E+01 O6 1711 15.999400 -0.847600 -1.8872E+01 1.5972E+01 1.3904E+01 H1 1712 1.008000 0.423800 -1.9505E+01 1.5796E+01 1.3151E+01 H2 1713 1.008000 0.423800 -1.9239E+01 1.6700E+01 1.4484E+01 O6 1714 15.999400 -0.847600 -1.5694E+01 -1.3148E+01 -1.0428E+01 H1 1715 1.008000 0.423800 -1.5963E+01 -1.3353E+01 -1.1369E+01 H2 1716 1.008000 0.423800 -1.5266E+01 -1.3955E+01 -1.0021E+01 O6 1717 15.999400 -0.847600 9.7343E+00 -6.1856E+00 -1.5912E+01 H1 1718 1.008000 0.423800 1.0454E+01 -6.3916E+00 -1.5249E+01 H2 1719 1.008000 0.423800 9.7919E+00 -6.8271E+00 -1.6677E+01 O6 1720 15.999400 -0.847600 -1.3989E+01 1.6785E+01 1.2209E+01 H1 1721 1.008000 0.423800 -1.3716E+01 1.6844E+01 1.3170E+01 H2 1722 1.008000 0.423800 -1.4200E+01 1.5834E+01 1.1981E+01 O6 1723 15.999400 -0.847600 1.1704E+01 1.4875E+01 1.4537E+01 H1 1724 1.008000 0.423800 1.2656E+01 1.5103E+01 1.4740E+01 H2 1725 1.008000 0.423800 1.1525E+01 1.5026E+01 1.3565E+01 O6 1726 15.999400 -0.847600 -4.5733E+00 -3.8020E-02 9.7493E+00 H1 1727 1.008000 0.423800 -5.4451E+00 -4.8724E-01 9.5538E+00 H2 1728 1.008000 0.423800 -3.9749E+00 -6.7119E-01 1.0240E+01 O6 1729 15.999400 -0.847600 9.9992E+00 1.8500E+01 1.2228E+01 H1 1730 1.008000 0.423800 9.4488E+00 1.8843E+01 1.2990E+01 H2 1731 1.008000 0.423800 1.0306E+01 1.7570E+01 1.2431E+01 O6 1732 15.999400 -0.847600 -9.6967E-01 1.8719E+00 5.0748E+00 H1 1733 1.008000 0.423800 -1.8276E+00 2.3595E+00 5.2364E+00 H2 1734 1.008000 0.423800 -1.1678E+00 9.5198E-01 4.7364E+00 O6 1735 15.999400 -0.847600 1.9001E+01 1.6774E+01 2.6916E+00 H1 1736 1.008000 0.423800 1.9309E+01 1.5997E+01 3.2408E+00 H2 1737 1.008000 0.423800 1.9527E+01 1.7587E+01 2.9399E+00 O6 1738 15.999400 -0.847600 -8.1263E+00 -1.8346E+01 -1.4745E+01 H1 1739 1.008000 0.423800 -7.9081E+00 -1.8092E+01 -1.3803E+01 H2 1740 1.008000 0.423800 -8.5507E+00 -1.9251E+01 -1.4756E+01 O6 1741 15.999400 -0.847600 5.8003E+00 -5.9095E+00 -1.1702E+01 H1 1742 1.008000 0.423800 5.2477E+00 -6.6582E+00 -1.1335E+01 H2 1743 1.008000 0.423800 6.0950E+00 -5.3157E+00 -1.0953E+01 O6 1744 15.999400 -0.847600 1.5914E+01 -1.5489E+01 -1.7710E+01 H1 1745 1.008000 0.423800 1.5617E+01 -1.5747E+01 -1.6790E+01 H2 1746 1.008000 0.423800 1.6399E+01 -1.6255E+01 -1.8131E+01 O6 1747 15.999400 -0.847600 1.1400E+01 7.4488E+00 1.9517E+01 H1 1748 1.008000 0.423800 1.0896E+01 6.6101E+00 1.9310E+01 H2 1749 1.008000 0.423800 1.1779E+01 7.8269E+00 1.8673E+01 O6 1750 15.999400 -0.847600 6.2481E+00 2.6405E-01 1.5452E+01 H1 1751 1.008000 0.423800 6.6253E+00 -4.1853E-01 1.4826E+01 H2 1752 1.008000 0.423800 6.2314E+00 -1.0799E-01 1.6380E+01 O6 1753 15.999400 -0.847600 -1.5986E+01 1.4211E-01 -1.8594E+01 H1 1754 1.008000 0.423800 -1.6147E+01 3.3311E-01 1.9535E+01 H2 1755 1.008000 0.423800 -1.6044E+01 -8.4337E-01 -1.8435E+01 O6 1756 15.999400 -0.847600 -3.6307E+00 5.6431E+00 -1.8552E+01 H1 1757 1.008000 0.423800 -4.2861E+00 5.5615E+00 -1.9302E+01 H2 1758 1.008000 0.423800 -3.5957E+00 6.5932E+00 -1.8242E+01 O6 1759 15.999400 -0.847600 -2.8182E+00 1.8408E+01 -8.5655E+00 H1 1760 1.008000 0.423800 -2.6350E+00 1.7612E+01 -7.9892E+00 H2 1761 1.008000 0.423800 -3.7245E+00 1.8773E+01 -8.3517E+00 O6 1762 15.999400 -0.847600 -1.8239E+01 7.4884E-01 1.5779E+01 H1 1763 1.008000 0.423800 -1.7701E+01 8.5713E-01 1.6615E+01 H2 1764 1.008000 0.423800 -1.8501E+01 1.6494E+00 1.5433E+01 O6 1765 15.999400 -0.847600 9.9360E-01 2.9403E+00 1.1437E+01 H1 1766 1.008000 0.423800 1.0961E+00 3.8079E+00 1.0950E+01 H2 1767 1.008000 0.423800 1.9580E-01 2.9874E+00 1.2038E+01 O6 1768 15.999400 -0.847600 4.5592E+00 1.8026E+01 -1.7782E+01 H1 1769 1.008000 0.423800 5.5304E+00 1.8133E+01 -1.7569E+01 H2 1770 1.008000 0.423800 4.2558E+00 1.7114E+01 -1.7504E+01 O6 1771 15.999400 -0.847600 -9.9770E-01 -1.2057E+00 1.2760E+01 H1 1772 1.008000 0.423800 -1.3314E+00 -3.2186E-01 1.3088E+01 H2 1773 1.008000 0.423800 -6.7620E-01 -1.7491E+00 1.3535E+01 O6 1774 15.999400 -0.847600 -2.9493E+00 2.0477E+00 8.9409E+00 H1 1775 1.008000 0.423800 -2.1019E+00 1.6986E+00 8.5410E+00 H2 1776 1.008000 0.423800 -3.5560E+00 1.2825E+00 9.1565E+00 O6 1777 15.999400 -0.847600 -1.1103E+01 -3.6312E+00 -4.4303E+00 H1 1778 1.008000 0.423800 -1.0755E+01 -4.0405E+00 -5.2741E+00 H2 1779 1.008000 0.423800 -1.1306E+01 -2.6648E+00 -4.5876E+00 O6 1780 15.999400 -0.847600 -4.9856E+00 5.4993E+00 -9.0322E+00 H1 1781 1.008000 0.423800 -5.2621E+00 5.3113E+00 -9.9747E+00 H2 1782 1.008000 0.423800 -4.1991E+00 4.9289E+00 -8.7956E+00 O6 1783 15.999400 -0.847600 -5.9835E+00 1.5203E+01 -1.8665E+01 H1 1784 1.008000 0.423800 -6.1907E+00 1.4828E+01 1.9529E+01 H2 1785 1.008000 0.423800 -5.8868E+00 1.6196E+01 -1.8731E+01 O6 1786 15.999400 -0.847600 -1.2895E+01 1.7524E+01 4.6770E-01 H1 1787 1.008000 0.423800 -1.3524E+01 1.6748E+01 5.0077E-01 H2 1788 1.008000 0.423800 -1.2429E+01 1.7614E+01 1.3483E+00 O6 1789 15.999400 -0.847600 3.8822E+00 -1.6873E+01 1.7470E+01 H1 1790 1.008000 0.423800 4.1500E+00 -1.7470E+01 1.8226E+01 H2 1791 1.008000 0.423800 4.4403E+00 -1.6043E+01 1.7487E+01 O6 1792 15.999400 -0.847600 -8.7460E+00 1.6606E+01 -6.5115E+00 H1 1793 1.008000 0.423800 -9.1327E+00 1.6571E+01 -7.4331E+00 H2 1794 1.008000 0.423800 -7.8221E+00 1.6224E+01 -6.5230E+00 O6 1795 15.999400 -0.847600 1.5411E+01 -2.8366E+00 -5.5921E+00 H1 1796 1.008000 0.423800 1.6122E+01 -2.6611E+00 -6.2731E+00 H2 1797 1.008000 0.423800 1.4972E+01 -3.7136E+00 -5.7874E+00 O6 1798 15.999400 -0.847600 -3.9291E+00 -6.0058E+00 5.6147E+00 H1 1799 1.008000 0.423800 -4.8291E+00 -5.6924E+00 5.9179E+00 H2 1800 1.008000 0.423800 -3.4102E+00 -6.3401E+00 6.4015E+00 O6 1801 15.999400 -0.847600 1.2893E+00 -1.9231E+01 -1.1368E+01 H1 1802 1.008000 0.423800 1.2263E+00 -1.9414E+01 -1.2349E+01 H2 1803 1.008000 0.423800 3.8383E-01 -1.8997E+01 -1.1013E+01 O6 1804 15.999400 -0.847600 -6.3561E+00 9.4590E+00 -1.2364E+01 H1 1805 1.008000 0.423800 -6.5006E+00 1.0428E+01 -1.2164E+01 H2 1806 1.008000 0.423800 -6.8714E+00 8.9037E+00 -1.1711E+01 O6 1807 15.999400 -0.847600 -2.5690E+00 -5.2081E+00 -5.1963E-01 H1 1808 1.008000 0.423800 -2.0165E+00 -5.8120E+00 -1.0942E+00 H2 1809 1.008000 0.423800 -2.5360E+00 -4.2780E+00 -8.8542E-01 O6 1810 15.999400 -0.847600 7.1072E+00 1.7634E+01 5.0801E+00 H1 1811 1.008000 0.423800 7.7029E+00 1.7296E+01 5.8086E+00 H2 1812 1.008000 0.423800 6.4465E+00 1.8280E+01 5.4630E+00 O6 1813 15.999400 -0.847600 -1.5920E+01 -4.1773E+00 4.7243E+00 H1 1814 1.008000 0.423800 -1.6141E+01 -4.4049E+00 3.7759E+00 H2 1815 1.008000 0.423800 -1.6378E+01 -3.3252E+00 4.9778E+00 O6 1816 15.999400 -0.847600 -3.6678E-01 6.0653E+00 -3.5953E+00 H1 1817 1.008000 0.423800 -1.0982E+00 6.6855E+00 -3.8789E+00 H2 1818 1.008000 0.423800 4.5389E-01 6.5944E+00 -3.3796E+00 O6 1819 15.999400 -0.847600 1.3324E+01 1.3894E+00 1.0724E+01 H1 1820 1.008000 0.423800 1.2853E+01 2.2545E+00 1.0551E+01 H2 1821 1.008000 0.423800 1.2857E+01 8.9659E-01 1.1458E+01 O6 1822 15.999400 -0.847600 1.8639E+01 3.1517E+00 -1.0206E+01 H1 1823 1.008000 0.423800 1.8998E+01 2.5692E+00 -1.0935E+01 H2 1824 1.008000 0.423800 1.8681E+01 4.1088E+00 -1.0492E+01 O6 1825 15.999400 -0.847600 6.9413E+00 9.0263E+00 -6.9169E-02 H1 1826 1.008000 0.423800 6.9449E+00 9.3610E+00 8.7315E-01 H2 1827 1.008000 0.423800 7.8342E+00 8.6316E+00 -2.8604E-01 O6 1828 15.999400 -0.847600 1.6204E+00 -4.7881E+00 -6.5687E-01 H1 1829 1.008000 0.423800 1.4548E+00 -5.5996E+00 -9.6390E-02 H2 1830 1.008000 0.423800 1.3698E+00 -3.9694E+00 -1.4021E-01 O6 1831 15.999400 -0.847600 -1.6928E+01 9.5239E+00 -1.4709E+01 H1 1832 1.008000 0.423800 -1.6966E+01 1.0421E+01 -1.4268E+01 H2 1833 1.008000 0.423800 -1.7215E+01 9.6092E+00 -1.5663E+01 O6 1834 15.999400 -0.847600 8.9125E+00 1.6588E+01 7.0951E+00 H1 1835 1.008000 0.423800 9.7147E+00 1.5991E+01 7.0959E+00 H2 1836 1.008000 0.423800 8.1588E+00 1.6135E+01 7.5703E+00 O6 1837 15.999400 -0.847600 -1.1987E+01 -1.6268E+01 -2.9770E+00 H1 1838 1.008000 0.423800 -1.1261E+01 -1.6078E+01 -3.6384E+00 H2 1839 1.008000 0.423800 -1.1745E+01 -1.7076E+01 -2.4399E+00 O6 1840 15.999400 -0.847600 2.0136E+00 4.3998E-01 -6.5266E+00 H1 1841 1.008000 0.423800 1.2189E+00 -9.6252E-02 -6.2420E+00 H2 1842 1.008000 0.423800 1.8014E+00 1.4145E+00 -6.4538E+00 O6 1843 15.999400 -0.847600 1.5713E+01 8.1601E+00 -1.4273E+00 H1 1844 1.008000 0.423800 1.4786E+01 7.8526E+00 -1.6400E+00 H2 1845 1.008000 0.423800 1.6255E+01 8.1909E+00 -2.2672E+00 O6 1846 15.999400 -0.847600 -1.2992E+01 9.5382E+00 -1.0991E+01 H1 1847 1.008000 0.423800 -1.2703E+01 8.6260E+00 -1.0700E+01 H2 1848 1.008000 0.423800 -1.3206E+01 1.0092E+01 -1.0186E+01 O6 1849 15.999400 -0.847600 1.4498E+01 2.7020E+00 -4.6048E+00 H1 1850 1.008000 0.423800 1.5310E+01 3.2849E+00 -4.6140E+00 H2 1851 1.008000 0.423800 1.3679E+01 3.2725E+00 -4.5384E+00 O6 1852 15.999400 -0.847600 -1.8991E+01 7.1671E+00 4.8411E+00 H1 1853 1.008000 0.423800 -1.8125E+01 7.4503E+00 4.4281E+00 H2 1854 1.008000 0.423800 -1.8825E+01 6.8416E+00 5.7720E+00 O6 1855 15.999400 -0.847600 1.2240E+01 -1.7884E+01 -1.0476E+01 H1 1856 1.008000 0.423800 1.1260E+01 -1.7974E+01 -1.0655E+01 H2 1857 1.008000 0.423800 1.2481E+01 -1.8414E+01 -9.6633E+00 O6 1858 15.999400 -0.847600 8.1932E+00 -1.3132E+01 9.7326E+00 H1 1859 1.008000 0.423800 8.9509E+00 -1.3325E+01 9.1093E+00 H2 1860 1.008000 0.423800 8.5272E+00 -1.3138E+01 1.0675E+01 O6 1861 15.999400 -0.847600 1.5491E+01 -1.1882E+01 1.7649E+01 H1 1862 1.008000 0.423800 1.5056E+01 -1.1879E+01 1.8550E+01 H2 1863 1.008000 0.423800 1.4985E+01 -1.1279E+01 1.7033E+01 O6 1864 15.999400 -0.847600 -1.3691E+01 1.4557E+01 6.2974E+00 H1 1865 1.008000 0.423800 -1.4024E+01 1.5220E+01 6.9682E+00 H2 1866 1.008000 0.423800 -1.3838E+01 1.4915E+01 5.3749E+00 O6 1867 15.999400 -0.847600 -4.8678E+00 3.7232E+00 8.1047E+00 H1 1868 1.008000 0.423800 -4.0289E+00 3.2688E+00 8.4043E+00 H2 1869 1.008000 0.423800 -5.3065E+00 3.1764E+00 7.3915E+00 O6 1870 15.999400 -0.847600 -1.2145E+00 5.5501E-01 1.7555E-01 H1 1871 1.008000 0.423800 -5.1528E-01 -1.5700E-01 1.1150E-01 H2 1872 1.008000 0.423800 -1.8978E+00 2.9079E-01 8.5622E-01 O6 1873 15.999400 -0.847600 -8.6992E+00 -1.8720E+01 -3.3339E+00 H1 1874 1.008000 0.423800 -9.1259E+00 1.9495E+01 -3.1352E+00 H2 1875 1.008000 0.423800 -8.1358E+00 -1.8800E+01 -4.1562E+00 O6 1876 15.999400 -0.847600 4.4922E-01 1.9049E+01 1.1429E+01 H1 1877 1.008000 0.423800 -1.9013E-01 1.8982E+01 1.2195E+01 H2 1878 1.008000 0.423800 1.6528E-01 -1.9307E+01 1.0822E+01 O6 1879 15.999400 -0.847600 -2.4501E+00 4.0074E+00 3.0675E+00 H1 1880 1.008000 0.423800 -2.7676E+00 3.8908E+00 4.0086E+00 H2 1881 1.008000 0.423800 -3.0213E+00 3.4631E+00 2.4532E+00 O6 1882 15.999400 -0.847600 7.8780E+00 -8.6851E+00 -9.0563E+00 H1 1883 1.008000 0.423800 8.2250E+00 -7.8041E+00 -8.7348E+00 H2 1884 1.008000 0.423800 8.2536E+00 -8.8808E+00 -9.9621E+00 O6 1885 15.999400 -0.847600 -1.7807E+01 -8.6831E-01 8.7653E+00 H1 1886 1.008000 0.423800 -1.8741E+01 -1.0455E+00 8.4542E+00 H2 1887 1.008000 0.423800 -1.7250E+01 -1.6880E+00 8.6317E+00 O6 1888 15.999400 -0.847600 -1.3000E+01 -1.6403E+01 -7.4511E+00 H1 1889 1.008000 0.423800 -1.3733E+01 -1.6035E+01 -8.0238E+00 H2 1890 1.008000 0.423800 -1.2220E+01 -1.5778E+01 -7.4661E+00 O6 1891 15.999400 -0.847600 -1.5621E+01 -1.0611E+01 4.5715E+00 H1 1892 1.008000 0.423800 -1.5389E+01 -1.0928E+01 3.6518E+00 H2 1893 1.008000 0.423800 -1.6480E+01 -1.0100E+01 4.5412E+00 O6 1894 15.999400 -0.847600 2.2609E+00 7.0918E+00 7.3489E+00 H1 1895 1.008000 0.423800 1.4268E+00 6.5663E+00 7.5165E+00 H2 1896 1.008000 0.423800 3.0180E+00 6.6881E+00 7.8625E+00 O6 1897 15.999400 -0.847600 9.8724E+00 8.1869E-01 -4.4743E+00 H1 1898 1.008000 0.423800 9.7116E+00 1.4532E+00 -5.2303E+00 H2 1899 1.008000 0.423800 9.9882E+00 1.3343E+00 -3.6254E+00 O6 1900 15.999400 -0.847600 -1.3110E+01 -6.0411E+00 -6.9218E+00 H1 1901 1.008000 0.423800 -1.2240E+01 -5.5553E+00 -7.0021E+00 H2 1902 1.008000 0.423800 -1.2938E+01 -7.0244E+00 -6.8606E+00 O6 1903 15.999400 -0.847600 -1.2528E+01 -1.2663E+01 -1.5987E+01 H1 1904 1.008000 0.423800 -1.2086E+01 -1.2878E+01 -1.5116E+01 H2 1905 1.008000 0.423800 -1.3480E+01 -1.2406E+01 -1.5823E+01 O6 1906 15.999400 -0.847600 1.6168E+00 6.1075E+00 -1.7340E+01 H1 1907 1.008000 0.423800 8.4543E-01 6.1994E+00 -1.7969E+01 H2 1908 1.008000 0.423800 1.2740E+00 5.9515E+00 -1.6413E+01 O6 1909 15.999400 -0.847600 3.3208E+00 3.2218E+00 -1.9442E+01 H1 1910 1.008000 0.423800 4.2583E+00 3.0205E+00 1.9371E+01 H2 1911 1.008000 0.423800 3.1331E+00 2.7715E+00 -1.8569E+01 O6 1912 15.999400 -0.847600 -1.1587E+01 1.7461E+01 4.8641E+00 H1 1913 1.008000 0.423800 -1.2066E+01 1.7782E+01 5.6811E+00 H2 1914 1.008000 0.423800 -1.1521E+01 1.8207E+01 4.2017E+00 O6 1915 15.999400 -0.847600 1.4777E+01 -7.9408E+00 -2.2816E+00 H1 1916 1.008000 0.423800 1.4815E+01 -7.2469E+00 -3.0007E+00 H2 1917 1.008000 0.423800 1.5431E+01 -7.7106E+00 -1.5613E+00 O6 1918 15.999400 -0.847600 -1.7836E+01 9.9857E+00 -1.3665E+00 H1 1919 1.008000 0.423800 -1.7209E+01 1.0764E+01 -1.3420E+00 H2 1920 1.008000 0.423800 -1.7468E+01 9.2433E+00 -8.0688E-01 O6 1921 15.999400 -0.847600 -7.4540E+00 -1.6676E+00 1.9423E+01 H1 1922 1.008000 0.423800 -7.7463E+00 -2.5950E+00 -1.9441E+01 H2 1923 1.008000 0.423800 -8.1796E+00 -1.2087E+00 1.8910E+01 O6 1924 15.999400 -0.847600 6.6511E+00 9.7908E+00 -1.4964E+01 H1 1925 1.008000 0.423800 7.4671E+00 1.0120E+01 -1.5439E+01 H2 1926 1.008000 0.423800 6.7079E+00 1.0034E+01 -1.3996E+01 O6 1927 15.999400 -0.847600 1.3771E+01 8.3881E+00 1.3122E+01 H1 1928 1.008000 0.423800 1.4260E+01 8.7558E+00 1.2331E+01 H2 1929 1.008000 0.423800 1.4387E+01 7.8064E+00 1.3653E+01 O6 1930 15.999400 -0.847600 9.7122E+00 -1.6901E+01 -7.6316E+00 H1 1931 1.008000 0.423800 8.9598E+00 -1.7452E+01 -7.2704E+00 H2 1932 1.008000 0.423800 1.0519E+01 -1.7019E+01 -7.0528E+00 O6 1933 15.999400 -0.847600 4.3733E+00 5.8513E+00 8.8631E+00 H1 1934 1.008000 0.423800 5.0440E+00 5.5016E+00 8.2091E+00 H2 1935 1.008000 0.423800 4.6098E+00 5.5378E+00 9.7828E+00 O6 1936 15.999400 -0.847600 1.8454E+01 -2.9522E+00 1.4114E+01 H1 1937 1.008000 0.423800 1.8755E+01 -3.7339E+00 1.4660E+01 H2 1938 1.008000 0.423800 1.9076E+01 -2.1834E+00 1.4260E+01 O6 1939 15.999400 -0.847600 6.4218E+00 -1.2128E+01 -9.0108E-01 H1 1940 1.008000 0.423800 6.3468E+00 -1.2275E+01 -1.8874E+00 H2 1941 1.008000 0.423800 6.2765E+00 -1.2995E+01 -4.2314E-01 O6 1942 15.999400 -0.847600 2.3506E+00 -1.2550E+01 -1.8320E+01 H1 1943 1.008000 0.423800 2.4138E+00 -1.2463E+01 -1.7326E+01 H2 1944 1.008000 0.423800 2.4533E+00 -1.3510E+01 -1.8578E+01 O6 1945 15.999400 -0.847600 1.2216E+01 8.0286E+00 1.6879E+01 H1 1946 1.008000 0.423800 1.1712E+01 8.8490E+00 1.6610E+01 H2 1947 1.008000 0.423800 1.3189E+01 8.1587E+00 1.6690E+01 O6 1948 15.999400 -0.847600 8.6649E-01 1.5241E+01 3.1062E+00 H1 1949 1.008000 0.423800 1.7490E+00 1.5408E+01 3.5459E+00 H2 1950 1.008000 0.423800 6.7571E-01 1.4259E+01 3.1043E+00 O6 1951 15.999400 -0.847600 -1.8180E+01 -1.1437E+01 1.9125E+01 H1 1952 1.008000 0.423800 -1.7307E+01 -1.1392E+01 -1.9488E+01 H2 1953 1.008000 0.423800 -1.8625E+01 -1.0542E+01 1.9154E+01 O6 1954 15.999400 -0.847600 -1.8465E+01 -4.2551E-01 3.4050E+00 H1 1955 1.008000 0.423800 -1.8138E+01 -9.8397E-01 4.1675E+00 H2 1956 1.008000 0.423800 -1.7687E+01 -1.3244E-01 2.8491E+00 O6 1957 15.999400 -0.847600 -1.7585E+01 -2.1750E+00 5.7617E+00 H1 1958 1.008000 0.423800 -1.6921E+01 -1.5007E+00 6.0841E+00 H2 1959 1.008000 0.423800 -1.8394E+01 -2.1529E+00 6.3491E+00 O6 1960 15.999400 -0.847600 -1.0651E+01 1.2036E+01 -9.0274E+00 H1 1961 1.008000 0.423800 -1.0359E+01 1.2985E+01 -8.9109E+00 H2 1962 1.008000 0.423800 -1.0760E+01 1.1838E+01 -1.0001E+01 O6 1963 15.999400 -0.847600 1.4821E+01 1.4460E+01 -1.0490E+01 H1 1964 1.008000 0.423800 1.5816E+01 1.4412E+01 -1.0396E+01 H2 1965 1.008000 0.423800 1.4397E+01 1.3771E+01 -9.9020E+00 O6 1966 15.999400 -0.847600 1.0547E+01 -1.4144E+01 -5.0582E+00 H1 1967 1.008000 0.423800 1.1184E+01 -1.3926E+01 -5.7975E+00 H2 1968 1.008000 0.423800 1.1042E+01 -1.4177E+01 -4.1902E+00 O6 1969 15.999400 -0.847600 1.7162E+01 8.4523E+00 -6.8714E+00 H1 1970 1.008000 0.423800 1.7013E+01 7.4976E+00 -7.1287E+00 H2 1971 1.008000 0.423800 1.6283E+01 8.9273E+00 -6.8284E+00 O6 1972 15.999400 -0.847600 -1.0309E+01 -3.0214E+00 -1.4575E+01 H1 1973 1.008000 0.423800 -1.1130E+01 -2.7497E+00 -1.4073E+01 H2 1974 1.008000 0.423800 -1.0369E+01 -3.9915E+00 -1.4811E+01 O6 1975 15.999400 -0.847600 -1.1493E+01 -3.1826E+00 -1.6388E+00 H1 1976 1.008000 0.423800 -1.1556E+01 -4.0999E+00 -1.2456E+00 H2 1977 1.008000 0.423800 -1.1288E+01 -3.2518E+00 -2.6151E+00 O6 1978 15.999400 -0.847600 1.8753E+01 6.2287E+00 -1.5553E+01 H1 1979 1.008000 0.423800 1.7953E+01 5.6559E+00 -1.5372E+01 H2 1980 1.008000 0.423800 1.9428E+01 6.0986E+00 -1.4827E+01 O6 1981 15.999400 -0.847600 -8.7005E+00 1.6810E+01 5.6630E+00 H1 1982 1.008000 0.423800 -8.4558E+00 1.6508E+01 4.7416E+00 H2 1983 1.008000 0.423800 -9.6147E+00 1.6475E+01 5.8916E+00 O6 1984 15.999400 -0.847600 -2.4669E-01 9.0091E+00 1.9053E+01 H1 1985 1.008000 0.423800 6.9060E-01 9.3410E+00 1.8946E+01 H2 1986 1.008000 0.423800 -7.9977E-01 9.7111E+00 1.9502E+01 O6 1987 15.999400 -0.847600 1.2916E+01 -9.3429E-01 7.5156E+00 H1 1988 1.008000 0.423800 1.2653E+01 4.0860E-03 7.2906E+00 H2 1989 1.008000 0.423800 1.2720E+01 -1.1129E+00 8.4798E+00 O6 1990 15.999400 -0.847600 1.2558E+01 1.6293E+01 1.8015E+01 H1 1991 1.008000 0.423800 1.1582E+01 1.6199E+01 1.7819E+01 H2 1992 1.008000 0.423800 1.3029E+01 1.5443E+01 1.7780E+01 O6 1993 15.999400 -0.847600 -1.4853E+01 1.7546E+00 2.2078E+00 H1 1994 1.008000 0.423800 -1.4956E+01 8.3678E-01 2.5914E+00 H2 1995 1.008000 0.423800 -1.4642E+01 2.4007E+00 2.9415E+00 O6 1996 15.999400 -0.847600 -1.0789E+01 -8.2001E-01 -1.8230E+01 H1 1997 1.008000 0.423800 -1.0511E+01 -8.9497E-01 -1.9188E+01 H2 1998 1.008000 0.423800 -1.0008E+01 -1.0262E+00 -1.7640E+01 O6 1999 15.999400 -0.847600 -1.0498E+01 6.0751E+00 -1.6372E+01 H1 2000 1.008000 0.423800 -1.1040E+01 6.6716E+00 -1.6964E+01 H2 2001 1.008000 0.423800 -1.1109E+01 5.4757E+00 -1.5854E+01 O6 2002 15.999400 -0.847600 -1.8540E+01 -1.7451E+01 1.8657E+00 H1 2003 1.008000 0.423800 -1.8935E+01 -1.8181E+01 2.4238E+00 H2 2004 1.008000 0.423800 -1.8514E+01 -1.7740E+01 9.0881E-01 O6 2005 15.999400 -0.847600 2.9778E+00 -7.3490E+00 4.8884E+00 H1 2006 1.008000 0.423800 3.1627E+00 -6.9695E+00 3.9819E+00 H2 2007 1.008000 0.423800 3.8390E+00 -7.4647E+00 5.3832E+00 O6 2008 15.999400 -0.847600 1.6441E+01 4.7563E+00 -1.5127E+01 H1 2009 1.008000 0.423800 1.6824E+01 4.0248E+00 -1.4563E+01 H2 2010 1.008000 0.423800 1.5444E+01 4.7493E+00 -1.5050E+01 O6 2011 15.999400 -0.847600 1.6456E+01 -1.0750E+00 6.5431E+00 H1 2012 1.008000 0.423800 1.5750E+01 -1.3075E+00 5.8736E+00 H2 2013 1.008000 0.423800 1.6223E+01 -1.4801E+00 7.4272E+00 O6 2014 15.999400 -0.847600 1.7334E+01 1.9263E+01 -1.7271E+01 H1 2015 1.008000 0.423800 1.6567E+01 1.9150E+01 -1.6640E+01 H2 2016 1.008000 0.423800 1.7100E+01 -1.9149E+01 -1.7961E+01 O6 2017 15.999400 -0.847600 1.7822E+01 -1.1185E+01 2.6125E+00 H1 2018 1.008000 0.423800 1.7861E+01 -1.1165E+01 1.6135E+00 H2 2019 1.008000 0.423800 1.6900E+01 -1.1441E+01 2.9041E+00 O6 2020 15.999400 -0.847600 -1.6441E+01 7.4253E+00 -2.3900E+00 H1 2021 1.008000 0.423800 -1.7120E+01 7.7474E+00 -1.7301E+00 H2 2022 1.008000 0.423800 -1.6881E+01 6.8204E+00 -3.0532E+00 O6 2023 15.999400 -0.847600 9.7401E+00 1.5190E+01 -4.5220E-01 H1 2024 1.008000 0.423800 1.0728E+01 1.5235E+01 -5.9816E-01 H2 2025 1.008000 0.423800 9.4608E+00 1.4235E+01 -3.5507E-01 O6 2026 15.999400 -0.847600 1.9172E+00 4.0541E+00 -1.7467E+00 H1 2027 1.008000 0.423800 2.3374E+00 4.8604E+00 -2.1631E+00 H2 2028 1.008000 0.423800 1.1335E+00 4.3353E+00 -1.1929E+00 O6 2029 15.999400 -0.847600 -1.5156E+01 6.2772E+00 -5.0353E+00 H1 2030 1.008000 0.423800 -1.4331E+01 5.9325E+00 -4.5862E+00 H2 2031 1.008000 0.423800 -1.5908E+01 5.6345E+00 -4.8900E+00 O6 2032 15.999400 -0.847600 1.7836E+01 3.9938E+00 -1.7538E+01 H1 2033 1.008000 0.423800 1.8765E+01 4.3029E+00 -1.7337E+01 H2 2034 1.008000 0.423800 1.7203E+01 4.3835E+00 -1.6870E+01 O6 2035 15.999400 -0.847600 6.4074E+00 4.3722E+00 1.8001E+01 H1 2036 1.008000 0.423800 6.4833E+00 5.3294E+00 1.8280E+01 H2 2037 1.008000 0.423800 7.3214E+00 3.9737E+00 1.7925E+01 O6 2038 15.999400 -0.847600 -5.2384E+00 -8.7374E+00 -2.8088E+00 H1 2039 1.008000 0.423800 -6.0114E+00 -9.3611E+00 -2.9252E+00 H2 2040 1.008000 0.423800 -4.4028E+00 -9.2663E+00 -2.6607E+00 O6 2041 15.999400 -0.847600 6.7781E+00 1.5188E+01 8.1620E+00 H1 2042 1.008000 0.423800 6.7785E+00 1.5229E+01 9.1611E+00 H2 2043 1.008000 0.423800 6.8141E+00 1.4232E+01 7.8685E+00 O6 2044 15.999400 -0.847600 1.3408E+01 9.3496E+00 4.2086E+00 H1 2045 1.008000 0.423800 1.4108E+01 1.0038E+01 4.0195E+00 H2 2046 1.008000 0.423800 1.3187E+01 8.8584E+00 3.3660E+00 O6 2047 15.999400 -0.847600 7.4805E+00 3.3040E+00 -9.6841E+00 H1 2048 1.008000 0.423800 6.5622E+00 3.6250E+00 -9.4522E+00 H2 2049 1.008000 0.423800 7.5019E+00 3.0195E+00 -1.0643E+01 O6 2050 15.999400 -0.847600 -1.0605E+01 1.8704E+00 1.7899E+00 H1 2051 1.008000 0.423800 -1.0901E+01 2.6864E+00 2.2865E+00 H2 2052 1.008000 0.423800 -9.9107E+00 2.1238E+00 1.1165E+00 O6 2053 15.999400 -0.847600 -6.0896E+00 -1.4439E+01 -1.4428E+01 H1 2054 1.008000 0.423800 -5.6408E+00 -1.5310E+01 -1.4226E+01 H2 2055 1.008000 0.423800 -6.9339E+00 -1.4610E+01 -1.4936E+01 O6 2056 15.999400 -0.847600 4.5212E+00 -1.1326E+01 -8.5820E+00 H1 2057 1.008000 0.423800 4.8809E+00 -1.1979E+01 -9.2483E+00 H2 2058 1.008000 0.423800 3.6172E+00 -1.1625E+01 -8.2766E+00 O6 2059 15.999400 -0.847600 1.5538E+01 -5.0542E+00 1.9050E+01 H1 2060 1.008000 0.423800 1.6236E+01 -4.3811E+00 1.9294E+01 H2 2061 1.008000 0.423800 1.5375E+01 -5.6619E+00 -1.9270E+01 O6 2062 15.999400 -0.847600 1.6553E+01 -2.6231E+00 5.6403E-01 H1 2063 1.008000 0.423800 1.5583E+01 -2.3829E+00 6.0266E-01 H2 2064 1.008000 0.423800 1.6945E+01 -2.5784E+00 1.4832E+00 O6 2065 15.999400 -0.847600 -9.9680E+00 1.0780E+01 1.4768E+01 H1 2066 1.008000 0.423800 -1.0401E+01 1.0842E+01 1.3869E+01 H2 2067 1.008000 0.423800 -9.0272E+00 1.1113E+01 1.4709E+01 O6 2068 15.999400 -0.847600 1.1597E+01 -3.2665E+00 1.9367E+01 H1 2069 1.008000 0.423800 1.1571E+01 -2.3390E+00 1.8994E+01 H2 2070 1.008000 0.423800 1.0954E+01 -3.8455E+00 1.8866E+01 O6 2071 15.999400 -0.847600 -3.9976E+00 4.2145E+00 -8.1951E-01 H1 2072 1.008000 0.423800 -4.7609E+00 4.2531E+00 -1.4644E+00 H2 2073 1.008000 0.423800 -3.4241E+00 5.0258E+00 -9.3313E-01 O6 2074 15.999400 -0.847600 -5.3146E+00 5.7059E+00 1.6369E+01 H1 2075 1.008000 0.423800 -5.3965E+00 5.4864E+00 1.7341E+01 H2 2076 1.008000 0.423800 -4.5047E+00 5.2559E+00 1.5992E+01 O6 2077 15.999400 -0.847600 1.0048E+01 1.1603E+00 7.6008E+00 H1 2078 1.008000 0.423800 9.5398E+00 1.8687E+00 8.0902E+00 H2 2079 1.008000 0.423800 1.0385E+01 1.5296E+00 6.7345E+00 O6 2080 15.999400 -0.847600 -7.1498E+00 1.1822E+01 -6.6312E+00 H1 2081 1.008000 0.423800 -6.8958E+00 1.0979E+01 -7.1065E+00 H2 2082 1.008000 0.423800 -7.0702E+00 1.2596E+01 -7.2594E+00 O6 2083 15.999400 -0.847600 -5.1912E+00 1.8699E+00 1.1338E+01 H1 2084 1.008000 0.423800 -4.8668E+00 1.1831E+00 1.0688E+01 H2 2085 1.008000 0.423800 -5.1707E+00 2.7724E+00 1.0908E+01 O6 2086 15.999400 -0.847600 -1.0887E+01 -7.3321E-01 1.4598E+01 H1 2087 1.008000 0.423800 -9.9272E+00 -1.0024E+00 1.4522E+01 H2 2088 1.008000 0.423800 -1.1025E+01 1.4384E-01 1.4138E+01 O6 2089 15.999400 -0.847600 -4.8586E-01 1.4524E+00 7.9159E+00 H1 2090 1.008000 0.423800 -5.3612E-01 1.4190E+00 6.9177E+00 H2 2091 1.008000 0.423800 4.0980E-01 1.8002E+00 8.1930E+00 O6 2092 15.999400 -0.847600 -8.3980E+00 -6.2456E+00 -7.7979E+00 H1 2093 1.008000 0.423800 -7.9063E+00 -6.0349E+00 -6.9529E+00 H2 2094 1.008000 0.423800 -8.3411E+00 -7.2271E+00 -7.9806E+00 O6 2095 15.999400 -0.847600 1.0308E+01 8.5441E+00 5.6337E+00 H1 2096 1.008000 0.423800 1.0702E+01 7.6768E+00 5.3303E+00 H2 2097 1.008000 0.423800 1.0899E+01 8.9549E+00 6.3275E+00 O6 2098 15.999400 -0.847600 -1.9482E+01 3.0813E+00 9.5219E+00 H1 2099 1.008000 0.423800 1.8646E+01 2.9438E+00 9.3170E+00 H2 2100 1.008000 0.423800 -1.9233E+01 2.5469E+00 1.0330E+01 O6 2101 15.999400 -0.847600 -3.0537E+00 -1.8223E+01 -5.8149E+00 H1 2102 1.008000 0.423800 -3.0185E+00 -1.7894E+01 -4.8714E+00 H2 2103 1.008000 0.423800 -3.0348E+00 -1.9223E+01 -5.8197E+00 O6 2104 15.999400 -0.847600 2.0673E+00 -1.3708E+01 -3.1496E+00 H1 2105 1.008000 0.423800 2.2213E+00 -1.2831E+01 -2.6952E+00 H2 2106 1.008000 0.423800 1.5248E+00 -1.3564E+01 -3.9772E+00 O6 2107 15.999400 -0.847600 1.4936E+01 9.5963E+00 -1.0683E+01 H1 2108 1.008000 0.423800 1.4956E+01 8.7899E+00 -1.0092E+01 H2 2109 1.008000 0.423800 1.5867E+01 9.8204E+00 -1.0973E+01 O6 2110 15.999400 -0.847600 -1.1777E+01 -1.0216E+01 -1.7050E+01 H1 2111 1.008000 0.423800 -1.1639E+01 -1.1003E+01 -1.6449E+01 H2 2112 1.008000 0.423800 -1.2730E+01 -9.9182E+00 -1.6996E+01 O6 2113 15.999400 -0.847600 1.7296E+01 6.6314E+00 1.8733E+01 H1 2114 1.008000 0.423800 1.7499E+01 5.9866E+00 1.7996E+01 H2 2115 1.008000 0.423800 1.6735E+01 6.1794E+00 1.9426E+01 O6 2116 15.999400 -0.847600 -1.3009E+01 1.5868E+01 -1.6131E+01 H1 2117 1.008000 0.423800 -1.2270E+01 1.5195E+01 -1.6117E+01 H2 2118 1.008000 0.423800 -1.3844E+01 1.5438E+01 -1.6474E+01 O6 2119 15.999400 -0.847600 5.4286E+00 1.9272E+01 1.5095E+00 H1 2120 1.008000 0.423800 5.8408E+00 -1.9067E+01 1.0046E+00 H2 2121 1.008000 0.423800 4.5440E+00 1.9043E+01 1.1034E+00 O6 2122 15.999400 -0.847600 -9.9446E+00 1.3938E+01 1.4691E+01 H1 2123 1.008000 0.423800 -9.2242E+00 1.3248E+01 1.4765E+01 H2 2124 1.008000 0.423800 -9.6955E+00 1.4740E+01 1.5234E+01 O6 2125 15.999400 -0.847600 7.0409E+00 1.1429E+01 -1.6926E+00 H1 2126 1.008000 0.423800 7.1418E+00 1.0459E+01 -1.4687E+00 H2 2127 1.008000 0.423800 6.5737E+00 1.1521E+01 -2.5719E+00 O6 2128 15.999400 -0.847600 -1.5465E+01 -1.0586E+00 1.0851E+01 H1 2129 1.008000 0.423800 -1.6242E+01 -4.7636E-01 1.1090E+01 H2 2130 1.008000 0.423800 -1.5690E+01 -1.5969E+00 1.0039E+01 O6 2131 15.999400 -0.847600 1.6996E+01 -9.0077E+00 -1.1617E+01 H1 2132 1.008000 0.423800 1.7381E+01 -8.4234E+00 -1.0902E+01 H2 2133 1.008000 0.423800 1.7469E+01 -9.8887E+00 -1.1618E+01 O6 2134 15.999400 -0.847600 -1.0890E+01 1.8285E+01 -2.5930E+00 H1 2135 1.008000 0.423800 -1.1235E+01 1.7867E+01 -3.4332E+00 H2 2136 1.008000 0.423800 -1.0888E+01 1.7605E+01 -1.8592E+00 O6 2137 15.999400 -0.847600 -6.3298E+00 6.7066E+00 1.9222E+00 H1 2138 1.008000 0.423800 -5.8518E+00 6.7128E+00 2.8006E+00 H2 2139 1.008000 0.423800 -5.9334E+00 7.4016E+00 1.3223E+00 O6 2140 15.999400 -0.847600 7.2825E+00 -1.0486E+01 9.3683E+00 H1 2141 1.008000 0.423800 7.8291E+00 -9.9206E+00 9.9857E+00 H2 2142 1.008000 0.423800 7.5759E+00 -1.1440E+01 9.4424E+00 O6 2143 15.999400 -0.847600 1.5107E+01 1.7320E+01 -1.6917E+01 H1 2144 1.008000 0.423800 1.4904E+01 1.8283E+01 -1.7093E+01 H2 2145 1.008000 0.423800 1.4526E+01 1.6746E+01 -1.7495E+01 O6 2146 15.999400 -0.847600 -2.8465E+00 -1.9350E+01 -1.0918E+00 H1 2147 1.008000 0.423800 -3.5721E+00 1.9081E+01 -1.2602E+00 H2 2148 1.008000 0.423800 -2.7529E+00 -1.9201E+01 -1.0749E-01 O6 2149 15.999400 -0.847600 -1.3620E+00 -1.9145E+01 -1.0316E+01 H1 2150 1.008000 0.423800 -1.8857E+00 1.9398E+01 -9.6693E+00 H2 2151 1.008000 0.423800 -1.8640E+00 -1.8304E+01 -1.0517E+01 O6 2152 15.999400 -0.847600 3.7629E+00 -8.6979E-01 9.2930E+00 H1 2153 1.008000 0.423800 3.3586E+00 -1.8909E-01 9.9040E+00 H2 2154 1.008000 0.423800 3.0998E+00 -1.1202E+00 8.5877E+00 O6 2155 15.999400 -0.847600 -1.0908E+01 -1.2146E+01 6.0982E+00 H1 2156 1.008000 0.423800 -9.9550E+00 -1.2444E+01 6.1416E+00 H2 2157 1.008000 0.423800 -1.1042E+01 -1.1366E+01 6.7105E+00 O6 2158 15.999400 -0.847600 -1.0748E+01 -1.8418E+01 -1.8984E+01 H1 2159 1.008000 0.423800 -1.0761E+01 -1.9414E+01 -1.9069E+01 H2 2160 1.008000 0.423800 -1.0814E+01 -1.8005E+01 1.9205E+01 O6 2161 15.999400 -0.847600 -5.5713E-01 -2.5503E+00 -8.5176E+00 H1 2162 1.008000 0.423800 -1.3098E+00 -3.1350E+00 -8.2147E+00 H2 2163 1.008000 0.423800 -7.2853E-01 -1.6090E+00 -8.2268E+00 O6 2164 15.999400 -0.847600 -1.5586E+01 1.1373E+01 -3.3026E+00 H1 2165 1.008000 0.423800 -1.5204E+01 1.0454E+01 -3.3977E+00 H2 2166 1.008000 0.423800 -1.5609E+01 1.1626E+01 -2.3354E+00 O6 2167 15.999400 -0.847600 1.7261E+01 -3.0308E+00 -1.9136E+01 H1 2168 1.008000 0.423800 1.7600E+01 -3.2460E+00 -1.8221E+01 H2 2169 1.008000 0.423800 1.8034E+01 -2.9233E+00 1.9336E+01 O6 2170 15.999400 -0.847600 -9.3092E+00 3.7615E+00 1.2917E+01 H1 2171 1.008000 0.423800 -8.8430E+00 4.6451E+00 1.2960E+01 H2 2172 1.008000 0.423800 -8.8793E+00 3.1922E+00 1.2216E+01 O6 2173 15.999400 -0.847600 -5.8321E+00 5.4118E+00 6.1469E+00 H1 2174 1.008000 0.423800 -6.4537E+00 6.1939E+00 6.1920E+00 H2 2175 1.008000 0.423800 -5.6463E+00 5.0801E+00 7.0717E+00 O6 2176 15.999400 -0.847600 1.7554E+01 1.0631E+01 -1.1333E+01 H1 2177 1.008000 0.423800 1.7646E+01 1.0765E+01 -1.0347E+01 H2 2178 1.008000 0.423800 1.8151E+01 9.8836E+00 -1.1625E+01 O6 2179 15.999400 -0.847600 9.9278E+00 9.5311E+00 -2.8473E+00 H1 2180 1.008000 0.423800 9.5249E+00 8.8587E+00 -2.2263E+00 H2 2181 1.008000 0.423800 9.2897E+00 9.7194E+00 -3.5939E+00 O6 2182 15.999400 -0.847600 8.6753E+00 7.2217E+00 9.7626E+00 H1 2183 1.008000 0.423800 9.2063E+00 6.9804E+00 8.9502E+00 H2 2184 1.008000 0.423800 9.2705E+00 7.6718E+00 1.0428E+01 O6 2185 15.999400 -0.847600 -5.2424E+00 -1.6783E+01 -1.1635E+01 H1 2186 1.008000 0.423800 -4.9733E+00 -1.6742E+01 -1.2598E+01 H2 2187 1.008000 0.423800 -5.0504E+00 -1.5904E+01 -1.1198E+01 O6 2188 15.999400 -0.847600 5.1677E+00 1.3830E+01 2.0062E+00 H1 2189 1.008000 0.423800 5.6120E+00 1.3763E+01 2.8996E+00 H2 2190 1.008000 0.423800 5.4600E+00 1.4672E+01 1.5517E+00 O6 2191 15.999400 -0.847600 9.6525E-01 -1.4329E+00 -1.8137E+01 H1 2192 1.008000 0.423800 6.1135E-01 -1.8033E+00 -1.8996E+01 H2 2193 1.008000 0.423800 1.8107E+00 -9.2931E-01 -1.8314E+01 O6 2194 15.999400 -0.847600 -1.3244E+01 -1.6890E+01 1.4770E+01 H1 2195 1.008000 0.423800 -1.4030E+01 -1.6276E+01 1.4849E+01 H2 2196 1.008000 0.423800 -1.3265E+01 -1.7345E+01 1.3881E+01 O6 2197 15.999400 -0.847600 -7.5227E+00 3.2684E+00 1.8987E+01 H1 2198 1.008000 0.423800 -7.0979E+00 2.6776E+00 -1.9424E+01 H2 2199 1.008000 0.423800 -8.2008E+00 2.7455E+00 1.8471E+01 O6 2200 15.999400 -0.847600 -1.1741E+01 8.6931E+00 1.5259E+01 H1 2201 1.008000 0.423800 -1.1015E+01 9.3202E+00 1.4976E+01 H2 2202 1.008000 0.423800 -1.1959E+01 8.8482E+00 1.6222E+01 O6 2203 15.999400 -0.847600 1.4829E+01 -7.9790E+00 1.3476E+01 H1 2204 1.008000 0.423800 1.4578E+01 -7.6053E+00 1.4369E+01 H2 2205 1.008000 0.423800 1.4169E+01 -7.6733E+00 1.2789E+01 O6 2206 15.999400 -0.847600 -2.1377E+00 -7.7357E+00 1.3569E+01 H1 2207 1.008000 0.423800 -1.7096E+00 -8.2658E+00 1.4301E+01 H2 2208 1.008000 0.423800 -2.7264E+00 -8.3336E+00 1.3025E+01 O6 2209 15.999400 -0.847600 1.3729E+01 -7.5936E-02 1.5162E+01 H1 2210 1.008000 0.423800 1.3992E+01 8.8415E-01 1.5259E+01 H2 2211 1.008000 0.423800 1.3539E+01 -4.6245E-01 1.6064E+01 O6 2212 15.999400 -0.847600 1.1674E+01 3.6340E+00 1.0777E+01 H1 2213 1.008000 0.423800 1.1401E+01 4.2392E+00 1.1525E+01 H2 2214 1.008000 0.423800 1.0881E+01 3.4369E+00 1.0201E+01 O6 2215 15.999400 -0.847600 1.3788E+00 1.6752E+01 -1.2269E+01 H1 2216 1.008000 0.423800 1.1850E+00 1.5797E+01 -1.2046E+01 H2 2217 1.008000 0.423800 1.3115E+00 1.6884E+01 -1.3258E+01 O6 2218 15.999400 -0.847600 -1.0606E+01 -1.1267E+01 -1.0838E+01 H1 2219 1.008000 0.423800 -1.1114E+01 -1.2092E+01 -1.0589E+01 H2 2220 1.008000 0.423800 -1.0149E+01 -1.1410E+01 -1.1716E+01 O6 2221 15.999400 -0.847600 -1.8537E+01 1.0135E+01 3.3200E+00 H1 2222 1.008000 0.423800 -1.9262E+01 1.0744E+01 3.6415E+00 H2 2223 1.008000 0.423800 -1.8919E+01 9.2289E+00 3.1377E+00 O6 2224 15.999400 -0.847600 4.3510E+00 -1.5319E+01 -3.9508E+00 H1 2225 1.008000 0.423800 3.3658E+00 -1.5148E+01 -3.9565E+00 H2 2226 1.008000 0.423800 4.5221E+00 -1.6288E+01 -4.1309E+00 O6 2227 15.999400 -0.847600 -1.2943E+00 -1.7161E+00 -1.6563E+01 H1 2228 1.008000 0.423800 -4.7441E-01 -1.5588E+00 -1.7113E+01 H2 2229 1.008000 0.423800 -1.3966E+00 -9.7582E-01 -1.5898E+01 O6 2230 15.999400 -0.847600 -1.0585E+01 9.6172E+00 4.0318E+00 H1 2231 1.008000 0.423800 -1.1086E+01 9.7433E+00 3.1754E+00 H2 2232 1.008000 0.423800 -1.0229E+01 8.6838E+00 4.0754E+00 O6 2233 15.999400 -0.847600 -1.7175E+01 1.3011E+01 7.3111E+00 H1 2234 1.008000 0.423800 -1.7162E+01 1.2314E+01 6.5944E+00 H2 2235 1.008000 0.423800 -1.6267E+01 1.3081E+01 7.7246E+00 O6 2236 15.999400 -0.847600 -8.5648E+00 -7.4450E+00 -1.2188E+01 H1 2237 1.008000 0.423800 -8.0581E+00 -6.8390E+00 -1.2801E+01 H2 2238 1.008000 0.423800 -9.0861E+00 -8.1057E+00 -1.2728E+01 O6 2239 15.999400 -0.847600 -6.6353E+00 1.8466E+01 -1.0459E+01 H1 2240 1.008000 0.423800 -6.0083E+00 1.8774E+01 -1.1174E+01 H2 2241 1.008000 0.423800 -6.5751E+00 1.7472E+01 -1.0368E+01 O6 2242 15.999400 -0.847600 1.4080E+01 7.9487E+00 8.7997E+00 H1 2243 1.008000 0.423800 1.3422E+01 7.2216E+00 8.9973E+00 H2 2244 1.008000 0.423800 1.4395E+01 7.8649E+00 7.8546E+00 O6 2245 15.999400 -0.847600 -8.8591E+00 -4.6851E+00 -1.0107E+01 H1 2246 1.008000 0.423800 -8.1434E+00 -4.6358E+00 -1.0804E+01 H2 2247 1.008000 0.423800 -8.4911E+00 -5.1114E+00 -9.2807E+00 O6 2248 15.999400 -0.847600 1.2977E+01 -1.9462E+01 -8.2815E+00 H1 2249 1.008000 0.423800 1.2253E+01 1.8949E+01 -8.2073E+00 H2 2250 1.008000 0.423800 1.3207E+01 -1.9121E+01 -7.3703E+00 O6 2251 15.999400 -0.847600 -4.1463E+00 -9.6730E+00 1.2466E+01 H1 2252 1.008000 0.423800 -3.3448E+00 -1.0158E+01 1.2117E+01 H2 2253 1.008000 0.423800 -4.8919E+00 -9.7402E+00 1.1803E+01 O6 2254 15.999400 -0.847600 1.1890E+01 -1.7387E+00 -8.5314E+00 H1 2255 1.008000 0.423800 1.1588E+01 -8.0177E-01 -8.7073E+00 H2 2256 1.008000 0.423800 1.1460E+01 -2.0760E+00 -7.6942E+00 O6 2257 15.999400 -0.847600 -1.9094E+00 -1.2000E+01 -5.7904E+00 H1 2258 1.008000 0.423800 -1.9353E+00 -1.1111E+01 -5.3337E+00 H2 2259 1.008000 0.423800 -1.0804E+00 -1.2490E+01 -5.5201E+00 O6 2260 15.999400 -0.847600 -5.8480E+00 5.3602E+00 1.9009E+01 H1 2261 1.008000 0.423800 -6.1006E+00 6.2882E+00 1.9283E+01 H2 2262 1.008000 0.423800 -6.6581E+00 4.7744E+00 1.9030E+01 O6 2263 15.999400 -0.847600 -1.7655E+01 1.8774E+01 -3.9690E+00 H1 2264 1.008000 0.423800 -1.7899E+01 -1.9434E+01 -3.5827E+00 H2 2265 1.008000 0.423800 -1.7597E+01 1.8096E+01 -3.2357E+00 O6 2266 15.999400 -0.847600 -1.7949E+01 7.2380E+00 -7.4814E+00 H1 2267 1.008000 0.423800 -1.8301E+01 7.4744E+00 -6.5758E+00 H2 2268 1.008000 0.423800 -1.7619E+01 6.2939E+00 -7.4748E+00 O6 2269 15.999400 -0.847600 1.4044E+01 1.7909E+01 1.6146E+01 H1 2270 1.008000 0.423800 1.4985E+01 1.7644E+01 1.6358E+01 H2 2271 1.008000 0.423800 1.3420E+01 1.7463E+01 1.6787E+01 O6 2272 15.999400 -0.847600 -6.8308E+00 1.8042E+01 1.4640E+01 H1 2273 1.008000 0.423800 -7.1999E+00 1.8353E+01 1.3764E+01 H2 2274 1.008000 0.423800 -5.8937E+00 1.7717E+01 1.4510E+01 O6 2275 15.999400 -0.847600 1.5016E+01 -1.6404E+01 -1.5364E+01 H1 2276 1.008000 0.423800 1.6004E+01 -1.6385E+01 -1.5213E+01 H2 2277 1.008000 0.423800 1.4565E+01 -1.6812E+01 -1.4571E+01 O6 2278 15.999400 -0.847600 -6.7824E+00 1.6214E+01 9.9033E+00 H1 2279 1.008000 0.423800 -6.8922E+00 1.6840E+01 9.1312E+00 H2 2280 1.008000 0.423800 -7.2606E+00 1.6581E+01 1.0701E+01 O6 2281 15.999400 -0.847600 -1.3625E+01 1.8602E+01 -1.6505E+01 H1 2282 1.008000 0.423800 -1.3457E+01 1.7776E+01 -1.5967E+01 H2 2283 1.008000 0.423800 -1.3600E+01 1.8375E+01 -1.7479E+01 O6 2284 15.999400 -0.847600 -1.2971E+01 1.0310E+01 -1.7235E+01 H1 2285 1.008000 0.423800 -1.2429E+01 1.0039E+01 -1.6440E+01 H2 2286 1.008000 0.423800 -1.2367E+01 1.0686E+01 -1.7938E+01 O6 2287 15.999400 -0.847600 1.6772E+01 1.1673E+01 -1.3502E+01 H1 2288 1.008000 0.423800 1.7643E+01 1.1897E+01 -1.3940E+01 H2 2289 1.008000 0.423800 1.6944E+01 1.1312E+01 -1.2585E+01 O6 2290 15.999400 -0.847600 1.8263E+01 -1.5574E+01 -1.1991E+01 H1 2291 1.008000 0.423800 1.7431E+01 -1.5377E+01 -1.1473E+01 H2 2292 1.008000 0.423800 1.8156E+01 -1.6442E+01 -1.2476E+01 O6 2293 15.999400 -0.847600 2.1190E+00 -1.6789E+01 1.3838E+01 H1 2294 1.008000 0.423800 1.1765E+00 -1.6893E+01 1.3520E+01 H2 2295 1.008000 0.423800 2.3048E+00 -1.7460E+01 1.4555E+01 O6 2296 15.999400 -0.847600 -2.7450E+00 -1.1300E+01 4.9962E-01 H1 2297 1.008000 0.423800 -3.4261E+00 -1.0842E+01 1.0713E+00 H2 2298 1.008000 0.423800 -3.1895E+00 -1.2014E+01 -4.1397E-02 O6 2299 15.999400 -0.847600 1.5886E+01 -1.5137E+01 -1.0666E+01 H1 2300 1.008000 0.423800 1.5154E+01 -1.4463E+01 -1.0765E+01 H2 2301 1.008000 0.423800 1.5549E+01 -1.6039E+01 -1.0934E+01 O6 2302 15.999400 -0.847600 -1.0120E+01 1.9337E+00 8.2100E+00 H1 2303 1.008000 0.423800 -1.0990E+01 1.8309E+00 8.6912E+00 H2 2304 1.008000 0.423800 -9.7913E+00 1.0349E+00 7.9196E+00 O6 2305 15.999400 -0.847600 4.1539E+00 5.3644E+00 3.5187E-01 H1 2306 1.008000 0.423800 4.6427E+00 4.5138E+00 5.4585E-01 H2 2307 1.008000 0.423800 3.2116E+00 5.1551E+00 9.0838E-02 O6 2308 15.999400 -0.847600 -7.9440E+00 1.2398E+01 -1.7834E+01 H1 2309 1.008000 0.423800 -7.9713E+00 1.3258E+01 -1.7325E+01 H2 2310 1.008000 0.423800 -8.1487E+00 1.1639E+01 -1.7216E+01 O6 2311 15.999400 -0.847600 5.4223E+00 -1.2551E+01 -1.0762E+01 H1 2312 1.008000 0.423800 5.1495E+00 -1.3349E+01 -1.1298E+01 H2 2313 1.008000 0.423800 5.5537E+00 -1.1769E+01 -1.1371E+01 O6 2314 15.999400 -0.847600 -1.3141E+01 -4.1147E-01 1.1906E+01 H1 2315 1.008000 0.423800 -1.2400E+01 -9.3191E-01 1.1482E+01 H2 2316 1.008000 0.423800 -1.3980E+01 -5.3348E-01 1.1375E+01 O6 2317 15.999400 -0.847600 -7.4900E+00 -7.4075E+00 7.3351E+00 H1 2318 1.008000 0.423800 -7.0465E+00 -8.2979E+00 7.4369E+00 H2 2319 1.008000 0.423800 -8.2673E+00 -7.3488E+00 7.9616E+00 O6 2320 15.999400 -0.847600 -4.8348E+00 -6.6978E+00 1.6491E+01 H1 2321 1.008000 0.423800 -4.8387E+00 -5.7498E+00 1.6173E+01 H2 2322 1.008000 0.423800 -4.0470E+00 -6.8454E+00 1.7089E+01 O6 2323 15.999400 -0.847600 1.9709E+00 1.5031E+00 -1.1740E+01 H1 2324 1.008000 0.423800 1.3073E+00 1.0087E+00 -1.1179E+01 H2 2325 1.008000 0.423800 2.8974E+00 1.2468E+00 -1.1464E+01 O6 2326 15.999400 -0.847600 -4.0040E+00 -1.3321E+01 2.6728E+00 H1 2327 1.008000 0.423800 -4.9684E+00 -1.3112E+01 2.5107E+00 H2 2328 1.008000 0.423800 -3.5868E+00 -1.2582E+01 3.2006E+00 O6 2329 15.999400 -0.847600 -1.0360E+00 2.8164E+00 1.2974E+01 H1 2330 1.008000 0.423800 -1.5209E+00 3.4837E+00 1.2409E+01 H2 2331 1.008000 0.423800 -1.6885E+00 2.1526E+00 1.3340E+01 O6 2332 15.999400 -0.847600 -1.4400E+01 -9.0465E+00 1.2455E+00 H1 2333 1.008000 0.423800 -1.4056E+01 -8.8952E+00 2.1722E+00 H2 2334 1.008000 0.423800 -1.4083E+01 -8.3100E+00 6.4798E-01 O6 2335 15.999400 -0.847600 -5.3215E-01 -3.6493E+00 6.5369E+00 H1 2336 1.008000 0.423800 -4.7823E-01 -3.2716E+00 5.6125E+00 H2 2337 1.008000 0.423800 -2.6131E-01 -2.9504E+00 7.1988E+00 O6 2338 15.999400 -0.847600 1.1701E+01 1.1279E+01 1.8670E+01 H1 2339 1.008000 0.423800 1.1643E+01 1.1921E+01 1.7905E+01 H2 2340 1.008000 0.423800 1.2658E+01 1.1032E+01 1.8824E+01 O6 2341 15.999400 -0.847600 -1.4503E+01 -3.5041E+00 1.1754E+01 H1 2342 1.008000 0.423800 -1.5185E+01 -4.1183E+00 1.1357E+01 H2 2343 1.008000 0.423800 -1.4653E+01 -2.5754E+00 1.1415E+01 O6 2344 15.999400 -0.847600 -1.3588E+01 1.6195E+01 1.4751E+01 H1 2345 1.008000 0.423800 -1.3117E+01 1.6649E+01 1.5508E+01 H2 2346 1.008000 0.423800 -1.3221E+01 1.5272E+01 1.4635E+01 O6 2347 15.999400 -0.847600 -1.5454E+01 -1.6514E+01 -3.6624E+00 H1 2348 1.008000 0.423800 -1.4725E+01 -1.6902E+01 -4.2259E+00 H2 2349 1.008000 0.423800 -1.5304E+01 -1.5531E+01 -3.5539E+00 O6 2350 15.999400 -0.847600 -1.9306E+01 6.0740E+00 7.3965E+00 H1 2351 1.008000 0.423800 -1.9527E+01 5.2295E+00 6.9088E+00 H2 2352 1.008000 0.423800 -1.9071E+01 5.8595E+00 8.3446E+00 O6 2353 15.999400 -0.847600 1.6185E+01 -6.8968E+00 -1.3083E+01 H1 2354 1.008000 0.423800 1.6309E+01 -7.7819E+00 -1.2635E+01 H2 2355 1.008000 0.423800 1.6601E+01 -6.9227E+00 -1.3993E+01 O6 2356 15.999400 -0.847600 -3.0470E+00 -3.4257E+00 -1.1886E+01 H1 2357 1.008000 0.423800 -2.7582E+00 -2.8384E+00 -1.1130E+01 H2 2358 1.008000 0.423800 -3.2876E+00 -2.8598E+00 -1.2674E+01 O6 2359 15.999400 -0.847600 -1.9499E+01 -1.9123E+01 1.3327E+01 H1 2360 1.008000 0.423800 1.8677E+01 -1.9207E+01 1.2948E+01 H2 2361 1.008000 0.423800 -1.9414E+01 1.9385E+01 1.4131E+01 O6 2362 15.999400 -0.847600 -3.1275E+00 1.5247E+01 3.3031E+00 H1 2363 1.008000 0.423800 -3.9646E+00 1.5064E+01 2.7875E+00 H2 2364 1.008000 0.423800 -3.1853E+00 1.6153E+01 3.7213E+00 O6 2365 15.999400 -0.847600 -1.9297E+01 1.9889E+00 -1.4452E+01 H1 2366 1.008000 0.423800 -1.8454E+01 2.5196E+00 -1.4360E+01 H2 2367 1.008000 0.423800 -1.9356E+01 1.6162E+00 -1.5378E+01 O6 2368 15.999400 -0.847600 -5.8888E-01 -1.4170E+01 3.5374E+00 H1 2369 1.008000 0.423800 -3.9545E-01 -1.3417E+01 2.9088E+00 H2 2370 1.008000 0.423800 6.1629E-02 -1.4146E+01 4.2965E+00 O6 2371 15.999400 -0.847600 -2.9458E+00 5.9565E+00 1.1270E+01 H1 2372 1.008000 0.423800 -3.8557E+00 5.9977E+00 1.0857E+01 H2 2373 1.008000 0.423800 -2.7531E+00 6.8187E+00 1.1738E+01 O6 2374 15.999400 -0.847600 2.8458E+00 -2.1787E+00 1.3961E+00 H1 2375 1.008000 0.423800 3.4114E+00 -2.8261E+00 1.9071E+00 H2 2376 1.008000 0.423800 2.6200E+00 -1.3996E+00 1.9809E+00 O6 2377 15.999400 -0.847600 -6.5731E+00 1.4228E+01 1.6986E+01 H1 2378 1.008000 0.423800 -5.7336E+00 1.4735E+01 1.7180E+01 H2 2379 1.008000 0.423800 -7.2789E+00 1.4860E+01 1.6667E+01 O6 2380 15.999400 -0.847600 -1.2002E+01 -1.6056E+01 -1.8074E+01 H1 2381 1.008000 0.423800 -1.2539E+01 -1.5934E+01 -1.8909E+01 H2 2382 1.008000 0.423800 -1.1609E+01 -1.6975E+01 -1.8062E+01 O6 2383 15.999400 -0.847600 1.1390E+01 -1.6484E+01 2.5065E+00 H1 2384 1.008000 0.423800 1.0664E+01 -1.5892E+01 2.8579E+00 H2 2385 1.008000 0.423800 1.1143E+01 -1.6808E+01 1.5933E+00 O6 2386 15.999400 -0.847600 9.4914E+00 1.2288E+00 1.2857E+01 H1 2387 1.008000 0.423800 9.2168E+00 2.8253E-01 1.2686E+01 H2 2388 1.008000 0.423800 8.7696E+00 1.8468E+00 1.2546E+01 O6 2389 15.999400 -0.847600 1.8611E+01 1.7240E+01 -1.9233E+00 H1 2390 1.008000 0.423800 1.8569E+01 1.6478E+01 -1.2766E+00 H2 2391 1.008000 0.423800 -1.9535E+01 1.7401E+01 -2.1866E+00 O6 2392 15.999400 -0.847600 6.1618E+00 3.6129E+00 -3.7371E+00 H1 2393 1.008000 0.423800 6.5621E+00 2.8582E+00 -3.2173E+00 H2 2394 1.008000 0.423800 5.1695E+00 3.4975E+00 -3.7815E+00 O6 2395 15.999400 -0.847600 1.0051E+01 -3.5421E+00 -5.3630E+00 H1 2396 1.008000 0.423800 1.0740E+01 -3.9392E+00 -5.9697E+00 H2 2397 1.008000 0.423800 9.7733E+00 -4.2217E+00 -4.6839E+00 O6 2398 15.999400 -0.847600 1.9382E+01 8.1418E+00 -5.3805E+00 H1 2399 1.008000 0.423800 1.9463E+01 8.8725E+00 -4.7027E+00 H2 2400 1.008000 0.423800 1.8519E+01 8.2418E+00 -5.8768E+00 O6 2401 15.999400 -0.847600 -1.3091E+01 2.5852E+00 -1.2223E+00 H1 2402 1.008000 0.423800 -1.2564E+01 3.2754E+00 -7.2559E-01 H2 2403 1.008000 0.423800 -1.3362E+01 1.8568E+00 -5.9339E-01 O6 2404 15.999400 -0.847600 -1.7492E+01 3.9084E+00 2.8899E+00 H1 2405 1.008000 0.423800 -1.7018E+01 3.1269E+00 3.2954E+00 H2 2406 1.008000 0.423800 -1.8385E+01 3.6154E+00 2.5465E+00 O6 2407 15.999400 -0.847600 -1.3989E+01 1.2196E+01 -1.4305E+01 H1 2408 1.008000 0.423800 -1.3075E+01 1.1802E+01 -1.4210E+01 H2 2409 1.008000 0.423800 -1.4356E+01 1.1974E+01 -1.5208E+01 O6 2410 15.999400 -0.847600 -1.3129E+01 -8.6677E-02 -1.0730E+01 H1 2411 1.008000 0.423800 -1.3749E+01 5.3722E-01 -1.1207E+01 H2 2412 1.008000 0.423800 -1.3616E+01 -5.2668E-01 -9.9751E+00 O6 2413 15.999400 -0.847600 1.6254E+01 5.3551E+00 9.5998E+00 H1 2414 1.008000 0.423800 1.5312E+01 5.6794E+00 9.5108E+00 H2 2415 1.008000 0.423800 1.6553E+01 4.9592E+00 8.7317E+00 O6 2416 15.999400 -0.847600 5.2220E+00 -7.1665E+00 6.4249E+00 H1 2417 1.008000 0.423800 5.9233E+00 -7.6307E+00 6.9660E+00 H2 2418 1.008000 0.423800 5.6514E+00 -6.4703E+00 5.8497E+00 O6 2419 15.999400 -0.847600 1.6653E+01 -6.9189E+00 -3.8369E-01 H1 2420 1.008000 0.423800 1.7143E+01 -6.0581E+00 -5.1962E-01 H2 2421 1.008000 0.423800 1.7210E+01 -7.5357E+00 1.7226E-01 O6 2422 15.999400 -0.847600 -6.9863E+00 -1.0015E+01 7.8096E+00 H1 2423 1.008000 0.423800 -7.9515E+00 -1.0260E+01 7.8996E+00 H2 2424 1.008000 0.423800 -6.6798E+00 -1.0204E+01 6.8768E+00 O6 2425 15.999400 -0.847600 -1.7647E+01 4.4729E+00 -7.2870E+00 H1 2426 1.008000 0.423800 -1.7437E+01 4.1530E+00 -6.3632E+00 H2 2427 1.008000 0.423800 -1.6983E+01 4.0924E+00 -7.9309E+00 O6 2428 15.999400 -0.847600 1.8373E+01 -1.1889E+01 1.2475E+01 H1 2429 1.008000 0.423800 1.8065E+01 -1.1610E+01 1.3385E+01 H2 2430 1.008000 0.423800 1.9163E+01 -1.2495E+01 1.2563E+01 O6 2431 15.999400 -0.847600 1.5502E+01 6.9753E+00 2.5382E+00 H1 2432 1.008000 0.423800 1.6054E+01 6.3773E+00 1.9572E+00 H2 2433 1.008000 0.423800 1.5439E+01 7.8813E+00 2.1196E+00 O6 2434 15.999400 -0.847600 1.6060E+01 -7.6994E+00 3.1265E+00 H1 2435 1.008000 0.423800 1.5737E+01 -6.7563E+00 3.0464E+00 H2 2436 1.008000 0.423800 1.5283E+01 -8.3033E+00 3.3051E+00 O6 2437 15.999400 -0.847600 -1.7211E+01 -1.4006E+01 -1.5503E+01 H1 2438 1.008000 0.423800 -1.8125E+01 -1.4148E+01 -1.5883E+01 H2 2439 1.008000 0.423800 -1.6530E+01 -1.4405E+01 -1.6116E+01 O6 2440 15.999400 -0.847600 1.3808E+01 -4.9388E+00 1.7081E+01 H1 2441 1.008000 0.423800 1.4008E+01 -5.8415E+00 1.6701E+01 H2 2442 1.008000 0.423800 1.4312E+01 -4.8178E+00 1.7936E+01 O6 2443 15.999400 -0.847600 -1.5174E+00 1.0901E+01 -1.8801E+01 H1 2444 1.008000 0.423800 -2.3350E+00 1.1074E+01 -1.9350E+01 H2 2445 1.008000 0.423800 -1.7753E+00 1.0810E+01 -1.7839E+01 O6 2446 15.999400 -0.847600 1.2728E+01 -4.2156E+00 1.4226E+01 H1 2447 1.008000 0.423800 1.2802E+01 -3.2191E+00 1.4188E+01 H2 2448 1.008000 0.423800 1.3121E+01 -4.5474E+00 1.5083E+01 O6 2449 15.999400 -0.847600 -1.3796E+01 -1.5932E+01 -1.1522E+01 H1 2450 1.008000 0.423800 -1.3793E+01 -1.5712E+01 -1.2498E+01 H2 2451 1.008000 0.423800 -1.4493E+01 -1.6626E+01 -1.1340E+01 O6 2452 15.999400 -0.847600 1.7765E+01 3.1593E+00 -4.9976E+00 H1 2453 1.008000 0.423800 1.8014E+01 3.5500E+00 -5.8839E+00 H2 2454 1.008000 0.423800 1.7891E+01 2.1675E+00 -5.0236E+00 O6 2455 15.999400 -0.847600 -1.1543E+01 7.1754E+00 -6.1239E+00 H1 2456 1.008000 0.423800 -1.1248E+01 6.5537E+00 -6.8496E+00 H2 2457 1.008000 0.423800 -1.0741E+01 7.5942E+00 -5.6977E+00 O6 2458 15.999400 -0.847600 1.1641E+00 -1.9348E+01 8.0584E+00 H1 2459 1.008000 0.423800 1.6027E+00 1.8969E+01 8.5044E+00 H2 2460 1.008000 0.423800 1.8380E+00 -1.8623E+01 7.9168E+00 O6 2461 15.999400 -0.847600 -3.4330E+00 8.1093E+00 -1.6816E+01 H1 2462 1.008000 0.423800 -2.4492E+00 8.2733E+00 -1.6743E+01 H2 2463 1.008000 0.423800 -3.7542E+00 7.6364E+00 -1.5996E+01 O6 2464 15.999400 -0.847600 1.7839E+01 1.4999E+01 -5.6098E+00 H1 2465 1.008000 0.423800 1.8836E+01 1.4917E+01 -5.6015E+00 H2 2466 1.008000 0.423800 1.7482E+01 1.4635E+01 -6.4704E+00 O6 2467 15.999400 -0.847600 -1.3415E+01 -1.7985E+01 -1.5908E+01 H1 2468 1.008000 0.423800 -1.2466E+01 -1.7689E+01 -1.6018E+01 H2 2469 1.008000 0.423800 -1.3500E+01 -1.8940E+01 -1.6191E+01 O6 2470 15.999400 -0.847600 1.7194E+01 7.0825E+00 5.0958E+00 H1 2471 1.008000 0.423800 1.8180E+01 7.2056E+00 5.2012E+00 H2 2472 1.008000 0.423800 1.7017E+01 6.3958E+00 4.3907E+00 O6 2473 15.999400 -0.847600 -7.3415E-01 1.6547E+01 -7.3073E+00 H1 2474 1.008000 0.423800 7.4675E-02 1.6919E+01 -7.7626E+00 H2 2475 1.008000 0.423800 -1.1844E+00 1.5890E+01 -7.9120E+00 O6 2476 15.999400 -0.847600 -3.3825E+00 -2.3421E+00 -9.1531E+00 H1 2477 1.008000 0.423800 -3.7990E+00 -3.2492E+00 -9.2131E+00 H2 2478 1.008000 0.423800 -4.0913E+00 -1.6430E+00 -9.2477E+00 O6 2479 15.999400 -0.847600 3.9393E-01 1.3320E+01 1.3554E+01 H1 2480 1.008000 0.423800 6.9040E-01 1.3041E+01 1.4468E+01 H2 2481 1.008000 0.423800 3.5138E-01 1.2518E+01 1.2958E+01 O6 2482 15.999400 -0.847600 -6.6035E+00 1.6292E+01 -3.0396E+00 H1 2483 1.008000 0.423800 -6.6944E+00 1.6612E+01 -3.9829E+00 H2 2484 1.008000 0.423800 -6.2332E+00 1.5364E+01 -3.0366E+00 O6 2485 15.999400 -0.847600 1.8009E+01 1.6101E+01 1.8227E+01 H1 2486 1.008000 0.423800 1.8712E+01 1.5512E+01 1.7829E+01 H2 2487 1.008000 0.423800 1.8322E+01 1.6443E+01 1.9113E+01 O6 2488 15.999400 -0.847600 -4.0074E+00 -5.1086E+00 -6.2130E+00 H1 2489 1.008000 0.423800 -3.1472E+00 -4.5994E+00 -6.1831E+00 H2 2490 1.008000 0.423800 -4.6402E+00 -4.7337E+00 -5.5355E+00 O6 2491 15.999400 -0.847600 -6.6602E+00 5.3763E+00 -6.9877E+00 H1 2492 1.008000 0.423800 -6.2788E+00 5.1735E+00 -6.0858E+00 H2 2493 1.008000 0.423800 -5.9408E+00 5.3021E+00 -7.6782E+00 O6 2494 15.999400 -0.847600 1.1199E-02 -1.3420E+01 -1.0195E+01 H1 2495 1.008000 0.423800 -3.6438E-01 -1.2759E+01 -9.5455E+00 H2 2496 1.008000 0.423800 -7.7670E-02 -1.4343E+01 -9.8202E+00 O6 2497 15.999400 -0.847600 -9.1670E+00 -7.8436E+00 1.1557E+01 H1 2498 1.008000 0.423800 -1.0015E+01 -8.0146E+00 1.2058E+01 H2 2499 1.008000 0.423800 -8.4159E+00 -8.3377E+00 1.1995E+01 O6 2500 15.999400 -0.847600 1.8766E+00 3.4377E+00 8.1502E+00 H1 2501 1.008000 0.423800 1.5547E+00 4.0773E+00 8.8484E+00 H2 2502 1.008000 0.423800 1.4559E+00 3.6640E+00 7.2717E+00 O6 2503 15.999400 -0.847600 -2.1789E+00 -8.0741E+00 -1.4917E+01 H1 2504 1.008000 0.423800 -2.7927E+00 -8.2264E+00 -1.4143E+01 H2 2505 1.008000 0.423800 -2.4395E+00 -8.6758E+00 -1.5672E+01 O6 2506 15.999400 -0.847600 -3.1976E+00 7.1743E+00 1.2865E+00 H1 2507 1.008000 0.423800 -3.4143E+00 6.7278E+00 2.1547E+00 H2 2508 1.008000 0.423800 -2.5591E+00 7.9266E+00 1.4489E+00 O6 2509 15.999400 -0.847600 1.6375E+01 -5.7019E+00 1.6297E+01 H1 2510 1.008000 0.423800 1.6332E+01 -6.7008E+00 1.6319E+01 H2 2511 1.008000 0.423800 1.6248E+01 -5.3425E+00 1.7222E+01 O6 2512 15.999400 -0.847600 -4.0121E+00 1.5375E+01 1.7486E+01 H1 2513 1.008000 0.423800 -3.5447E+00 1.5049E+01 1.6664E+01 H2 2514 1.008000 0.423800 -3.3569E+00 1.5844E+01 1.8079E+01 O6 2515 15.999400 -0.847600 -3.0315E-01 -1.0588E+01 -3.5992E+00 H1 2516 1.008000 0.423800 -5.6509E-01 -1.0057E+01 -4.4046E+00 H2 2517 1.008000 0.423800 6.5406E-01 -1.0866E+01 -3.6801E+00 O6 2518 15.999400 -0.847600 1.9182E+01 -7.6815E+00 -1.0143E+01 H1 2519 1.008000 0.423800 -1.9472E+01 -8.2836E+00 -1.0807E+01 H2 2520 1.008000 0.423800 1.9488E+01 -6.7409E+00 -1.0290E+01 O6 2521 15.999400 -0.847600 -1.6565E+01 -1.6942E+01 1.0945E+01 H1 2522 1.008000 0.423800 -1.6347E+01 -1.7846E+01 1.1312E+01 H2 2523 1.008000 0.423800 -1.5874E+01 -1.6285E+01 1.1246E+01 O6 2524 15.999400 -0.847600 -1.6932E+01 -4.9985E+00 -8.0399E+00 H1 2525 1.008000 0.423800 -1.6707E+01 -4.9780E+00 -7.0656E+00 H2 2526 1.008000 0.423800 -1.7313E+01 -4.1150E+00 -8.3128E+00 O6 2527 15.999400 -0.847600 -1.4975E+01 -8.5632E-01 -6.8935E+00 H1 2528 1.008000 0.423800 -1.5126E+01 -1.0678E+00 -5.9278E+00 H2 2529 1.008000 0.423800 -1.5647E+01 -1.8005E-01 -7.1957E+00 O6 2530 15.999400 -0.847600 1.0064E+01 -5.5757E+00 -3.1937E+00 H1 2531 1.008000 0.423800 1.0420E+01 -6.4748E+00 -3.4491E+00 H2 2532 1.008000 0.423800 9.6934E+00 -5.6151E+00 -2.2659E+00 O6 2533 15.999400 -0.847600 -8.4392E-01 1.4417E+01 1.7776E+01 H1 2534 1.008000 0.423800 -1.3297E-01 1.3782E+01 1.8078E+01 H2 2535 1.008000 0.423800 -1.3047E+00 1.4043E+01 1.6972E+01 O6 2536 15.999400 -0.847600 -9.6839E-01 4.9300E+00 -1.8275E+01 H1 2537 1.008000 0.423800 -7.8246E-01 4.0742E+00 -1.7792E+01 H2 2538 1.008000 0.423800 -1.9541E+00 5.0977E+00 -1.8288E+01 O6 2539 15.999400 -0.847600 1.1981E+01 1.2941E+01 1.1397E+01 H1 2540 1.008000 0.423800 1.2404E+01 1.3844E+01 1.1314E+01 H2 2541 1.008000 0.423800 1.2694E+01 1.2243E+01 1.1451E+01 O6 2542 15.999400 -0.847600 -1.6933E+01 7.8472E+00 4.3837E-01 H1 2543 1.008000 0.423800 -1.7748E+01 7.7329E+00 1.0068E+00 H2 2544 1.008000 0.423800 -1.6148E+01 8.0602E+00 1.0201E+00 O6 2545 15.999400 -0.847600 -4.9765E+00 -1.4498E+01 -1.0241E+01 H1 2546 1.008000 0.423800 -4.1710E+00 -1.3918E+01 -1.0361E+01 H2 2547 1.008000 0.423800 -5.2482E+00 -1.4497E+01 -9.2788E+00 O6 2548 15.999400 -0.847600 -1.4321E+01 -1.7594E+01 -9.8656E-01 H1 2549 1.008000 0.423800 -1.4624E+01 -1.6979E+01 -1.7146E+00 H2 2550 1.008000 0.423800 -1.3322E+01 -1.7642E+01 -9.8569E-01 O6 2551 15.999400 -0.847600 8.1677E+00 -7.5707E+00 1.1188E+01 H1 2552 1.008000 0.423800 8.4610E+00 -7.2511E+00 1.0287E+01 H2 2553 1.008000 0.423800 8.7889E+00 -8.2870E+00 1.1506E+01 O6 2554 15.999400 -0.847600 9.3407E-03 -8.7528E+00 2.5476E+00 H1 2555 1.008000 0.423800 -2.7130E-01 -7.8640E+00 2.9101E+00 H2 2556 1.008000 0.423800 6.9887E-01 -9.1555E+00 3.1495E+00 O6 2557 15.999400 -0.847600 -1.8104E+01 -1.9086E+01 -1.3175E+01 H1 2558 1.008000 0.423800 -1.7535E+01 1.9345E+01 -1.3657E+01 H2 2559 1.008000 0.423800 -1.7669E+01 -1.8843E+01 -1.2307E+01 O6 2560 15.999400 -0.847600 7.5802E+00 -1.8315E+01 -6.8848E+00 H1 2561 1.008000 0.423800 6.9665E+00 -1.7836E+01 -7.5125E+00 H2 2562 1.008000 0.423800 7.2530E+00 -1.8200E+01 -5.9468E+00 O6 2563 15.999400 -0.847600 -5.9519E+00 -1.8383E+01 1.2897E+01 H1 2564 1.008000 0.423800 -5.4318E+00 -1.9181E+01 1.2592E+01 H2 2565 1.008000 0.423800 -6.2236E+00 -1.7839E+01 1.2103E+01 O6 2566 15.999400 -0.847600 6.2588E+00 -9.2762E+00 -1.1987E+00 H1 2567 1.008000 0.423800 6.2060E+00 -1.0274E+01 -1.1584E+00 H2 2568 1.008000 0.423800 6.0222E+00 -8.9668E+00 -2.1197E+00 O6 2569 15.999400 -0.847600 -1.3736E+00 1.2993E+01 -6.4810E+00 H1 2570 1.008000 0.423800 -1.1407E+00 1.2813E+01 -7.4367E+00 H2 2571 1.008000 0.423800 -1.5423E+00 1.2127E+01 -6.0101E+00 O6 2572 15.999400 -0.847600 5.7403E+00 -1.3515E+01 5.8204E+00 H1 2573 1.008000 0.423800 6.6960E+00 -1.3549E+01 5.5279E+00 H2 2574 1.008000 0.423800 5.6789E+00 -1.3759E+01 6.7880E+00 O6 2575 15.999400 -0.847600 -1.6683E+01 -3.8655E-01 6.8677E-01 H1 2576 1.008000 0.423800 -1.6647E+01 -7.5216E-01 -2.4330E-01 H2 2577 1.008000 0.423800 -1.6805E+01 6.0531E-01 6.5038E-01 O6 2578 15.999400 -0.847600 -9.6922E+00 6.1038E+00 1.6936E+01 H1 2579 1.008000 0.423800 -8.9821E+00 6.5603E+00 1.6400E+01 H2 2580 1.008000 0.423800 -9.7852E+00 5.1569E+00 1.6628E+01 O6 2581 15.999400 -0.847600 1.5084E+01 8.2442E+00 1.6462E+01 H1 2582 1.008000 0.423800 1.5738E+01 8.0686E+00 1.7198E+01 H2 2583 1.008000 0.423800 1.5379E+01 7.7690E+00 1.5633E+01 O6 2584 15.999400 -0.847600 -1.5971E+01 3.8815E+00 1.7754E+01 H1 2585 1.008000 0.423800 -1.5054E+01 4.0628E+00 1.8107E+01 H2 2586 1.008000 0.423800 -1.6628E+01 3.8987E+00 1.8508E+01 O6 2587 15.999400 -0.847600 1.6155E+01 -2.6810E+00 1.5925E+01 H1 2588 1.008000 0.423800 1.5750E+01 -3.5569E+00 1.6187E+01 H2 2589 1.008000 0.423800 1.6892E+01 -2.8381E+00 1.5267E+01 O6 2590 15.999400 -0.847600 -1.0612E+01 1.2001E+01 -1.4678E+01 H1 2591 1.008000 0.423800 -1.0544E+01 1.1281E+01 -1.3987E+01 H2 2592 1.008000 0.423800 -9.8871E+00 1.2674E+01 -1.4530E+01 O6 2593 15.999400 -0.847600 -4.9368E+00 5.9615E+00 9.6939E+00 H1 2594 1.008000 0.423800 -4.9824E+00 5.1342E+00 9.1339E+00 H2 2595 1.008000 0.423800 -5.1027E+00 6.7627E+00 9.1189E+00 O6 2596 15.999400 -0.847600 -3.2977E-02 -1.1537E+00 8.1911E+00 H1 2597 1.008000 0.423800 -2.0888E-01 -1.7272E-01 8.2732E+00 H2 2598 1.008000 0.423800 3.3656E-01 -1.4993E+00 9.0536E+00 O6 2599 15.999400 -0.847600 1.4114E+01 4.1696E+00 -3.6234E-01 H1 2600 1.008000 0.423800 1.5089E+01 4.2256E+00 -1.4454E-01 H2 2601 1.008000 0.423800 1.3972E+01 4.4195E+00 -1.3201E+00 O6 2602 15.999400 -0.847600 -2.2029E+00 -1.9538E+01 1.2752E+01 H1 2603 1.008000 0.423800 -2.4416E+00 1.9238E+01 1.3669E+01 H2 2604 1.008000 0.423800 -2.9099E+00 1.9275E+01 1.2105E+01 O6 2605 15.999400 -0.847600 -1.5796E+01 1.8470E+01 -7.7482E+00 H1 2606 1.008000 0.423800 -1.6562E+01 1.8918E+01 -7.2871E+00 H2 2607 1.008000 0.423800 -1.4960E+01 1.8612E+01 -7.2190E+00 O6 2608 15.999400 -0.847600 -1.5831E+01 5.4347E+00 1.0591E+01 H1 2609 1.008000 0.423800 -1.5573E+01 5.8818E+00 1.1447E+01 H2 2610 1.008000 0.423800 -1.6828E+01 5.4047E+00 1.0518E+01 O6 2611 15.999400 -0.847600 2.8130E+00 1.1509E+01 -7.6877E+00 H1 2612 1.008000 0.423800 2.2536E+00 1.2088E+01 -7.0945E+00 H2 2613 1.008000 0.423800 3.4527E+00 1.2080E+01 -8.2029E+00 O6 2614 15.999400 -0.847600 1.1101E+01 -9.0976E+00 1.7592E+01 H1 2615 1.008000 0.423800 1.0609E+01 -8.4421E+00 1.8165E+01 H2 2616 1.008000 0.423800 1.0459E+01 -9.5393E+00 1.6965E+01 O6 2617 15.999400 -0.847600 -1.4325E+00 1.5271E+01 -4.9114E+00 H1 2618 1.008000 0.423800 -9.2638E-01 1.5802E+01 -5.5909E+00 H2 2619 1.008000 0.423800 -1.6386E+00 1.4365E+01 -5.2823E+00 O6 2620 15.999400 -0.847600 1.9034E+00 1.3864E+01 5.6894E+00 H1 2621 1.008000 0.423800 1.7515E+00 1.4095E+01 6.6506E+00 H2 2622 1.008000 0.423800 2.2809E+00 1.4658E+01 5.2120E+00 O6 2623 15.999400 -0.847600 8.2910E+00 1.5484E+01 -3.5917E+00 H1 2624 1.008000 0.423800 9.0198E+00 1.5661E+01 -4.2531E+00 H2 2625 1.008000 0.423800 8.5637E+00 1.5831E+01 -2.6943E+00 O6 2626 15.999400 -0.847600 1.9874E+00 1.4663E+01 -1.8973E+01 H1 2627 1.008000 0.423800 1.3981E+00 1.3870E+01 -1.9127E+01 H2 2628 1.008000 0.423800 1.5913E+00 1.5465E+01 -1.9421E+01 O6 2629 15.999400 -0.847600 -1.6816E+01 -8.5425E+00 -1.3767E+01 H1 2630 1.008000 0.423800 -1.6527E+01 -9.4106E+00 -1.3363E+01 H2 2631 1.008000 0.423800 -1.7797E+01 -8.4149E+00 -1.3615E+01 O6 2632 15.999400 -0.847600 -7.1535E+00 -1.1704E+00 8.9620E+00 H1 2633 1.008000 0.423800 -7.2634E+00 -2.1546E+00 9.1012E+00 H2 2634 1.008000 0.423800 -7.9148E+00 -8.2425E-01 8.4139E+00 O6 2635 15.999400 -0.847600 8.5533E+00 1.7916E+01 -6.7739E+00 H1 2636 1.008000 0.423800 7.9264E+00 1.7140E+01 -6.8477E+00 H2 2637 1.008000 0.423800 8.0278E+00 1.8764E+01 -6.7104E+00 O6 2638 15.999400 -0.847600 1.1654E+00 1.4191E+01 -9.3764E+00 H1 2639 1.008000 0.423800 2.0889E+00 1.3880E+01 -9.6019E+00 H2 2640 1.008000 0.423800 1.2073E+00 1.5116E+01 -8.9996E+00 O6 2641 15.999400 -0.847600 2.0418E+00 7.4254E+00 2.3460E+00 H1 2642 1.008000 0.423800 1.2807E+00 7.0247E+00 2.8561E+00 H2 2643 1.008000 0.423800 2.9006E+00 7.2271E+00 2.8184E+00 O6 2644 15.999400 -0.847600 -9.9899E-01 -1.5003E+01 -1.8511E+01 H1 2645 1.008000 0.423800 -4.2099E-01 -1.4850E+01 -1.7709E+01 H2 2646 1.008000 0.423800 -1.2755E+00 -1.5963E+01 -1.8544E+01 O6 2647 15.999400 -0.847600 -1.7002E+01 4.5103E+00 -1.1179E+01 H1 2648 1.008000 0.423800 -1.7711E+01 4.9271E+00 -1.0611E+01 H2 2649 1.008000 0.423800 -1.6205E+01 5.1141E+00 -1.1214E+01 O6 2650 15.999400 -0.847600 -2.5866E+00 9.2991E+00 1.7461E+01 H1 2651 1.008000 0.423800 -1.6667E+00 9.2398E+00 1.7849E+01 H2 2652 1.008000 0.423800 -3.2551E+00 9.0000E+00 1.8142E+01 O6 2653 15.999400 -0.847600 -1.4620E+01 1.1122E+00 -1.6359E+01 H1 2654 1.008000 0.423800 -1.3936E+01 4.1218E-01 -1.6157E+01 H2 2655 1.008000 0.423800 -1.5203E+01 8.0102E-01 -1.7110E+01 O6 2656 15.999400 -0.847600 -1.2890E+01 7.2616E+00 6.8313E+00 H1 2657 1.008000 0.423800 -1.2543E+01 6.4163E+00 6.4243E+00 H2 2658 1.008000 0.423800 -1.3402E+01 7.0456E+00 7.6623E+00 O6 2659 15.999400 -0.847600 1.4894E+01 1.2152E+01 -8.6506E+00 H1 2660 1.008000 0.423800 1.4375E+01 1.2029E+01 -7.8042E+00 H2 2661 1.008000 0.423800 1.5031E+01 1.1263E+01 -9.0889E+00 O6 2662 15.999400 -0.847600 1.7684E+01 8.8068E+00 1.2345E+01 H1 2663 1.008000 0.423800 1.7894E+01 9.7820E+00 1.2274E+01 H2 2664 1.008000 0.423800 1.8329E+01 8.3727E+00 1.2974E+01 O6 2665 15.999400 -0.847600 -4.8428E+00 4.4462E+00 -1.3783E+01 H1 2666 1.008000 0.423800 -3.9057E+00 4.1125E+00 -1.3680E+01 H2 2667 1.008000 0.423800 -5.2303E+00 4.0949E+00 -1.4635E+01 O6 2668 15.999400 -0.847600 -1.5190E+01 1.1769E+01 -1.6742E+01 H1 2669 1.008000 0.423800 -1.4474E+01 1.1104E+01 -1.6957E+01 H2 2670 1.008000 0.423800 -1.5693E+01 1.1998E+01 -1.7576E+01 O6 2671 15.999400 -0.847600 1.5903E+01 1.0942E+01 1.6466E+01 H1 2672 1.008000 0.423800 1.5468E+01 1.0135E+01 1.6065E+01 H2 2673 1.008000 0.423800 1.5460E+01 1.1767E+01 1.6117E+01 O6 2674 15.999400 -0.847600 -1.1887E+01 -8.8200E+00 -9.9877E+00 H1 2675 1.008000 0.423800 -1.1568E+01 -8.0151E+00 -1.0488E+01 H2 2676 1.008000 0.423800 -1.1375E+01 -9.6244E+00 -1.0289E+01 O6 2677 15.999400 -0.847600 2.6435E+00 3.7059E+00 -8.5066E+00 H1 2678 1.008000 0.423800 2.4117E+00 3.1623E+00 -9.3133E+00 H2 2679 1.008000 0.423800 1.8074E+00 3.9380E+00 -8.0096E+00 O6 2680 15.999400 -0.847600 -1.0687E+01 -5.7223E+00 3.7417E+00 H1 2681 1.008000 0.423800 -1.0192E+01 -6.5511E+00 4.0022E+00 H2 2682 1.008000 0.423800 -1.1656E+01 -5.8294E+00 3.9640E+00 O6 2683 15.999400 -0.847600 8.9968E+00 3.1356E+00 1.7112E+01 H1 2684 1.008000 0.423800 9.3630E+00 2.7325E+00 1.6274E+01 H2 2685 1.008000 0.423800 9.1534E+00 2.5117E+00 1.7878E+01 O6 2686 15.999400 -0.847600 3.6458E-01 1.0873E+01 -1.5293E+01 H1 2687 1.008000 0.423800 -1.2828E-01 1.1741E+01 -1.5352E+01 H2 2688 1.008000 0.423800 5.4360E-01 1.0656E+01 -1.4333E+01 O6 2689 15.999400 -0.847600 -1.6138E+01 -1.8474E+01 5.7013E-01 H1 2690 1.008000 0.423800 -1.6948E+01 -1.8430E+01 -1.5539E-02 H2 2691 1.008000 0.423800 -1.5374E+01 -1.8015E+01 1.1738E-01 O6 2692 15.999400 -0.847600 1.5319E+01 -1.3161E+01 -1.4834E+00 H1 2693 1.008000 0.423800 1.5773E+01 -1.4051E+01 -1.5270E+00 H2 2694 1.008000 0.423800 1.6002E+01 -1.2445E+01 -1.3365E+00 O6 2695 15.999400 -0.847600 -2.2291E-01 -1.0489E+01 -8.1521E-01 H1 2696 1.008000 0.423800 -1.1003E+00 -1.0716E+01 -3.9240E-01 H2 2697 1.008000 0.423800 -2.6114E-01 -1.0695E+01 -1.7931E+00 O6 2698 15.999400 -0.847600 -1.0685E+01 -1.0674E+01 1.6973E+01 H1 2699 1.008000 0.423800 -1.1001E+01 -1.0759E+01 1.6028E+01 H2 2700 1.008000 0.423800 -1.0146E+01 -9.8373E+00 1.7070E+01 O6 2701 15.999400 -0.847600 8.5758E+00 1.7665E+01 -7.1089E-01 H1 2702 1.008000 0.423800 8.9978E+00 1.6759E+01 -6.8453E-01 H2 2703 1.008000 0.423800 9.1595E+00 1.8319E+01 -2.2901E-01 O6 2704 15.999400 -0.847600 8.5952E+00 -1.4707E+01 1.0311E+00 H1 2705 1.008000 0.423800 9.4882E+00 -1.4595E+01 5.9517E-01 H2 2706 1.008000 0.423800 8.3519E+00 -1.3865E+01 1.5133E+00 O6 2707 15.999400 -0.847600 -1.4303E+01 -2.2047E+00 -9.1177E+00 H1 2708 1.008000 0.423800 -1.4667E+01 -1.8208E+00 -8.2693E+00 H2 2709 1.008000 0.423800 -1.4168E+01 -3.1895E+00 -9.0071E+00 O6 2710 15.999400 -0.847600 -2.6850E+00 1.8850E+01 1.5332E+01 H1 2711 1.008000 0.423800 -3.3984E+00 1.9375E+01 1.5796E+01 H2 2712 1.008000 0.423800 -1.7982E+00 1.9054E+01 1.5747E+01 O6 2713 15.999400 -0.847600 -1.3192E+01 6.6006E+00 -9.9614E+00 H1 2714 1.008000 0.423800 -1.3788E+01 6.7030E+00 -9.1650E+00 H2 2715 1.008000 0.423800 -1.2238E+01 6.6891E+00 -9.6769E+00 O6 2716 15.999400 -0.847600 9.7882E+00 1.9262E+01 1.1404E+00 H1 2717 1.008000 0.423800 1.0007E+01 -1.8904E+01 8.4887E-01 H2 2718 1.008000 0.423800 9.0607E+00 1.9290E+01 1.8259E+00 O6 2719 15.999400 -0.847600 -5.6090E+00 -7.2650E-01 -9.6344E+00 H1 2720 1.008000 0.423800 -5.6298E+00 -1.1913E+00 -1.0520E+01 H2 2721 1.008000 0.423800 -5.2469E+00 1.9818E-01 -9.7520E+00 O6 2722 15.999400 -0.847600 1.7594E+01 -4.1433E+00 -1.6361E+01 H1 2723 1.008000 0.423800 1.7256E+01 -3.2617E+00 -1.6031E+01 H2 2724 1.008000 0.423800 1.8195E+01 -4.5492E+00 -1.5673E+01 O6 2725 15.999400 -0.847600 7.8801E+00 -2.3167E+00 -1.1707E+01 H1 2726 1.008000 0.423800 8.5600E+00 -2.7194E+00 -1.2320E+01 H2 2727 1.008000 0.423800 6.9665E+00 -2.4437E+00 -1.2093E+01 O6 2728 15.999400 -0.847600 -1.0952E+01 -1.9460E+00 1.7858E+00 H1 2729 1.008000 0.423800 -1.0517E+01 -2.8459E+00 1.7482E+00 H2 2730 1.008000 0.423800 -1.0705E+01 -1.4224E+00 9.7040E-01 O6 2731 15.999400 -0.847600 4.1036E+00 -1.4576E+01 -1.4505E+01 H1 2732 1.008000 0.423800 3.2906E+00 -1.4006E+01 -1.4625E+01 H2 2733 1.008000 0.423800 4.1760E+00 -1.5218E+01 -1.5269E+01 O6 2734 15.999400 -0.847600 -2.4541E+00 2.5462E+00 -8.4954E+00 H1 2735 1.008000 0.423800 -3.2441E+00 2.4733E+00 -9.1042E+00 H2 2736 1.008000 0.423800 -2.7653E+00 2.5535E+00 -7.5450E+00 O6 2737 15.999400 -0.847600 1.1514E+01 -1.3540E+01 -7.6876E+00 H1 2738 1.008000 0.423800 1.1484E+01 -1.2542E+01 -7.7248E+00 H2 2739 1.008000 0.423800 1.0606E+01 -1.3908E+01 -7.8914E+00 O6 2740 15.999400 -0.847600 5.8484E+00 -1.4285E+01 8.5487E+00 H1 2741 1.008000 0.423800 6.2919E+00 -1.5173E+01 8.4269E+00 H2 2742 1.008000 0.423800 6.4534E+00 -1.3678E+01 9.0640E+00 O6 2743 15.999400 -0.847600 -2.1638E+00 1.5522E+01 -1.7983E+01 H1 2744 1.008000 0.423800 -2.0958E+00 1.5996E+01 -1.8860E+01 H2 2745 1.008000 0.423800 -1.6660E+00 1.6039E+01 -1.7286E+01 O6 2746 15.999400 -0.847600 6.8025E+00 1.5703E+01 -6.5010E+00 H1 2747 1.008000 0.423800 6.1418E+00 1.6012E+01 -5.8170E+00 H2 2748 1.008000 0.423800 7.2122E+00 1.4841E+01 -6.2025E+00 O6 2749 15.999400 -0.847600 -1.6851E+00 1.0977E+01 5.7781E+00 H1 2750 1.008000 0.423800 -2.4692E+00 1.1364E+01 5.2923E+00 H2 2751 1.008000 0.423800 -9.7826E-01 1.0721E+01 5.1190E+00 O6 2752 15.999400 -0.847600 8.9144E-01 5.3061E+00 1.0061E+01 H1 2753 1.008000 0.423800 -7.5296E-02 5.3135E+00 9.8048E+00 H2 2754 1.008000 0.423800 1.1624E+00 6.2189E+00 1.0366E+01 O6 2755 15.999400 -0.847600 7.6169E+00 1.3164E+01 -5.7961E+00 H1 2756 1.008000 0.423800 7.1172E+00 1.2472E+01 -5.2752E+00 H2 2757 1.008000 0.423800 8.5953E+00 1.3082E+01 -5.6066E+00 O6 2758 15.999400 -0.847600 -1.4765E+01 -6.4283E+00 -1.7163E+01 H1 2759 1.008000 0.423800 -1.4194E+01 -5.6247E+00 -1.6995E+01 H2 2760 1.008000 0.423800 -1.5666E+01 -6.2889E+00 -1.6751E+01 O6 2761 15.999400 -0.847600 1.0487E+01 1.9098E+00 -1.5722E+00 H1 2762 1.008000 0.423800 9.8057E+00 1.4166E+00 -1.0307E+00 H2 2763 1.008000 0.423800 1.1403E+01 1.6851E+00 -1.2404E+00 O6 2764 15.999400 -0.847600 9.2586E+00 1.6908E+01 -1.8683E+01 H1 2765 1.008000 0.423800 9.4414E+00 1.6866E+01 1.9433E+01 H2 2766 1.008000 0.423800 1.0091E+01 1.7181E+01 -1.8200E+01 O6 2767 15.999400 -0.847600 -6.1240E+00 -7.7825E-01 -6.8664E+00 H1 2768 1.008000 0.423800 -6.1211E+00 -6.8990E-01 -7.8625E+00 H2 2769 1.008000 0.423800 -6.8754E+00 -1.3760E+00 -6.5871E+00 O6 2770 15.999400 -0.847600 6.2326E+00 -5.8444E-01 8.1241E+00 H1 2771 1.008000 0.423800 6.2978E+00 3.6237E-01 7.8089E+00 H2 2772 1.008000 0.423800 5.4143E+00 -6.9208E-01 8.6887E+00 O6 2773 15.999400 -0.847600 -1.0519E+01 6.3978E+00 1.1163E+01 H1 2774 1.008000 0.423800 -1.0749E+01 6.8483E+00 1.0300E+01 H2 2775 1.008000 0.423800 -9.7706E+00 5.7519E+00 1.1013E+01 O6 2776 15.999400 -0.847600 -1.4895E+01 -1.2420E+01 -5.8045E+00 H1 2777 1.008000 0.423800 -1.4994E+01 -1.1584E+01 -5.2644E+00 H2 2778 1.008000 0.423800 -1.4961E+01 -1.3216E+01 -5.2025E+00 O6 2779 15.999400 -0.847600 9.4594E+00 -1.0397E+01 1.1216E+01 H1 2780 1.008000 0.423800 9.0320E+00 -1.0817E+01 1.2016E+01 H2 2781 1.008000 0.423800 1.0448E+01 -1.0540E+01 1.1252E+01 O6 2782 15.999400 -0.847600 1.6727E+01 -1.5927E+01 9.6511E+00 H1 2783 1.008000 0.423800 1.7399E+01 -1.5222E+01 9.8795E+00 H2 2784 1.008000 0.423800 1.6525E+01 -1.5889E+01 8.6726E+00 O6 2785 15.999400 -0.847600 3.4843E+00 1.0933E+01 1.1824E+01 H1 2786 1.008000 0.423800 3.6624E+00 1.1616E+01 1.1116E+01 H2 2787 1.008000 0.423800 3.3489E+00 1.0038E+01 1.1398E+01 O6 2788 15.999400 -0.847600 9.8667E+00 1.3169E+01 7.9186E+00 H1 2789 1.008000 0.423800 1.0113E+01 1.2407E+01 7.3190E+00 H2 2790 1.008000 0.423800 1.0414E+01 1.3971E+01 7.6806E+00 O6 2791 15.999400 -0.847600 -7.2001E+00 1.7638E+01 7.7194E+00 H1 2792 1.008000 0.423800 -7.7753E+00 1.7154E+01 7.0596E+00 H2 2793 1.008000 0.423800 -6.4812E+00 1.8135E+01 7.2335E+00 O6 2794 15.999400 -0.847600 6.1345E+00 5.9448E+00 -1.0860E+01 H1 2795 1.008000 0.423800 6.4755E+00 6.5625E+00 -1.0151E+01 H2 2796 1.008000 0.423800 6.5048E+00 6.2192E+00 -1.1747E+01 O6 2797 15.999400 -0.847600 -3.1830E+00 9.4978E+00 -8.5361E+00 H1 2798 1.008000 0.423800 -2.3250E+00 9.2933E+00 -8.0648E+00 H2 2799 1.008000 0.423800 -3.2925E+00 8.8778E+00 -9.3130E+00 O6 2800 15.999400 -0.847600 9.0670E-01 -9.2360E-01 1.7339E+01 H1 2801 1.008000 0.423800 9.9158E-02 -3.3559E-01 1.7292E+01 H2 2802 1.008000 0.423800 1.7220E+00 -3.6012E-01 1.7472E+01 O6 2803 15.999400 -0.847600 1.2865E+01 3.5863E+00 1.7371E+00 H1 2804 1.008000 0.423800 1.3258E+01 4.2751E+00 1.1278E+00 H2 2805 1.008000 0.423800 1.1868E+01 3.6381E+00 1.6990E+00 O6 2806 15.999400 -0.847600 2.6184E+00 9.5832E+00 -5.7098E+00 H1 2807 1.008000 0.423800 2.8669E+00 1.0150E+01 -6.4951E+00 H2 2808 1.008000 0.423800 2.6210E+00 8.6203E+00 -5.9798E+00 O6 2809 15.999400 -0.847600 -1.4985E+01 2.6455E-01 1.5575E+01 H1 2810 1.008000 0.423800 -1.4725E+01 9.3671E-01 1.4882E+01 H2 2811 1.008000 0.423800 -1.4990E+01 -6.4885E-01 1.5168E+01 O6 2812 15.999400 -0.847600 1.8406E+01 -6.9769E+00 -3.7464E+00 H1 2813 1.008000 0.423800 1.9369E+01 -7.0570E+00 -4.0020E+00 H2 2814 1.008000 0.423800 1.8296E+01 -7.2139E+00 -2.7810E+00 O6 2815 15.999400 -0.847600 1.8372E+01 1.4749E+01 -1.3454E+01 H1 2816 1.008000 0.423800 1.7788E+01 1.3951E+01 -1.3301E+01 H2 2817 1.008000 0.423800 1.8051E+01 1.5247E+01 -1.4259E+01 O6 2818 15.999400 -0.847600 1.0470E+01 9.7775E+00 2.7455E+00 H1 2819 1.008000 0.423800 9.4945E+00 9.8919E+00 2.5557E+00 H2 2820 1.008000 0.423800 1.0601E+01 9.5989E+00 3.7207E+00 O6 2821 15.999400 -0.847600 1.3013E+01 1.2722E+01 -2.0269E+00 H1 2822 1.008000 0.423800 1.2174E+01 1.2256E+01 -1.7431E+00 H2 2823 1.008000 0.423800 1.3457E+01 1.3125E+01 -1.2269E+00 O6 2824 15.999400 -0.847600 3.2066E+00 -1.0393E-01 -2.9447E+00 H1 2825 1.008000 0.423800 3.8455E+00 -1.3015E-01 -3.7136E+00 H2 2826 1.008000 0.423800 3.5116E+00 -7.4029E-01 -2.2362E+00 O6 2827 15.999400 -0.847600 2.5940E+00 -1.2761E+01 1.0478E+01 H1 2828 1.008000 0.423800 2.9977E+00 -1.2649E+01 1.1387E+01 H2 2829 1.008000 0.423800 2.9455E+00 -1.2051E+01 9.8683E+00 O6 2830 15.999400 -0.847600 -1.4981E+01 8.8270E+00 2.1655E+00 H1 2831 1.008000 0.423800 -1.4222E+01 8.1787E+00 2.0970E+00 H2 2832 1.008000 0.423800 -1.4662E+01 9.7404E+00 1.9121E+00 O6 2833 15.999400 -0.847600 -1.3106E+01 1.2186E+01 -1.1948E+00 H1 2834 1.008000 0.423800 -1.3291E+01 1.3147E+01 -9.8694E-01 H2 2835 1.008000 0.423800 -1.3120E+01 1.1653E+01 -3.4864E-01 O6 2836 15.999400 -0.847600 1.0627E+01 -1.4347E+01 1.0763E+01 H1 2837 1.008000 0.423800 1.1204E+01 -1.3853E+01 1.1413E+01 H2 2838 1.008000 0.423800 1.0711E+01 -1.3930E+01 9.8581E+00 O6 2839 15.999400 -0.847600 -1.8126E+01 -1.3259E+01 1.2614E+01 H1 2840 1.008000 0.423800 -1.7908E+01 -1.4121E+01 1.3071E+01 H2 2841 1.008000 0.423800 -1.7330E+01 -1.2654E+01 1.2645E+01 O6 2842 15.999400 -0.847600 6.5622E+00 4.3934E-01 3.0782E+00 H1 2843 1.008000 0.423800 6.9053E+00 1.3687E+00 2.9420E+00 H2 2844 1.008000 0.423800 5.9377E+00 4.2570E-01 3.8591E+00 O6 2845 15.999400 -0.847600 1.6480E+01 4.6720E+00 -3.0079E+00 H1 2846 1.008000 0.423800 1.6706E+01 4.2040E+00 -2.1536E+00 H2 2847 1.008000 0.423800 1.6904E+01 4.1900E+00 -3.7743E+00 O6 2848 15.999400 -0.847600 -1.2973E+01 1.1513E+01 1.6035E+01 H1 2849 1.008000 0.423800 -1.2257E+01 1.0816E+01 1.6050E+01 H2 2850 1.008000 0.423800 -1.3099E+01 1.1881E+01 1.6956E+01 O6 2851 15.999400 -0.847600 -1.9265E+01 -7.7850E+00 -1.3404E+01 H1 2852 1.008000 0.423800 1.9461E+01 -7.1893E+00 -1.4116E+01 H2 2853 1.008000 0.423800 1.9087E+01 -8.1289E+00 -1.2834E+01 O6 2854 15.999400 -0.847600 -1.1043E+00 8.9851E+00 1.2792E+00 H1 2855 1.008000 0.423800 -4.4577E-01 8.6810E+00 5.9081E-01 H2 2856 1.008000 0.423800 -6.1473E-01 9.3035E+00 2.0910E+00 O6 2857 15.999400 -0.847600 4.7509E+00 -1.1854E+01 2.4118E+00 H1 2858 1.008000 0.423800 5.4283E+00 -1.2483E+01 2.0303E+00 H2 2859 1.008000 0.423800 3.9894E+00 -1.1756E+01 1.7712E+00 O6 2860 15.999400 -0.847600 -8.4828E+00 -1.2481E+01 1.7965E+01 H1 2861 1.008000 0.423800 -7.5066E+00 -1.2490E+01 1.7748E+01 H2 2862 1.008000 0.423800 -8.6038E+00 -1.2436E+01 1.8956E+01 O6 2863 15.999400 -0.847600 1.7548E+01 -1.1402E+01 9.0708E+00 H1 2864 1.008000 0.423800 1.7923E+01 -1.1937E+01 9.8279E+00 H2 2865 1.008000 0.423800 1.7208E+01 -1.2020E+01 8.3623E+00 O6 2866 15.999400 -0.847600 4.2121E+00 -1.8758E+00 -1.0126E+00 H1 2867 1.008000 0.423800 3.7637E+00 -2.1521E+00 -1.6257E-01 H2 2868 1.008000 0.423800 4.5531E+00 -2.6866E+00 -1.4883E+00 O6 2869 15.999400 -0.847600 -6.4536E+00 -1.2777E+01 -9.0646E-01 H1 2870 1.008000 0.423800 -6.6265E+00 -1.1862E+01 -1.2707E+00 H2 2871 1.008000 0.423800 -7.0893E+00 -1.2963E+01 -1.5737E-01 O6 2872 15.999400 -0.847600 1.0247E+01 4.4080E+00 -2.7742E+00 H1 2873 1.008000 0.423800 1.0272E+01 3.5554E+00 -2.2521E+00 H2 2874 1.008000 0.423800 9.3153E+00 4.5748E+00 -3.0959E+00 O6 2875 15.999400 -0.847600 8.1096E+00 1.9434E+01 1.8486E+01 H1 2876 1.008000 0.423800 7.3416E+00 1.8863E+01 1.8195E+01 H2 2877 1.008000 0.423800 8.4609E+00 1.9100E+01 1.9361E+01 O6 2878 15.999400 -0.847600 -5.8486E+00 2.3978E+00 -1.2293E+01 H1 2879 1.008000 0.423800 -5.4409E+00 3.2418E+00 -1.2641E+01 H2 2880 1.008000 0.423800 -6.3935E+00 1.9685E+00 -1.3013E+01 O6 2881 15.999400 -0.847600 -1.4888E+01 -4.3842E+00 4.0896E-01 H1 2882 1.008000 0.423800 -1.5811E+01 -4.2483E+00 7.6973E-01 H2 2883 1.008000 0.423800 -1.4267E+01 -3.7183E+00 8.2249E-01 O6 2884 15.999400 -0.847600 -1.2254E+01 9.0809E+00 1.7880E+01 H1 2885 1.008000 0.423800 -1.3098E+01 9.3911E+00 1.8319E+01 H2 2886 1.008000 0.423800 -1.1467E+01 9.4475E+00 1.8375E+01 O6 2887 15.999400 -0.847600 -1.7006E+00 4.9635E+00 -9.0399E+00 H1 2888 1.008000 0.423800 -1.9132E+00 3.9947E+00 -8.9127E+00 H2 2889 1.008000 0.423800 -1.4124E+00 5.3588E+00 -8.1677E+00 O6 2890 15.999400 -0.847600 9.3801E+00 1.0137E+01 -5.5290E+00 H1 2891 1.008000 0.423800 9.9668E+00 1.0946E+01 -5.5495E+00 H2 2892 1.008000 0.423800 9.6579E+00 9.5053E+00 -6.2531E+00 O6 2893 15.999400 -0.847600 9.5293E-01 -1.2767E+01 1.6175E+01 H1 2894 1.008000 0.423800 4.0160E-01 -1.3331E+01 1.6790E+01 H2 2895 1.008000 0.423800 7.7724E-01 -1.3037E+01 1.5228E+01 O6 2896 15.999400 -0.847600 -1.5084E+01 1.9274E+01 5.0415E+00 H1 2897 1.008000 0.423800 -1.4185E+01 1.9051E+01 5.4185E+00 H2 2898 1.008000 0.423800 -1.5626E+01 1.8438E+01 4.9564E+00 O6 2899 15.999400 -0.847600 -4.1384E+00 -1.7144E+01 1.4973E+01 H1 2900 1.008000 0.423800 -3.4636E+00 -1.6410E+01 1.4895E+01 H2 2901 1.008000 0.423800 -4.5467E+00 -1.7318E+01 1.4076E+01 O6 2902 15.999400 -0.847600 -9.1142E+00 -1.0904E+01 -8.5306E+00 H1 2903 1.008000 0.423800 -8.3522E+00 -1.0440E+01 -8.9819E+00 H2 2904 1.008000 0.423800 -9.9254E+00 -1.0857E+01 -9.1135E+00 O6 2905 15.999400 -0.847600 -8.6967E+00 1.6239E+01 1.5958E+01 H1 2906 1.008000 0.423800 -8.1391E+00 1.6886E+01 1.5437E+01 H2 2907 1.008000 0.423800 -8.5605E+00 1.6394E+01 1.6936E+01 O6 2908 15.999400 -0.847600 1.6061E+00 1.4269E+01 -1.5912E+01 H1 2909 1.008000 0.423800 1.9072E+00 1.4229E+01 -1.6865E+01 H2 2910 1.008000 0.423800 6.6703E-01 1.3932E+01 -1.5845E+01 O6 2911 15.999400 -0.847600 1.1467E+01 -8.0373E+00 -2.6802E+00 H1 2912 1.008000 0.423800 1.2398E+01 -7.6721E+00 -2.6596E+00 H2 2913 1.008000 0.423800 1.1274E+01 -8.5049E+00 -1.8177E+00 O6 2914 15.999400 -0.847600 -1.8816E+01 1.9125E+00 1.2023E+01 H1 2915 1.008000 0.423800 -1.9250E+01 1.0127E+00 1.1982E+01 H2 2916 1.008000 0.423800 -1.9097E+01 2.3808E+00 1.2861E+01 O6 2917 15.999400 -0.847600 6.4932E+00 -1.5969E+00 -5.2437E+00 H1 2918 1.008000 0.423800 5.9054E+00 -2.4058E+00 -5.2404E+00 H2 2919 1.008000 0.423800 5.9266E+00 -7.7308E-01 -5.2271E+00 O6 2920 15.999400 -0.847600 -1.0585E+01 -8.9455E+00 4.6008E-01 H1 2921 1.008000 0.423800 -1.1125E+01 -9.2453E+00 1.2464E+00 H2 2922 1.008000 0.423800 -1.1032E+01 -9.2414E+00 -3.8394E-01 O6 2923 15.999400 -0.847600 -5.9333E+00 1.9357E+01 2.9419E+00 H1 2924 1.008000 0.423800 -6.5031E+00 1.9528E+01 3.7456E+00 H2 2925 1.008000 0.423800 -6.4693E+00 1.8872E+01 2.2508E+00 O6 2926 15.999400 -0.847600 8.1611E+00 -4.0516E+00 7.5991E+00 H1 2927 1.008000 0.423800 7.6648E+00 -4.1128E+00 8.4650E+00 H2 2928 1.008000 0.423800 8.3396E+00 -3.0914E+00 7.3844E+00 O6 2929 15.999400 -0.847600 -8.4179E+00 4.8827E+00 9.9701E+00 H1 2930 1.008000 0.423800 -8.2456E+00 3.9851E+00 1.0376E+01 H2 2931 1.008000 0.423800 -8.1994E+00 4.8549E+00 8.9946E+00 O6 2932 15.999400 -0.847600 1.4168E+01 -1.3978E+00 1.2231E+00 H1 2933 1.008000 0.423800 1.3634E+01 -1.5090E+00 3.8483E-01 H2 2934 1.008000 0.423800 1.4334E+01 -4.2526E-01 1.3857E+00 O6 2935 15.999400 -0.847600 -6.7583E+00 1.2252E+01 -1.2655E+01 H1 2936 1.008000 0.423800 -5.9739E+00 1.2282E+01 -1.3275E+01 H2 2937 1.008000 0.423800 -7.5518E+00 1.2665E+01 -1.3102E+01 O6 2938 15.999400 -0.847600 -1.6745E+01 -8.9333E+00 1.6385E+01 H1 2939 1.008000 0.423800 -1.7292E+01 -9.5395E+00 1.5808E+01 H2 2940 1.008000 0.423800 -1.6080E+01 -9.4744E+00 1.6900E+01 O6 2941 15.999400 -0.847600 2.0861E+00 -9.0690E+00 -1.7189E+01 H1 2942 1.008000 0.423800 2.5778E+00 -8.4882E+00 -1.6541E+01 H2 2943 1.008000 0.423800 2.2168E+00 -1.0029E+01 -1.6942E+01 O6 2944 15.999400 -0.847600 -1.2414E+01 -3.2385E+00 -1.8463E+01 H1 2945 1.008000 0.423800 -1.2708E+01 -3.3027E+00 -1.9417E+01 H2 2946 1.008000 0.423800 -1.1551E+01 -2.7358E+00 -1.8413E+01 O6 2947 15.999400 -0.847600 5.9438E+00 -2.2769E+00 5.9064E+00 H1 2948 1.008000 0.423800 5.0559E+00 -2.7369E+00 5.9005E+00 H2 2949 1.008000 0.423800 5.9573E+00 -1.5879E+00 6.6310E+00 O6 2950 15.999400 -0.847600 1.6750E+01 1.5261E+01 -1.6503E+01 H1 2951 1.008000 0.423800 1.6304E+01 1.6155E+01 -1.6555E+01 H2 2952 1.008000 0.423800 1.6138E+01 1.4609E+01 -1.6054E+01 O6 2953 15.999400 -0.847600 -1.1713E+01 5.0793E-01 -1.3677E+01 H1 2954 1.008000 0.423800 -1.2184E+01 1.8238E-01 -1.4497E+01 H2 2955 1.008000 0.423800 -1.1564E+01 -2.5853E-01 -1.3053E+01 O6 2956 15.999400 -0.847600 1.1362E+01 1.5355E+01 7.1970E+00 H1 2957 1.008000 0.423800 1.1554E+01 1.6275E+01 7.5389E+00 H2 2958 1.008000 0.423800 1.1849E+01 1.5212E+01 6.3354E+00 O6 2959 15.999400 -0.847600 6.9956E+00 -1.2866E+01 -5.9997E+00 H1 2960 1.008000 0.423800 6.7018E+00 -1.2584E+01 -5.0864E+00 H2 2961 1.008000 0.423800 7.3424E+00 -1.2072E+01 -6.4986E+00 O6 2962 15.999400 -0.847600 -1.8106E+01 -7.1288E+00 -2.0483E-01 H1 2963 1.008000 0.423800 -1.8229E+01 -6.7258E+00 7.0217E-01 H2 2964 1.008000 0.423800 -1.7998E+01 -6.4003E+00 -8.8130E-01 O6 2965 15.999400 -0.847600 1.7325E+01 -1.6177E+01 -5.2291E+00 H1 2966 1.008000 0.423800 1.6886E+01 -1.5828E+01 -6.0572E+00 H2 2967 1.008000 0.423800 1.7378E+01 -1.7174E+01 -5.2756E+00 O6 2968 15.999400 -0.847600 1.2140E+01 -7.3954E+00 1.5529E+01 H1 2969 1.008000 0.423800 1.2072E+01 -7.9282E+00 1.6373E+01 H2 2970 1.008000 0.423800 1.1439E+01 -6.6824E+00 1.5528E+01 O6 2971 15.999400 -0.847600 1.9608E+00 5.0323E+00 1.8093E+01 H1 2972 1.008000 0.423800 1.1191E+00 5.4616E+00 1.8420E+01 H2 2973 1.008000 0.423800 2.2535E+00 4.3324E+00 1.8744E+01 O6 2974 15.999400 -0.847600 -1.4805E+01 1.6547E+01 7.8890E+00 H1 2975 1.008000 0.423800 -1.5762E+01 1.6607E+01 8.1723E+00 H2 2976 1.008000 0.423800 -1.4284E+01 1.6043E+01 8.5786E+00 O6 2977 15.999400 -0.847600 7.4493E+00 1.5287E+00 -2.4772E+00 H1 2978 1.008000 0.423800 7.6274E+00 5.4524E-01 -2.5099E+00 H2 2979 1.008000 0.423800 8.0757E+00 1.9594E+00 -1.8275E+00 O6 2980 15.999400 -0.847600 1.2146E+01 1.8062E+00 -7.1733E+00 H1 2981 1.008000 0.423800 1.1841E+01 1.8064E+00 -6.2210E+00 H2 2982 1.008000 0.423800 1.1361E+01 1.6594E+00 -7.7748E+00 O6 2983 15.999400 -0.847600 -3.0040E-01 6.0322E+00 7.0315E+00 H1 2984 1.008000 0.423800 -1.0769E+00 5.6579E+00 7.5385E+00 H2 2985 1.008000 0.423800 -1.0851E-01 5.4520E+00 6.2399E+00 O6 2986 15.999400 -0.847600 -3.9465E+00 -9.7523E+00 1.7749E+01 H1 2987 1.008000 0.423800 -3.3379E+00 -8.9643E+00 1.7843E+01 H2 2988 1.008000 0.423800 -3.4563E+00 -1.0501E+01 1.7303E+01 O6 2989 15.999400 -0.847600 8.7251E+00 1.2783E+01 3.7624E-02 H1 2990 1.008000 0.423800 7.8526E+00 1.2613E+01 -4.2022E-01 H2 2991 1.008000 0.423800 8.5557E+00 1.3160E+01 9.4829E-01 O6 2992 15.999400 -0.847600 2.8334E+00 1.1716E+01 -1.6915E+01 H1 2993 1.008000 0.423800 1.9702E+00 1.1622E+01 -1.6419E+01 H2 2994 1.008000 0.423800 3.1966E+00 1.0809E+01 -1.7128E+01 O6 2995 15.999400 -0.847600 7.5360E+00 -1.3114E+01 -1.7873E+01 H1 2996 1.008000 0.423800 8.4298E+00 -1.3383E+01 -1.8231E+01 H2 2997 1.008000 0.423800 6.9244E+00 -1.2894E+01 -1.8633E+01 O6 2998 15.999400 -0.847600 -1.9383E+01 -3.9819E+00 4.2846E+00 H1 2999 1.008000 0.423800 -1.8958E+01 -3.1519E+00 4.6457E+00 H2 3000 1.008000 0.423800 1.8999E+01 -3.7329E+00 3.6320E+00 O6 3001 15.999400 -0.847600 -2.0896E+00 1.6263E+01 -1.4125E+01 H1 3002 1.008000 0.423800 -2.2577E+00 1.5278E+01 -1.4088E+01 H2 3003 1.008000 0.423800 -1.8689E+00 1.6599E+01 -1.3210E+01 O6 3004 15.999400 -0.847600 -1.8095E+01 1.6665E+01 -1.8840E+01 H1 3005 1.008000 0.423800 -1.9056E+01 1.6751E+01 -1.8575E+01 H2 3006 1.008000 0.423800 -1.7570E+01 1.6299E+01 -1.8071E+01 O6 3007 15.999400 -0.847600 4.0878E+00 -3.0163E+00 -5.2729E+00 H1 3008 1.008000 0.423800 4.0904E+00 -3.7312E+00 -4.5737E+00 H2 3009 1.008000 0.423800 3.1504E+00 -2.7034E+00 -5.4261E+00 O6 3010 15.999400 -0.847600 -1.9542E+01 1.8025E+01 1.5546E+01 H1 3011 1.008000 0.423800 -1.9120E+01 1.8321E+01 1.6403E+01 H2 3012 1.008000 0.423800 1.8614E+01 1.7737E+01 1.5721E+01 O6 3013 15.999400 -0.847600 6.3071E+00 -1.7753E+01 3.4529E-02 H1 3014 1.008000 0.423800 7.0728E+00 -1.7366E+01 -4.7917E-01 H2 3015 1.008000 0.423800 5.5581E+00 -1.7965E+01 -5.9312E-01 O6 3016 15.999400 -0.847600 -8.7791E-02 -2.6235E+00 1.4966E+01 H1 3017 1.008000 0.423800 2.2743E-01 -2.5037E+00 1.5907E+01 H2 3018 1.008000 0.423800 -5.4109E-01 -3.5103E+00 1.4876E+01 O6 3019 15.999400 -0.847600 -1.6302E+01 8.0595E+00 7.4671E+00 H1 3020 1.008000 0.423800 -1.6023E+01 7.9894E+00 6.5092E+00 H2 3021 1.008000 0.423800 -1.5658E+01 7.5516E+00 8.0394E+00 O6 3022 15.999400 -0.847600 1.1384E+01 -1.0439E+01 1.3577E+01 H1 3023 1.008000 0.423800 1.1673E+01 -9.8222E+00 1.2844E+01 H2 3024 1.008000 0.423800 1.0685E+01 -9.9898E+00 1.4134E+01 O6 3025 15.999400 -0.847600 -1.1391E+01 -1.0804E+00 -4.3295E+00 H1 3026 1.008000 0.423800 -1.1671E+01 -7.4070E-01 -3.4315E+00 H2 3027 1.008000 0.423800 -1.1862E+01 -5.6265E-01 -5.0434E+00 O6 3028 15.999400 -0.847600 -9.1373E+00 -1.1884E+01 -1.2864E+01 H1 3029 1.008000 0.423800 -8.8531E+00 -1.1580E+01 -1.3773E+01 H2 3030 1.008000 0.423800 -8.8174E+00 -1.2819E+01 -1.2710E+01 O6 3031 15.999400 -0.847600 1.7076E+01 -1.5043E+01 1.2578E+01 H1 3032 1.008000 0.423800 1.7326E+01 -1.5317E+01 1.1649E+01 H2 3033 1.008000 0.423800 1.7906E+01 -1.4911E+01 1.3120E+01 O6 3034 15.999400 -0.847600 1.0540E+01 2.1250E+00 1.5103E+01 H1 3035 1.008000 0.423800 1.0116E+01 1.6706E+00 1.4319E+01 H2 3036 1.008000 0.423800 1.1522E+01 2.2198E+00 1.4941E+01 O6 3037 15.999400 -0.847600 1.3248E+01 -1.0463E+01 -2.4359E+00 H1 3038 1.008000 0.423800 1.3922E+01 -9.7329E+00 -2.5460E+00 H2 3039 1.008000 0.423800 1.2327E+01 -1.0078E+01 -2.4891E+00 O6 3040 15.999400 -0.847600 -1.2216E+01 -1.0045E+01 1.0185E+01 H1 3041 1.008000 0.423800 -1.2482E+01 -9.0963E+00 1.0353E+01 H2 3042 1.008000 0.423800 -1.2945E+01 -1.0513E+01 9.6853E+00 O6 3043 15.999400 -0.847600 1.0334E+01 -1.7298E+01 1.6158E-01 H1 3044 1.008000 0.423800 9.5507E+00 -1.7127E+01 -4.3562E-01 H2 3045 1.008000 0.423800 1.1177E+01 -1.7259E+01 -3.7510E-01 O6 3046 15.999400 -0.847600 4.7569E+00 2.4130E+00 1.7316E+01 H1 3047 1.008000 0.423800 3.9756E+00 2.8337E+00 1.6855E+01 H2 3048 1.008000 0.423800 5.4536E+00 3.1082E+00 1.7493E+01 O6 3049 15.999400 -0.847600 1.9757E+00 -1.5634E+01 6.3679E+00 H1 3050 1.008000 0.423800 2.3538E+00 -1.6156E+01 7.1327E+00 H2 3051 1.008000 0.423800 1.1833E+00 -1.6116E+01 5.9947E+00 O6 3052 15.999400 -0.847600 -1.6534E+01 -1.2291E+01 -8.1182E+00 H1 3053 1.008000 0.423800 -1.5844E+01 -1.2494E+01 -7.4233E+00 H2 3054 1.008000 0.423800 -1.6243E+01 -1.2669E+01 -8.9971E+00 O6 3055 15.999400 -0.847600 -6.3715E+00 -8.8965E+00 1.6268E+01 H1 3056 1.008000 0.423800 -5.9672E+00 -7.9844E+00 1.6338E+01 H2 3057 1.008000 0.423800 -5.6991E+00 -9.5813E+00 1.6549E+01 O6 3058 15.999400 -0.847600 5.7433E+00 -4.6049E+00 5.0989E-01 H1 3059 1.008000 0.423800 5.3395E+00 -5.0620E+00 -2.8259E-01 H2 3060 1.008000 0.423800 6.3747E+00 -3.8945E+00 1.9895E-01 O6 3061 15.999400 -0.847600 -1.8469E+01 6.7897E+00 1.7708E+01 H1 3062 1.008000 0.423800 -1.8282E+01 7.7362E+00 1.7445E+01 H2 3063 1.008000 0.423800 -1.8758E+01 6.7608E+00 1.8665E+01 O6 3064 15.999400 -0.847600 1.7895E+00 -8.2870E+00 1.4574E+01 H1 3065 1.008000 0.423800 8.8219E-01 -8.6746E+00 1.4737E+01 H2 3066 1.008000 0.423800 2.4864E+00 -8.9058E+00 1.4937E+01 O6 3067 15.999400 -0.847600 -2.0960E+00 7.4520E+00 4.2302E+00 H1 3068 1.008000 0.423800 -1.3559E+00 6.9233E+00 3.8145E+00 H2 3069 1.008000 0.423800 -1.7264E+00 8.0241E+00 4.9623E+00 O6 3070 15.999400 -0.847600 -1.9325E+01 1.3578E+01 -9.6387E+00 H1 3071 1.008000 0.423800 -1.8797E+01 1.2889E+01 -1.0135E+01 H2 3072 1.008000 0.423800 -1.9247E+01 1.3414E+01 -8.6554E+00 O6 3073 15.999400 -0.847600 -4.4417E+00 1.8324E+01 1.1891E+01 H1 3074 1.008000 0.423800 -4.4242E+00 1.7539E+01 1.2510E+01 H2 3075 1.008000 0.423800 -4.3366E+00 1.8007E+01 1.0948E+01 O6 3076 15.999400 -0.847600 -3.8280E+00 1.2952E+01 1.1272E+01 H1 3077 1.008000 0.423800 -4.8248E+00 1.3032E+01 1.1281E+01 H2 3078 1.008000 0.423800 -3.4748E+00 1.3287E+01 1.0398E+01 O6 3079 15.999400 -0.847600 1.5411E+01 1.4416E+01 5.3825E+00 H1 3080 1.008000 0.423800 1.4946E+01 1.4955E+01 4.6803E+00 H2 3081 1.008000 0.423800 1.6385E+01 1.4643E+01 5.3858E+00 O6 3082 15.999400 -0.847600 1.4969E+01 -1.7731E+01 -1.0856E+01 H1 3083 1.008000 0.423800 1.3970E+01 -1.7774E+01 -1.0814E+01 H2 3084 1.008000 0.423800 1.5298E+01 -1.8333E+01 -1.1583E+01 O6 3085 15.999400 -0.847600 1.7819E+01 1.6206E+01 6.3879E+00 H1 3086 1.008000 0.423800 1.7306E+01 1.5913E+01 7.1948E+00 H2 3087 1.008000 0.423800 1.8795E+01 1.6051E+01 6.5391E+00 O6 3088 15.999400 -0.847600 -1.9559E+00 1.0884E+01 -4.9855E+00 H1 3089 1.008000 0.423800 -1.8115E+00 1.1321E+01 -4.0977E+00 H2 3090 1.008000 0.423800 -1.7535E+00 9.9070E+00 -4.9130E+00 O6 3091 15.999400 -0.847600 6.0488E+00 7.2350E+00 1.7866E+01 H1 3092 1.008000 0.423800 5.1646E+00 6.9976E+00 1.7464E+01 H2 3093 1.008000 0.423800 6.7526E+00 7.2209E+00 1.7156E+01 O6 3094 15.999400 -0.847600 -1.5672E+01 -3.1269E-01 6.6884E+00 H1 3095 1.008000 0.423800 -1.4885E+01 2.9223E-01 6.8121E+00 H2 3096 1.008000 0.423800 -1.5932E+01 -7.0538E-01 7.5705E+00 O6 3097 15.999400 -0.847600 1.8303E+01 3.9698E-01 -5.9488E+00 H1 3098 1.008000 0.423800 1.7403E+01 -1.4369E-02 -6.0936E+00 H2 3099 1.008000 0.423800 1.8713E+01 6.2139E-01 -6.8329E+00 O6 3100 15.999400 -0.847600 1.7033E+01 6.4978E-01 1.5190E+01 H1 3101 1.008000 0.423800 1.6390E+01 1.6083E-02 1.4760E+01 H2 3102 1.008000 0.423800 1.7753E+01 1.3169E-01 1.5652E+01 O6 3103 15.999400 -0.847600 -1.4707E+01 3.1686E+00 9.7428E+00 H1 3104 1.008000 0.423800 -1.5382E+01 2.6332E+00 1.0251E+01 H2 3105 1.008000 0.423800 -1.4863E+01 4.1427E+00 9.9069E+00 O6 3106 15.999400 -0.847600 3.0505E+00 1.4566E+01 -3.9486E+00 H1 3107 1.008000 0.423800 4.0182E+00 1.4718E+01 -4.1493E+00 H2 3108 1.008000 0.423800 2.8688E+00 1.3583E+01 -3.9098E+00 O6 3109 15.999400 -0.847600 1.1159E+01 -1.4292E+01 -2.0133E-01 H1 3110 1.008000 0.423800 1.1700E+01 -1.3450E+01 -1.9564E-01 H2 3111 1.008000 0.423800 1.1172E+01 -1.4690E+01 -1.1184E+00 O6 3112 15.999400 -0.847600 -6.8943E+00 -1.2837E+00 -1.5034E+01 H1 3113 1.008000 0.423800 -7.3464E+00 -1.5946E+00 -1.5870E+01 H2 3114 1.008000 0.423800 -6.1744E+00 -1.9312E+00 -1.4784E+01 O6 3115 15.999400 -0.847600 -1.1250E+01 1.3867E+01 -1.6536E+01 H1 3116 1.008000 0.423800 -1.1102E+01 1.3205E+01 -1.5801E+01 H2 3117 1.008000 0.423800 -1.1462E+01 1.3381E+01 -1.7384E+01 O6 3118 15.999400 -0.847600 9.7481E+00 -1.4869E+01 3.7764E+00 H1 3119 1.008000 0.423800 9.4218E+00 -1.5434E+01 4.5343E+00 H2 3120 1.008000 0.423800 9.2424E+00 -1.4007E+01 3.7618E+00 O6 3121 15.999400 -0.847600 -6.5520E+00 3.7508E+00 -2.2072E+00 H1 3122 1.008000 0.423800 -7.2715E+00 4.3722E+00 -1.8970E+00 H2 3123 1.008000 0.423800 -6.8771E+00 2.8071E+00 -2.1451E+00 O6 3124 15.999400 -0.847600 -1.8258E+01 9.4740E+00 1.6970E+01 H1 3125 1.008000 0.423800 -1.8903E+01 9.9210E+00 1.7589E+01 H2 3126 1.008000 0.423800 -1.7423E+01 1.0021E+01 1.6906E+01 O6 3127 15.999400 -0.847600 -2.0475E+00 -1.0941E+01 1.1437E+01 H1 3128 1.008000 0.423800 -1.3350E+00 -1.0370E+01 1.1029E+01 H2 3129 1.008000 0.423800 -2.4081E+00 -1.1568E+01 1.0746E+01 O6 3130 15.999400 -0.847600 1.6419E+01 -1.8694E+01 1.3606E+01 H1 3131 1.008000 0.423800 1.5823E+01 -1.8817E+01 1.4399E+01 H2 3132 1.008000 0.423800 1.5893E+01 -1.8302E+01 1.2851E+01 O6 3133 15.999400 -0.847600 5.0364E+00 1.5313E+00 -1.7466E+01 H1 3134 1.008000 0.423800 5.3333E+00 2.4831E+00 -1.7543E+01 H2 3135 1.008000 0.423800 5.1246E+00 1.2305E+00 -1.6516E+01 O6 3136 15.999400 -0.847600 -7.0889E+00 -1.5359E+01 -1.9033E+01 H1 3137 1.008000 0.423800 -6.4053E+00 -1.4768E+01 -1.8605E+01 H2 3138 1.008000 0.423800 -6.9706E+00 -1.5341E+01 1.9072E+01 O6 3139 15.999400 -0.847600 1.3532E+00 -7.3753E+00 -2.5596E+00 H1 3140 1.008000 0.423800 1.5792E+00 -7.7801E+00 -3.4456E+00 H2 3141 1.008000 0.423800 9.8866E-01 -6.4544E+00 -2.6973E+00 O6 3142 15.999400 -0.847600 1.5210E+01 -8.4959E+00 1.6227E+01 H1 3143 1.008000 0.423800 1.4845E+01 -8.4410E+00 1.7156E+01 H2 3144 1.008000 0.423800 1.4783E+01 -9.2613E+00 1.5746E+01 O6 3145 15.999400 -0.847600 -1.4207E+01 3.1507E+00 4.5991E+00 H1 3146 1.008000 0.423800 -1.3558E+01 2.3977E+00 4.4893E+00 H2 3147 1.008000 0.423800 -1.4731E+01 3.0184E+00 5.4400E+00 O6 3148 15.999400 -0.847600 -1.6995E+01 -6.4457E+00 -1.5662E+01 H1 3149 1.008000 0.423800 -1.7556E+01 -6.5863E+00 -1.6477E+01 H2 3150 1.008000 0.423800 -1.6970E+01 -7.2891E+00 -1.5125E+01 O6 3151 15.999400 -0.847600 2.7727E+00 1.8114E+01 -1.5286E+00 H1 3152 1.008000 0.423800 1.8958E+00 1.7803E+01 -1.8946E+00 H2 3153 1.008000 0.423800 3.3953E+00 1.7336E+01 -1.4469E+00 O6 3154 15.999400 -0.847600 -8.7635E+00 -1.6679E+01 -1.5841E+00 H1 3155 1.008000 0.423800 -9.5674E+00 -1.6478E+01 -1.0240E+00 H2 3156 1.008000 0.423800 -8.8918E+00 -1.7554E+01 -2.0494E+00 O6 3157 15.999400 -0.847600 3.4989E+00 7.8832E-01 6.0389E+00 H1 3158 1.008000 0.423800 3.9355E+00 1.2399E+00 6.8170E+00 H2 3159 1.008000 0.423800 3.2099E+00 -1.3093E-01 6.3062E+00 O6 3160 15.999400 -0.847600 -9.1263E-02 1.1259E+01 1.1713E+01 H1 3161 1.008000 0.423800 -1.0061E+00 1.1098E+01 1.2084E+01 H2 3162 1.008000 0.423800 1.6136E-01 1.0503E+01 1.1109E+01 O6 3163 15.999400 -0.847600 1.7723E+01 -9.6210E+00 -2.2248E+00 H1 3164 1.008000 0.423800 1.6909E+01 -9.1888E+00 -2.6124E+00 H2 3165 1.008000 0.423800 1.8096E+01 -1.0277E+01 -2.8807E+00 O6 3166 15.999400 -0.847600 3.4204E+00 -9.6367E+00 -1.3764E+01 H1 3167 1.008000 0.423800 2.8843E+00 -8.8276E+00 -1.3524E+01 H2 3168 1.008000 0.423800 4.1957E+00 -9.7211E+00 -1.3138E+01 O6 3169 15.999400 -0.847600 -4.0497E+00 2.6421E+00 1.3891E+00 H1 3170 1.008000 0.423800 -5.0285E+00 2.6527E+00 1.5936E+00 H2 3171 1.008000 0.423800 -3.8650E+00 3.2442E+00 6.1235E-01 O6 3172 15.999400 -0.847600 1.3488E+01 -4.2344E+00 4.2774E-01 H1 3173 1.008000 0.423800 1.2833E+01 -4.4431E+00 1.1545E+00 H2 3174 1.008000 0.423800 1.3193E+01 -3.4128E+00 -6.0192E-02 O6 3175 15.999400 -0.847600 1.2545E-01 -1.8232E-01 -1.0157E+01 H1 3176 1.008000 0.423800 -8.0585E-02 5.4225E-02 -9.2079E+00 H2 3177 1.008000 0.423800 -1.6393E-01 -1.1225E+00 -1.0337E+01 O6 3178 15.999400 -0.847600 1.8084E+01 5.4007E+00 -1.1870E+01 H1 3179 1.008000 0.423800 1.7275E+01 5.9541E+00 -1.2070E+01 H2 3180 1.008000 0.423800 1.8778E+01 5.9715E+00 -1.1432E+01 O6 3181 15.999400 -0.847600 -1.1267E+01 -1.3445E+01 6.1021E-01 H1 3182 1.008000 0.423800 -1.0283E+01 -1.3398E+01 4.3591E-01 H2 3183 1.008000 0.423800 -1.1440E+01 -1.3299E+01 1.5842E+00 O6 3184 15.999400 -0.847600 1.2610E+01 1.2822E+01 3.7339E+00 H1 3185 1.008000 0.423800 1.3349E+01 1.2231E+01 4.0593E+00 H2 3186 1.008000 0.423800 1.2891E+01 1.3779E+01 3.8083E+00 O6 3187 15.999400 -0.847600 1.4511E+01 1.3103E+01 1.4965E+01 H1 3188 1.008000 0.423800 1.4421E+01 1.2653E+01 1.4076E+01 H2 3189 1.008000 0.423800 1.5312E+01 1.3702E+01 1.4955E+01 O6 3190 15.999400 -0.847600 1.4683E+01 -9.6270E+00 -1.4649E+01 H1 3191 1.008000 0.423800 1.4737E+01 -1.0621E+01 -1.4740E+01 H2 3192 1.008000 0.423800 1.4018E+01 -9.2685E+00 -1.5304E+01 O6 3193 15.999400 -0.847600 -1.3302E+01 -1.5437E+01 1.8680E+01 H1 3194 1.008000 0.423800 -1.4173E+01 -1.5525E+01 1.8197E+01 H2 3195 1.008000 0.423800 -1.2814E+01 -1.4632E+01 1.8341E+01 O6 3196 15.999400 -0.847600 1.6351E+01 -2.1756E+00 9.0162E+00 H1 3197 1.008000 0.423800 1.6381E+01 -2.8401E+00 9.7630E+00 H2 3198 1.008000 0.423800 1.6018E+01 -1.2992E+00 9.3630E+00 O6 3199 15.999400 -0.847600 1.1132E+01 -7.4962E+00 6.5019E+00 H1 3200 1.008000 0.423800 1.0693E+01 -6.6030E+00 6.5977E+00 H2 3201 1.008000 0.423800 1.1658E+01 -7.6996E+00 7.3282E+00 O6 3202 15.999400 -0.847600 1.3804E+01 -8.7098E+00 4.5013E+00 H1 3203 1.008000 0.423800 1.3405E+01 -9.5190E+00 4.9327E+00 H2 3204 1.008000 0.423800 1.3254E+01 -7.9059E+00 4.7283E+00 O6 3205 15.999400 -0.847600 -9.6637E+00 -7.2392E-01 1.8297E+01 H1 3206 1.008000 0.423800 -9.7912E+00 -1.6200E+00 1.7872E+01 H2 3207 1.008000 0.423800 -9.6437E+00 -1.8642E-02 1.7589E+01 O6 3208 15.999400 -0.847600 3.3024E-01 8.7484E+00 8.6850E+00 H1 3209 1.008000 0.423800 8.4029E-01 8.1411E+00 8.0758E+00 H2 3210 1.008000 0.423800 5.6589E-01 8.5423E+00 9.6347E+00 O6 3211 15.999400 -0.847600 -1.4092E+01 1.6900E+01 -3.8955E+00 H1 3212 1.008000 0.423800 -1.4419E+01 1.7326E+01 -3.0518E+00 H2 3213 1.008000 0.423800 -1.3938E+01 1.7606E+01 -4.5869E+00 O6 3214 15.999400 -0.847600 -7.7091E+00 -1.4299E+01 -2.9596E+00 H1 3215 1.008000 0.423800 -8.0291E+00 -1.5177E+01 -2.6040E+00 H2 3216 1.008000 0.423800 -7.0856E+00 -1.3879E+01 -2.2999E+00 O6 3217 15.999400 -0.847600 -1.2871E+01 -2.2840E+00 8.4875E+00 H1 3218 1.008000 0.423800 -1.2542E+01 -2.0651E+00 7.5688E+00 H2 3219 1.008000 0.423800 -1.2130E+01 -2.1537E+00 9.1464E+00 O6 3220 15.999400 -0.847600 1.2696E+00 8.0694E+00 1.1213E+01 H1 3221 1.008000 0.423800 2.1478E+00 8.3303E+00 1.0812E+01 H2 3222 1.008000 0.423800 1.2668E+00 8.2972E+00 1.2187E+01 O6 3223 15.999400 -0.847600 -1.4283E+01 -9.0161E+00 -1.6369E+01 H1 3224 1.008000 0.423800 -1.5188E+01 -9.3805E+00 -1.6148E+01 H2 3225 1.008000 0.423800 -1.4382E+01 -8.1278E+00 -1.6818E+01 O6 3226 15.999400 -0.847600 1.5981E+00 1.3546E+01 1.0767E+01 H1 3227 1.008000 0.423800 1.4728E+00 1.4356E+01 1.1340E+01 H2 3228 1.008000 0.423800 1.0278E+00 1.2801E+01 1.1113E+01 O6 3229 15.999400 -0.847600 5.3181E+00 -4.4148E+00 -7.4373E+00 H1 3230 1.008000 0.423800 5.8673E+00 -3.9591E+00 -8.1378E+00 H2 3231 1.008000 0.423800 4.8810E+00 -3.7275E+00 -6.8572E+00 O6 3232 15.999400 -0.847600 1.7778E+01 5.7022E-01 1.2231E+01 H1 3233 1.008000 0.423800 1.7163E+01 2.6203E-01 1.2958E+01 H2 3234 1.008000 0.423800 1.8162E+01 -2.2396E-01 1.1761E+01 O6 3235 15.999400 -0.847600 1.0234E+01 7.6539E+00 -7.3574E+00 H1 3236 1.008000 0.423800 1.0768E+01 7.8395E+00 -8.1824E+00 H2 3237 1.008000 0.423800 9.4164E+00 7.1317E+00 -7.5998E+00 O6 3238 15.999400 -0.847600 -1.3679E+01 1.9138E+01 -5.8485E+00 H1 3239 1.008000 0.423800 -1.2693E+01 1.9021E+01 -5.7267E+00 H2 3240 1.008000 0.423800 -1.3926E+01 -1.9008E+01 -5.6685E+00 O6 3241 15.999400 -0.847600 9.5965E+00 1.2130E+01 -1.2853E+01 H1 3242 1.008000 0.423800 9.1667E+00 1.2235E+01 -1.1956E+01 H2 3243 1.008000 0.423800 1.0175E+01 1.2924E+01 -1.3040E+01 O6 3244 15.999400 -0.847600 -8.2766E+00 1.7710E+01 -1.5369E+01 H1 3245 1.008000 0.423800 -7.5091E+00 1.7082E+01 -1.5241E+01 H2 3246 1.008000 0.423800 -8.9735E+00 1.7273E+01 -1.5938E+01 O6 3247 15.999400 -0.847600 3.3884E+00 1.8546E+01 3.8099E+00 H1 3248 1.008000 0.423800 2.5471E+00 1.8839E+01 4.2647E+00 H2 3249 1.008000 0.423800 3.2815E+00 1.8639E+01 2.8200E+00 O6 3250 15.999400 -0.847600 -5.0501E+00 9.1686E+00 1.1390E+01 H1 3251 1.008000 0.423800 -5.0256E+00 8.9623E+00 1.0412E+01 H2 3252 1.008000 0.423800 -4.1697E+00 8.9343E+00 1.1803E+01 O6 3253 15.999400 -0.847600 1.9197E+01 -1.1925E+01 -2.7473E+00 H1 3254 1.008000 0.423800 1.9509E+01 -1.2276E+01 -3.6303E+00 H2 3255 1.008000 0.423800 1.9494E+01 -1.2542E+01 -2.0193E+00 O6 3256 15.999400 -0.847600 1.5197E+01 1.0354E+00 4.5568E+00 H1 3257 1.008000 0.423800 1.5076E+01 1.9997E-01 5.0930E+00 H2 3258 1.008000 0.423800 1.5746E+01 1.6890E+00 5.0775E+00 O6 3259 15.999400 -0.847600 -8.1238E+00 9.1387E+00 1.3101E+01 H1 3260 1.008000 0.423800 -7.3238E+00 8.5955E+00 1.3356E+01 H2 3261 1.008000 0.423800 -7.8287E+00 1.0045E+01 1.2798E+01 O6 3262 15.999400 -0.847600 -5.5705E+00 -1.8585E+01 8.9911E+00 H1 3263 1.008000 0.423800 -5.4399E+00 -1.9200E+01 8.2133E+00 H2 3264 1.008000 0.423800 -4.7881E+00 -1.8659E+01 9.6096E+00 O6 3265 15.999400 -0.847600 -3.3629E+00 2.0130E+00 -2.3167E+00 H1 3266 1.008000 0.423800 -3.7492E+00 2.5802E+00 -1.5894E+00 H2 3267 1.008000 0.423800 -2.6106E+00 2.5028E+00 -2.7573E+00 O6 3268 15.999400 -0.847600 1.2790E+01 -1.1818E+01 8.3577E+00 H1 3269 1.008000 0.423800 1.2757E+01 -1.1083E+01 9.0341E+00 H2 3270 1.008000 0.423800 1.2995E+01 -1.1435E+01 7.4574E+00 O6 3271 15.999400 -0.847600 -4.6748E+00 -3.8068E+00 1.6169E+01 H1 3272 1.008000 0.423800 -4.1505E+00 -3.1656E+00 1.6729E+01 H2 3273 1.008000 0.423800 -5.6471E+00 -3.7215E+00 1.6386E+01 O6 3274 15.999400 -0.847600 -2.7763E-01 -6.4837E+00 1.1299E+01 H1 3275 1.008000 0.423800 -9.4243E-01 -6.5677E+00 1.2041E+01 H2 3276 1.008000 0.423800 -4.6892E-01 -5.6554E+00 1.0772E+01 O6 3277 15.999400 -0.847600 6.8270E+00 -1.2533E+01 1.5827E+01 H1 3278 1.008000 0.423800 7.6498E+00 -1.3093E+01 1.5922E+01 H2 3279 1.008000 0.423800 6.0619E+00 -1.3110E+01 1.5542E+01 O6 3280 15.999400 -0.847600 -1.0745E+01 4.0861E+00 -9.0979E+00 H1 3281 1.008000 0.423800 -1.0290E+01 4.9767E+00 -9.1227E+00 H2 3282 1.008000 0.423800 -1.0085E+01 3.3693E+00 -9.3242E+00 O6 3283 15.999400 -0.847600 -1.1705E+01 -3.1608E+00 5.5348E+00 H1 3284 1.008000 0.423800 -1.2595E+01 -3.5267E+00 5.8072E+00 H2 3285 1.008000 0.423800 -1.1146E+01 -3.8956E+00 5.1509E+00 O6 3286 15.999400 -0.847600 1.3160E+01 -2.8262E+00 -1.7349E+01 H1 3287 1.008000 0.423800 1.2530E+01 -3.0548E+00 -1.8091E+01 H2 3288 1.008000 0.423800 1.3569E+01 -1.9303E+00 -1.7523E+01 O6 3289 15.999400 -0.847600 -6.4525E+00 -1.7657E+01 -5.9585E-01 H1 3290 1.008000 0.423800 -5.7008E+00 -1.6997E+01 -5.8112E-01 H2 3291 1.008000 0.423800 -7.2034E+00 -1.7294E+01 -1.1476E+00 O6 3292 15.999400 -0.847600 1.0427E+01 5.8645E+00 7.9010E+00 H1 3293 1.008000 0.423800 1.1362E+01 5.5594E+00 8.0827E+00 H2 3294 1.008000 0.423800 1.0318E+01 6.0390E+00 6.9224E+00 O6 3295 15.999400 -0.847600 1.8523E+01 1.6891E+01 -1.8095E+01 H1 3296 1.008000 0.423800 1.8157E+01 1.7760E+01 -1.7761E+01 H2 3297 1.008000 0.423800 1.7917E+01 1.6146E+01 -1.7817E+01 O6 3298 15.999400 -0.847600 -1.4379E+01 -4.1995E+00 -2.2696E+00 H1 3299 1.008000 0.423800 -1.4610E+01 -4.3157E+00 -1.3039E+00 H2 3300 1.008000 0.423800 -1.4672E+01 -3.2939E+00 -2.5761E+00 O6 3301 15.999400 -0.847600 -1.1505E+01 -8.1638E+00 1.3103E+01 H1 3302 1.008000 0.423800 -1.1620E+01 -7.4080E+00 1.3747E+01 H2 3303 1.008000 0.423800 -1.2170E+01 -8.0735E+00 1.2361E+01 O6 3304 15.999400 -0.847600 -8.5158E+00 -1.4094E+01 3.3558E+00 H1 3305 1.008000 0.423800 -8.0818E+00 -1.4718E+01 4.0061E+00 H2 3306 1.008000 0.423800 -9.4952E+00 -1.4039E+01 3.5500E+00 O6 3307 15.999400 -0.847600 2.9057E+00 2.8847E+00 4.5010E+00 H1 3308 1.008000 0.423800 2.5548E+00 2.4965E+00 3.6488E+00 H2 3309 1.008000 0.423800 3.0270E+00 2.1553E+00 5.1743E+00 O6 3310 15.999400 -0.847600 -1.3396E+01 9.3425E+00 -6.6710E-01 H1 3311 1.008000 0.423800 -1.3331E+01 1.0008E+01 7.6410E-02 H2 3312 1.008000 0.423800 -1.3450E+01 9.8242E+00 -1.5418E+00 O6 3313 15.999400 -0.847600 1.4089E+01 1.1380E+01 1.2556E+01 H1 3314 1.008000 0.423800 1.3656E+01 1.0806E+01 1.3251E+01 H2 3315 1.008000 0.423800 1.4474E+01 1.0800E+01 1.1838E+01 O6 3316 15.999400 -0.847600 -2.3809E+00 -7.5096E+00 1.7575E+01 H1 3317 1.008000 0.423800 -1.8398E+00 -7.8665E+00 1.6814E+01 H2 3318 1.008000 0.423800 -1.7964E+00 -6.9566E+00 1.8169E+01 O6 3319 15.999400 -0.847600 -1.5302E-01 1.9257E+01 1.6248E+01 H1 3320 1.008000 0.423800 2.9612E-01 1.8366E+01 1.6188E+01 H2 3321 1.008000 0.423800 5.3046E-01 -1.9116E+01 1.6158E+01 O6 3322 15.999400 -0.847600 1.4868E+00 -5.7947E+00 -1.0762E+01 H1 3323 1.008000 0.423800 2.2742E+00 -6.0510E+00 -1.0201E+01 H2 3324 1.008000 0.423800 1.2160E+00 -4.8563E+00 -1.0547E+01 O6 3325 15.999400 -0.847600 9.9223E+00 -7.1007E+00 -5.7446E+00 H1 3326 1.008000 0.423800 1.0915E+01 -7.0643E+00 -5.8626E+00 H2 3327 1.008000 0.423800 9.6909E+00 -7.8183E+00 -5.0877E+00 O6 3328 15.999400 -0.847600 -1.4892E+01 7.5051E+00 -1.8580E+01 H1 3329 1.008000 0.423800 -1.4089E+01 7.0178E+00 -1.8923E+01 H2 3330 1.008000 0.423800 -1.4944E+01 7.4037E+00 -1.7586E+01 O6 3331 15.999400 -0.847600 -5.4177E+00 -2.3799E+00 1.2968E+01 H1 3332 1.008000 0.423800 -4.6404E+00 -2.8155E+00 1.3422E+01 H2 3333 1.008000 0.423800 -6.2496E+00 -2.9013E+00 1.3158E+01 O6 3334 15.999400 -0.847600 -7.2984E-01 8.9037E+00 -1.6711E+01 H1 3335 1.008000 0.423800 -4.0411E-02 8.1931E+00 -1.6570E+01 H2 3336 1.008000 0.423800 -4.9334E-01 9.7098E+00 -1.6168E+01 O6 3337 15.999400 -0.847600 2.4124E-01 -9.5238E+00 1.7998E+01 H1 3338 1.008000 0.423800 4.1355E-01 -1.0462E+01 1.8298E+01 H2 3339 1.008000 0.423800 5.8347E-01 -8.8848E+00 1.8687E+01 O6 3340 15.999400 -0.847600 2.1971E+00 2.8321E+00 -1.4273E+01 H1 3341 1.008000 0.423800 2.0924E+00 2.5668E+00 -1.3315E+01 H2 3342 1.008000 0.423800 2.9103E+00 3.5288E+00 -1.4350E+01 O6 3343 15.999400 -0.847600 1.1263E+01 1.8014E+01 -2.6689E+00 H1 3344 1.008000 0.423800 1.0816E+01 1.7845E+01 -3.5475E+00 H2 3345 1.008000 0.423800 1.1175E+01 1.7203E+01 -2.0895E+00 O6 3346 15.999400 -0.847600 9.7334E+00 -1.7621E+01 -1.0249E+01 H1 3347 1.008000 0.423800 8.8322E+00 -1.7351E+01 -1.0587E+01 H2 3348 1.008000 0.423800 9.7510E+00 -1.7548E+01 -9.2518E+00 O6 3349 15.999400 -0.847600 -1.5842E+01 1.9221E+01 -1.0521E+01 H1 3350 1.008000 0.423800 -1.4946E+01 1.9494E+01 -1.0872E+01 H2 3351 1.008000 0.423800 -1.5773E+01 1.9039E+01 -9.5398E+00 O6 3352 15.999400 -0.847600 1.3403E+01 -1.6701E+01 1.3121E+01 H1 3353 1.008000 0.423800 1.3894E+01 -1.6018E+01 1.3661E+01 H2 3354 1.008000 0.423800 1.3891E+01 -1.6862E+01 1.2263E+01 O6 3355 15.999400 -0.847600 3.9422E+00 -6.1778E+00 -5.0070E+00 H1 3356 1.008000 0.423800 3.1392E+00 -6.7457E+00 -5.1880E+00 H2 3357 1.008000 0.423800 4.2997E+00 -5.8214E+00 -5.8702E+00 O6 3358 15.999400 -0.847600 4.9336E-01 6.5383E+00 -1.4876E+01 H1 3359 1.008000 0.423800 -4.4106E-01 6.8650E+00 -1.4734E+01 H2 3360 1.008000 0.423800 8.4175E-01 6.1448E+00 -1.4025E+01 O6 3361 15.999400 -0.847600 1.6039E+01 2.6779E+00 1.2853E+01 H1 3362 1.008000 0.423800 1.5168E+01 2.2790E+00 1.2566E+01 H2 3363 1.008000 0.423800 1.6778E+01 2.0279E+00 1.2675E+01 O6 3364 15.999400 -0.847600 1.3643E+01 1.5218E+01 -1.8212E+01 H1 3365 1.008000 0.423800 1.3600E+01 1.5122E+01 -1.9207E+01 H2 3366 1.008000 0.423800 1.3578E+01 1.4316E+01 -1.7787E+01 O6 3367 15.999400 -0.847600 9.4095E+00 -1.0367E+01 6.1590E+00 H1 3368 1.008000 0.423800 9.8455E+00 -9.5334E+00 6.4992E+00 H2 3369 1.008000 0.423800 8.4408E+00 -1.0189E+01 5.9860E+00 O6 3370 15.999400 -0.847600 1.6892E+01 -7.7712E+00 -5.7416E+00 H1 3371 1.008000 0.423800 1.7636E+01 -8.1161E+00 -6.3144E+00 H2 3372 1.008000 0.423800 1.7269E+01 -7.4051E+00 -4.8908E+00 O6 3373 15.999400 -0.847600 1.2647E+01 1.5569E+01 4.2929E+00 H1 3374 1.008000 0.423800 1.1655E+01 1.5695E+01 4.2517E+00 H2 3375 1.008000 0.423800 1.3098E+01 1.6324E+01 3.8158E+00 O6 3376 15.999400 -0.847600 -1.4743E+01 6.4839E+00 1.2818E+01 H1 3377 1.008000 0.423800 -1.3793E+01 6.7853E+00 1.2890E+01 H2 3378 1.008000 0.423800 -1.4908E+01 5.7407E+00 1.3466E+01 O6 3379 15.999400 -0.847600 5.2497E+00 2.1413E+00 1.1133E+01 H1 3380 1.008000 0.423800 4.6992E+00 1.6946E+00 1.1838E+01 H2 3381 1.008000 0.423800 6.1934E+00 2.2282E+00 1.1452E+01 O6 3382 15.999400 -0.847600 -3.1400E+00 3.1849E-02 2.4383E+00 H1 3383 1.008000 0.423800 -3.5944E+00 9.0015E-01 2.2394E+00 H2 3384 1.008000 0.423800 -3.3827E+00 -6.3943E-01 1.7380E+00 O6 3385 15.999400 -0.847600 1.8855E+01 8.8760E+00 9.1444E+00 H1 3386 1.008000 0.423800 1.8641E+01 7.9888E+00 8.7356E+00 H2 3387 1.008000 0.423800 -1.9329E+01 8.8441E+00 9.5504E+00 O6 3388 15.999400 -0.847600 1.3783E+01 -5.1726E+00 -1.2785E+01 H1 3389 1.008000 0.423800 1.3770E+01 -4.3639E+00 -1.2197E+01 H2 3390 1.008000 0.423800 1.4729E+01 -5.4508E+00 -1.2948E+01 O6 3391 15.999400 -0.847600 -9.5923E+00 1.2268E+01 4.0808E+00 H1 3392 1.008000 0.423800 -9.3155E+00 1.1905E+01 3.1910E+00 H2 3393 1.008000 0.423800 -8.8883E+00 1.2892E+01 4.4198E+00 O6 3394 15.999400 -0.847600 -1.8831E+01 1.4975E+01 6.2953E+00 H1 3395 1.008000 0.423800 -1.8965E+01 1.4553E+01 5.3988E+00 H2 3396 1.008000 0.423800 -1.8039E+01 1.4562E+01 6.7440E+00 O6 3397 15.999400 -0.847600 -9.6795E+00 -3.3860E+00 1.7982E+01 H1 3398 1.008000 0.423800 -1.0575E+01 -3.8186E+00 1.7877E+01 H2 3399 1.008000 0.423800 -9.1195E+00 -3.5792E+00 1.7177E+01 O6 3400 15.999400 -0.847600 -1.4720E+01 6.9119E+00 -7.8207E+00 H1 3401 1.008000 0.423800 -1.5171E+01 6.5740E+00 -6.9944E+00 H2 3402 1.008000 0.423800 -1.4553E+01 7.8937E+00 -7.7311E+00 O6 3403 15.999400 -0.847600 7.8991E+00 -1.6807E+01 1.8980E+01 H1 3404 1.008000 0.423800 8.8560E+00 -1.6546E+01 1.8851E+01 H2 3405 1.008000 0.423800 7.8205E+00 -1.7803E+01 1.8969E+01 O6 3406 15.999400 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8.3816E-01 -1.6721E+01 H2 3423 1.008000 0.423800 8.8805E+00 5.0863E-01 -1.6607E+01 O6 3424 15.999400 -0.847600 1.8266E+01 6.2747E+00 1.1287E+01 H1 3425 1.008000 0.423800 1.7491E+01 5.9801E+00 1.0729E+01 H2 3426 1.008000 0.423800 1.8243E+01 7.2690E+00 1.1391E+01 O6 3427 15.999400 -0.847600 9.5234E+00 -1.1913E+01 -3.5578E+00 H1 3428 1.008000 0.423800 9.2640E+00 -1.2202E+01 -2.6361E+00 H2 3429 1.008000 0.423800 1.0071E+01 -1.2630E+01 -3.9895E+00 O6 3430 15.999400 -0.847600 3.2433E+00 -1.7701E+01 -9.6614E+00 H1 3431 1.008000 0.423800 3.4540E+00 -1.8231E+01 -8.8394E+00 H2 3432 1.008000 0.423800 2.7076E+00 -1.8264E+01 -1.0291E+01 O6 3433 15.999400 -0.847600 -1.1748E+01 1.5854E+01 -7.8046E+00 H1 3434 1.008000 0.423800 -1.2289E+01 1.6463E+01 -8.3848E+00 H2 3435 1.008000 0.423800 -1.2359E+01 1.5239E+01 -7.3069E+00 O6 3436 15.999400 -0.847600 1.5181E+01 -1.6837E+01 1.7851E+01 H1 3437 1.008000 0.423800 1.5116E+01 -1.7470E+01 1.7080E+01 H2 3438 1.008000 0.423800 1.5779E+01 -1.6074E+01 1.7607E+01 O6 3439 15.999400 -0.847600 -3.4670E+00 1.2048E+01 1.8873E+01 H1 3440 1.008000 0.423800 -3.4468E+00 1.2877E+01 1.8315E+01 H2 3441 1.008000 0.423800 -4.2687E+00 1.1502E+01 1.8630E+01 O6 3442 15.999400 -0.847600 -1.9057E+01 8.3647E+00 1.4091E+01 H1 3443 1.008000 0.423800 -1.9005E+01 8.7009E+00 1.5031E+01 H2 3444 1.008000 0.423800 -1.8133E+01 8.1974E+00 1.3746E+01 O6 3445 15.999400 -0.847600 -7.7993E+00 4.5100E+00 2.0483E+00 H1 3446 1.008000 0.423800 -7.1718E+00 5.2774E+00 1.9169E+00 H2 3447 1.008000 0.423800 -8.5667E+00 4.5944E+00 1.4126E+00 O6 3448 15.999400 -0.847600 -9.8429E+00 -3.3737E+00 7.8819E+00 H1 3449 1.008000 0.423800 -9.0281E+00 -3.7918E+00 8.2835E+00 H2 3450 1.008000 0.423800 -1.0639E+01 -3.9482E+00 8.0700E+00 O6 3451 15.999400 -0.847600 -7.1636E+00 -7.2365E+00 -5.1970E+00 H1 3452 1.008000 0.423800 -7.3825E+00 -6.9135E+00 -4.2763E+00 H2 3453 1.008000 0.423800 -7.8114E+00 -7.9506E+00 -5.4624E+00 O6 3454 15.999400 -0.847600 6.7517E+00 1.8660E+01 9.7545E+00 H1 3455 1.008000 0.423800 7.0261E+00 1.9165E+01 1.0573E+01 H2 3456 1.008000 0.423800 7.0269E+00 1.7703E+01 9.8453E+00 O6 3457 15.999400 -0.847600 -1.5616E+01 9.4982E+00 -6.9591E+00 H1 3458 1.008000 0.423800 -1.6004E+01 1.0118E+01 -6.2765E+00 H2 3459 1.008000 0.423800 -1.6033E+01 8.5944E+00 -6.8637E+00 O6 3460 15.999400 -0.847600 -1.2528E+01 1.1259E+00 3.9759E+00 H1 3461 1.008000 0.423800 -1.3102E+01 3.3917E-01 3.7496E+00 H2 3462 1.008000 0.423800 -1.1566E+01 8.8129E-01 3.8567E+00 O6 3463 15.999400 -0.847600 1.7521E+01 -3.1461E+00 2.9726E+00 H1 3464 1.008000 0.423800 1.7201E+01 -2.3992E+00 3.5551E+00 H2 3465 1.008000 0.423800 1.6795E+01 -3.8266E+00 2.8733E+00 O6 3466 15.999400 -0.847600 -6.8853E+00 -1.5347E+01 1.7414E+01 H1 3467 1.008000 0.423800 -6.6707E+00 -1.5955E+01 1.6650E+01 H2 3468 1.008000 0.423800 -6.4218E+00 -1.4471E+01 1.7284E+01 O6 3469 15.999400 -0.847600 -1.2587E+01 6.4079E+00 1.7194E+01 H1 3470 1.008000 0.423800 -1.2715E+01 7.3809E+00 1.7387E+01 H2 3471 1.008000 0.423800 -1.1838E+01 6.2928E+00 1.6542E+01 O6 3472 15.999400 -0.847600 -1.2352E+01 4.9105E+00 5.6581E+00 H1 3473 1.008000 0.423800 -1.1469E+01 4.4409E+00 5.6657E+00 H2 3474 1.008000 0.423800 -1.3089E+01 4.2345E+00 5.6444E+00 O6 3475 15.999400 -0.847600 -5.7500E+00 7.6045E+00 1.3609E+01 H1 3476 1.008000 0.423800 -5.0651E+00 7.6216E+00 1.4337E+01 H2 3477 1.008000 0.423800 -5.4947E+00 8.2575E+00 1.2896E+01 O6 3478 15.999400 -0.847600 -9.3694E+00 -6.1491E+00 1.6491E+01 H1 3479 1.008000 0.423800 -8.9428E+00 -7.0138E+00 1.6756E+01 H2 3480 1.008000 0.423800 -1.0103E+01 -5.9280E+00 1.7134E+01 O6 3481 15.999400 -0.847600 2.3589E-01 1.4248E+01 -1.1976E+01 H1 3482 1.008000 0.423800 5.1836E-01 1.4064E+01 -1.1034E+01 H2 3483 1.008000 0.423800 -4.7133E-01 1.3594E+01 -1.2245E+01 O6 3484 15.999400 -0.847600 -9.6667E+00 -7.3663E+00 8.8790E+00 H1 3485 1.008000 0.423800 -9.5266E+00 -7.6581E+00 9.8252E+00 H2 3486 1.008000 0.423800 -1.0225E+01 -6.5367E+00 8.8653E+00 O6 3487 15.999400 -0.847600 -1.0431E+01 -1.6944E+01 5.4894E-01 H1 3488 1.008000 0.423800 -1.1297E+01 -1.6742E+01 1.0063E+00 H2 3489 1.008000 0.423800 -9.7198E+00 -1.7096E+01 1.2349E+00 O6 3490 15.999400 -0.847600 -1.5108E+01 1.5266E+01 3.8557E+00 H1 3491 1.008000 0.423800 -1.4829E+01 1.5588E+01 2.9509E+00 H2 3492 1.008000 0.423800 -1.5476E+01 1.4339E+01 3.7808E+00 O6 3493 15.999400 -0.847600 -1.6706E+00 -1.5487E+01 -4.8393E+00 H1 3494 1.008000 0.423800 -1.5972E+00 -1.6131E+01 -4.0777E+00 H2 3495 1.008000 0.423800 -2.5278E+00 -1.4978E+01 -4.7635E+00 O6 3496 15.999400 -0.847600 -1.6823E+00 7.6353E+00 -1.3632E+01 H1 3497 1.008000 0.423800 -2.0355E+00 6.8383E+00 -1.3142E+01 H2 3498 1.008000 0.423800 -2.4467E+00 8.1909E+00 -1.3960E+01 O6 3499 15.999400 -0.847600 1.8191E+01 1.8256E+01 -1.4610E+01 H1 3500 1.008000 0.423800 1.7763E+01 1.8269E+01 -1.5514E+01 H2 3501 1.008000 0.423800 1.7507E+01 1.8468E+01 -1.3913E+01 O6 3502 15.999400 -0.847600 -8.8301E-01 -4.4552E+00 -1.3403E+01 H1 3503 1.008000 0.423800 -6.1536E-01 -5.2080E+00 -1.2801E+01 H2 3504 1.008000 0.423800 -1.7527E+00 -4.0725E+00 -1.3091E+01 O6 3505 15.999400 -0.847600 9.2531E+00 -1.1551E+01 1.8947E+01 H1 3506 1.008000 0.423800 9.4447E+00 -1.0944E+01 -1.9380E+01 H2 3507 1.008000 0.423800 9.5303E+00 -1.2483E+01 1.9180E+01 O6 3508 15.999400 -0.847600 -1.6531E+01 1.6052E+01 1.7081E+01 H1 3509 1.008000 0.423800 -1.6251E+01 1.5537E+01 1.6270E+01 H2 3510 1.008000 0.423800 -1.6151E+01 1.6975E+01 1.7036E+01 O6 3511 15.999400 -0.847600 -4.4657E+00 -7.5598E+00 3.2555E+00 H1 3512 1.008000 0.423800 -4.0968E+00 -7.1384E+00 4.0840E+00 H2 3513 1.008000 0.423800 -3.7178E+00 -7.7631E+00 2.6237E+00 O6 3514 15.999400 -0.847600 1.5817E+01 2.8842E-01 1.0045E+01 H1 3515 1.008000 0.423800 1.6351E+01 7.2906E-02 1.0862E+01 H2 3516 1.008000 0.423800 1.4958E+01 7.2371E-01 1.0313E+01 O6 3517 15.999400 -0.847600 3.0574E+00 6.2965E+00 -2.6988E+00 H1 3518 1.008000 0.423800 3.8988E+00 6.6583E+00 -2.2973E+00 H2 3519 1.008000 0.423800 2.4735E+00 7.0549E+00 -2.9885E+00 O6 3520 15.999400 -0.847600 -1.7416E+01 8.9374E+00 1.0084E+01 H1 3521 1.008000 0.423800 -1.7123E+01 8.3822E+00 9.3060E+00 H2 3522 1.008000 0.423800 -1.7253E+01 8.4345E+00 1.0933E+01 O6 3523 15.999400 -0.847600 -1.4966E+01 9.8671E+00 1.5073E+01 H1 3524 1.008000 0.423800 -1.4191E+01 1.0495E+01 1.5012E+01 H2 3525 1.008000 0.423800 -1.4707E+01 9.0677E+00 1.5615E+01 O6 3526 15.999400 -0.847600 -1.5567E+01 2.7402E+00 -8.7549E+00 H1 3527 1.008000 0.423800 -1.4793E+01 3.2368E+00 -8.3623E+00 H2 3528 1.008000 0.423800 -1.5520E+01 2.7849E+00 -9.7528E+00 O6 3529 15.999400 -0.847600 3.0200E+00 3.5276E+00 1.5858E+01 H1 3530 1.008000 0.423800 2.3077E+00 3.1698E+00 1.5254E+01 H2 3531 1.008000 0.423800 2.5955E+00 3.9777E+00 1.6644E+01 O6 3532 15.999400 -0.847600 1.6999E+00 -1.5123E+01 1.4779E+00 H1 3533 1.008000 0.423800 2.6122E+00 -1.5208E+01 1.0771E+00 H2 3534 1.008000 0.423800 1.7128E+00 -1.5477E+01 2.4132E+00 O6 3535 15.999400 -0.847600 -6.1989E+00 1.1771E+01 3.6589E+00 H1 3536 1.008000 0.423800 -6.0695E+00 1.1715E+01 2.6689E+00 H2 3537 1.008000 0.423800 -6.6593E+00 1.2629E+01 3.8866E+00 O6 3538 15.999400 -0.847600 -1.1845E+01 -9.2206E+00 -5.7404E+00 H1 3539 1.008000 0.423800 -1.1737E+01 -1.0180E+01 -5.4785E+00 H2 3540 1.008000 0.423800 -1.2499E+01 -9.1531E+00 -6.4939E+00 O6 3541 15.999400 -0.847600 1.6764E+01 1.5707E+01 8.8759E+00 H1 3542 1.008000 0.423800 1.7126E+01 1.4852E+01 9.2483E+00 H2 3543 1.008000 0.423800 1.7376E+01 1.6461E+01 9.1162E+00 O6 3544 15.999400 -0.847600 3.9682E+00 -1.7967E+01 -4.3018E+00 H1 3545 1.008000 0.423800 3.2910E+00 -1.8634E+01 -4.6119E+00 H2 3546 1.008000 0.423800 4.8686E+00 -1.8215E+01 -4.6589E+00 O6 3547 15.999400 -0.847600 1.2380E+01 1.8569E+01 1.9467E+00 H1 3548 1.008000 0.423800 1.1383E+01 1.8556E+01 1.8720E+00 H2 3549 1.008000 0.423800 1.2744E+01 1.9339E+01 1.4224E+00 O6 3550 15.999400 -0.847600 -1.1006E+00 -1.3138E+01 7.0242E+00 H1 3551 1.008000 0.423800 -3.4317E-01 -1.3513E+01 6.4898E+00 H2 3552 1.008000 0.423800 -9.1961E-01 -1.2176E+01 7.2289E+00 O6 3553 15.999400 -0.847600 -3.1031E+00 -6.5168E+00 8.1239E+00 H1 3554 1.008000 0.423800 -3.7472E+00 -7.0753E+00 8.6465E+00 H2 3555 1.008000 0.423800 -2.9173E+00 -5.6692E+00 8.6210E+00 O6 3556 15.999400 -0.847600 -8.2389E+00 -1.9093E+01 1.6164E+01 H1 3557 1.008000 0.423800 -7.6100E+00 1.9262E+01 1.5936E+01 H2 3558 1.008000 0.423800 -8.3010E+00 -1.8459E+01 1.5393E+01 O6 3559 15.999400 -0.847600 1.3367E+01 -5.3610E+00 -1.5975E+01 H1 3560 1.008000 0.423800 1.3484E+01 -4.5023E+00 -1.6474E+01 H2 3561 1.008000 0.423800 1.3397E+01 -5.1818E+00 -1.4992E+01 O6 3562 15.999400 -0.847600 -3.4195E+00 -1.8478E+00 4.6741E-01 H1 3563 1.008000 0.423800 -3.3370E+00 -1.3565E+00 -3.9972E-01 H2 3564 1.008000 0.423800 -4.3786E+00 -2.0803E+00 6.2883E-01 O6 3565 15.999400 -0.847600 -2.3897E+00 1.7214E+01 7.4906E+00 H1 3566 1.008000 0.423800 -1.7664E+00 1.6724E+01 8.1001E+00 H2 3567 1.008000 0.423800 -2.0899E+00 1.7097E+01 6.5437E+00 O6 3568 15.999400 -0.847600 1.7616E+01 1.4788E+00 -1.8616E+01 H1 3569 1.008000 0.423800 1.7576E+01 2.4425E+00 -1.8352E+01 H2 3570 1.008000 0.423800 1.8085E+01 9.5745E-01 -1.7902E+01 O6 3571 15.999400 -0.847600 -1.0845E+01 -4.6323E+00 -7.3614E+00 H1 3572 1.008000 0.423800 -9.9765E+00 -5.0419E+00 -7.6389E+00 H2 3573 1.008000 0.423800 -1.1058E+01 -3.8623E+00 -7.9630E+00 O6 3574 15.999400 -0.847600 -1.1089E+01 3.2528E+00 1.9395E+01 H1 3575 1.008000 0.423800 -1.0938E+01 2.9146E+00 -1.8773E+01 H2 3576 1.008000 0.423800 -1.0635E+01 2.6465E+00 1.8742E+01 O6 3577 15.999400 -0.847600 -1.1223E+01 -8.6460E+00 6.1142E+00 H1 3578 1.008000 0.423800 -1.0881E+01 -9.0564E+00 6.9595E+00 H2 3579 1.008000 0.423800 -1.0517E+01 -8.6979E+00 5.4086E+00 O6 3580 15.999400 -0.847600 -7.8849E+00 7.8790E+00 -1.2727E+00 H1 3581 1.008000 0.423800 -7.2850E+00 7.8464E+00 -4.7322E-01 H2 3582 1.008000 0.423800 -8.3766E+00 7.0122E+00 -1.3559E+00 O6 3583 15.999400 -0.847600 -1.6837E+01 3.5987E+00 -4.7995E+00 H1 3584 1.008000 0.423800 -1.7431E+01 2.8346E+00 -4.5480E+00 H2 3585 1.008000 0.423800 -1.5994E+01 3.5560E+00 -4.2631E+00 O6 3586 15.999400 -0.847600 -5.5763E+00 8.1728E+00 -3.0258E+00 H1 3587 1.008000 0.423800 -5.3946E+00 8.9785E+00 -3.5896E+00 H2 3588 1.008000 0.423800 -6.5167E+00 8.2079E+00 -2.6875E+00 O6 3589 15.999400 -0.847600 6.6325E+00 5.1465E+00 6.8217E+00 H1 3590 1.008000 0.423800 7.0645E+00 6.0419E+00 6.9299E+00 H2 3591 1.008000 0.423800 6.2580E+00 5.0666E+00 5.8979E+00 O6 3592 15.999400 -0.847600 1.1949E+01 -3.3772E+00 -1.0740E+01 H1 3593 1.008000 0.423800 1.1666E+01 -2.8454E+00 -9.9417E+00 H2 3594 1.008000 0.423800 1.2739E+01 -2.9400E+00 -1.1169E+01 O6 3595 15.999400 -0.847600 -1.3596E+01 -6.6836E+00 1.0461E-01 H1 3596 1.008000 0.423800 -1.2684E+01 -6.2770E+00 4.2669E-02 H2 3597 1.008000 0.423800 -1.4282E+01 -5.9576E+00 1.4792E-01 O6 3598 15.999400 -0.847600 -1.2083E+01 -1.9353E+00 -1.2411E+01 H1 3599 1.008000 0.423800 -1.2728E+01 -2.6992E+00 -1.2416E+01 H2 3600 1.008000 0.423800 -1.2415E+01 -1.2225E+00 -1.1793E+01 O6 3601 15.999400 -0.847600 1.5570E+01 -1.9397E+01 -3.2033E+00 H1 3602 1.008000 0.423800 1.5737E+01 1.8830E+01 -2.7413E+00 H2 3603 1.008000 0.423800 1.6390E+01 -1.9123E+01 -3.7048E+00 O6 3604 15.999400 -0.847600 -1.8394E+01 1.5631E+01 -1.2406E+01 H1 3605 1.008000 0.423800 -1.7689E+01 1.4986E+01 -1.2703E+01 H2 3606 1.008000 0.423800 -1.9284E+01 1.5333E+01 -1.2750E+01 O6 3607 15.999400 -0.847600 4.6556E+00 6.6387E+00 2.9517E+00 H1 3608 1.008000 0.423800 4.8138E+00 5.8746E+00 3.5771E+00 H2 3609 1.008000 0.423800 4.6330E+00 6.3003E+00 2.0110E+00 O6 3610 15.999400 -0.847600 -1.7476E+01 1.3885E+01 1.4340E+00 H1 3611 1.008000 0.423800 -1.7354E+01 1.2924E+01 1.6817E+00 H2 3612 1.008000 0.423800 -1.6597E+01 1.4271E+01 1.1532E+00 O6 3613 15.999400 -0.847600 -1.5076E+01 1.1601E+01 5.7598E+00 H1 3614 1.008000 0.423800 -1.5858E+01 1.0995E+01 5.9058E+00 H2 3615 1.008000 0.423800 -1.5088E+01 1.1940E+01 4.8190E+00 O6 3616 15.999400 -0.847600 -6.5632E+00 1.5765E+01 -1.0918E+01 H1 3617 1.008000 0.423800 -5.6976E+00 1.6138E+01 -1.1252E+01 H2 3618 1.008000 0.423800 -6.3839E+00 1.4953E+01 -1.0363E+01 O6 3619 15.999400 -0.847600 -4.2726E+00 1.6762E+01 -1.1871E+01 H1 3620 1.008000 0.423800 -3.3717E+00 1.6774E+01 -1.1437E+01 H2 3621 1.008000 0.423800 -4.1718E+00 1.6548E+01 -1.2843E+01 O6 3622 15.999400 -0.847600 -9.6511E+00 -1.4986E+01 1.6942E+01 H1 3623 1.008000 0.423800 -8.6987E+00 -1.5264E+01 1.6818E+01 H2 3624 1.008000 0.423800 -9.6872E+00 -1.4011E+01 1.7164E+01 O6 3625 15.999400 -0.847600 8.4428E+00 -1.8820E+01 -1.5838E+01 H1 3626 1.008000 0.423800 9.3728E+00 -1.9142E+01 -1.6015E+01 H2 3627 1.008000 0.423800 8.4792E+00 -1.7961E+01 -1.5327E+01 O6 3628 15.999400 -0.847600 -3.6928E+00 -1.2826E+01 -1.8915E+00 H1 3629 1.008000 0.423800 -4.6493E+00 -1.2894E+01 -1.6080E+00 H2 3630 1.008000 0.423800 -3.6136E+00 -1.3069E+01 -2.8583E+00 O6 3631 15.999400 -0.847600 1.8397E+01 -1.0225E+01 5.9546E+00 H1 3632 1.008000 0.423800 1.8172E+01 -9.2507E+00 5.9513E+00 H2 3633 1.008000 0.423800 1.7579E+01 -1.0756E+01 5.7340E+00 O6 3634 15.999400 -0.847600 1.1146E+01 8.9950E+00 9.6416E+00 H1 3635 1.008000 0.423800 1.1599E+01 9.4183E+00 8.8569E+00 H2 3636 1.008000 0.423800 1.0507E+01 9.6472E+00 1.0049E+01 O6 3637 15.999400 -0.847600 2.9058E+00 -1.0736E+01 1.5495E+01 H1 3638 1.008000 0.423800 2.3093E+00 -1.1482E+01 1.5791E+01 H2 3639 1.008000 0.423800 3.3000E+00 -1.0958E+01 1.4604E+01 O6 3640 15.999400 -0.847600 5.2925E+00 4.2430E+00 4.4565E+00 H1 3641 1.008000 0.423800 4.4379E+00 3.7465E+00 4.6089E+00 H2 3642 1.008000 0.423800 5.9407E+00 3.6513E+00 3.9774E+00 O6 3643 15.999400 -0.847600 1.3706E+01 1.1509E+01 -6.1251E+00 H1 3644 1.008000 0.423800 1.2789E+01 1.1633E+01 -5.7448E+00 H2 3645 1.008000 0.423800 1.4382E+01 1.1889E+01 -5.4944E+00 O6 3646 15.999400 -0.847600 1.7514E+00 -1.3298E+01 -1.4081E+01 H1 3647 1.008000 0.423800 1.7586E+00 -1.3298E+01 -1.3081E+01 H2 3648 1.008000 0.423800 1.7342E+00 -1.2356E+01 -1.4414E+01 O6 3649 15.999400 -0.847600 -1.8013E+01 -1.7184E+01 -3.0718E+00 H1 3650 1.008000 0.423800 -1.8591E+01 -1.6603E+01 -3.6440E+00 H2 3651 1.008000 0.423800 -1.7058E+01 -1.6902E+01 -3.1673E+00 O6 3652 15.999400 -0.847600 -8.8301E+00 -1.8553E+01 1.1031E+01 H1 3653 1.008000 0.423800 -8.8203E+00 -1.8629E+01 1.0033E+01 H2 3654 1.008000 0.423800 -9.1233E+00 -1.7633E+01 1.1292E+01 O6 3655 15.999400 -0.847600 -7.7044E+00 -1.4533E+01 9.0455E+00 H1 3656 1.008000 0.423800 -7.6884E+00 -1.3717E+01 8.4676E+00 H2 3657 1.008000 0.423800 -8.6109E+00 -1.4633E+01 9.4554E+00 O6 3658 15.999400 -0.847600 9.8434E+00 1.7242E+01 1.5101E+01 H1 3659 1.008000 0.423800 9.7085E+00 1.8047E+01 1.5678E+01 H2 3660 1.008000 0.423800 1.0718E+01 1.6813E+01 1.5326E+01 O6 3661 15.999400 -0.847600 1.4629E+01 -1.8378E+01 1.5848E+01 H1 3662 1.008000 0.423800 1.4307E+01 -1.9305E+01 1.6045E+01 H2 3663 1.008000 0.423800 1.3873E+01 -1.7834E+01 1.5484E+01 O6 3664 15.999400 -0.847600 -4.3410E+00 7.0536E+00 -1.4306E+01 H1 3665 1.008000 0.423800 -4.4361E+00 7.4795E+00 -1.3406E+01 H2 3666 1.008000 0.423800 -4.4360E+00 6.0621E+00 -1.4217E+01 O6 3667 15.999400 -0.847600 1.8077E+01 -9.4877E+00 1.0859E+01 H1 3668 1.008000 0.423800 1.7955E+01 -9.9621E+00 9.9869E+00 H2 3669 1.008000 0.423800 1.8195E+01 -1.0159E+01 1.1590E+01 O6 3670 15.999400 -0.847600 8.0531E+00 1.5446E+01 1.4065E+01 H1 3671 1.008000 0.423800 8.5732E+00 1.6225E+01 1.4416E+01 H2 3672 1.008000 0.423800 8.5652E+00 1.5010E+01 1.3325E+01 O6 3673 15.999400 -0.847600 7.2658E+00 1.9411E+01 -1.3111E+01 H1 3674 1.008000 0.423800 7.7687E+00 -1.8823E+01 -1.3079E+01 H2 3675 1.008000 0.423800 6.6356E+00 1.9420E+01 -1.3888E+01 O6 3676 15.999400 -0.847600 1.8328E+01 -6.3943E-01 -5.2117E-01 H1 3677 1.008000 0.423800 1.7711E+01 -1.3857E+00 -2.7165E-01 H2 3678 1.008000 0.423800 1.8241E+01 -4.4778E-01 -1.4988E+00 O6 3679 15.999400 -0.847600 1.9508E+01 1.8331E+01 -7.9886E+00 H1 3680 1.008000 0.423800 -1.8942E+01 1.8935E+01 -7.5231E+00 H2 3681 1.008000 0.423800 -1.9128E+01 1.7868E+01 -8.7459E+00 O6 3682 15.999400 -0.847600 -1.8825E+01 -1.1668E+01 3.8834E+00 H1 3683 1.008000 0.423800 1.9346E+01 -1.1517E+01 3.5395E+00 H2 3684 1.008000 0.423800 -1.8190E+01 -1.1728E+01 3.1135E+00 O6 3685 15.999400 -0.847600 -1.1222E+01 1.3052E+00 -2.6288E+00 H1 3686 1.008000 0.423800 -1.1950E+01 1.6922E+00 -2.0633E+00 H2 3687 1.008000 0.423800 -1.0699E+01 6.4367E-01 -2.0914E+00 O6 3688 15.999400 -0.847600 -2.2432E+00 8.3051E+00 -3.9824E+00 H1 3689 1.008000 0.423800 -2.4737E+00 8.6634E+00 -3.0777E+00 H2 3690 1.008000 0.423800 -2.8706E+00 7.5624E+00 -4.2165E+00 O6 3691 15.999400 -0.847600 -1.0288E+01 6.5780E+00 5.1509E-01 H1 3692 1.008000 0.423800 -1.0691E+01 7.4117E+00 8.9267E-01 H2 3693 1.008000 0.423800 -1.0965E+01 5.8427E+00 5.3318E-01 O6 3694 15.999400 -0.847600 7.0449E+00 1.8382E+01 -1.7249E+01 H1 3695 1.008000 0.423800 7.7098E+00 1.7846E+01 -1.7769E+01 H2 3696 1.008000 0.423800 7.5206E+00 1.8914E+01 -1.6548E+01 O6 3697 15.999400 -0.847600 9.5727E+00 -2.7228E+00 1.0177E+01 H1 3698 1.008000 0.423800 9.5537E+00 -2.2588E+00 9.2915E+00 H2 3699 1.008000 0.423800 8.7971E+00 -3.3508E+00 1.0241E+01 O6 3700 15.999400 -0.847600 1.6587E+01 5.4450E+00 5.2864E-01 H1 3701 1.008000 0.423800 1.6636E+01 6.0615E+00 -2.5724E-01 H2 3702 1.008000 0.423800 1.7215E+01 4.6792E+00 3.9156E-01 O6 3703 15.999400 -0.847600 -6.3949E-01 -1.7156E+01 1.3226E+01 H1 3704 1.008000 0.423800 -8.9884E-01 -1.8118E+01 1.3132E+01 H2 3705 1.008000 0.423800 -9.1609E-01 -1.6655E+01 1.2406E+01 O6 3706 15.999400 -0.847600 -1.3303E+01 -1.3357E+01 1.3152E+01 H1 3707 1.008000 0.423800 -1.2863E+01 -1.3508E+01 1.4037E+01 H2 3708 1.008000 0.423800 -1.3989E+01 -1.2634E+01 1.3241E+01 O6 3709 15.999400 -0.847600 -1.3144E+01 1.8646E+01 7.1817E+00 H1 3710 1.008000 0.423800 -1.2413E+01 1.8649E+01 7.8642E+00 H2 3711 1.008000 0.423800 -1.3880E+01 1.8040E+01 7.4844E+00 O6 3712 15.999400 -0.847600 1.4505E+00 -1.7072E+01 -1.7980E+01 H1 3713 1.008000 0.423800 1.8534E+00 -1.7813E+01 -1.7444E+01 H2 3714 1.008000 0.423800 1.2429E+00 -1.6300E+01 -1.7379E+01 O6 3715 15.999400 -0.847600 -1.0942E+01 1.8735E+01 9.0872E+00 H1 3716 1.008000 0.423800 -1.1286E+01 1.8768E+01 1.0026E+01 H2 3717 1.008000 0.423800 -1.0164E+01 1.9356E+01 8.9958E+00 O6 3718 15.999400 -0.847600 3.9601E+00 1.2962E+01 9.8622E+00 H1 3719 1.008000 0.423800 3.0201E+00 1.3162E+01 1.0139E+01 H2 3720 1.008000 0.423800 3.9567E+00 1.2517E+01 8.9671E+00 O6 3721 15.999400 -0.847600 1.3968E+01 -1.4635E+01 -6.2941E+00 H1 3722 1.008000 0.423800 1.4071E+01 -1.4096E+01 -5.4581E+00 H2 3723 1.008000 0.423800 1.3406E+01 -1.4130E+01 -6.9490E+00 O6 3724 15.999400 -0.847600 -3.5617E+00 -1.0468E+01 7.2803E+00 H1 3725 1.008000 0.423800 -2.5715E+00 -1.0415E+01 7.4100E+00 H2 3726 1.008000 0.423800 -3.9688E+00 -9.5705E+00 7.4521E+00 O6 3727 15.999400 -0.847600 -1.1735E+01 -1.5524E+01 -1.5285E+01 H1 3728 1.008000 0.423800 -1.0757E+01 -1.5620E+01 -1.5097E+01 H2 3729 1.008000 0.423800 -1.1893E+01 -1.5595E+01 -1.6270E+01 O6 3730 15.999400 -0.847600 1.1659E+01 2.5921E-01 1.8531E+01 H1 3731 1.008000 0.423800 1.2262E+01 9.9287E-01 1.8844E+01 H2 3732 1.008000 0.423800 1.2180E+01 -3.8260E-01 1.7968E+01 O6 3733 15.999400 -0.847600 -1.4886E+01 -1.3727E+01 -3.3645E+00 H1 3734 1.008000 0.423800 -1.5371E+01 -1.3134E+01 -2.7214E+00 H2 3735 1.008000 0.423800 -1.3902E+01 -1.3660E+01 -3.2014E+00 O6 3736 15.999400 -0.847600 1.2200E+01 1.0418E+01 7.1980E+00 H1 3737 1.008000 0.423800 1.2943E+01 9.7577E+00 7.0854E+00 H2 3738 1.008000 0.423800 1.2565E+01 1.1268E+01 7.5787E+00 O6 3739 15.999400 -0.847600 1.8350E+01 1.9165E+01 8.7109E-02 H1 3740 1.008000 0.423800 1.8491E+01 1.8516E+01 -6.6046E-01 H2 3741 1.008000 0.423800 1.7398E+01 1.9123E+01 3.8959E-01 O6 3742 15.999400 -0.847600 8.2993E+00 -1.2753E+01 5.8173E+00 H1 3743 1.008000 0.423800 8.6282E+00 -1.3642E+01 6.1375E+00 H2 3744 1.008000 0.423800 8.9317E+00 -1.2037E+01 6.1132E+00 O6 3745 15.999400 -0.847600 -1.3339E+01 -6.9568E+00 7.0527E+00 H1 3746 1.008000 0.423800 -1.2651E+01 -6.6514E+00 7.7107E+00 H2 3747 1.008000 0.423800 -1.2892E+01 -7.4543E+00 6.3093E+00 O6 3748 15.999400 -0.847600 6.7723E+00 7.2317E+00 -1.6520E+01 H1 3749 1.008000 0.423800 5.8670E+00 7.2549E+00 -1.6944E+01 H2 3750 1.008000 0.423800 6.7734E+00 7.8113E+00 -1.5705E+01 O6 3751 15.999400 -0.847600 -9.8722E+00 1.4258E+01 7.4722E+00 H1 3752 1.008000 0.423800 -1.0098E+01 1.4595E+01 8.3866E+00 H2 3753 1.008000 0.423800 -8.8916E+00 1.4069E+01 7.4192E+00 O6 3754 15.999400 -0.847600 1.2196E+01 1.3019E-01 1.2941E+01 H1 3755 1.008000 0.423800 1.2501E+01 3.1981E-01 1.3875E+01 H2 3756 1.008000 0.423800 1.1296E+01 5.4029E-01 1.2795E+01 O6 3757 15.999400 -0.847600 -1.5792E+01 -7.8038E+00 1.0290E+01 H1 3758 1.008000 0.423800 -1.6518E+01 -8.4391E+00 1.0552E+01 H2 3759 1.008000 0.423800 -1.5778E+01 -7.7053E+00 9.2948E+00 O6 3760 15.999400 -0.847600 1.4099E+01 1.4630E+01 8.3856E-01 H1 3761 1.008000 0.423800 1.4097E+01 1.3650E+01 1.0360E+00 H2 3762 1.008000 0.423800 1.4928E+01 1.5044E+01 1.2138E+00 O6 3763 15.999400 -0.847600 -8.9962E+00 1.7898E+01 -9.1155E+00 H1 3764 1.008000 0.423800 -8.2257E+00 1.8120E+01 -9.7131E+00 H2 3765 1.008000 0.423800 -9.7986E+00 1.8424E+01 -9.3969E+00 O6 3766 15.999400 -0.847600 6.0924E+00 -3.7582E-02 4.1221E-01 H1 3767 1.008000 0.423800 6.2407E+00 -9.6468E-01 6.7902E-02 H2 3768 1.008000 0.423800 6.3049E+00 -6.8623E-03 1.3889E+00 O6 3769 15.999400 -0.847600 3.4631E+00 9.4207E+00 6.4959E+00 H1 3770 1.008000 0.423800 2.7475E+00 9.6289E+00 5.8291E+00 H2 3771 1.008000 0.423800 3.2415E+00 8.5668E+00 6.9668E+00 O6 3772 15.999400 -0.847600 -1.4603E+01 9.6615E+00 1.9265E+01 H1 3773 1.008000 0.423800 -1.4642E+01 8.7993E+00 -1.9327E+01 H2 3774 1.008000 0.423800 -1.5076E+01 1.0374E+01 -1.9313E+01 O6 3775 15.999400 -0.847600 -1.2612E+01 3.2834E+00 -7.1324E+00 H1 3776 1.008000 0.423800 -1.2460E+01 3.8333E+00 -6.3112E+00 H2 3777 1.008000 0.423800 -1.1940E+01 3.5327E+00 -7.8299E+00 O6 3778 15.999400 -0.847600 6.0164E+00 -1.2108E+01 1.9063E+01 H1 3779 1.008000 0.423800 6.7056E+00 -1.1888E+01 1.8373E+01 H2 3780 1.008000 0.423800 5.3715E+00 -1.1348E+01 1.9144E+01 O6 3781 15.999400 -0.847600 4.1682E+00 -4.0319E+00 2.8952E+00 H1 3782 1.008000 0.423800 4.8740E+00 -3.9784E+00 2.1888E+00 H2 3783 1.008000 0.423800 3.8567E+00 -4.9779E+00 2.9842E+00 O6 3784 15.999400 -0.847600 -8.8926E+00 -8.1680E+00 -1.4863E+00 H1 3785 1.008000 0.423800 -9.5103E+00 -8.1518E+00 -7.0003E-01 H2 3786 1.008000 0.423800 -9.0064E+00 -7.3280E+00 -2.0168E+00 O6 3787 15.999400 -0.847600 -1.7556E+01 1.7036E+01 -1.8643E+00 H1 3788 1.008000 0.423800 -1.6559E+01 1.7046E+01 -1.7971E+00 H2 3789 1.008000 0.423800 -1.7949E+01 1.7479E+01 -1.0581E+00 O6 3790 15.999400 -0.847600 -7.5166E+00 5.6669E+00 1.2613E+01 H1 3791 1.008000 0.423800 -7.5018E+00 5.6418E+00 1.1613E+01 H2 3792 1.008000 0.423800 -6.9412E+00 6.4183E+00 1.2936E+01 O6 3793 15.999400 -0.847600 -1.1152E+01 -5.5347E+00 1.4266E+01 H1 3794 1.008000 0.423800 -1.1581E+01 -4.6382E+00 1.4376E+01 H2 3795 1.008000 0.423800 -1.0689E+01 -5.7894E+00 1.5115E+01 O6 3796 15.999400 -0.847600 -5.8066E+00 8.2665E+00 1.7247E+01 H1 3797 1.008000 0.423800 -5.6232E+00 7.3564E+00 1.6875E+01 H2 3798 1.008000 0.423800 -6.0869E+00 8.1855E+00 1.8203E+01 O6 3799 15.999400 -0.847600 7.2814E+00 -3.9985E+00 1.0411E+01 H1 3800 1.008000 0.423800 7.0115E+00 -4.8241E+00 1.0906E+01 H2 3801 1.008000 0.423800 6.5892E+00 -3.2891E+00 1.0543E+01 O6 3802 15.999400 -0.847600 1.8614E+01 -8.8508E+00 -7.5827E+00 H1 3803 1.008000 0.423800 1.9433E+01 -9.3770E+00 -7.3552E+00 H2 3804 1.008000 0.423800 1.8782E+01 -8.3114E+00 -8.4076E+00 O6 3805 15.999400 -0.847600 -8.5582E+00 -6.1102E-01 -4.5265E+00 H1 3806 1.008000 0.423800 -9.5105E+00 -8.2709E-01 -4.3111E+00 H2 3807 1.008000 0.423800 -8.5085E+00 2.9639E-01 -4.9438E+00 O6 3808 15.999400 -0.847600 -1.3976E+01 -1.4769E+01 -1.3921E+01 H1 3809 1.008000 0.423800 -1.3450E+01 -1.5041E+01 -1.4727E+01 H2 3810 1.008000 0.423800 -1.3662E+01 -1.3874E+01 -1.3605E+01 O6 3811 15.999400 -0.847600 -1.8638E-01 9.9188E+00 -1.2707E+01 H1 3812 1.008000 0.423800 -3.5375E-01 9.1241E+00 -1.3290E+01 H2 3813 1.008000 0.423800 2.6280E-01 9.6243E+00 -1.1863E+01 O6 3814 15.999400 -0.847600 1.8943E+01 -1.4660E+01 1.0411E+01 H1 3815 1.008000 0.423800 1.9297E+01 -1.5409E+01 1.0970E+01 H2 3816 1.008000 0.423800 1.9480E+01 -1.4589E+01 9.5702E+00 O6 3817 15.999400 -0.847600 -1.2495E+01 -1.7598E+01 6.6550E+00 H1 3818 1.008000 0.423800 -1.2635E+01 -1.8575E+01 6.8164E+00 H2 3819 1.008000 0.423800 -1.3022E+01 -1.7071E+01 7.3217E+00 O6 3820 15.999400 -0.847600 -1.4441E+01 -1.1019E+01 8.6863E+00 H1 3821 1.008000 0.423800 -1.4738E+01 -1.0166E+01 8.2562E+00 H2 3822 1.008000 0.423800 -1.5239E+01 -1.1588E+01 8.8840E+00 O6 3823 15.999400 -0.847600 1.5612E+01 -1.3728E+00 1.8348E+01 H1 3824 1.008000 0.423800 1.6081E+01 -1.2852E+00 1.7468E+01 H2 3825 1.008000 0.423800 1.6152E+01 -1.9553E+00 1.8956E+01 O6 3826 15.999400 -0.847600 8.7563E+00 -1.4314E+01 1.3135E+01 H1 3827 1.008000 0.423800 9.6735E+00 -1.4697E+01 1.3023E+01 H2 3828 1.008000 0.423800 8.0813E+00 -1.5051E+01 1.3099E+01 O6 3829 15.999400 -0.847600 6.6487E+00 -1.7232E+00 1.3620E+01 H1 3830 1.008000 0.423800 6.1128E+00 -2.0255E+00 1.2832E+01 H2 3831 1.008000 0.423800 7.6048E+00 -1.6104E+00 1.3350E+01 O6 3832 15.999400 -0.847600 -1.2562E+01 1.5665E+00 9.6681E+00 H1 3833 1.008000 0.423800 -1.2595E+01 1.0450E+00 1.0521E+01 H2 3834 1.008000 0.423800 -1.3233E+01 2.3068E+00 9.7042E+00 O6 3835 15.999400 -0.847600 1.2215E+00 8.3180E+00 -3.6227E+00 H1 3836 1.008000 0.423800 1.6953E+00 8.7525E+00 -4.3888E+00 H2 3837 1.008000 0.423800 9.9157E-01 9.0094E+00 -2.9378E+00 O6 3838 15.999400 -0.847600 -1.8078E+01 1.9464E+01 -1.7823E+01 H1 3839 1.008000 0.423800 -1.8299E+01 1.8943E+01 -1.6999E+01 H2 3840 1.008000 0.423800 -1.8409E+01 1.8972E+01 -1.8628E+01 O6 3841 15.999400 -0.847600 -9.8242E+00 9.1647E+00 1.0512E+01 H1 3842 1.008000 0.423800 -9.0415E+00 8.8936E+00 1.1072E+01 H2 3843 1.008000 0.423800 -9.9160E+00 8.5350E+00 9.7403E+00 O6 3844 15.999400 -0.847600 -5.5256E+00 9.8842E+00 -1.6477E+01 H1 3845 1.008000 0.423800 -4.8336E+00 9.2667E+00 -1.6851E+01 H2 3846 1.008000 0.423800 -6.3610E+00 9.3701E+00 -1.6283E+01 O6 3847 15.999400 -0.847600 1.2973E+01 -1.2103E+01 -4.3539E-01 H1 3848 1.008000 0.423800 1.2888E+01 -1.1316E+01 -1.0463E+00 H2 3849 1.008000 0.423800 1.3726E+01 -1.2684E+01 -7.4313E-01 O6 3850 15.999400 -0.847600 3.1809E+00 7.1329E+00 -1.0605E+01 H1 3851 1.008000 0.423800 2.5100E+00 6.5752E+00 -1.1094E+01 H2 3852 1.008000 0.423800 4.0749E+00 7.0389E+00 -1.1043E+01 O6 3853 15.999400 -0.847600 -9.6919E+00 -1.0215E+01 8.5903E+00 H1 3854 1.008000 0.423800 -9.4885E+00 -9.2487E+00 8.7475E+00 H2 3855 1.008000 0.423800 -1.0504E+01 -1.0474E+01 9.1128E+00 O6 3856 15.999400 -0.847600 -1.0506E+01 -1.0299E+00 4.3340E+00 H1 3857 1.008000 0.423800 -1.0606E+01 -1.3050E+00 3.3777E+00 H2 3858 1.008000 0.423800 -1.1075E+01 -1.6164E+00 4.9105E+00 O6 3859 15.999400 -0.847600 3.4161E+00 2.7102E-02 1.7223E+01 H1 3860 1.008000 0.423800 3.9188E+00 -8.3664E-01 1.7259E+01 H2 3861 1.008000 0.423800 4.0325E+00 7.5991E-01 1.6935E+01 O6 3862 15.999400 -0.847600 1.7976E+01 -1.3675E+01 -1.8425E+01 H1 3863 1.008000 0.423800 1.7967E+01 -1.2679E+01 -1.8331E+01 H2 3864 1.008000 0.423800 1.7038E+01 -1.4021E+01 -1.8402E+01 O6 3865 15.999400 -0.847600 -6.3046E+00 -7.0404E+00 -1.5581E+01 H1 3866 1.008000 0.423800 -5.8574E+00 -7.4398E+00 -1.6381E+01 H2 3867 1.008000 0.423800 -7.2616E+00 -7.3292E+00 -1.5555E+01 O6 3868 15.999400 -0.847600 1.1401E+01 1.4182E+01 -1.3247E+01 H1 3869 1.008000 0.423800 1.0953E+01 1.4733E+01 -1.3951E+01 H2 3870 1.008000 0.423800 1.2379E+01 1.4389E+01 -1.3234E+01 O6 3871 15.999400 -0.847600 1.4974E+01 -5.9452E+00 -4.0562E+00 H1 3872 1.008000 0.423800 1.4118E+01 -5.6856E+00 -3.6086E+00 H2 3873 1.008000 0.423800 1.5739E+01 -5.4880E+00 -3.6028E+00 O6 3874 15.999400 -0.847600 8.6084E+00 -6.2000E+00 -8.3710E+00 H1 3875 1.008000 0.423800 8.9221E+00 -6.5443E+00 -7.4861E+00 H2 3876 1.008000 0.423800 9.3847E+00 -5.8230E+00 -8.8762E+00 O6 3877 15.999400 -0.847600 2.7405E+00 9.3700E+00 -7.0397E-01 H1 3878 1.008000 0.423800 3.5823E+00 9.2500E+00 -1.7754E-01 H2 3879 1.008000 0.423800 2.0570E+00 8.7088E+00 -3.9469E-01 O6 3880 15.999400 -0.847600 -8.6933E+00 7.1146E+00 -7.3482E+00 H1 3881 1.008000 0.423800 -8.7350E+00 7.4550E+00 -6.4088E+00 H2 3882 1.008000 0.423800 -7.8707E+00 6.5581E+00 -7.4647E+00 O6 3883 15.999400 -0.847600 -2.3522E+00 9.4110E+00 -1.3766E+00 H1 3884 1.008000 0.423800 -1.8734E+00 1.0246E+01 -1.6484E+00 H2 3885 1.008000 0.423800 -2.4033E+00 9.3660E+00 -3.7896E-01 O6 3886 15.999400 -0.847600 1.1237E+01 1.9251E+01 -1.6101E+01 H1 3887 1.008000 0.423800 1.1171E+01 1.8342E+01 -1.6513E+01 H2 3888 1.008000 0.423800 1.1591E+01 -1.9200E+01 -1.6776E+01 O6 3889 15.999400 -0.847600 -1.4190E+01 1.6395E+01 -1.3670E+01 H1 3890 1.008000 0.423800 -1.3532E+01 1.6518E+01 -1.2927E+01 H2 3891 1.008000 0.423800 -1.3705E+01 1.6126E+01 -1.4502E+01 O6 3892 15.999400 -0.847600 1.7766E+01 -1.1079E+01 1.4988E+01 H1 3893 1.008000 0.423800 1.6857E+01 -1.0946E+01 1.5383E+01 H2 3894 1.008000 0.423800 1.8298E+01 -1.1691E+01 1.5573E+01 O6 3895 15.999400 -0.847600 1.6237E+01 7.1233E+00 -1.2378E+01 H1 3896 1.008000 0.423800 1.5452E+01 7.1519E+00 -1.1759E+01 H2 3897 1.008000 0.423800 1.5981E+01 7.5197E+00 -1.3260E+01 O6 3898 15.999400 -0.847600 1.0565E+01 7.2635E-01 -8.8438E+00 H1 3899 1.008000 0.423800 9.7795E+00 1.1154E-01 -8.9114E+00 H2 3900 1.008000 0.423800 1.0586E+01 1.3292E+00 -9.6414E+00 O6 3901 15.999400 -0.847600 6.2258E+00 -5.2046E+00 -2.4790E+00 H1 3902 1.008000 0.423800 5.2502E+00 -5.1430E+00 -2.6896E+00 H2 3903 1.008000 0.423800 6.7554E+00 -5.1065E+00 -3.3216E+00 O6 3904 15.999400 -0.847600 -3.5625E+00 3.5958E+00 1.2789E+01 H1 3905 1.008000 0.423800 -4.0151E+00 2.7966E+00 1.2394E+01 H2 3906 1.008000 0.423800 -3.5985E+00 4.3550E+00 1.2140E+01 O6 3907 15.999400 -0.847600 7.8741E+00 1.0029E+01 2.5865E+00 H1 3908 1.008000 0.423800 7.6396E+00 1.0991E+01 2.4477E+00 H2 3909 1.008000 0.423800 7.2675E+00 9.6346E+00 3.2765E+00 O6 3910 15.999400 -0.847600 7.2939E+00 3.0403E+00 3.4138E+00 H1 3911 1.008000 0.423800 7.4376E+00 3.5417E+00 2.5606E+00 H2 3912 1.008000 0.423800 8.1393E+00 2.5727E+00 3.6719E+00 O6 3913 15.999400 -0.847600 -9.1738E+00 -1.5566E+01 -1.2393E+01 H1 3914 1.008000 0.423800 -8.8950E+00 -1.6522E+01 -1.2298E+01 H2 3915 1.008000 0.423800 -8.3881E+00 -1.4971E+01 -1.2223E+01 O6 3916 15.999400 -0.847600 1.5704E+00 1.7706E+00 2.5657E+00 H1 3917 1.008000 0.423800 1.8850E+00 1.2784E+00 1.7540E+00 H2 3918 1.008000 0.423800 7.9767E-01 2.3564E+00 2.3216E+00 O6 3919 15.999400 -0.847600 -8.2435E+00 -1.1154E+01 -1.5383E+01 H1 3920 1.008000 0.423800 -7.3892E+00 -1.0657E+01 -1.5231E+01 H2 3921 1.008000 0.423800 -8.2893E+00 -1.1453E+01 -1.6336E+01 O6 3922 15.999400 -0.847600 -1.2911E+01 4.9422E-01 7.1731E-01 H1 3923 1.008000 0.423800 -1.2070E+01 6.9634E-01 1.2185E+00 H2 3924 1.008000 0.423800 -1.3701E+01 6.7608E-01 1.3039E+00 O6 3925 15.999400 -0.847600 -1.7356E+00 -1.5770E+01 1.1026E+01 H1 3926 1.008000 0.423800 -1.4127E+00 -1.4875E+01 1.0717E+01 H2 3927 1.008000 0.423800 -2.2332E+00 -1.6219E+01 1.0284E+01 O6 3928 15.999400 -0.847600 -1.8074E+01 1.7525E+01 -1.0504E+01 H1 3929 1.008000 0.423800 -1.7323E+01 1.8093E+01 -1.0843E+01 H2 3930 1.008000 0.423800 -1.8461E+01 1.6999E+01 -1.1261E+01 O6 3931 15.999400 -0.847600 7.0532E+00 9.2057E+00 -4.0940E+00 H1 3932 1.008000 0.423800 6.7692E+00 8.3695E+00 -4.5633E+00 H2 3933 1.008000 0.423800 7.7955E+00 9.6389E+00 -4.6051E+00 O6 3934 15.999400 -0.847600 -1.2880E+01 7.1543E+00 3.5363E+00 H1 3935 1.008000 0.423800 -1.3840E+01 6.8743E+00 3.5677E+00 H2 3936 1.008000 0.423800 -1.2675E+01 7.7318E+00 4.3266E+00 O6 3937 15.999400 -0.847600 -3.1823E+00 3.9639E+00 1.5614E+01 H1 3938 1.008000 0.423800 -3.2583E+00 3.7808E+00 1.4634E+01 H2 3939 1.008000 0.423800 -2.2522E+00 4.2641E+00 1.5826E+01 O6 3940 15.999400 -0.847600 -1.1726E+01 -1.1696E+01 -4.4204E+00 H1 3941 1.008000 0.423800 -1.2661E+01 -1.1912E+01 -4.1407E+00 H2 3942 1.008000 0.423800 -1.1346E+01 -1.2464E+01 -4.9352E+00 O6 3943 15.999400 -0.847600 -1.1926E+01 1.8289E+01 1.1496E+01 H1 3944 1.008000 0.423800 -1.1309E+01 1.8364E+01 1.2279E+01 H2 3945 1.008000 0.423800 -1.2689E+01 1.7686E+01 1.1729E+01 O6 3946 15.999400 -0.847600 -1.9446E+01 1.4290E+01 3.4465E+00 H1 3947 1.008000 0.423800 1.9121E+01 1.3553E+01 3.8661E+00 H2 3948 1.008000 0.423800 -1.8761E+01 1.3899E+01 2.8319E+00 O6 3949 15.999400 -0.847600 7.3733E+00 1.5873E+01 1.0755E+01 H1 3950 1.008000 0.423800 7.1718E+00 1.4904E+01 1.0898E+01 H2 3951 1.008000 0.423800 8.3356E+00 1.6047E+01 1.0964E+01 O6 3952 15.999400 -0.847600 -8.9211E+00 -1.1147E+01 3.4433E+00 H1 3953 1.008000 0.423800 -8.1314E+00 -1.0537E+01 3.3785E+00 H2 3954 1.008000 0.423800 -8.6201E+00 -1.2094E+01 3.3348E+00 O6 3955 15.999400 -0.847600 -1.5859E+01 -1.4680E+01 6.3222E+00 H1 3956 1.008000 0.423800 -1.6622E+01 -1.4036E+01 6.2742E+00 H2 3957 1.008000 0.423800 -1.6109E+01 -1.5529E+01 5.8560E+00 O6 3958 15.999400 -0.847600 1.4549E+01 7.9637E+00 6.2097E+00 H1 3959 1.008000 0.423800 1.3996E+01 8.4581E+00 5.5398E+00 H2 3960 1.008000 0.423800 1.5270E+01 7.4569E+00 5.7372E+00 O6 3961 15.999400 -0.847600 8.6627E+00 -1.4449E+01 -8.0532E+00 H1 3962 1.008000 0.423800 8.0455E+00 -1.4346E+01 -7.2732E+00 H2 3963 1.008000 0.423800 9.1392E+00 -1.5326E+01 -7.9873E+00 O6 3964 15.999400 -0.847600 -9.1881E+00 6.8643E+00 -1.2045E+01 H1 3965 1.008000 0.423800 -9.2297E+00 5.9480E+00 -1.2444E+01 H2 3966 1.008000 0.423800 -9.2590E+00 7.5474E+00 -1.2772E+01 O6 3967 15.999400 -0.847600 1.4503E+01 -1.9123E+01 -1.6596E+01 H1 3968 1.008000 0.423800 1.4469E+01 -1.8470E+01 -1.5839E+01 H2 3969 1.008000 0.423800 1.3729E+01 -1.8964E+01 -1.7209E+01 O6 3970 15.999400 -0.847600 -3.0447E+00 -1.2563E+01 -1.0679E+01 H1 3971 1.008000 0.423800 -2.5775E+00 -1.2526E+01 -1.1563E+01 H2 3972 1.008000 0.423800 -2.4314E+00 -1.2229E+01 -9.9638E+00 O6 3973 15.999400 -0.847600 1.4103E+01 1.5107E+01 -1.3022E+01 H1 3974 1.008000 0.423800 1.4249E+01 1.6083E+01 -1.3184E+01 H2 3975 1.008000 0.423800 1.4272E+01 1.4900E+01 -1.2058E+01 O6 3976 15.999400 -0.847600 -5.1303E+00 1.2264E+01 -1.4960E+01 H1 3977 1.008000 0.423800 -5.3551E+00 1.1406E+01 -1.5422E+01 H2 3978 1.008000 0.423800 -5.1845E+00 1.3018E+01 -1.5613E+01 O6 3979 15.999400 -0.847600 3.0464E+00 1.8806E+01 1.1882E+01 H1 3980 1.008000 0.423800 2.1971E+00 1.9088E+01 1.1435E+01 H2 3981 1.008000 0.423800 3.8178E+00 1.9286E+01 1.1463E+01 O6 3982 15.999400 -0.847600 2.4559E+00 6.7805E+00 -7.2341E+00 H1 3983 1.008000 0.423800 1.8509E+00 6.1097E+00 -6.8051E+00 H2 3984 1.008000 0.423800 2.5411E+00 6.5767E+00 -8.2094E+00 O6 3985 15.999400 -0.847600 1.0845E+01 -1.4890E+01 -1.0421E+01 H1 3986 1.008000 0.423800 1.0562E+01 -1.5826E+01 -1.0212E+01 H2 3987 1.008000 0.423800 1.0044E+01 -1.4290E+01 -1.0415E+01 O6 3988 15.999400 -0.847600 -1.4443E+01 3.9802E+00 -3.1210E+00 H1 3989 1.008000 0.423800 -1.4125E+01 3.5854E+00 -2.2591E+00 H2 3990 1.008000 0.423800 -1.3665E+01 4.1121E+00 -3.7346E+00 O6 3991 15.999400 -0.847600 -1.6034E+01 -1.0956E+01 -1.2677E+01 H1 3992 1.008000 0.423800 -1.6347E+01 -1.1892E+01 -1.2517E+01 H2 3993 1.008000 0.423800 -1.5336E+01 -1.0718E+01 -1.2001E+01 O6 3994 15.999400 -0.847600 5.2861E+00 2.9669E+00 8.4071E-01 H1 3995 1.008000 0.423800 6.0979E+00 3.5380E+00 7.1946E-01 H2 3996 1.008000 0.423800 5.4902E+00 2.0317E+00 5.5126E-01 O6 3997 15.999400 -0.847600 1.2974E+01 1.2979E+00 -2.6145E-01 H1 3998 1.008000 0.423800 1.2991E+01 2.1142E+00 3.1603E-01 H2 3999 1.008000 0.423800 1.3806E+01 1.2635E+00 -8.1433E-01 O6 4000 15.999400 -0.847600 1.3248E+01 5.2273E+00 8.6545E+00 H1 4001 1.008000 0.423800 1.2943E+01 4.6507E+00 9.4126E+00 H2 4002 1.008000 0.423800 1.3704E+01 4.6614E+00 7.9681E+00 O6 4003 15.999400 -0.847600 7.6634E+00 -1.8895E+00 -1.8821E+01 H1 4004 1.008000 0.423800 7.9087E+00 -1.0379E+00 -1.8358E+01 H2 4005 1.008000 0.423800 7.1649E+00 -2.4817E+00 -1.8188E+01 O6 4006 15.999400 -0.847600 -7.4662E+00 1.4079E+01 4.6673E+00 H1 4007 1.008000 0.423800 -7.7575E+00 1.4817E+01 4.0596E+00 H2 4008 1.008000 0.423800 -7.2033E+00 1.4460E+01 5.5535E+00 O6 4009 15.999400 -0.847600 -5.3397E+00 -4.8337E+00 9.6533E+00 H1 4010 1.008000 0.423800 -5.4541E+00 -5.8102E+00 9.8362E+00 H2 4011 1.008000 0.423800 -4.5906E+00 -4.4758E+00 1.0211E+01 O6 4012 15.999400 -0.847600 -1.4049E+01 -3.4921E+00 -1.6344E+01 H1 4013 1.008000 0.423800 -1.4790E+01 -2.8701E+00 -1.6595E+01 H2 4014 1.008000 0.423800 -1.3390E+01 -3.5450E+00 -1.7094E+01 O6 4015 15.999400 -0.847600 -1.0307E+01 1.9442E+01 1.3599E+01 H1 4016 1.008000 0.423800 -1.0528E+01 -1.9379E+01 1.4535E+01 H2 4017 1.008000 0.423800 -9.6960E+00 -1.8981E+01 1.3187E+01 O6 4018 15.999400 -0.847600 6.2188E+00 8.4625E-01 -8.7242E+00 H1 4019 1.008000 0.423800 7.1621E+00 6.9567E-01 -9.0202E+00 H2 4020 1.008000 0.423800 6.1986E+00 1.5633E+00 -8.0275E+00 O6 4021 15.999400 -0.847600 1.2002E+01 -1.7105E+01 -6.3323E+00 H1 4022 1.008000 0.423800 1.2604E+01 -1.6440E+01 -6.7745E+00 H2 4023 1.008000 0.423800 1.2528E+01 -1.7647E+01 -5.6772E+00 O6 4024 15.999400 -0.847600 1.2849E+01 -1.6508E+01 -1.3347E+00 H1 4025 1.008000 0.423800 1.2959E+01 -1.7418E+01 -1.7348E+00 H2 4026 1.008000 0.423800 1.3734E+01 -1.6181E+01 -1.0036E+00 O6 4027 15.999400 -0.847600 -1.5703E+01 -1.0883E+01 -1.8747E+01 H1 4028 1.008000 0.423800 -1.5128E+01 -1.1572E+01 -1.8304E+01 H2 4029 1.008000 0.423800 -1.5981E+01 -1.0198E+01 -1.8073E+01 O6 4030 15.999400 -0.847600 1.9248E+01 -1.1161E+01 -1.4565E+01 H1 4031 1.008000 0.423800 -1.9190E+01 -1.0839E+01 -1.3886E+01 H2 4032 1.008000 0.423800 1.8999E+01 -1.2108E+01 -1.4363E+01 O6 4033 15.999400 -0.847600 -1.6678E+01 2.3289E+00 3.3928E-01 H1 4034 1.008000 0.423800 -1.6568E+01 3.1717E+00 -1.8769E-01 H2 4035 1.008000 0.423800 -1.5969E+01 2.2812E+00 1.0429E+00 O6 4036 15.999400 -0.847600 1.9225E+01 -4.2812E+00 -4.4583E+00 H1 4037 1.008000 0.423800 1.8803E+01 -5.1646E+00 -4.2549E+00 H2 4038 1.008000 0.423800 1.8841E+01 -3.9156E+00 -5.3062E+00 O6 4039 15.999400 -0.847600 7.2200E-02 -8.9640E+00 1.0375E+01 H1 4040 1.008000 0.423800 9.8266E-01 -9.2972E+00 1.0620E+01 H2 4041 1.008000 0.423800 -6.5619E-02 -8.0535E+00 1.0765E+01 O6 4042 15.999400 -0.847600 7.1353E+00 -5.9833E+00 2.3816E+00 H1 4043 1.008000 0.423800 7.3843E+00 -6.8839E+00 2.0252E+00 H2 4044 1.008000 0.423800 6.7272E+00 -5.4367E+00 1.6504E+00 O6 4045 15.999400 -0.847600 -1.3440E+01 7.0164E+00 -1.4173E+01 H1 4046 1.008000 0.423800 -1.4069E+01 7.1852E+00 -1.4933E+01 H2 4047 1.008000 0.423800 -1.2942E+01 6.1651E+00 -1.4336E+01 O6 4048 15.999400 -0.847600 1.5349E+01 1.3533E+01 -1.4941E+01 H1 4049 1.008000 0.423800 1.4793E+01 1.4146E+01 -1.4380E+01 H2 4050 1.008000 0.423800 1.5739E+01 1.2815E+01 -1.4365E+01 O6 4051 15.999400 -0.847600 -1.7107E+01 -3.6957E+00 1.5253E+01 H1 4052 1.008000 0.423800 -1.7568E+01 -2.8647E+00 1.4942E+01 H2 4053 1.008000 0.423800 -1.7735E+01 -4.4708E+00 1.5186E+01 O6 4054 15.999400 -0.847600 1.2465E+00 1.3706E+01 8.1933E+00 H1 4055 1.008000 0.423800 1.4622E+00 1.3872E+01 9.1556E+00 H2 4056 1.008000 0.423800 6.5156E-01 1.2905E+01 8.1185E+00 O6 4057 15.999400 -0.847600 -1.0016E+01 -7.0540E-01 -7.7196E+00 H1 4058 1.008000 0.423800 -1.0893E+01 -4.8453E-01 -7.2927E+00 H2 4059 1.008000 0.423800 -1.0156E+01 -8.9245E-01 -8.6918E+00 O6 4060 15.999400 -0.847600 1.2429E+01 -1.8431E+01 -1.8342E+01 H1 4061 1.008000 0.423800 1.1675E+01 -1.7775E+01 -1.8336E+01 H2 4062 1.008000 0.423800 1.2264E+01 -1.9123E+01 -1.9044E+01 O6 4063 15.999400 -0.847600 -2.6944E+00 1.4126E+01 -2.5059E+00 H1 4064 1.008000 0.423800 -2.2841E+00 1.4722E+01 -3.1964E+00 H2 4065 1.008000 0.423800 -3.0005E+00 1.4677E+01 -1.7296E+00 O6 4066 15.999400 -0.847600 9.1133E+00 1.0877E+01 1.0019E+01 H1 4067 1.008000 0.423800 9.3761E+00 1.1808E+01 9.7655E+00 H2 4068 1.008000 0.423800 8.4040E+00 1.0550E+01 9.3945E+00 O6 4069 15.999400 -0.847600 -1.5288E+01 1.4485E+01 -1.6880E+01 H1 4070 1.008000 0.423800 -1.6173E+01 1.4900E+01 -1.6668E+01 H2 4071 1.008000 0.423800 -1.5320E+01 1.3507E+01 -1.6673E+01 O6 4072 15.999400 -0.847600 1.4571E+00 -1.9444E+01 -1.4270E+01 H1 4073 1.008000 0.423800 1.9451E+00 -1.9055E+01 -1.5051E+01 H2 4074 1.008000 0.423800 1.3170E+00 1.8674E+01 -1.4418E+01 O6 4075 15.999400 -0.847600 -1.2390E+01 3.1268E+00 -1.1183E+01 H1 4076 1.008000 0.423800 -1.2258E+01 3.6636E+00 -1.0349E+01 H2 4077 1.008000 0.423800 -1.1500E+01 2.8471E+00 -1.1543E+01 O6 4078 15.999400 -0.847600 4.2733E+00 -2.7503E+00 1.6933E+01 H1 4079 1.008000 0.423800 4.1153E+00 -3.5041E+00 1.6295E+01 H2 4080 1.008000 0.423800 5.2284E+00 -2.7591E+00 1.7229E+01 O6 4081 15.999400 -0.847600 -2.2979E+00 1.4139E+01 1.5458E+01 H1 4082 1.008000 0.423800 -2.5306E+00 1.3176E+01 1.5593E+01 H2 4083 1.008000 0.423800 -2.5485E+00 1.4416E+01 1.4530E+01 O6 4084 15.999400 -0.847600 1.0249E+01 4.5161E+00 1.5884E+00 H1 4085 1.008000 0.423800 9.7192E+00 4.8486E+00 2.3687E+00 H2 4086 1.008000 0.423800 1.0549E+01 5.2924E+00 1.0338E+00 O6 4087 15.999400 -0.847600 1.5774E+01 1.1091E+01 8.8835E+00 H1 4088 1.008000 0.423800 1.6482E+01 1.0565E+01 8.4121E+00 H2 4089 1.008000 0.423800 1.5294E+01 1.0499E+01 9.5303E+00 O6 4090 15.999400 -0.847600 -1.1902E+01 -9.9036E+00 -1.8048E+00 H1 4091 1.008000 0.423800 -1.2059E+01 -1.0503E+01 -2.5894E+00 H2 4092 1.008000 0.423800 -1.2407E+01 -9.0498E+00 -1.9319E+00 O6 4093 15.999400 -0.847600 -4.8937E+00 -1.1700E+01 1.4377E+01 H1 4094 1.008000 0.423800 -4.2668E+00 -1.1510E+01 1.5132E+01 H2 4095 1.008000 0.423800 -5.0126E+00 -1.0875E+01 1.3826E+01 O6 4096 15.999400 -0.847600 -6.7036E+00 1.3838E+00 1.5707E+01 H1 4097 1.008000 0.423800 -6.7364E+00 2.3689E+00 1.5538E+01 H2 4098 1.008000 0.423800 -6.1069E+00 9.4964E-01 1.5032E+01 O6 4099 15.999400 -0.847600 1.5006E+01 8.1806E-01 -2.6851E+00 H1 4100 1.008000 0.423800 1.4703E+01 1.5440E+00 -3.3025E+00 H2 4101 1.008000 0.423800 1.4808E+01 -7.2280E-02 -3.0951E+00 O6 4102 15.999400 -0.847600 4.1175E+00 -9.1369E+00 1.7182E+01 H1 4103 1.008000 0.423800 4.0782E+00 -9.5626E+00 1.8086E+01 H2 4104 1.008000 0.423800 3.6051E+00 -9.6941E+00 1.6528E+01 O6 4105 15.999400 -0.847600 1.4797E+01 -6.5441E+00 8.5543E+00 H1 4106 1.008000 0.423800 1.5377E+01 -7.3551E+00 8.4763E+00 H2 4107 1.008000 0.423800 1.4996E+01 -5.9184E+00 7.8001E+00 O6 4108 15.999400 -0.847600 -1.8666E+01 5.5622E+00 1.0165E+01 H1 4109 1.008000 0.423800 -1.9467E+01 6.0088E+00 1.0563E+01 H2 4110 1.008000 0.423800 -1.8864E+01 4.5938E+00 1.0014E+01 O6 4111 15.999400 -0.847600 -1.6501E+01 -7.7490E+00 1.3775E+01 H1 4112 1.008000 0.423800 -1.6556E+01 -8.0106E+00 1.4739E+01 H2 4113 1.008000 0.423800 -1.5633E+01 -7.2834E+00 1.3604E+01 O6 4114 15.999400 -0.847600 -7.3430E+00 1.1353E+00 -1.8202E+01 H1 4115 1.008000 0.423800 -6.4651E+00 1.6115E+00 -1.8152E+01 H2 4116 1.008000 0.423800 -7.1846E+00 1.4954E-01 -1.8259E+01 O6 4117 15.999400 -0.847600 -5.1023E+00 8.5086E+00 8.4656E+00 H1 4118 1.008000 0.423800 -5.7611E+00 9.2419E+00 8.2977E+00 H2 4119 1.008000 0.423800 -4.2016E+00 8.7869E+00 8.1318E+00 O6 4120 15.999400 -0.847600 8.4812E+00 3.0498E+00 -1.5045E+01 H1 4121 1.008000 0.423800 9.3992E+00 3.1554E+00 -1.5428E+01 H2 4122 1.008000 0.423800 7.8129E+00 3.4624E+00 -1.5664E+01 O6 4123 15.999400 -0.847600 9.7075E+00 -8.0463E-01 1.6726E+01 H1 4124 1.008000 0.423800 8.7959E+00 -9.4891E-01 1.7111E+01 H2 4125 1.008000 0.423800 1.0233E+01 -2.0511E-01 1.7330E+01 O6 4126 15.999400 -0.847600 1.7464E+01 4.6546E+00 1.3625E+01 H1 4127 1.008000 0.423800 1.7931E+01 4.8382E+00 1.2759E+01 H2 4128 1.008000 0.423800 1.6782E+01 3.9362E+00 1.3489E+01 O6 4129 15.999400 -0.847600 -1.1211E+00 1.5596E+01 9.3381E+00 H1 4130 1.008000 0.423800 -9.8134E-01 1.5452E+01 1.0318E+01 H2 4131 1.008000 0.423800 -2.4039E-01 1.5770E+01 8.8977E+00 O6 4132 15.999400 -0.847600 1.3219E+01 1.4119E+01 -4.4077E+00 H1 4133 1.008000 0.423800 1.3023E+01 1.3756E+01 -3.4963E+00 H2 4134 1.008000 0.423800 1.4048E+01 1.4676E+01 -4.3735E+00 O6 4135 15.999400 -0.847600 5.2162E-01 -1.3519E+01 -5.3863E+00 H1 4136 1.008000 0.423800 5.9703E-02 -1.4404E+01 -5.3301E+00 H2 4137 1.008000 0.423800 1.0184E+00 -1.3457E+01 -6.2519E+00 O6 4138 15.999400 -0.847600 1.5197E+01 9.1625E+00 1.1012E+01 H1 4139 1.008000 0.423800 1.6158E+01 8.9488E+00 1.1190E+01 H2 4140 1.008000 0.423800 1.4856E+01 8.5773E+00 1.0277E+01 O6 4141 15.999400 -0.847600 -2.5317E+00 5.4837E+00 -1.1717E+01 H1 4142 1.008000 0.423800 -2.0573E+00 5.5658E+00 -1.0841E+01 H2 4143 1.008000 0.423800 -2.1963E+00 4.6767E+00 -1.2203E+01 O6 4144 15.999400 -0.847600 -7.7695E+00 -3.8157E+00 9.7813E+00 H1 4145 1.008000 0.423800 -6.8049E+00 -4.0791E+00 9.7982E+00 H2 4146 1.008000 0.423800 -8.2017E+00 -4.0782E+00 1.0644E+01 O6 4147 15.999400 -0.847600 -5.4762E+00 1.0801E+01 1.6536E+01 H1 4148 1.008000 0.423800 -6.0438E+00 1.1309E+01 1.7184E+01 H2 4149 1.008000 0.423800 -5.6394E+00 9.8206E+00 1.6648E+01 O6 4150 15.999400 -0.847600 -1.7708E+01 -9.1040E+00 1.1796E+01 H1 4151 1.008000 0.423800 -1.8367E+01 -8.6157E+00 1.1225E+01 H2 4152 1.008000 0.423800 -1.7335E+01 -8.4799E+00 1.2483E+01 O6 4153 15.999400 -0.847600 8.0938E-01 7.6362E+00 -6.7234E-02 H1 4154 1.008000 0.423800 5.6118E-01 6.7232E+00 -3.9116E-01 H2 4155 1.008000 0.423800 1.3901E+00 7.5559E+00 7.4287E-01 O6 4156 15.999400 -0.847600 1.3993E+01 -1.5393E+00 -3.8480E+00 H1 4157 1.008000 0.423800 1.4514E+01 -1.8122E+00 -4.6568E+00 H2 4158 1.008000 0.423800 1.3028E+01 -1.4443E+00 -4.0900E+00 O6 4159 15.999400 -0.847600 1.0231E+01 -1.6706E+01 -1.6997E+01 H1 4160 1.008000 0.423800 1.1146E+01 -1.6315E+01 -1.6902E+01 H2 4161 1.008000 0.423800 9.7274E+00 -1.6587E+01 -1.6141E+01 O6 4162 15.999400 -0.847600 1.7403E+01 -2.8042E+00 -1.3528E+01 H1 4163 1.008000 0.423800 1.8040E+01 -2.2437E+00 -1.4057E+01 H2 4164 1.008000 0.423800 1.6464E+01 -2.5312E+00 -1.3739E+01 O6 4165 15.999400 -0.847600 -1.2133E-01 5.0458E+00 -4.1836E-01 H1 4166 1.008000 0.423800 -3.1886E-01 4.2509E+00 1.5530E-01 H2 4167 1.008000 0.423800 -9.6421E-01 5.3585E+00 -8.5628E-01 O6 4168 15.999400 -0.847600 1.3085E+01 -1.8700E+00 1.7370E+01 H1 4169 1.008000 0.423800 1.2956E+01 -2.8276E+00 1.7112E+01 H2 4170 1.008000 0.423800 1.4008E+01 -1.7442E+00 1.7734E+01 O6 4171 15.999400 -0.847600 1.6494E+01 1.8644E+01 -1.2335E+01 H1 4172 1.008000 0.423800 1.5955E+01 1.8003E+01 -1.2881E+01 H2 4173 1.008000 0.423800 1.6610E+01 1.8279E+01 -1.1411E+01 O6 4174 15.999400 -0.847600 -1.6178E+00 7.1726E-01 -1.2265E+01 H1 4175 1.008000 0.423800 -1.0893E+00 4.0057E-01 -1.3053E+01 H2 4176 1.008000 0.423800 -1.0850E+00 5.8160E-01 -1.1430E+01 O6 4177 15.999400 -0.847600 4.3551E+00 -1.3591E+01 -6.1294E+00 H1 4178 1.008000 0.423800 5.2168E+00 -1.3292E+01 -6.5391E+00 H2 4179 1.008000 0.423800 4.5413E+00 -1.4056E+01 -5.2637E+00 O6 4180 15.999400 -0.847600 -1.0086E+00 -5.3222E+00 1.4291E+01 H1 4181 1.008000 0.423800 -1.4395E+00 -6.1965E+00 1.4067E+01 H2 4182 1.008000 0.423800 -2.9021E-01 -5.4690E+00 1.4970E+01 O6 4183 15.999400 -0.847600 1.3717E+01 -1.7353E+01 -1.3427E+01 H1 4184 1.008000 0.423800 1.2997E+01 -1.6689E+01 -1.3227E+01 H2 4185 1.008000 0.423800 1.3416E+01 -1.8265E+01 -1.3148E+01 O6 4186 15.999400 -0.847600 1.3501E+01 1.3832E+01 1.7567E+01 H1 4187 1.008000 0.423800 1.3419E+01 1.3554E+01 1.6610E+01 H2 4188 1.008000 0.423800 1.4461E+01 1.4010E+01 1.7781E+01 O6 4189 15.999400 -0.847600 -1.8678E+01 -1.7848E+01 -7.3360E-01 H1 4190 1.008000 0.423800 -1.9429E+01 -1.8501E+01 -6.3257E-01 H2 4191 1.008000 0.423800 -1.8520E+01 -1.7669E+01 -1.7047E+00 O6 4192 15.999400 -0.847600 4.3976E+00 1.6022E+01 -1.1943E+00 H1 4193 1.008000 0.423800 4.7176E+00 1.5455E+01 -1.9538E+00 H2 4194 1.008000 0.423800 5.1584E+00 1.6206E+01 -5.7205E-01 O6 4195 15.999400 -0.847600 -1.9160E+01 -1.4097E+01 7.7629E+00 H1 4196 1.008000 0.423800 1.9041E+01 -1.3860E+01 7.3875E+00 H2 4197 1.008000 0.423800 -1.8462E+01 -1.3511E+01 7.3542E+00 O6 4198 15.999400 -0.847600 -1.7259E+01 1.0797E+01 -5.3950E+00 H1 4199 1.008000 0.423800 -1.8046E+01 1.0502E+01 -4.8519E+00 H2 4200 1.008000 0.423800 -1.6614E+01 1.1285E+01 -4.8086E+00 O6 4201 15.999400 -0.847600 -1.0414E+01 -4.1398E-01 -1.0316E+01 H1 4202 1.008000 0.423800 -9.7154E+00 -2.9762E-01 -1.1022E+01 H2 4203 1.008000 0.423800 -1.1196E+01 1.7515E-01 -1.0521E+01 O6 4204 15.999400 -0.847600 5.7825E+00 -6.4999E+00 1.4879E+01 H1 4205 1.008000 0.423800 5.0629E+00 -7.0435E+00 1.4447E+01 H2 4206 1.008000 0.423800 5.5401E+00 -5.5308E+00 1.4835E+01 O6 4207 15.999400 -0.847600 1.9538E+00 1.9101E+01 1.8796E+01 H1 4208 1.008000 0.423800 1.6946E+00 1.8499E+01 1.8041E+01 H2 4209 1.008000 0.423800 2.8755E+00 1.9456E+01 1.8638E+01 O6 4210 15.999400 -0.847600 1.5608E+01 1.7112E+01 -1.9939E+00 H1 4211 1.008000 0.423800 1.5231E+01 1.6476E+01 -2.6678E+00 H2 4212 1.008000 0.423800 1.6601E+01 1.7005E+01 -1.9535E+00 O6 4213 15.999400 -0.847600 -1.8401E+01 -1.5170E+00 1.4378E+01 H1 4214 1.008000 0.423800 -1.8469E+01 -1.2329E+00 1.3422E+01 H2 4215 1.008000 0.423800 -1.8145E+01 -7.3172E-01 1.4942E+01 O6 4216 15.999400 -0.847600 -1.3633E+01 -8.7344E+00 -7.7961E+00 H1 4217 1.008000 0.423800 -1.4548E+01 -8.6230E+00 -8.1827E+00 H2 4218 1.008000 0.423800 -1.2952E+01 -8.6653E+00 -8.5256E+00 O6 4219 15.999400 -0.847600 2.2876E+00 -1.3244E+00 6.7383E+00 H1 4220 1.008000 0.423800 2.6577E+00 -2.2464E+00 6.6242E+00 H2 4221 1.008000 0.423800 1.3482E+00 -1.3818E+00 7.0763E+00 O6 4222 15.999400 -0.847600 1.4678E+01 1.1884E+00 1.9685E+00 H1 4223 1.008000 0.423800 1.4265E+01 2.0987E+00 1.9915E+00 H2 4224 1.008000 0.423800 1.5050E+01 9.6848E-01 2.8703E+00 O6 4225 15.999400 -0.847600 -1.3766E+00 1.7664E+01 -1.1938E+01 H1 4226 1.008000 0.423800 -4.0264E-01 1.7579E+01 -1.1727E+01 H2 4227 1.008000 0.423800 -1.7202E+00 1.8533E+01 -1.1584E+01 O6 4228 15.999400 -0.847600 6.6334E+00 -6.8431E+00 -1.6022E+01 H1 4229 1.008000 0.423800 7.5687E+00 -6.6078E+00 -1.5758E+01 H2 4230 1.008000 0.423800 5.9923E+00 -6.4554E+00 -1.5360E+01 O6 4231 15.999400 -0.847600 -1.6412E+01 -7.7784E+00 -8.1090E+00 H1 4232 1.008000 0.423800 -1.6877E+01 -8.2952E+00 -8.8280E+00 H2 4233 1.008000 0.423800 -1.6822E+01 -6.8693E+00 -8.0340E+00 O6 4234 15.999400 -0.847600 6.0762E+00 1.3155E+01 -8.3020E+00 H1 4235 1.008000 0.423800 6.4811E+00 1.2754E+01 -7.4801E+00 H2 4236 1.008000 0.423800 6.1618E+00 1.4150E+01 -8.2643E+00 O6 4237 15.999400 -0.847600 1.3066E+01 -2.0306E+00 -1.3173E+00 H1 4238 1.008000 0.423800 1.2116E+01 -1.9127E+00 -1.6054E+00 H2 4239 1.008000 0.423800 1.3674E+01 -1.8371E+00 -2.0873E+00 O6 4240 15.999400 -0.847600 -1.5517E+01 1.9202E+01 1.1332E+01 H1 4241 1.008000 0.423800 -1.5049E+01 1.8395E+01 1.1694E+01 H2 4242 1.008000 0.423800 -1.5174E+01 1.9401E+01 1.0414E+01 O6 4243 15.999400 -0.847600 -1.8987E+01 -2.6786E+00 5.0218E-01 H1 4244 1.008000 0.423800 -1.8270E+01 -2.5918E+00 -1.8963E-01 H2 4245 1.008000 0.423800 -1.9465E+01 -1.8053E+00 5.9833E-01 O6 4246 15.999400 -0.847600 1.6232E+01 7.1765E+00 -4.0686E+00 H1 4247 1.008000 0.423800 1.6238E+01 6.3107E+00 -3.5683E+00 H2 4248 1.008000 0.423800 1.6358E+01 6.9983E+00 -5.0445E+00 O6 4249 15.999400 -0.847600 -8.2263E+00 -1.2828E+01 6.3607E+00 H1 4250 1.008000 0.423800 -7.7495E+00 -1.3693E+01 6.2015E+00 H2 4251 1.008000 0.423800 -7.6844E+00 -1.2075E+01 5.9876E+00 O6 4252 15.999400 -0.847600 1.4863E+01 -1.9117E+00 4.4183E+00 H1 4253 1.008000 0.423800 1.4497E+01 -2.7404E+00 4.8416E+00 H2 4254 1.008000 0.423800 1.4504E+01 -1.8257E+00 3.4889E+00 O6 4255 15.999400 -0.847600 -4.2534E+00 -1.6963E+01 -7.9841E+00 H1 4256 1.008000 0.423800 -4.7878E+00 -1.7656E+01 -8.4677E+00 H2 4257 1.008000 0.423800 -3.8992E+00 -1.7349E+01 -7.1325E+00 O6 4258 15.999400 -0.847600 1.0875E+01 1.1408E+01 -9.5936E-01 H1 4259 1.008000 0.423800 1.0491E+01 1.1015E+01 -1.7948E+00 H2 4260 1.008000 0.423800 1.0151E+01 1.1866E+01 -4.4321E-01 O6 4261 15.999400 -0.847600 1.0189E+00 -2.7151E+00 -1.3131E+01 H1 4262 1.008000 0.423800 1.0928E+00 -2.6735E+00 -1.2134E+01 H2 4263 1.008000 0.423800 2.6924E-01 -3.3265E+00 -1.3384E+01 O6 4264 15.999400 -0.847600 -4.9662E+00 1.6619E+01 -1.4562E+01 H1 4265 1.008000 0.423800 -4.9051E+00 1.7616E+01 -1.4614E+01 H2 4266 1.008000 0.423800 -4.0932E+00 1.6217E+01 -1.4837E+01 O6 4267 15.999400 -0.847600 -5.7215E+00 2.1319E+00 6.0039E+00 H1 4268 1.008000 0.423800 -6.4288E+00 2.3721E+00 5.3390E+00 H2 4269 1.008000 0.423800 -5.7389E+00 1.1455E+00 6.1672E+00 O6 4270 15.999400 -0.847600 7.3158E+00 -1.7371E+01 1.6034E+01 H1 4271 1.008000 0.423800 6.5013E+00 -1.7312E+01 1.6611E+01 H2 4272 1.008000 0.423800 8.0289E+00 -1.6774E+01 1.6401E+01 O6 4273 15.999400 -0.847600 -1.2451E+01 1.0096E+01 6.2015E+00 H1 4274 1.008000 0.423800 -1.2506E+01 9.1362E+00 6.4775E+00 H2 4275 1.008000 0.423800 -1.3273E+01 1.0577E+01 6.5066E+00 O6 4276 15.999400 -0.847600 -1.6907E+01 7.7878E+00 -1.2316E+01 H1 4277 1.008000 0.423800 -1.6775E+01 8.5096E+00 -1.2995E+01 H2 4278 1.008000 0.423800 -1.6104E+01 7.1920E+00 -1.2302E+01 O6 4279 15.999400 -0.847600 1.3946E+00 1.7627E+01 -9.2126E+00 H1 4280 1.008000 0.423800 1.9467E+00 1.8127E+01 -8.5452E+00 H2 4281 1.008000 0.423800 1.5004E+00 1.8047E+01 -1.0114E+01 O6 4282 15.999400 -0.847600 -1.6163E+01 -1.7315E+01 5.0532E+00 H1 4283 1.008000 0.423800 -1.7148E+01 -1.7488E+01 5.0481E+00 H2 4284 1.008000 0.423800 -1.5677E+01 -1.8163E+01 5.2627E+00 O6 4285 15.999400 -0.847600 6.0823E+00 1.8084E+01 1.7085E+01 H1 4286 1.008000 0.423800 5.9051E+00 1.7115E+01 1.7257E+01 H2 4287 1.008000 0.423800 6.1143E+00 1.8247E+01 1.6099E+01 O6 4288 15.999400 -0.847600 -1.0891E+01 1.5515E+01 1.0343E+01 H1 4289 1.008000 0.423800 -1.0504E+01 1.5865E+01 1.1195E+01 H2 4290 1.008000 0.423800 -1.1261E+01 1.6274E+01 9.8079E+00 O6 4291 15.999400 -0.847600 -3.6467E+00 1.5572E+01 -4.5702E-01 H1 4292 1.008000 0.423800 -4.0878E+00 1.6459E+01 -5.9185E-01 H2 4293 1.008000 0.423800 -3.9174E+00 1.5196E+01 4.2934E-01 O6 4294 15.999400 -0.847600 -1.5096E+01 -1.2851E+01 1.6918E+01 H1 4295 1.008000 0.423800 -1.5821E+01 -1.3166E+01 1.7531E+01 H2 4296 1.008000 0.423800 -1.4466E+01 -1.2262E+01 1.7424E+01 O6 4297 15.999400 -0.847600 -4.5840E+00 -7.7361E+00 -6.0032E+00 H1 4298 1.008000 0.423800 -4.2645E+00 -6.7914E+00 -6.0775E+00 H2 4299 1.008000 0.423800 -5.5015E+00 -7.7474E+00 -5.6056E+00 O6 4300 15.999400 -0.847600 1.3319E+01 -1.2941E+01 -1.7144E+01 H1 4301 1.008000 0.423800 1.4073E+01 -1.2730E+01 -1.7766E+01 H2 4302 1.008000 0.423800 1.2632E+01 -1.2216E+01 -1.7196E+01 O6 4303 15.999400 -0.847600 1.0716E+01 -6.0282E+00 2.7253E+00 H1 4304 1.008000 0.423800 1.0151E+01 -6.5969E+00 3.3232E+00 H2 4305 1.008000 0.423800 1.1536E+01 -6.5350E+00 2.4613E+00 O6 4306 15.999400 -0.847600 1.3169E+01 5.2201E+00 1.6338E+01 H1 4307 1.008000 0.423800 1.3398E+01 6.1784E+00 1.6509E+01 H2 4308 1.008000 0.423800 1.2335E+01 5.1697E+00 1.5789E+01 O6 4309 15.999400 -0.847600 -4.1202E+00 1.6180E-01 -1.4828E+01 H1 4310 1.008000 0.423800 -3.4144E+00 5.6814E-01 -1.4248E+01 H2 4311 1.008000 0.423800 -4.9493E+00 7.1903E-01 -1.4784E+01 O6 4312 15.999400 -0.847600 -1.4297E+01 7.3440E+00 9.3952E+00 H1 4313 1.008000 0.423800 -1.4820E+01 6.5134E+00 9.5863E+00 H2 4314 1.008000 0.423800 -1.3790E+01 7.6141E+00 1.0214E+01 O6 4315 15.999400 -0.847600 -6.4794E+00 -1.0949E+01 5.2688E+00 H1 4316 1.008000 0.423800 -5.6837E+00 -1.1555E+01 5.2842E+00 H2 4317 1.008000 0.423800 -6.5085E+00 -1.0459E+01 4.3975E+00 O6 4318 15.999400 -0.847600 1.7670E+01 3.2447E+00 -1.3207E+01 H1 4319 1.008000 0.423800 1.7728E+01 4.0719E+00 -1.2648E+01 H2 4320 1.008000 0.423800 1.8592E+01 2.9326E+00 -1.3437E+01 O6 4321 15.999400 -0.847600 -6.6551E+00 1.1330E+01 1.2350E+01 H1 4322 1.008000 0.423800 -6.0448E+00 1.0648E+01 1.1947E+01 H2 4323 1.008000 0.423800 -6.9369E+00 1.1982E+01 1.1647E+01 O6 4324 15.999400 -0.847600 5.9908E+00 -1.7176E+01 -9.0406E+00 H1 4325 1.008000 0.423800 6.2548E+00 -1.8007E+01 -9.5310E+00 H2 4326 1.008000 0.423800 5.0661E+00 -1.6909E+01 -9.3117E+00 O6 4327 15.999400 -0.847600 6.5461E+00 -5.0232E+00 4.9043E+00 H1 4328 1.008000 0.423800 6.6741E+00 -4.9838E+00 3.9132E+00 H2 4329 1.008000 0.423800 6.6800E+00 -4.1121E+00 5.2940E+00 O6 4330 15.999400 -0.847600 -1.7976E+01 -3.7945E+00 -1.6194E+01 H1 4331 1.008000 0.423800 -1.8072E+01 -4.6706E+00 -1.5722E+01 H2 4332 1.008000 0.423800 -1.8659E+01 -3.1519E+00 -1.5847E+01 O6 4333 15.999400 -0.847600 -1.1203E+01 -1.6730E+01 -1.1274E+01 H1 4334 1.008000 0.423800 -1.0632E+01 -1.6195E+01 -1.1896E+01 H2 4335 1.008000 0.423800 -1.2167E+01 -1.6556E+01 -1.1473E+01 O6 4336 15.999400 -0.847600 -8.4825E+00 1.6975E+01 1.8559E+01 H1 4337 1.008000 0.423800 -9.1619E+00 1.7676E+01 1.8776E+01 H2 4338 1.008000 0.423800 -7.6462E+00 1.7149E+01 1.9078E+01 O6 4339 15.999400 -0.847600 -6.1756E-02 5.7068E+00 3.6511E+00 H1 4340 1.008000 0.423800 3.8161E-01 5.1296E+00 4.3369E+00 H2 4341 1.008000 0.423800 -8.6328E-01 5.2338E+00 3.2852E+00 O6 4342 15.999400 -0.847600 3.8271E+00 1.2007E+01 1.4660E+01 H1 4343 1.008000 0.423800 4.4775E+00 1.1583E+01 1.5290E+01 H2 4344 1.008000 0.423800 3.9545E+00 1.1627E+01 1.3744E+01 O6 4345 15.999400 -0.847600 -1.8393E+01 1.3935E+01 -1.8831E+00 H1 4346 1.008000 0.423800 -1.8525E+01 1.4803E+01 -1.4041E+00 H2 4347 1.008000 0.423800 -1.8068E+01 1.4114E+01 -2.8121E+00 O6 4348 15.999400 -0.847600 1.0809E+01 -9.6293E+00 -6.2427E-01 H1 4349 1.008000 0.423800 1.1147E+01 -9.5202E+00 3.1055E-01 H2 4350 1.008000 0.423800 9.9991E+00 -1.0215E+01 -6.1935E-01 O6 4351 15.999400 -0.847600 -9.9779E+00 7.0324E+00 3.3109E+00 H1 4352 1.008000 0.423800 -9.6431E+00 6.9966E+00 2.3693E+00 H2 4353 1.008000 0.423800 -1.0977E+01 7.0813E+00 3.3079E+00 O6 4354 15.999400 -0.847600 6.3600E+00 -9.2157E+00 -1.7923E+01 H1 4355 1.008000 0.423800 6.4391E+00 -8.5795E+00 -1.7156E+01 H2 4356 1.008000 0.423800 7.0495E+00 -9.9343E+00 -1.7833E+01 O6 4357 15.999400 -0.847600 1.4690E+01 -1.2302E+01 -1.4936E+01 H1 4358 1.008000 0.423800 1.4612E+01 -1.2775E+01 -1.5814E+01 H2 4359 1.008000 0.423800 1.3777E+01 -1.2090E+01 -1.4590E+01 O6 4360 15.999400 -0.847600 4.5539E+00 -1.5153E+00 -7.9378E+00 H1 4361 1.008000 0.423800 5.5313E+00 -1.3878E+00 -7.7690E+00 H2 4362 1.008000 0.423800 4.0431E+00 -7.6244E-01 -7.5228E+00 O6 4363 15.999400 -0.847600 1.9182E+01 1.2056E+01 1.4721E+01 H1 4364 1.008000 0.423800 -1.8976E+01 1.2389E+01 1.4810E+01 H2 4365 1.008000 0.423800 1.8832E+01 1.1804E+01 1.5623E+01 O6 4366 15.999400 -0.847600 8.0135E+00 -7.3846E+00 1.3929E+01 H1 4367 1.008000 0.423800 7.1953E+00 -6.9313E+00 1.4283E+01 H2 4368 1.008000 0.423800 7.9958E+00 -7.3713E+00 1.2929E+01 O6 4369 15.999400 -0.847600 -1.3161E+01 -1.5459E+01 4.9886E+00 H1 4370 1.008000 0.423800 -1.2990E+01 -1.6306E+01 5.4927E+00 H2 4371 1.008000 0.423800 -1.3937E+01 -1.4979E+01 5.3972E+00 O6 4372 15.999400 -0.847600 -3.1330E+00 9.7654E-01 1.8907E+01 H1 4373 1.008000 0.423800 -3.7354E+00 2.3482E-01 1.9202E+01 H2 4374 1.008000 0.423800 -3.6786E+00 1.7918E+00 1.8714E+01 O6 4375 15.999400 -0.847600 -7.4197E+00 7.5167E+00 5.1581E+00 H1 4376 1.008000 0.423800 -7.5511E+00 7.2566E+00 4.2015E+00 H2 4377 1.008000 0.423800 -7.2779E+00 8.5048E+00 5.2183E+00 O6 4378 15.999400 -0.847600 -1.6047E+00 6.0441E+00 -6.4994E+00 H1 4379 1.008000 0.423800 -1.5670E+00 6.9717E+00 -6.8711E+00 H2 4380 1.008000 0.423800 -2.3513E+00 5.9805E+00 -5.8372E+00 O6 4381 15.999400 -0.847600 -1.7749E+01 -8.9449E+00 5.1647E+00 H1 4382 1.008000 0.423800 -1.8235E+01 -9.0372E+00 4.2955E+00 H2 4383 1.008000 0.423800 -1.8297E+01 -9.3481E+00 5.8973E+00 O6 4384 15.999400 -0.847600 1.7397E+01 -1.8801E+01 -5.4409E+00 H1 4385 1.008000 0.423800 1.7945E+01 1.9503E+01 -5.1766E+00 H2 4386 1.008000 0.423800 1.7165E+01 -1.8865E+01 -6.4117E+00 O6 4387 15.999400 -0.847600 -1.4395E+00 -1.1678E+01 -8.5450E+00 H1 4388 1.008000 0.423800 -1.5429E+00 -1.0688E+01 -8.4423E+00 H2 4389 1.008000 0.423800 -1.7575E+00 -1.2134E+01 -7.7139E+00 O6 4390 15.999400 -0.847600 1.4337E+01 1.0725E+01 1.8861E+01 H1 4391 1.008000 0.423800 1.5009E+01 1.0813E+01 1.8126E+01 H2 4392 1.008000 0.423800 1.4806E+01 1.0501E+01 -1.9382E+01 O6 4393 15.999400 -0.847600 -2.1989E+00 1.3159E+01 8.9411E+00 H1 4394 1.008000 0.423800 -1.3930E+00 1.2567E+01 8.9145E+00 H2 4395 1.008000 0.423800 -1.9645E+00 1.4058E+01 8.5724E+00 O6 4396 15.999400 -0.847600 3.3529E+00 -6.9007E+00 1.8577E+01 H1 4397 1.008000 0.423800 3.3909E+00 -7.7357E+00 1.8028E+01 H2 4398 1.008000 0.423800 3.8729E+00 -6.1783E+00 1.8122E+01 O6 4399 15.999400 -0.847600 1.4565E+01 1.5581E+01 -7.4579E+00 H1 4400 1.008000 0.423800 1.5185E+01 1.4804E+01 -7.5686E+00 H2 4401 1.008000 0.423800 1.5005E+01 1.6280E+01 -6.8940E+00 O6 4402 15.999400 -0.847600 1.3665E+01 -6.8840E+00 1.0159E+00 H1 4403 1.008000 0.423800 1.4506E+01 -7.4140E+00 9.0341E-01 H2 4404 1.008000 0.423800 1.3627E+01 -6.1678E+00 3.1909E-01 O6 4405 15.999400 -0.847600 -7.5141E+00 2.3270E-01 4.8364E+00 H1 4406 1.008000 0.423800 -6.8610E+00 -4.0794E-01 5.2403E+00 H2 4407 1.008000 0.423800 -8.3720E+00 -2.4337E-01 4.6432E+00 O6 4408 15.999400 -0.847600 7.8566E+00 -1.4035E+01 -1.0711E+01 H1 4409 1.008000 0.423800 8.2611E+00 -1.4198E+01 -9.8111E+00 H2 4410 1.008000 0.423800 6.9760E+00 -1.3574E+01 -1.0602E+01 O6 4411 15.999400 -0.847600 -8.1287E+00 -8.5591E+00 -9.7494E+00 H1 4412 1.008000 0.423800 -7.2252E+00 -8.2035E+00 -9.5103E+00 H2 4413 1.008000 0.423800 -8.5587E+00 -7.9535E+00 -1.0419E+01 O6 4414 15.999400 -0.847600 2.3623E+00 9.8324E+00 -1.0782E+01 H1 4415 1.008000 0.423800 1.6987E+00 9.9845E+00 -1.0050E+01 H2 4416 1.008000 0.423800 2.6878E+00 8.8876E+00 -1.0746E+01 O6 4417 15.999400 -0.847600 -1.2197E+01 -9.1651E+00 1.8599E+01 H1 4418 1.008000 0.423800 -1.1908E+01 -9.9156E+00 1.8005E+01 H2 4419 1.008000 0.423800 -1.1544E+01 -9.0629E+00 1.9349E+01 O6 4420 15.999400 -0.847600 -1.0462E+01 -1.8007E+01 4.5279E+00 H1 4421 1.008000 0.423800 -1.0088E+01 -1.7143E+01 4.1908E+00 H2 4422 1.008000 0.423800 -1.1220E+01 -1.7820E+01 5.1534E+00 O6 4423 15.999400 -0.847600 3.2320E+00 8.9365E-01 4.4024E-01 H1 4424 1.008000 0.423800 3.7839E+00 2.2337E-01 -5.5919E-02 H2 4425 1.008000 0.423800 3.8344E+00 1.5331E+00 9.1799E-01 O6 4426 15.999400 -0.847600 4.1709E+00 7.0666E+00 -5.1208E+00 H1 4427 1.008000 0.423800 3.5835E+00 6.8656E+00 -5.9047E+00 H2 4428 1.008000 0.423800 3.8107E+00 6.6084E+00 -4.3082E+00 O6 4429 15.999400 -0.847600 -8.7694E+00 -7.8793E+00 -1.5654E+01 H1 4430 1.008000 0.423800 -8.9992E+00 -8.2213E+00 -1.6565E+01 H2 4431 1.008000 0.423800 -9.2889E+00 -8.3870E+00 -1.4967E+01 O6 4432 15.999400 -0.847600 -1.6573E+01 -1.4080E+01 -1.2813E+01 H1 4433 1.008000 0.423800 -1.6077E+01 -1.3845E+01 -1.3649E+01 H2 4434 1.008000 0.423800 -1.7197E+01 -1.4839E+01 -1.2998E+01 O6 4435 15.999400 -0.847600 -4.3902E+00 -5.6764E+00 -8.7873E+00 H1 4436 1.008000 0.423800 -4.3641E+00 -5.2761E+00 -7.8713E+00 H2 4437 1.008000 0.423800 -4.8180E+00 -6.5792E+00 -8.7445E+00 O6 4438 15.999400 -0.847600 -1.5909E+01 1.1478E+01 1.7053E+01 H1 4439 1.008000 0.423800 -1.5845E+01 1.1094E+01 1.6132E+01 H2 4440 1.008000 0.423800 -1.5030E+01 1.1880E+01 1.7309E+01 O6 4441 15.999400 -0.847600 1.9175E+01 1.1829E+01 -1.4807E+01 H1 4442 1.008000 0.423800 1.9437E+01 1.1102E+01 -1.5441E+01 H2 4443 1.008000 0.423800 -1.9144E+01 1.2058E+01 -1.4222E+01 O6 4444 15.999400 -0.847600 4.0903E+00 1.4494E+01 1.3502E+01 H1 4445 1.008000 0.423800 3.6321E+00 1.3704E+01 1.3910E+01 H2 4446 1.008000 0.423800 4.8120E+00 1.4178E+01 1.2885E+01 O6 4447 15.999400 -0.847600 9.2433E+00 -4.4190E+00 1.8050E+01 H1 4448 1.008000 0.423800 8.2621E+00 -4.2740E+00 1.8177E+01 H2 4449 1.008000 0.423800 9.4665E+00 -4.3526E+00 1.7077E+01 O6 4450 15.999400 -0.847600 1.7206E+00 1.6749E+01 9.0503E+00 H1 4451 1.008000 0.423800 1.7690E+00 1.6623E+01 1.0041E+01 H2 4452 1.008000 0.423800 2.4291E+00 1.6197E+01 8.6095E+00 O6 4453 15.999400 -0.847600 -4.3848E+00 -1.5351E+01 4.5358E+00 H1 4454 1.008000 0.423800 -4.2789E+00 -1.6143E+01 3.9343E+00 H2 4455 1.008000 0.423800 -4.2344E+00 -1.4512E+01 4.0122E+00 O6 4456 15.999400 -0.847600 6.9412E+00 9.6183E+00 1.8815E+01 H1 4457 1.008000 0.423800 6.4232E+00 8.7786E+00 1.8652E+01 H2 4458 1.008000 0.423800 7.9168E+00 9.4377E+00 1.8690E+01 O6 4459 15.999400 -0.847600 -1.6756E+01 -1.3756E+01 1.8924E+01 H1 4460 1.008000 0.423800 -1.7579E+01 -1.3189E+01 1.8879E+01 H2 4461 1.008000 0.423800 -1.6506E+01 -1.3904E+01 -1.9217E+01 O6 4462 15.999400 -0.847600 -1.9099E+01 7.4048E+00 2.1646E+00 H1 4463 1.008000 0.423800 -1.9045E+01 6.5543E+00 2.6879E+00 H2 4464 1.008000 0.423800 1.9136E+01 7.4302E+00 1.6585E+00 O6 4465 15.999400 -0.847600 1.1667E+01 -1.8099E+01 4.8467E+00 H1 4466 1.008000 0.423800 1.0768E+01 -1.8401E+01 5.1648E+00 H2 4467 1.008000 0.423800 1.1565E+01 -1.7596E+01 3.9884E+00 O6 4468 15.999400 -0.847600 1.2175E+00 -7.7307E+00 -1.9254E+01 H1 4469 1.008000 0.423800 2.0255E+00 -7.3370E+00 1.9405E+01 H2 4470 1.008000 0.423800 1.5034E+00 -8.3959E+00 -1.8564E+01 O6 4471 15.999400 -0.847600 8.5030E+00 1.0430E+01 -9.8128E+00 H1 4472 1.008000 0.423800 8.4179E+00 1.1379E+01 -1.0117E+01 H2 4473 1.008000 0.423800 7.6292E+00 1.0120E+01 -9.4375E+00 O6 4474 15.999400 -0.847600 1.7241E+01 -1.1078E+01 -8.3759E+00 H1 4475 1.008000 0.423800 1.7905E+01 -1.0368E+01 -8.1407E+00 H2 4476 1.008000 0.423800 1.7455E+01 -1.1449E+01 -9.2798E+00 O6 4477 15.999400 -0.847600 1.1766E+01 -1.5390E+01 -1.3066E+01 H1 4478 1.008000 0.423800 1.1577E+01 -1.5002E+01 -1.2164E+01 H2 4479 1.008000 0.423800 1.2309E+01 -1.4741E+01 -1.3600E+01 O6 4480 15.999400 -0.847600 1.0858E+00 -3.3363E+00 -5.4312E+00 H1 4481 1.008000 0.423800 9.0649E-01 -4.2093E+00 -5.8848E+00 H2 4482 1.008000 0.423800 1.0292E+00 -3.4579E+00 -4.4402E+00 O6 4483 15.999400 -0.847600 1.3845E+01 4.4277E+00 -1.4869E+01 H1 4484 1.008000 0.423800 1.3599E+01 4.0847E+00 -1.3962E+01 H2 4485 1.008000 0.423800 1.3617E+01 5.3993E+00 -1.4931E+01 O6 4486 15.999400 -0.847600 -4.2306E+00 -1.4933E+01 1.2131E+01 H1 4487 1.008000 0.423800 -4.6019E+00 -1.4614E+01 1.1259E+01 H2 4488 1.008000 0.423800 -3.2666E+00 -1.5172E+01 1.2016E+01 O6 4489 15.999400 -0.847600 1.4377E+01 -2.6648E+00 -1.1778E+01 H1 4490 1.008000 0.423800 1.4827E+01 -2.8592E+00 -1.2650E+01 H2 4491 1.008000 0.423800 1.4690E+01 -1.7804E+00 -1.1432E+01 O6 4492 15.999400 -0.847600 -1.6064E+01 -1.6085E+01 1.8061E+01 H1 4493 1.008000 0.423800 -1.6171E+01 -1.6883E+01 1.8654E+01 H2 4494 1.008000 0.423800 -1.6579E+01 -1.5317E+01 1.8441E+01 O6 4495 15.999400 -0.847600 1.0746E+01 1.2466E+01 -5.5637E+00 H1 4496 1.008000 0.423800 1.0914E+01 1.2449E+01 -6.5494E+00 H2 4497 1.008000 0.423800 1.1375E+01 1.3112E+01 -5.1302E+00 O6 4498 15.999400 -0.847600 -1.0990E+01 1.3806E+01 -2.6881E+00 H1 4499 1.008000 0.423800 -1.1806E+01 1.3671E+01 -3.2510E+00 H2 4500 1.008000 0.423800 -1.0256E+01 1.4186E+01 -3.2510E+00 O6 4501 15.999400 -0.847600 -1.4063E+00 -6.3100E+00 -8.7516E+00 H1 4502 1.008000 0.423800 -2.3604E+00 -6.1852E+00 -8.4791E+00 H2 4503 1.008000 0.423800 -1.3311E+00 -6.2341E+00 -9.7458E+00 O6 4504 15.999400 -0.847600 -1.8208E+01 9.8204E+00 -1.7170E+01 H1 4505 1.008000 0.423800 -1.8026E+01 1.0634E+01 -1.7722E+01 H2 4506 1.008000 0.423800 -1.7957E+01 9.0031E+00 -1.7689E+01 O6 4507 15.999400 -0.847600 -1.1864E+01 -5.2644E+00 1.7870E+01 H1 4508 1.008000 0.423800 -1.2331E+01 -6.0245E+00 1.8322E+01 H2 4509 1.008000 0.423800 -1.2501E+01 -4.5022E+00 1.7756E+01 O6 4510 15.999400 -0.847600 -6.0879E+00 -1.4872E+01 -7.8454E+00 H1 4511 1.008000 0.423800 -5.6292E+00 -1.5741E+01 -8.0341E+00 H2 4512 1.008000 0.423800 -6.1528E+00 -1.4738E+01 -6.8566E+00 O6 4513 15.999400 -0.847600 -1.4540E+01 -1.0142E+01 1.7931E+01 H1 4514 1.008000 0.423800 -1.4941E+01 -1.0438E+01 1.8798E+01 H2 4515 1.008000 0.423800 -1.3675E+01 -9.6711E+00 1.8108E+01 O6 4516 15.999400 -0.847600 -1.6569E+01 -4.9885E+00 1.0734E+01 H1 4517 1.008000 0.423800 -1.7500E+01 -4.9753E+00 1.0368E+01 H2 4518 1.008000 0.423800 -1.6228E+01 -5.9283E+00 1.0743E+01 O6 4519 15.999400 -0.847600 4.0575E+00 -1.8478E+01 -1.5583E+00 H1 4520 1.008000 0.423800 3.9624E+00 -1.8162E+01 -2.5025E+00 H2 4521 1.008000 0.423800 3.5806E+00 -1.9350E+01 -1.4487E+00 O6 4522 15.999400 -0.847600 1.1961E+01 1.5228E+01 -6.5722E+00 H1 4523 1.008000 0.423800 1.2786E+01 1.5354E+01 -7.1231E+00 H2 4524 1.008000 0.423800 1.2209E+01 1.4846E+01 -5.6824E+00 O6 4525 15.999400 -0.847600 1.0647E+01 1.1890E+01 5.4231E+00 H1 4526 1.008000 0.423800 1.1071E+01 1.2386E+01 4.6659E+00 H2 4527 1.008000 0.423800 1.1334E+01 1.1323E+01 5.8769E+00 O6 4528 15.999400 -0.847600 -8.8568E+00 -1.1814E+01 -4.1039E+00 H1 4529 1.008000 0.423800 -8.8403E+00 -1.2776E+01 -3.8304E+00 H2 4530 1.008000 0.423800 -9.8050E+00 -1.1512E+01 -4.2026E+00 O6 4531 15.999400 -0.847600 -7.3601E+00 -9.0116E+00 1.3681E+01 H1 4532 1.008000 0.423800 -7.0727E+00 -9.0806E+00 1.4636E+01 H2 4533 1.008000 0.423800 -7.6023E+00 -9.9198E+00 1.3339E+01 O6 4534 15.999400 -0.847600 -9.5705E+00 -1.2309E+01 1.4796E+01 H1 4535 1.008000 0.423800 -1.0405E+01 -1.1835E+01 1.4516E+01 H2 4536 1.008000 0.423800 -9.3404E+00 -1.2051E+01 1.5734E+01 O6 4537 15.999400 -0.847600 -1.4942E+01 -2.2693E+00 1.4465E+01 H1 4538 1.008000 0.423800 -1.4754E+01 -2.3754E+00 1.3489E+01 H2 4539 1.008000 0.423800 -1.5767E+01 -2.7808E+00 1.4703E+01 O6 4540 15.999400 -0.847600 -1.6631E+01 -2.4864E+00 -1.8350E+01 H1 4541 1.008000 0.423800 -1.6801E+01 -3.0946E+00 -1.9125E+01 H2 4542 1.008000 0.423800 -1.7220E+01 -2.7479E+00 -1.7585E+01 O6 4543 15.999400 -0.847600 -1.5127E+01 1.1349E+01 -1.1980E+01 H1 4544 1.008000 0.423800 -1.4416E+01 1.0738E+01 -1.1632E+01 H2 4545 1.008000 0.423800 -1.4915E+01 1.1604E+01 -1.2923E+01 O6 4546 15.999400 -0.847600 -9.0058E+00 -9.0251E+00 -6.3818E+00 H1 4547 1.008000 0.423800 -9.9236E+00 -9.0112E+00 -5.9851E+00 H2 4548 1.008000 0.423800 -8.8525E+00 -9.9024E+00 -6.8365E+00 O6 4549 15.999400 -0.847600 2.2353E+00 -1.8266E+01 1.6053E+01 H1 4550 1.008000 0.423800 2.9599E+00 -1.8787E+01 1.5603E+01 H2 4551 1.008000 0.423800 2.6426E+00 -1.7612E+01 1.6691E+01 O6 4552 15.999400 -0.847600 2.7962E+00 -3.0054E+00 1.3103E+01 H1 4553 1.008000 0.423800 2.5908E+00 -2.1675E+00 1.3609E+01 H2 4554 1.008000 0.423800 2.0103E+00 -3.6222E+00 1.3147E+01 O6 4555 15.999400 -0.847600 7.3367E+00 1.3057E+01 1.0713E+01 H1 4556 1.008000 0.423800 7.1333E+00 1.2318E+01 1.1356E+01 H2 4557 1.008000 0.423800 7.2396E+00 1.2720E+01 9.7768E+00 O6 4558 15.999400 -0.847600 -1.0926E+01 -6.2415E+00 9.5450E-02 H1 4559 1.008000 0.423800 -1.0893E+01 -7.1511E+00 5.0968E-01 H2 4560 1.008000 0.423800 -1.0541E+01 -5.5719E+00 7.3051E-01 O6 4561 15.999400 -0.847600 -3.3678E+00 -2.6880E+00 -1.7879E+01 H1 4562 1.008000 0.423800 -3.8167E+00 -3.1109E+00 -1.7091E+01 H2 4563 1.008000 0.423800 -2.4919E+00 -2.2988E+00 -1.7593E+01 O6 4564 15.999400 -0.847600 1.3585E+00 1.3761E+01 -6.2653E+00 H1 4565 1.008000 0.423800 1.8302E+00 1.4370E+01 -5.6277E+00 H2 4566 1.008000 0.423800 4.2224E-01 1.3608E+01 -5.9490E+00 O6 4567 15.999400 -0.847600 8.2136E-01 -6.1842E+00 -7.1345E+00 H1 4568 1.008000 0.423800 9.5706E-02 -6.1480E+00 -7.8216E+00 H2 4569 1.008000 0.423800 1.7059E+00 -6.2884E+00 -7.5891E+00 O6 4570 15.999400 -0.847600 -5.8875E+00 1.0023E+01 -1.9321E+01 H1 4571 1.008000 0.423800 -6.5011E+00 1.0671E+01 1.9326E+01 H2 4572 1.008000 0.423800 -5.7051E+00 1.0330E+01 -1.8387E+01 O6 4573 15.999400 -0.847600 1.6847E+01 2.8394E+00 -1.0657E+00 H1 4574 1.008000 0.423800 1.6376E+01 2.1635E+00 -1.6324E+00 H2 4575 1.008000 0.423800 1.7403E+01 2.3699E+00 -3.7963E-01 O6 4576 15.999400 -0.847600 -9.3194E+00 1.0239E+01 -1.6273E+01 H1 4577 1.008000 0.423800 -1.0081E+01 1.0737E+01 -1.5858E+01 H2 4578 1.008000 0.423800 -8.8555E+00 9.6960E+00 -1.5573E+01 O6 4579 15.999400 -0.847600 -9.9826E+00 -1.6270E+01 -4.9536E+00 H1 4580 1.008000 0.423800 -9.6530E+00 -1.6721E+01 -5.7827E+00 H2 4581 1.008000 0.423800 -9.3594E+00 -1.6466E+01 -4.1967E+00 O6 4582 15.999400 -0.847600 1.0758E+00 1.9128E+01 5.3630E+00 H1 4583 1.008000 0.423800 3.7192E-01 1.8502E+01 5.0278E+00 H2 4584 1.008000 0.423800 8.0229E-01 1.9491E+01 6.2537E+00 O6 4585 15.999400 -0.847600 -5.4746E+00 1.3229E+00 -4.9515E+00 H1 4586 1.008000 0.423800 -5.8558E+00 7.5528E-01 -4.2218E+00 H2 4587 1.008000 0.423800 -5.7728E+00 9.7018E-01 -5.8384E+00 O6 4588 15.999400 -0.847600 -6.9734E+00 1.3753E+01 1.0893E+01 H1 4589 1.008000 0.423800 -6.6653E+00 1.4687E+01 1.0714E+01 H2 4590 1.008000 0.423800 -7.9248E+00 1.3769E+01 1.1201E+01 O6 4591 15.999400 -0.847600 -1.2358E+01 2.6594E-01 -6.5024E+00 H1 4592 1.008000 0.423800 -1.2264E+01 1.1635E+00 -6.9331E+00 H2 4593 1.008000 0.423800 -1.3297E+01 -5.9885E-02 -6.6130E+00 O6 4594 15.999400 -0.847600 -3.7213E+00 1.8446E+01 1.8876E+01 H1 4595 1.008000 0.423800 -4.0126E+00 1.8924E+01 1.8048E+01 H2 4596 1.008000 0.423800 -2.9173E+00 1.7888E+01 1.8673E+01 O6 4597 15.999400 -0.847600 5.7666E+00 1.5584E+01 1.7567E+01 H1 4598 1.008000 0.423800 5.9759E+00 1.4909E+01 1.6859E+01 H2 4599 1.008000 0.423800 6.1510E+00 1.5282E+01 1.8439E+01 O6 4600 15.999400 -0.847600 1.7786E+01 -1.2003E+01 -1.1093E+01 H1 4601 1.008000 0.423800 1.7254E+01 -1.2298E+01 -1.1887E+01 H2 4602 1.008000 0.423800 1.8408E+01 -1.2736E+01 -1.0817E+01 O6 4603 15.999400 -0.847600 -1.4718E+01 -1.0462E+01 -3.9738E+00 H1 4604 1.008000 0.423800 -1.4106E+01 -9.7435E+00 -3.6433E+00 H2 4605 1.008000 0.423800 -1.5053E+01 -1.0997E+01 -3.1983E+00 O6 4606 15.999400 -0.847600 1.4523E+01 1.7561E+01 -1.3956E+01 H1 4607 1.008000 0.423800 1.4472E+01 1.7587E+01 -1.4954E+01 H2 4608 1.008000 0.423800 1.3744E+01 1.8054E+01 -1.3568E+01 O6 4609 15.999400 -0.847600 -5.1093E+00 2.4178E+00 -1.8339E+01 H1 4610 1.008000 0.423800 -4.8535E+00 3.1330E+00 -1.8990E+01 H2 4611 1.008000 0.423800 -4.2872E+00 1.9420E+00 -1.8027E+01 O6 4612 15.999400 -0.847600 1.1574E+01 4.6049E+00 -6.9998E+00 H1 4613 1.008000 0.423800 1.1699E+01 3.7950E+00 -7.5728E+00 H2 4614 1.008000 0.423800 1.0798E+01 5.1367E+00 -7.3399E+00 O6 4615 15.999400 -0.847600 -4.4917E+00 3.0860E+00 1.7839E+01 H1 4616 1.008000 0.423800 -5.4876E+00 3.1413E+00 1.7767E+01 H2 4617 1.008000 0.423800 -4.0823E+00 3.2755E+00 1.6947E+01 O6 4618 15.999400 -0.847600 3.0531E+00 -2.3798E+00 -1.6704E+01 H1 4619 1.008000 0.423800 3.4860E+00 -2.5407E+00 -1.7591E+01 H2 4620 1.008000 0.423800 2.0764E+00 -2.2104E+00 -1.6836E+01 O6 4621 15.999400 -0.847600 8.6030E+00 9.2155E+00 -1.7789E+01 H1 4622 1.008000 0.423800 7.9909E+00 8.4924E+00 -1.7469E+01 H2 4623 1.008000 0.423800 9.0009E+00 8.9509E+00 -1.8668E+01 O6 4624 15.999400 -0.847600 -4.7630E+00 -1.2374E+00 1.9433E+01 H1 4625 1.008000 0.423800 -4.3624E+00 -1.8039E+00 -1.8944E+01 H2 4626 1.008000 0.423800 -5.7398E+00 -1.4374E+00 1.9357E+01 O6 4627 15.999400 -0.847600 -1.5704E+01 -8.6283E+00 7.4008E+00 H1 4628 1.008000 0.423800 -1.6389E+01 -8.7506E+00 6.6830E+00 H2 4629 1.008000 0.423800 -1.4990E+01 -8.0067E+00 7.0777E+00 O6 4630 15.999400 -0.847600 9.0983E+00 -1.2120E+01 -8.2160E-01 H1 4631 1.008000 0.423800 9.3041E+00 -1.3039E+01 -4.8542E-01 H2 4632 1.008000 0.423800 8.1074E+00 -1.1988E+01 -8.4556E-01 O6 4633 15.999400 -0.847600 9.2072E+00 -7.6344E+00 4.2618E+00 H1 4634 1.008000 0.423800 8.5058E+00 -6.9217E+00 4.2507E+00 H2 4635 1.008000 0.423800 9.5885E+00 -7.7125E+00 5.1829E+00 O6 4636 15.999400 -0.847600 -1.3528E+01 1.4805E+01 9.6635E+00 H1 4637 1.008000 0.423800 -1.4221E+01 1.4703E+01 1.0378E+01 H2 4638 1.008000 0.423800 -1.2635E+01 1.4963E+01 1.0085E+01 O6 4639 15.999400 -0.847600 -1.8016E+01 -8.4655E+00 -3.4779E+00 H1 4640 1.008000 0.423800 -1.8228E+01 -9.3798E+00 -3.1324E+00 H2 4641 1.008000 0.423800 -1.7742E+01 -8.5270E+00 -4.4375E+00 O6 4642 15.999400 -0.847600 8.7417E+00 1.4819E+01 -1.6970E+01 H1 4643 1.008000 0.423800 8.9850E+00 1.5284E+01 -1.7821E+01 H2 4644 1.008000 0.423800 7.9704E+00 1.5290E+01 -1.6541E+01 O6 4645 15.999400 -0.847600 6.6388E+00 1.5640E+01 -1.5292E+01 H1 4646 1.008000 0.423800 6.1838E+00 1.4897E+01 -1.5782E+01 H2 4647 1.008000 0.423800 6.0073E+00 1.6409E+01 -1.5192E+01 O6 4648 15.999400 -0.847600 -1.2921E+01 1.5481E+01 1.7951E+01 H1 4649 1.008000 0.423800 -1.3782E+01 1.5264E+01 1.8411E+01 H2 4650 1.008000 0.423800 -1.2982E+01 1.6391E+01 1.7542E+01 O6 4651 15.999400 -0.847600 -1.4173E+01 -5.9847E+00 1.3650E+01 H1 4652 1.008000 0.423800 -1.3807E+01 -5.7227E+00 1.4543E+01 H2 4653 1.008000 0.423800 -1.3867E+01 -5.3296E+00 1.2959E+01 O6 4654 15.999400 -0.847600 -9.0483E+00 6.0075E+00 6.9546E+00 H1 4655 1.008000 0.423800 -8.4342E+00 6.5020E+00 6.3395E+00 H2 4656 1.008000 0.423800 -9.4838E+00 5.2567E+00 6.4580E+00 O6 4657 15.999400 -0.847600 -1.4333E+01 1.4655E+01 -1.8638E+00 H1 4658 1.008000 0.423800 -1.4194E+01 1.5345E+01 -2.5750E+00 H2 4659 1.008000 0.423800 -1.4966E+01 1.3956E+01 -2.1961E+00 O6 4660 15.999400 -0.847600 5.7849E+00 1.4477E+01 -3.2380E+00 H1 4661 1.008000 0.423800 6.7551E+00 1.4629E+01 -3.4271E+00 H2 4662 1.008000 0.423800 5.5957E+00 1.3495E+01 -3.2331E+00 O6 4663 15.999400 -0.847600 1.3974E+01 -1.6099E+01 7.9862E+00 H1 4664 1.008000 0.423800 1.3874E+01 -1.6994E+01 8.4206E+00 H2 4665 1.008000 0.423800 1.3984E+01 -1.5387E+01 8.6884E+00 O6 4666 15.999400 -0.847600 1.5636E+00 -1.5483E+01 -8.9391E+00 H1 4667 1.008000 0.423800 2.2557E+00 -1.6116E+01 -9.2847E+00 H2 4668 1.008000 0.423800 8.8226E-01 -1.5989E+01 -8.4106E+00 O6 4669 15.999400 -0.847600 -1.6847E+01 -1.8628E+01 1.3445E+01 H1 4670 1.008000 0.423800 -1.6708E+01 -1.9240E+01 1.2666E+01 H2 4671 1.008000 0.423800 -1.7795E+01 -1.8697E+01 1.3758E+01 O6 4672 15.999400 -0.847600 7.5651E-01 -1.1577E+00 1.4891E-01 H1 4673 1.008000 0.423800 1.0682E+00 -1.1449E+00 -8.0120E-01 H2 4674 1.008000 0.423800 1.5126E+00 -1.4300E+00 7.4405E-01 O6 4675 15.999400 -0.847600 -1.5792E+01 -1.5244E+01 1.5690E+01 H1 4676 1.008000 0.423800 -1.6089E+01 -1.5698E+01 1.6531E+01 H2 4677 1.008000 0.423800 -1.5381E+01 -1.4361E+01 1.5915E+01 O6 4678 15.999400 -0.847600 6.7561E-01 -5.9974E+00 1.6131E+01 H1 4679 1.008000 0.423800 1.0543E+00 -6.9078E+00 1.5964E+01 H2 4680 1.008000 0.423800 4.6973E-01 -5.8950E+00 1.7104E+01 O6 4681 15.999400 -0.847600 -1.9424E+01 5.7894E+00 -8.1648E-01 H1 4682 1.008000 0.423800 -1.9289E+01 5.7548E+00 -1.8067E+00 H2 4683 1.008000 0.423800 -1.9309E+01 4.8734E+00 -4.3220E-01 O6 4684 15.999400 -0.847600 -1.3869E+01 6.8819E+00 -1.3482E+00 H1 4685 1.008000 0.423800 -1.4830E+01 6.9333E+00 -1.6191E+00 H2 4686 1.008000 0.423800 -1.3563E+01 7.7803E+00 -1.0329E+00 O6 4687 15.999400 -0.847600 1.0273E+01 -2.9466E+00 -2.1743E+00 H1 4688 1.008000 0.423800 1.0113E+01 -3.8270E+00 -2.6209E+00 H2 4689 1.008000 0.423800 1.0157E+01 -3.0483E+00 -1.1863E+00 O6 4690 15.999400 -0.847600 1.6510E+01 -8.8294E+00 8.2552E+00 H1 4691 1.008000 0.423800 1.6866E+01 -9.7633E+00 8.2815E+00 H2 4692 1.008000 0.423800 1.6745E+01 -8.4073E+00 7.3797E+00 O6 4693 15.999400 -0.847600 3.0791E+00 3.2687E-01 -1.8869E+01 H1 4694 1.008000 0.423800 3.9096E+00 5.4807E-01 -1.8358E+01 H2 4695 1.008000 0.423800 3.2219E+00 5.2555E-01 1.9259E+01 O6 4696 15.999400 -0.847600 1.7828E+01 1.4754E+01 -1.0831E+01 H1 4697 1.008000 0.423800 1.8715E+01 1.4441E+01 -1.0490E+01 H2 4698 1.008000 0.423800 1.7928E+01 1.5073E+01 -1.1773E+01 O6 4699 15.999400 -0.847600 -8.2552E+00 -1.2337E+01 -1.7807E+01 H1 4700 1.008000 0.423800 -9.0056E+00 -1.2990E+01 -1.7909E+01 H2 4701 1.008000 0.423800 -7.3884E+00 -1.2832E+01 -1.7747E+01 O6 4702 15.999400 -0.847600 -1.7416E+01 1.1775E+01 -1.0560E+01 H1 4703 1.008000 0.423800 -1.6543E+01 1.1694E+01 -1.1041E+01 H2 4704 1.008000 0.423800 -1.7460E+01 1.1092E+01 -9.8312E+00 O6 4705 15.999400 -0.847600 1.7863E+01 -8.5684E+00 1.3889E+01 H1 4706 1.008000 0.423800 1.7940E+01 -9.5042E+00 1.4233E+01 H2 4707 1.008000 0.423800 1.6898E+01 -8.3400E+00 1.3759E+01 O6 4708 15.999400 -0.847600 -8.5373E+00 1.5868E+01 2.7875E+00 H1 4709 1.008000 0.423800 -7.9859E+00 1.5709E+01 1.9685E+00 H2 4710 1.008000 0.423800 -9.4882E+00 1.6029E+01 2.5230E+00 O6 4711 15.999400 -0.847600 3.2709E+00 1.5729E+01 4.3656E+00 H1 4712 1.008000 0.423800 3.2785E+00 1.6728E+01 4.3453E+00 H2 4713 1.008000 0.423800 4.1071E+00 1.5398E+01 4.8031E+00 O6 4714 15.999400 -0.847600 1.8257E+01 8.2933E-01 4.2351E+00 H1 4715 1.008000 0.423800 1.8975E+01 6.6351E-01 3.5585E+00 H2 4716 1.008000 0.423800 1.8630E+01 7.0049E-01 5.1542E+00 O6 4717 15.999400 -0.847600 1.7892E+00 1.2658E+01 1.6037E+01 H1 4718 1.008000 0.423800 1.9958E+00 1.3579E+01 1.6365E+01 H2 4719 1.008000 0.423800 2.5701E+00 1.2305E+01 1.5522E+01 O6 4720 15.999400 -0.847600 -1.6950E+01 7.7283E-01 -7.5434E+00 H1 4721 1.008000 0.423800 -1.7869E+01 1.1341E+00 -7.7034E+00 H2 4722 1.008000 0.423800 -1.6272E+01 1.4605E+00 -7.8025E+00 O6 4723 15.999400 -0.847600 1.5427E+01 -1.5293E+01 1.4685E+01 H1 4724 1.008000 0.423800 1.5995E+01 -1.5310E+01 1.3863E+01 H2 4725 1.008000 0.423800 1.6012E+01 -1.5320E+01 1.5496E+01 O6 4726 15.999400 -0.847600 -4.9977E+00 -1.4590E+01 9.3086E+00 H1 4727 1.008000 0.423800 -5.9500E+00 -1.4674E+01 9.0151E+00 H2 4728 1.008000 0.423800 -4.5261E+00 -1.5459E+01 9.1628E+00 O6 4729 15.999400 -0.847600 -1.3873E+00 -1.2240E+01 1.3683E+01 H1 4730 1.008000 0.423800 -5.7624E-01 -1.2759E+01 1.3412E+01 H2 4731 1.008000 0.423800 -1.7246E+00 -1.1717E+01 1.2901E+01 O6 4732 15.999400 -0.847600 1.9385E+01 1.1649E+00 -1.1827E+01 H1 4733 1.008000 0.423800 -1.8884E+01 8.3631E-01 -1.1374E+01 H2 4734 1.008000 0.423800 1.9518E+01 1.1512E+00 -1.2818E+01 O6 4735 15.999400 -0.847600 -1.7773E+01 -1.0667E+01 1.4734E+01 H1 4736 1.008000 0.423800 -1.8472E+01 -1.1220E+01 1.5189E+01 H2 4737 1.008000 0.423800 -1.7977E+01 -1.0612E+01 1.3756E+01 O6 4738 15.999400 -0.847600 1.1892E+01 -1.3017E+01 1.2755E+01 H1 4739 1.008000 0.423800 1.2859E+01 -1.2924E+01 1.2515E+01 H2 4740 1.008000 0.423800 1.1556E+01 -1.2151E+01 1.3126E+01 O6 4741 15.999400 -0.847600 1.2391E+01 1.6154E+01 -7.7752E-01 H1 4742 1.008000 0.423800 1.3019E+01 1.5722E+01 -1.2978E-01 H2 4743 1.008000 0.423800 1.2914E+01 1.6692E+01 -1.4387E+00 O6 4744 15.999400 -0.847600 -1.9336E+01 -8.9112E+00 2.7312E+00 H1 4745 1.008000 0.423800 1.8864E+01 -9.2057E+00 3.0594E+00 H2 4746 1.008000 0.423800 -1.9231E+01 -9.1696E+00 1.7709E+00 O6 4747 15.999400 -0.847600 6.1990E+00 1.2430E+01 7.4745E+00 H1 4748 1.008000 0.423800 6.4639E+00 1.1473E+01 7.5884E+00 H2 4749 1.008000 0.423800 5.2207E+00 1.2484E+01 7.2742E+00 O6 4750 15.999400 -0.847600 1.3330E+01 -1.3564E+01 -1.0187E+01 H1 4751 1.008000 0.423800 1.3517E+01 -1.3118E+01 -9.3117E+00 H2 4752 1.008000 0.423800 1.2467E+01 -1.4066E+01 -1.0128E+01 O6 4753 15.999400 -0.847600 1.6688E+01 -1.4818E+01 1.7264E+01 H1 4754 1.008000 0.423800 1.7611E+01 -1.4742E+01 1.7642E+01 H2 4755 1.008000 0.423800 1.6259E+01 -1.3915E+01 1.7249E+01 O6 4756 15.999400 -0.847600 -9.9884E+00 3.4199E+00 5.9414E+00 H1 4757 1.008000 0.423800 -1.0109E+01 2.8351E+00 6.7437E+00 H2 4758 1.008000 0.423800 -9.1713E+00 3.1343E+00 5.4406E+00 O6 4759 15.999400 -0.847600 -1.9980E-01 -1.8600E+01 -1.6929E+00 H1 4760 1.008000 0.423800 2.3314E-01 -1.8039E+01 -9.8756E-01 H2 4761 1.008000 0.423800 -1.1873E+00 -1.8627E+01 -1.5376E+00 O6 4762 15.999400 -0.847600 1.5444E+01 -1.2712E+01 3.5095E+00 H1 4763 1.008000 0.423800 1.4729E+01 -1.2063E+01 3.2518E+00 H2 4764 1.008000 0.423800 1.5078E+01 -1.3642E+01 3.4789E+00 O6 4765 15.999400 -0.847600 -7.9058E+00 -3.2751E+00 -1.3036E+01 H1 4766 1.008000 0.423800 -7.5118E+00 -4.1241E+00 -1.3388E+01 H2 4767 1.008000 0.423800 -8.8546E+00 -3.1960E+00 -1.3342E+01 O6 4768 15.999400 -0.847600 1.1278E+01 6.3485E+00 -5.3877E-02 H1 4769 1.008000 0.423800 1.1577E+01 7.2080E+00 3.6092E-01 H2 4770 1.008000 0.423800 1.1968E+01 6.0361E+00 -7.0696E-01 O6 4771 15.999400 -0.847600 1.4355E+01 1.7697E+01 1.3374E+01 H1 4772 1.008000 0.423800 1.3774E+01 1.8363E+01 1.2905E+01 H2 4773 1.008000 0.423800 1.4262E+01 1.7812E+01 1.4363E+01 O6 4774 15.999400 -0.847600 1.8179E+01 1.2637E+01 -1.9293E+00 H1 4775 1.008000 0.423800 1.9096E+01 1.2992E+01 -1.7504E+00 H2 4776 1.008000 0.423800 1.8177E+01 1.2139E+01 -2.7964E+00 O6 4777 15.999400 -0.847600 5.5712E+00 -7.4588E+00 1.0652E+01 H1 4778 1.008000 0.423800 6.5405E+00 -7.4209E+00 1.0895E+01 H2 4779 1.008000 0.423800 5.4266E+00 -8.1752E+00 9.9697E+00 O6 4780 15.999400 -0.847600 -1.7422E+01 1.0395E+01 6.0651E+00 H1 4781 1.008000 0.423800 -1.7506E+01 9.7232E+00 6.8011E+00 H2 4782 1.008000 0.423800 -1.7933E+01 1.0079E+01 5.2655E+00 O6 4783 15.999400 -0.847600 1.0924E+01 3.4602E+00 5.3821E+00 H1 4784 1.008000 0.423800 1.0299E+01 2.9860E+00 4.7620E+00 H2 4785 1.008000 0.423800 1.1595E+01 2.8107E+00 5.7402E+00 O6 4786 15.999400 -0.847600 -1.9317E+00 -1.6235E+01 -1.1970E+01 H1 4787 1.008000 0.423800 -2.0968E+00 -1.5414E+01 -1.2517E+01 H2 4788 1.008000 0.423800 -1.7698E+00 -1.5975E+01 -1.1018E+01 O6 4789 15.999400 -0.847600 1.7459E+01 -1.8807E+01 2.7322E+00 H1 4790 1.008000 0.423800 1.7715E+01 -1.8407E+01 1.8520E+00 H2 4791 1.008000 0.423800 1.6724E+01 -1.9471E+01 2.5954E+00 O6 4792 15.999400 -0.847600 1.4909E+01 -2.1334E+00 -8.6814E+00 H1 4793 1.008000 0.423800 1.3926E+01 -1.9567E+00 -8.7233E+00 H2 4794 1.008000 0.423800 1.5363E+01 -1.6743E+00 -9.4451E+00 O6 4795 15.999400 -0.847600 1.2490E+01 -8.2460E+00 -1.5890E+01 H1 4796 1.008000 0.423800 1.1683E+01 -8.3204E+00 -1.6477E+01 H2 4797 1.008000 0.423800 1.2225E+01 -7.8613E+00 -1.5006E+01 O6 4798 15.999400 -0.847600 6.9465E+00 -1.0577E+01 -7.3859E+00 H1 4799 1.008000 0.423800 7.1432E+00 -9.7274E+00 -7.8761E+00 H2 4800 1.008000 0.423800 6.1032E+00 -1.0979E+01 -7.7419E+00 O6 4801 15.999400 -0.847600 1.2274E+01 1.9041E+01 -1.3560E+01 H1 4802 1.008000 0.423800 1.2080E+01 1.9330E+01 -1.4497E+01 H2 4803 1.008000 0.423800 1.1417E+01 1.8811E+01 -1.3098E+01 O6 4804 15.999400 -0.847600 -7.9611E+00 -1.9519E+01 -6.4260E+00 H1 4805 1.008000 0.423800 -7.9152E+00 1.8591E+01 -6.5748E+00 H2 4806 1.008000 0.423800 -8.7661E+00 -1.9149E+01 -6.8899E+00 O6 4807 15.999400 -0.847600 5.2718E+00 4.4694E+00 -8.4538E+00 H1 4808 1.008000 0.423800 4.2940E+00 4.2618E+00 -8.4816E+00 H2 4809 1.008000 0.423800 5.4239E+00 5.4022E+00 -8.7805E+00 O6 4810 15.999400 -0.847600 -1.3245E+01 -1.1911E+01 2.7040E+00 H1 4811 1.008000 0.423800 -1.3897E+01 -1.2266E+01 3.3733E+00 H2 4812 1.008000 0.423800 -1.3571E+01 -1.2112E+01 1.7806E+00 O6 4813 15.999400 -0.847600 -1.2281E+01 9.5075E+00 -1.4561E+01 H1 4814 1.008000 0.423800 -1.2857E+01 8.7380E+00 -1.4285E+01 H2 4815 1.008000 0.423800 -1.1610E+01 9.6957E+00 -1.3844E+01 O6 4816 15.999400 -0.847600 -1.7887E+01 1.2179E+01 -1.3215E+01 H1 4817 1.008000 0.423800 -1.7421E+01 1.3038E+01 -1.3428E+01 H2 4818 1.008000 0.423800 -1.7996E+01 1.2096E+01 -1.2224E+01 O6 4819 15.999400 -0.847600 1.5110E+01 -1.1726E+01 -1.8797E+01 H1 4820 1.008000 0.423800 1.6078E+01 -1.1626E+01 -1.9029E+01 H2 4821 1.008000 0.423800 1.4755E+01 -1.0853E+01 -1.8463E+01 O6 4822 15.999400 -0.847600 1.3338E+01 -1.8537E+01 9.0422E+00 H1 4823 1.008000 0.423800 1.2407E+01 -1.8787E+01 9.3086E+00 H2 4824 1.008000 0.423800 1.3812E+01 -1.9344E+01 8.6905E+00 O6 4825 15.999400 -0.847600 -3.8666E+00 -1.3587E+01 -4.5991E+00 H1 4826 1.008000 0.423800 -4.7596E+00 -1.3714E+01 -5.0312E+00 H2 4827 1.008000 0.423800 -3.2181E+00 -1.3232E+01 -5.2719E+00 O6 4828 15.999400 -0.847600 -7.8209E+00 -8.3006E-02 -1.2465E+01 H1 4829 1.008000 0.423800 -7.1337E+00 -6.1500E-01 -1.1970E+01 H2 4830 1.008000 0.423800 -7.8439E+00 -3.7531E-01 -1.3421E+01 O6 4831 15.999400 -0.847600 5.7560E+00 2.7066E+00 -6.3374E+00 H1 4832 1.008000 0.423800 5.4435E+00 3.3575E+00 -7.0292E+00 H2 4833 1.008000 0.423800 5.9675E+00 3.1955E+00 -5.4911E+00 O6 4834 15.999400 -0.847600 8.5929E+00 1.1383E+00 3.6594E-01 H1 4835 1.008000 0.423800 7.9343E+00 3.9288E-01 2.6281E-01 H2 4836 1.008000 0.423800 9.1420E+00 9.8650E-01 1.1878E+00 O6 4837 15.999400 -0.847600 1.1748E+01 -2.7200E+00 6.1522E+00 H1 4838 1.008000 0.423800 1.1127E+01 -2.3072E+00 5.4863E+00 H2 4839 1.008000 0.423800 1.2251E+01 -1.9996E+00 6.6301E+00 O6 4840 15.999400 -0.847600 -5.9692E+00 -2.1653E+00 -1.1821E+01 H1 4841 1.008000 0.423800 -6.7238E+00 -2.4259E+00 -1.2423E+01 H2 4842 1.008000 0.423800 -5.1049E+00 -2.4772E+00 -1.2215E+01 O6 4843 15.999400 -0.847600 -6.9743E+00 8.6459E+00 -9.3279E+00 H1 4844 1.008000 0.423800 -7.5672E+00 7.9442E+00 -8.9327E+00 H2 4845 1.008000 0.423800 -6.2095E+00 8.8235E+00 -8.7086E+00 O6 4846 15.999400 -0.847600 -1.1057E+00 1.7481E+01 -1.6429E+01 H1 4847 1.008000 0.423800 -1.4849E+00 1.7004E+01 -1.5636E+01 H2 4848 1.008000 0.423800 -1.5644E+00 1.8363E+01 -1.6538E+01 O6 4849 15.999400 -0.847600 3.7599E+00 -1.6150E+01 -9.9490E-02 H1 4850 1.008000 0.423800 3.7852E+00 -1.6720E+01 -9.2100E-01 H2 4851 1.008000 0.423800 3.7541E+00 -1.6735E+01 7.1158E-01 O6 4852 15.999400 -0.847600 -2.6747E+00 -1.4862E+01 1.4645E+01 H1 4853 1.008000 0.423800 -1.7630E+00 -1.4973E+01 1.4249E+01 H2 4854 1.008000 0.423800 -3.1207E+00 -1.4066E+01 1.4236E+01 O6 4855 15.999400 -0.847600 -1.5586E+01 6.9626E-01 -1.3924E+01 H1 4856 1.008000 0.423800 -1.5945E+01 -2.2769E-01 -1.3791E+01 H2 4857 1.008000 0.423800 -1.5216E+01 7.8045E-01 -1.4849E+01 O6 4858 15.999400 -0.847600 3.1699E+00 -1.8999E+01 -1.6334E+01 H1 4859 1.008000 0.423800 3.7877E+00 -1.8213E+01 -1.6336E+01 H2 4860 1.008000 0.423800 3.6651E+00 1.9285E+01 -1.6640E+01 O6 4861 15.999400 -0.847600 -1.7211E+01 -6.1868E+00 5.9663E+00 H1 4862 1.008000 0.423800 -1.7357E+01 -7.0311E+00 5.4506E+00 H2 4863 1.008000 0.423800 -1.6644E+01 -5.5621E+00 5.4291E+00 O6 4864 15.999400 -0.847600 1.3001E+01 -4.7460E+00 -2.8002E+00 H1 4865 1.008000 0.423800 1.2012E+01 -4.7388E+00 -2.9484E+00 H2 4866 1.008000 0.423800 1.3339E+01 -3.8056E+00 -2.7590E+00 O6 4867 15.999400 -0.847600 8.0785E+00 -8.1361E+00 5.0912E-01 H1 4868 1.008000 0.423800 8.5533E+00 -8.6686E+00 1.2099E+00 H2 4869 1.008000 0.423800 7.4139E+00 -8.7186E+00 4.1177E-02 O6 4870 15.999400 -0.847600 -1.1690E+01 -1.0669E+01 1.4462E+01 H1 4871 1.008000 0.423800 -1.2620E+01 -1.0967E+01 1.4247E+01 H2 4872 1.008000 0.423800 -1.1504E+01 -9.7990E+00 1.4005E+01 O6 4873 15.999400 -0.847600 1.9100E+01 -1.8909E+01 1.8243E+01 H1 4874 1.008000 0.423800 1.9036E+01 -1.8319E+01 1.7438E+01 H2 4875 1.008000 0.423800 -1.9227E+01 -1.9537E+01 1.8136E+01 O6 4876 15.999400 -0.847600 -2.9502E+00 -1.9540E+01 -1.7100E+01 H1 4877 1.008000 0.423800 -2.2056E+00 -1.9087E+01 -1.7590E+01 H2 4878 1.008000 0.423800 -3.6771E+00 1.9320E+01 -1.7745E+01 O6 4879 15.999400 -0.847600 -1.9512E+01 -1.7605E+00 -1.5103E+01 H1 4880 1.008000 0.423800 -1.8676E+01 -1.2154E+00 -1.5038E+01 H2 4881 1.008000 0.423800 1.9044E+01 -1.4493E+00 -1.5884E+01 O6 4882 15.999400 -0.847600 9.0018E+00 7.5135E+00 -1.2875E+00 H1 4883 1.008000 0.423800 8.4442E+00 6.7821E+00 -1.6800E+00 H2 4884 1.008000 0.423800 9.8603E+00 7.1311E+00 -9.4578E-01 O6 4885 15.999400 -0.847600 -2.8685E+00 -1.3916E+01 1.7469E+01 H1 4886 1.008000 0.423800 -1.9826E+00 -1.4307E+01 1.7719E+01 H2 4887 1.008000 0.423800 -3.0771E+00 -1.4145E+01 1.6518E+01 O6 4888 15.999400 -0.847600 1.0246E+01 -1.0654E+01 -7.4847E+00 H1 4889 1.008000 0.423800 9.3487E+00 -1.1084E+01 -7.5783E+00 H2 4890 1.008000 0.423800 1.0130E+01 -9.6832E+00 -7.2736E+00 O6 4891 15.999400 -0.847600 -1.0076E+01 -7.1880E-01 -1.0359E+00 H1 4892 1.008000 0.423800 -1.0089E+01 -1.7088E+00 -1.1766E+00 H2 4893 1.008000 0.423800 -9.1408E+00 -4.2193E-01 -8.4289E-01 O6 4894 15.999400 -0.847600 1.1461E+01 -4.5251E+00 -7.1119E+00 H1 4895 1.008000 0.423800 1.1044E+01 -4.8435E+00 -7.9635E+00 H2 4896 1.008000 0.423800 1.2287E+01 -5.0565E+00 -6.9258E+00 O6 4897 15.999400 -0.847600 -1.1252E+01 1.7478E+01 -5.6260E+00 H1 4898 1.008000 0.423800 -1.0266E+01 1.7324E+01 -5.5665E+00 H2 4899 1.008000 0.423800 -1.1645E+01 1.6861E+01 -6.3081E+00 O6 4900 15.999400 -0.847600 -1.3776E+01 1.7946E+01 -1.9126E+01 H1 4901 1.008000 0.423800 -1.4182E+01 1.7033E+01 -1.9083E+01 H2 4902 1.008000 0.423800 -1.4148E+01 1.8439E+01 1.9185E+01 O6 4903 15.999400 -0.847600 5.4777E-01 -1.5126E+01 -1.6130E+01 H1 4904 1.008000 0.423800 -7.2148E-02 -1.5802E+01 -1.5731E+01 H2 4905 1.008000 0.423800 8.7991E-01 -1.4514E+01 -1.5412E+01 O6 4906 15.999400 -0.847600 -6.4964E+00 -1.3290E+01 -5.1913E+00 H1 4907 1.008000 0.423800 -6.9535E+00 -1.3828E+01 -4.4833E+00 H2 4908 1.008000 0.423800 -6.7035E+00 -1.2320E+01 -5.0587E+00 O6 4909 15.999400 -0.847600 -2.0295E+00 -7.0845E+00 -1.8015E+01 H1 4910 1.008000 0.423800 -2.2529E+00 -6.2196E+00 -1.8464E+01 H2 4911 1.008000 0.423800 -1.0676E+00 -7.0795E+00 -1.7742E+01 O6 4912 15.999400 -0.847600 1.9013E+01 -8.8463E+00 -1.8728E-02 H1 4913 1.008000 0.423800 -1.9406E+01 -8.1888E+00 -3.4638E-01 H2 4914 1.008000 0.423800 1.8813E+01 -9.5067E+00 -7.4237E-01 O6 4915 15.999400 -0.847600 -8.9059E-01 3.5784E-01 -7.6222E+00 H1 4916 1.008000 0.423800 -1.4574E+00 1.1185E+00 -7.9386E+00 H2 4917 1.008000 0.423800 -8.9112E-01 3.3522E-01 -6.6224E+00 O6 4918 15.999400 -0.847600 -4.6567E+00 -8.1690E+00 -1.7389E+01 H1 4919 1.008000 0.423800 -5.0638E+00 -8.1957E+00 -1.8302E+01 H2 4920 1.008000 0.423800 -3.6679E+00 -8.0426E+00 -1.7468E+01 O6 4921 15.999400 -0.847600 -1.9258E+01 -1.2828E+01 1.5955E+01 H1 4922 1.008000 0.423800 -1.8847E+01 -1.2875E+01 1.6865E+01 H2 4923 1.008000 0.423800 1.9342E+01 -1.3675E+01 1.5769E+01 O6 4924 15.999400 -0.847600 1.8130E+01 -1.4363E+01 3.1134E+00 H1 4925 1.008000 0.423800 1.9010E+01 -1.4141E+01 2.6936E+00 H2 4926 1.008000 0.423800 1.7456E+01 -1.3668E+01 2.8635E+00 O6 4927 15.999400 -0.847600 -7.8846E+00 -3.8779E+00 1.5755E+01 H1 4928 1.008000 0.423800 -8.0660E+00 -4.8344E+00 1.5984E+01 H2 4929 1.008000 0.423800 -7.5751E+00 -3.8150E+00 1.4806E+01 O6 4930 15.999400 -0.847600 7.6755E+00 6.0766E+00 1.1791E+01 H1 4931 1.008000 0.423800 6.6783E+00 6.0034E+00 1.1803E+01 H2 4932 1.008000 0.423800 7.9885E+00 6.2222E+00 1.0853E+01 O6 4933 15.999400 -0.847600 -1.5408E+01 -1.8675E+01 8.2817E+00 H1 4934 1.008000 0.423800 -1.5195E+01 -1.7778E+01 8.6694E+00 H2 4935 1.008000 0.423800 -1.4675E+01 -1.8951E+01 7.6597E+00 O6 4936 15.999400 -0.847600 -8.0241E+00 -1.1497E+01 1.2816E+01 H1 4937 1.008000 0.423800 -7.4632E+00 -1.2272E+01 1.2525E+01 H2 4938 1.008000 0.423800 -8.6947E+00 -1.1806E+01 1.3491E+01 O6 4939 15.999400 -0.847600 1.3080E+01 7.0785E+00 -1.5058E+01 H1 4940 1.008000 0.423800 1.3072E+01 7.3989E+00 -1.6005E+01 H2 4941 1.008000 0.423800 1.3351E+01 7.8285E+00 -1.4455E+01 O6 4942 15.999400 -0.847600 8.9630E+00 -9.4964E+00 1.5227E+01 H1 4943 1.008000 0.423800 8.4226E+00 -9.6781E+00 1.6049E+01 H2 4944 1.008000 0.423800 8.6136E+00 -8.6770E+00 1.4773E+01 O6 4945 15.999400 -0.847600 1.0516E+01 -1.3482E+01 8.1078E+00 H1 4946 1.008000 0.423800 1.0809E+01 -1.4361E+01 7.7293E+00 H2 4947 1.008000 0.423800 1.1266E+01 -1.2824E+01 8.0412E+00 O6 4948 15.999400 -0.847600 -3.2412E+00 -2.0901E+00 6.7341E+00 H1 4949 1.008000 0.423800 -2.6793E+00 -2.2646E+00 7.5427E+00 H2 4950 1.008000 0.423800 -2.7719E+00 -1.4404E+00 6.1361E+00 O6 4951 15.999400 -0.847600 1.7439E+01 -9.8396E+00 -1.5693E+01 H1 4952 1.008000 0.423800 1.8052E+01 -1.0440E+01 -1.5180E+01 H2 4953 1.008000 0.423800 1.6644E+01 -9.6149E+00 -1.5130E+01 O6 4954 15.999400 -0.847600 -7.2143E+00 -7.6276E+00 1.2500E+00 H1 4955 1.008000 0.423800 -6.3215E+00 -7.1860E+00 1.3389E+00 H2 4956 1.008000 0.423800 -7.7422E+00 -7.1710E+00 5.3395E-01 O6 4957 15.999400 -0.847600 1.1812E+01 1.8887E+01 1.8831E+01 H1 4958 1.008000 0.423800 1.1231E+01 1.8799E+01 1.8022E+01 H2 4959 1.008000 0.423800 1.2521E+01 1.8182E+01 1.8811E+01 O6 4960 15.999400 -0.847600 7.0483E+00 2.6181E+00 7.4689E+00 H1 4961 1.008000 0.423800 6.0666E+00 2.5147E+00 7.6288E+00 H2 4962 1.008000 0.423800 7.2441E+00 3.5598E+00 7.1955E+00 O6 4963 15.999400 -0.847600 -1.4840E+00 1.9292E+01 2.5904E+00 H1 4964 1.008000 0.423800 -1.3828E+00 -1.8815E+01 2.4904E+00 H2 4965 1.008000 0.423800 -8.5776E-01 1.8828E+01 1.9638E+00 O6 4966 15.999400 -0.847600 3.4401E+00 -8.8066E+00 -8.0809E+00 H1 4967 1.008000 0.423800 2.5999E+00 -9.0276E+00 -8.5761E+00 H2 4968 1.008000 0.423800 4.0903E+00 -9.5606E+00 -8.1746E+00 O6 4969 15.999400 -0.847600 9.6497E+00 -1.3183E+01 1.6636E+01 H1 4970 1.008000 0.423800 1.0644E+01 -1.3275E+01 1.6587E+01 H2 4971 1.008000 0.423800 9.4139E+00 -1.2460E+01 1.7286E+01 O6 4972 15.999400 -0.847600 8.3879E+00 -1.6780E+01 -1.6285E+00 H1 4973 1.008000 0.423800 8.2067E+00 -1.5859E+01 -1.9732E+00 H2 4974 1.008000 0.423800 8.7671E+00 -1.7342E+01 -2.3634E+00 O6 4975 15.999400 -0.847600 -6.5572E+00 -5.5706E+00 -1.3397E+01 H1 4976 1.008000 0.423800 -6.2658E+00 -6.0646E+00 -1.4216E+01 H2 4977 1.008000 0.423800 -5.8361E+00 -5.6171E+00 -1.2705E+01 O6 4978 15.999400 -0.847600 -8.1484E+00 -4.4004E+00 -1.8611E+01 H1 4979 1.008000 0.423800 -7.3477E+00 -4.8909E+00 -1.8955E+01 H2 4980 1.008000 0.423800 -8.8348E+00 -4.3337E+00 -1.9335E+01 O6 4981 15.999400 -0.847600 -1.2170E+01 6.7472E+00 1.3366E+01 H1 4982 1.008000 0.423800 -1.1991E+01 7.5639E+00 1.3914E+01 H2 4983 1.008000 0.423800 -1.1474E+01 6.6651E+00 1.2653E+01 O6 4984 15.999400 -0.847600 1.4840E+01 -2.5381E+00 1.1364E+01 H1 4985 1.008000 0.423800 1.3893E+01 -2.6036E+00 1.1047E+01 H2 4986 1.008000 0.423800 1.5297E+01 -3.4177E+00 1.1232E+01 O6 4987 15.999400 -0.847600 -6.9374E-01 8.6483E+00 -6.9371E+00 H1 4988 1.008000 0.423800 -1.1718E-01 9.2419E+00 -7.4986E+00 H2 4989 1.008000 0.423800 -2.4862E-01 8.4878E+00 -6.0562E+00 O6 4990 15.999400 -0.847600 -2.0719E+00 -1.5400E+01 -1.4166E+00 H1 4991 1.008000 0.423800 -2.2877E+00 -1.4529E+01 -1.8575E+00 H2 4992 1.008000 0.423800 -1.0936E+00 -1.5437E+01 -1.2125E+00 O6 4993 15.999400 -0.847600 -6.2447E+00 -4.9135E+00 6.6629E+00 H1 4994 1.008000 0.423800 -6.7376E+00 -5.7248E+00 6.9776E+00 H2 4995 1.008000 0.423800 -6.0063E+00 -4.3427E+00 7.4487E+00 O6 4996 15.999400 -0.847600 -8.4039E+00 -7.5247E+00 4.8341E+00 H1 4997 1.008000 0.423800 -8.0258E+00 -7.4029E+00 5.7519E+00 H2 4998 1.008000 0.423800 -7.7014E+00 -7.9041E+00 4.2320E+00 O6 4999 15.999400 -0.847600 -6.6636E+00 1.9362E+01 -1.7046E+01 H1 5000 1.008000 0.423800 -7.3566E+00 1.8969E+01 -1.6442E+01 H2 5001 1.008000 0.423800 -7.0736E+00 -1.9006E+01 -1.7593E+01 O6 5002 15.999400 -0.847600 1.9756E+00 1.7416E+01 1.6375E+01 H1 5003 1.008000 0.423800 2.8094E+00 1.7739E+01 1.5927E+01 H2 5004 1.008000 0.423800 2.1808E+00 1.6597E+01 1.6911E+01 O6 5005 15.999400 -0.847600 -1.7017E+01 -1.1882E+01 1.7275E+00 H1 5006 1.008000 0.423800 -1.6255E+01 -1.2459E+01 1.4340E+00 H2 5007 1.008000 0.423800 -1.7168E+01 -1.1160E+01 1.0516E+00 O6 5008 15.999400 -0.847600 4.2658E+00 -1.5742E+01 4.7852E+00 H1 5009 1.008000 0.423800 3.4052E+00 -1.5927E+01 5.2600E+00 H2 5010 1.008000 0.423800 4.7101E+00 -1.4947E+01 5.1978E+00 O6 5011 15.999400 -0.847600 1.4244E+01 8.8530E+00 -6.5703E+00 H1 5012 1.008000 0.423800 1.4057E+01 9.8346E+00 -6.5275E+00 H2 5013 1.008000 0.423800 1.3489E+01 8.3520E+00 -6.1470E+00 O6 5014 15.999400 -0.847600 -1.4903E+01 6.1406E+00 -1.2147E+01 H1 5015 1.008000 0.423800 -1.4191E+01 6.0661E+00 -1.1448E+01 H2 5016 1.008000 0.423800 -1.4479E+01 6.1999E+00 -1.3050E+01 O6 5017 15.999400 -0.847600 7.7261E+00 -1.4169E+00 -2.7061E+00 H1 5018 1.008000 0.423800 7.2780E+00 -1.3628E+00 -3.5985E+00 H2 5019 1.008000 0.423800 8.7059E+00 -1.5701E+00 -2.8339E+00 O6 5020 15.999400 -0.847600 -7.7836E+00 2.5097E+00 1.1114E+01 H1 5021 1.008000 0.423800 -6.8262E+00 2.3334E+00 1.1343E+01 H2 5022 1.008000 0.423800 -8.1029E+00 1.8210E+00 1.0463E+01 O6 5023 15.999400 -0.847600 8.0697E+00 -1.4110E+01 -1.5205E+01 H1 5024 1.008000 0.423800 7.6726E+00 -1.4200E+01 -1.6119E+01 H2 5025 1.008000 0.423800 8.4510E+00 -1.4989E+01 -1.4919E+01 O6 5026 15.999400 -0.847600 5.9501E+00 -1.0712E+01 -1.2646E+01 H1 5027 1.008000 0.423800 6.4964E+00 -9.9039E+00 -1.2865E+01 H2 5028 1.008000 0.423800 5.8536E+00 -1.1280E+01 -1.3464E+01 O6 5029 15.999400 -0.847600 -1.1250E+01 4.4513E+00 3.0766E+00 H1 5030 1.008000 0.423800 -1.2083E+01 4.6055E+00 3.6085E+00 H2 5031 1.008000 0.423800 -1.0575E+01 5.1537E+00 3.3027E+00 O6 5032 15.999400 -0.847600 -1.6142E+01 1.5335E+01 1.4454E+01 H1 5033 1.008000 0.423800 -1.7002E+01 1.5754E+01 1.4162E+01 H2 5034 1.008000 0.423800 -1.5379E+01 1.5926E+01 1.4193E+01 O6 5035 15.999400 -0.847600 4.4647E+00 -8.5813E+00 6.5423E-01 H1 5036 1.008000 0.423800 5.0070E+00 -8.9676E+00 -9.1847E-02 H2 5037 1.008000 0.423800 3.5112E+00 -8.8660E+00 5.5523E-01 O6 5038 15.999400 -0.847600 1.4922E+01 -1.5343E+01 4.4323E+00 H1 5039 1.008000 0.423800 1.4814E+01 -1.6315E+01 4.6405E+00 H2 5040 1.008000 0.423800 1.5885E+01 -1.5147E+01 4.2458E+00 O6 5041 15.999400 -0.847600 -9.0653E+00 7.7183E+00 -4.5384E+00 H1 5042 1.008000 0.423800 -8.6698E+00 8.6273E+00 -4.4072E+00 H2 5043 1.008000 0.423800 -9.6660E+00 7.5019E+00 -3.7687E+00 O6 5044 15.999400 -0.847600 1.0888E+01 -1.9175E+01 9.7754E+00 H1 5045 1.008000 0.423800 1.0211E+01 -1.9335E+01 9.0572E+00 H2 5046 1.008000 0.423800 1.1000E+01 1.9091E+01 1.0320E+01 O6 5047 15.999400 -0.847600 9.9991E+00 -1.0668E+01 -1.1651E+01 H1 5048 1.008000 0.423800 9.4731E+00 -1.1474E+01 -1.1923E+01 H2 5049 1.008000 0.423800 1.0867E+01 -1.0957E+01 -1.1248E+01 O6 5050 15.999400 -0.847600 -1.3076E+00 6.5639E-01 1.7161E+01 H1 5051 1.008000 0.423800 -2.1144E+00 8.8596E-01 1.7706E+01 H2 5052 1.008000 0.423800 -5.0798E-01 1.1254E+00 1.7536E+01 O6 5053 15.999400 -0.847600 -9.7611E+00 -4.2924E+00 1.9323E+00 H1 5054 1.008000 0.423800 -8.7784E+00 -4.1793E+00 2.0792E+00 H2 5055 1.008000 0.423800 -1.0191E+01 -4.6025E+00 2.7801E+00 O6 5056 15.999400 -0.847600 -1.3188E+01 1.2608E+01 -4.4564E+00 H1 5057 1.008000 0.423800 -1.2793E+01 1.1844E+01 -4.9655E+00 H2 5058 1.008000 0.423800 -1.4035E+01 1.2312E+01 -4.0147E+00 O6 5059 15.999400 -0.847600 1.0303E+01 1.6724E+01 -5.1879E+00 H1 5060 1.008000 0.423800 9.7504E+00 1.7262E+01 -5.8244E+00 H2 5061 1.008000 0.423800 1.0961E+01 1.6174E+01 -5.7013E+00 O6 5062 15.999400 -0.847600 8.5125E+00 -1.1639E+01 1.3292E+01 H1 5063 1.008000 0.423800 8.6379E+00 -1.2631E+01 1.3257E+01 H2 5064 1.008000 0.423800 8.6190E+00 -1.1323E+01 1.4235E+01 O6 5065 15.999400 -0.847600 8.0420E+00 1.3266E+01 5.4641E+00 H1 5066 1.008000 0.423800 7.3307E+00 1.3116E+01 6.1506E+00 H2 5067 1.008000 0.423800 8.8789E+00 1.2795E+01 5.7423E+00 O6 5068 15.999400 -0.847600 -8.0565E+00 1.8150E+01 1.1964E+01 H1 5069 1.008000 0.423800 -8.9783E+00 1.7793E+01 1.2115E+01 H2 5070 1.008000 0.423800 -8.1147E+00 1.9061E+01 1.1555E+01 O6 5071 15.999400 -0.847600 1.5052E+01 1.1747E+01 4.4825E+00 H1 5072 1.008000 0.423800 1.5839E+01 1.1160E+01 4.6711E+00 H2 5073 1.008000 0.423800 1.5135E+01 1.2594E+01 5.0086E+00 O6 5074 15.999400 -0.847600 1.9287E+01 -1.4476E+01 1.8376E+01 H1 5075 1.008000 0.423800 1.8948E+01 -1.4065E+01 1.9222E+01 H2 5076 1.008000 0.423800 -1.9289E+01 -1.5301E+01 1.8592E+01 O6 5077 15.999400 -0.847600 6.1406E+00 -1.5159E+01 1.7812E+01 H1 5078 1.008000 0.423800 6.2752E+00 -1.4311E+01 1.8324E+01 H2 5079 1.008000 0.423800 6.7198E+00 -1.5877E+01 1.8197E+01 O6 5080 15.999400 -0.847600 -6.2450E+00 -1.0008E+01 1.0465E+01 H1 5081 1.008000 0.423800 -7.0395E+00 -1.0541E+01 1.0758E+01 H2 5082 1.008000 0.423800 -6.2240E+00 -9.9627E+00 9.4662E+00 O6 5083 15.999400 -0.847600 -1.4201E+01 3.8437E+00 -1.7518E+01 H1 5084 1.008000 0.423800 -1.4632E+01 2.9418E+00 -1.7485E+01 H2 5085 1.008000 0.423800 -1.3902E+01 4.0358E+00 -1.8453E+01 O6 5086 15.999400 -0.847600 -1.3484E+01 -1.2888E+01 -1.8419E+01 H1 5087 1.008000 0.423800 -1.2953E+01 -1.2536E+01 -1.9190E+01 H2 5088 1.008000 0.423800 -1.2898E+01 -1.2947E+01 -1.7611E+01 O6 5089 15.999400 -0.847600 -1.1422E+01 -6.0575E+00 -1.8005E+01 H1 5090 1.008000 0.423800 -1.0945E+01 -5.8765E+00 -1.7145E+01 H2 5091 1.008000 0.423800 -1.1945E+01 -5.2481E+00 -1.8273E+01 O6 5092 15.999400 -0.847600 -1.4246E+01 -1.5620E+01 1.1908E+01 H1 5093 1.008000 0.423800 -1.3573E+01 -1.6360E+01 1.1915E+01 H2 5094 1.008000 0.423800 -1.3827E+01 -1.4785E+01 1.2266E+01 O6 5095 15.999400 -0.847600 -5.2561E-01 -4.4531E+00 -1.5980E+01 H1 5096 1.008000 0.423800 -5.2352E-01 -4.3377E+00 -1.4987E+01 H2 5097 1.008000 0.423800 -9.5917E-01 -3.6595E+00 -1.6407E+01 O6 5098 15.999400 -0.847600 8.0614E+00 1.6700E+01 -1.3105E+01 H1 5099 1.008000 0.423800 7.6691E+00 1.7618E+01 -1.3161E+01 H2 5100 1.008000 0.423800 7.5277E+00 1.6074E+01 -1.3673E+01 O6 5101 15.999400 -0.847600 6.5826E+00 -4.1491E+00 -9.9174E+00 H1 5102 1.008000 0.423800 6.9740E+00 -3.3876E+00 -1.0434E+01 H2 5103 1.008000 0.423800 7.2991E+00 -4.5859E+00 -9.3736E+00 O6 5104 15.999400 -0.847600 7.8575E+00 1.1831E+01 -1.7083E+01 H1 5105 1.008000 0.423800 8.5326E+00 1.2548E+01 -1.6909E+01 H2 5106 1.008000 0.423800 8.3261E+00 1.0991E+01 -1.7358E+01 O6 5107 15.999400 -0.847600 -5.1338E-01 6.4480E+00 1.8459E+01 H1 5108 1.008000 0.423800 -5.1891E-01 7.3869E+00 1.8803E+01 H2 5109 1.008000 0.423800 -8.6253E-01 5.8322E+00 1.9166E+01 O6 5110 15.999400 -0.847600 -1.1360E+01 1.0366E+01 -2.6468E+00 H1 5111 1.008000 0.423800 -1.1561E+01 1.0249E+01 -3.6195E+00 H2 5112 1.008000 0.423800 -1.1668E+01 1.1270E+01 -2.3493E+00 O6 5113 15.999400 -0.847600 1.0514E+01 1.1446E+01 -8.3343E+00 H1 5114 1.008000 0.423800 1.1150E+01 1.1659E+01 -9.0765E+00 H2 5115 1.008000 0.423800 9.7640E+00 1.0888E+01 -8.6879E+00 O6 5116 15.999400 -0.847600 1.4805E+01 1.7912E+01 3.1940E+00 H1 5117 1.008000 0.423800 1.5244E+01 1.7137E+01 2.7385E+00 H2 5118 1.008000 0.423800 1.4080E+01 1.8275E+01 2.6096E+00 O6 5119 15.999400 -0.847600 -8.0151E-01 -9.4008E+00 -1.1906E+01 H1 5120 1.008000 0.423800 -1.7434E+00 -9.6955E+00 -1.1745E+01 H2 5121 1.008000 0.423800 -4.0575E-01 -9.9412E+00 -1.2648E+01 O6 5122 15.999400 -0.847600 -5.4301E+00 1.2952E+01 -4.7052E+00 H1 5123 1.008000 0.423800 -5.2109E+00 1.3565E+01 -3.9459E+00 H2 5124 1.008000 0.423800 -6.4229E+00 1.2890E+01 -4.8078E+00 O6 5125 15.999400 -0.847600 -7.1685E+00 -4.1163E+00 3.9117E+00 H1 5126 1.008000 0.423800 -6.2739E+00 -3.7003E+00 4.0747E+00 H2 5127 1.008000 0.423800 -7.2903E+00 -4.8960E+00 4.5259E+00 O6 5128 15.999400 -0.847600 -4.6001E+00 1.0224E+01 -4.4230E+00 H1 5129 1.008000 0.423800 -3.6109E+00 1.0314E+01 -4.3074E+00 H2 5130 1.008000 0.423800 -5.0086E+00 1.1131E+01 -4.5170E+00 O6 5131 15.999400 -0.847600 -6.7784E+00 3.9425E+00 1.4832E+01 H1 5132 1.008000 0.423800 -7.1541E+00 4.4283E+00 1.4043E+01 H2 5133 1.008000 0.423800 -6.3778E+00 4.6012E+00 1.5469E+01 O6 5134 15.999400 -0.847600 -1.8741E+01 -1.6819E+01 1.9497E+01 H1 5135 1.008000 0.423800 -1.9291E+01 -1.7607E+01 1.9218E+01 H2 5136 1.008000 0.423800 -1.8402E+01 -1.6962E+01 -1.8671E+01 O6 5137 15.999400 -0.847600 1.4996E+01 7.7117E+00 -8.9647E+00 H1 5138 1.008000 0.423800 1.4513E+01 8.0860E+00 -8.1732E+00 H2 5139 1.008000 0.423800 1.5643E+01 7.0124E+00 -8.6604E+00 O6 5140 15.999400 -0.847600 -1.7722E+00 -1.1805E+01 -1.8271E+01 H1 5141 1.008000 0.423800 -1.9688E+00 -1.2783E+01 -1.8348E+01 H2 5142 1.008000 0.423800 -1.0220E+00 -1.1566E+01 -1.8887E+01 O6 5143 15.999400 -0.847600 3.0654E+00 -6.4649E+00 2.3027E+00 H1 5144 1.008000 0.423800 3.7373E+00 -7.1737E+00 2.0878E+00 H2 5145 1.008000 0.423800 2.4024E+00 -6.3973E+00 1.5571E+00 O6 5146 15.999400 -0.847600 -1.9243E+01 1.2512E+01 -1.8955E+01 H1 5147 1.008000 0.423800 1.9061E+01 1.2096E+01 -1.9398E+01 H2 5148 1.008000 0.423800 1.9546E+01 1.3173E+01 -1.8271E+01 O6 5149 15.999400 -0.847600 5.7262E+00 4.1055E+00 -1.7611E+01 H1 5150 1.008000 0.423800 5.8957E+00 4.8360E+00 -1.8272E+01 H2 5151 1.008000 0.423800 5.6153E+00 4.5007E+00 -1.6699E+01 O6 5152 15.999400 -0.847600 -1.6154E+01 7.8516E+00 4.7440E+00 H1 5153 1.008000 0.423800 -1.5801E+01 8.4010E+00 3.9868E+00 H2 5154 1.008000 0.423800 -1.5847E+01 6.9056E+00 4.6413E+00 O6 5155 15.999400 -0.847600 -7.6798E+00 -1.7923E+01 -1.2091E+01 H1 5156 1.008000 0.423800 -7.7028E+00 -1.8773E+01 -1.1565E+01 H2 5157 1.008000 0.423800 -6.9067E+00 -1.7365E+01 -1.1790E+01 O6 5158 15.999400 -0.847600 1.5329E+01 1.9251E+00 -1.3312E+01 H1 5159 1.008000 0.423800 1.6213E+01 2.3853E+00 -1.3230E+01 H2 5160 1.008000 0.423800 1.4616E+01 2.4969E+00 -1.2906E+01 O6 5161 15.999400 -0.847600 -3.2444E+00 7.7428E+00 1.5222E+01 H1 5162 1.008000 0.423800 -3.0171E+00 8.5541E+00 1.5761E+01 H2 5163 1.008000 0.423800 -2.7722E+00 6.9475E+00 1.5602E+01 O6 5164 15.999400 -0.847600 2.3300E+00 -9.2933E-01 1.4826E+01 H1 5165 1.008000 0.423800 1.3502E+00 -9.8094E-01 1.5019E+01 H2 5166 1.008000 0.423800 2.8281E+00 -7.5170E-01 1.5675E+01 O6 5167 15.999400 -0.847600 9.3608E+00 1.2840E+00 3.8872E+00 H1 5168 1.008000 0.423800 9.3870E+00 3.9039E-01 4.3353E+00 H2 5169 1.008000 0.423800 9.9626E+00 1.2742E+00 3.0886E+00 O6 5170 15.999400 -0.847600 -1.8800E+01 -1.6466E+01 -1.0423E+01 H1 5171 1.008000 0.423800 -1.9296E+01 -1.6583E+01 -9.5625E+00 H2 5172 1.008000 0.423800 -1.9417E+01 -1.6089E+01 -1.1114E+01 O6 5173 15.999400 -0.847600 -1.1314E+01 1.4083E+01 -1.1707E+01 H1 5174 1.008000 0.423800 -1.2128E+01 1.3601E+01 -1.1382E+01 H2 5175 1.008000 0.423800 -1.0847E+01 1.3523E+01 -1.2391E+01 O6 5176 15.999400 -0.847600 -1.6507E+00 1.6739E+01 1.8806E+01 H1 5177 1.008000 0.423800 -1.3249E+00 1.5978E+01 1.8246E+01 H2 5178 1.008000 0.423800 -8.7886E-01 1.7325E+01 1.9053E+01 O6 5179 15.999400 -0.847600 5.3211E+00 7.1853E+00 -1.3317E+00 H1 5180 1.008000 0.423800 5.8274E+00 7.9608E+00 -9.5435E-01 H2 5181 1.008000 0.423800 4.9421E+00 6.6394E+00 -5.8448E-01 O6 5182 15.999400 -0.847600 1.0649E+01 -1.4951E+00 4.0066E+00 H1 5183 1.008000 0.423800 9.7432E+00 -1.8747E+00 4.1929E+00 H2 5184 1.008000 0.423800 1.1202E+01 -2.1744E+00 3.5241E+00 O6 5185 15.999400 -0.847600 -1.5583E+01 -1.6695E+01 -1.5236E+01 H1 5186 1.008000 0.423800 -1.5228E+01 -1.5891E+01 -1.4758E+01 H2 5187 1.008000 0.423800 -1.4829E+01 -1.7315E+01 -1.5451E+01 O6 5188 15.999400 -0.847600 1.1328E+01 6.2112E+00 5.0032E+00 H1 5189 1.008000 0.423800 1.2166E+01 6.4403E+00 4.5085E+00 H2 5190 1.008000 0.423800 1.1222E+01 5.2175E+00 5.0370E+00 O6 5191 15.999400 -0.847600 6.0731E+00 -9.3471E+00 2.9414E+00 H1 5192 1.008000 0.423800 5.9474E+00 -8.8524E+00 2.0815E+00 H2 5193 1.008000 0.423800 5.6974E+00 -1.0270E+01 2.8531E+00 O6 5194 15.999400 -0.847600 1.5499E+01 -4.8761E-01 1.3210E+01 H1 5195 1.008000 0.423800 1.4681E+01 -3.1100E-01 1.3757E+01 H2 5196 1.008000 0.423800 1.5336E+01 -1.2714E+00 1.2611E+01 O6 5197 15.999400 -0.847600 -1.2521E+01 4.5183E+00 -1.5313E+01 H1 5198 1.008000 0.423800 -1.1864E+01 3.8240E+00 -1.5018E+01 H2 5199 1.008000 0.423800 -1.3062E+01 4.1622E+00 -1.6075E+01 O6 5200 15.999400 -0.847600 1.7527E+01 -1.2002E+01 -2.6044E-01 H1 5201 1.008000 0.423800 1.8154E+01 -1.2763E+01 -4.2706E-01 H2 5202 1.008000 0.423800 1.7909E+01 -1.1164E+01 -6.5055E-01 O6 5203 15.999400 -0.847600 4.7926E+00 -1.9106E+01 1.8993E+01 H1 5204 1.008000 0.423800 4.8526E+00 1.9313E+01 -1.9372E+01 H2 5205 1.008000 0.423800 5.2195E+00 -1.9472E+01 1.8165E+01 O6 5206 15.999400 -0.847600 1.3065E+00 -1.3309E+01 5.3523E+00 H1 5207 1.008000 0.423800 1.6196E+00 -1.4135E+01 5.8200E+00 H2 5208 1.008000 0.423800 2.0916E+00 -1.2724E+01 5.1471E+00 O6 5209 15.999400 -0.847600 1.8037E+01 -4.6871E+00 -6.4072E-01 H1 5210 1.008000 0.423800 1.7420E+01 -4.2374E+00 5.2917E-03 H2 5211 1.008000 0.423800 1.8949E+01 -4.2853E+00 -5.6493E-01 O6 5212 15.999400 -0.847600 -1.6454E+01 8.5101E+00 1.2788E+01 H1 5213 1.008000 0.423800 -1.5817E+01 7.7784E+00 1.2545E+01 H2 5214 1.008000 0.423800 -1.5987E+01 9.1805E+00 1.3365E+01 O6 5215 15.999400 -0.847600 1.7137E+01 -7.6509E+00 5.9731E+00 H1 5216 1.008000 0.423800 1.6736E+01 -7.6718E+00 5.0574E+00 H2 5217 1.008000 0.423800 1.7643E+01 -6.7974E+00 6.0956E+00 O6 5218 15.999400 -0.847600 1.0474E+00 1.9226E+00 1.7852E+01 H1 5219 1.008000 0.423800 1.7685E+00 2.2606E+00 1.8457E+01 H2 5220 1.008000 0.423800 8.5495E-01 2.6066E+00 1.7148E+01 O6 5221 15.999400 -0.847600 3.1150E+00 1.8249E+01 -5.2250E+00 H1 5222 1.008000 0.423800 2.3404E+00 1.8417E+01 -4.6151E+00 H2 5223 1.008000 0.423800 3.7159E+00 1.7561E+01 -4.8188E+00 O6 5224 15.999400 -0.847600 -1.3177E+01 -9.6901E-01 -1.8542E+00 H1 5225 1.008000 0.423800 -1.3135E+01 -5.8232E-01 -9.3291E-01 H2 5226 1.008000 0.423800 -1.2570E+01 -1.7621E+00 -1.9104E+00 O6 5227 15.999400 -0.847600 -8.9906E+00 1.5878E+01 -1.2116E+01 H1 5228 1.008000 0.423800 -8.1409E+00 1.5906E+01 -1.1589E+01 H2 5229 1.008000 0.423800 -9.3638E+00 1.6803E+01 -1.2196E+01 O6 5230 15.999400 -0.847600 -6.8671E-01 -1.7201E+01 -1.4705E+01 H1 5231 1.008000 0.423800 -8.4620E-01 -1.8176E+01 -1.4857E+01 H2 5232 1.008000 0.423800 -1.0760E+00 -1.6934E+01 -1.3823E+01 O6 5233 15.999400 -0.847600 -1.3592E+01 4.4749E+00 1.8930E+01 H1 5234 1.008000 0.423800 -1.3322E+01 5.1932E+00 1.8289E+01 H2 5235 1.008000 0.423800 -1.2803E+01 3.8933E+00 1.9130E+01 O6 5236 15.999400 -0.847600 5.4893E+00 1.6924E+01 -4.0958E+00 H1 5237 1.008000 0.423800 6.0251E+00 1.7725E+01 -3.8283E+00 H2 5238 1.008000 0.423800 5.7832E+00 1.6132E+01 -3.5602E+00 O6 5239 15.999400 -0.847600 1.0823E+01 -6.3436E+00 9.8804E+00 H1 5240 1.008000 0.423800 9.9509E+00 -6.2438E+00 9.4010E+00 H2 5241 1.008000 0.423800 1.0879E+01 -5.6662E+00 1.0614E+01 O6 5242 15.999400 -0.847600 1.0237E+01 -8.2825E+00 -1.7571E+01 H1 5243 1.008000 0.423800 1.0157E+01 -7.6970E+00 -1.8377E+01 H2 5244 1.008000 0.423800 9.6710E+00 -9.0975E+00 -1.7692E+01 O6 5245 15.999400 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9.5863E+00 -1.7873E+00 1.3286E+01 H2 5262 1.008000 0.423800 9.2518E+00 -1.9400E+00 1.1695E+01 O6 5263 15.999400 -0.847600 7.6122E+00 8.4695E+00 -1.1786E+01 H1 5264 1.008000 0.423800 8.4326E+00 8.6856E+00 -1.1257E+01 H2 5265 1.008000 0.423800 7.0589E+00 9.2953E+00 -1.1895E+01 O6 5266 15.999400 -0.847600 6.4605E+00 -8.2209E+00 -3.8333E+00 H1 5267 1.008000 0.423800 7.3717E+00 -8.5529E+00 -4.0774E+00 H2 5268 1.008000 0.423800 6.3934E+00 -7.2458E+00 -4.0450E+00 O6 5269 15.999400 -0.847600 1.9615E+00 -9.7122E+00 4.3691E+00 H1 5270 1.008000 0.423800 2.4245E+00 -8.8320E+00 4.4735E+00 H2 5271 1.008000 0.423800 2.6307E+00 -1.0452E+01 4.4434E+00 O6 5272 15.999400 -0.847600 6.9833E+00 -7.7508E-01 1.7938E+01 H1 5273 1.008000 0.423800 7.1989E+00 -1.4532E+00 1.8640E+01 H2 5274 1.008000 0.423800 7.2623E+00 1.3194E-01 1.8253E+01 O6 5275 15.999400 -0.847600 -1.5180E+01 -1.2193E+01 -1.5557E+01 H1 5276 1.008000 0.423800 -1.5551E+01 -1.1469E+01 -1.4976E+01 H2 5277 1.008000 0.423800 -1.5845E+01 -1.2936E+01 -1.5630E+01 O6 5278 15.999400 -0.847600 1.8407E+01 -5.0813E+00 6.2963E+00 H1 5279 1.008000 0.423800 1.8900E+01 -4.6759E+00 5.5265E+00 H2 5280 1.008000 0.423800 1.8969E+01 -5.0211E+00 7.1210E+00 O6 5281 15.999400 -0.847600 -1.7922E+01 -1.6381E+01 -1.3586E+01 H1 5282 1.008000 0.423800 -1.8442E+01 -1.7235E+01 -1.3567E+01 H2 5283 1.008000 0.423800 -1.7195E+01 -1.6449E+01 -1.4269E+01 O6 5284 15.999400 -0.847600 -1.9346E+01 -3.6090E+00 9.3151E+00 H1 5285 1.008000 0.423800 1.9399E+01 -3.7467E+00 1.0241E+01 H2 5286 1.008000 0.423800 -1.8950E+01 -4.4635E+00 8.9785E+00 O6 5287 15.999400 -0.847600 5.8796E+00 -1.2511E+01 -1.4743E+01 H1 5288 1.008000 0.423800 5.2189E+00 -1.3191E+01 -1.4425E+01 H2 5289 1.008000 0.423800 6.7186E+00 -1.2972E+01 -1.5033E+01 O6 5290 15.999400 -0.847600 1.7844E+00 -7.5574E+00 -1.3029E+01 H1 5291 1.008000 0.423800 1.2123E+00 -7.3056E+00 -1.3809E+01 H2 5292 1.008000 0.423800 1.6950E+00 -6.8649E+00 -1.2313E+01 O6 5293 15.999400 -0.847600 9.8267E+00 1.8851E+01 -1.1864E+01 H1 5294 1.008000 0.423800 8.9899E+00 1.8550E+01 -1.2321E+01 H2 5295 1.008000 0.423800 9.5928E+00 1.9291E+01 -1.0997E+01 O6 5296 15.999400 -0.847600 8.1708E+00 -2.8243E+00 -7.1551E+00 H1 5297 1.008000 0.423800 8.9335E+00 -3.2525E+00 -6.6703E+00 H2 5298 1.008000 0.423800 7.6380E+00 -2.2706E+00 -6.5153E+00 O6 5299 15.999400 -0.847600 -7.2808E+00 3.0256E+00 -8.1937E+00 H1 5300 1.008000 0.423800 -7.5780E+00 3.1505E+00 -9.1403E+00 H2 5301 1.008000 0.423800 -7.2109E+00 3.9171E+00 -7.7460E+00 O6 5302 15.999400 -0.847600 3.6572E+00 1.2100E+01 7.2748E+00 H1 5303 1.008000 0.423800 3.6629E+00 1.1219E+01 6.8028E+00 H2 5304 1.008000 0.423800 2.8050E+00 1.2582E+01 7.0708E+00 O6 5305 15.999400 -0.847600 -1.1665E+01 -1.8258E+01 -1.4472E+00 H1 5306 1.008000 0.423800 -1.0999E+01 -1.8112E+01 -7.1510E-01 H2 5307 1.008000 0.423800 -1.1612E+01 -1.9206E+01 -1.7617E+00 O6 5308 15.999400 -0.847600 -1.6229E-01 -1.4710E+01 1.8018E+01 H1 5309 1.008000 0.423800 -2.3012E-01 -1.4941E+01 1.8988E+01 H2 5310 1.008000 0.423800 5.8641E-02 -1.5532E+01 1.7494E+01 O6 5311 15.999400 -0.847600 -8.1926E+00 -1.7652E+01 -1.8148E+01 H1 5312 1.008000 0.423800 -7.9724E+00 -1.6818E+01 -1.8654E+01 H2 5313 1.008000 0.423800 -9.1335E+00 -1.7925E+01 -1.8349E+01 O6 5314 15.999400 -0.847600 4.4453E+00 -6.1595E+00 -1.8211E+01 H1 5315 1.008000 0.423800 4.0476E+00 -6.5538E+00 -1.9040E+01 H2 5316 1.008000 0.423800 4.1192E+00 -6.6644E+00 -1.7412E+01 O6 5317 15.999400 -0.847600 -1.4362E+01 9.0058E+00 -3.6786E+00 H1 5318 1.008000 0.423800 -1.4954E+01 8.2918E+00 -3.3050E+00 H2 5319 1.008000 0.423800 -1.4108E+01 8.7712E+00 -4.6169E+00 O6 5320 15.999400 -0.847600 -1.0209E+01 1.8309E+01 -1.2518E+01 H1 5321 1.008000 0.423800 -1.0978E+01 1.7673E+01 -1.2451E+01 H2 5322 1.008000 0.423800 -9.8993E+00 1.8358E+01 -1.3467E+01 O6 5323 15.999400 -0.847600 -2.4560E+00 6.6226E+00 -1.2152E+00 H1 5324 1.008000 0.423800 -2.7294E+00 6.7168E+00 -2.5787E-01 H2 5325 1.008000 0.423800 -2.2765E+00 7.5274E+00 -1.6011E+00 O6 5326 15.999400 -0.847600 -1.1456E+01 -3.4444E+00 -9.6301E+00 H1 5327 1.008000 0.423800 -1.0666E+01 -3.0793E+00 -1.0121E+01 H2 5328 1.008000 0.423800 -1.2272E+01 -2.9191E+00 -9.8737E+00 O6 5329 15.999400 -0.847600 8.4986E+00 -1.2424E+01 2.9966E+00 H1 5330 1.008000 0.423800 8.8238E+00 -1.1548E+01 2.6397E+00 H2 5331 1.008000 0.423800 8.3693E+00 -1.2353E+01 3.9857E+00 O6 5332 15.999400 -0.847600 -2.5619E+00 8.8762E+00 7.4450E+00 H1 5333 1.008000 0.423800 -2.3547E+00 9.7191E+00 6.9485E+00 H2 5334 1.008000 0.423800 -1.8020E+00 8.2342E+00 7.3435E+00 O6 5335 15.999400 -0.847600 1.9160E+01 -1.6841E+00 7.1926E+00 H1 5336 1.008000 0.423800 1.8295E+01 -1.3718E+00 6.8005E+00 H2 5337 1.008000 0.423800 1.9020E+01 -2.5595E+00 7.6552E+00 O6 5338 15.999400 -0.847600 -1.6009E+01 4.6544E+00 -9.1243E-01 H1 5339 1.008000 0.423800 -1.5478E+01 4.7866E+00 -1.7491E+00 H2 5340 1.008000 0.423800 -1.5971E+01 5.4862E+00 -3.5867E-01 O6 5341 15.999400 -0.847600 -1.7912E+01 -1.9487E+01 -6.4589E+00 H1 5342 1.008000 0.423800 -1.7769E+01 1.9228E+01 -5.5459E+00 H2 5343 1.008000 0.423800 -1.7789E+01 -1.8495E+01 -6.4280E+00 O6 5344 15.999400 -0.847600 -1.5905E+01 -6.9435E+00 -1.1723E+01 H1 5345 1.008000 0.423800 -1.5500E+01 -7.6833E+00 -1.1186E+01 H2 5346 1.008000 0.423800 -1.6183E+01 -7.2947E+00 -1.2617E+01 O6 5347 15.999400 -0.847600 1.3536E+01 7.6225E+00 -1.7941E+01 H1 5348 1.008000 0.423800 1.4225E+01 6.9615E+00 -1.8238E+01 H2 5349 1.008000 0.423800 1.2747E+01 7.5803E+00 -1.8554E+01 O6 5350 15.999400 -0.847600 -1.2117E+01 -1.3485E+01 -1.0257E+01 H1 5351 1.008000 0.423800 -1.2701E+01 -1.4240E+01 -1.0556E+01 H2 5352 1.008000 0.423800 -1.2243E+01 -1.3334E+01 -9.2762E+00 O6 5353 15.999400 -0.847600 1.3692E+01 -1.3993E+01 9.9681E+00 H1 5354 1.008000 0.423800 1.3595E+01 -1.3296E+01 9.2581E+00 H2 5355 1.008000 0.423800 1.3871E+01 -1.3551E+01 1.0847E+01 O6 5356 15.999400 -0.847600 5.2946E+00 1.9526E+01 5.5996E+00 H1 5357 1.008000 0.423800 5.9222E+00 -1.8919E+01 5.1749E+00 H2 5358 1.008000 0.423800 4.5368E+00 1.9337E+01 4.9750E+00 O6 5359 15.999400 -0.847600 2.3298E+00 1.6171E+01 1.2028E+01 H1 5360 1.008000 0.423800 2.5432E+00 1.7142E+01 1.1916E+01 H2 5361 1.008000 0.423800 2.9443E+00 1.5771E+01 1.2708E+01 O6 5362 15.999400 -0.847600 1.4974E+01 -1.7631E+01 1.1244E+01 H1 5363 1.008000 0.423800 1.5626E+01 -1.7176E+01 1.0638E+01 H2 5364 1.008000 0.423800 1.4295E+01 -1.8120E+01 1.0696E+01 O6 5365 15.999400 -0.847600 -8.4616E+00 -1.7638E+01 2.2201E+00 H1 5366 1.008000 0.423800 -8.6173E+00 -1.8496E+01 2.7104E+00 H2 5367 1.008000 0.423800 -7.4808E+00 -1.7446E+01 2.1883E+00 O6 5368 15.999400 -0.847600 8.5103E+00 1.3338E+01 2.7397E+00 H1 5369 1.008000 0.423800 8.3779E+00 1.3180E+01 3.7182E+00 H2 5370 1.008000 0.423800 9.1095E+00 1.4127E+01 2.6076E+00 O6 5371 15.999400 -0.847600 -1.8830E+01 -2.3181E+00 -8.5299E+00 H1 5372 1.008000 0.423800 -1.8393E+01 -1.6084E+00 -7.9768E+00 H2 5373 1.008000 0.423800 -1.9390E+01 -1.8902E+00 -9.2389E+00 O6 5374 15.999400 -0.847600 1.4889E+01 -2.0960E+00 -1.4328E+01 H1 5375 1.008000 0.423800 1.5252E+01 -1.3734E+00 -1.4917E+01 H2 5376 1.008000 0.423800 1.3918E+01 -2.2296E+00 -1.4525E+01 O6 5377 15.999400 -0.847600 2.3851E+00 1.0316E+01 1.8801E+01 H1 5378 1.008000 0.423800 2.8394E+00 9.7076E+00 1.8150E+01 H2 5379 1.008000 0.423800 2.9612E+00 1.1116E+01 1.8967E+01 O6 5380 15.999400 -0.847600 1.0089E+01 1.1072E+01 1.2468E+01 H1 5381 1.008000 0.423800 1.0718E+01 1.1831E+01 1.2300E+01 H2 5382 1.008000 0.423800 9.6396E+00 1.0816E+01 1.1612E+01 O6 5383 15.999400 -0.847600 1.2507E+01 1.0455E+01 -1.1367E+01 H1 5384 1.008000 0.423800 1.3423E+01 1.0154E+01 -1.1101E+01 H2 5385 1.008000 0.423800 1.2372E+01 1.0289E+01 -1.2344E+01 O6 5386 15.999400 -0.847600 -1.9115E+01 -8.3699E+00 9.3863E+00 H1 5387 1.008000 0.423800 1.9137E+01 -8.7412E+00 9.7700E+00 H2 5388 1.008000 0.423800 -1.8669E+01 -9.0678E+00 8.8262E+00 O6 5389 15.999400 -0.847600 -1.3690E+01 1.2623E+01 1.8406E+01 H1 5390 1.008000 0.423800 -1.3112E+01 1.2276E+01 1.9145E+01 H2 5391 1.008000 0.423800 -1.4197E+01 1.3423E+01 1.8727E+01 O6 5392 15.999400 -0.847600 -1.5514E+01 -5.0314E+00 -5.4805E+00 H1 5393 1.008000 0.423800 -1.5480E+01 -5.1367E+00 -4.4867E+00 H2 5394 1.008000 0.423800 -1.4605E+01 -5.1960E+00 -5.8642E+00 O6 5395 15.999400 -0.847600 7.5713E-01 3.8916E+00 5.4990E+00 H1 5396 1.008000 0.423800 1.4238E-01 3.1136E+00 5.3693E+00 H2 5397 1.008000 0.423800 1.6753E+00 3.6462E+00 5.1880E+00 O6 5398 15.999400 -0.847600 9.7049E+00 1.5735E+01 1.7603E+01 H1 5399 1.008000 0.423800 9.4236E+00 1.5919E+01 1.6661E+01 H2 5400 1.008000 0.423800 9.4984E+00 1.4784E+01 1.7832E+01 O6 5401 15.999400 -0.847600 6.5905E+00 7.5067E+00 -8.6806E+00 H1 5402 1.008000 0.423800 6.8148E+00 7.3047E+00 -7.7272E+00 H2 5403 1.008000 0.423800 6.3023E+00 8.4610E+00 -8.7602E+00 O6 5404 15.999400 -0.847600 3.4113E+00 7.1552E+00 1.6928E+01 H1 5405 1.008000 0.423800 2.9269E+00 6.5488E+00 1.7559E+01 H2 5406 1.008000 0.423800 2.7480E+00 7.6846E+00 1.6399E+01 O6 5407 15.999400 -0.847600 2.0645E+00 -6.1408E+00 1.2747E+01 H1 5408 1.008000 0.423800 1.9213E+00 -6.8533E+00 1.3434E+01 H2 5409 1.008000 0.423800 1.1796E+00 -5.8279E+00 1.2402E+01 O6 5410 15.999400 -0.847600 1.5446E+01 1.5684E-02 -1.1066E+01 H1 5411 1.008000 0.423800 1.5167E+01 4.3967E-01 -1.0205E+01 H2 5412 1.008000 0.423800 1.5486E+01 7.1198E-01 -1.1783E+01 O6 5413 15.999400 -0.847600 6.7327E+00 -1.7721E+01 4.4681E+00 H1 5414 1.008000 0.423800 7.2979E+00 -1.7375E+01 3.7193E+00 H2 5415 1.008000 0.423800 6.4187E+00 -1.6956E+01 5.0300E+00 O6 5416 15.999400 -0.847600 -1.1287E+01 9.2119E+00 1.3380E+00 H1 5417 1.008000 0.423800 -1.0850E+01 9.5538E+00 5.0603E-01 H2 5418 1.008000 0.423800 -1.2170E+01 9.6648E+00 1.4608E+00 O6 5419 15.999400 -0.847600 1.6070E+01 9.7877E+00 -1.5169E+01 H1 5420 1.008000 0.423800 1.6943E+01 9.5568E+00 -1.5599E+01 H2 5421 1.008000 0.423800 1.6195E+01 1.0574E+01 -1.4564E+01 O6 5422 15.999400 -0.847600 1.1899E+01 8.0241E+00 -5.1503E+00 H1 5423 1.008000 0.423800 1.1516E+01 8.6483E+00 -4.4689E+00 H2 5424 1.008000 0.423800 1.1206E+01 7.8209E+00 -5.8419E+00 O6 5425 15.999400 -0.847600 3.1096E+00 -1.7385E+01 8.2930E+00 H1 5426 1.008000 0.423800 3.1314E+00 -1.6672E+01 8.9936E+00 H2 5427 1.008000 0.423800 3.9923E+00 -1.7854E+01 8.2675E+00 O6 5428 15.999400 -0.847600 1.2052E+01 -1.4491E+01 -2.9722E+00 H1 5429 1.008000 0.423800 1.2677E+01 -1.3719E+01 -3.0923E+00 H2 5430 1.008000 0.423800 1.2493E+01 -1.5192E+01 -2.4118E+00 O6 5431 15.999400 -0.847600 -1.4324E+01 -1.6073E+01 8.3536E+00 H1 5432 1.008000 0.423800 -1.3732E+01 -1.5471E+01 8.8898E+00 H2 5433 1.008000 0.423800 -1.4738E+01 -1.5554E+01 7.6065E+00 O6 5434 15.999400 -0.847600 -1.9178E+01 1.2110E+01 9.0109E+00 H1 5435 1.008000 0.423800 -1.8709E+01 1.1568E+01 9.7084E+00 H2 5436 1.008000 0.423800 -1.8513E+01 1.2434E+01 8.3379E+00 O6 5437 15.999400 -0.847600 3.3232E-01 -6.9151E+00 -1.5625E+01 H1 5438 1.008000 0.423800 -5.3898E-03 -6.0203E+00 -1.5917E+01 H2 5439 1.008000 0.423800 -4.4226E-01 -7.5081E+00 -1.5405E+01 O6 5440 15.999400 -0.847600 1.7977E+01 1.0719E+01 7.3255E+00 H1 5441 1.008000 0.423800 1.8483E+01 1.1575E+01 7.4330E+00 H2 5442 1.008000 0.423800 1.8378E+01 1.0018E+01 7.9153E+00 O6 5443 15.999400 -0.847600 -8.8138E+00 1.0419E+01 -1.0170E+01 H1 5444 1.008000 0.423800 -8.2546E+00 9.6771E+00 -9.7995E+00 H2 5445 1.008000 0.423800 -9.3651E+00 1.0818E+01 -9.4374E+00 O6 5446 15.999400 -0.847600 3.3973E+00 -6.2503E+00 -8.4411E+00 H1 5447 1.008000 0.423800 4.2989E+00 -5.8666E+00 -8.2413E+00 H2 5448 1.008000 0.423800 3.3856E+00 -7.2195E+00 -8.1949E+00 O6 5449 15.999400 -0.847600 9.5582E+00 -7.1586E+00 1.9018E+01 H1 5450 1.008000 0.423800 9.5476E+00 -6.1765E+00 1.8830E+01 H2 5451 1.008000 0.423800 8.6438E+00 -7.5358E+00 1.8872E+01 O6 5452 15.999400 -0.847600 1.6239E+01 1.3504E+01 1.2046E+01 H1 5453 1.008000 0.423800 1.5384E+01 1.3757E+01 1.1592E+01 H2 5454 1.008000 0.423800 1.6985E+01 1.4065E+01 1.1687E+01 O6 5455 15.999400 -0.847600 3.3494E+00 1.1715E+01 2.5655E+00 H1 5456 1.008000 0.423800 3.8560E+00 1.2536E+01 2.3003E+00 H2 5457 1.008000 0.423800 3.1604E+00 1.1163E+01 1.7533E+00 O6 5458 15.999400 -0.847600 -6.6921E+00 -1.8449E+01 1.8597E+01 H1 5459 1.008000 0.423800 -7.2304E+00 -1.7973E+01 1.9293E+01 H2 5460 1.008000 0.423800 -7.3067E+00 -1.8865E+01 1.7927E+01 O6 5461 15.999400 -0.847600 -2.5344E+00 -1.4076E+01 -1.3773E+01 H1 5462 1.008000 0.423800 -3.0956E+00 -1.3482E+01 -1.4350E+01 H2 5463 1.008000 0.423800 -1.7986E+00 -1.3539E+01 -1.3360E+01 O6 5464 15.999400 -0.847600 -2.8273E+00 -1.0183E+01 -2.5068E+00 H1 5465 1.008000 0.423800 -3.1627E+00 -1.1007E+01 -2.0497E+00 H2 5466 1.008000 0.423800 -2.0314E+00 -1.0413E+01 -3.0667E+00 O6 5467 15.999400 -0.847600 -5.3718E+00 -7.6283E+00 1.0417E+01 H1 5468 1.008000 0.423800 -5.6941E+00 -8.5748E+00 1.0397E+01 H2 5469 1.008000 0.423800 -5.3435E+00 -7.3051E+00 1.1362E+01 O6 5470 15.999400 -0.847600 1.7991E+01 1.5233E+00 9.7942E-01 H1 5471 1.008000 0.423800 1.7237E+01 1.2739E+00 1.5872E+00 H2 5472 1.008000 0.423800 1.8244E+01 7.3358E-01 4.2056E-01 O6 5473 15.999400 -0.847600 -3.4573E+00 1.7756E+01 3.6273E+00 H1 5474 1.008000 0.423800 -2.8141E+00 1.8418E+01 3.2424E+00 H2 5475 1.008000 0.423800 -4.3518E+00 1.7870E+01 3.1949E+00 O6 5476 15.999400 -0.847600 -1.5482E+01 5.0997E+00 1.4916E+01 H1 5477 1.008000 0.423800 -1.5620E+01 4.6415E+00 1.5794E+01 H2 5478 1.008000 0.423800 -1.6310E+01 5.6009E+00 1.4667E+01 O6 5479 15.999400 -0.847600 -8.8372E+00 -2.3570E+00 -1.6845E+01 H1 5480 1.008000 0.423800 -9.2492E+00 -2.5638E+00 -1.5957E+01 H2 5481 1.008000 0.423800 -8.7228E+00 -3.2037E+00 -1.7365E+01 O6 5482 15.999400 -0.847600 7.4311E+00 1.9321E+01 -2.4947E+00 H1 5483 1.008000 0.423800 6.7947E+00 -1.9535E+01 -1.7624E+00 H2 5484 1.008000 0.423800 8.0727E+00 1.8629E+01 -2.1631E+00 O6 5485 15.999400 -0.847600 1.4417E+01 -5.6139E+00 -6.7394E+00 H1 5486 1.008000 0.423800 1.4686E+01 -5.5814E+00 -5.7769E+00 H2 5487 1.008000 0.423800 1.5185E+01 -5.3243E+00 -7.3103E+00 O6 5488 15.999400 -0.847600 2.9514E+00 1.5122E+01 1.7627E+01 H1 5489 1.008000 0.423800 3.8961E+00 1.5379E+01 1.7423E+01 H2 5490 1.008000 0.423800 2.9259E+00 1.4591E+01 1.8474E+01 O6 5491 15.999400 -0.847600 3.7505E+00 -4.3507E+00 -2.7331E+00 H1 5492 1.008000 0.423800 3.1494E+00 -4.5929E+00 -1.9715E+00 H2 5493 1.008000 0.423800 3.7023E+00 -5.0615E+00 -3.4348E+00 O6 5494 15.999400 -0.847600 -4.3298E+00 -1.0993E+01 -1.8827E+01 H1 5495 1.008000 0.423800 -3.4571E+00 -1.0919E+01 -1.8344E+01 H2 5496 1.008000 0.423800 -4.1749E+00 -1.0904E+01 1.9287E+01 O6 5497 15.999400 -0.847600 -7.2283E+00 -1.0333E+01 -1.1706E+01 H1 5498 1.008000 0.423800 -7.6361E+00 -9.6373E+00 -1.1115E+01 H2 5499 1.008000 0.423800 -7.9514E+00 -1.0817E+01 -1.2199E+01 O6 5500 15.999400 -0.847600 8.6474E+00 1.3072E+01 1.7786E+01 H1 5501 1.008000 0.423800 7.9611E+00 1.3181E+01 1.7067E+01 H2 5502 1.008000 0.423800 9.5177E+00 1.2797E+01 1.7377E+01 O6 5503 15.999400 -0.847600 -1.2575E+01 1.3726E+01 1.4308E+01 H1 5504 1.008000 0.423800 -1.2700E+01 1.2851E+01 1.4776E+01 H2 5505 1.008000 0.423800 -1.1606E+01 1.3973E+01 1.4317E+01 O6 5506 15.999400 -0.847600 9.5647E+00 -9.6053E+00 2.5664E+00 H1 5507 1.008000 0.423800 9.1809E+00 -8.8360E+00 3.0771E+00 H2 5508 1.008000 0.423800 1.0550E+01 -9.4728E+00 2.4544E+00 O6 5509 15.999400 -0.847600 1.7712E+01 -1.6648E+01 4.4489E+00 H1 5510 1.008000 0.423800 1.7518E+01 -1.7351E+01 3.7645E+00 H2 5511 1.008000 0.423800 1.7904E+01 -1.5781E+01 3.9903E+00 O6 5512 15.999400 -0.847600 -8.7616E+00 -1.4800E+01 1.3640E+01 H1 5513 1.008000 0.423800 -9.1718E+00 -1.3972E+01 1.4024E+01 H2 5514 1.008000 0.423800 -7.7797E+00 -1.4658E+01 1.3515E+01 O6 5515 15.999400 -0.847600 1.6258E+01 -5.7098E+00 -1.0686E+01 H1 5516 1.008000 0.423800 1.6282E+01 -6.0316E+00 -1.1633E+01 H2 5517 1.008000 0.423800 1.5964E+01 -6.4551E+00 -1.0088E+01 O6 5518 15.999400 -0.847600 -5.4724E+00 -1.3187E+01 -1.7945E+01 H1 5519 1.008000 0.423800 -4.9082E+00 -1.2390E+01 -1.8159E+01 H2 5520 1.008000 0.423800 -5.1641E+00 -1.3592E+01 -1.7084E+01 O6 5521 15.999400 -0.847600 5.1255E+00 5.2938E+00 1.4232E+01 H1 5522 1.008000 0.423800 4.3090E+00 5.2954E+00 1.4810E+01 H2 5523 1.008000 0.423800 5.6276E+00 4.4396E+00 1.4368E+01 O6 5524 15.999400 -0.847600 -8.1084E+00 -1.5618E+01 -1.5700E+01 H1 5525 1.008000 0.423800 -8.2358E+00 -1.5614E+01 -1.6692E+01 H2 5526 1.008000 0.423800 -8.0344E+00 -1.6561E+01 -1.5377E+01 O6 5527 15.999400 -0.847600 -1.1865E+00 1.3520E+01 -1.6145E+01 H1 5528 1.008000 0.423800 -1.9299E+00 1.3660E+01 -1.5491E+01 H2 5529 1.008000 0.423800 -1.5207E+00 1.3692E+01 -1.7072E+01 O6 5530 15.999400 -0.847600 -1.3576E+01 -4.2426E+00 -1.1797E+01 H1 5531 1.008000 0.423800 -1.3709E+01 -4.6258E+00 -1.0883E+01 H2 5532 1.008000 0.423800 -1.4130E+01 -4.7520E+00 -1.2456E+01 O6 5533 15.999400 -0.847600 6.6685E+00 -1.0426E+01 5.4190E+00 H1 5534 1.008000 0.423800 6.4373E+00 -1.0004E+01 4.5422E+00 H2 5535 1.008000 0.423800 6.1912E+00 -1.1301E+01 5.5042E+00 O6 5536 15.999400 -0.847600 -6.2688E+00 1.5850E+01 -6.1047E+00 H1 5537 1.008000 0.423800 -6.3653E+00 1.5225E+01 -6.8789E+00 H2 5538 1.008000 0.423800 -5.4908E+00 1.6458E+01 -6.2624E+00 O6 5539 15.999400 -0.847600 1.5813E+00 2.8279E+00 -4.8087E+00 H1 5540 1.008000 0.423800 2.3171E+00 2.8782E+00 -4.1332E+00 H2 5541 1.008000 0.423800 7.1625E-01 2.6355E+00 -4.3455E+00 O6 5542 15.999400 -0.847600 1.8214E+01 -3.4641E+00 1.1586E+01 H1 5543 1.008000 0.423800 1.8176E+01 -3.2057E+00 1.2551E+01 H2 5544 1.008000 0.423800 1.7426E+01 -4.0383E+00 1.1363E+01 O6 5545 15.999400 -0.847600 -1.0576E+01 7.5566E+00 8.6071E+00 H1 5546 1.008000 0.423800 -9.8997E+00 6.9656E+00 8.1666E+00 H2 5547 1.008000 0.423800 -1.1329E+01 7.7310E+00 7.9734E+00 O6 5548 15.999400 -0.847600 1.3661E+01 -1.0586E+01 1.5594E+01 H1 5549 1.008000 0.423800 1.3021E+01 -1.0251E+01 1.4903E+01 H2 5550 1.008000 0.423800 1.3449E+01 -1.1539E+01 1.5811E+01 O6 5551 15.999400 -0.847600 8.2752E+00 -1.9210E+01 1.4049E+01 H1 5552 1.008000 0.423800 8.1495E+00 -1.8824E+01 1.3135E+01 H2 5553 1.008000 0.423800 8.0319E+00 -1.8526E+01 1.4736E+01 O6 5554 15.999400 -0.847600 -3.7034E+00 1.2619E+01 4.9017E+00 H1 5555 1.008000 0.423800 -4.5529E+00 1.2364E+01 4.4394E+00 H2 5556 1.008000 0.423800 -3.2496E+00 1.3347E+01 4.3878E+00 O6 5557 15.999400 -0.847600 -8.6758E+00 1.4725E+01 -4.2956E+00 H1 5558 1.008000 0.423800 -8.2848E+00 1.5131E+01 -3.4696E+00 H2 5559 1.008000 0.423800 -8.4258E+00 1.5279E+01 -5.0897E+00 O6 5560 15.999400 -0.847600 -3.0732E+00 1.3632E+01 -1.3733E+01 H1 5561 1.008000 0.423800 -2.3375E+00 1.3077E+01 -1.3345E+01 H2 5562 1.008000 0.423800 -3.8713E+00 1.3055E+01 -1.3905E+01 O6 5563 15.999400 -0.847600 -7.2618E+00 1.5515E+01 8.7987E-02 H1 5564 1.008000 0.423800 -7.2226E+00 1.6449E+01 -2.6733E-01 H2 5565 1.008000 0.423800 -6.9956E+00 1.4874E+01 -6.3134E-01 O6 5566 15.999400 -0.847600 7.0112E+00 -8.2755E+00 1.8624E+01 H1 5567 1.008000 0.423800 6.4349E+00 -8.5279E+00 1.9402E+01 H2 5568 1.008000 0.423800 6.8463E+00 -8.9082E+00 1.7868E+01 O6 5569 15.999400 -0.847600 1.2613E+01 1.4429E+00 6.1972E+00 H1 5570 1.008000 0.423800 1.3112E+01 2.2145E+00 6.5908E+00 H2 5571 1.008000 0.423800 1.3075E+01 1.1361E+00 5.3652E+00 O6 5572 15.999400 -0.847600 9.5405E-01 -1.0534E+01 -6.9275E+00 H1 5573 1.008000 0.423800 2.4274E-01 -1.0036E+01 -7.4240E+00 H2 5574 1.008000 0.423800 1.2709E+00 -1.1304E+01 -7.4815E+00 O6 5575 15.999400 -0.847600 1.7701E+01 -1.6386E+01 -1.5145E+01 H1 5576 1.008000 0.423800 1.8509E+01 -1.5823E+01 -1.5322E+01 H2 5577 1.008000 0.423800 1.7960E+01 -1.7172E+01 -1.4582E+01 O6 5578 15.999400 -0.847600 6.9821E-01 1.8763E+01 -3.8226E+00 H1 5579 1.008000 0.423800 3.6503E-01 1.7877E+01 -3.5008E+00 H2 5580 1.008000 0.423800 5.3468E-01 1.9456E+01 -3.1200E+00 O6 5581 15.999400 -0.847600 9.5471E+00 -3.3364E+00 5.8277E-01 H1 5582 1.008000 0.423800 9.5684E+00 -3.3651E+00 1.5822E+00 H2 5583 1.008000 0.423800 9.2478E+00 -4.2231E+00 2.3026E-01 O6 5584 15.999400 -0.847600 -1.7156E+01 -5.9033E+00 -2.5235E+00 H1 5585 1.008000 0.423800 -1.6218E+01 -5.6693E+00 -2.2694E+00 H2 5586 1.008000 0.423800 -1.7176E+01 -6.8241E+00 -2.9131E+00 O6 5587 15.999400 -0.847600 -5.5762E+00 4.2438E+00 -4.6685E+00 H1 5588 1.008000 0.423800 -5.9911E+00 3.8670E+00 -3.8402E+00 H2 5589 1.008000 0.423800 -5.2068E+00 3.4993E+00 -5.2245E+00 O6 5590 15.999400 -0.847600 7.6983E-01 -1.0480E+01 -1.3999E+01 H1 5591 1.008000 0.423800 2.8481E-01 -1.0107E+01 -1.4790E+01 H2 5592 1.008000 0.423800 1.6460E+00 -1.0009E+01 -1.3894E+01 O6 5593 15.999400 -0.847600 -5.2764E+00 1.4935E+01 1.7331E+00 H1 5594 1.008000 0.423800 -5.3377E+00 1.3939E+01 1.6603E+00 H2 5595 1.008000 0.423800 -5.9870E+00 1.5355E+01 1.1684E+00 O6 5596 15.999400 -0.847600 -1.5012E+01 -1.3621E+01 1.0508E+00 H1 5597 1.008000 0.423800 -1.5296E+01 -1.4467E+01 1.5008E+00 H2 5598 1.008000 0.423800 -1.4305E+01 -1.3824E+01 3.7348E-01 O6 5599 15.999400 -0.847600 1.7851E+01 -6.7932E+00 1.1370E+01 H1 5600 1.008000 0.423800 1.7812E+01 -7.7383E+00 1.1046E+01 H2 5601 1.008000 0.423800 1.8158E+01 -6.7799E+00 1.2322E+01 O6 5602 15.999400 -0.847600 7.2847E+00 1.0044E+01 7.8537E+00 H1 5603 1.008000 0.423800 6.5227E+00 9.6008E+00 8.3261E+00 H2 5604 1.008000 0.423800 7.8552E+00 9.3483E+00 7.4167E+00 O6 5605 15.999400 -0.847600 -3.1317E+00 -1.8261E+00 1.7252E+01 H1 5606 1.008000 0.423800 -2.2969E+00 -1.2998E+00 1.7414E+01 H2 5607 1.008000 0.423800 -3.8585E+00 -1.4910E+00 1.7852E+01 O6 5608 15.999400 -0.847600 -1.4490E+01 1.6230E+00 1.3118E+01 H1 5609 1.008000 0.423800 -1.3753E+01 1.0500E+00 1.2761E+01 H2 5610 1.008000 0.423800 -1.4144E+01 2.5457E+00 1.3286E+01 O6 5611 15.999400 -0.847600 -1.7432E+00 4.9174E+00 9.1848E+00 H1 5612 1.008000 0.423800 -2.1388E+00 5.2806E+00 1.0028E+01 H2 5613 1.008000 0.423800 -2.0653E+00 3.9816E+00 9.0417E+00 O6 5614 15.999400 -0.847600 1.8321E+01 -3.2704E+00 -6.7414E+00 H1 5615 1.008000 0.423800 1.7496E+01 -3.6350E+00 -7.1719E+00 H2 5616 1.008000 0.423800 1.8998E+01 -3.0567E+00 -7.4459E+00 O6 5617 15.999400 -0.847600 -1.3002E+01 -6.8252E+00 -1.3088E+01 H1 5618 1.008000 0.423800 -1.3619E+01 -6.1808E+00 -1.3540E+01 H2 5619 1.008000 0.423800 -1.2429E+01 -6.3339E+00 -1.2432E+01 O6 5620 15.999400 -0.847600 9.0094E+00 2.8170E+00 -6.3422E+00 H1 5621 1.008000 0.423800 8.1413E+00 2.5438E+00 -5.9278E+00 H2 5622 1.008000 0.423800 8.8403E+00 3.1916E+00 -7.2538E+00 O6 5623 15.999400 -0.847600 -4.0634E+00 1.3668E+01 -6.9448E+00 H1 5624 1.008000 0.423800 -3.2056E+00 1.3156E+01 -6.8958E+00 H2 5625 1.008000 0.423800 -4.6116E+00 1.3478E+01 -6.1302E+00 O6 5626 15.999400 -0.847600 1.4737E+01 1.7602E+01 -9.4957E+00 H1 5627 1.008000 0.423800 1.4565E+01 1.6653E+01 -9.2302E+00 H2 5628 1.008000 0.423800 1.3867E+01 1.8089E+01 -9.5720E+00 O6 5629 15.999400 -0.847600 1.2781E+01 -1.5713E+01 -1.6965E+01 H1 5630 1.008000 0.423800 1.3487E+01 -1.6322E+01 -1.6604E+01 H2 5631 1.008000 0.423800 1.3101E+01 -1.4766E+01 -1.6919E+01 O6 5632 15.999400 -0.847600 -9.9024E+00 1.2365E+01 1.7552E+01 H1 5633 1.008000 0.423800 -1.0291E+01 1.2603E+01 1.6662E+01 H2 5634 1.008000 0.423800 -9.7358E+00 1.3199E+01 1.8077E+01 O6 5635 15.999400 -0.847600 1.2157E+01 -7.0650E+00 -1.3454E+01 H1 5636 1.008000 0.423800 1.2609E+01 -6.2231E+00 -1.3159E+01 H2 5637 1.008000 0.423800 1.2457E+01 -7.8243E+00 -1.2877E+01 O6 5638 15.999400 -0.847600 -4.3549E+00 -1.2613E+01 -1.5180E+01 H1 5639 1.008000 0.423800 -5.0049E+00 -1.3218E+01 -1.4721E+01 H2 5640 1.008000 0.423800 -4.6548E+00 -1.1664E+01 -1.5080E+01 O6 5641 15.999400 -0.847600 -5.7323E-02 1.0769E+01 1.5120E+01 H1 5642 1.008000 0.423800 2.4498E-01 1.0939E+01 1.4182E+01 H2 5643 1.008000 0.423800 3.2252E-01 1.1469E+01 1.5725E+01 O6 5644 15.999400 -0.847600 1.0326E+01 5.3755E+00 1.2605E+01 H1 5645 1.008000 0.423800 9.3287E+00 5.4529E+00 1.2615E+01 H2 5646 1.008000 0.423800 1.0730E+01 6.2888E+00 1.2558E+01 O6 5647 15.999400 -0.847600 6.7029E+00 1.3772E+01 1.5868E+01 H1 5648 1.008000 0.423800 6.5711E+00 1.2832E+01 1.5551E+01 H2 5649 1.008000 0.423800 7.1333E+00 1.4310E+01 1.5144E+01 O6 5650 15.999400 -0.847600 6.8311E-01 -1.5706E+00 1.0769E+01 H1 5651 1.008000 0.423800 1.3250E+00 -8.3508E-01 1.0986E+01 H2 5652 1.008000 0.423800 -8.7047E-02 -1.5395E+00 1.1406E+01 O6 5653 15.999400 -0.847600 -1.3869E+01 1.0552E+01 -8.6686E+00 H1 5654 1.008000 0.423800 -1.4271E+01 1.0246E+01 -7.8053E+00 H2 5655 1.008000 0.423800 -1.3450E+01 1.1451E+01 -8.5410E+00 O6 5656 15.999400 -0.847600 -1.1249E+01 -1.2340E+01 1.1635E+01 H1 5657 1.008000 0.423800 -1.1895E+01 -1.2652E+01 1.2332E+01 H2 5658 1.008000 0.423800 -1.1586E+01 -1.1495E+01 1.1222E+01 O6 5659 15.999400 -0.847600 -1.8065E+01 1.8402E+01 1.8017E+01 H1 5660 1.008000 0.423800 -1.8068E+01 1.7511E+01 1.8472E+01 H2 5661 1.008000 0.423800 -1.7153E+01 1.8805E+01 1.8080E+01 O6 5662 15.999400 -0.847600 7.0985E+00 -8.7211E+00 7.4616E+00 H1 5663 1.008000 0.423800 7.0435E+00 -9.1141E+00 6.5437E+00 H2 5664 1.008000 0.423800 7.1349E+00 -9.4571E+00 8.1376E+00 O6 5665 15.999400 -0.847600 1.1586E+01 -4.9506E+00 1.1852E+01 H1 5666 1.008000 0.423800 1.1776E+01 -4.1001E+00 1.1362E+01 H2 5667 1.008000 0.423800 1.2036E+01 -4.9291E+00 1.2745E+01 O6 5668 15.999400 -0.847600 1.0025E+01 -3.4963E-01 -1.5193E+01 H1 5669 1.008000 0.423800 1.0818E+01 -9.2956E-01 -1.5006E+01 H2 5670 1.008000 0.423800 9.6362E+00 -2.8961E-02 -1.4329E+01 O6 5671 15.999400 -0.847600 -6.7548E+00 1.2205E+01 1.8587E+01 H1 5672 1.008000 0.423800 -6.7443E+00 1.3017E+01 1.8003E+01 H2 5673 1.008000 0.423800 -7.1091E+00 1.2447E+01 1.9490E+01 O6 5674 15.999400 -0.847600 1.7557E+01 1.7871E+01 1.2396E+01 H1 5675 1.008000 0.423800 1.6623E+01 1.8016E+01 1.2721E+01 H2 5676 1.008000 0.423800 1.7614E+01 1.8115E+01 1.1427E+01 O6 5677 15.999400 -0.847600 -1.8878E+01 -1.0392E+01 7.7680E+00 H1 5678 1.008000 0.423800 1.9411E+01 -1.0287E+01 7.1897E+00 H2 5679 1.008000 0.423800 -1.8330E+01 -1.1161E+01 7.4394E+00 O6 5680 15.999400 -0.847600 -4.4850E+00 -1.5835E+01 4.7353E-01 H1 5681 1.008000 0.423800 -3.6404E+00 -1.5729E+01 -5.1285E-02 H2 5682 1.008000 0.423800 -4.5612E+00 -1.5090E+01 1.1364E+00 O6 5683 15.999400 -0.847600 9.5075E+00 -1.6677E+01 9.6629E+00 H1 5684 1.008000 0.423800 9.9401E+00 -1.5928E+01 1.0165E+01 H2 5685 1.008000 0.423800 1.0152E+01 -1.7436E+01 9.5758E+00 O6 5686 15.999400 -0.847600 3.5275E+00 -1.1212E+01 -1.6064E+01 H1 5687 1.008000 0.423800 4.4329E+00 -1.1634E+01 -1.6107E+01 H2 5688 1.008000 0.423800 3.5060E+00 -1.0544E+01 -1.5320E+01 O6 5689 15.999400 -0.847600 -7.3039E+00 1.0291E+01 5.6606E+00 H1 5690 1.008000 0.423800 -6.6871E+00 1.0588E+01 6.3893E+00 H2 5691 1.008000 0.423800 -7.0710E+00 1.0766E+01 4.8120E+00 O6 5692 15.999400 -0.847600 1.6125E+01 -1.5756E+01 -7.7409E+00 H1 5693 1.008000 0.423800 1.5256E+01 -1.5633E+01 -7.2623E+00 H2 5694 1.008000 0.423800 1.6114E+01 -1.5232E+01 -8.5924E+00 O6 5695 15.999400 -0.847600 7.3947E-01 1.3023E+01 1.1826E-01 H1 5696 1.008000 0.423800 9.1298E-02 1.3704E+01 -2.2371E-01 H2 5697 1.008000 0.423800 1.6159E+00 1.3465E+01 3.1026E-01 O6 5698 15.999400 -0.847600 -1.8565E+01 5.3123E+00 -1.7141E+01 H1 5699 1.008000 0.423800 -1.9117E+01 5.8862E+00 -1.6536E+01 H2 5700 1.008000 0.423800 -1.7679E+01 5.1316E+00 -1.6713E+01 O6 5701 15.999400 -0.847600 -1.3416E+01 1.1882E+01 1.0776E+01 H1 5702 1.008000 0.423800 -1.4055E+01 1.2517E+01 1.1213E+01 H2 5703 1.008000 0.423800 -1.3651E+01 1.1787E+01 9.8088E+00 O6 5704 15.999400 -0.847600 -9.9616E+00 1.0665E+01 -6.7992E+00 H1 5705 1.008000 0.423800 -1.0292E+01 1.1385E+01 -7.4095E+00 H2 5706 1.008000 0.423800 -9.0065E+00 1.0841E+01 -6.5617E+00 O6 5707 15.999400 -0.847600 -1.3739E+01 -4.5267E+00 6.2385E+00 H1 5708 1.008000 0.423800 -1.4447E+01 -4.4314E+00 5.5391E+00 H2 5709 1.008000 0.423800 -1.3878E+01 -5.3804E+00 6.7402E+00 O6 5710 15.999400 -0.847600 1.2373E+01 4.4793E+00 -4.4365E+00 H1 5711 1.008000 0.423800 1.2004E+01 4.5881E+00 -5.3597E+00 H2 5712 1.008000 0.423800 1.1626E+01 4.5144E+00 -3.7729E+00 O6 5713 15.999400 -0.847600 1.4132E+01 9.0243E+00 -1.3572E+01 H1 5714 1.008000 0.423800 1.4275E+01 9.4878E+00 -1.2698E+01 H2 5715 1.008000 0.423800 1.4707E+01 9.4471E+00 -1.4272E+01 O6 5716 15.999400 -0.847600 8.6696E+00 -1.5597E+01 6.1170E+00 H1 5717 1.008000 0.423800 7.9513E+00 -1.5996E+01 6.6868E+00 H2 5718 1.008000 0.423800 9.5503E+00 -1.5682E+01 6.5829E+00 O6 5719 15.999400 -0.847600 1.1159E+01 5.5970E+00 -1.3583E+01 H1 5720 1.008000 0.423800 1.0398E+01 6.2459E+00 -1.3609E+01 H2 5721 1.008000 0.423800 1.1836E+01 5.8496E+00 -1.4273E+01 O6 5722 15.999400 -0.847600 1.6294E+01 1.5580E+01 2.3084E+00 H1 5723 1.008000 0.423800 1.6457E+01 1.4615E+01 2.1046E+00 H2 5724 1.008000 0.423800 1.7126E+01 1.5987E+01 2.6848E+00 O6 5725 15.999400 -0.847600 -1.1781E+01 1.9294E+01 2.9559E+00 H1 5726 1.008000 0.423800 -1.2725E+01 -1.9483E+01 2.8727E+00 H2 5727 1.008000 0.423800 -1.1215E+01 -1.9076E+01 3.3425E+00 O6 5728 15.999400 -0.847600 1.9524E+01 -1.3695E+01 -1.3502E+01 H1 5729 1.008000 0.423800 1.9091E+01 -1.4315E+01 -1.2847E+01 H2 5730 1.008000 0.423800 -1.8840E+01 -1.4177E+01 -1.3982E+01 O6 5731 15.999400 -0.847600 1.3336E+01 -1.1591E+01 2.3319E+00 H1 5732 1.008000 0.423800 1.2657E+01 -1.2227E+01 2.6987E+00 H2 5733 1.008000 0.423800 1.3264E+01 -1.1565E+01 1.3348E+00 O6 5734 15.999400 -0.847600 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-1.2778E+01 -1.1592E+01 H2 5751 1.008000 0.423800 -2.5669E-01 -1.1943E+01 -1.2964E+01 O6 5752 15.999400 -0.847600 -1.2676E+01 -1.2800E+01 -7.6561E+00 H1 5753 1.008000 0.423800 -1.1891E+01 -1.2755E+01 -7.0385E+00 H2 5754 1.008000 0.423800 -1.3504E+01 -1.2536E+01 -7.1618E+00 O6 5755 15.999400 -0.847600 -4.1304E+00 1.4526E+01 -1.6649E+01 H1 5756 1.008000 0.423800 -3.3825E+00 1.4902E+01 -1.7196E+01 H2 5757 1.008000 0.423800 -4.9712E+00 1.4525E+01 -1.7191E+01 O6 5758 15.999400 -0.847600 4.9953E+00 7.9815E+00 1.4504E+01 H1 5759 1.008000 0.423800 5.1679E+00 6.9975E+00 1.4459E+01 H2 5760 1.008000 0.423800 5.7110E+00 8.4205E+00 1.5047E+01 O6 5761 15.999400 -0.847600 5.2919E+00 1.3128E+01 -1.6729E+01 H1 5762 1.008000 0.423800 4.5382E+00 1.2581E+01 -1.6365E+01 H2 5763 1.008000 0.423800 6.1085E+00 1.2557E+01 -1.6812E+01 O6 5764 15.999400 -0.847600 -3.0878E+00 1.5096E+01 1.3094E+01 H1 5765 1.008000 0.423800 -3.4543E+00 1.4385E+01 1.2494E+01 H2 5766 1.008000 0.423800 -2.4229E+00 1.5648E+01 1.2591E+01 O6 5767 15.999400 -0.847600 -1.9298E+01 1.0382E+01 -3.7553E+00 H1 5768 1.008000 0.423800 1.8820E+01 1.0200E+01 -3.8388E+00 H2 5769 1.008000 0.423800 -1.9009E+01 1.0223E+01 -2.8114E+00 O6 5770 15.999400 -0.847600 -1.5725E+01 -2.7332E+00 8.0823E+00 H1 5771 1.008000 0.423800 -1.5803E+01 -3.7131E+00 7.8988E+00 H2 5772 1.008000 0.423800 -1.4762E+01 -2.4928E+00 8.2050E+00 O6 5773 15.999400 -0.847600 -1.7101E+01 3.4722E+00 -1.3771E+01 H1 5774 1.008000 0.423800 -1.7051E+01 3.6508E+00 -1.2788E+01 H2 5775 1.008000 0.423800 -1.6618E+01 2.6219E+00 -1.3980E+01 O6 5776 15.999400 -0.847600 -5.7904E+00 -5.7066E+00 -1.9474E+01 H1 5777 1.008000 0.423800 -4.8308E+00 -5.4427E+00 -1.9376E+01 H2 5778 1.008000 0.423800 -5.8450E+00 -6.6570E+00 1.9317E+01 O6 5779 15.999400 -0.847600 1.4064E+01 5.5901E+00 -1.0641E+01 H1 5780 1.008000 0.423800 1.4641E+01 4.9194E+00 -1.0175E+01 H2 5781 1.008000 0.423800 1.4258E+01 6.5033E+00 -1.0283E+01 O6 5782 15.999400 -0.847600 1.2033E+01 -2.1078E+00 1.1288E+01 H1 5783 1.008000 0.423800 1.2035E+01 -1.3947E+00 1.1989E+01 H2 5784 1.008000 0.423800 1.1169E+01 -2.0788E+00 1.0785E+01 O6 5785 15.999400 -0.847600 1.0948E+01 1.5555E+01 -9.0792E+00 H1 5786 1.008000 0.423800 1.1404E+01 1.4967E+01 -9.7473E+00 H2 5787 1.008000 0.423800 1.0966E+01 1.5115E+01 -8.1812E+00 O6 5788 15.999400 -0.847600 1.5895E+01 1.8466E+01 5.7644E+00 H1 5789 1.008000 0.423800 1.5635E+01 1.8305E+01 4.8122E+00 H2 5790 1.008000 0.423800 1.6777E+01 1.8032E+01 5.9468E+00 O6 5791 15.999400 -0.847600 1.4843E+01 -1.2501E+01 1.2059E+01 H1 5792 1.008000 0.423800 1.5718E+01 -1.2968E+01 1.2185E+01 H2 5793 1.008000 0.423800 1.5007E+01 -1.1563E+01 1.1753E+01 O6 5794 15.999400 -0.847600 -1.4662E+01 -1.1355E+01 1.4467E+01 H1 5795 1.008000 0.423800 -1.4865E+01 -1.2119E+01 1.5080E+01 H2 5796 1.008000 0.423800 -1.5477E+01 -1.0785E+01 1.4363E+01 O6 5797 15.999400 -0.847600 -1.2533E+01 -1.6632E+01 2.5597E+00 H1 5798 1.008000 0.423800 -1.3162E+01 -1.7386E+01 2.3686E+00 H2 5799 1.008000 0.423800 -1.2880E+01 -1.6096E+01 3.3302E+00 O6 5800 15.999400 -0.847600 -1.6430E+01 -1.8316E+00 -1.3826E+01 H1 5801 1.008000 0.423800 -1.6955E+01 -2.6100E+00 -1.4170E+01 H2 5802 1.008000 0.423800 -1.6272E+01 -1.9433E+00 -1.2845E+01 O6 5803 15.999400 -0.847600 -1.6482E+01 -1.5736E+00 -1.8720E+00 H1 5804 1.008000 0.423800 -1.6056E+01 -1.1617E+00 -2.6778E+00 H2 5805 1.008000 0.423800 -1.7215E+01 -2.1900E+00 -2.1605E+00 O6 5806 15.999400 -0.847600 -3.2442E+00 -1.2571E+01 9.4288E+00 H1 5807 1.008000 0.423800 -3.6165E+00 -1.1917E+01 8.7695E+00 H2 5808 1.008000 0.423800 -3.9070E+00 -1.3303E+01 9.5826E+00 O6 5809 15.999400 -0.847600 -8.8207E+00 1.5501E+00 -6.2608E+00 H1 5810 1.008000 0.423800 -9.3230E+00 8.2716E-01 -6.7353E+00 H2 5811 1.008000 0.423800 -8.1979E+00 1.9990E+00 -6.9016E+00 O6 5812 15.999400 -0.847600 -1.1213E+00 -6.5075E+00 -4.6557E+00 H1 5813 1.008000 0.423800 -6.7042E-01 -6.2312E+00 -5.5045E+00 H2 5814 1.008000 0.423800 -1.0002E+00 -5.7933E+00 -3.9663E+00 O6 5815 15.999400 -0.847600 7.5396E+00 1.2694E+01 -1.0486E+01 H1 5816 1.008000 0.423800 6.8230E+00 1.2806E+01 -9.7970E+00 H2 5817 1.008000 0.423800 7.8090E+00 1.3591E+01 -1.0835E+01 O6 5818 15.999400 -0.847600 6.4958E+00 3.0043E+00 1.5013E+01 H1 5819 1.008000 0.423800 7.1074E+00 3.2121E+00 1.5776E+01 H2 5820 1.008000 0.423800 6.2694E+00 2.0304E+00 1.5023E+01 O6 5821 15.999400 -0.847600 7.8153E+00 -1.6407E+01 -1.2127E+01 H1 5822 1.008000 0.423800 6.9579E+00 -1.6562E+01 -1.2617E+01 H2 5823 1.008000 0.423800 7.6868E+00 -1.5679E+01 -1.1453E+01 O6 5824 15.999400 -0.847600 -1.6004E+01 -1.8341E+01 -1.9230E+01 H1 5825 1.008000 0.423800 -1.6842E+01 -1.8694E+01 -1.8814E+01 H2 5826 1.008000 0.423800 -1.5366E+01 -1.8066E+01 -1.8511E+01 O6 5827 15.999400 -0.847600 1.1226E+01 5.2865E+00 -1.0784E+01 H1 5828 1.008000 0.423800 1.1150E+01 5.3704E+00 -1.1777E+01 H2 5829 1.008000 0.423800 1.2035E+01 5.7826E+00 -1.0469E+01 O6 5830 15.999400 -0.847600 2.5303E+00 -1.0878E+01 -3.1290E+00 H1 5831 1.008000 0.423800 2.6409E+00 -1.0394E+01 -2.2610E+00 H2 5832 1.008000 0.423800 3.2578E+00 -1.0605E+01 -3.7582E+00 O6 5833 15.999400 -0.847600 1.5821E+01 1.9001E+01 2.6679E-01 H1 5834 1.008000 0.423800 1.5122E+01 -1.9444E+01 -2.5630E-02 H2 5835 1.008000 0.423800 1.5796E+01 1.8197E+01 -3.2812E-01 O6 5836 15.999400 -0.847600 1.0009E+01 -1.3793E+01 -1.8884E+01 H1 5837 1.008000 0.423800 1.0184E+01 -1.4756E+01 -1.9094E+01 H2 5838 1.008000 0.423800 1.0876E+01 -1.3332E+01 -1.8691E+01 O6 5839 15.999400 -0.847600 -1.8652E+01 -6.9568E+00 -1.7745E+01 H1 5840 1.008000 0.423800 -1.8732E+01 -6.2729E+00 -1.8470E+01 H2 5841 1.008000 0.423800 1.9534E+01 -7.2813E+00 -1.7491E+01 O6 5842 15.999400 -0.847600 -1.3377E+01 1.7580E+01 -9.4084E+00 H1 5843 1.008000 0.423800 -1.3348E+01 1.8544E+01 -9.1415E+00 H2 5844 1.008000 0.423800 -1.4261E+01 1.7190E+01 -9.1519E+00 O6 5845 15.999400 -0.847600 -6.0321E+00 1.7731E+01 -1.9080E+01 H1 5846 1.008000 0.423800 -5.1933E+00 1.7957E+01 1.9522E+01 H2 5847 1.008000 0.423800 -6.2469E+00 1.8464E+01 -1.8436E+01 O6 5848 15.999400 -0.847600 5.9789E+00 -1.2419E+01 1.2682E+01 H1 5849 1.008000 0.423800 6.3530E+00 -1.3257E+01 1.2286E+01 H2 5850 1.008000 0.423800 6.7285E+00 -1.1814E+01 1.2951E+01 O6 5851 15.999400 -0.847600 -1.9105E+01 -1.7300E+01 1.1189E+01 H1 5852 1.008000 0.423800 -1.9326E+01 -1.7731E+01 1.2064E+01 H2 5853 1.008000 0.423800 -1.8155E+01 -1.6988E+01 1.1202E+01 O6 5854 15.999400 -0.847600 5.9996E+00 -2.1265E+00 -1.5364E+01 H1 5855 1.008000 0.423800 5.2693E+00 -2.5561E+00 -1.5895E+01 H2 5856 1.008000 0.423800 6.7870E+00 -2.7415E+00 -1.5321E+01 O6 5857 15.999400 -0.847600 1.2880E+01 1.5858E+01 1.1603E+01 H1 5858 1.008000 0.423800 1.3499E+01 1.5366E+01 1.0991E+01 H2 5859 1.008000 0.423800 1.3397E+01 1.6227E+01 1.2375E+01 O6 5860 15.999400 -0.847600 7.1832E+00 5.7892E+00 -2.3806E+00 H1 5861 1.008000 0.423800 6.5622E+00 6.4827E+00 -2.0154E+00 H2 5862 1.008000 0.423800 6.6515E+00 5.0266E+00 -2.7490E+00 O6 5863 15.999400 -0.847600 -8.1189E+00 1.0529E+01 -4.0794E+00 H1 5864 1.008000 0.423800 -8.5944E+00 1.1157E+01 -3.4631E+00 H2 5865 1.008000 0.423800 -7.8369E+00 1.1021E+01 -4.9033E+00 O6 5866 15.999400 -0.847600 -1.5741E+01 -1.1853E+01 -1.8086E+00 H1 5867 1.008000 0.423800 -1.6512E+01 -1.1315E+01 -1.4684E+00 H2 5868 1.008000 0.423800 -1.5073E+01 -1.1980E+01 -1.0746E+00 O6 5869 15.999400 -0.847600 -2.9918E+00 1.1368E+01 1.5678E+01 H1 5870 1.008000 0.423800 -2.5294E+00 1.0658E+01 1.6209E+01 H2 5871 1.008000 0.423800 -3.9494E+00 1.1425E+01 1.5960E+01 O6 5872 15.999400 -0.847600 -1.9455E+01 2.9705E+00 1.4345E+01 H1 5873 1.008000 0.423800 -1.8797E+01 3.6692E+00 1.4624E+01 H2 5874 1.008000 0.423800 1.8787E+01 3.4098E+00 1.4069E+01 O6 5875 15.999400 -0.847600 1.9211E+01 -3.2803E+00 1.7916E+01 H1 5876 1.008000 0.423800 1.8937E+01 -3.6677E+00 1.7035E+01 H2 5877 1.008000 0.423800 -1.8999E+01 -3.6561E+00 1.8183E+01 O6 5878 15.999400 -0.847600 -1.2413E+01 1.6578E+01 -1.1777E+01 H1 5879 1.008000 0.423800 -1.1978E+01 1.5681E+01 -1.1865E+01 H2 5880 1.008000 0.423800 -1.2728E+01 1.6704E+01 -1.0836E+01 O6 5881 15.999400 -0.847600 2.2544E+00 -1.2511E+01 1.5881E+00 H1 5882 1.008000 0.423800 1.2949E+00 -1.2290E+01 1.7622E+00 H2 5883 1.008000 0.423800 2.3763E+00 -1.3504E+01 1.6089E+00 O6 5884 15.999400 -0.847600 -1.3711E+01 1.3312E+01 -1.0808E+01 H1 5885 1.008000 0.423800 -1.4396E+01 1.2750E+01 -1.1272E+01 H2 5886 1.008000 0.423800 -1.4163E+01 1.3901E+01 -1.0137E+01 O6 5887 15.999400 -0.847600 1.1658E+01 1.3319E+01 -1.0521E+01 H1 5888 1.008000 0.423800 1.1732E+01 1.2323E+01 -1.0573E+01 H2 5889 1.008000 0.423800 1.1703E+01 1.3705E+01 -1.1443E+01 O6 5890 15.999400 -0.847600 2.0153E-03 1.2451E+00 -2.5670E+00 H1 5891 1.008000 0.423800 -3.0375E-01 1.4149E+00 -1.6301E+00 H2 5892 1.008000 0.423800 9.3458E-01 8.8443E-01 -2.5530E+00 O6 5893 15.999400 -0.847600 9.0520E+00 1.4197E+00 1.9287E+01 H1 5894 1.008000 0.423800 9.8034E+00 7.6908E-01 1.9176E+01 H2 5895 1.008000 0.423800 8.5792E+00 1.2393E+00 -1.8948E+01 O6 5896 15.999400 -0.847600 8.8850E+00 1.9252E+01 8.0689E+00 H1 5897 1.008000 0.423800 9.0860E+00 1.8297E+01 7.8506E+00 H2 5898 1.008000 0.423800 7.9710E+00 1.9317E+01 8.4694E+00 O6 5899 15.999400 -0.847600 -1.1253E+01 1.8743E+00 1.3403E+01 H1 5900 1.008000 0.423800 -1.0475E+01 2.4499E+00 1.3150E+01 H2 5901 1.008000 0.423800 -1.2044E+01 2.4523E+00 1.3604E+01 O6 5902 15.999400 -0.847600 -8.6864E+00 5.3503E+00 -2.5079E+00 H1 5903 1.008000 0.423800 -8.4030E+00 6.1323E+00 -3.0630E+00 H2 5904 1.008000 0.423800 -9.3986E+00 4.8400E+00 -2.9900E+00 O6 5905 15.999400 -0.847600 5.6571E+00 1.1740E+01 -4.0492E+00 H1 5906 1.008000 0.423800 5.9137E+00 1.0800E+01 -4.2707E+00 H2 5907 1.008000 0.423800 4.6649E+00 1.1798E+01 -3.9388E+00 O6 5908 15.999400 -0.847600 -4.3628E+00 -5.9941E+00 -1.1572E+01 H1 5909 1.008000 0.423800 -3.7304E+00 -5.2251E+00 -1.1666E+01 H2 5910 1.008000 0.423800 -4.6320E+00 -6.0896E+00 -1.0614E+01 O6 5911 15.999400 -0.847600 -2.6818E+00 -1.7610E+01 -3.0672E+00 H1 5912 1.008000 0.423800 -2.8192E+00 -1.8461E+01 -2.5605E+00 H2 5913 1.008000 0.423800 -2.3890E+00 -1.6890E+01 -2.4372E+00 O6 5914 15.999400 -0.847600 -2.2217E+00 9.4300E-01 1.4559E+01 H1 5915 1.008000 0.423800 -1.6336E+00 1.0041E+00 1.5366E+01 H2 5916 1.008000 0.423800 -3.1753E+00 1.0713E+00 1.4832E+01 O6 5917 15.999400 -0.847600 5.7807E+00 -1.7279E+01 -1.4018E+01 H1 5918 1.008000 0.423800 5.0841E+00 -1.7992E+01 -1.3939E+01 H2 5919 1.008000 0.423800 5.6145E+00 -1.6742E+01 -1.4845E+01 O6 5920 15.999400 -0.847600 1.2712E+01 -1.9390E+01 1.2753E+01 H1 5921 1.008000 0.423800 1.3006E+01 -1.8443E+01 1.2883E+01 H2 5922 1.008000 0.423800 1.1714E+01 -1.9439E+01 1.2799E+01 O6 5923 15.999400 -0.847600 1.9452E+01 8.8301E+00 -1.2371E+01 H1 5924 1.008000 0.423800 1.8898E+01 8.0015E+00 -1.2450E+01 H2 5925 1.008000 0.423800 -1.8682E+01 8.6015E+00 -1.2514E+01 O6 5926 15.999400 -0.847600 -1.2803E+01 -1.3461E+01 7.9902E+00 H1 5927 1.008000 0.423800 -1.3441E+01 -1.2776E+01 8.3420E+00 H2 5928 1.008000 0.423800 -1.2552E+01 -1.3231E+01 7.0499E+00 O6 5929 15.999400 -0.847600 -1.5437E+01 7.5339E+00 -1.5987E+01 H1 5930 1.008000 0.423800 -1.6015E+01 8.2410E+00 -1.5579E+01 H2 5931 1.008000 0.423800 -1.5876E+01 6.6418E+00 -1.5879E+01 O6 5932 15.999400 -0.847600 -1.1412E+01 1.6061E+01 2.4327E+00 H1 5933 1.008000 0.423800 -1.1937E+01 1.5242E+01 2.2023E+00 H2 5934 1.008000 0.423800 -1.1564E+01 1.6295E+01 3.3928E+00 O6 5935 15.999400 -0.847600 1.6313E+01 -4.3744E+00 -8.2714E+00 H1 5936 1.008000 0.423800 1.6361E+01 -4.9768E+00 -9.0681E+00 H2 5937 1.008000 0.423800 1.5897E+01 -3.5045E+00 -8.5360E+00 O6 5938 15.999400 -0.847600 -5.5665E+00 4.5737E+00 -1.6404E+01 H1 5939 1.008000 0.423800 -6.1339E+00 5.3938E+00 -1.6330E+01 H2 5940 1.008000 0.423800 -5.0078E+00 4.6287E+00 -1.7232E+01 O6 5941 15.999400 -0.847600 -9.0397E-01 -6.5761E+00 -1.1625E+01 H1 5942 1.008000 0.423800 -8.5284E-01 -7.5542E+00 -1.1827E+01 H2 5943 1.008000 0.423800 -1.2274E-03 -6.2449E+00 -1.1350E+01 O6 5944 15.999400 -0.847600 -8.8751E+00 -1.3524E+01 -7.8909E+00 H1 5945 1.008000 0.423800 -7.9740E+00 -1.3949E+01 -7.8073E+00 H2 5946 1.008000 0.423800 -8.7680E+00 -1.2537E+01 -8.0087E+00 O6 5947 15.999400 -0.847600 6.0038E+00 9.0608E+00 4.2695E+00 H1 5948 1.008000 0.423800 5.4482E+00 8.5003E+00 3.6553E+00 H2 5949 1.008000 0.423800 5.4067E+00 9.5530E+00 4.9029E+00 O6 5950 15.999400 -0.847600 4.0833E+00 1.5308E+01 8.1095E+00 H1 5951 1.008000 0.423800 3.9325E+00 1.4407E+01 8.5150E+00 H2 5952 1.008000 0.423800 5.0653E+00 1.5469E+01 8.0110E+00 O6 5953 15.999400 -0.847600 1.8981E+01 -5.2677E+00 1.5827E+01 H1 5954 1.008000 0.423800 1.9223E+01 -5.9952E+00 1.5185E+01 H2 5955 1.008000 0.423800 1.7988E+01 -5.2450E+00 1.5946E+01 O6 5956 15.999400 -0.847600 8.0058E+00 -1.5282E+01 -4.0424E+00 H1 5957 1.008000 0.423800 8.9338E+00 -1.5090E+01 -4.3619E+00 H2 5958 1.008000 0.423800 7.3686E+00 -1.4635E+01 -4.4616E+00 O6 5959 15.999400 -0.847600 1.7823E+01 -8.6897E-01 -1.6967E+01 H1 5960 1.008000 0.423800 1.7423E+01 -1.0204E+00 -1.7871E+01 H2 5961 1.008000 0.423800 1.7184E+01 -3.4577E-01 -1.6403E+01 O6 5962 15.999400 -0.847600 -1.6111E+01 -1.1293E+01 1.1982E+01 H1 5963 1.008000 0.423800 -1.6667E+01 -1.0486E+01 1.1784E+01 H2 5964 1.008000 0.423800 -1.5336E+01 -1.1031E+01 1.2557E+01 O6 5965 15.999400 -0.847600 6.3208E+00 8.8061E+00 1.0069E+01 H1 5966 1.008000 0.423800 6.3597E+00 9.3376E+00 1.0915E+01 H2 5967 1.008000 0.423800 7.1298E+00 8.2219E+00 1.0005E+01 O6 5968 15.999400 -0.847600 5.1950E+00 -2.3608E+00 -1.2334E+01 H1 5969 1.008000 0.423800 4.8736E+00 -2.2774E+00 -1.3278E+01 H2 5970 1.008000 0.423800 4.4306E+00 -2.6188E+00 -1.1744E+01 O6 5971 15.999400 -0.847600 -5.3383E+00 2.9542E-01 1.3616E+01 H1 5972 1.008000 0.423800 -5.3023E+00 -6.2649E-01 1.3230E+01 H2 5973 1.008000 0.423800 -5.1488E+00 9.6487E-01 1.2898E+01 O6 5974 15.999400 -0.847600 -2.5064E-01 3.0796E+00 -1.5210E+01 H1 5975 1.008000 0.423800 6.0692E-01 2.8539E+00 -1.4748E+01 H2 5976 1.008000 0.423800 -1.6197E-01 2.8902E+00 -1.6188E+01 O6 5977 15.999400 -0.847600 1.2095E+01 -7.7492E+00 1.2929E+01 H1 5978 1.008000 0.423800 1.2179E+01 -7.6216E+00 1.3917E+01 H2 5979 1.008000 0.423800 1.1596E+01 -6.9770E+00 1.2535E+01 O6 5980 15.999400 -0.847600 1.2952E+01 2.1466E+00 -1.8898E+01 H1 5981 1.008000 0.423800 1.3683E+01 2.8061E+00 -1.9071E+01 H2 5982 1.008000 0.423800 1.2161E+01 2.6203E+00 -1.8511E+01 O6 5983 15.999400 -0.847600 -1.4110E+01 -4.9270E+00 -9.2135E+00 H1 5984 1.008000 0.423800 -1.5011E+01 -5.2770E+00 -9.4699E+00 H2 5985 1.008000 0.423800 -1.3811E+01 -5.3650E+00 -8.3657E+00 O6 5986 15.999400 -0.847600 -1.4122E+00 -7.3203E+00 -1.7451E+00 H1 5987 1.008000 0.423800 -5.1888E-01 -7.3488E+00 -2.1937E+00 H2 5988 1.008000 0.423800 -1.9497E+00 -8.1167E+00 -2.0220E+00 O6 5989 15.999400 -0.847600 5.3350E-01 1.0489E+01 -8.6703E+00 H1 5990 1.008000 0.423800 1.2246E+00 1.0991E+01 -8.1505E+00 H2 5991 1.008000 0.423800 -9.9310E-02 1.1136E+01 -9.0953E+00 O6 5992 15.999400 -0.847600 -1.1602E+00 -8.9542E+00 -7.9830E+00 H1 5993 1.008000 0.423800 -1.3730E+00 -8.7830E+00 -7.0210E+00 H2 5994 1.008000 0.423800 -7.7608E-01 -8.1264E+00 -8.3919E+00 O6 5995 15.999400 -0.847600 1.2996E+01 -1.8982E+01 -1.7791E+00 H1 5996 1.008000 0.423800 1.3930E+01 -1.9216E+01 -2.0503E+00 H2 5997 1.008000 0.423800 1.2355E+01 1.9482E+01 -2.2116E+00 O6 5998 15.999400 -0.847600 1.5455E+01 1.5585E+01 -4.1973E+00 H1 5999 1.008000 0.423800 1.6275E+01 1.5060E+01 -4.4238E+00 H2 6000 1.008000 0.423800 1.5453E+01 1.6440E+01 -4.7154E+00 O6 6001 15.999400 -0.847600 -7.1542E+00 1.8753E+01 3.5798E-01 H1 6002 1.008000 0.423800 -6.9704E+00 -1.9366E+01 2.5707E-01 H2 6003 1.008000 0.423800 -8.0917E+00 1.8622E+01 6.8015E-01 O6 6004 15.999400 -0.847600 -6.6599E+00 1.6075E+00 2.5918E+00 H1 6005 1.008000 0.423800 -7.2284E+00 2.4190E+00 2.4568E+00 H2 6006 1.008000 0.423800 -6.8237E+00 1.2340E+00 3.5048E+00 timestep 40001 6006 0 1 0.001000 39.10 0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.2456E+01 1.0373E+01 2.5404E+00 O1 2 15.999400 -1.000000 -1.2455E+01 1.1528E+01 1.3337E+00 O2 3 15.999400 -1.000000 -1.2945E+01 8.9073E+00 1.9075E+00 O3 4 15.999400 -1.000000 -1.0917E+01 1.0223E+01 3.1689E+00 O4 5 15.999400 -1.000000 -1.3509E+01 1.0836E+01 3.7516E+00 CU 6 63.465000 2.000000 -9.5754E+00 1.0198E+01 4.3288E+00 O6 7 15.999400 -0.847600 1.0200E+01 1.0930E+01 1.6130E+01 H1 8 1.008000 0.423800 1.0038E+01 1.0773E+01 1.5156E+01 H2 9 1.008000 0.423800 9.7873E+00 1.0190E+01 1.6660E+01 O6 10 15.999400 -0.847600 1.4382E+01 1.5154E+01 6.4314E+00 H1 11 1.008000 0.423800 1.5345E+01 1.5162E+01 6.1619E+00 H2 12 1.008000 0.423800 1.4308E+01 1.4904E+01 7.3966E+00 O6 13 15.999400 -0.847600 -6.3060E-01 -1.3113E+01 1.6515E+00 H1 14 1.008000 0.423800 -7.4604E-01 -1.2394E+01 9.6629E-01 H2 15 1.008000 0.423800 -1.5153E+00 -1.3540E+01 1.8388E+00 O6 16 15.999400 -0.847600 -3.3332E+00 -1.6960E+01 1.1593E+01 H1 17 1.008000 0.423800 -3.1234E+00 -1.7826E+01 1.1140E+01 H2 18 1.008000 0.423800 -3.2583E+00 -1.6212E+01 1.0933E+01 O6 19 15.999400 -0.847600 -1.7623E+01 -1.5929E+01 1.2136E+01 H1 20 1.008000 0.423800 -1.6627E+01 -1.5902E+01 1.2211E+01 H2 21 1.008000 0.423800 -1.7980E+01 -1.6672E+01 1.2703E+01 O6 22 15.999400 -0.847600 -1.3397E+01 -1.7252E+01 1.8831E+01 H1 23 1.008000 0.423800 -1.4379E+01 -1.7099E+01 1.8727E+01 H2 24 1.008000 0.423800 -1.3244E+01 -1.8086E+01 1.9363E+01 O6 25 15.999400 -0.847600 1.0184E+01 -4.8238E+00 -5.4177E+00 H1 26 1.008000 0.423800 1.0280E+01 -5.7928E+00 -5.1900E+00 H2 27 1.008000 0.423800 1.0434E+01 -4.2687E+00 -4.6243E+00 O6 28 15.999400 -0.847600 -5.0342E+00 -2.6301E+00 -5.7781E-01 H1 29 1.008000 0.423800 -5.1828E+00 -1.6597E+00 -7.6843E-01 H2 30 1.008000 0.423800 -4.3650E+00 -2.7264E+00 1.5894E-01 O6 31 15.999400 -0.847600 -3.9235E+00 1.8865E+01 1.1289E+01 H1 32 1.008000 0.423800 -3.1655E+00 1.8727E+01 1.1927E+01 H2 33 1.008000 0.423800 -4.5454E+00 1.8084E+01 1.1337E+01 O6 34 15.999400 -0.847600 -1.3354E+01 5.1212E+00 -1.1995E+01 H1 35 1.008000 0.423800 -1.3237E+01 6.0912E+00 -1.2207E+01 H2 36 1.008000 0.423800 -1.2819E+01 4.8907E+00 -1.1182E+01 O6 37 15.999400 -0.847600 1.0169E+01 -7.1723E+00 5.1002E+00 H1 38 1.008000 0.423800 1.0675E+01 -8.0139E+00 4.9115E+00 H2 39 1.008000 0.423800 1.0737E+01 -6.3827E+00 4.8698E+00 O6 40 15.999400 -0.847600 -4.0340E+00 -6.8795E+00 -4.4548E+00 H1 41 1.008000 0.423800 -3.3807E+00 -7.6021E+00 -4.6809E+00 H2 42 1.008000 0.423800 -4.8833E+00 -7.2900E+00 -4.1229E+00 O6 43 15.999400 -0.847600 -6.2395E+00 -5.6764E+00 2.5096E+00 H1 44 1.008000 0.423800 -5.3043E+00 -5.8147E+00 2.8356E+00 H2 45 1.008000 0.423800 -6.2175E+00 -5.2660E+00 1.5980E+00 O6 46 15.999400 -0.847600 -1.0389E+01 1.2233E+01 -2.7596E-01 H1 47 1.008000 0.423800 -9.7196E+00 1.2449E+01 4.3426E-01 H2 48 1.008000 0.423800 -1.1224E+01 1.1882E+01 1.4895E-01 O6 49 15.999400 -0.847600 -7.8047E+00 1.5481E+01 -1.1271E+01 H1 50 1.008000 0.423800 -8.6673E+00 1.5142E+01 -1.1647E+01 H2 51 1.008000 0.423800 -7.1094E+00 1.4765E+01 -1.1335E+01 O6 52 15.999400 -0.847600 -1.9435E+01 -3.5124E+00 2.8816E+00 H1 53 1.008000 0.423800 -1.8551E+01 -3.1083E+00 3.1180E+00 H2 54 1.008000 0.423800 -1.9295E+01 -4.2714E+00 2.2458E+00 O6 55 15.999400 -0.847600 -9.0974E+00 -7.3758E+00 1.9101E+01 H1 56 1.008000 0.423800 -9.8575E+00 -6.8033E+00 1.8793E+01 H2 57 1.008000 0.423800 -8.2352E+00 -6.9892E+00 1.8773E+01 O6 58 15.999400 -0.847600 7.7326E+00 -1.5700E+01 -1.4056E+01 H1 59 1.008000 0.423800 8.7123E+00 -1.5714E+01 -1.4256E+01 H2 60 1.008000 0.423800 7.2204E+00 -1.5591E+01 -1.4908E+01 O6 61 15.999400 -0.847600 1.4846E+01 -1.1771E+01 1.6768E+01 H1 62 1.008000 0.423800 1.5563E+01 -1.2380E+01 1.7109E+01 H2 63 1.008000 0.423800 1.4488E+01 -1.1223E+01 1.7524E+01 O6 64 15.999400 -0.847600 -1.4691E+00 -1.5946E+01 5.9538E+00 H1 65 1.008000 0.423800 -1.5701E+00 -1.4952E+01 5.9798E+00 H2 66 1.008000 0.423800 -1.9008E+00 -1.6303E+01 5.1256E+00 O6 67 15.999400 -0.847600 -6.9592E+00 -1.7707E+01 5.9374E+00 H1 68 1.008000 0.423800 -6.2059E+00 -1.8116E+01 5.4224E+00 H2 69 1.008000 0.423800 -6.5926E+00 -1.7064E+01 6.6105E+00 O6 70 15.999400 -0.847600 1.1799E+01 -9.8842E+00 5.6502E+00 H1 71 1.008000 0.423800 1.2687E+01 -9.7661E+00 5.2060E+00 H2 72 1.008000 0.423800 1.1922E+01 -9.8962E+00 6.6426E+00 O6 73 15.999400 -0.847600 -1.4393E+00 -9.2110E+00 1.4616E-01 H1 74 1.008000 0.423800 -1.6639E+00 -8.3936E+00 -3.8432E-01 H2 75 1.008000 0.423800 -5.7264E-01 -9.5906E+00 -1.7764E-01 O6 76 15.999400 -0.847600 5.7695E+00 1.1196E+01 -5.2002E+00 H1 77 1.008000 0.423800 5.7339E+00 1.0613E+01 -6.0120E+00 H2 78 1.008000 0.423800 6.3457E+00 1.0765E+01 -4.5057E+00 O6 79 15.999400 -0.847600 -1.0809E+00 -1.3403E+01 1.8208E+01 H1 80 1.008000 0.423800 -1.5283E+00 -1.2513E+01 1.8290E+01 H2 81 1.008000 0.423800 -1.1810E+00 -1.3741E+01 1.7272E+01 O6 82 15.999400 -0.847600 -4.5534E+00 -7.0061E+00 -4.9340E-01 H1 83 1.008000 0.423800 -3.5929E+00 -6.7560E+00 -3.7090E-01 H2 84 1.008000 0.423800 -4.7494E+00 -7.8390E+00 2.4076E-02 O6 85 15.999400 -0.847600 -4.1398E-01 1.3585E+00 -1.2998E+01 H1 86 1.008000 0.423800 -2.7227E-01 1.9709E+00 -1.2220E+01 H2 87 1.008000 0.423800 -1.3353E+00 1.4916E+00 -1.3364E+01 O6 88 15.999400 -0.847600 8.3988E+00 -1.6689E+01 -5.9344E+00 H1 89 1.008000 0.423800 7.5176E+00 -1.6233E+01 -5.8083E+00 H2 90 1.008000 0.423800 8.3936E+00 -1.7191E+01 -6.7990E+00 O6 91 15.999400 -0.847600 -7.4594E+00 -9.4204E+00 -6.9123E+00 H1 92 1.008000 0.423800 -7.7475E+00 -9.0275E+00 -6.0390E+00 H2 93 1.008000 0.423800 -7.4763E+00 -1.0418E+01 -6.8504E+00 O6 94 15.999400 -0.847600 -1.7394E+01 5.4044E+00 6.1507E+00 H1 95 1.008000 0.423800 -1.6600E+01 4.8470E+00 5.9059E+00 H2 96 1.008000 0.423800 -1.8199E+01 4.8176E+00 6.2394E+00 O6 97 15.999400 -0.847600 1.6613E+01 3.3589E+00 -1.9245E+01 H1 98 1.008000 0.423800 1.7146E+01 2.5293E+00 -1.9411E+01 H2 99 1.008000 0.423800 1.6644E+01 3.5854E+00 -1.8272E+01 O6 100 15.999400 -0.847600 2.2678E-01 -1.5197E+01 9.3546E+00 H1 101 1.008000 0.423800 5.1092E-01 -1.6091E+01 9.0082E+00 H2 102 1.008000 0.423800 9.5692E-01 -1.4531E+01 9.1986E+00 O6 103 15.999400 -0.847600 1.7888E+01 7.4592E+00 -1.1082E+01 H1 104 1.008000 0.423800 1.7414E+01 8.1908E+00 -1.0592E+01 H2 105 1.008000 0.423800 1.7972E+01 6.6600E+00 -1.0487E+01 O6 106 15.999400 -0.847600 -2.9834E+00 1.1476E+01 -1.6763E+01 H1 107 1.008000 0.423800 -3.5284E+00 1.1120E+01 -1.6004E+01 H2 108 1.008000 0.423800 -2.3891E+00 1.2209E+01 -1.6431E+01 O6 109 15.999400 -0.847600 -1.0615E+01 -1.7952E+01 1.0156E+01 H1 110 1.008000 0.423800 -1.0398E+01 -1.8866E+01 9.8125E+00 H2 111 1.008000 0.423800 -1.1606E+01 -1.7854E+01 1.0242E+01 O6 112 15.999400 -0.847600 4.8881E+00 -6.0036E-01 4.1538E+00 H1 113 1.008000 0.423800 3.9782E+00 -1.9150E-01 4.0830E+00 H2 114 1.008000 0.423800 5.2924E+00 -3.6269E-01 5.0371E+00 O6 115 15.999400 -0.847600 1.6176E+01 -1.4003E+01 -1.1811E+01 H1 116 1.008000 0.423800 1.5691E+01 -1.3286E+01 -1.2311E+01 H2 117 1.008000 0.423800 1.6588E+01 -1.4643E+01 -1.2460E+01 O6 118 15.999400 -0.847600 2.1694E+00 -4.3680E+00 6.3629E+00 H1 119 1.008000 0.423800 2.0297E+00 -4.4516E+00 5.3763E+00 H2 120 1.008000 0.423800 3.0454E+00 -4.7811E+00 6.6117E+00 O6 121 15.999400 -0.847600 -7.6394E+00 9.1119E+00 -3.1362E+00 H1 122 1.008000 0.423800 -6.6451E+00 9.2113E+00 -3.1750E+00 H2 123 1.008000 0.423800 -8.0299E+00 9.3147E+00 -4.0341E+00 O6 124 15.999400 -0.847600 2.1161E+00 -1.9436E+01 -1.7860E+01 H1 125 1.008000 0.423800 1.5120E+00 -1.8648E+01 -1.7743E+01 H2 126 1.008000 0.423800 1.5996E+00 1.8902E+01 -1.8255E+01 O6 127 15.999400 -0.847600 -1.7114E+01 -1.9545E+01 1.8833E+01 H1 128 1.008000 0.423800 -1.6487E+01 -1.9369E+01 1.8073E+01 H2 129 1.008000 0.423800 -1.6896E+01 1.8669E+01 1.9247E+01 O6 130 15.999400 -0.847600 1.6918E+01 -6.5278E+00 -4.4345E+00 H1 131 1.008000 0.423800 1.7446E+01 -6.1162E+00 -5.1773E+00 H2 132 1.008000 0.423800 1.6349E+01 -5.8281E+00 -4.0026E+00 O6 133 15.999400 -0.847600 -1.8152E+01 1.2782E+01 9.7816E+00 H1 134 1.008000 0.423800 -1.8343E+01 1.1845E+01 9.4912E+00 H2 135 1.008000 0.423800 -1.7720E+01 1.2771E+01 1.0683E+01 O6 136 15.999400 -0.847600 -1.8503E+01 3.9283E+00 8.6831E+00 H1 137 1.008000 0.423800 -1.9063E+01 3.7121E+00 9.4831E+00 H2 138 1.008000 0.423800 -1.9091E+01 4.2540E+00 7.9429E+00 O6 139 15.999400 -0.847600 4.6618E+00 1.7801E+01 -7.5221E+00 H1 140 1.008000 0.423800 3.7484E+00 1.7528E+01 -7.8245E+00 H2 141 1.008000 0.423800 5.0731E+00 1.7058E+01 -6.9933E+00 O6 142 15.999400 -0.847600 1.6783E+01 -1.2286E+01 -5.9358E+00 H1 143 1.008000 0.423800 1.6169E+01 -1.1964E+01 -6.6562E+00 H2 144 1.008000 0.423800 1.6256E+01 -1.2474E+01 -5.1075E+00 O6 145 15.999400 -0.847600 -1.1461E+01 -1.1972E+00 7.4439E+00 H1 146 1.008000 0.423800 -1.1374E+01 -1.5246E+00 6.5030E+00 H2 147 1.008000 0.423800 -1.1157E+01 -1.9113E+00 8.0745E+00 O6 148 15.999400 -0.847600 -4.5348E+00 4.8323E+00 -6.1249E+00 H1 149 1.008000 0.423800 -5.4392E+00 5.2475E+00 -6.2235E+00 H2 150 1.008000 0.423800 -4.5898E+00 4.0599E+00 -5.4922E+00 O6 151 15.999400 -0.847600 -1.8762E+01 -1.3336E+01 -2.1295E+00 H1 152 1.008000 0.423800 1.9377E+01 -1.3127E+01 -2.3232E+00 H2 153 1.008000 0.423800 -1.8707E+01 -1.4167E+01 -1.5755E+00 O6 154 15.999400 -0.847600 -1.9366E+01 1.0477E+01 -1.7406E+01 H1 155 1.008000 0.423800 -1.9023E+01 9.5395E+00 -1.7466E+01 H2 156 1.008000 0.423800 1.8732E+01 1.0467E+01 -1.7398E+01 O6 157 15.999400 -0.847600 1.3686E+01 -3.7876E+00 -6.9023E+00 H1 158 1.008000 0.423800 1.3726E+01 -4.0455E+00 -5.9370E+00 H2 159 1.008000 0.423800 1.3160E+01 -2.9422E+00 -6.9998E+00 O6 160 15.999400 -0.847600 -1.6964E+01 3.2976E+00 -1.3891E+01 H1 161 1.008000 0.423800 -1.6437E+01 2.6931E+00 -1.4489E+01 H2 162 1.008000 0.423800 -1.6597E+01 3.2499E+00 -1.2962E+01 O6 163 15.999400 -0.847600 2.5848E+00 1.9141E+01 -4.0232E+00 H1 164 1.008000 0.423800 3.2188E+00 1.8922E+01 -3.2816E+00 H2 165 1.008000 0.423800 1.6474E+00 1.9127E+01 -3.6754E+00 O6 166 15.999400 -0.847600 4.9097E+00 1.3599E+01 1.9338E+01 H1 167 1.008000 0.423800 5.6693E+00 1.3109E+01 1.8910E+01 H2 168 1.008000 0.423800 4.1785E+00 1.2953E+01 -1.9540E+01 O6 169 15.999400 -0.847600 1.9962E+00 -1.3036E+01 8.7871E+00 H1 170 1.008000 0.423800 1.5282E+00 -1.2392E+01 8.1823E+00 H2 171 1.008000 0.423800 2.9754E+00 -1.2833E+01 8.7968E+00 O6 172 15.999400 -0.847600 -6.0276E+00 1.1325E+01 6.0791E+00 H1 173 1.008000 0.423800 -5.1484E+00 1.1240E+01 5.6101E+00 H2 174 1.008000 0.423800 -5.9953E+00 1.2100E+01 6.7097E+00 O6 175 15.999400 -0.847600 -9.5804E+00 1.6957E+01 -6.6505E-01 H1 176 1.008000 0.423800 -9.2927E+00 1.7860E+01 -3.4669E-01 H2 177 1.008000 0.423800 -1.0319E+01 1.6618E+01 -8.2633E-02 O6 178 15.999400 -0.847600 1.5375E+01 1.4068E+01 2.0944E+00 H1 179 1.008000 0.423800 1.4606E+01 1.3532E+01 1.7460E+00 H2 180 1.008000 0.423800 1.5419E+01 1.4942E+01 1.6116E+00 O6 181 15.999400 -0.847600 1.0676E+01 9.3999E+00 -1.3559E+01 H1 182 1.008000 0.423800 1.1294E+01 9.9110E+00 -1.2961E+01 H2 183 1.008000 0.423800 1.0033E+01 1.0031E+01 -1.3992E+01 O6 184 15.999400 -0.847600 -9.6285E+00 -6.0315E+00 8.9383E+00 H1 185 1.008000 0.423800 -9.3107E+00 -6.0557E+00 9.8862E+00 H2 186 1.008000 0.423800 -1.0324E+01 -6.7372E+00 8.8018E+00 O6 187 15.999400 -0.847600 3.1046E+00 -4.5563E+00 -1.9004E+01 H1 188 1.008000 0.423800 3.9568E+00 -4.9804E+00 -1.8697E+01 H2 189 1.008000 0.423800 3.2248E+00 -3.5647E+00 -1.9053E+01 O6 190 15.999400 -0.847600 -9.7633E+00 -1.2378E+01 1.4376E+01 H1 191 1.008000 0.423800 -9.2402E+00 -1.2726E+01 1.5154E+01 H2 192 1.008000 0.423800 -9.2764E+00 -1.1608E+01 1.3965E+01 O6 193 15.999400 -0.847600 -1.0574E+01 -1.7161E+01 1.8329E+01 H1 194 1.008000 0.423800 -1.1563E+01 -1.7013E+01 1.8335E+01 H2 195 1.008000 0.423800 -1.0106E+01 -1.6293E+01 1.8490E+01 O6 196 15.999400 -0.847600 -3.6367E+00 1.7191E+01 -5.3997E+00 H1 197 1.008000 0.423800 -3.5342E+00 1.7353E+01 -6.3811E+00 H2 198 1.008000 0.423800 -4.3098E+00 1.6467E+01 -5.2501E+00 O6 199 15.999400 -0.847600 -4.3713E+00 -1.0238E+01 -5.0195E+00 H1 200 1.008000 0.423800 -5.1817E+00 -9.7007E+00 -4.7852E+00 H2 201 1.008000 0.423800 -3.7844E+00 -9.7062E+00 -5.6303E+00 O6 202 15.999400 -0.847600 1.8570E+01 7.0909E+00 -1.4819E+01 H1 203 1.008000 0.423800 1.9010E+01 6.4784E+00 -1.4163E+01 H2 204 1.008000 0.423800 1.8978E+01 8.0012E+00 -1.4752E+01 O6 205 15.999400 -0.847600 1.2636E+01 -7.7909E+00 1.0042E+01 H1 206 1.008000 0.423800 1.3297E+01 -7.9568E+00 1.0774E+01 H2 207 1.008000 0.423800 1.2698E+01 -6.8372E+00 9.7475E+00 O6 208 15.999400 -0.847600 1.3488E+01 5.1352E+00 -8.7979E+00 H1 209 1.008000 0.423800 1.3632E+01 4.5884E+00 -7.9730E+00 H2 210 1.008000 0.423800 1.2508E+01 5.2667E+00 -8.9438E+00 O6 211 15.999400 -0.847600 3.0770E+00 1.8706E+01 3.3350E-01 H1 212 1.008000 0.423800 2.7093E+00 1.7972E+01 9.0512E-01 H2 213 1.008000 0.423800 3.4885E+00 1.9407E+01 9.1536E-01 O6 214 15.999400 -0.847600 2.8904E+00 -6.0937E+00 -4.6656E+00 H1 215 1.008000 0.423800 2.4454E+00 -6.7502E+00 -4.0565E+00 H2 216 1.008000 0.423800 2.9932E+00 -6.4987E+00 -5.5741E+00 O6 217 15.999400 -0.847600 -1.9156E+01 -9.1023E+00 -2.1435E+00 H1 218 1.008000 0.423800 1.9320E+01 -9.4206E+00 -1.4280E+00 H2 219 1.008000 0.423800 -1.8566E+01 -9.8566E+00 -2.4325E+00 O6 220 15.999400 -0.847600 4.6957E+00 -5.3520E+00 6.7071E+00 H1 221 1.008000 0.423800 5.5682E+00 -4.9437E+00 6.4385E+00 H2 222 1.008000 0.423800 4.8418E+00 -6.3043E+00 6.9749E+00 O6 223 15.999400 -0.847600 2.0125E+00 1.7296E+01 1.1452E+01 H1 224 1.008000 0.423800 2.8067E+00 1.6702E+01 1.1578E+01 H2 225 1.008000 0.423800 2.2499E+00 1.8042E+01 1.0828E+01 O6 226 15.999400 -0.847600 -1.1000E+01 1.2382E+01 1.1933E+01 H1 227 1.008000 0.423800 -1.0592E+01 1.3256E+01 1.1668E+01 H2 228 1.008000 0.423800 -1.1899E+01 1.2290E+01 1.1504E+01 O6 229 15.999400 -0.847600 2.3157E+00 1.8384E+01 -1.1712E+01 H1 230 1.008000 0.423800 1.4721E+00 1.8011E+01 -1.1325E+01 H2 231 1.008000 0.423800 2.1299E+00 1.9280E+01 -1.2115E+01 O6 232 15.999400 -0.847600 -1.6278E+01 -2.4612E+00 -1.2649E+01 H1 233 1.008000 0.423800 -1.5638E+01 -2.1718E+00 -1.1938E+01 H2 234 1.008000 0.423800 -1.5892E+01 -3.2354E+00 -1.3151E+01 O6 235 15.999400 -0.847600 1.6501E+01 -9.7177E+00 -2.9709E+00 H1 236 1.008000 0.423800 1.6181E+01 -9.6646E+00 -3.9169E+00 H2 237 1.008000 0.423800 1.5721E+01 -9.6361E+00 -2.3502E+00 O6 238 15.999400 -0.847600 9.1146E+00 -1.0518E+01 8.7719E+00 H1 239 1.008000 0.423800 8.7761E+00 -1.0173E+01 9.6473E+00 H2 240 1.008000 0.423800 8.6432E+00 -1.1370E+01 8.5449E+00 O6 241 15.999400 -0.847600 -1.6987E+01 -1.3473E+00 -1.7111E+01 H1 242 1.008000 0.423800 -1.7228E+01 -6.9887E-01 -1.7833E+01 H2 243 1.008000 0.423800 -1.7648E+01 -1.2768E+00 -1.6364E+01 O6 244 15.999400 -0.847600 -1.5647E+01 -1.9330E+01 1.2323E+01 H1 245 1.008000 0.423800 -1.4794E+01 -1.8915E+01 1.2639E+01 H2 246 1.008000 0.423800 -1.5505E+01 1.8790E+01 1.2167E+01 O6 247 15.999400 -0.847600 5.7117E-01 -6.8277E+00 -2.2094E+00 H1 248 1.008000 0.423800 -1.9778E-01 -6.1988E+00 -2.3245E+00 H2 249 1.008000 0.423800 1.1709E+00 -6.4915E+00 -1.4832E+00 O6 250 15.999400 -0.847600 -5.4799E+00 1.5382E+01 -7.1184E+00 H1 251 1.008000 0.423800 -6.0968E+00 1.5938E+01 -6.5612E+00 H2 252 1.008000 0.423800 -4.9650E+00 1.4761E+01 -6.5272E+00 O6 253 15.999400 -0.847600 6.8414E+00 4.3876E-01 -1.2541E+01 H1 254 1.008000 0.423800 7.5864E+00 8.1113E-01 -1.1988E+01 H2 255 1.008000 0.423800 6.5821E+00 -4.6061E-01 -1.2189E+01 O6 256 15.999400 -0.847600 8.5016E+00 1.3739E+01 7.3191E+00 H1 257 1.008000 0.423800 9.1063E+00 1.3129E+01 6.8071E+00 H2 258 1.008000 0.423800 8.2306E+00 1.4506E+01 6.7367E+00 O6 259 15.999400 -0.847600 -2.5253E+00 1.2435E+01 1.0976E+00 H1 260 1.008000 0.423800 -3.5054E+00 1.2449E+01 1.2957E+00 H2 261 1.008000 0.423800 -2.3090E+00 1.1634E+01 5.3948E-01 O6 262 15.999400 -0.847600 2.4262E+00 -1.9943E+00 2.9142E+00 H1 263 1.008000 0.423800 1.6109E+00 -2.1258E+00 3.4782E+00 H2 264 1.008000 0.423800 2.5326E+00 -1.0225E+00 2.7036E+00 O6 265 15.999400 -0.847600 1.4687E+01 3.6391E+00 -1.0691E+01 H1 266 1.008000 0.423800 1.5636E+01 3.3643E+00 -1.0536E+01 H2 267 1.008000 0.423800 1.4381E+01 4.2206E+00 -9.9365E+00 O6 268 15.999400 -0.847600 -2.3649E+00 -1.2043E+00 8.4440E+00 H1 269 1.008000 0.423800 -2.0073E+00 -2.0664E+00 8.8033E+00 H2 270 1.008000 0.423800 -3.3635E+00 -1.2100E+00 8.4965E+00 O6 271 15.999400 -0.847600 2.1212E+00 9.7348E-02 -1.1833E+01 H1 272 1.008000 0.423800 1.1924E+00 3.9175E-01 -1.2059E+01 H2 273 1.008000 0.423800 2.7779E+00 7.5599E-01 -1.2200E+01 O6 274 15.999400 -0.847600 -3.8191E+00 -1.1208E+01 6.3279E-02 H1 275 1.008000 0.423800 -3.8446E+00 -1.1691E+01 -8.1218E-01 H2 276 1.008000 0.423800 -3.1505E+00 -1.0466E+01 1.5368E-02 O6 277 15.999400 -0.847600 2.8139E+00 3.5491E+00 -1.4791E+01 H1 278 1.008000 0.423800 1.8847E+00 3.2477E+00 -1.5005E+01 H2 279 1.008000 0.423800 3.1805E+00 2.9945E+00 -1.4044E+01 O6 280 15.999400 -0.847600 -1.5496E-01 6.9919E-01 1.1859E+01 H1 281 1.008000 0.423800 -7.0140E-01 1.3201E+00 1.2421E+01 H2 282 1.008000 0.423800 6.8722E-01 1.1588E+00 1.1577E+01 O6 283 15.999400 -0.847600 4.6128E+00 2.2913E+00 1.5493E+01 H1 284 1.008000 0.423800 5.2381E+00 2.9791E+00 1.5862E+01 H2 285 1.008000 0.423800 4.2140E+00 2.6269E+00 1.4640E+01 O6 286 15.999400 -0.847600 -6.4425E+00 -7.6570E+00 1.1588E+01 H1 287 1.008000 0.423800 -6.2297E+00 -8.3266E+00 1.2299E+01 H2 288 1.008000 0.423800 -5.7021E+00 -6.9875E+00 1.1528E+01 O6 289 15.999400 -0.847600 -6.7510E+00 -1.0539E+01 -2.2848E+00 H1 290 1.008000 0.423800 -6.4373E+00 -1.0786E+01 -1.3679E+00 H2 291 1.008000 0.423800 -7.7296E+00 -1.0335E+01 -2.2586E+00 O6 292 15.999400 -0.847600 -2.0607E+00 -6.4073E+00 1.5133E-01 H1 293 1.008000 0.423800 -1.1773E+00 -6.3598E+00 6.1769E-01 H2 294 1.008000 0.423800 -1.9836E+00 -5.9859E+00 -7.5223E-01 O6 295 15.999400 -0.847600 -1.9268E+01 1.6785E+01 1.0249E+00 H1 296 1.008000 0.423800 -1.9469E+01 1.5814E+01 1.1504E+00 H2 297 1.008000 0.423800 1.9086E+01 1.7332E+01 1.4090E+00 O6 298 15.999400 -0.847600 1.0490E+01 1.6713E+01 -1.5446E+01 H1 299 1.008000 0.423800 1.0951E+01 1.5854E+01 -1.5671E+01 H2 300 1.008000 0.423800 9.5237E+00 1.6648E+01 -1.5694E+01 O6 301 15.999400 -0.847600 7.3822E+00 -4.6541E+00 -1.5638E+01 H1 302 1.008000 0.423800 6.4283E+00 -4.9418E+00 -1.5724E+01 H2 303 1.008000 0.423800 7.8808E+00 -4.9012E+00 -1.6469E+01 O6 304 15.999400 -0.847600 1.0929E+01 -1.3500E+01 4.3175E+00 H1 305 1.008000 0.423800 1.0321E+01 -1.4242E+01 4.0328E+00 H2 306 1.008000 0.423800 1.0388E+01 -1.2765E+01 4.7256E+00 O6 307 15.999400 -0.847600 -4.1178E-01 -1.4450E+01 -1.8442E+01 H1 308 1.008000 0.423800 -3.0098E-01 -1.4212E+01 -1.9407E+01 H2 309 1.008000 0.423800 -1.3855E+00 -1.4523E+01 -1.8227E+01 O6 310 15.999400 -0.847600 9.6820E+00 -5.2292E+00 -8.0607E+00 H1 311 1.008000 0.423800 8.8778E+00 -5.8214E+00 -8.1111E+00 H2 312 1.008000 0.423800 1.0050E+01 -5.2451E+00 -7.1309E+00 O6 313 15.999400 -0.847600 -1.5180E+01 -1.0070E+01 4.0088E+00 H1 314 1.008000 0.423800 -1.5016E+01 -9.6906E+00 3.0981E+00 H2 315 1.008000 0.423800 -1.4309E+01 -1.0168E+01 4.4900E+00 O6 316 15.999400 -0.847600 -2.4929E+00 1.8052E+01 -7.7952E+00 H1 317 1.008000 0.423800 -1.6921E+00 1.8585E+01 -7.5221E+00 H2 318 1.008000 0.423800 -3.1170E+00 1.8632E+01 -8.3184E+00 O6 319 15.999400 -0.847600 1.1626E+01 -5.3337E+00 -1.4557E+01 H1 320 1.008000 0.423800 1.1633E+01 -4.4315E+00 -1.4988E+01 H2 321 1.008000 0.423800 1.0713E+01 -5.5247E+00 -1.4198E+01 O6 322 15.999400 -0.847600 1.6452E+01 8.0762E+00 -1.7709E+01 H1 323 1.008000 0.423800 1.6796E+01 8.3225E+00 -1.6803E+01 H2 324 1.008000 0.423800 1.5967E+01 7.2033E+00 -1.7655E+01 O6 325 15.999400 -0.847600 3.2746E+00 -4.0613E+00 -1.5222E+01 H1 326 1.008000 0.423800 3.3159E+00 -3.5282E+00 -1.4377E+01 H2 327 1.008000 0.423800 2.6662E+00 -3.6074E+00 -1.5873E+01 O6 328 15.999400 -0.847600 1.0785E+01 1.6371E+01 -5.9373E+00 H1 329 1.008000 0.423800 1.0110E+01 1.6326E+01 -6.6739E+00 H2 330 1.008000 0.423800 1.1705E+01 1.6373E+01 -6.3283E+00 O6 331 15.999400 -0.847600 1.7225E+01 -2.6646E+00 -7.5545E+00 H1 332 1.008000 0.423800 1.8018E+01 -2.5849E+00 -8.1579E+00 H2 333 1.008000 0.423800 1.6655E+01 -3.4300E+00 -7.8529E+00 O6 334 15.999400 -0.847600 -1.6571E+01 -1.6492E+01 -7.1729E+00 H1 335 1.008000 0.423800 -1.7066E+01 -1.6908E+01 -7.9352E+00 H2 336 1.008000 0.423800 -1.7008E+01 -1.6748E+01 -6.3112E+00 O6 337 15.999400 -0.847600 -1.9362E+00 -8.4713E+00 -1.6894E+01 H1 338 1.008000 0.423800 -1.4397E+00 -8.0052E+00 -1.6161E+01 H2 339 1.008000 0.423800 -2.7874E+00 -7.9818E+00 -1.7083E+01 O6 340 15.999400 -0.847600 2.1552E+00 -7.0049E-01 -1.5638E+01 H1 341 1.008000 0.423800 1.8730E+00 -1.4523E+00 -1.6234E+01 H2 342 1.008000 0.423800 3.1537E+00 -6.5922E-01 -1.5604E+01 O6 343 15.999400 -0.847600 2.1299E+00 1.6485E+01 1.9043E+00 H1 344 1.008000 0.423800 1.6070E+00 1.7168E+01 2.4132E+00 H2 345 1.008000 0.423800 1.5637E+00 1.5673E+01 1.7580E+00 O6 346 15.999400 -0.847600 -1.9415E+01 -7.1029E+00 -3.7105E+00 H1 347 1.008000 0.423800 1.8727E+01 -6.8081E+00 -3.7161E+00 H2 348 1.008000 0.423800 -1.9336E+01 -7.9652E+00 -3.2106E+00 O6 349 15.999400 -0.847600 3.4139E+00 -9.9169E+00 9.0816E+00 H1 350 1.008000 0.423800 4.1278E+00 -9.2983E+00 9.4099E+00 H2 351 1.008000 0.423800 2.6563E+00 -9.3825E+00 8.7070E+00 O6 352 15.999400 -0.847600 -1.7993E+01 -1.3986E+01 -1.0579E+01 H1 353 1.008000 0.423800 -1.7435E+01 -1.4733E+01 -1.0941E+01 H2 354 1.008000 0.423800 -1.7439E+01 -1.3156E+01 -1.0519E+01 O6 355 15.999400 -0.847600 1.8067E+01 -1.2625E+01 -1.8626E+01 H1 356 1.008000 0.423800 1.7765E+01 -1.2024E+01 -1.7886E+01 H2 357 1.008000 0.423800 1.8502E+01 -1.2078E+01 -1.9342E+01 O6 358 15.999400 -0.847600 -9.1567E+00 -1.5904E+01 9.4660E+00 H1 359 1.008000 0.423800 -9.6851E+00 -1.5122E+01 9.7953E+00 H2 360 1.008000 0.423800 -9.6935E+00 -1.6741E+01 9.5791E+00 O6 361 15.999400 -0.847600 -1.1265E+01 -1.0775E+01 8.0766E+00 H1 362 1.008000 0.423800 -1.1032E+01 -9.8260E+00 7.8640E+00 H2 363 1.008000 0.423800 -1.1252E+01 -1.0907E+01 9.0677E+00 O6 364 15.999400 -0.847600 8.2422E+00 3.9676E+00 -9.8860E+00 H1 365 1.008000 0.423800 8.3533E+00 3.0979E+00 -1.0367E+01 H2 366 1.008000 0.423800 7.8719E+00 4.6513E+00 -1.0515E+01 O6 367 15.999400 -0.847600 5.6478E+00 2.9539E+00 -3.0278E+00 H1 368 1.008000 0.423800 5.7156E+00 2.4038E+00 -2.1954E+00 H2 369 1.008000 0.423800 4.7047E+00 2.9406E+00 -3.3601E+00 O6 370 15.999400 -0.847600 1.9296E+01 1.5310E+01 -2.4947E+00 H1 371 1.008000 0.423800 -1.9166E+01 1.4998E+01 -1.7884E+00 H2 372 1.008000 0.423800 -1.9335E+01 1.5953E+01 -3.1020E+00 O6 373 15.999400 -0.847600 1.0383E+01 -1.3410E+01 -1.4828E+01 H1 374 1.008000 0.423800 1.0567E+01 -1.2982E+01 -1.5713E+01 H2 375 1.008000 0.423800 1.0470E+01 -1.4402E+01 -1.4913E+01 O6 376 15.999400 -0.847600 -1.2921E+01 1.9132E+01 -1.8445E+01 H1 377 1.008000 0.423800 -1.3891E+01 1.9069E+01 -1.8209E+01 H2 378 1.008000 0.423800 -1.2634E+01 1.8290E+01 -1.8902E+01 O6 379 15.999400 -0.847600 1.8165E+01 1.2104E+00 1.8738E+01 H1 380 1.008000 0.423800 1.7646E+01 1.1841E+00 1.7884E+01 H2 381 1.008000 0.423800 1.8830E+01 1.9568E+00 1.8701E+01 O6 382 15.999400 -0.847600 1.6482E+00 1.3140E+01 -1.4973E+01 H1 383 1.008000 0.423800 2.4287E+00 1.2643E+01 -1.4594E+01 H2 384 1.008000 0.423800 8.2087E-01 1.2898E+01 -1.4466E+01 O6 385 15.999400 -0.847600 8.1694E+00 -1.5177E+01 1.9382E+01 H1 386 1.008000 0.423800 8.5422E+00 -1.4305E+01 -1.9399E+01 H2 387 1.008000 0.423800 8.4337E+00 -1.5903E+01 -1.9080E+01 O6 388 15.999400 -0.847600 -1.2255E+01 1.7589E+01 9.1895E+00 H1 389 1.008000 0.423800 -1.2975E+01 1.8237E+01 8.9412E+00 H2 390 1.008000 0.423800 -1.1688E+01 1.7983E+01 9.9135E+00 O6 391 15.999400 -0.847600 -5.6599E+00 -5.1633E-01 -1.3221E+01 H1 392 1.008000 0.423800 -6.0949E+00 -9.2694E-01 -1.4022E+01 H2 393 1.008000 0.423800 -4.6972E+00 -7.8515E-01 -1.3189E+01 O6 394 15.999400 -0.847600 -9.1911E+00 -7.2025E+00 -1.3915E+01 H1 395 1.008000 0.423800 -9.2058E+00 -7.8680E+00 -1.4661E+01 H2 396 1.008000 0.423800 -9.0194E+00 -6.2898E+00 -1.4286E+01 O6 397 15.999400 -0.847600 9.9527E+00 -1.1092E+01 1.4247E+01 H1 398 1.008000 0.423800 9.2730E+00 -1.1684E+01 1.3814E+01 H2 399 1.008000 0.423800 9.6238E+00 -1.0148E+01 1.4243E+01 O6 400 15.999400 -0.847600 1.5687E+01 -2.2733E+00 -3.4814E+00 H1 401 1.008000 0.423800 1.5605E+01 -1.7760E+00 -2.6177E+00 H2 402 1.008000 0.423800 1.5528E+01 -3.2475E+00 -3.3215E+00 O6 403 15.999400 -0.847600 1.7140E+00 1.2801E+01 -2.1033E+00 H1 404 1.008000 0.423800 1.2503E+00 1.3687E+01 -2.0895E+00 H2 405 1.008000 0.423800 1.1549E+00 1.2140E+01 -2.6037E+00 O6 406 15.999400 -0.847600 7.2971E-01 -1.7443E+01 -1.0369E+00 H1 407 1.008000 0.423800 1.5746E+00 -1.7041E+01 -6.8409E-01 H2 408 1.008000 0.423800 9.1373E-01 -1.8369E+01 -1.3665E+00 O6 409 15.999400 -0.847600 -1.7963E+01 1.9341E+01 3.7274E+00 H1 410 1.008000 0.423800 -1.7183E+01 1.9001E+01 4.2521E+00 H2 411 1.008000 0.423800 -1.8813E+01 1.9058E+01 4.1722E+00 O6 412 15.999400 -0.847600 -1.6602E+01 -7.2902E+00 -1.6412E+01 H1 413 1.008000 0.423800 -1.5919E+01 -6.6230E+00 -1.6711E+01 H2 414 1.008000 0.423800 -1.6919E+01 -7.0533E+00 -1.5494E+01 O6 415 15.999400 -0.847600 -1.3009E+01 2.1600E-02 -8.9512E+00 H1 416 1.008000 0.423800 -1.3123E+01 -2.9504E-01 -9.8929E+00 H2 417 1.008000 0.423800 -1.2040E+01 1.9221E-01 -8.7720E+00 O6 418 15.999400 -0.847600 -1.8361E+01 -7.7284E+00 1.8228E+01 H1 419 1.008000 0.423800 -1.8731E+01 -6.8000E+00 1.8265E+01 H2 420 1.008000 0.423800 -1.8012E+01 -7.9120E+00 1.7309E+01 O6 421 15.999400 -0.847600 3.4882E+00 1.6532E+01 -1.3601E+01 H1 422 1.008000 0.423800 3.0929E+00 1.7301E+01 -1.3099E+01 H2 423 1.008000 0.423800 3.0961E+00 1.6497E+01 -1.4521E+01 O6 424 15.999400 -0.847600 3.4059E+00 -1.4538E+01 -2.7164E+00 H1 425 1.008000 0.423800 4.2475E+00 -1.5046E+01 -2.5322E+00 H2 426 1.008000 0.423800 3.3313E+00 -1.3773E+01 -2.0765E+00 O6 427 15.999400 -0.847600 1.8213E+01 -1.7974E+01 -8.3668E+00 H1 428 1.008000 0.423800 1.7802E+01 -1.7850E+01 -9.2701E+00 H2 429 1.008000 0.423800 1.7624E+01 -1.7559E+01 -7.6733E+00 O6 430 15.999400 -0.847600 8.9568E-01 -2.5062E+00 -2.5825E+00 H1 431 1.008000 0.423800 4.6504E-02 -2.1817E+00 -2.1658E+00 H2 432 1.008000 0.423800 1.5864E+00 -2.6385E+00 -1.8716E+00 O6 433 15.999400 -0.847600 -1.7878E+01 4.7292E+00 -8.4688E+00 H1 434 1.008000 0.423800 -1.7946E+01 4.0727E+00 -7.7175E+00 H2 435 1.008000 0.423800 -1.6919E+01 4.9696E+00 -8.6156E+00 O6 436 15.999400 -0.847600 3.2833E+00 -9.2546E+00 5.8073E+00 H1 437 1.008000 0.423800 2.8077E+00 -8.5669E+00 6.3559E+00 H2 438 1.008000 0.423800 4.2435E+00 -9.2955E+00 6.0835E+00 O6 439 15.999400 -0.847600 8.2621E+00 -5.0400E+00 8.4872E+00 H1 440 1.008000 0.423800 8.3996E+00 -6.0264E+00 8.3968E+00 H2 441 1.008000 0.423800 8.0916E+00 -4.8137E+00 9.4462E+00 O6 442 15.999400 -0.847600 8.9229E+00 1.3248E+01 1.7364E+01 H1 443 1.008000 0.423800 8.3832E+00 1.2645E+01 1.7952E+01 H2 444 1.008000 0.423800 9.3851E+00 1.2703E+01 1.6663E+01 O6 445 15.999400 -0.847600 -1.1913E+01 1.5527E+00 1.4885E+00 H1 446 1.008000 0.423800 -1.1977E+01 2.1171E+00 2.3115E+00 H2 447 1.008000 0.423800 -1.1244E+01 8.2397E-01 1.6354E+00 O6 448 15.999400 -0.847600 1.8366E+01 -1.7277E+01 8.3373E+00 H1 449 1.008000 0.423800 1.8655E+01 -1.7756E+01 9.1661E+00 H2 450 1.008000 0.423800 1.8870E+01 -1.7636E+01 7.5519E+00 O6 451 15.999400 -0.847600 8.9514E-02 -9.1604E+00 1.5462E+01 H1 452 1.008000 0.423800 -8.1517E-01 -9.5688E+00 1.5583E+01 H2 453 1.008000 0.423800 4.4326E-01 -9.3974E+00 1.4557E+01 O6 454 15.999400 -0.847600 -5.0966E+00 8.5478E+00 -1.2808E+01 H1 455 1.008000 0.423800 -4.2007E+00 8.2477E+00 -1.2481E+01 H2 456 1.008000 0.423800 -5.6996E+00 8.7106E+00 -1.2027E+01 O6 457 15.999400 -0.847600 -5.2526E+00 -9.0179E+00 -1.4915E+01 H1 458 1.008000 0.423800 -5.8531E+00 -8.3692E+00 -1.5383E+01 H2 459 1.008000 0.423800 -4.3702E+00 -8.5838E+00 -1.4734E+01 O6 460 15.999400 -0.847600 -4.3963E+00 -1.8928E+01 2.6465E+00 H1 461 1.008000 0.423800 -3.7630E+00 -1.9085E+01 1.8886E+00 H2 462 1.008000 0.423800 -5.2185E+00 -1.9482E+01 2.5136E+00 O6 463 15.999400 -0.847600 -3.9452E+00 -1.5395E+01 1.8171E+01 H1 464 1.008000 0.423800 -4.7270E+00 -1.5953E+01 1.8449E+01 H2 465 1.008000 0.423800 -3.1259E+00 -1.5967E+01 1.8129E+01 O6 466 15.999400 -0.847600 1.4007E+01 -6.9458E+00 5.2107E+00 H1 467 1.008000 0.423800 1.3930E+01 -7.8337E+00 4.7572E+00 H2 468 1.008000 0.423800 1.3427E+01 -6.2803E+00 4.7414E+00 O6 469 15.999400 -0.847600 -1.7919E+01 -1.8631E+01 -1.2753E+00 H1 470 1.008000 0.423800 -1.7667E+01 1.9546E+01 -9.7477E-01 H2 471 1.008000 0.423800 -1.8706E+01 -1.8686E+01 -1.8907E+00 O6 472 15.999400 -0.847600 -1.3745E+01 -5.6031E+00 -2.6497E+00 H1 473 1.008000 0.423800 -1.3447E+01 -6.4788E+00 -3.0290E+00 H2 474 1.008000 0.423800 -1.2976E+01 -4.9645E+00 -2.6391E+00 O6 475 15.999400 -0.847600 5.1691E+00 1.4620E+01 -7.7698E+00 H1 476 1.008000 0.423800 5.4381E+00 1.3689E+01 -8.0184E+00 H2 477 1.008000 0.423800 4.5184E+00 1.4970E+01 -8.4435E+00 O6 478 15.999400 -0.847600 1.4210E+01 -8.2436E+00 1.2212E+01 H1 479 1.008000 0.423800 1.3675E+01 -8.8665E+00 1.2782E+01 H2 480 1.008000 0.423800 1.4489E+01 -7.4509E+00 1.2754E+01 O6 481 15.999400 -0.847600 -1.4422E+01 1.1767E+01 -6.0016E-01 H1 482 1.008000 0.423800 -1.4941E+01 1.2602E+01 -7.8390E-01 H2 483 1.008000 0.423800 -1.3777E+01 1.1933E+01 1.4577E-01 O6 484 15.999400 -0.847600 1.0389E+01 3.0656E+00 -1.2953E+01 H1 485 1.008000 0.423800 9.4971E+00 3.4329E+00 -1.3216E+01 H2 486 1.008000 0.423800 1.1028E+01 3.8196E+00 -1.2800E+01 O6 487 15.999400 -0.847600 -8.2778E-01 -3.2501E+00 9.8963E+00 H1 488 1.008000 0.423800 -2.0455E-01 -3.9120E+00 9.4798E+00 H2 489 1.008000 0.423800 -3.3431E-01 -2.7120E+00 1.0580E+01 O6 490 15.999400 -0.847600 -1.3903E+01 -1.0379E+01 -2.4934E+00 H1 491 1.008000 0.423800 -1.4614E+01 -1.0016E+01 -3.0952E+00 H2 492 1.008000 0.423800 -1.4307E+01 -1.1040E+01 -1.8610E+00 O6 493 15.999400 -0.847600 -1.4596E+01 -6.5833E+00 -1.3326E+01 H1 494 1.008000 0.423800 -1.5443E+01 -7.1021E+00 -1.3440E+01 H2 495 1.008000 0.423800 -1.3857E+01 -7.0378E+00 -1.3823E+01 O6 496 15.999400 -0.847600 -1.1526E+01 -1.1351E+01 -2.8583E+00 H1 497 1.008000 0.423800 -1.1405E+01 -1.1258E+01 -3.8467E+00 H2 498 1.008000 0.423800 -1.2353E+01 -1.0864E+01 -2.5760E+00 O6 499 15.999400 -0.847600 -1.0382E+01 -1.6822E+01 -8.7475E+00 H1 500 1.008000 0.423800 -9.5268E+00 -1.6925E+01 -9.2553E+00 H2 501 1.008000 0.423800 -1.0709E+01 -1.7722E+01 -8.4588E+00 O6 502 15.999400 -0.847600 -1.8692E+01 1.3768E+01 -7.2276E-01 H1 503 1.008000 0.423800 -1.9149E+01 1.2921E+01 -9.9608E-01 H2 504 1.008000 0.423800 -1.8666E+01 1.3825E+01 2.7524E-01 O6 505 15.999400 -0.847600 -1.1120E+01 -2.3067E+00 1.1871E+01 H1 506 1.008000 0.423800 -1.0945E+01 -2.9291E+00 1.2634E+01 H2 507 1.008000 0.423800 -1.1788E+01 -2.7192E+00 1.1251E+01 O6 508 15.999400 -0.847600 1.9382E+01 1.1962E-02 2.1857E+00 H1 509 1.008000 0.423800 1.8497E+01 -4.4091E-01 2.2958E+00 H2 510 1.008000 0.423800 -1.9127E+01 -5.4512E-01 1.6002E+00 O6 511 15.999400 -0.847600 -2.0360E+00 -7.5417E+00 1.8041E+01 H1 512 1.008000 0.423800 -1.3843E+00 -6.8043E+00 1.7864E+01 H2 513 1.008000 0.423800 -1.6110E+00 -8.2266E+00 1.8633E+01 O6 514 15.999400 -0.847600 1.9016E+01 1.1643E+01 2.3640E+00 H1 515 1.008000 0.423800 1.8289E+01 1.1258E+01 1.7958E+00 H2 516 1.008000 0.423800 1.8652E+01 1.2403E+01 2.9012E+00 O6 517 15.999400 -0.847600 7.0445E+00 -1.7444E+01 8.6983E+00 H1 518 1.008000 0.423800 8.0172E+00 -1.7674E+01 8.6689E+00 H2 519 1.008000 0.423800 6.6454E+00 -1.7790E+01 9.5472E+00 O6 520 15.999400 -0.847600 3.9009E+00 1.4969E+01 -1.1544E+01 H1 521 1.008000 0.423800 2.9828E+00 1.4923E+01 -1.1150E+01 H2 522 1.008000 0.423800 3.9059E+00 1.5620E+01 -1.2303E+01 O6 523 15.999400 -0.847600 -1.3400E+01 1.9285E+01 1.5163E+01 H1 524 1.008000 0.423800 -1.3725E+01 1.8387E+01 1.5459E+01 H2 525 1.008000 0.423800 -1.2522E+01 1.9482E+01 1.5599E+01 O6 526 15.999400 -0.847600 1.9482E+00 4.4480E-01 -1.8665E+01 H1 527 1.008000 0.423800 2.0804E+00 5.8365E-01 1.9451E+01 H2 528 1.008000 0.423800 2.4047E+00 1.1775E+00 -1.8160E+01 O6 529 15.999400 -0.847600 -1.7344E+01 1.8052E+01 -5.0341E-01 H1 530 1.008000 0.423800 -1.6898E+01 1.7582E+01 -1.2652E+00 H2 531 1.008000 0.423800 -1.8143E+01 1.7528E+01 -2.1007E-01 O6 532 15.999400 -0.847600 2.4858E+00 4.7330E+00 -5.7838E+00 H1 533 1.008000 0.423800 3.2673E+00 5.1699E+00 -5.3383E+00 H2 534 1.008000 0.423800 1.7326E+00 5.3872E+00 -5.8521E+00 O6 535 15.999400 -0.847600 -1.6923E+01 6.9957E+00 1.9031E+01 H1 536 1.008000 0.423800 -1.6665E+01 7.1063E+00 1.8072E+01 H2 537 1.008000 0.423800 -1.7416E+01 7.8088E+00 1.9340E+01 O6 538 15.999400 -0.847600 -1.1648E+00 -4.1497E+00 3.2343E+00 H1 539 1.008000 0.423800 -1.0464E+00 -4.3331E+00 4.2102E+00 H2 540 1.008000 0.423800 -1.0707E+00 -3.1685E+00 3.0658E+00 O6 541 15.999400 -0.847600 1.1678E+01 -1.2642E+00 1.1717E+01 H1 542 1.008000 0.423800 1.1881E+01 -2.0264E+00 1.2331E+01 H2 543 1.008000 0.423800 1.1908E+01 -1.5217E+00 1.0778E+01 O6 544 15.999400 -0.847600 -1.6015E+01 -1.2997E+01 3.2304E+00 H1 545 1.008000 0.423800 -1.6877E+01 -1.3314E+01 3.6275E+00 H2 546 1.008000 0.423800 -1.5992E+01 -1.1998E+01 3.2400E+00 O6 547 15.999400 -0.847600 1.6460E+01 5.6369E+00 -1.0477E+00 H1 548 1.008000 0.423800 1.6658E+01 6.3314E+00 -1.7396E+00 H2 549 1.008000 0.423800 1.7318E+01 5.2827E+00 -6.7648E-01 O6 550 15.999400 -0.847600 -3.5895E+00 -6.8413E-01 -3.4630E+00 H1 551 1.008000 0.423800 -3.0220E+00 -1.4250E+00 -3.8223E+00 H2 552 1.008000 0.423800 -4.1319E+00 -2.8998E-01 -4.2049E+00 O6 553 15.999400 -0.847600 1.5782E+01 -1.4806E+01 -1.8512E+00 H1 554 1.008000 0.423800 1.5045E+01 -1.4154E+01 -2.0294E+00 H2 555 1.008000 0.423800 1.5879E+01 -1.5420E+01 -2.6341E+00 O6 556 15.999400 -0.847600 9.6137E+00 3.7647E-01 9.1743E+00 H1 557 1.008000 0.423800 8.9469E+00 1.0878E+00 9.3968E+00 H2 558 1.008000 0.423800 1.0497E+01 6.0890E-01 9.5809E+00 O6 559 15.999400 -0.847600 -5.6546E+00 -1.6694E+01 2.1964E+00 H1 560 1.008000 0.423800 -5.0524E+00 -1.6344E+01 1.4784E+00 H2 561 1.008000 0.423800 -5.2240E+00 -1.7480E+01 2.6388E+00 O6 562 15.999400 -0.847600 -9.5123E+00 1.7604E+00 1.2305E+01 H1 563 1.008000 0.423800 -8.7464E+00 1.2549E+00 1.2703E+01 H2 564 1.008000 0.423800 -9.6577E+00 2.6048E+00 1.2821E+01 O6 565 15.999400 -0.847600 -1.8549E+01 9.1004E+00 1.8802E+01 H1 566 1.008000 0.423800 -1.8139E+01 9.6928E+00 1.9496E+01 H2 567 1.008000 0.423800 -1.8583E+01 9.5847E+00 1.7928E+01 O6 568 15.999400 -0.847600 1.7919E+00 -6.8076E+00 -1.7053E+01 H1 569 1.008000 0.423800 2.3000E+00 -6.2923E+00 -1.7743E+01 H2 570 1.008000 0.423800 2.2863E+00 -7.6488E+00 -1.6834E+01 O6 571 15.999400 -0.847600 -1.9034E+01 -1.7585E+01 6.1850E+00 H1 572 1.008000 0.423800 -1.8625E+01 -1.6817E+01 6.6784E+00 H2 573 1.008000 0.423800 1.9482E+01 -1.7237E+01 5.4499E+00 O6 574 15.999400 -0.847600 8.3062E+00 7.9887E+00 1.1223E+01 H1 575 1.008000 0.423800 8.0955E+00 8.6308E+00 1.0485E+01 H2 576 1.008000 0.423800 7.7320E+00 8.1918E+00 1.2016E+01 O6 577 15.999400 -0.847600 7.4220E+00 -2.8622E-01 1.2994E+01 H1 578 1.008000 0.423800 8.3846E+00 -2.8302E-01 1.3265E+01 H2 579 1.008000 0.423800 6.9925E+00 -1.1359E+00 1.3300E+01 O6 580 15.999400 -0.847600 -1.0934E+01 -1.4349E+01 1.0537E+01 H1 581 1.008000 0.423800 -1.1629E+01 -1.4555E+01 9.8483E+00 H2 582 1.008000 0.423800 -1.1363E+01 -1.4299E+01 1.1439E+01 O6 583 15.999400 -0.847600 1.6897E+01 -7.2056E+00 5.4515E+00 H1 584 1.008000 0.423800 1.6034E+01 -7.5447E+00 5.8261E+00 H2 585 1.008000 0.423800 1.6783E+01 -6.2563E+00 5.1586E+00 O6 586 15.999400 -0.847600 -1.3682E+01 -1.7059E+01 -4.7738E+00 H1 587 1.008000 0.423800 -1.3740E+01 -1.6503E+01 -5.6026E+00 H2 588 1.008000 0.423800 -1.4132E+01 -1.6581E+01 -4.0193E+00 O6 589 15.999400 -0.847600 1.8279E+01 -3.2054E-01 -1.8155E+01 H1 590 1.008000 0.423800 1.7420E+01 -5.7300E-01 -1.7710E+01 H2 591 1.008000 0.423800 1.8093E+01 3.1692E-01 -1.8903E+01 O6 592 15.999400 -0.847600 -8.9183E+00 1.1095E+01 1.0875E+01 H1 593 1.008000 0.423800 -9.6857E+00 1.1521E+01 1.1354E+01 H2 594 1.008000 0.423800 -8.5926E+00 1.0308E+01 1.1399E+01 O6 595 15.999400 -0.847600 3.1736E+00 2.2497E+00 -1.7126E+01 H1 596 1.008000 0.423800 4.0725E+00 1.8217E+00 -1.7032E+01 H2 597 1.008000 0.423800 2.9661E+00 2.7736E+00 -1.6300E+01 O6 598 15.999400 -0.847600 4.1836E+00 -1.5657E+01 -1.0120E+01 H1 599 1.008000 0.423800 4.8535E+00 -1.6322E+01 -9.7906E+00 H2 600 1.008000 0.423800 3.2779E+00 -1.6080E+01 -1.0145E+01 O6 601 15.999400 -0.847600 -1.2315E+01 1.4534E+01 4.6656E+00 H1 602 1.008000 0.423800 -1.2607E+01 1.3642E+01 5.0104E+00 H2 603 1.008000 0.423800 -1.2785E+01 1.5257E+01 5.1719E+00 O6 604 15.999400 -0.847600 1.3720E+01 1.4091E+00 -1.2108E+01 H1 605 1.008000 0.423800 1.3996E+01 1.9248E+00 -1.1297E+01 H2 606 1.008000 0.423800 1.2777E+01 1.0960E+00 -1.1999E+01 O6 607 15.999400 -0.847600 1.2533E+01 1.7793E+01 1.6769E+01 H1 608 1.008000 0.423800 1.2611E+01 1.6946E+01 1.6242E+01 H2 609 1.008000 0.423800 1.2924E+01 1.7656E+01 1.7679E+01 O6 610 15.999400 -0.847600 1.4823E+01 -8.2343E+00 -1.3886E+01 H1 611 1.008000 0.423800 1.5316E+01 -8.5264E+00 -1.3066E+01 H2 612 1.008000 0.423800 1.5389E+01 -8.4035E+00 -1.4693E+01 O6 613 15.999400 -0.847600 8.5881E-01 1.8961E+01 -1.5670E+00 H1 614 1.008000 0.423800 1.5737E+00 1.8806E+01 -8.8526E-01 H2 615 1.008000 0.423800 3.1827E-01 1.8128E+01 -1.6795E+00 O6 616 15.999400 -0.847600 -3.3902E+00 -7.2243E+00 -8.7290E+00 H1 617 1.008000 0.423800 -3.1188E+00 -6.3429E+00 -9.1158E+00 H2 618 1.008000 0.423800 -4.3467E+00 -7.4075E+00 -8.9561E+00 O6 619 15.999400 -0.847600 -1.5746E+01 -6.0980E+00 -5.6652E-01 H1 620 1.008000 0.423800 -1.6227E+01 -5.5278E+00 -1.2323E+00 H2 621 1.008000 0.423800 -1.4759E+01 -5.9986E+00 -6.9432E-01 O6 622 15.999400 -0.847600 1.1663E+01 -1.7561E+00 -1.8424E+01 H1 623 1.008000 0.423800 1.2637E+01 -1.7402E+00 -1.8651E+01 H2 624 1.008000 0.423800 1.1173E+01 -1.1182E+00 -1.9018E+01 O6 625 15.999400 -0.847600 1.2079E+01 -1.5503E+01 -3.2435E-01 H1 626 1.008000 0.423800 1.1587E+01 -1.5971E+01 4.0982E-01 H2 627 1.008000 0.423800 1.2897E+01 -1.5065E+01 4.8820E-02 O6 628 15.999400 -0.847600 1.4250E+01 1.6925E+01 -4.9207E+00 H1 629 1.008000 0.423800 1.4738E+01 1.6116E+01 -4.5945E+00 H2 630 1.008000 0.423800 1.3628E+01 1.7249E+01 -4.2075E+00 O6 631 15.999400 -0.847600 3.3442E+00 -2.3137E+00 -1.3045E+01 H1 632 1.008000 0.423800 2.9868E+00 -1.4863E+00 -1.2612E+01 H2 633 1.008000 0.423800 2.9842E+00 -3.1188E+00 -1.2574E+01 O6 634 15.999400 -0.847600 1.7914E+01 9.6758E-01 -7.6113E+00 H1 635 1.008000 0.423800 1.7842E+01 7.6090E-01 -8.5871E+00 H2 636 1.008000 0.423800 1.7294E+01 3.7353E-01 -7.0985E+00 O6 637 15.999400 -0.847600 1.6567E+01 1.2244E+01 -4.6303E+00 H1 638 1.008000 0.423800 1.6179E+01 1.2531E+01 -5.5060E+00 H2 639 1.008000 0.423800 1.7496E+01 1.2605E+01 -4.5427E+00 O6 640 15.999400 -0.847600 -1.4798E+01 3.4157E+00 1.3751E+01 H1 641 1.008000 0.423800 -1.4827E+01 2.4276E+00 1.3902E+01 H2 642 1.008000 0.423800 -1.4786E+01 3.8871E+00 1.4633E+01 O6 643 15.999400 -0.847600 -9.9535E+00 1.2221E+01 4.8831E+00 H1 644 1.008000 0.423800 -9.5526E+00 1.3137E+01 4.8421E+00 H2 645 1.008000 0.423800 -1.0854E+01 1.2271E+01 5.3156E+00 O6 646 15.999400 -0.847600 1.6523E+01 -9.8980E+00 -1.2322E+01 H1 647 1.008000 0.423800 1.7449E+01 -1.0123E+01 -1.2625E+01 H2 648 1.008000 0.423800 1.5915E+01 -1.0671E+01 -1.2505E+01 O6 649 15.999400 -0.847600 5.8266E-01 1.5408E+00 -3.8265E+00 H1 650 1.008000 0.423800 8.1443E-01 1.0518E+00 -2.9855E+00 H2 651 1.008000 0.423800 -1.7973E-01 2.1635E+00 -3.6505E+00 O6 652 15.999400 -0.847600 1.8945E+01 1.1371E+01 -1.4489E+00 H1 653 1.008000 0.423800 1.9207E+01 1.0407E+01 -1.4143E+00 H2 654 1.008000 0.423800 1.8114E+01 1.1510E+01 -9.1022E-01 O6 655 15.999400 -0.847600 1.4527E+01 1.7924E+01 9.1899E+00 H1 656 1.008000 0.423800 1.4388E+01 1.8483E+01 8.3725E+00 H2 657 1.008000 0.423800 1.5206E+01 1.7215E+01 8.9970E+00 O6 658 15.999400 -0.847600 1.2108E+01 6.3877E+00 -1.7392E+01 H1 659 1.008000 0.423800 1.1978E+01 7.2319E+00 -1.7912E+01 H2 660 1.008000 0.423800 1.2185E+01 6.6044E+00 -1.6419E+01 O6 661 15.999400 -0.847600 -2.9753E+00 -1.2718E+01 -8.9088E+00 H1 662 1.008000 0.423800 -3.1725E+00 -1.2611E+01 -7.9343E+00 H2 663 1.008000 0.423800 -3.5571E+00 -1.2099E+01 -9.4367E+00 O6 664 15.999400 -0.847600 -1.7861E+01 1.1009E+01 -1.0397E+01 H1 665 1.008000 0.423800 -1.8420E+01 1.1439E+01 -9.6879E+00 H2 666 1.008000 0.423800 -1.8208E+01 1.0090E+01 -1.0582E+01 O6 667 15.999400 -0.847600 1.3878E+01 -1.6755E+01 1.7905E+01 H1 668 1.008000 0.423800 1.4451E+01 -1.6719E+01 1.8724E+01 H2 669 1.008000 0.423800 1.4276E+01 -1.7394E+01 1.7247E+01 O6 670 15.999400 -0.847600 1.1451E+01 -1.9115E+01 -3.7965E+00 H1 671 1.008000 0.423800 1.1569E+01 -1.8127E+01 -3.8897E+00 H2 672 1.008000 0.423800 1.0542E+01 -1.9309E+01 -3.4284E+00 O6 673 15.999400 -0.847600 -5.4799E+00 1.3299E+01 8.3139E+00 H1 674 1.008000 0.423800 -6.3713E+00 1.3479E+01 8.7299E+00 H2 675 1.008000 0.423800 -5.0439E+00 1.4166E+01 8.0727E+00 O6 676 15.999400 -0.847600 1.5893E+01 1.0269E+01 -1.6868E+00 H1 677 1.008000 0.423800 1.5894E+01 1.1258E+01 -1.5351E+00 H2 678 1.008000 0.423800 1.5033E+01 9.9990E+00 -2.1182E+00 O6 679 15.999400 -0.847600 1.0774E+01 -3.8758E+00 7.4019E+00 H1 680 1.008000 0.423800 9.9712E+00 -4.3552E+00 7.7563E+00 H2 681 1.008000 0.423800 1.0571E+01 -3.5123E+00 6.4928E+00 O6 682 15.999400 -0.847600 -4.6043E+00 -1.4764E+01 1.0168E+01 H1 683 1.008000 0.423800 -5.3301E+00 -1.5451E+01 1.0166E+01 H2 684 1.008000 0.423800 -3.8466E+00 -1.5077E+01 9.5959E+00 O6 685 15.999400 -0.847600 -6.6065E+00 3.0174E+00 6.4749E+00 H1 686 1.008000 0.423800 -7.1653E+00 3.1432E+00 5.6551E+00 H2 687 1.008000 0.423800 -6.8877E+00 2.1807E+00 6.9447E+00 O6 688 15.999400 -0.847600 -8.9972E+00 -1.8999E+01 1.7468E+01 H1 689 1.008000 0.423800 -9.6555E+00 -1.8401E+01 1.7925E+01 H2 690 1.008000 0.423800 -8.1962E+00 -1.8466E+01 1.7196E+01 O6 691 15.999400 -0.847600 -1.1161E+01 -1.1233E+00 1.6329E+01 H1 692 1.008000 0.423800 -1.0261E+01 -8.2087E-01 1.6016E+01 H2 693 1.008000 0.423800 -1.1354E+01 -7.2209E-01 1.7225E+01 O6 694 15.999400 -0.847600 -1.2712E+00 3.9672E+00 3.8009E+00 H1 695 1.008000 0.423800 -3.2205E-01 3.8118E+00 4.0747E+00 H2 696 1.008000 0.423800 -1.8130E+00 3.1502E+00 3.9981E+00 O6 697 15.999400 -0.847600 4.8598E+00 7.7019E+00 1.3198E+01 H1 698 1.008000 0.423800 4.4081E+00 8.5941E+00 1.3191E+01 H2 699 1.008000 0.423800 5.8247E+00 7.8188E+00 1.3433E+01 O6 700 15.999400 -0.847600 9.5916E+00 -4.2006E+00 1.7329E+01 H1 701 1.008000 0.423800 1.0291E+01 -4.9068E+00 1.7217E+01 H2 702 1.008000 0.423800 9.9466E+00 -3.3252E+00 1.7001E+01 O6 703 15.999400 -0.847600 1.8515E+01 1.7906E+01 -5.5494E+00 H1 704 1.008000 0.423800 1.8349E+01 1.8169E+01 -6.4998E+00 H2 705 1.008000 0.423800 1.7677E+01 1.7525E+01 -5.1581E+00 O6 706 15.999400 -0.847600 -8.3757E+00 1.0330E+01 5.7776E+00 H1 707 1.008000 0.423800 -8.5769E+00 9.9373E+00 6.6750E+00 H2 708 1.008000 0.423800 -7.4398E+00 1.0682E+01 5.7704E+00 O6 709 15.999400 -0.847600 1.7378E+01 1.8406E+01 1.4236E+01 H1 710 1.008000 0.423800 1.6901E+01 1.7981E+01 1.5005E+01 H2 711 1.008000 0.423800 1.6710E+01 1.8699E+01 1.3551E+01 O6 712 15.999400 -0.847600 -1.6567E+01 -8.6790E+00 -9.6751E+00 H1 713 1.008000 0.423800 -1.6838E+01 -9.5881E+00 -9.3590E+00 H2 714 1.008000 0.423800 -1.5839E+01 -8.7662E+00 -1.0355E+01 O6 715 15.999400 -0.847600 1.2877E+01 -1.6689E+01 4.8806E+00 H1 716 1.008000 0.423800 1.3115E+01 -1.5732E+01 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6.4048E+00 -5.5700E+00 -5.0959E+00 H1 767 1.008000 0.423800 7.2348E+00 -5.6562E+00 -4.5449E+00 H2 768 1.008000 0.423800 5.6198E+00 -5.4203E+00 -4.4947E+00 O6 769 15.999400 -0.847600 1.7608E+01 3.6057E+00 -8.1450E+00 H1 770 1.008000 0.423800 1.7794E+01 2.7499E+00 -7.6622E+00 H2 771 1.008000 0.423800 1.7330E+01 3.4047E+00 -9.0843E+00 O6 772 15.999400 -0.847600 -1.8245E+01 -5.1905E-01 1.7822E+01 H1 773 1.008000 0.423800 -1.8122E+01 -1.3543E-01 1.8737E+01 H2 774 1.008000 0.423800 -1.7364E+01 -5.4259E-01 1.7349E+01 O6 775 15.999400 -0.847600 1.6984E+01 1.2709E+01 1.5969E+01 H1 776 1.008000 0.423800 1.6820E+01 1.3143E+01 1.6855E+01 H2 777 1.008000 0.423800 1.7185E+01 1.3412E+01 1.5286E+01 O6 778 15.999400 -0.847600 -1.2818E+01 1.6034E+01 -2.1749E+00 H1 779 1.008000 0.423800 -1.2193E+01 1.6464E+01 -2.8270E+00 H2 780 1.008000 0.423800 -1.2520E+01 1.6240E+01 -1.2428E+00 O6 781 15.999400 -0.847600 3.3168E+00 -8.2724E+00 3.1055E+00 H1 782 1.008000 0.423800 3.3012E+00 -8.5584E+00 4.0636E+00 H2 783 1.008000 0.423800 3.2447E+00 -9.0772E+00 2.5163E+00 O6 784 15.999400 -0.847600 9.8385E+00 1.2182E+01 -1.2107E+01 H1 785 1.008000 0.423800 9.2522E+00 1.2924E+01 -1.2433E+01 H2 786 1.008000 0.423800 9.3121E+00 1.1580E+01 -1.1506E+01 O6 787 15.999400 -0.847600 6.3019E+00 1.4213E+01 -1.0739E+01 H1 788 1.008000 0.423800 5.3639E+00 1.4520E+01 -1.0902E+01 H2 789 1.008000 0.423800 6.2911E+00 1.3273E+01 -1.0400E+01 O6 790 15.999400 -0.847600 -4.5416E+00 1.4474E+01 -9.5570E+00 H1 791 1.008000 0.423800 -4.8040E+00 1.4866E+01 -8.6751E+00 H2 792 1.008000 0.423800 -4.1081E+00 1.5178E+01 -1.0119E+01 O6 793 15.999400 -0.847600 1.1059E+01 -1.1642E+01 -1.6966E+01 H1 794 1.008000 0.423800 1.0920E+01 -1.0653E+01 -1.6908E+01 H2 795 1.008000 0.423800 1.2020E+01 -1.1833E+01 -1.7165E+01 O6 796 15.999400 -0.847600 -8.7112E-01 1.9542E+01 1.0051E+01 H1 797 1.008000 0.423800 -2.6364E-01 -1.8934E+01 9.5570E+00 H2 798 1.008000 0.423800 -5.4002E-01 1.9426E+01 1.0987E+01 O6 799 15.999400 -0.847600 1.8216E+01 -1.9546E+01 -1.6628E+01 H1 800 1.008000 0.423800 1.8092E+01 -1.8603E+01 -1.6319E+01 H2 801 1.008000 0.423800 1.7720E+01 1.9414E+01 -1.7485E+01 O6 802 15.999400 -0.847600 1.8954E+01 -1.6872E-01 1.1089E+01 H1 803 1.008000 0.423800 -1.9170E+01 5.8030E-02 1.1066E+01 H2 804 1.008000 0.423800 1.8818E+01 -9.9857E-01 1.1631E+01 O6 805 15.999400 -0.847600 -1.5889E+01 -1.0647E+01 1.3082E+01 H1 806 1.008000 0.423800 -1.6174E+01 -1.1209E+01 1.2306E+01 H2 807 1.008000 0.423800 -1.6394E+01 -1.0926E+01 1.3899E+01 O6 808 15.999400 -0.847600 1.5812E+01 2.4657E+00 9.1816E-01 H1 809 1.008000 0.423800 1.6773E+01 2.1952E+00 9.7224E-01 H2 810 1.008000 0.423800 1.5664E+01 3.2822E+00 1.4761E+00 O6 811 15.999400 -0.847600 -7.7383E+00 1.5459E+01 -4.9766E+00 H1 812 1.008000 0.423800 -8.6148E+00 1.5548E+01 -4.5034E+00 H2 813 1.008000 0.423800 -7.3649E+00 1.4545E+01 -4.8182E+00 O6 814 15.999400 -0.847600 -1.3485E+01 1.8969E+01 5.3393E+00 H1 815 1.008000 0.423800 -1.3719E+01 -1.9157E+01 5.3071E+00 H2 816 1.008000 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-5.0721E+00 H1 833 1.008000 0.423800 1.7911E+01 -1.1171E+01 -5.2837E+00 H2 834 1.008000 0.423800 1.8474E+01 -1.0149E+01 -4.1417E+00 O6 835 15.999400 -0.847600 1.7979E+01 -3.7440E+00 1.1975E+01 H1 836 1.008000 0.423800 1.8367E+01 -3.4341E+00 1.2843E+01 H2 837 1.008000 0.423800 1.8376E+01 -4.6283E+00 1.1729E+01 O6 838 15.999400 -0.847600 -2.4665E+00 9.0095E+00 9.8901E+00 H1 839 1.008000 0.423800 -2.4479E+00 1.0005E+01 9.9818E+00 H2 840 1.008000 0.423800 -1.7951E+00 8.7253E+00 9.2056E+00 O6 841 15.999400 -0.847600 -1.3381E+01 1.1952E+01 -1.1918E+01 H1 842 1.008000 0.423800 -1.2744E+01 1.2710E+01 -1.1778E+01 H2 843 1.008000 0.423800 -1.3042E+01 1.1140E+01 -1.1441E+01 O6 844 15.999400 -0.847600 4.3191E+00 -1.7054E+01 1.4715E+01 H1 845 1.008000 0.423800 4.8415E+00 -1.6280E+01 1.4359E+01 H2 846 1.008000 0.423800 3.9800E+00 -1.6835E+01 1.5630E+01 O6 847 15.999400 -0.847600 9.0458E+00 -9.6713E+00 -1.6269E+01 H1 848 1.008000 0.423800 9.1686E+00 -8.9515E+00 -1.6953E+01 H2 849 1.008000 0.423800 8.7416E+00 -9.2646E+00 -1.5408E+01 O6 850 15.999400 -0.847600 -3.5417E+00 1.1371E+01 4.8240E+00 H1 851 1.008000 0.423800 -3.1313E+00 1.0761E+01 4.1460E+00 H2 852 1.008000 0.423800 -2.9264E+00 1.2140E+01 4.9960E+00 O6 853 15.999400 -0.847600 -1.7038E+01 -4.0129E+00 6.3328E+00 H1 854 1.008000 0.423800 -1.7720E+01 -3.4722E+00 5.8406E+00 H2 855 1.008000 0.423800 -1.6207E+01 -3.4693E+00 6.4562E+00 O6 856 15.999400 -0.847600 6.6059E+00 -1.0405E+01 -1.2469E+01 H1 857 1.008000 0.423800 7.1591E+00 -1.0348E+01 -1.1638E+01 H2 858 1.008000 0.423800 6.9692E+00 -1.1123E+01 -1.3062E+01 O6 859 15.999400 -0.847600 7.8741E+00 3.9152E+00 -1.6769E+01 H1 860 1.008000 0.423800 6.9426E+00 4.0560E+00 -1.6434E+01 H2 861 1.008000 0.423800 8.0872E+00 2.9382E+00 -1.6761E+01 O6 862 15.999400 -0.847600 8.0966E+00 4.3118E+00 -1.4038E+01 H1 863 1.008000 0.423800 7.4304E+00 3.5793E+00 -1.3898E+01 H2 864 1.008000 0.423800 8.2218E+00 4.4654E+00 -1.5019E+01 O6 865 15.999400 -0.847600 1.4590E+01 -1.2214E+01 1.2953E+01 H1 866 1.008000 0.423800 1.5558E+01 -1.2419E+01 1.2808E+01 H2 867 1.008000 0.423800 1.4162E+01 -1.1989E+01 1.2078E+01 O6 868 15.999400 -0.847600 -9.5267E+00 -1.1557E+01 2.2188E+00 H1 869 1.008000 0.423800 -9.0727E+00 -1.0697E+01 1.9842E+00 H2 870 1.008000 0.423800 -9.8746E+00 -1.1988E+01 1.3864E+00 O6 871 15.999400 -0.847600 1.8524E+01 7.6545E+00 4.7502E+00 H1 872 1.008000 0.423800 1.9197E+01 7.8849E+00 4.0478E+00 H2 873 1.008000 0.423800 1.8771E+01 8.1028E+00 5.6091E+00 O6 874 15.999400 -0.847600 -8.9359E+00 1.2680E+01 1.8353E+01 H1 875 1.008000 0.423800 -9.8408E+00 1.3017E+01 1.8614E+01 H2 876 1.008000 0.423800 -8.2608E+00 1.2985E+01 1.9025E+01 O6 877 15.999400 -0.847600 -1.3573E+01 -3.0884E+00 -1.8839E+01 H1 878 1.008000 0.423800 -1.2913E+01 -3.0436E+00 -1.8089E+01 H2 879 1.008000 0.423800 -1.3110E+01 -3.3909E+00 1.9425E+01 O6 880 15.999400 -0.847600 -1.0609E+01 1.4467E+01 -1.2047E+01 H1 881 1.008000 0.423800 -1.0338E+01 1.3633E+01 -1.1568E+01 H2 882 1.008000 0.423800 -1.0511E+01 1.5251E+01 -1.1433E+01 O6 883 15.999400 -0.847600 -9.0860E+00 -2.1034E+00 -1.3412E+01 H1 884 1.008000 0.423800 -8.9229E+00 -3.0455E+00 -1.3705E+01 H2 885 1.008000 0.423800 -9.0717E+00 -2.0581E+00 -1.2413E+01 O6 886 15.999400 -0.847600 -1.1880E+01 -1.0299E+01 3.7301E+00 H1 887 1.008000 0.423800 -1.2161E+01 -1.0632E+01 4.6299E+00 H2 888 1.008000 0.423800 -1.1321E+01 -1.0993E+01 3.2771E+00 O6 889 15.999400 -0.847600 8.1272E+00 -1.7894E+01 1.2713E+01 H1 890 1.008000 0.423800 8.1355E+00 -1.7012E+01 1.3183E+01 H2 891 1.008000 0.423800 8.5565E+00 -1.8586E+01 1.3294E+01 O6 892 15.999400 -0.847600 4.3345E+00 1.4673E+01 1.5492E+01 H1 893 1.008000 0.423800 3.8107E+00 1.4335E+01 1.4710E+01 H2 894 1.008000 0.423800 4.1306E+00 1.4116E+01 1.6297E+01 O6 895 15.999400 -0.847600 1.8089E+01 -1.6600E+01 4.5599E+00 H1 896 1.008000 0.423800 1.7962E+01 -1.6888E+01 3.6107E+00 H2 897 1.008000 0.423800 1.7641E+01 -1.5718E+01 4.7037E+00 O6 898 15.999400 -0.847600 9.5947E-01 -8.6948E+00 8.3954E+00 H1 899 1.008000 0.423800 4.1528E-01 -8.1711E+00 7.7399E+00 H2 900 1.008000 0.423800 1.0081E+00 -8.1970E+00 9.2613E+00 O6 901 15.999400 -0.847600 -1.0688E+01 1.2922E+01 -1.8233E+01 H1 902 1.008000 0.423800 -1.0818E+01 1.3908E+01 -1.8336E+01 H2 903 1.008000 0.423800 -1.1572E+01 1.2460E+01 -1.8309E+01 O6 904 15.999400 -0.847600 -4.7267E+00 1.9039E+01 -1.1445E+01 H1 905 1.008000 0.423800 -5.5556E+00 1.8674E+01 -1.1869E+01 H2 906 1.008000 0.423800 -4.1375E+00 1.9434E+01 -1.2150E+01 O6 907 15.999400 -0.847600 -7.0637E+00 7.9392E+00 1.6882E+01 H1 908 1.008000 0.423800 -7.8822E+00 7.5128E+00 1.7267E+01 H2 909 1.008000 0.423800 -6.2495E+00 7.4893E+00 1.7249E+01 O6 910 15.999400 -0.847600 -4.7526E+00 -7.4594E+00 4.3629E+00 H1 911 1.008000 0.423800 -4.7207E+00 -8.4042E+00 4.0366E+00 H2 912 1.008000 0.423800 -4.0038E+00 -6.9394E+00 3.9518E+00 O6 913 15.999400 -0.847600 -1.7025E+01 1.4572E+00 -2.9268E+00 H1 914 1.008000 0.423800 -1.8024E+01 1.4291E+00 -2.8911E+00 H2 915 1.008000 0.423800 -1.6731E+01 2.2949E+00 -3.3872E+00 O6 916 15.999400 -0.847600 1.1734E+01 1.4431E+01 -1.6104E+01 H1 917 1.008000 0.423800 1.1808E+01 1.3629E+01 -1.6697E+01 H2 918 1.008000 0.423800 1.1829E+01 1.4150E+01 -1.5149E+01 O6 919 15.999400 -0.847600 5.7786E-01 -1.2235E+00 -9.7441E+00 H1 920 1.008000 0.423800 1.0045E+00 -1.5283E+00 -8.8926E+00 H2 921 1.008000 0.423800 1.2884E+00 -9.8574E-01 -1.0406E+01 O6 922 15.999400 -0.847600 -1.1991E+00 1.1291E+01 1.5763E+01 H1 923 1.008000 0.423800 -1.9556E+00 1.1805E+01 1.6168E+01 H2 924 1.008000 0.423800 -8.7310E-01 1.1766E+01 1.4946E+01 O6 925 15.999400 -0.847600 5.1556E+00 9.9312E+00 4.2121E+00 H1 926 1.008000 0.423800 6.0860E+00 1.0247E+01 4.3992E+00 H2 927 1.008000 0.423800 4.6180E+00 1.0685E+01 3.8341E+00 O6 928 15.999400 -0.847600 1.3159E+00 1.1981E+01 7.3454E+00 H1 929 1.008000 0.423800 1.8085E+00 1.1178E+01 7.6826E+00 H2 930 1.008000 0.423800 5.2988E-01 1.1685E+01 6.8024E+00 O6 931 15.999400 -0.847600 -1.8204E+01 5.8993E+00 1.5236E+01 H1 932 1.008000 0.423800 -1.9097E+01 6.3476E+00 1.5263E+01 H2 933 1.008000 0.423800 -1.7556E+01 6.4120E+00 1.5799E+01 O6 934 15.999400 -0.847600 4.3040E+00 8.3877E+00 1.0260E+01 H1 935 1.008000 0.423800 4.2804E+00 8.4060E+00 1.1260E+01 H2 936 1.008000 0.423800 4.5317E+00 7.4650E+00 9.9489E+00 O6 937 15.999400 -0.847600 6.0189E+00 -8.2883E+00 -9.3241E+00 H1 938 1.008000 0.423800 6.7052E+00 -8.6582E+00 -9.9504E+00 H2 939 1.008000 0.423800 5.5909E+00 -9.0374E+00 -8.8186E+00 O6 940 15.999400 -0.847600 -1.8546E-01 2.7202E+00 -1.7689E+01 H1 941 1.008000 0.423800 -9.1910E-01 2.1243E+00 -1.8016E+01 H2 942 1.008000 0.423800 1.4975E-01 2.3843E+00 -1.6809E+01 O6 943 15.999400 -0.847600 4.1586E+00 -4.1888E+00 9.0102E+00 H1 944 1.008000 0.423800 4.5903E+00 -3.2894E+00 8.9411E+00 H2 945 1.008000 0.423800 4.3050E+00 -4.6950E+00 8.1603E+00 O6 946 15.999400 -0.847600 -9.3523E+00 -1.9042E+00 -6.3290E+00 H1 947 1.008000 0.423800 -8.7588E+00 -1.7925E+00 -5.5319E+00 H2 948 1.008000 0.423800 -1.0309E+01 -1.8617E+00 -6.0407E+00 O6 949 15.999400 -0.847600 1.3855E+01 -8.5204E-01 1.1990E+00 H1 950 1.008000 0.423800 1.3111E+01 -3.1698E-01 7.9972E-01 H2 951 1.008000 0.423800 1.3882E+01 -7.0101E-01 2.1871E+00 O6 952 15.999400 -0.847600 1.1816E+01 1.6097E+01 2.9779E-01 H1 953 1.008000 0.423800 1.2213E+01 1.6983E+01 5.4011E-01 H2 954 1.008000 0.423800 1.1381E+01 1.6162E+01 -6.0062E-01 O6 955 15.999400 -0.847600 4.8085E+00 -1.1407E+01 -5.3633E+00 H1 956 1.008000 0.423800 5.6354E+00 -1.1960E+01 -5.4668E+00 H2 957 1.008000 0.423800 4.0065E+00 -1.1964E+01 -5.5806E+00 O6 958 15.999400 -0.847600 -8.7310E+00 -4.1709E+00 -4.9054E-01 H1 959 1.008000 0.423800 -7.8540E+00 -4.6488E+00 -4.4065E-01 H2 960 1.008000 0.423800 -8.8169E+00 -3.5497E+00 2.8840E-01 O6 961 15.999400 -0.847600 7.9840E+00 1.9414E+01 -4.5392E+00 H1 962 1.008000 0.423800 8.1463E+00 -1.9059E+01 -3.7752E+00 H2 963 1.008000 0.423800 7.2615E+00 -1.9314E+01 -5.1237E+00 O6 964 15.999400 -0.847600 1.9413E+01 4.3685E+00 1.1052E+01 H1 965 1.008000 0.423800 1.8899E+01 3.9040E+00 1.1772E+01 H2 966 1.008000 0.423800 -1.8892E+01 4.8285E+00 1.1452E+01 O6 967 15.999400 -0.847600 -1.0691E+01 -8.1504E+00 1.5143E+01 H1 968 1.008000 0.423800 -1.0992E+01 -7.8337E+00 1.4243E+01 H2 969 1.008000 0.423800 -1.1034E+01 -9.0764E+00 1.5302E+01 O6 970 15.999400 -0.847600 1.4010E+01 5.6156E+00 3.9775E-01 H1 971 1.008000 0.423800 1.4672E+01 5.2577E+00 1.0568E+00 H2 972 1.008000 0.423800 1.4433E+01 5.6616E+00 -5.0728E-01 O6 973 15.999400 -0.847600 -4.5524E+00 -1.2860E+01 1.6452E+01 H1 974 1.008000 0.423800 -4.2579E+00 -1.3583E+01 1.7077E+01 H2 975 1.008000 0.423800 -3.8673E+00 -1.2741E+01 1.5734E+01 O6 976 15.999400 -0.847600 5.0079E+00 -7.2020E+00 -1.3191E+01 H1 977 1.008000 0.423800 5.4607E+00 -6.8894E+00 -1.2356E+01 H2 978 1.008000 0.423800 4.5742E+00 -8.0873E+00 -1.3024E+01 O6 979 15.999400 -0.847600 3.0692E+00 -4.9610E+00 -1.1548E+01 H1 980 1.008000 0.423800 3.8887E+00 -5.4574E+00 -1.1834E+01 H2 981 1.008000 0.423800 3.0232E+00 -4.9417E+00 -1.0549E+01 O6 982 15.999400 -0.847600 -1.2596E+01 -8.2788E-01 1.3828E+01 H1 983 1.008000 0.423800 -1.2139E+01 -1.3240E+00 1.3090E+01 H2 984 1.008000 0.423800 -1.1959E+01 -7.0141E-01 1.4589E+01 O6 985 15.999400 -0.847600 -1.9721E+00 -8.2974E+00 6.9918E+00 H1 986 1.008000 0.423800 -2.8670E+00 -8.0908E+00 7.3875E+00 H2 987 1.008000 0.423800 -1.5926E+00 -7.4708E+00 6.5762E+00 O6 988 15.999400 -0.847600 8.5349E+00 1.0034E+01 9.0885E+00 H1 989 1.008000 0.423800 8.1541E+00 9.4453E+00 8.3753E+00 H2 990 1.008000 0.423800 9.4851E+00 1.0253E+01 8.8672E+00 O6 991 15.999400 -0.847600 -1.0891E+01 -7.3193E+00 -1.6316E+00 H1 992 1.008000 0.423800 -1.1592E+01 -7.1244E+00 -9.4561E-01 H2 993 1.008000 0.423800 -1.0674E+01 -6.4819E+00 -2.1331E+00 O6 994 15.999400 -0.847600 1.6024E+01 6.8617E+00 4.3597E+00 H1 995 1.008000 0.423800 1.5463E+01 7.4065E+00 4.9833E+00 H2 996 1.008000 0.423800 1.6980E+01 7.1423E+00 4.4399E+00 O6 997 15.999400 -0.847600 1.1874E+01 -1.7614E+01 9.3999E+00 H1 998 1.008000 0.423800 1.1885E+01 -1.8341E+01 1.0086E+01 H2 999 1.008000 0.423800 1.2278E+01 -1.6785E+01 9.7867E+00 O6 1000 15.999400 -0.847600 8.0938E+00 -1.0157E+01 1.9393E+01 H1 1001 1.008000 0.423800 8.4407E+00 -9.2611E+00 1.9116E+01 H2 1002 1.008000 0.423800 7.4464E+00 -1.0045E+01 -1.8951E+01 O6 1003 15.999400 -0.847600 -8.1909E+00 1.9244E+01 -4.5033E-01 H1 1004 1.008000 0.423800 -7.4766E+00 1.8973E+01 -1.0956E+00 H2 1005 1.008000 0.423800 -8.8707E+00 -1.9292E+01 -9.2221E-01 O6 1006 15.999400 -0.847600 1.0548E+00 -6.9638E+00 1.0473E+01 H1 1007 1.008000 0.423800 1.1930E+00 -6.1111E+00 9.9690E+00 H2 1008 1.008000 0.423800 1.4938E+00 -6.8965E+00 1.1369E+01 O6 1009 15.999400 -0.847600 1.3703E+00 1.2471E+01 -8.9859E+00 H1 1010 1.008000 0.423800 1.4215E+00 1.3126E+01 -8.2319E+00 H2 1011 1.008000 0.423800 1.7286E+00 1.1588E+01 -8.6846E+00 O6 1012 15.999400 -0.847600 8.8308E+00 -7.5603E-01 6.7324E+00 H1 1013 1.008000 0.423800 7.8622E+00 -5.9286E-01 6.5445E+00 H2 1014 1.008000 0.423800 9.0937E+00 -2.7511E-01 7.5688E+00 O6 1015 15.999400 -0.847600 -7.0316E-01 1.9299E+01 -1.4711E+01 H1 1016 1.008000 0.423800 -2.5835E-01 1.8563E+01 -1.5222E+01 H2 1017 1.008000 0.423800 -1.6817E+00 1.9107E+01 -1.4635E+01 O6 1018 15.999400 -0.847600 1.5250E+01 -1.1549E+01 -8.0102E+00 H1 1019 1.008000 0.423800 1.5775E+01 -1.0938E+01 -8.6040E+00 H2 1020 1.008000 0.423800 1.4273E+01 -1.1401E+01 -8.1603E+00 O6 1021 15.999400 -0.847600 1.5846E+01 1.4227E+01 -1.1455E+01 H1 1022 1.008000 0.423800 1.6323E+01 1.4195E+01 -1.0577E+01 H2 1023 1.008000 0.423800 1.5492E+01 1.5150E+01 -1.1609E+01 O6 1024 15.999400 -0.847600 -1.3488E+01 -7.0790E+00 -8.7903E+00 H1 1025 1.008000 0.423800 -1.2779E+01 -6.3962E+00 -8.9685E+00 H2 1026 1.008000 0.423800 -1.3842E+01 -7.4260E+00 -9.6586E+00 O6 1027 15.999400 -0.847600 1.6815E+01 1.4765E+00 -1.5432E+01 H1 1028 1.008000 0.423800 1.7393E+01 1.5251E+00 -1.4618E+01 H2 1029 1.008000 0.423800 1.6186E+01 7.0388E-01 -1.5348E+01 O6 1030 15.999400 -0.847600 -7.6214E+00 1.4725E+01 1.6595E+01 H1 1031 1.008000 0.423800 -7.2797E+00 1.5123E+01 1.7447E+01 H2 1032 1.008000 0.423800 -8.4807E+00 1.4245E+01 1.6773E+01 O6 1033 15.999400 -0.847600 -8.6008E+00 9.9971E+00 -8.6526E-01 H1 1034 1.008000 0.423800 -8.3969E+00 9.5569E+00 -1.7397E+00 H2 1035 1.008000 0.423800 -9.3201E+00 1.0679E+01 -9.9542E-01 O6 1036 15.999400 -0.847600 1.7885E+01 9.0835E+00 1.9298E+01 H1 1037 1.008000 0.423800 1.8765E+01 8.6335E+00 1.9146E+01 H2 1038 1.008000 0.423800 1.7437E+01 8.6792E+00 -1.9002E+01 O6 1039 15.999400 -0.847600 -1.4457E+01 1.5731E+01 -1.7949E+01 H1 1040 1.008000 0.423800 -1.5208E+01 1.5203E+01 -1.7551E+01 H2 1041 1.008000 0.423800 -1.3598E+01 1.5472E+01 -1.7509E+01 O6 1042 15.999400 -0.847600 -7.1470E+00 4.9774E-01 -2.3153E+00 H1 1043 1.008000 0.423800 -6.2328E+00 2.5519E-01 -1.9905E+00 H2 1044 1.008000 0.423800 -7.2904E+00 1.4811E+00 -2.2035E+00 O6 1045 15.999400 -0.847600 -1.8492E+01 3.8101E+00 -1.1199E+01 H1 1046 1.008000 0.423800 -1.8158E+01 2.9091E+00 -1.1477E+01 H2 1047 1.008000 0.423800 -1.8238E+01 3.9806E+00 -1.0247E+01 O6 1048 15.999400 -0.847600 -5.7499E+00 1.5242E+01 -2.6097E+00 H1 1049 1.008000 0.423800 -5.6395E+00 1.4799E+01 -3.4992E+00 H2 1050 1.008000 0.423800 -5.2514E+00 1.4724E+01 -1.9148E+00 O6 1051 15.999400 -0.847600 1.0608E+01 4.6249E-01 -8.9561E+00 H1 1052 1.008000 0.423800 1.0483E+01 1.2572E+00 -8.3622E+00 H2 1053 1.008000 0.423800 1.0013E+01 -2.7984E-01 -8.6493E+00 O6 1054 15.999400 -0.847600 -9.9115E+00 2.6176E+00 1.5697E+01 H1 1055 1.008000 0.423800 -9.8937E+00 3.3387E+00 1.5005E+01 H2 1056 1.008000 0.423800 -1.0860E+01 2.3889E+00 1.5916E+01 O6 1057 15.999400 -0.847600 5.4116E+00 -6.3848E+00 1.6827E+01 H1 1058 1.008000 0.423800 4.5189E+00 -6.3424E+00 1.6378E+01 H2 1059 1.008000 0.423800 5.7004E+00 -7.3390E+00 1.6905E+01 O6 1060 15.999400 -0.847600 -5.0547E+00 -7.6821E-02 4.3026E+00 H1 1061 1.008000 0.423800 -5.4804E+00 -5.4549E-01 3.5286E+00 H2 1062 1.008000 0.423800 -4.8015E+00 -7.4737E-01 4.9999E+00 O6 1063 15.999400 -0.847600 -1.3745E+01 1.8410E+01 -1.1918E+01 H1 1064 1.008000 0.423800 -1.3707E+01 1.8009E+01 -1.2833E+01 H2 1065 1.008000 0.423800 -1.3460E+01 1.7729E+01 -1.1244E+01 O6 1066 15.999400 -0.847600 -1.4155E-01 -1.8646E+01 -5.0216E+00 H1 1067 1.008000 0.423800 4.8363E-01 -1.7992E+01 -4.5949E+00 H2 1068 1.008000 0.423800 1.9857E-01 -1.8888E+01 -5.9303E+00 O6 1069 15.999400 -0.847600 -1.4415E+01 1.6978E+01 1.6589E+01 H1 1070 1.008000 0.423800 -1.3994E+01 1.6251E+01 1.6046E+01 H2 1071 1.008000 0.423800 -1.5268E+01 1.6644E+01 1.6988E+01 O6 1072 15.999400 -0.847600 1.0607E+01 7.5061E+00 2.3377E+00 H1 1073 1.008000 0.423800 1.0230E+01 8.1978E+00 2.9537E+00 H2 1074 1.008000 0.423800 1.1527E+01 7.7775E+00 2.0547E+00 O6 1075 15.999400 -0.847600 -1.3001E+01 2.2738E+00 -1.5778E+01 H1 1076 1.008000 0.423800 -1.2966E+01 2.0035E+00 -1.4816E+01 H2 1077 1.008000 0.423800 -1.3818E+01 1.8861E+00 -1.6204E+01 O6 1078 15.999400 -0.847600 -1.8119E+01 -1.8043E+01 -8.9448E+00 H1 1079 1.008000 0.423800 -1.7789E+01 -1.7717E+01 -9.8303E+00 H2 1080 1.008000 0.423800 -1.9106E+01 -1.7894E+01 -8.8813E+00 O6 1081 15.999400 -0.847600 -1.3717E+01 1.2467E+01 1.1151E+01 H1 1082 1.008000 0.423800 -1.3997E+01 1.3218E+01 1.0553E+01 H2 1083 1.008000 0.423800 -1.4238E+01 1.1645E+01 1.0921E+01 O6 1084 15.999400 -0.847600 8.9427E+00 -1.8036E+01 3.2907E+00 H1 1085 1.008000 0.423800 8.6038E+00 -1.8543E+01 4.0832E+00 H2 1086 1.008000 0.423800 8.2158E+00 -1.7448E+01 2.9355E+00 O6 1087 15.999400 -0.847600 5.5752E+00 -1.0099E+01 1.2047E+01 H1 1088 1.008000 0.423800 4.9032E+00 -9.4019E+00 1.2296E+01 H2 1089 1.008000 0.423800 5.1143E+00 -1.0856E+01 1.1582E+01 O6 1090 15.999400 -0.847600 -1.0444E+01 8.8013E+00 -7.6159E+00 H1 1091 1.008000 0.423800 -1.1197E+01 8.3927E+00 -7.0996E+00 H2 1092 1.008000 0.423800 -1.0628E+01 9.7735E+00 -7.7603E+00 O6 1093 15.999400 -0.847600 -2.0152E+00 1.9506E+01 1.2277E+00 H1 1094 1.008000 0.423800 -1.2458E+00 -1.9183E+01 1.7187E+00 H2 1095 1.008000 0.423800 -2.1185E+00 -1.9145E+01 3.3907E-01 O6 1096 15.999400 -0.847600 2.4557E+00 -1.2146E+01 1.9043E+01 H1 1097 1.008000 0.423800 3.2344E+00 -1.2650E+01 1.9416E+01 H2 1098 1.008000 0.423800 1.8087E+00 -1.1940E+01 -1.9320E+01 O6 1099 15.999400 -0.847600 1.0735E+01 -2.4367E+00 6.9698E-01 H1 1100 1.008000 0.423800 1.1331E+01 -1.6342E+00 6.6144E-01 H2 1101 1.008000 0.423800 1.0229E+01 -2.5143E+00 -1.6192E-01 O6 1102 15.999400 -0.847600 -2.6545E+00 -3.6950E-01 -1.3324E+01 H1 1103 1.008000 0.423800 -2.8440E+00 2.9652E-01 -1.4046E+01 H2 1104 1.008000 0.423800 -1.8809E+00 -9.4263E-01 -1.3595E+01 O6 1105 15.999400 -0.847600 4.4730E+00 4.2767E+00 -8.1682E+00 H1 1106 1.008000 0.423800 5.4173E+00 3.9740E+00 -8.0387E+00 H2 1107 1.008000 0.423800 4.1315E+00 4.6760E+00 -7.3174E+00 O6 1108 15.999400 -0.847600 3.1315E+00 1.1539E+01 -1.8964E+01 H1 1109 1.008000 0.423800 2.2124E+00 1.1214E+01 -1.8741E+01 H2 1110 1.008000 0.423800 3.7341E+00 1.1400E+01 -1.8178E+01 O6 1111 15.999400 -0.847600 -8.0394E+00 -1.5487E+01 -1.2377E-01 H1 1112 1.008000 0.423800 -7.2908E+00 -1.6004E+01 -5.3780E-01 H2 1113 1.008000 0.423800 -8.0120E+00 -1.5598E+01 8.6965E-01 O6 1114 15.999400 -0.847600 -4.5088E+00 1.3687E+01 -4.7582E+00 H1 1115 1.008000 0.423800 -4.8662E+00 1.2779E+01 -4.9782E+00 H2 1116 1.008000 0.423800 -3.5188E+00 1.3633E+01 -4.6282E+00 O6 1117 15.999400 -0.847600 5.6469E+00 9.3137E-01 -5.4626E+00 H1 1118 1.008000 0.423800 6.1277E+00 1.8862E-01 -4.9965E+00 H2 1119 1.008000 0.423800 5.5908E+00 1.7244E+00 -4.8560E+00 O6 1120 15.999400 -0.847600 -9.9176E+00 7.4284E+00 -1.8515E+01 H1 1121 1.008000 0.423800 -1.0545E+01 7.1807E+00 -1.7777E+01 H2 1122 1.008000 0.423800 -1.0010E+01 8.4031E+00 -1.8718E+01 O6 1123 15.999400 -0.847600 -1.5164E+01 2.4237E+00 -1.8359E+01 H1 1124 1.008000 0.423800 -1.4196E+01 2.6455E+00 -1.8478E+01 H2 1125 1.008000 0.423800 -1.5680E+01 3.2635E+00 -1.8191E+01 O6 1126 15.999400 -0.847600 1.5847E+01 8.2528E+00 1.7661E+01 H1 1127 1.008000 0.423800 1.5871E+01 7.2985E+00 1.7959E+01 H2 1128 1.008000 0.423800 1.6645E+01 8.7349E+00 1.8023E+01 O6 1129 15.999400 -0.847600 -1.2940E+01 4.0525E+00 -2.0033E+00 H1 1130 1.008000 0.423800 -1.2303E+01 4.8055E+00 -2.1713E+00 H2 1131 1.008000 0.423800 -1.3847E+01 4.4216E+00 -1.8010E+00 O6 1132 15.999400 -0.847600 2.4412E+00 -1.6556E+01 1.2798E+01 H1 1133 1.008000 0.423800 3.0430E+00 -1.6619E+01 1.3594E+01 H2 1134 1.008000 0.423800 1.4946E+00 -1.6452E+01 1.3103E+01 O6 1135 15.999400 -0.847600 7.9845E+00 6.3394E+00 -1.7957E+01 H1 1136 1.008000 0.423800 8.1128E+00 7.0095E+00 -1.7226E+01 H2 1137 1.008000 0.423800 7.8973E+00 5.4257E+00 -1.7561E+01 O6 1138 15.999400 -0.847600 8.3747E+00 1.9390E+01 -1.6491E+01 H1 1139 1.008000 0.423800 9.3578E+00 -1.9525E+01 -1.6511E+01 H2 1140 1.008000 0.423800 8.2012E+00 1.8553E+01 -1.5973E+01 O6 1141 15.999400 -0.847600 1.3935E+01 1.2107E+01 1.9402E+01 H1 1142 1.008000 0.423800 1.3578E+01 1.2179E+01 1.8471E+01 H2 1143 1.008000 0.423800 1.4412E+01 1.1235E+01 1.9509E+01 O6 1144 15.999400 -0.847600 4.5616E+00 -4.5638E+00 -3.2508E+00 H1 1145 1.008000 0.423800 3.7071E+00 -4.9510E+00 -3.5973E+00 H2 1146 1.008000 0.423800 4.4463E+00 -4.3073E+00 -2.2912E+00 O6 1147 15.999400 -0.847600 1.9525E+01 -2.2605E+00 -8.5498E+00 H1 1148 1.008000 0.423800 -1.8788E+01 -1.8896E+00 -8.0527E+00 H2 1149 1.008000 0.423800 -1.9294E+01 -3.0820E+00 -9.0471E+00 O6 1150 15.999400 -0.847600 -2.6613E+00 -1.7967E+01 1.5961E+01 H1 1151 1.008000 0.423800 -3.2364E+00 -1.8632E+01 1.6438E+01 H2 1152 1.008000 0.423800 -3.2383E+00 -1.7352E+01 1.5423E+01 O6 1153 15.999400 -0.847600 -1.4412E+01 -1.6076E+01 9.1102E+00 H1 1154 1.008000 0.423800 -1.3778E+01 -1.5404E+01 8.7280E+00 H2 1155 1.008000 0.423800 -1.3975E+01 -1.6551E+01 9.8740E+00 O6 1156 15.999400 -0.847600 7.7117E+00 8.1995E+00 7.4091E+00 H1 1157 1.008000 0.423800 6.8444E+00 8.0365E+00 6.9387E+00 H2 1158 1.008000 0.423800 8.4377E+00 7.6796E+00 6.9589E+00 O6 1159 15.999400 -0.847600 1.8225E+00 9.5814E+00 -1.1570E+01 H1 1160 1.008000 0.423800 1.2565E+00 8.8050E+00 -1.1847E+01 H2 1161 1.008000 0.423800 1.9164E+00 9.5871E+00 -1.0574E+01 O6 1162 15.999400 -0.847600 -1.0276E+01 -1.4107E+01 -8.3131E+00 H1 1163 1.008000 0.423800 -1.0505E+01 -1.5077E+01 -8.2336E+00 H2 1164 1.008000 0.423800 -9.3612E+00 -1.4011E+01 -8.7045E+00 O6 1165 15.999400 -0.847600 1.5869E+01 -8.2420E+00 -6.4766E+00 H1 1166 1.008000 0.423800 1.6663E+01 -8.4931E+00 -7.0302E+00 H2 1167 1.008000 0.423800 1.6149E+01 -7.5970E+00 -5.7656E+00 O6 1168 15.999400 -0.847600 -4.8632E+00 1.6534E+01 1.0339E+01 H1 1169 1.008000 0.423800 -4.2121E+00 1.6423E+01 9.5880E+00 H2 1170 1.008000 0.423800 -5.7734E+00 1.6716E+01 9.9665E+00 O6 1171 15.999400 -0.847600 1.4521E+01 -1.4647E+01 7.5650E+00 H1 1172 1.008000 0.423800 1.4477E+01 -1.4419E+01 8.5378E+00 H2 1173 1.008000 0.423800 1.4266E+01 -1.5604E+01 7.4344E+00 O6 1174 15.999400 -0.847600 1.2650E+01 -6.4289E-02 -1.5780E+01 H1 1175 1.008000 0.423800 1.2343E+01 4.9396E-01 -1.6550E+01 H2 1176 1.008000 0.423800 1.2033E+01 6.9822E-02 -1.5004E+01 O6 1177 15.999400 -0.847600 1.5021E+01 -6.0765E+00 7.8417E+00 H1 1178 1.008000 0.423800 1.5087E+01 -6.5291E+00 8.7310E+00 H2 1179 1.008000 0.423800 1.4102E+01 -6.2087E+00 7.4687E+00 O6 1180 15.999400 -0.847600 3.7635E+00 8.1300E+00 -6.6366E+00 H1 1181 1.008000 0.423800 4.5122E+00 7.9080E+00 -7.2611E+00 H2 1182 1.008000 0.423800 3.6723E+00 7.4045E+00 -5.9544E+00 O6 1183 15.999400 -0.847600 -1.4831E+01 -2.0374E+00 7.0738E+00 H1 1184 1.008000 0.423800 -1.5599E+01 -2.0093E+00 7.7139E+00 H2 1185 1.008000 0.423800 -1.4530E+01 -1.1050E+00 6.8727E+00 O6 1186 15.999400 -0.847600 -1.2965E+00 -1.2845E+00 -1.3656E+00 H1 1187 1.008000 0.423800 -1.8797E+00 -1.2905E+00 -5.5328E-01 H2 1188 1.008000 0.423800 -1.8673E+00 -1.3182E+00 -2.1859E+00 O6 1189 15.999400 -0.847600 1.0885E+01 -1.2557E+01 -7.1413E+00 H1 1190 1.008000 0.423800 1.1488E+01 -1.2117E+01 -7.8061E+00 H2 1191 1.008000 0.423800 1.0670E+01 -1.3484E+01 -7.4488E+00 O6 1192 15.999400 -0.847600 2.3733E+00 9.8069E+00 -2.7288E+00 H1 1193 1.008000 0.423800 3.1896E+00 1.0348E+01 -2.5271E+00 H2 1194 1.008000 0.423800 2.2162E+00 9.7961E+00 -3.7163E+00 O6 1195 15.999400 -0.847600 -1.9182E+01 -6.8897E+00 9.3315E+00 H1 1196 1.008000 0.423800 1.9215E+01 -7.4860E+00 8.9397E+00 H2 1197 1.008000 0.423800 -1.8277E+01 -7.2657E+00 9.1350E+00 O6 1198 15.999400 -0.847600 5.1729E+00 -1.3529E+01 -1.3211E+01 H1 1199 1.008000 0.423800 5.0751E+00 -1.4492E+01 -1.3462E+01 H2 1200 1.008000 0.423800 5.4750E+00 -1.3460E+01 -1.2261E+01 O6 1201 15.999400 -0.847600 1.7512E+01 1.8514E+01 -8.0691E+00 H1 1202 1.008000 0.423800 1.7581E+01 1.7882E+01 -8.8413E+00 H2 1203 1.008000 0.423800 1.7755E+01 1.9436E+01 -8.3704E+00 O6 1204 15.999400 -0.847600 -1.6401E+01 2.1147E+00 8.2561E+00 H1 1205 1.008000 0.423800 -1.7204E+01 2.7088E+00 8.3108E+00 H2 1206 1.008000 0.423800 -1.6008E+01 2.0003E+00 9.1686E+00 O6 1207 15.999400 -0.847600 -4.7666E+00 2.8987E-01 -1.2678E+00 H1 1208 1.008000 0.423800 -4.3630E+00 9.6538E-01 -6.5071E-01 H2 1209 1.008000 0.423800 -4.0919E+00 2.1400E-02 -1.9553E+00 O6 1210 15.999400 -0.847600 7.9073E+00 2.4514E+00 9.9630E+00 H1 1211 1.008000 0.423800 7.7399E+00 2.4168E+00 1.0948E+01 H2 1212 1.008000 0.423800 8.1586E+00 3.3830E+00 9.7002E+00 O6 1213 15.999400 -0.847600 1.2143E+01 1.0935E+01 -1.1949E+01 H1 1214 1.008000 0.423800 1.2419E+01 1.0410E+01 -1.1144E+01 H2 1215 1.008000 0.423800 1.1215E+01 1.1283E+01 -1.1818E+01 O6 1216 15.999400 -0.847600 6.9526E+00 1.1241E+01 -1.2969E+01 H1 1217 1.008000 0.423800 7.5603E+00 1.0924E+01 -1.3697E+01 H2 1218 1.008000 0.423800 7.1114E+00 1.0700E+01 -1.2143E+01 O6 1219 15.999400 -0.847600 8.3356E+00 1.3612E+01 -1.5373E+01 H1 1220 1.008000 0.423800 8.8189E+00 1.3747E+01 -1.6238E+01 H2 1221 1.008000 0.423800 8.7533E+00 1.4183E+01 -1.4665E+01 O6 1222 15.999400 -0.847600 1.3387E+01 1.3603E+01 4.3364E-02 H1 1223 1.008000 0.423800 1.2887E+01 1.4399E+01 3.8450E-01 H2 1224 1.008000 0.423800 1.2775E+01 1.2814E+01 9.8524E-03 O6 1225 15.999400 -0.847600 1.6073E+00 -4.7684E+00 9.0829E+00 H1 1226 1.008000 0.423800 1.5811E+00 -4.9337E+00 8.0970E+00 H2 1227 1.008000 0.423800 2.4648E+00 -4.3128E+00 9.3218E+00 O6 1228 15.999400 -0.847600 -5.7823E-01 -1.1474E+01 -1.5366E+01 H1 1229 1.008000 0.423800 -1.3556E-01 -1.2364E+01 -1.5474E+01 H2 1230 1.008000 0.423800 2.1238E-02 -1.0865E+01 -1.4847E+01 O6 1231 15.999400 -0.847600 1.7494E+00 1.3249E+01 3.3605E+00 H1 1232 1.008000 0.423800 7.8025E-01 1.3468E+01 3.2472E+00 H2 1233 1.008000 0.423800 2.2017E+00 1.3268E+01 2.4689E+00 O6 1234 15.999400 -0.847600 2.6749E+00 1.7140E+01 -1.6184E+01 H1 1235 1.008000 0.423800 2.6952E+00 1.7643E+01 -1.7048E+01 H2 1236 1.008000 0.423800 1.8882E+00 1.6523E+01 -1.6175E+01 O6 1237 15.999400 -0.847600 -1.1347E+01 1.1638E+01 -1.5750E+01 H1 1238 1.008000 0.423800 -1.0797E+01 1.0809E+01 -1.5644E+01 H2 1239 1.008000 0.423800 -1.1120E+01 1.2080E+01 -1.6618E+01 O6 1240 15.999400 -0.847600 -1.0557E+01 -8.4600E-01 1.2704E+00 H1 1241 1.008000 0.423800 -1.0233E+01 -9.0629E-01 3.2619E-01 H2 1242 1.008000 0.423800 -1.0439E+01 -1.7314E+00 1.7202E+00 O6 1243 15.999400 -0.847600 7.2428E+00 -1.5599E+01 4.8848E-01 H1 1244 1.008000 0.423800 6.8228E+00 -1.6067E+01 1.2665E+00 H2 1245 1.008000 0.423800 7.7857E+00 -1.6253E+01 -3.9088E-02 O6 1246 15.999400 -0.847600 1.3650E+01 7.4697E+00 1.5952E+01 H1 1247 1.008000 0.423800 1.4535E+01 7.8039E+00 1.6277E+01 H2 1248 1.008000 0.423800 1.2945E+01 7.6788E+00 1.6629E+01 O6 1249 15.999400 -0.847600 -3.4345E+00 -4.2190E+00 1.0246E+01 H1 1250 1.008000 0.423800 -2.4774E+00 -3.9312E+00 1.0280E+01 H2 1251 1.008000 0.423800 -3.9797E+00 -3.6348E+00 1.0847E+01 O6 1252 15.999400 -0.847600 -1.6574E+00 1.4312E+01 1.8084E+01 H1 1253 1.008000 0.423800 -2.2563E+00 1.4623E+01 1.8822E+01 H2 1254 1.008000 0.423800 -2.0736E+00 1.3526E+01 1.7626E+01 O6 1255 15.999400 -0.847600 -8.7056E+00 1.4012E+00 -5.2377E+00 H1 1256 1.008000 0.423800 -8.2513E+00 5.1732E-01 -5.1263E+00 H2 1257 1.008000 0.423800 -8.6102E+00 1.7079E+00 -6.1847E+00 O6 1258 15.999400 -0.847600 -1.3791E+00 -1.0685E+01 5.4879E+00 H1 1259 1.008000 0.423800 -1.2523E+00 -1.0436E+01 4.5278E+00 H2 1260 1.008000 0.423800 -1.9981E+00 -1.0031E+01 5.9229E+00 O6 1261 15.999400 -0.847600 -1.6277E+01 4.8913E+00 -1.8232E+01 H1 1262 1.008000 0.423800 -1.6363E+01 5.4669E+00 -1.9045E+01 H2 1263 1.008000 0.423800 -1.7024E+01 5.0948E+00 -1.7599E+01 O6 1264 15.999400 -0.847600 1.4198E+01 -3.7026E+00 -1.2456E+01 H1 1265 1.008000 0.423800 1.3974E+01 -4.6707E+00 -1.2343E+01 H2 1266 1.008000 0.423800 1.4343E+01 -3.5048E+00 -1.3425E+01 O6 1267 15.999400 -0.847600 -1.7711E+01 -1.8912E+01 -1.4801E+01 H1 1268 1.008000 0.423800 -1.8166E+01 1.9453E+01 -1.5307E+01 H2 1269 1.008000 0.423800 -1.7208E+01 -1.9302E+01 -1.4030E+01 O6 1270 15.999400 -0.847600 -1.7074E+01 -1.9079E+01 1.5894E+01 H1 1271 1.008000 0.423800 -1.8044E+01 -1.9121E+01 1.5654E+01 H2 1272 1.008000 0.423800 -1.6801E+01 -1.8125E+01 1.6017E+01 O6 1273 15.999400 -0.847600 -1.5061E+01 1.3360E+01 1.6903E+01 H1 1274 1.008000 0.423800 -1.4863E+01 1.2417E+01 1.7168E+01 H2 1275 1.008000 0.423800 -1.5646E+01 1.3363E+01 1.6092E+01 O6 1276 15.999400 -0.847600 -1.9418E+01 -1.3951E-01 1.5421E+01 H1 1277 1.008000 0.423800 -1.9165E+01 -2.2635E-01 1.6385E+01 H2 1278 1.008000 0.423800 -1.8594E+01 -6.6661E-03 1.4871E+01 O6 1279 15.999400 -0.847600 -1.5806E+01 4.1552E+00 -3.6806E+00 H1 1280 1.008000 0.423800 -1.5717E+01 5.0164E+00 -4.1809E+00 H2 1281 1.008000 0.423800 -1.5638E+01 4.3158E+00 -2.7080E+00 O6 1282 15.999400 -0.847600 -1.2997E+01 -1.6046E+01 -9.5693E+00 H1 1283 1.008000 0.423800 -1.3314E+01 -1.6868E+01 -1.0043E+01 H2 1284 1.008000 0.423800 -1.2089E+01 -1.6212E+01 -9.1862E+00 O6 1285 15.999400 -0.847600 -7.3923E+00 -1.2095E+01 -6.6297E+00 H1 1286 1.008000 0.423800 -6.8130E+00 -1.2354E+01 -5.8566E+00 H2 1287 1.008000 0.423800 -8.1249E+00 -1.2768E+01 -6.7365E+00 O6 1288 15.999400 -0.847600 -1.6724E+01 -1.6387E+00 -1.9314E+00 H1 1289 1.008000 0.423800 -1.6410E+01 -1.0129E+00 -2.6456E+00 H2 1290 1.008000 0.423800 -1.7111E+01 -2.4585E+00 -2.3532E+00 O6 1291 15.999400 -0.847600 7.3254E-01 -1.0172E+01 -9.0190E+00 H1 1292 1.008000 0.423800 7.4680E-01 -9.2317E+00 -9.3587E+00 H2 1293 1.008000 0.423800 1.8406E-01 -1.0740E+01 -9.6329E+00 O6 1294 15.999400 -0.847600 -6.7622E-01 1.8604E+01 1.8135E+01 H1 1295 1.008000 0.423800 -8.6212E-01 1.7816E+01 1.7548E+01 H2 1296 1.008000 0.423800 -1.5401E+00 1.8987E+01 1.8462E+01 O6 1297 15.999400 -0.847600 -5.5751E+00 1.3421E+01 4.0892E+00 H1 1298 1.008000 0.423800 -6.4915E+00 1.3662E+01 4.4087E+00 H2 1299 1.008000 0.423800 -5.3390E+00 1.2505E+01 4.4142E+00 O6 1300 15.999400 -0.847600 -5.0709E+00 4.3322E+00 2.3092E-01 H1 1301 1.008000 0.423800 -5.0497E+00 3.9615E+00 1.1595E+00 H2 1302 1.008000 0.423800 -5.0414E+00 5.3310E+00 2.7006E-01 O6 1303 15.999400 -0.847600 1.7769E+00 -5.6009E+00 1.3072E+01 H1 1304 1.008000 0.423800 1.0650E+00 -5.0922E+00 1.3556E+01 H2 1305 1.008000 0.423800 2.4504E+00 -4.9611E+00 1.2702E+01 O6 1306 15.999400 -0.847600 1.3099E+01 -1.6437E+01 1.4829E+01 H1 1307 1.008000 0.423800 1.3157E+01 -1.5439E+01 1.4848E+01 H2 1308 1.008000 0.423800 1.3348E+01 -1.6803E+01 1.5726E+01 O6 1309 15.999400 -0.847600 3.9991E+00 7.5670E+00 1.8225E+01 H1 1310 1.008000 0.423800 4.8249E+00 7.5155E+00 1.8787E+01 H2 1311 1.008000 0.423800 3.8349E+00 8.5171E+00 1.7960E+01 O6 1312 15.999400 -0.847600 -4.5739E+00 -8.3716E+00 1.9028E+01 H1 1313 1.008000 0.423800 -3.7771E+00 -7.7909E+00 1.8861E+01 H2 1314 1.008000 0.423800 -4.7739E+00 -8.9076E+00 1.8208E+01 O6 1315 15.999400 -0.847600 1.4414E+01 -1.4317E+01 4.5012E+00 H1 1316 1.008000 0.423800 1.5390E+01 -1.4341E+01 4.7159E+00 H2 1317 1.008000 0.423800 1.3970E+01 -1.3606E+01 5.0467E+00 O6 1318 15.999400 -0.847600 -1.5479E+01 1.2758E+01 3.3085E+00 H1 1319 1.008000 0.423800 -1.4762E+01 1.2075E+01 3.4466E+00 H2 1320 1.008000 0.423800 -1.6370E+01 1.2352E+01 3.5082E+00 O6 1321 15.999400 -0.847600 -6.0836E+00 4.1385E+00 -1.3344E+01 H1 1322 1.008000 0.423800 -5.9242E+00 3.4739E+00 -1.4074E+01 H2 1323 1.008000 0.423800 -5.5909E+00 4.9841E+00 -1.3550E+01 O6 1324 15.999400 -0.847600 -7.5550E+00 2.1646E+00 -8.0111E+00 H1 1325 1.008000 0.423800 -7.8530E+00 3.0134E+00 -8.4478E+00 H2 1326 1.008000 0.423800 -6.5584E+00 2.0979E+00 -8.0577E+00 O6 1327 15.999400 -0.847600 -1.1780E+01 -3.7744E+00 1.6910E+01 H1 1328 1.008000 0.423800 -1.1563E+01 -2.8060E+00 1.6786E+01 H2 1329 1.008000 0.423800 -1.2619E+01 -3.9948E+00 1.6412E+01 O6 1330 15.999400 -0.847600 8.5466E+00 -8.5058E+00 1.6234E+01 H1 1331 1.008000 0.423800 8.9831E+00 -8.3744E+00 1.7124E+01 H2 1332 1.008000 0.423800 7.5829E+00 -8.7377E+00 1.6367E+01 O6 1333 15.999400 -0.847600 -5.3115E+00 1.4444E+01 -1.5886E+01 H1 1334 1.008000 0.423800 -6.1218E+00 1.3937E+01 -1.6181E+01 H2 1335 1.008000 0.423800 -5.3411E+00 1.5369E+01 -1.6263E+01 O6 1336 15.999400 -0.847600 -7.6535E+00 1.4425E+01 -8.5191E+00 H1 1337 1.008000 0.423800 -7.7209E+00 1.4946E+01 -9.3701E+00 H2 1338 1.008000 0.423800 -6.8248E+00 1.4695E+01 -8.0284E+00 O6 1339 15.999400 -0.847600 1.6658E+01 -1.8974E+01 5.0477E+00 H1 1340 1.008000 0.423800 1.5979E+01 -1.8957E+01 4.3136E+00 H2 1341 1.008000 0.423800 1.7171E+01 -1.8116E+01 5.0478E+00 O6 1342 15.999400 -0.847600 -1.0931E+01 -1.2898E-01 -1.7455E+01 H1 1343 1.008000 0.423800 -1.0020E+01 8.9323E-02 -1.7805E+01 H2 1344 1.008000 0.423800 -1.1562E+01 6.1181E-01 -1.7683E+01 O6 1345 15.999400 -0.847600 1.1981E+01 -1.8313E+01 -1.9519E+01 H1 1346 1.008000 0.423800 1.2817E+01 -1.8052E+01 1.9096E+01 H2 1347 1.008000 0.423800 1.1352E+01 -1.8756E+01 1.8940E+01 O6 1348 15.999400 -0.847600 8.5710E+00 -8.4610E+00 -1.3769E+01 H1 1349 1.008000 0.423800 8.5763E+00 -7.4896E+00 -1.4006E+01 H2 1350 1.008000 0.423800 7.6513E+00 -8.7289E+00 -1.3482E+01 O6 1351 15.999400 -0.847600 1.4730E+01 4.8208E+00 1.6401E+01 H1 1352 1.008000 0.423800 1.4609E+01 5.5740E+00 1.5754E+01 H2 1353 1.008000 0.423800 1.4472E+01 5.1244E+00 1.7318E+01 O6 1354 15.999400 -0.847600 1.7777E+00 5.3235E+00 1.5872E+01 H1 1355 1.008000 0.423800 1.7856E+00 5.4191E+00 1.6868E+01 H2 1356 1.008000 0.423800 2.6949E+00 5.4964E+00 1.5513E+01 O6 1357 15.999400 -0.847600 7.3376E+00 8.5936E+00 1.3592E+01 H1 1358 1.008000 0.423800 7.8940E+00 8.1702E+00 1.4307E+01 H2 1359 1.008000 0.423800 7.2343E+00 9.5695E+00 1.3784E+01 O6 1360 15.999400 -0.847600 -6.0141E+00 -3.4140E+00 -3.9675E+00 H1 1361 1.008000 0.423800 -6.6825E+00 -4.1577E+00 -3.9796E+00 H2 1362 1.008000 0.423800 -5.5190E+00 -3.4250E+00 -3.0988E+00 O6 1363 15.999400 -0.847600 -1.2332E+00 3.4697E+00 1.0107E+00 H1 1364 1.008000 0.423800 -1.4566E+00 3.6642E+00 1.9658E+00 H2 1365 1.008000 0.423800 -1.2780E+00 4.3155E+00 4.7907E-01 O6 1366 15.999400 -0.847600 7.6197E-01 1.4433E+01 1.9019E+01 H1 1367 1.008000 0.423800 6.4281E-01 1.4190E+01 -1.9116E+01 H2 1368 1.008000 0.423800 -1.3093E-01 1.4463E+01 1.8570E+01 O6 1369 15.999400 -0.847600 -8.8418E+00 -1.1377E+00 -1.0103E+00 H1 1370 1.008000 0.423800 -8.2510E+00 -4.3232E-01 -1.4020E+00 H2 1371 1.008000 0.423800 -8.7528E+00 -1.9800E+00 -1.5418E+00 O6 1372 15.999400 -0.847600 8.7277E+00 -1.2840E+01 -7.9510E-01 H1 1373 1.008000 0.423800 7.7871E+00 -1.2960E+01 -4.7754E-01 H2 1374 1.008000 0.423800 9.3609E+00 -1.3071E+01 -5.6398E-02 O6 1375 15.999400 -0.847600 1.7578E+01 -1.6788E+01 1.3285E+01 H1 1376 1.008000 0.423800 1.8277E+01 -1.6533E+01 1.2617E+01 H2 1377 1.008000 0.423800 1.6930E+01 -1.7422E+01 1.2863E+01 O6 1378 15.999400 -0.847600 1.4253E+01 5.3351E+00 1.8943E+01 H1 1379 1.008000 0.423800 1.4759E+01 5.3185E+00 -1.9292E+01 H2 1380 1.008000 0.423800 1.3449E+01 4.7451E+00 1.9017E+01 O6 1381 15.999400 -0.847600 -1.8136E+01 5.8648E+00 -5.3063E+00 H1 1382 1.008000 0.423800 -1.7991E+01 6.6046E+00 -5.9636E+00 H2 1383 1.008000 0.423800 -1.8385E+01 5.0288E+00 -5.7951E+00 O6 1384 15.999400 -0.847600 1.5659E+01 4.5061E+00 1.1692E+01 H1 1385 1.008000 0.423800 1.6095E+01 5.3814E+00 1.1482E+01 H2 1386 1.008000 0.423800 1.6049E+01 3.7917E+00 1.1111E+01 O6 1387 15.999400 -0.847600 -5.1844E+00 1.1138E+01 -5.0505E+00 H1 1388 1.008000 0.423800 -5.3541E+00 1.0402E+01 -5.7062E+00 H2 1389 1.008000 0.423800 -5.2379E+00 1.0774E+01 -4.1205E+00 O6 1390 15.999400 -0.847600 -1.3552E+00 -7.7687E+00 1.1295E+01 H1 1391 1.008000 0.423800 -4.3795E-01 -7.6369E+00 1.0919E+01 H2 1392 1.008000 0.423800 -1.8573E+00 -8.4214E+00 1.0727E+01 O6 1393 15.999400 -0.847600 1.3773E+01 8.6948E+00 -3.3212E+00 H1 1394 1.008000 0.423800 1.4388E+01 9.0200E+00 -4.0397E+00 H2 1395 1.008000 0.423800 1.3115E+01 9.4130E+00 -3.0959E+00 O6 1396 15.999400 -0.847600 -8.7495E+00 1.9389E+01 6.3760E+00 H1 1397 1.008000 0.423800 -8.2064E+00 -1.8938E+01 6.0411E+00 H2 1398 1.008000 0.423800 -8.1800E+00 1.8568E+01 6.4059E+00 O6 1399 15.999400 -0.847600 9.5044E+00 1.8759E+01 -8.4364E+00 H1 1400 1.008000 0.423800 9.1495E+00 1.7847E+01 -8.2281E+00 H2 1401 1.008000 0.423800 9.9952E+00 1.9115E+01 -7.6413E+00 O6 1402 15.999400 -0.847600 1.0613E+00 2.1093E+00 6.5126E-01 H1 1403 1.008000 0.423800 8.5272E-01 1.4192E+00 -4.1837E-02 H2 1404 1.008000 0.423800 2.2991E-01 2.6172E+00 8.7661E-01 O6 1405 15.999400 -0.847600 1.5901E+01 1.2751E+01 -7.9104E-01 H1 1406 1.008000 0.423800 1.4954E+01 1.3067E+01 -7.4345E-01 H2 1407 1.008000 0.423800 1.6494E+01 1.3514E+01 -1.0491E+00 O6 1408 15.999400 -0.847600 -7.0612E+00 1.9294E+01 2.0109E+00 H1 1409 1.008000 0.423800 -7.5277E+00 1.9469E+01 1.1440E+00 H2 1410 1.008000 0.423800 -7.4779E+00 -1.9250E+01 2.7317E+00 O6 1411 15.999400 -0.847600 -9.7772E+00 1.2739E+01 -3.0011E+00 H1 1412 1.008000 0.423800 -1.0261E+01 1.1957E+01 -3.3939E+00 H2 1413 1.008000 0.423800 -9.9057E+00 1.2747E+01 -2.0094E+00 O6 1414 15.999400 -0.847600 1.6474E+01 -9.6038E+00 -9.6662E+00 H1 1415 1.008000 0.423800 1.6327E+01 -9.7707E+00 -1.0641E+01 H2 1416 1.008000 0.423800 1.7455E+01 -9.5913E+00 -9.4746E+00 O6 1417 15.999400 -0.847600 -1.4094E+01 -6.4435E+00 3.7069E+00 H1 1418 1.008000 0.423800 -1.4779E+01 -5.9891E+00 3.1369E+00 H2 1419 1.008000 0.423800 -1.3538E+01 -7.0508E+00 3.1394E+00 O6 1420 15.999400 -0.847600 1.6509E+01 -1.9399E+01 1.9235E+01 H1 1421 1.008000 0.423800 1.7267E+01 -1.9026E+01 1.8701E+01 H2 1422 1.008000 0.423800 1.6029E+01 -1.8655E+01 -1.9398E+01 O6 1423 15.999400 -0.847600 4.9945E+00 1.6061E+01 2.3556E+00 H1 1424 1.008000 0.423800 4.1341E+00 1.5993E+01 2.8607E+00 H2 1425 1.008000 0.423800 5.0809E+00 1.5279E+01 1.7383E+00 O6 1426 15.999400 -0.847600 -6.2313E+00 -5.0281E+00 -4.5837E-01 H1 1427 1.008000 0.423800 -5.5022E+00 -5.7124E+00 -4.7125E-01 H2 1428 1.008000 0.423800 -5.8290E+00 -4.1129E+00 -4.3484E-01 O6 1429 15.999400 -0.847600 1.9912E+00 1.8799E+01 1.5645E+01 H1 1430 1.008000 0.423800 2.4552E+00 1.8995E+01 1.4781E+01 H2 1431 1.008000 0.423800 2.6717E+00 1.8639E+01 1.6360E+01 O6 1432 15.999400 -0.847600 -2.1322E+00 6.9258E+00 -1.6127E+01 H1 1433 1.008000 0.423800 -2.0604E+00 6.8509E+00 -1.7122E+01 H2 1434 1.008000 0.423800 -1.8307E+00 7.8345E+00 -1.5839E+01 O6 1435 15.999400 -0.847600 1.8525E+01 -6.9919E+00 -1.9297E+01 H1 1436 1.008000 0.423800 1.8596E+01 -6.6152E+00 -1.8374E+01 H2 1437 1.008000 0.423800 1.9340E+01 -7.5333E+00 -1.9500E+01 O6 1438 15.999400 -0.847600 -1.0790E+01 3.9766E+00 -6.8060E+00 H1 1439 1.008000 0.423800 -1.0526E+01 3.0363E+00 -7.0213E+00 H2 1440 1.008000 0.423800 -1.0154E+01 4.3553E+00 -6.1335E+00 O6 1441 15.999400 -0.847600 -5.1899E+00 9.8439E+00 -2.7481E+00 H1 1442 1.008000 0.423800 -4.2160E+00 9.7579E+00 -2.9583E+00 H2 1443 1.008000 0.423800 -5.3343E+00 9.6935E+00 -1.7701E+00 O6 1444 15.999400 -0.847600 8.3885E+00 6.1314E+00 -3.6202E+00 H1 1445 1.008000 0.423800 9.2265E+00 6.1075E+00 -3.0749E+00 H2 1446 1.008000 0.423800 7.6082E+00 6.3197E+00 -3.0239E+00 O6 1447 15.999400 -0.847600 6.3096E+00 -1.5840E+01 -1.6252E+01 H1 1448 1.008000 0.423800 5.6149E+00 -1.5659E+01 -1.6948E+01 H2 1449 1.008000 0.423800 6.1667E+00 -1.6752E+01 -1.5867E+01 O6 1450 15.999400 -0.847600 1.8725E+01 -1.4338E+01 -5.0902E+00 H1 1451 1.008000 0.423800 -1.9404E+01 -1.4334E+01 -5.3387E+00 H2 1452 1.008000 0.423800 1.8305E+01 -1.3476E+01 -5.3742E+00 O6 1453 15.999400 -0.847600 9.1143E+00 5.0823E+00 1.9013E+01 H1 1454 1.008000 0.423800 8.8496E+00 5.0934E+00 1.8049E+01 H2 1455 1.008000 0.423800 8.4793E+00 5.6476E+00 1.9540E+01 O6 1456 15.999400 -0.847600 1.2205E+01 -1.2023E+00 -6.2838E+00 H1 1457 1.008000 0.423800 1.2377E+01 -2.7265E-01 -5.9581E+00 H2 1458 1.008000 0.423800 1.1261E+01 -1.4582E+00 -6.0762E+00 O6 1459 15.999400 -0.847600 -1.4157E+01 -1.5525E+01 -7.3137E+00 H1 1460 1.008000 0.423800 -1.5127E+01 -1.5767E+01 -7.2763E+00 H2 1461 1.008000 0.423800 -1.3822E+01 -1.5634E+01 -8.2495E+00 O6 1462 15.999400 -0.847600 1.9251E+01 -1.8820E+01 1.0204E+01 H1 1463 1.008000 0.423800 -1.9223E+01 -1.9402E+01 9.6830E+00 H2 1464 1.008000 0.423800 -1.9471E+01 -1.8663E+01 1.1118E+01 O6 1465 15.999400 -0.847600 1.8820E+01 5.8121E+00 -8.9848E+00 H1 1466 1.008000 0.423800 1.8497E+01 4.9432E+00 -8.6095E+00 H2 1467 1.008000 0.423800 -1.9304E+01 5.7396E+00 -9.2030E+00 O6 1468 15.999400 -0.847600 7.1592E+00 -5.2249E+00 1.3614E+01 H1 1469 1.008000 0.423800 6.5858E+00 -4.4226E+00 1.3779E+01 H2 1470 1.008000 0.423800 6.5903E+00 -6.0474E+00 1.3616E+01 O6 1471 15.999400 -0.847600 1.5214E+01 1.4918E+01 1.3007E+01 H1 1472 1.008000 0.423800 1.5325E+01 1.5852E+01 1.2667E+01 H2 1473 1.008000 0.423800 1.4884E+01 1.4944E+01 1.3951E+01 O6 1474 15.999400 -0.847600 1.6675E+01 -1.4709E+01 -1.9387E+01 H1 1475 1.008000 0.423800 1.7293E+01 -1.4009E+01 -1.9029E+01 H2 1476 1.008000 0.423800 1.7181E+01 -1.5560E+01 -1.9527E+01 O6 1477 15.999400 -0.847600 3.8249E+00 8.7874E+00 -1.5615E+01 H1 1478 1.008000 0.423800 4.0308E+00 9.0943E+00 -1.4686E+01 H2 1479 1.008000 0.423800 2.8689E+00 8.4986E+00 -1.5666E+01 O6 1480 15.999400 -0.847600 -6.1179E+00 -7.8996E+00 -8.8960E+00 H1 1481 1.008000 0.423800 -6.6430E+00 -7.4675E+00 -9.6292E+00 H2 1482 1.008000 0.423800 -6.6499E+00 -8.6493E+00 -8.5023E+00 O6 1483 15.999400 -0.847600 -5.8693E+00 1.3558E+01 -1.1636E+01 H1 1484 1.008000 0.423800 -5.1624E+00 1.3768E+01 -1.0961E+01 H2 1485 1.008000 0.423800 -5.4468E+00 1.3146E+01 -1.2444E+01 O6 1486 15.999400 -0.847600 -1.9547E+01 -1.8578E+01 -4.0645E+00 H1 1487 1.008000 0.423800 -1.8848E+01 -1.7991E+01 -4.4732E+00 H2 1488 1.008000 0.423800 1.9186E+01 -1.9196E+01 -4.7605E+00 O6 1489 15.999400 -0.847600 8.7429E+00 -1.8024E+00 -8.5643E+00 H1 1490 1.008000 0.423800 7.7491E+00 -1.8989E+00 -8.6207E+00 H2 1491 1.008000 0.423800 9.1588E+00 -2.1365E+00 -9.4101E+00 O6 1492 15.999400 -0.847600 -1.2677E+01 4.5029E+00 6.9822E+00 H1 1493 1.008000 0.423800 -1.1773E+01 4.5161E+00 6.5538E+00 H2 1494 1.008000 0.423800 -1.3093E+01 5.4093E+00 6.9100E+00 O6 1495 15.999400 -0.847600 -9.3688E+00 -1.4729E+01 1.8963E+01 H1 1496 1.008000 0.423800 -8.7769E+00 -1.4639E+01 1.8162E+01 H2 1497 1.008000 0.423800 -9.7218E+00 -1.3830E+01 1.9220E+01 O6 1498 15.999400 -0.847600 1.6813E+01 1.5080E+01 -6.6597E+00 H1 1499 1.008000 0.423800 1.6166E+01 1.4321E+01 -6.7310E+00 H2 1500 1.008000 0.423800 1.7552E+01 1.4831E+01 -6.0344E+00 O6 1501 15.999400 -0.847600 -1.6190E+01 1.8378E+01 5.2893E+00 H1 1502 1.008000 0.423800 -1.5229E+01 1.8654E+01 5.2755E+00 H2 1503 1.008000 0.423800 -1.6252E+01 1.7383E+01 5.2103E+00 O6 1504 15.999400 -0.847600 8.7275E+00 1.5780E+01 6.5973E-01 H1 1505 1.008000 0.423800 9.0174E+00 1.5644E+01 -2.8759E-01 H2 1506 1.008000 0.423800 9.4902E+00 1.5578E+01 1.2740E+00 O6 1507 15.999400 -0.847600 -1.2421E+01 1.7834E+01 -7.6420E+00 H1 1508 1.008000 0.423800 -1.2007E+01 1.7108E+01 -7.0926E+00 H2 1509 1.008000 0.423800 -1.3058E+01 1.8357E+01 -7.0765E+00 O6 1510 15.999400 -0.847600 -6.2322E+00 9.5891E+00 4.6482E-01 H1 1511 1.008000 0.423800 -6.1775E+00 1.0189E+01 1.2628E+00 H2 1512 1.008000 0.423800 -7.0712E+00 9.7850E+00 -4.2751E-02 O6 1513 15.999400 -0.847600 1.0266E+01 -1.6431E+01 6.0762E+00 H1 1514 1.008000 0.423800 1.0993E+01 -1.6709E+01 5.4489E+00 H2 1515 1.008000 0.423800 1.0180E+01 -1.7107E+01 6.8079E+00 O6 1516 15.999400 -0.847600 4.1263E+00 -9.7069E+00 -1.2884E-01 H1 1517 1.008000 0.423800 4.3451E+00 -1.0149E+01 7.4096E-01 H2 1518 1.008000 0.423800 4.4545E+00 -8.7624E+00 -1.1429E-01 O6 1519 15.999400 -0.847600 9.1149E+00 -5.6744E+00 -1.3717E+01 H1 1520 1.008000 0.423800 8.7812E+00 -5.3527E+00 -1.2831E+01 H2 1521 1.008000 0.423800 8.6741E+00 -5.1537E+00 -1.4448E+01 O6 1522 15.999400 -0.847600 1.7432E+01 1.4740E+01 -9.3101E+00 H1 1523 1.008000 0.423800 1.7591E+01 1.5585E+01 -9.8217E+00 H2 1524 1.008000 0.423800 1.7271E+01 1.4959E+01 -8.3477E+00 O6 1525 15.999400 -0.847600 -1.4653E+01 -1.1428E+01 1.8781E+01 H1 1526 1.008000 0.423800 -1.4772E+01 -1.2415E+01 1.8675E+01 H2 1527 1.008000 0.423800 -1.3678E+01 -1.1207E+01 1.8772E+01 O6 1528 15.999400 -0.847600 5.4243E+00 1.8227E+01 1.0988E+01 H1 1529 1.008000 0.423800 4.6286E+00 1.8552E+01 1.0477E+01 H2 1530 1.008000 0.423800 5.8167E+00 1.7433E+01 1.0525E+01 O6 1531 15.999400 -0.847600 -5.8334E+00 6.9116E+00 2.5054E-03 H1 1532 1.008000 0.423800 -5.4780E+00 6.8868E+00 -9.3188E-01 H2 1533 1.008000 0.423800 -5.9867E+00 7.8613E+00 2.7558E-01 O6 1534 15.999400 -0.847600 -1.7653E+01 1.4465E+01 -8.1279E+00 H1 1535 1.008000 0.423800 -1.7803E+01 1.5369E+01 -8.5285E+00 H2 1536 1.008000 0.423800 -1.8390E+01 1.3850E+01 -8.4084E+00 O6 1537 15.999400 -0.847600 1.4086E+01 -1.5706E+01 1.7224E+00 H1 1538 1.008000 0.423800 1.4008E+01 -1.5495E+01 2.6969E+00 H2 1539 1.008000 0.423800 1.4293E+01 -1.4869E+01 1.2158E+00 O6 1540 15.999400 -0.847600 9.3929E+00 -1.8697E+01 8.1743E+00 H1 1541 1.008000 0.423800 9.0324E+00 1.9482E+01 8.3346E+00 H2 1542 1.008000 0.423800 1.0081E+01 -1.8483E+01 8.8679E+00 O6 1543 15.999400 -0.847600 1.2439E+01 1.2329E+01 1.6916E+01 H1 1544 1.008000 0.423800 1.3128E+01 1.2113E+01 1.6224E+01 H2 1545 1.008000 0.423800 1.1586E+01 1.1856E+01 1.6696E+01 O6 1546 15.999400 -0.847600 3.3734E+00 3.7216E+00 7.0019E-02 H1 1547 1.008000 0.423800 3.8748E+00 4.0643E+00 8.6446E-01 H2 1548 1.008000 0.423800 2.4449E+00 3.4717E+00 3.4440E-01 O6 1549 15.999400 -0.847600 -1.6006E+01 1.1955E+01 8.1360E+00 H1 1550 1.008000 0.423800 -1.6975E+01 1.1708E+01 8.1102E+00 H2 1551 1.008000 0.423800 -1.5518E+01 1.1467E+01 7.4123E+00 O6 1552 15.999400 -0.847600 -1.1199E+01 7.9483E+00 -1.3247E+01 H1 1553 1.008000 0.423800 -1.1195E+01 6.9560E+00 -1.3371E+01 H2 1554 1.008000 0.423800 -1.0878E+01 8.3899E+00 -1.4085E+01 O6 1555 15.999400 -0.847600 3.9067E+00 -1.7837E+01 2.2363E+00 H1 1556 1.008000 0.423800 3.1780E+00 -1.7309E+01 2.6725E+00 H2 1557 1.008000 0.423800 3.9762E+00 -1.7577E+01 1.2733E+00 O6 1558 15.999400 -0.847600 1.6878E+01 -1.0389E+01 6.6728E+00 H1 1559 1.008000 0.423800 1.5919E+01 -1.0464E+01 6.9475E+00 H2 1560 1.008000 0.423800 1.7356E+01 -9.7712E+00 7.2971E+00 O6 1561 15.999400 -0.847600 -1.8725E+01 3.4504E+00 -6.2488E-01 H1 1562 1.008000 0.423800 -1.7983E+01 2.8936E+00 -2.5178E-01 H2 1563 1.008000 0.423800 -1.8438E+01 3.8493E+00 -1.4955E+00 O6 1564 15.999400 -0.847600 -8.9411E+00 4.6128E+00 -1.4990E+01 H1 1565 1.008000 0.423800 -9.0637E+00 4.0285E+00 -1.5792E+01 H2 1566 1.008000 0.423800 -8.2738E+00 4.1957E+00 -1.4373E+01 O6 1567 15.999400 -0.847600 -7.9214E-01 1.7282E+01 -1.6675E+01 H1 1568 1.008000 0.423800 -2.4674E-01 1.7347E+01 -1.7511E+01 H2 1569 1.008000 0.423800 -4.4357E-01 1.6536E+01 -1.6107E+01 O6 1570 15.999400 -0.847600 -1.2567E+01 -8.1867E+00 1.9224E+01 H1 1571 1.008000 0.423800 -1.1970E+01 -7.5819E+00 1.8697E+01 H2 1572 1.008000 0.423800 -1.2603E+01 -9.0846E+00 1.8785E+01 O6 1573 15.999400 -0.847600 -5.4932E+00 -3.8386E+00 -1.8573E+01 H1 1574 1.008000 0.423800 -4.8243E+00 -3.8280E+00 -1.7829E+01 H2 1575 1.008000 0.423800 -6.4165E+00 -3.8009E+00 -1.8191E+01 O6 1576 15.999400 -0.847600 1.4575E+01 -1.0408E+01 1.9093E+01 H1 1577 1.008000 0.423800 1.5532E+01 -1.0123E+01 1.9147E+01 H2 1578 1.008000 0.423800 1.4024E+01 -9.8473E+00 -1.9385E+01 O6 1579 15.999400 -0.847600 -1.6475E+01 -1.3420E+01 7.2377E-01 H1 1580 1.008000 0.423800 -1.6687E+01 -1.4370E+01 4.9237E-01 H2 1581 1.008000 0.423800 -1.6259E+01 -1.3355E+01 1.6979E+00 O6 1582 15.999400 -0.847600 -1.3092E+01 -7.5487E+00 1.2274E+01 H1 1583 1.008000 0.423800 -1.3935E+01 -7.8098E+00 1.1803E+01 H2 1584 1.008000 0.423800 -1.3221E+01 -6.6649E+00 1.2723E+01 O6 1585 15.999400 -0.847600 2.1306E+00 -5.4965E+00 1.7645E+01 H1 1586 1.008000 0.423800 1.9626E+00 -6.4822E+00 1.7632E+01 H2 1587 1.008000 0.423800 2.3752E+00 -5.2123E+00 1.8572E+01 O6 1588 15.999400 -0.847600 9.3157E+00 2.8192E+00 4.5258E+00 H1 1589 1.008000 0.423800 1.0060E+01 2.2017E+00 4.7806E+00 H2 1590 1.008000 0.423800 9.6813E+00 3.7379E+00 4.3767E+00 O6 1591 15.999400 -0.847600 -7.7984E+00 -1.3086E+01 -1.4945E+01 H1 1592 1.008000 0.423800 -8.7561E+00 -1.2887E+01 -1.4736E+01 H2 1593 1.008000 0.423800 -7.4458E+00 -1.3753E+01 -1.4289E+01 O6 1594 15.999400 -0.847600 3.2557E+00 1.9116E+00 1.0822E+01 H1 1595 1.008000 0.423800 3.5474E+00 2.3093E+00 1.1692E+01 H2 1596 1.008000 0.423800 3.8772E+00 2.2061E+00 1.0096E+01 O6 1597 15.999400 -0.847600 -1.5592E+01 2.4580E+00 1.0952E+01 H1 1598 1.008000 0.423800 -1.5305E+01 3.3542E+00 1.1290E+01 H2 1599 1.008000 0.423800 -1.4887E+01 1.7807E+00 1.1163E+01 O6 1600 15.999400 -0.847600 1.2738E+01 -6.2160E+00 -1.8815E+01 H1 1601 1.008000 0.423800 1.2605E+01 -6.2351E+00 -1.7824E+01 H2 1602 1.008000 0.423800 1.2061E+01 -5.6084E+00 -1.9231E+01 O6 1603 15.999400 -0.847600 1.7198E+01 -4.0639E+00 -1.3749E+01 H1 1604 1.008000 0.423800 1.7261E+01 -4.6332E+00 -1.2929E+01 H2 1605 1.008000 0.423800 1.6425E+01 -4.3664E+00 -1.4306E+01 O6 1606 15.999400 -0.847600 -6.6921E+00 1.2605E+01 1.1731E+01 H1 1607 1.008000 0.423800 -6.6118E+00 1.3452E+01 1.1204E+01 H2 1608 1.008000 0.423800 -7.5237E+00 1.2121E+01 1.1459E+01 O6 1609 15.999400 -0.847600 1.9020E+01 4.5557E+00 6.3712E+00 H1 1610 1.008000 0.423800 1.9161E+01 4.4241E+00 5.3900E+00 H2 1611 1.008000 0.423800 1.8186E+01 4.0817E+00 6.6539E+00 O6 1612 15.999400 -0.847600 -4.0916E+00 -1.4216E+01 -1.5838E+01 H1 1613 1.008000 0.423800 -4.0253E+00 -1.3859E+01 -1.6770E+01 H2 1614 1.008000 0.423800 -4.5216E+00 -1.3531E+01 -1.5250E+01 O6 1615 15.999400 -0.847600 -1.5445E+00 -1.6979E+01 1.8163E+01 H1 1616 1.008000 0.423800 -1.9390E+00 -1.7172E+01 1.7264E+01 H2 1617 1.008000 0.423800 -5.5911E-01 -1.7147E+01 1.8137E+01 O6 1618 15.999400 -0.847600 1.1573E+01 8.9946E+00 -2.8926E-01 H1 1619 1.008000 0.423800 1.0996E+01 8.2172E+00 -5.4113E-01 H2 1620 1.008000 0.423800 1.2111E+01 8.7619E+00 5.2077E-01 O6 1621 15.999400 -0.847600 -1.8083E+01 -1.4215E+01 -6.6523E+00 H1 1622 1.008000 0.423800 -1.8568E+01 -1.3791E+01 -7.4174E+00 H2 1623 1.008000 0.423800 -1.7497E+01 -1.4949E+01 -6.9951E+00 O6 1624 15.999400 -0.847600 -4.3174E+00 1.0189E+01 -1.4840E+01 H1 1625 1.008000 0.423800 -3.3799E+00 9.9583E+00 -1.4580E+01 H2 1626 1.008000 0.423800 -4.9531E+00 9.5664E+00 -1.4385E+01 O6 1627 15.999400 -0.847600 8.7111E+00 5.0233E+00 1.6215E+01 H1 1628 1.008000 0.423800 8.8218E+00 4.4908E+00 1.5376E+01 H2 1629 1.008000 0.423800 8.9337E+00 5.9812E+00 1.6033E+01 O6 1630 15.999400 -0.847600 -4.8944E+00 -1.0238E+01 1.7157E+01 H1 1631 1.008000 0.423800 -4.7205E+00 -1.1221E+01 1.7219E+01 H2 1632 1.008000 0.423800 -5.8293E+00 -1.0085E+01 1.6837E+01 O6 1633 15.999400 -0.847600 -2.6787E-02 8.0914E+00 -1.9307E+01 H1 1634 1.008000 0.423800 -1.3592E-01 8.8893E+00 1.9197E+01 H2 1635 1.008000 0.423800 -9.0515E-01 7.6225E+00 -1.9215E+01 O6 1636 15.999400 -0.847600 -6.4813E+00 -1.4332E+01 -1.6903E+01 H1 1637 1.008000 0.423800 -7.0755E+00 -1.4067E+01 -1.6144E+01 H2 1638 1.008000 0.423800 -5.5315E+00 -1.4121E+01 -1.6673E+01 O6 1639 15.999400 -0.847600 -7.9127E-01 1.4053E+01 2.6840E+00 H1 1640 1.008000 0.423800 -1.2322E+00 1.3602E+01 1.9083E+00 H2 1641 1.008000 0.423800 -9.6725E-01 1.5037E+01 2.6411E+00 O6 1642 15.999400 -0.847600 -9.3577E+00 6.6409E+00 1.8070E+01 H1 1643 1.008000 0.423800 -9.3955E+00 6.9521E+00 1.9019E+01 H2 1644 1.008000 0.423800 -9.9759E+00 7.1954E+00 1.7513E+01 O6 1645 15.999400 -0.847600 1.7328E+01 1.7407E+01 -1.0692E+01 H1 1646 1.008000 0.423800 1.6377E+01 1.7337E+01 -1.0991E+01 H2 1647 1.008000 0.423800 1.7903E+01 1.7665E+01 -1.1468E+01 O6 1648 15.999400 -0.847600 -1.1268E+01 -9.9696E+00 -1.7760E+01 H1 1649 1.008000 0.423800 -1.1741E+01 -9.3602E+00 -1.8397E+01 H2 1650 1.008000 0.423800 -1.1934E+01 -1.0568E+01 -1.7315E+01 O6 1651 15.999400 -0.847600 -1.3427E+00 5.5770E+00 1.2209E+01 H1 1652 1.008000 0.423800 -5.9982E-01 5.2324E+00 1.1635E+01 H2 1653 1.008000 0.423800 -1.0193E+00 5.6732E+00 1.3150E+01 O6 1654 15.999400 -0.847600 -1.3217E+01 -4.8694E+00 1.2929E+01 H1 1655 1.008000 0.423800 -1.3866E+01 -4.7732E+00 1.2174E+01 H2 1656 1.008000 0.423800 -1.3692E+01 -4.7266E+00 1.3797E+01 O6 1657 15.999400 -0.847600 -5.6242E+00 3.2234E+00 -1.0899E+01 H1 1658 1.008000 0.423800 -5.8725E+00 3.4689E+00 -1.1836E+01 H2 1659 1.008000 0.423800 -6.0618E+00 2.3583E+00 -1.0654E+01 O6 1660 15.999400 -0.847600 -1.3226E+01 -1.1236E+01 6.1614E+00 H1 1661 1.008000 0.423800 -1.2563E+01 -1.1140E+01 6.9039E+00 H2 1662 1.008000 0.423800 -1.3553E+01 -1.2180E+01 6.1268E+00 O6 1663 15.999400 -0.847600 -2.9309E+00 1.2320E+01 -9.6756E+00 H1 1664 1.008000 0.423800 -3.5948E+00 1.3067E+01 -9.6513E+00 H2 1665 1.008000 0.423800 -3.3715E+00 1.1494E+01 -1.0028E+01 O6 1666 15.999400 -0.847600 1.8309E+01 1.3483E+01 1.3035E+01 H1 1667 1.008000 0.423800 1.8833E+01 1.4295E+01 1.3290E+01 H2 1668 1.008000 0.423800 1.7442E+01 1.3762E+01 1.2622E+01 O6 1669 15.999400 -0.847600 -4.4628E+00 1.7483E+01 5.5430E+00 H1 1670 1.008000 0.423800 -4.5195E+00 1.7110E+01 4.6170E+00 H2 1671 1.008000 0.423800 -4.2846E+00 1.8466E+01 5.4959E+00 O6 1672 15.999400 -0.847600 7.5888E+00 -7.8944E+00 4.9924E+00 H1 1673 1.008000 0.423800 8.4851E+00 -7.4649E+00 4.8820E+00 H2 1674 1.008000 0.423800 7.0981E+00 -7.8702E+00 4.1214E+00 O6 1675 15.999400 -0.847600 1.4812E+01 1.9912E+00 1.8053E+01 H1 1676 1.008000 0.423800 1.3858E+01 1.9713E+00 1.8352E+01 H2 1677 1.008000 0.423800 1.5333E+01 2.6096E+00 1.8642E+01 O6 1678 15.999400 -0.847600 9.4207E+00 1.3530E+01 -1.7895E+01 H1 1679 1.008000 0.423800 1.0197E+01 1.3883E+01 -1.8418E+01 H2 1680 1.008000 0.423800 8.6008E+00 1.4057E+01 -1.8119E+01 O6 1681 15.999400 -0.847600 -2.3046E+00 -1.6804E+01 -5.6369E+00 H1 1682 1.008000 0.423800 -2.2627E+00 -1.6273E+01 -6.4835E+00 H2 1683 1.008000 0.423800 -1.7509E+00 -1.7630E+01 -5.7341E+00 O6 1684 15.999400 -0.847600 -1.8626E+01 -3.9401E+00 -1.2304E+01 H1 1685 1.008000 0.423800 -1.7839E+01 -3.4575E+00 -1.2688E+01 H2 1686 1.008000 0.423800 -1.8533E+01 -3.9902E+00 -1.1310E+01 O6 1687 15.999400 -0.847600 1.0874E+01 9.8746E+00 4.3795E+00 H1 1688 1.008000 0.423800 1.1556E+01 1.0282E+01 3.7715E+00 H2 1689 1.008000 0.423800 1.1336E+01 9.3510E+00 5.0953E+00 O6 1690 15.999400 -0.847600 -1.4380E+00 -1.7855E+01 -1.2460E+01 H1 1691 1.008000 0.423800 -8.2343E-01 -1.7353E+01 -1.3068E+01 H2 1692 1.008000 0.423800 -2.2950E+00 -1.7350E+01 -1.2360E+01 O6 1693 15.999400 -0.847600 1.9415E+01 -1.4321E+01 1.0097E+00 H1 1694 1.008000 0.423800 1.8510E+01 -1.4164E+01 6.1356E-01 H2 1695 1.008000 0.423800 -1.9273E+01 -1.5132E+01 5.9356E-01 O6 1696 15.999400 -0.847600 -1.5257E+01 1.4663E+01 -9.7185E+00 H1 1697 1.008000 0.423800 -1.5389E+01 1.4771E+01 -1.0704E+01 H2 1698 1.008000 0.423800 -1.6108E+01 1.4346E+01 -9.3008E+00 O6 1699 15.999400 -0.847600 -1.1479E+01 -1.9481E+01 -1.4168E+01 H1 1700 1.008000 0.423800 -1.1760E+01 -1.8679E+01 -1.3641E+01 H2 1701 1.008000 0.423800 -1.2245E+01 1.8976E+01 -1.4233E+01 O6 1702 15.999400 -0.847600 6.3221E+00 9.9705E+00 -1.8263E+01 H1 1703 1.008000 0.423800 5.7892E+00 1.0703E+01 -1.7840E+01 H2 1704 1.008000 0.423800 6.9227E+00 9.5573E+00 -1.7579E+01 O6 1705 15.999400 -0.847600 1.3396E+01 -9.0016E+00 -1.8029E+01 H1 1706 1.008000 0.423800 1.3611E+01 -8.8015E+00 -1.7073E+01 H2 1707 1.008000 0.423800 1.3249E+01 -8.1451E+00 -1.8523E+01 O6 1708 15.999400 -0.847600 1.6206E+01 7.6652E+00 9.0481E+00 H1 1709 1.008000 0.423800 1.6561E+01 7.2045E+00 9.8615E+00 H2 1710 1.008000 0.423800 1.5664E+01 7.0203E+00 8.5100E+00 O6 1711 15.999400 -0.847600 1.8784E+01 1.6160E+01 1.4072E+01 H1 1712 1.008000 0.423800 1.8255E+01 1.6966E+01 1.4334E+01 H2 1713 1.008000 0.423800 1.9463E+01 1.5962E+01 1.4779E+01 O6 1714 15.999400 -0.847600 -1.7076E+01 -1.4106E+01 -4.3196E+00 H1 1715 1.008000 0.423800 -1.7395E+01 -1.4119E+01 -5.2674E+00 H2 1716 1.008000 0.423800 -1.7846E+01 -1.3912E+01 -3.7116E+00 O6 1717 15.999400 -0.847600 9.6004E+00 -7.4208E+00 -1.7735E+01 H1 1718 1.008000 0.423800 1.0461E+01 -7.4289E+00 -1.7226E+01 H2 1719 1.008000 0.423800 9.2333E+00 -6.4909E+00 -1.7754E+01 O6 1720 15.999400 -0.847600 -1.5253E+01 1.6232E+01 8.5164E+00 H1 1721 1.008000 0.423800 -1.6154E+01 1.5842E+01 8.7066E+00 H2 1722 1.008000 0.423800 -1.4544E+01 1.5580E+01 8.7870E+00 O6 1723 15.999400 -0.847600 1.2001E+01 1.2332E+01 1.0266E+01 H1 1724 1.008000 0.423800 1.2706E+01 1.1931E+01 1.0852E+01 H2 1725 1.008000 0.423800 1.1950E+01 1.3316E+01 1.0433E+01 O6 1726 15.999400 -0.847600 -5.4198E+00 -2.5300E+00 1.1250E+01 H1 1727 1.008000 0.423800 -6.3931E+00 -2.5623E+00 1.1477E+01 H2 1728 1.008000 0.423800 -4.9627E+00 -1.8616E+00 1.1837E+01 O6 1729 15.999400 -0.847600 1.2738E+01 1.7562E+01 1.3163E+01 H1 1730 1.008000 0.423800 1.2429E+01 1.8360E+01 1.3681E+01 H2 1731 1.008000 0.423800 1.2261E+01 1.6747E+01 1.3492E+01 O6 1732 15.999400 -0.847600 -6.6693E+00 2.5852E+00 9.9573E+00 H1 1733 1.008000 0.423800 -5.6743E+00 2.6515E+00 1.0032E+01 H2 1734 1.008000 0.423800 -7.0186E+00 3.3714E+00 9.4475E+00 O6 1735 15.999400 -0.847600 1.8902E+01 -1.9149E+01 1.4372E+00 H1 1736 1.008000 0.423800 -1.9522E+01 -1.9197E+01 6.9959E-01 H2 1737 1.008000 0.423800 1.8531E+01 -1.8222E+01 1.4898E+00 O6 1738 15.999400 -0.847600 -7.1888E+00 1.7749E+01 -1.2759E+01 H1 1739 1.008000 0.423800 -7.8936E+00 1.8449E+01 -1.2647E+01 H2 1740 1.008000 0.423800 -7.4574E+00 1.6924E+01 -1.2262E+01 O6 1741 15.999400 -0.847600 5.7964E+00 -5.9057E+00 -1.0794E+01 H1 1742 1.008000 0.423800 5.5672E+00 -6.2787E+00 -9.8948E+00 H2 1743 1.008000 0.423800 6.6933E+00 -5.4653E+00 -1.0753E+01 O6 1744 15.999400 -0.847600 1.3818E+01 -1.6372E+01 -1.6284E+01 H1 1745 1.008000 0.423800 1.3454E+01 -1.7190E+01 -1.5839E+01 H2 1746 1.008000 0.423800 1.3174E+01 -1.6058E+01 -1.6982E+01 O6 1747 15.999400 -0.847600 9.3968E+00 7.6836E+00 1.5127E+01 H1 1748 1.008000 0.423800 1.0309E+01 7.4395E+00 1.4798E+01 H2 1749 1.008000 0.423800 9.4771E+00 8.2054E+00 1.5976E+01 O6 1750 15.999400 -0.847600 6.8081E+00 2.3671E+00 1.2759E+01 H1 1751 1.008000 0.423800 5.8191E+00 2.4945E+00 1.2684E+01 H2 1752 1.008000 0.423800 7.0017E+00 1.4362E+00 1.3069E+01 O6 1753 15.999400 -0.847600 1.9148E+01 -6.0863E+00 -1.6970E+01 H1 1754 1.008000 0.423800 1.9447E+01 -6.8990E+00 -1.6470E+01 H2 1755 1.008000 0.423800 1.9490E+01 -5.2671E+00 -1.6509E+01 O6 1756 15.999400 -0.847600 -5.9264E+00 4.9272E+00 -1.7124E+01 H1 1757 1.008000 0.423800 -5.6478E+00 5.8870E+00 -1.7159E+01 H2 1758 1.008000 0.423800 -5.8115E+00 4.5141E+00 -1.8027E+01 O6 1759 15.999400 -0.847600 -8.7350E+00 -1.7274E+01 -5.4298E+00 H1 1760 1.008000 0.423800 -9.0156E+00 -1.7979E+01 -6.0812E+00 H2 1761 1.008000 0.423800 -9.5220E+00 -1.6703E+01 -5.1975E+00 O6 1762 15.999400 -0.847600 1.7383E+01 7.6814E-01 1.6141E+01 H1 1763 1.008000 0.423800 1.8221E+01 4.8393E-01 1.5676E+01 H2 1764 1.008000 0.423800 1.7014E+01 1.5839E+00 1.5695E+01 O6 1765 15.999400 -0.847600 -1.3170E+00 2.9830E+00 1.3140E+01 H1 1766 1.008000 0.423800 -1.5830E+00 3.7033E+00 1.2500E+01 H2 1767 1.008000 0.423800 -2.1038E+00 2.7309E+00 1.3704E+01 O6 1768 15.999400 -0.847600 4.5140E+00 -1.9099E+01 -1.9168E+01 H1 1769 1.008000 0.423800 5.3018E+00 1.9450E+01 -1.8889E+01 H2 1770 1.008000 0.423800 3.7351E+00 -1.9309E+01 -1.8577E+01 O6 1771 15.999400 -0.847600 -8.8635E-01 -1.5599E-01 1.5622E+01 H1 1772 1.008000 0.423800 -6.6321E-01 8.1881E-01 1.5618E+01 H2 1773 1.008000 0.423800 -1.0529E-01 -6.7515E-01 1.5969E+01 O6 1774 15.999400 -0.847600 -3.7417E+00 2.8825E+00 1.0004E+01 H1 1775 1.008000 0.423800 -3.7371E+00 3.5702E+00 9.2780E+00 H2 1776 1.008000 0.423800 -3.0654E+00 2.1755E+00 9.7976E+00 O6 1777 15.999400 -0.847600 -1.3925E+01 -4.5135E+00 -6.8786E+00 H1 1778 1.008000 0.423800 -1.2969E+01 -4.4269E+00 -6.5978E+00 H2 1779 1.008000 0.423800 -1.4444E+01 -4.9697E+00 -6.1562E+00 O6 1780 15.999400 -0.847600 -2.0036E+00 8.6666E+00 -9.0946E+00 H1 1781 1.008000 0.423800 -2.8875E+00 8.6363E+00 -8.6278E+00 H2 1782 1.008000 0.423800 -1.5619E+00 9.5457E+00 -8.9152E+00 O6 1783 15.999400 -0.847600 -7.0269E+00 -1.9249E+01 -1.8080E+01 H1 1784 1.008000 0.423800 -6.7224E+00 -1.8351E+01 -1.8398E+01 H2 1785 1.008000 0.423800 -6.3535E+00 1.9474E+01 -1.7442E+01 O6 1786 15.999400 -0.847600 -1.5830E+01 1.4105E+01 -9.0512E-01 H1 1787 1.008000 0.423800 -1.5640E+01 1.4471E+01 -1.8159E+00 H2 1788 1.008000 0.423800 -1.6815E+01 1.3963E+01 -8.0166E-01 O6 1789 15.999400 -0.847600 5.6483E+00 -1.5389E+01 1.8044E+01 H1 1790 1.008000 0.423800 6.3208E+00 -1.5174E+01 1.8752E+01 H2 1791 1.008000 0.423800 5.5706E+00 -1.4618E+01 1.7412E+01 O6 1792 15.999400 -0.847600 -1.3534E+01 1.4355E+01 -5.1951E+00 H1 1793 1.008000 0.423800 -1.3325E+01 1.4308E+01 -4.2183E+00 H2 1794 1.008000 0.423800 -1.4440E+01 1.4759E+01 -5.3234E+00 O6 1795 15.999400 -0.847600 1.9277E+01 9.4283E-01 -2.4583E+00 H1 1796 1.008000 0.423800 1.8803E+01 1.5249E+00 -1.7978E+00 H2 1797 1.008000 0.423800 1.9081E+01 -1.7057E-02 -2.2575E+00 O6 1798 15.999400 -0.847600 -1.8706E+00 -4.3182E+00 6.4220E+00 H1 1799 1.008000 0.423800 -2.1133E+00 -3.3880E+00 6.1464E+00 H2 1800 1.008000 0.423800 -2.4745E+00 -4.6148E+00 7.1618E+00 O6 1801 15.999400 -0.847600 1.6393E+00 -1.6506E+01 -1.0910E+01 H1 1802 1.008000 0.423800 1.4162E+00 -1.7177E+01 -1.1617E+01 H2 1803 1.008000 0.423800 1.1223E+00 -1.6714E+01 -1.0079E+01 O6 1804 15.999400 -0.847600 -7.0759E+00 1.1183E+01 -1.1835E+01 H1 1805 1.008000 0.423800 -7.2889E+00 1.0684E+01 -1.2675E+01 H2 1806 1.008000 0.423800 -6.9979E+00 1.2159E+01 -1.2039E+01 O6 1807 15.999400 -0.847600 -2.1418E+00 -5.6373E+00 -2.3730E+00 H1 1808 1.008000 0.423800 -1.9279E+00 -4.7017E+00 -2.6539E+00 H2 1809 1.008000 0.423800 -2.8704E+00 -6.0011E+00 -2.9533E+00 O6 1810 15.999400 -0.847600 8.3526E+00 1.3554E+01 3.3615E+00 H1 1811 1.008000 0.423800 7.9774E+00 1.3947E+01 4.2010E+00 H2 1812 1.008000 0.423800 9.1221E+00 1.4110E+01 3.0479E+00 O6 1813 15.999400 -0.847600 -1.2325E+01 -4.5771E+00 5.1770E+00 H1 1814 1.008000 0.423800 -1.2971E+01 -5.1409E+00 4.6621E+00 H2 1815 1.008000 0.423800 -1.2507E+01 -4.6708E+00 6.1557E+00 O6 1816 15.999400 -0.847600 -1.4504E+00 6.5589E+00 -2.8583E+00 H1 1817 1.008000 0.423800 -1.7231E+00 6.7591E+00 -3.7994E+00 H2 1818 1.008000 0.423800 -4.8496E-01 6.7886E+00 -2.7351E+00 O6 1819 15.999400 -0.847600 1.3304E+01 2.0634E+00 1.5618E+01 H1 1820 1.008000 0.423800 1.3913E+01 2.5912E+00 1.6210E+01 H2 1821 1.008000 0.423800 1.2354E+01 2.2859E+00 1.5836E+01 O6 1822 15.999400 -0.847600 1.7605E+01 2.7020E+00 -1.0708E+01 H1 1823 1.008000 0.423800 1.7735E+01 1.7354E+00 -1.0486E+01 H2 1824 1.008000 0.423800 1.8439E+01 3.0626E+00 -1.1126E+01 O6 1825 15.999400 -0.847600 9.7508E+00 7.0707E+00 6.0493E+00 H1 1826 1.008000 0.423800 1.0380E+01 7.8370E+00 5.9198E+00 H2 1827 1.008000 0.423800 1.0136E+01 6.2486E+00 5.6303E+00 O6 1828 15.999400 -0.847600 6.1599E-01 -3.2537E+00 8.2995E-01 H1 1829 1.008000 0.423800 3.2792E-01 -4.1889E+00 1.0363E+00 H2 1830 1.008000 0.423800 6.7441E-02 -2.6105E+00 1.3641E+00 O6 1831 15.999400 -0.847600 -1.7673E+01 8.4776E+00 -1.7167E+01 H1 1832 1.008000 0.423800 -1.7221E+01 8.9232E+00 -1.6395E+01 H2 1833 1.008000 0.423800 -1.7042E+01 7.8298E+00 -1.7594E+01 O6 1834 15.999400 -0.847600 8.1306E+00 1.6730E+01 6.0893E+00 H1 1835 1.008000 0.423800 8.0614E+00 1.7124E+01 7.0058E+00 H2 1836 1.008000 0.423800 7.2770E+00 1.6260E+01 5.8632E+00 O6 1837 15.999400 -0.847600 -9.7799E+00 -1.9156E+01 -7.5521E+00 H1 1838 1.008000 0.423800 -1.0512E+01 1.9398E+01 -7.1421E+00 H2 1839 1.008000 0.423800 -9.0729E+00 1.9332E+01 -7.9104E+00 O6 1840 15.999400 -0.847600 1.2251E+00 2.4355E+00 -6.4501E+00 H1 1841 1.008000 0.423800 1.6588E+00 3.3348E+00 -6.3926E+00 H2 1842 1.008000 0.423800 9.6913E-01 2.1298E+00 -5.5330E+00 O6 1843 15.999400 -0.847600 9.8595E+00 6.9343E+00 -9.3229E-01 H1 1844 1.008000 0.423800 1.0493E+01 6.1802E+00 -1.1063E+00 H2 1845 1.008000 0.423800 9.0761E+00 6.5978E+00 -4.0971E-01 O6 1846 15.999400 -0.847600 -1.9194E+01 9.3811E+00 -1.3990E+01 H1 1847 1.008000 0.423800 -1.8787E+01 9.1860E+00 -1.3098E+01 H2 1848 1.008000 0.423800 -1.8477E+01 9.6529E+00 -1.4632E+01 O6 1849 15.999400 -0.847600 1.6204E+01 3.3545E+00 -5.2172E+00 H1 1850 1.008000 0.423800 1.7157E+01 3.2164E+00 -4.9487E+00 H2 1851 1.008000 0.423800 1.5607E+01 2.8259E+00 -4.6130E+00 O6 1852 15.999400 -0.847600 -1.8107E+01 9.4428E+00 5.2064E+00 H1 1853 1.008000 0.423800 -1.7243E+01 9.4433E+00 5.7104E+00 H2 1854 1.008000 0.423800 -1.7939E+01 9.1735E+00 4.2581E+00 O6 1855 15.999400 -0.847600 1.4206E+01 -1.9268E+01 -8.7614E+00 H1 1856 1.008000 0.423800 1.3822E+01 1.8988E+01 -9.1424E+00 H2 1857 1.008000 0.423800 1.4512E+01 -1.9437E+01 -7.8246E+00 O6 1858 15.999400 -0.847600 7.0827E+00 -1.4218E+01 8.9696E+00 H1 1859 1.008000 0.423800 7.1390E+00 -1.5207E+01 8.8321E+00 H2 1860 1.008000 0.423800 7.6220E+00 -1.3753E+01 8.2676E+00 O6 1861 15.999400 -0.847600 1.4101E+01 -1.3999E+01 1.5021E+01 H1 1862 1.008000 0.423800 1.4083E+01 -1.3431E+01 1.5844E+01 H2 1863 1.008000 0.423800 1.4142E+01 -1.3412E+01 1.4212E+01 O6 1864 15.999400 -0.847600 -1.2577E+01 1.2099E+01 5.8957E+00 H1 1865 1.008000 0.423800 -1.2358E+01 1.1659E+01 6.7666E+00 H2 1866 1.008000 0.423800 -1.2896E+01 1.1410E+01 5.2449E+00 O6 1867 15.999400 -0.847600 -7.6609E+00 2.3425E-01 9.5823E+00 H1 1868 1.008000 0.423800 -7.4100E+00 1.1882E+00 9.7469E+00 H2 1869 1.008000 0.423800 -8.1471E+00 1.6309E-01 8.7114E+00 O6 1870 15.999400 -0.847600 -4.6134E+00 -2.6733E+00 2.6484E+00 H1 1871 1.008000 0.423800 -4.3840E+00 -3.5717E+00 3.0230E+00 H2 1872 1.008000 0.423800 -5.5780E+00 -2.4760E+00 2.8228E+00 O6 1873 15.999400 -0.847600 -6.3907E+00 1.8277E+01 -2.3036E+00 H1 1874 1.008000 0.423800 -5.9828E+00 1.7447E+01 -2.6839E+00 H2 1875 1.008000 0.423800 -5.6689E+00 1.8935E+01 -2.0889E+00 O6 1876 15.999400 -0.847600 4.7568E-01 1.9218E+01 1.2384E+01 H1 1877 1.008000 0.423800 1.0550E+00 1.8423E+01 1.2200E+01 H2 1878 1.008000 0.423800 1.0918E-01 1.9155E+01 1.3312E+01 O6 1879 15.999400 -0.847600 -2.9667E+00 1.6647E+00 4.3847E+00 H1 1880 1.008000 0.423800 -3.0158E+00 2.0587E+00 5.3026E+00 H2 1881 1.008000 0.423800 -3.7426E+00 1.0497E+00 4.2441E+00 O6 1882 15.999400 -0.847600 8.1738E+00 -9.7618E+00 -1.0102E+01 H1 1883 1.008000 0.423800 8.9987E+00 -9.5240E+00 -1.0615E+01 H2 1884 1.008000 0.423800 8.4149E+00 -1.0372E+01 -9.3476E+00 O6 1885 15.999400 -0.847600 -1.6563E+01 1.7854E+00 5.5926E+00 H1 1886 1.008000 0.423800 -1.6575E+01 1.5855E+00 6.5724E+00 H2 1887 1.008000 0.423800 -1.7493E+01 1.7273E+00 5.2293E+00 O6 1888 15.999400 -0.847600 -1.1723E+01 -1.1918E+01 -9.2765E+00 H1 1889 1.008000 0.423800 -1.1508E+01 -1.2775E+01 -8.8066E+00 H2 1890 1.008000 0.423800 -1.0984E+01 -1.1692E+01 -9.9112E+00 O6 1891 15.999400 -0.847600 -1.8734E+01 -1.1788E+01 1.2908E+00 H1 1892 1.008000 0.423800 -1.7770E+01 -1.2020E+01 1.1620E+00 H2 1893 1.008000 0.423800 -1.9291E+01 -1.2615E+01 1.2094E+00 O6 1894 15.999400 -0.847600 1.1924E+00 8.5894E+00 5.4816E+00 H1 1895 1.008000 0.423800 1.3565E+00 8.2063E+00 4.5725E+00 H2 1896 1.008000 0.423800 3.9433E-01 9.1912E+00 5.4505E+00 O6 1897 15.999400 -0.847600 1.4944E+01 1.2648E+00 -4.0637E+00 H1 1898 1.008000 0.423800 1.4914E+01 1.1437E+00 -3.0715E+00 H2 1899 1.008000 0.423800 1.5621E+01 6.4116E-01 -4.4551E+00 O6 1900 15.999400 -0.847600 -1.4673E+01 -4.5850E+00 -1.1299E+01 H1 1901 1.008000 0.423800 -1.5219E+01 -4.7250E+00 -1.0473E+01 H2 1902 1.008000 0.423800 -1.4865E+01 -5.3158E+00 -1.1954E+01 O6 1903 15.999400 -0.847600 -1.0322E+01 -1.5116E+01 -1.2408E+01 H1 1904 1.008000 0.423800 -1.0580E+01 -1.4246E+01 -1.2829E+01 H2 1905 1.008000 0.423800 -9.4063E+00 -1.5036E+01 -1.2013E+01 O6 1906 15.999400 -0.847600 2.4606E+00 6.3166E+00 -1.5164E+01 H1 1907 1.008000 0.423800 2.8643E+00 5.4481E+00 -1.4876E+01 H2 1908 1.008000 0.423800 2.9876E+00 6.6930E+00 -1.5926E+01 O6 1909 15.999400 -0.847600 2.4552E+00 1.3108E+00 1.7410E+01 H1 1910 1.008000 0.423800 1.5542E+00 1.7425E+00 1.7454E+01 H2 1911 1.008000 0.423800 3.0031E+00 1.7532E+00 1.6701E+01 O6 1912 15.999400 -0.847600 -1.2098E+01 1.6307E+01 3.9746E-01 H1 1913 1.008000 0.423800 -1.1927E+01 1.5448E+01 8.8022E-01 H2 1914 1.008000 0.423800 -1.2781E+01 1.6840E+01 8.9687E-01 O6 1915 15.999400 -0.847600 1.4547E+01 -8.4484E+00 -1.4034E+00 H1 1916 1.008000 0.423800 1.3852E+01 -8.4470E+00 -6.8457E-01 H2 1917 1.008000 0.423800 1.4915E+01 -7.5250E+00 -1.5130E+00 O6 1918 15.999400 -0.847600 -1.5362E+01 9.4327E+00 5.4575E-01 H1 1919 1.008000 0.423800 -1.5202E+01 1.0380E+01 2.6975E-01 H2 1920 1.008000 0.423800 -1.4560E+01 9.0861E+00 1.0308E+00 O6 1921 15.999400 -0.847600 -7.3335E+00 4.3129E-01 -1.7392E+01 H1 1922 1.008000 0.423800 -7.0748E+00 -1.5426E-01 -1.6624E+01 H2 1923 1.008000 0.423800 -7.1156E+00 -3.0983E-02 -1.8252E+01 O6 1924 15.999400 -0.847600 3.8307E+00 1.2604E+01 -1.3693E+01 H1 1925 1.008000 0.423800 4.5323E+00 1.2937E+01 -1.4324E+01 H2 1926 1.008000 0.423800 3.6676E+00 1.3289E+01 -1.2984E+01 O6 1927 15.999400 -0.847600 1.3331E+01 9.1523E+00 1.1896E+01 H1 1928 1.008000 0.423800 1.3784E+01 9.1675E+00 1.1004E+01 H2 1929 1.008000 0.423800 1.2779E+01 8.3223E+00 1.1975E+01 O6 1930 15.999400 -0.847600 1.1752E+01 -1.9140E+01 -6.6091E+00 H1 1931 1.008000 0.423800 1.2003E+01 -1.9075E+01 -5.6432E+00 H2 1932 1.008000 0.423800 1.1972E+01 -1.8280E+01 -7.0694E+00 O6 1933 15.999400 -0.847600 1.8015E+00 4.3550E+00 9.8877E+00 H1 1934 1.008000 0.423800 2.3332E+00 4.8522E+00 1.0573E+01 H2 1935 1.008000 0.423800 1.8371E+00 3.3752E+00 1.0085E+01 O6 1936 15.999400 -0.847600 1.9069E+01 -2.9199E+00 1.4324E+01 H1 1937 1.008000 0.423800 1.9178E+01 -1.9437E+00 1.4511E+01 H2 1938 1.008000 0.423800 1.8976E+01 -3.4165E+00 1.5187E+01 O6 1939 15.999400 -0.847600 7.8900E+00 -9.4958E+00 5.6618E-01 H1 1940 1.008000 0.423800 7.2083E+00 -9.9616E+00 2.0479E-03 H2 1941 1.008000 0.423800 8.4040E+00 -1.0172E+01 1.0941E+00 O6 1942 15.999400 -0.847600 8.4061E-01 -1.7115E+01 -1.8205E+01 H1 1943 1.008000 0.423800 1.0094E+00 -1.7498E+01 -1.9114E+01 H2 1944 1.008000 0.423800 4.1940E-01 -1.6213E+01 -1.8297E+01 O6 1945 15.999400 -0.847600 9.6038E+00 8.7672E+00 1.7562E+01 H1 1946 1.008000 0.423800 9.0215E+00 8.7814E+00 1.8374E+01 H2 1947 1.008000 0.423800 1.0448E+01 8.2710E+00 1.7765E+01 O6 1948 15.999400 -0.847600 1.7697E+00 1.6463E+01 6.5042E+00 H1 1949 1.008000 0.423800 1.3016E+00 1.6446E+01 7.3878E+00 H2 1950 1.008000 0.423800 2.0156E+00 1.5531E+01 6.2394E+00 O6 1951 15.999400 -0.847600 1.9447E+01 -1.0415E+01 1.9206E+01 H1 1952 1.008000 0.423800 1.9300E+01 -1.0370E+01 1.8218E+01 H2 1953 1.008000 0.423800 -1.8675E+01 -1.0528E+01 1.9394E+01 O6 1954 15.999400 -0.847600 -1.9229E+01 3.9556E+00 3.6965E+00 H1 1955 1.008000 0.423800 -1.8275E+01 4.2241E+00 3.8344E+00 H2 1956 1.008000 0.423800 -1.9333E+01 2.9819E+00 3.8990E+00 O6 1957 15.999400 -0.847600 -1.3645E+01 1.0469E+00 4.9829E+00 H1 1958 1.008000 0.423800 -1.3936E+01 9.5421E-01 5.9353E+00 H2 1959 1.008000 0.423800 -1.3469E+01 1.4073E-01 4.5984E+00 O6 1960 15.999400 -0.847600 -1.3743E+01 1.1294E+01 -1.4754E+01 H1 1961 1.008000 0.423800 -1.2832E+01 1.1353E+01 -1.5162E+01 H2 1962 1.008000 0.423800 -1.3677E+01 1.1440E+01 -1.3767E+01 O6 1963 15.999400 -0.847600 1.4241E+01 1.1928E+01 -1.3319E+01 H1 1964 1.008000 0.423800 1.4694E+01 1.2251E+01 -1.2488E+01 H2 1965 1.008000 0.423800 1.3452E+01 1.1365E+01 -1.3071E+01 O6 1966 15.999400 -0.847600 8.6733E+00 -1.1743E+01 -3.3430E+00 H1 1967 1.008000 0.423800 8.1917E+00 -1.1923E+01 -2.4852E+00 H2 1968 1.008000 0.423800 9.5229E+00 -1.1251E+01 -3.1516E+00 O6 1969 15.999400 -0.847600 1.8542E+01 8.2447E+00 -8.0250E+00 H1 1970 1.008000 0.423800 1.8662E+01 7.3642E+00 -8.4836E+00 H2 1971 1.008000 0.423800 1.9435E+01 8.6756E+00 -7.8920E+00 O6 1972 15.999400 -0.847600 -1.1213E+01 6.7672E-02 -1.4358E+01 H1 1973 1.008000 0.423800 -1.1076E+01 3.7897E-01 -1.5298E+01 H2 1974 1.008000 0.423800 -1.0650E+01 -7.4116E-01 -1.4189E+01 O6 1975 15.999400 -0.847600 -9.8598E+00 -4.9984E+00 -2.7317E+00 H1 1976 1.008000 0.423800 -9.5542E+00 -4.4958E+00 -1.9230E+00 H2 1977 1.008000 0.423800 -9.0639E+00 -5.3180E+00 -3.2459E+00 O6 1978 15.999400 -0.847600 1.4786E+01 5.3303E+00 -1.4833E+01 H1 1979 1.008000 0.423800 1.4161E+01 4.5499E+00 -1.4804E+01 H2 1980 1.008000 0.423800 1.4700E+01 5.8570E+00 -1.3987E+01 O6 1981 15.999400 -0.847600 -9.6796E+00 1.5736E+01 2.6543E+00 H1 1982 1.008000 0.423800 -1.0355E+01 1.5017E+01 2.4885E+00 H2 1983 1.008000 0.423800 -1.0144E+01 1.6564E+01 2.9669E+00 O6 1984 15.999400 -0.847600 4.2703E-02 1.0166E+01 1.7924E+01 H1 1985 1.008000 0.423800 1.8019E-01 1.0757E+01 1.8719E+01 H2 1986 1.008000 0.423800 -5.0105E-01 1.0651E+01 1.7239E+01 O6 1987 15.999400 -0.847600 1.5008E+01 -8.8746E-01 6.8733E+00 H1 1988 1.008000 0.423800 1.5271E+01 -1.8485E+00 6.7872E+00 H2 1989 1.008000 0.423800 1.5684E+01 -4.0582E-01 7.4310E+00 O6 1990 15.999400 -0.847600 9.0273E+00 1.4014E+01 1.3434E+01 H1 1991 1.008000 0.423800 8.6615E+00 1.3378E+01 1.2755E+01 H2 1992 1.008000 0.423800 8.3594E+00 1.4138E+01 1.4168E+01 O6 1993 15.999400 -0.847600 -1.6606E+01 2.6943E+00 1.0014E+00 H1 1994 1.008000 0.423800 -1.6664E+01 3.4131E+00 1.6942E+00 H2 1995 1.008000 0.423800 -1.5967E+01 1.9879E+00 1.3075E+00 O6 1996 15.999400 -0.847600 -8.0848E+00 -3.8304E+00 -1.7374E+01 H1 1997 1.008000 0.423800 -8.6774E+00 -3.1472E+00 -1.7801E+01 H2 1998 1.008000 0.423800 -8.4477E+00 -4.7448E+00 -1.7553E+01 O6 1999 15.999400 -0.847600 -7.8180E+00 7.9432E+00 -1.5653E+01 H1 2000 1.008000 0.423800 -7.3370E+00 8.4906E+00 -1.6338E+01 H2 2001 1.008000 0.423800 -7.6618E+00 6.9720E+00 -1.5832E+01 O6 2002 15.999400 -0.847600 -1.5881E+01 1.8930E+01 -4.2898E+00 H1 2003 1.008000 0.423800 -1.4953E+01 1.8991E+01 -4.6569E+00 H2 2004 1.008000 0.423800 -1.5950E+01 1.9490E+01 -3.4639E+00 O6 2005 15.999400 -0.847600 2.6021E+00 -5.3283E+00 3.6812E+00 H1 2006 1.008000 0.423800 3.2099E+00 -4.7677E+00 3.1188E+00 H2 2007 1.008000 0.423800 2.9067E+00 -6.2804E+00 3.6537E+00 O6 2008 15.999400 -0.847600 1.2726E+01 4.5373E+00 -1.2600E+01 H1 2009 1.008000 0.423800 1.3313E+01 3.9628E+00 -1.2029E+01 H2 2010 1.008000 0.423800 1.2796E+01 5.4882E+00 -1.2299E+01 O6 2011 15.999400 -0.847600 1.5707E+01 -3.6160E+00 7.0176E+00 H1 2012 1.008000 0.423800 1.5422E+01 -4.4673E+00 7.4586E+00 H2 2013 1.008000 0.423800 1.6621E+01 -3.7312E+00 6.6289E+00 O6 2014 15.999400 -0.847600 -1.9062E+01 1.7867E+01 -1.5885E+01 H1 2015 1.008000 0.423800 1.9242E+01 1.8458E+01 -1.6029E+01 H2 2016 1.008000 0.423800 -1.8878E+01 1.7347E+01 -1.6720E+01 O6 2017 15.999400 -0.847600 1.9211E+01 -8.4826E+00 6.3926E+00 H1 2018 1.008000 0.423800 -1.9262E+01 -8.6698E+00 5.6346E+00 H2 2019 1.008000 0.423800 1.8449E+01 -7.9242E+00 6.0657E+00 O6 2020 15.999400 -0.847600 -1.6292E+01 7.4028E+00 -1.0737E+00 H1 2021 1.008000 0.423800 -1.5939E+01 8.2093E+00 -5.9938E-01 H2 2022 1.008000 0.423800 -1.7291E+01 7.4272E+00 -1.0740E+00 O6 2023 15.999400 -0.847600 9.5377E+00 1.3799E+01 -5.7608E+00 H1 2024 1.008000 0.423800 9.1541E+00 1.4712E+01 -5.6227E+00 H2 2025 1.008000 0.423800 1.0055E+01 1.3781E+01 -6.6163E+00 O6 2026 15.999400 -0.847600 5.3833E+00 1.8763E+00 -3.7853E-01 H1 2027 1.008000 0.423800 4.4132E+00 2.1167E+00 -4.1157E-01 H2 2028 1.008000 0.423800 5.4819E+00 9.3055E-01 -6.9010E-02 O6 2029 15.999400 -0.847600 -9.0631E+00 4.5839E+00 -4.7358E+00 H1 2030 1.008000 0.423800 -9.0780E+00 3.6101E+00 -4.5086E+00 H2 2031 1.008000 0.423800 -9.0570E+00 5.1226E+00 -3.8934E+00 O6 2032 15.999400 -0.847600 1.6806E+01 3.4261E+00 1.5709E+01 H1 2033 1.008000 0.423800 1.5841E+01 3.6852E+00 1.5731E+01 H2 2034 1.008000 0.423800 1.7329E+01 4.0343E+00 1.6306E+01 O6 2035 15.999400 -0.847600 6.1293E+00 4.5103E+00 1.7001E+01 H1 2036 1.008000 0.423800 5.4777E+00 5.0875E+00 1.6509E+01 H2 2037 1.008000 0.423800 7.0527E+00 4.8756E+00 1.6884E+01 O6 2038 15.999400 -0.847600 -6.1611E+00 -7.7563E+00 -2.8822E+00 H1 2039 1.008000 0.423800 -5.6827E+00 -7.5232E+00 -2.0355E+00 H2 2040 1.008000 0.423800 -6.5816E+00 -8.6589E+00 -2.7898E+00 O6 2041 15.999400 -0.847600 4.0904E+00 1.4435E+01 8.6505E+00 H1 2042 1.008000 0.423800 4.8563E+00 1.3847E+01 8.3901E+00 H2 2043 1.008000 0.423800 3.2421E+00 1.4065E+01 8.2723E+00 O6 2044 15.999400 -0.847600 1.3305E+01 8.0324E+00 1.9864E+00 H1 2045 1.008000 0.423800 1.3886E+01 7.2836E+00 1.6673E+00 H2 2046 1.008000 0.423800 1.3850E+01 8.6671E+00 2.5341E+00 O6 2047 15.999400 -0.847600 8.6465E+00 8.4008E+00 -1.2128E+01 H1 2048 1.008000 0.423800 9.5260E+00 8.6768E+00 -1.2516E+01 H2 2049 1.008000 0.423800 7.9628E+00 8.3493E+00 -1.2856E+01 O6 2050 15.999400 -0.847600 -1.1603E+01 1.6156E+00 -1.2732E+00 H1 2051 1.008000 0.423800 -1.2160E+01 2.2492E+00 -1.8100E+00 H2 2052 1.008000 0.423800 -1.2056E+01 1.4299E+00 -4.0129E-01 O6 2053 15.999400 -0.847600 -3.4319E+00 -1.6043E+01 -1.2475E+01 H1 2054 1.008000 0.423800 -2.9112E+00 -1.5249E+01 -1.2790E+01 H2 2055 1.008000 0.423800 -4.3678E+00 -1.5987E+01 -1.2823E+01 O6 2056 15.999400 -0.847600 5.7071E+00 -1.3496E+01 -1.0436E+01 H1 2057 1.008000 0.423800 5.1633E+00 -1.4328E+01 -1.0323E+01 H2 2058 1.008000 0.423800 5.3463E+00 -1.2779E+01 -9.8397E+00 O6 2059 15.999400 -0.847600 1.6666E+01 -4.7212E+00 -1.6863E+01 H1 2060 1.008000 0.423800 1.7040E+01 -4.2088E+00 -1.7637E+01 H2 2061 1.008000 0.423800 1.7399E+01 -5.2373E+00 -1.6420E+01 O6 2062 15.999400 -0.847600 1.7502E+01 -1.8039E+00 2.8476E+00 H1 2063 1.008000 0.423800 1.6625E+01 -2.2773E+00 2.9358E+00 H2 2064 1.008000 0.423800 1.8248E+01 -2.4537E+00 2.9937E+00 O6 2065 15.999400 -0.847600 -7.1621E+00 1.0353E+01 1.8247E+01 H1 2066 1.008000 0.423800 -7.0864E+00 9.5893E+00 1.7606E+01 H2 2067 1.008000 0.423800 -6.9281E+00 1.1205E+01 1.7779E+01 O6 2068 15.999400 -0.847600 8.7528E+00 1.0481E+00 1.5986E+01 H1 2069 1.008000 0.423800 8.8806E+00 2.4418E-01 1.5405E+01 H2 2070 1.008000 0.423800 7.8375E+00 1.0266E+00 1.6388E+01 O6 2071 15.999400 -0.847600 -3.7489E+00 1.5879E+00 8.2267E-01 H1 2072 1.008000 0.423800 -4.1081E+00 2.1255E+00 1.5856E+00 H2 2073 1.008000 0.423800 -2.9949E+00 2.0836E+00 3.9156E-01 O6 2074 15.999400 -0.847600 -8.2591E+00 4.1778E+00 1.7243E+01 H1 2075 1.008000 0.423800 -8.6989E+00 5.0458E+00 1.7474E+01 H2 2076 1.008000 0.423800 -8.9230E+00 3.5749E+00 1.6801E+01 O6 2077 15.999400 -0.847600 1.3021E+01 2.0087E+00 9.0720E+00 H1 2078 1.008000 0.423800 1.2573E+01 2.5979E+00 8.4002E+00 H2 2079 1.008000 0.423800 1.2393E+01 1.8258E+00 9.8277E+00 O6 2080 15.999400 -0.847600 -5.0936E+00 1.0511E+01 -1.0198E+01 H1 2081 1.008000 0.423800 -5.5461E+00 9.9360E+00 -9.5159E+00 H2 2082 1.008000 0.423800 -5.7312E+00 1.0710E+01 -1.0942E+01 O6 2083 15.999400 -0.847600 -4.7976E+00 -1.6923E-01 1.3390E+01 H1 2084 1.008000 0.423800 -4.1925E+00 -6.9434E-01 1.3989E+01 H2 2085 1.008000 0.423800 -4.4309E+00 7.5358E-01 1.3272E+01 O6 2086 15.999400 -0.847600 -8.8121E+00 6.1407E-02 1.6010E+01 H1 2087 1.008000 0.423800 -8.1887E+00 1.0739E-01 1.5229E+01 H2 2088 1.008000 0.423800 -9.2747E+00 9.4122E-01 1.6119E+01 O6 2089 15.999400 -0.847600 -3.7621E+00 3.0456E+00 6.6550E+00 H1 2090 1.008000 0.423800 -4.7610E+00 3.0882E+00 6.6319E+00 H2 2091 1.008000 0.423800 -3.4010E+00 3.8960E+00 7.0375E+00 O6 2092 15.999400 -0.847600 -7.5411E+00 -5.7200E+00 -3.9936E+00 H1 2093 1.008000 0.423800 -6.9698E+00 -6.3870E+00 -3.5153E+00 H2 2094 1.008000 0.423800 -7.7189E+00 -6.0399E+00 -4.9241E+00 O6 2095 15.999400 -0.847600 1.0219E+01 5.1152E+00 3.5501E+00 H1 2096 1.008000 0.423800 1.0677E+01 5.9434E+00 3.2280E+00 H2 2097 1.008000 0.423800 9.2779E+00 5.1020E+00 3.2111E+00 O6 2098 15.999400 -0.847600 -1.7673E+01 5.7071E+00 1.2477E+01 H1 2099 1.008000 0.423800 -1.6723E+01 5.4931E+00 1.2252E+01 H2 2100 1.008000 0.423800 -1.7858E+01 5.4468E+00 1.3424E+01 O6 2101 15.999400 -0.847600 -6.0741E+00 -1.7090E+01 -3.7293E+00 H1 2102 1.008000 0.423800 -6.7393E+00 -1.7397E+01 -4.4100E+00 H2 2103 1.008000 0.423800 -5.7722E+00 -1.6163E+01 -3.9527E+00 O6 2104 15.999400 -0.847600 6.4146E+00 -1.0801E+01 -1.5706E+00 H1 2105 1.008000 0.423800 6.7490E+00 -1.0105E+01 -2.2060E+00 H2 2106 1.008000 0.423800 5.5371E+00 -1.0510E+01 -1.1893E+00 O6 2107 15.999400 -0.847600 1.1672E+01 9.2360E+00 -9.7497E+00 H1 2108 1.008000 0.423800 1.2075E+01 9.1964E+00 -8.8354E+00 H2 2109 1.008000 0.423800 1.0742E+01 9.5985E+00 -9.6883E+00 O6 2110 15.999400 -0.847600 -1.4217E+01 -9.0469E+00 -1.5742E+01 H1 2111 1.008000 0.423800 -1.3507E+01 -8.3888E+00 -1.5491E+01 H2 2112 1.008000 0.423800 -1.5061E+01 -8.5586E+00 -1.5962E+01 O6 2113 15.999400 -0.847600 1.4741E+01 6.0356E+00 -1.7404E+01 H1 2114 1.008000 0.423800 1.5120E+01 5.7118E+00 -1.6537E+01 H2 2115 1.008000 0.423800 1.3743E+01 5.9764E+00 -1.7374E+01 O6 2116 15.999400 -0.847600 -9.7988E+00 1.5835E+01 -1.7978E+01 H1 2117 1.008000 0.423800 -9.2089E+00 1.5282E+01 -1.7390E+01 H2 2118 1.008000 0.423800 -9.2355E+00 1.6443E+01 -1.8538E+01 O6 2119 15.999400 -0.847600 5.5552E+00 -1.6170E+01 -2.3208E+00 H1 2120 1.008000 0.423800 5.6749E+00 -1.7135E+01 -2.0899E+00 H2 2121 1.008000 0.423800 6.1261E+00 -1.5943E+01 -3.1097E+00 O6 2122 15.999400 -0.847600 -5.0912E+00 1.5154E+01 1.2591E+01 H1 2123 1.008000 0.423800 -4.4812E+00 1.4364E+01 1.2535E+01 H2 2124 1.008000 0.423800 -4.9521E+00 1.5740E+01 1.1793E+01 O6 2125 15.999400 -0.847600 8.7290E+00 1.1829E+01 1.2621E+00 H1 2126 1.008000 0.423800 8.4781E+00 1.2643E+01 1.7861E+00 H2 2127 1.008000 0.423800 8.2463E+00 1.1835E+01 3.8637E-01 O6 2128 15.999400 -0.847600 -1.7354E+01 6.7275E-01 1.3872E+01 H1 2129 1.008000 0.423800 -1.7604E+01 1.6409E+00 1.3862E+01 H2 2130 1.008000 0.423800 -1.7398E+01 3.0703E-01 1.2942E+01 O6 2131 15.999400 -0.847600 1.7076E+01 -5.6334E+00 -1.1293E+01 H1 2132 1.008000 0.423800 1.7452E+01 -4.9585E+00 -1.0658E+01 H2 2133 1.008000 0.423800 1.6344E+01 -6.1436E+00 -1.0841E+01 O6 2134 15.999400 -0.847600 -1.4664E+01 1.3080E+01 -7.5044E+00 H1 2135 1.008000 0.423800 -1.4705E+01 1.3702E+01 -8.2864E+00 H2 2136 1.008000 0.423800 -1.4304E+01 1.3568E+01 -6.7090E+00 O6 2137 15.999400 -0.847600 -7.3797E+00 6.0451E+00 1.9656E+00 H1 2138 1.008000 0.423800 -6.6974E+00 6.1287E+00 1.2393E+00 H2 2139 1.008000 0.423800 -7.9703E+00 6.8520E+00 1.9625E+00 O6 2140 15.999400 -0.847600 5.7437E+00 -1.3692E+01 1.1231E+01 H1 2141 1.008000 0.423800 5.9469E+00 -1.4037E+01 1.0314E+01 H2 2142 1.008000 0.423800 4.7904E+00 -1.3393E+01 1.1271E+01 O6 2143 15.999400 -0.847600 1.7639E+01 1.5852E+01 -1.7823E+01 H1 2144 1.008000 0.423800 1.8577E+01 1.6173E+01 -1.7694E+01 H2 2145 1.008000 0.423800 1.7351E+01 1.5331E+01 -1.7020E+01 O6 2146 15.999400 -0.847600 -4.0218E+00 1.7406E+01 -5.7360E-02 H1 2147 1.008000 0.423800 -4.9336E+00 1.7228E+01 3.1281E-01 H2 2148 1.008000 0.423800 -3.8500E+00 1.8391E+01 -5.9960E-02 O6 2149 15.999400 -0.847600 -4.9534E+00 -1.6839E+01 -8.8910E+00 H1 2150 1.008000 0.423800 -5.5572E+00 -1.6627E+01 -8.1224E+00 H2 2151 1.008000 0.423800 -5.2328E+00 -1.6307E+01 -9.6904E+00 O6 2152 15.999400 -0.847600 2.6104E+00 3.2501E-01 6.9327E+00 H1 2153 1.008000 0.423800 2.2663E+00 3.5833E-01 7.8711E+00 H2 2154 1.008000 0.423800 2.4535E+00 -5.8643E-01 6.5524E+00 O6 2155 15.999400 -0.847600 -8.9321E+00 -1.2354E+01 6.8108E+00 H1 2156 1.008000 0.423800 -9.8199E+00 -1.2139E+01 7.2177E+00 H2 2157 1.008000 0.423800 -8.3914E+00 -1.1517E+01 6.7284E+00 O6 2158 15.999400 -0.847600 -1.0511E+01 -1.8370E+01 -1.8294E+01 H1 2159 1.008000 0.423800 -1.1344E+01 -1.8920E+01 -1.8351E+01 H2 2160 1.008000 0.423800 -1.0417E+01 -1.7820E+01 -1.9124E+01 O6 2161 15.999400 -0.847600 1.3172E+00 -3.2199E+00 -7.5589E+00 H1 2162 1.008000 0.423800 4.6804E-01 -3.7426E+00 -7.6346E+00 H2 2163 1.008000 0.423800 1.4813E+00 -2.9877E+00 -6.6002E+00 O6 2164 15.999400 -0.847600 -1.3417E+01 1.1303E+01 -5.3357E+00 H1 2165 1.008000 0.423800 -1.4194E+01 1.1240E+01 -4.7091E+00 H2 2166 1.008000 0.423800 -1.3673E+01 1.1855E+01 -6.1289E+00 O6 2167 15.999400 -0.847600 -1.9254E+01 -3.9166E+00 -1.5418E+01 H1 2168 1.008000 0.423800 1.9521E+01 -4.0655E+00 -1.4483E+01 H2 2169 1.008000 0.423800 -1.9169E+01 -2.9350E+00 -1.5589E+01 O6 2170 15.999400 -0.847600 -5.4877E+00 4.9804E+00 1.5087E+01 H1 2171 1.008000 0.423800 -4.8370E+00 5.5461E+00 1.5594E+01 H2 2172 1.008000 0.423800 -6.1744E+00 5.5663E+00 1.4657E+01 O6 2173 15.999400 -0.847600 -6.9685E+00 4.8572E+00 8.3108E+00 H1 2174 1.008000 0.423800 -6.2790E+00 5.5652E+00 8.4639E+00 H2 2175 1.008000 0.423800 -6.7374E+00 4.3397E+00 7.4869E+00 O6 2176 15.999400 -0.847600 1.7155E+01 1.0720E+01 -7.8804E+00 H1 2177 1.008000 0.423800 1.7412E+01 9.8735E+00 -7.4138E+00 H2 2178 1.008000 0.423800 1.7051E+01 1.0543E+01 -8.8591E+00 O6 2179 15.999400 -0.847600 7.1746E+00 9.3636E+00 -3.4267E+00 H1 2180 1.008000 0.423800 7.5128E+00 9.7638E+00 -2.5749E+00 H2 2181 1.008000 0.423800 6.8550E+00 8.4321E+00 -3.2532E+00 O6 2182 15.999400 -0.847600 5.4014E+00 5.9393E+00 9.3888E+00 H1 2183 1.008000 0.423800 5.1052E+00 5.5541E+00 8.5147E+00 H2 2184 1.008000 0.423800 6.3549E+00 5.6894E+00 9.5570E+00 O6 2185 15.999400 -0.847600 -5.1220E+00 -1.4404E+01 -1.0461E+01 H1 2186 1.008000 0.423800 -4.2736E+00 -1.4928E+01 -1.0535E+01 H2 2187 1.008000 0.423800 -5.2019E+00 -1.3787E+01 -1.1244E+01 O6 2188 15.999400 -0.847600 2.3031E+00 1.3112E+01 6.0767E-01 H1 2189 1.008000 0.423800 2.0805E+00 1.3068E+01 -3.6630E-01 H2 2190 1.008000 0.423800 2.8042E+00 1.2288E+01 8.7228E-01 O6 2191 15.999400 -0.847600 -3.1646E-01 -8.4040E-01 -1.7908E+01 H1 2192 1.008000 0.423800 5.2614E-01 -3.1129E-01 -1.8008E+01 H2 2193 1.008000 0.423800 -1.0953E+00 -2.8538E-01 -1.8200E+01 O6 2194 15.999400 -0.847600 -1.4924E+01 -1.5256E+01 1.2220E+01 H1 2195 1.008000 0.423800 -1.4736E+01 -1.4383E+01 1.2670E+01 H2 2196 1.008000 0.423800 -1.4358E+01 -1.5971E+01 1.2631E+01 O6 2197 15.999400 -0.847600 -8.1321E+00 2.8250E+00 -1.7055E+01 H1 2198 1.008000 0.423800 -7.3200E+00 3.3729E+00 -1.6854E+01 H2 2199 1.008000 0.423800 -7.8546E+00 1.8975E+00 -1.7306E+01 O6 2200 15.999400 -0.847600 -1.0868E+01 8.0779E+00 1.6261E+01 H1 2201 1.008000 0.423800 -1.0791E+01 7.8917E+00 1.5281E+01 H2 2202 1.008000 0.423800 -1.0650E+01 9.0379E+00 1.6436E+01 O6 2203 15.999400 -0.847600 9.8910E+00 -7.8798E+00 1.2553E+01 H1 2204 1.008000 0.423800 9.5092E+00 -7.7084E+00 1.3462E+01 H2 2205 1.008000 0.423800 1.0146E+01 -7.0106E+00 1.2129E+01 O6 2206 15.999400 -0.847600 1.2582E+00 -1.0150E+01 1.3155E+01 H1 2207 1.008000 0.423800 1.5282E+00 -1.0909E+01 1.3748E+01 H2 2208 1.008000 0.423800 8.6119E-01 -1.0511E+01 1.2311E+01 O6 2209 15.999400 -0.847600 1.0203E+01 -8.7877E-04 1.9062E+01 H1 2210 1.008000 0.423800 1.0768E+01 8.2392E-01 1.9028E+01 H2 2211 1.008000 0.423800 1.0406E+01 -5.7564E-01 1.8269E+01 O6 2212 15.999400 -0.847600 1.1058E+01 7.4976E+00 1.1642E+01 H1 2213 1.008000 0.423800 1.0162E+01 7.7716E+00 1.1292E+01 H2 2214 1.008000 0.423800 1.1015E+01 7.4108E+00 1.2637E+01 O6 2215 15.999400 -0.847600 1.3889E+00 -1.8722E+01 -1.3028E+01 H1 2216 1.008000 0.423800 2.0799E+00 -1.8580E+01 -1.3737E+01 H2 2217 1.008000 0.423800 6.2122E-01 -1.9237E+01 -1.3409E+01 O6 2218 15.999400 -0.847600 -1.2433E+01 -9.6031E+00 -1.2701E+01 H1 2219 1.008000 0.423800 -1.1560E+01 -9.8214E+00 -1.2263E+01 H2 2220 1.008000 0.423800 -1.2319E+01 -8.8018E+00 -1.3288E+01 O6 2221 15.999400 -0.847600 -1.7821E+01 1.1594E+01 3.4848E+00 H1 2222 1.008000 0.423800 -1.8604E+01 1.1407E+01 2.8918E+00 H2 2223 1.008000 0.423800 -1.7656E+01 1.0805E+01 4.0771E+00 O6 2224 15.999400 -0.847600 2.7458E+00 -1.3172E+01 -5.3311E+00 H1 2225 1.008000 0.423800 2.8963E+00 -1.3721E+01 -4.5085E+00 H2 2226 1.008000 0.423800 2.3903E+00 -1.3756E+01 -6.0607E+00 O6 2227 15.999400 -0.847600 2.0990E-02 -1.7521E+00 -1.3891E+01 H1 2228 1.008000 0.423800 7.0933E-01 -1.5560E+00 -1.4589E+01 H2 2229 1.008000 0.423800 3.8391E-01 -2.4233E+00 -1.3245E+01 O6 2230 15.999400 -0.847600 -8.9170E+00 8.3995E+00 3.7984E+00 H1 2231 1.008000 0.423800 -8.9137E+00 8.2171E+00 2.8152E+00 H2 2232 1.008000 0.423800 -8.8791E+00 7.5342E+00 4.2981E+00 O6 2233 15.999400 -0.847600 -1.8269E+01 1.8993E+01 6.9106E+00 H1 2234 1.008000 0.423800 -1.7428E+01 1.8820E+01 6.3978E+00 H2 2235 1.008000 0.423800 -1.8537E+01 -1.9148E+01 6.7982E+00 O6 2236 15.999400 -0.847600 -9.0061E+00 -5.2103E+00 -8.5519E+00 H1 2237 1.008000 0.423800 -8.2515E+00 -5.4516E+00 -7.9417E+00 H2 2238 1.008000 0.423800 -9.7657E+00 -5.8449E+00 -8.4098E+00 O6 2239 15.999400 -0.847600 -7.7418E+00 -1.5959E+01 -1.1293E+01 H1 2240 1.008000 0.423800 -7.8108E+00 -1.5371E+01 -1.0487E+01 H2 2241 1.008000 0.423800 -7.8664E+00 -1.6913E+01 -1.1021E+01 O6 2242 15.999400 -0.847600 1.8872E+01 7.1915E+00 7.4431E+00 H1 2243 1.008000 0.423800 1.7883E+01 7.1709E+00 7.5897E+00 H2 2244 1.008000 0.423800 1.9129E+01 6.4683E+00 6.8022E+00 O6 2245 15.999400 -0.847600 -1.8332E+00 -2.4764E+00 -4.5764E+00 H1 2246 1.008000 0.423800 -8.7407E-01 -2.2704E+00 -4.7703E+00 H2 2247 1.008000 0.423800 -2.1160E+00 -3.2761E+00 -5.1060E+00 O6 2248 15.999400 -0.847600 1.5676E+01 1.9217E+01 -6.4293E+00 H1 2249 1.008000 0.423800 1.5466E+01 1.8388E+01 -5.9123E+00 H2 2250 1.008000 0.423800 1.6365E+01 1.9012E+01 -7.1239E+00 O6 2251 15.999400 -0.847600 5.7344E-01 -1.2008E+01 1.1040E+01 H1 2252 1.008000 0.423800 1.1691E+00 -1.1944E+01 1.0240E+01 H2 2253 1.008000 0.423800 -3.7956E-01 -1.1904E+01 1.0756E+01 O6 2254 15.999400 -0.847600 1.3568E+01 -8.3787E-01 -9.0217E+00 H1 2255 1.008000 0.423800 1.2749E+01 -3.2093E-01 -9.2710E+00 H2 2256 1.008000 0.423800 1.3740E+01 -7.3760E-01 -8.0417E+00 O6 2257 15.999400 -0.847600 -6.7413E+00 -1.2668E+01 -4.2210E+00 H1 2258 1.008000 0.423800 -6.5992E+00 -1.1887E+01 -3.6125E+00 H2 2259 1.008000 0.423800 -7.5371E+00 -1.3189E+01 -3.9135E+00 O6 2260 15.999400 -0.847600 -9.8550E+00 2.1707E+00 -1.9214E+01 H1 2261 1.008000 0.423800 -9.3030E+00 1.8187E+00 1.9128E+01 H2 2262 1.008000 0.423800 -9.2530E+00 2.4910E+00 -1.8482E+01 O6 2263 15.999400 -0.847600 -1.8620E+01 1.7162E+01 -8.3488E+00 H1 2264 1.008000 0.423800 -1.9167E+01 1.7205E+01 -7.5123E+00 H2 2265 1.008000 0.423800 -1.7789E+01 1.7706E+01 -8.2320E+00 O6 2266 15.999400 -0.847600 -1.5627E+01 8.3738E+00 -6.5461E+00 H1 2267 1.008000 0.423800 -1.5495E+01 8.6807E+00 -5.6035E+00 H2 2268 1.008000 0.423800 -1.5331E+01 7.4225E+00 -6.6315E+00 O6 2269 15.999400 -0.847600 1.5287E+01 1.7675E+01 1.2199E+01 H1 2270 1.008000 0.423800 1.5500E+01 1.8643E+01 1.2067E+01 H2 2271 1.008000 0.423800 1.4349E+01 1.7582E+01 1.2533E+01 O6 2272 15.999400 -0.847600 -8.0075E+00 1.8055E+01 1.2169E+01 H1 2273 1.008000 0.423800 -7.5985E+00 1.7267E+01 1.2630E+01 H2 2274 1.008000 0.423800 -7.4028E+00 1.8846E+01 1.2262E+01 O6 2275 15.999400 -0.847600 -1.8467E+01 1.6080E+01 -1.7833E+01 H1 2276 1.008000 0.423800 -1.7709E+01 1.6284E+01 -1.8454E+01 H2 2277 1.008000 0.423800 -1.8303E+01 1.5201E+01 -1.7385E+01 O6 2278 15.999400 -0.847600 -7.1869E+00 1.6679E+01 8.9180E+00 H1 2279 1.008000 0.423800 -8.0977E+00 1.6545E+01 9.3084E+00 H2 2280 1.008000 0.423800 -7.2588E+00 1.6758E+01 7.9237E+00 O6 2281 15.999400 -0.847600 -8.1678E+00 1.7883E+01 1.9437E+01 H1 2282 1.008000 0.423800 -8.0352E+00 1.8388E+01 1.8584E+01 H2 2283 1.008000 0.423800 -7.8853E+00 1.8452E+01 -1.8889E+01 O6 2284 15.999400 -0.847600 -9.7600E+00 1.0072E+01 -1.9172E+01 H1 2285 1.008000 0.423800 -9.1818E+00 1.0504E+01 1.9233E+01 H2 2286 1.008000 0.423800 -1.0337E+01 1.0766E+01 -1.8740E+01 O6 2287 15.999400 -0.847600 1.4190E+01 1.5866E+01 -1.7369E+01 H1 2288 1.008000 0.423800 1.3441E+01 1.5249E+01 -1.7125E+01 H2 2289 1.008000 0.423800 1.5027E+01 1.5572E+01 -1.6908E+01 O6 2290 15.999400 -0.847600 1.7849E+01 -1.3083E+01 -1.4585E+01 H1 2291 1.008000 0.423800 1.8271E+01 -1.3815E+01 -1.4050E+01 H2 2292 1.008000 0.423800 1.7105E+01 -1.3460E+01 -1.5138E+01 O6 2293 15.999400 -0.847600 1.2388E+00 -1.8098E+01 1.8364E+01 H1 2294 1.008000 0.423800 2.1129E+00 -1.7758E+01 1.8017E+01 H2 2295 1.008000 0.423800 9.7003E-01 -1.8912E+01 1.7849E+01 O6 2296 15.999400 -0.847600 -2.8993E-01 -1.1932E+01 -8.3751E-01 H1 2297 1.008000 0.423800 5.7719E-01 -1.1440E+01 -9.1514E-01 H2 2298 1.008000 0.423800 -8.8168E-01 -1.1688E+01 -1.6057E+00 O6 2299 15.999400 -0.847600 1.6531E+01 -1.3823E+01 -9.0650E+00 H1 2300 1.008000 0.423800 1.6101E+01 -1.3119E+01 -8.4993E+00 H2 2301 1.008000 0.423800 1.6116E+01 -1.3818E+01 -9.9750E+00 O6 2302 15.999400 -0.847600 -1.2061E+01 8.2715E-01 9.1242E+00 H1 2303 1.008000 0.423800 -1.1361E+01 1.5084E+00 9.3373E+00 H2 2304 1.008000 0.423800 -1.1662E+01 1.0412E-01 8.5603E+00 O6 2305 15.999400 -0.847600 4.5781E+00 7.7700E+00 2.6292E+00 H1 2306 1.008000 0.423800 5.2415E+00 7.6312E+00 1.8938E+00 H2 2307 1.008000 0.423800 4.7241E+00 8.6678E+00 3.0446E+00 O6 2308 15.999400 -0.847600 -8.2647E+00 1.1495E+01 -1.6794E+01 H1 2309 1.008000 0.423800 -8.0846E+00 1.0713E+01 -1.7391E+01 H2 2310 1.008000 0.423800 -8.1386E+00 1.2343E+01 -1.7309E+01 O6 2311 15.999400 -0.847600 4.0410E+00 -9.6672E+00 -1.2742E+01 H1 2312 1.008000 0.423800 3.3702E+00 -9.9698E+00 -1.2065E+01 H2 2313 1.008000 0.423800 4.9201E+00 -1.0108E+01 -1.2560E+01 O6 2314 15.999400 -0.847600 -1.3728E+01 5.7535E-01 1.1397E+01 H1 2315 1.008000 0.423800 -1.3268E+01 2.3008E-01 1.0579E+01 H2 2316 1.008000 0.423800 -1.3296E+01 1.8827E-01 1.2212E+01 O6 2317 15.999400 -0.847600 -7.0039E+00 -7.1492E+00 8.8997E+00 H1 2318 1.008000 0.423800 -6.9300E+00 -7.3292E+00 9.8806E+00 H2 2319 1.008000 0.423800 -7.9368E+00 -6.8618E+00 8.6830E+00 O6 2320 15.999400 -0.847600 -8.3559E+00 -5.9845E+00 1.5009E+01 H1 2321 1.008000 0.423800 -8.9755E+00 -6.5284E+00 1.4443E+01 H2 2322 1.008000 0.423800 -7.4517E+00 -6.4113E+00 1.5018E+01 O6 2323 15.999400 -0.847600 5.7361E+00 1.1778E+00 -1.6795E+01 H1 2324 1.008000 0.423800 5.5483E+00 2.4105E-01 -1.6500E+01 H2 2325 1.008000 0.423800 6.0537E+00 1.1709E+00 -1.7743E+01 O6 2326 15.999400 -0.847600 -3.5173E+00 -1.3481E+01 1.7770E+00 H1 2327 1.008000 0.423800 -3.6250E+00 -1.2739E+01 1.1159E+00 H2 2328 1.008000 0.423800 -4.1293E+00 -1.3328E+01 2.5529E+00 O6 2329 15.999400 -0.847600 -5.7636E-01 5.9738E+00 1.4783E+01 H1 2330 1.008000 0.423800 -1.1606E+00 5.4795E+00 1.5427E+01 H2 2331 1.008000 0.423800 3.8272E-01 5.7694E+00 1.4979E+01 O6 2332 15.999400 -0.847600 -1.0332E+01 -8.2735E+00 4.6573E+00 H1 2333 1.008000 0.423800 -1.0863E+01 -9.0934E+00 4.4429E+00 H2 2334 1.008000 0.423800 -9.6466E+00 -8.1244E+00 3.9445E+00 O6 2335 15.999400 -0.847600 -5.1652E+00 -1.1483E+00 8.6980E+00 H1 2336 1.008000 0.423800 -5.3340E+00 -1.8149E+00 9.4240E+00 H2 2337 1.008000 0.423800 -5.7067E+00 -3.2513E-01 8.8689E+00 O6 2338 15.999400 -0.847600 1.4562E+01 9.5265E+00 -1.9474E+01 H1 2339 1.008000 0.423800 1.5085E+01 8.9885E+00 -1.8812E+01 H2 2340 1.008000 0.423800 1.4711E+01 9.1610E+00 1.8705E+01 O6 2341 15.999400 -0.847600 -1.5474E+01 -4.6835E+00 1.1447E+01 H1 2342 1.008000 0.423800 -1.5937E+01 -5.1150E+00 1.0673E+01 H2 2343 1.008000 0.423800 -1.6155E+01 -4.3314E+00 1.2089E+01 O6 2344 15.999400 -0.847600 -1.4543E+01 1.3985E+01 1.3357E+01 H1 2345 1.008000 0.423800 -1.3929E+01 1.4579E+01 1.3877E+01 H2 2346 1.008000 0.423800 -1.4052E+01 1.3599E+01 1.2576E+01 O6 2347 15.999400 -0.847600 -1.4882E+01 -1.5443E+01 -3.0150E+00 H1 2348 1.008000 0.423800 -1.4678E+01 -1.5226E+01 -2.0606E+00 H2 2349 1.008000 0.423800 -1.5532E+01 -1.4774E+01 -3.3773E+00 O6 2350 15.999400 -0.847600 -1.6121E+01 5.3625E+00 9.0248E+00 H1 2351 1.008000 0.423800 -1.6628E+01 4.6823E+00 8.4951E+00 H2 2352 1.008000 0.423800 -1.5872E+01 4.9758E+00 9.9128E+00 O6 2353 15.999400 -0.847600 1.5061E+01 -7.2316E+00 -9.8116E+00 H1 2354 1.008000 0.423800 1.4087E+01 -7.4575E+00 -9.7771E+00 H2 2355 1.008000 0.423800 1.5599E+01 -8.0375E+00 -9.5650E+00 O6 2356 15.999400 -0.847600 -3.5713E+00 -2.2211E+00 -8.8943E+00 H1 2357 1.008000 0.423800 -4.3658E+00 -2.4366E+00 -8.3265E+00 H2 2358 1.008000 0.423800 -2.9307E+00 -1.6587E+00 -8.3716E+00 O6 2359 15.999400 -0.847600 -1.8734E+01 1.7524E+01 9.1603E+00 H1 2360 1.008000 0.423800 -1.8294E+01 1.8112E+01 8.4817E+00 H2 2361 1.008000 0.423800 -1.8518E+01 1.6567E+01 8.9632E+00 O6 2362 15.999400 -0.847600 -3.9243E+00 1.4581E+01 -4.4484E-01 H1 2363 1.008000 0.423800 -3.6065E+00 1.5510E+01 -6.3569E-01 H2 2364 1.008000 0.423800 -3.2782E+00 1.4127E+01 1.6898E-01 O6 2365 15.999400 -0.847600 1.7262E+01 5.5253E+00 1.7930E+01 H1 2366 1.008000 0.423800 1.6865E+01 4.7224E+00 1.8375E+01 H2 2367 1.008000 0.423800 1.8142E+01 5.7411E+00 1.8354E+01 O6 2368 15.999400 -0.847600 1.6938E+00 -1.6410E+01 2.4499E+00 H1 2369 1.008000 0.423800 1.1093E+00 -1.5969E+01 3.1309E+00 H2 2370 1.008000 0.423800 1.7421E+00 -1.5838E+01 1.6312E+00 O6 2371 15.999400 -0.847600 -3.3708E+00 7.2251E+00 1.1732E+01 H1 2372 1.008000 0.423800 -2.6470E+00 6.5930E+00 1.2009E+01 H2 2373 1.008000 0.423800 -3.0525E+00 7.7802E+00 1.0963E+01 O6 2374 15.999400 -0.847600 4.3951E+00 -3.6518E+00 2.6397E+00 H1 2375 1.008000 0.423800 5.0964E+00 -3.4025E+00 3.3076E+00 H2 2376 1.008000 0.423800 3.6102E+00 -3.0398E+00 2.7364E+00 O6 2377 15.999400 -0.847600 -1.0420E+01 1.8412E+01 1.1012E+01 H1 2378 1.008000 0.423800 -1.0941E+01 1.8767E+01 1.1788E+01 H2 2379 1.008000 0.423800 -9.4772E+00 1.8235E+01 1.1296E+01 O6 2380 15.999400 -0.847600 -1.1414E+01 -1.3965E+01 -1.6123E+01 H1 2381 1.008000 0.423800 -1.2260E+01 -1.4437E+01 -1.6371E+01 H2 2382 1.008000 0.423800 -1.0651E+01 -1.4610E+01 -1.6153E+01 O6 2383 15.999400 -0.847600 1.0974E+01 -1.6907E+01 1.8320E+00 H1 2384 1.008000 0.423800 1.0117E+01 -1.7259E+01 2.2086E+00 H2 2385 1.008000 0.423800 1.1745E+01 -1.7316E+01 2.3202E+00 O6 2386 15.999400 -0.847600 1.0638E+01 4.0876E+00 1.1744E+01 H1 2387 1.008000 0.423800 1.1493E+01 4.2003E+00 1.2251E+01 H2 2388 1.008000 0.423800 1.0696E+01 4.5869E+00 1.0880E+01 O6 2389 15.999400 -0.847600 -1.7088E+01 1.9245E+01 -7.0866E+00 H1 2390 1.008000 0.423800 -1.7238E+01 -1.8961E+01 -7.5120E+00 H2 2391 1.008000 0.423800 -1.6716E+01 1.9372E+01 -6.1673E+00 O6 2392 15.999400 -0.847600 7.9927E+00 3.6713E+00 -2.2605E+00 H1 2393 1.008000 0.423800 7.0712E+00 3.6925E+00 -2.6484E+00 H2 2394 1.008000 0.423800 7.9374E+00 3.4811E+00 -1.2804E+00 O6 2395 15.999400 -0.847600 9.5350E+00 -2.3029E+00 -6.0171E+00 H1 2396 1.008000 0.423800 9.3253E+00 -2.1491E+00 -6.9827E+00 H2 2397 1.008000 0.423800 9.6884E+00 -3.2786E+00 -5.8607E+00 O6 2398 15.999400 -0.847600 -1.4551E+01 8.3735E+00 -3.3661E+00 H1 2399 1.008000 0.423800 -1.3896E+01 7.6812E+00 -3.6682E+00 H2 2400 1.008000 0.423800 -1.4928E+01 8.1100E+00 -2.4784E+00 O6 2401 15.999400 -0.847600 -1.3180E+01 4.4966E+00 1.0458E+00 H1 2402 1.008000 0.423800 -1.3188E+01 4.0124E+00 1.7082E-01 H2 2403 1.008000 0.423800 -1.2999E+01 3.8474E+00 1.7844E+00 O6 2404 15.999400 -0.847600 1.8912E+01 5.0211E+00 1.3811E+00 H1 2405 1.008000 0.423800 1.9250E+01 4.6114E+00 2.2284E+00 H2 2406 1.008000 0.423800 1.9430E+01 4.6594E+00 6.0604E-01 O6 2407 15.999400 -0.847600 -1.4581E+01 1.0019E+01 -1.7094E+01 H1 2408 1.008000 0.423800 -1.4499E+01 9.0329E+00 -1.6951E+01 H2 2409 1.008000 0.423800 -1.4362E+01 1.0498E+01 -1.6244E+01 O6 2410 15.999400 -0.847600 -1.5875E+01 1.4825E+00 -9.7662E+00 H1 2411 1.008000 0.423800 -1.5636E+01 1.5691E+00 -8.7991E+00 H2 2412 1.008000 0.423800 -1.5336E+01 2.1320E+00 -1.0302E+01 O6 2413 15.999400 -0.847600 -1.7818E+01 7.5566E+00 8.7026E+00 H1 2414 1.008000 0.423800 -1.7356E+01 6.6862E+00 8.8749E+00 H2 2415 1.008000 0.423800 -1.8660E+01 7.3916E+00 8.1898E+00 O6 2416 15.999400 -0.847600 7.1535E+00 -4.0440E+00 4.4182E+00 H1 2417 1.008000 0.423800 7.5081E+00 -3.3545E+00 3.7867E+00 H2 2418 1.008000 0.423800 7.2254E+00 -3.7051E+00 5.3563E+00 O6 2419 15.999400 -0.847600 1.5912E+01 -6.7939E+00 2.0068E+00 H1 2420 1.008000 0.423800 1.6219E+01 -6.2258E+00 2.7705E+00 H2 2421 1.008000 0.423800 1.6637E+01 -7.4370E+00 1.7579E+00 O6 2422 15.999400 -0.847600 -5.3170E+00 -1.0609E+01 7.2386E+00 H1 2423 1.008000 0.423800 -4.7276E+00 -9.8153E+00 7.3897E+00 H2 2424 1.008000 0.423800 -6.2688E+00 -1.0310E+01 7.1728E+00 O6 2425 15.999400 -0.847600 -1.4851E+01 5.3337E+00 -6.9464E+00 H1 2426 1.008000 0.423800 -1.4277E+01 4.7908E+00 -6.3336E+00 H2 2427 1.008000 0.423800 -1.4797E+01 4.9594E+00 -7.8722E+00 O6 2428 15.999400 -0.847600 1.7024E+01 -1.3052E+01 1.2186E+01 H1 2429 1.008000 0.423800 1.7509E+01 -1.2389E+01 1.2756E+01 H2 2430 1.008000 0.423800 1.7684E+01 -1.3655E+01 1.1739E+01 O6 2431 15.999400 -0.847600 1.6654E+01 9.5873E+00 1.4140E+00 H1 2432 1.008000 0.423800 1.6047E+01 1.0057E+01 2.0553E+00 H2 2433 1.008000 0.423800 1.6162E+01 9.4042E+00 5.6293E-01 O6 2434 15.999400 -0.847600 1.3932E+01 -9.5717E+00 3.7088E+00 H1 2435 1.008000 0.423800 1.4930E+01 -9.5032E+00 3.6920E+00 H2 2436 1.008000 0.423800 1.3648E+01 -1.0416E+01 3.2533E+00 O6 2437 15.999400 -0.847600 1.9002E+01 -1.6531E+01 1.9033E+01 H1 2438 1.008000 0.423800 1.9342E+01 -1.7446E+01 1.8815E+01 H2 2439 1.008000 0.423800 1.9018E+01 -1.5964E+01 1.8209E+01 O6 2440 15.999400 -0.847600 1.4695E+01 -4.3118E+00 1.9297E+01 H1 2441 1.008000 0.423800 1.3974E+01 -4.9479E+00 -1.9527E+01 H2 2442 1.008000 0.423800 1.5550E+01 -4.5629E+00 -1.9348E+01 O6 2443 15.999400 -0.847600 -7.1307E+00 1.3416E+01 -1.8797E+01 H1 2444 1.008000 0.423800 -6.7705E+00 1.4288E+01 -1.9130E+01 H2 2445 1.008000 0.423800 -6.4388E+00 1.2704E+01 -1.8912E+01 O6 2446 15.999400 -0.847600 9.7032E+00 -1.1099E+00 1.4339E+01 H1 2447 1.008000 0.423800 1.0552E+01 -5.8188E-01 1.4370E+01 H2 2448 1.008000 0.423800 9.8967E+00 -2.0327E+00 1.4006E+01 O6 2449 15.999400 -0.847600 -1.4443E+01 -1.1385E+01 -8.3304E+00 H1 2450 1.008000 0.423800 -1.3573E+01 -1.1235E+01 -8.8005E+00 H2 2451 1.008000 0.423800 -1.4278E+01 -1.1498E+01 -7.3509E+00 O6 2452 15.999400 -0.847600 -1.8442E+01 5.1865E+00 -2.8093E+00 H1 2453 1.008000 0.423800 -1.8851E+01 6.0059E+00 -2.4073E+00 H2 2454 1.008000 0.423800 -1.8106E+01 5.3976E+00 -3.7272E+00 O6 2455 15.999400 -0.847600 -8.4581E+00 6.9035E+00 -8.0656E+00 H1 2456 1.008000 0.423800 -9.1844E+00 7.5080E+00 -7.7384E+00 H2 2457 1.008000 0.423800 -7.8868E+00 7.3945E+00 -8.7233E+00 O6 2458 15.999400 -0.847600 -2.4803E+00 -1.5489E+01 8.8353E+00 H1 2459 1.008000 0.423800 -1.5974E+00 -1.5399E+01 9.2962E+00 H2 2460 1.008000 0.423800 -2.3318E+00 -1.5685E+01 7.8660E+00 O6 2461 15.999400 -0.847600 -4.8514E+00 6.4436E+00 -1.4419E+01 H1 2462 1.008000 0.423800 -4.9830E+00 7.2933E+00 -1.3908E+01 H2 2463 1.008000 0.423800 -3.8983E+00 6.3763E+00 -1.4714E+01 O6 2464 15.999400 -0.847600 1.9336E+01 1.2773E+01 -9.3335E+00 H1 2465 1.008000 0.423800 1.8778E+01 1.1966E+01 -9.1384E+00 H2 2466 1.008000 0.423800 1.8798E+01 1.3598E+01 -9.1629E+00 O6 2467 15.999400 -0.847600 -1.4514E+01 -1.7458E+01 -1.5097E+01 H1 2468 1.008000 0.423800 -1.4192E+01 -1.7294E+01 -1.4164E+01 H2 2469 1.008000 0.423800 -1.4093E+01 -1.8292E+01 -1.5453E+01 O6 2470 15.999400 -0.847600 1.6234E+01 4.8622E+00 2.4604E+00 H1 2471 1.008000 0.423800 1.7126E+01 4.9765E+00 2.0234E+00 H2 2472 1.008000 0.423800 1.6194E+01 5.4227E+00 3.2876E+00 O6 2473 15.999400 -0.847600 1.8273E+00 1.6763E+01 -5.6643E+00 H1 2474 1.008000 0.423800 2.0696E+00 1.7449E+01 -4.9775E+00 H2 2475 1.008000 0.423800 1.7420E+00 1.7203E+01 -6.5583E+00 O6 2476 15.999400 -0.847600 2.1147E+00 -2.9740E+00 -5.1505E+00 H1 2477 1.008000 0.423800 2.4433E+00 -3.9148E+00 -5.2334E+00 H2 2478 1.008000 0.423800 1.7546E+00 -2.8268E+00 -4.2293E+00 O6 2479 15.999400 -0.847600 -1.8951E+00 1.4100E+01 9.7792E+00 H1 2480 1.008000 0.423800 -9.5313E-01 1.3893E+01 1.0044E+01 H2 2481 1.008000 0.423800 -2.1820E+00 1.4956E+01 1.0209E+01 O6 2482 15.999400 -0.847600 -7.7196E+00 1.0805E+01 -8.9637E+00 H1 2483 1.008000 0.423800 -7.8981E+00 1.1787E+01 -8.9018E+00 H2 2484 1.008000 0.423800 -7.6321E+00 1.0542E+01 -9.9246E+00 O6 2485 15.999400 -0.847600 -1.9304E+01 1.2825E+01 1.8266E+01 H1 2486 1.008000 0.423800 -1.9076E+01 1.1938E+01 1.7863E+01 H2 2487 1.008000 0.423800 1.8807E+01 1.2875E+01 1.8424E+01 O6 2488 15.999400 -0.847600 -3.0258E+00 -4.6661E+00 -5.7954E+00 H1 2489 1.008000 0.423800 -3.6638E+00 -4.3681E+00 -6.5055E+00 H2 2490 1.008000 0.423800 -3.4996E+00 -5.2687E+00 -5.1533E+00 O6 2491 15.999400 -0.847600 -8.3917E+00 4.3424E+00 -9.1426E+00 H1 2492 1.008000 0.423800 -8.8943E+00 5.0196E+00 -8.6051E+00 H2 2493 1.008000 0.423800 -7.5215E+00 4.7338E+00 -9.4420E+00 O6 2494 15.999400 -0.847600 2.5869E+00 -1.2419E+01 -1.2232E+01 H1 2495 1.008000 0.423800 1.8730E+00 -1.3048E+01 -1.2541E+01 H2 2496 1.008000 0.423800 3.3821E+00 -1.2497E+01 -1.2833E+01 O6 2497 15.999400 -0.847600 -1.3583E+01 -8.6018E+00 1.6597E+01 H1 2498 1.008000 0.423800 -1.2610E+01 -8.7826E+00 1.6456E+01 H2 2499 1.008000 0.423800 -1.3694E+01 -7.9093E+00 1.7309E+01 O6 2500 15.999400 -0.847600 -3.2395E+00 5.0419E+00 8.3199E+00 H1 2501 1.008000 0.423800 -2.3875E+00 5.5304E+00 8.5083E+00 H2 2502 1.008000 0.423800 -4.0137E+00 5.6630E+00 8.4415E+00 O6 2503 15.999400 -0.847600 -3.0331E+00 -5.6450E+00 -1.3191E+01 H1 2504 1.008000 0.423800 -2.4067E+00 -5.2211E+00 -1.3845E+01 H2 2505 1.008000 0.423800 -3.0772E+00 -6.6294E+00 -1.3362E+01 O6 2506 15.999400 -0.847600 -5.2927E+00 2.7648E+00 2.5845E+00 H1 2507 1.008000 0.423800 -6.1601E+00 2.2671E+00 2.5815E+00 H2 2508 1.008000 0.423800 -4.7651E+00 2.5102E+00 3.3950E+00 O6 2509 15.999400 -0.847600 1.4170E+01 -4.9321E+00 1.5876E+01 H1 2510 1.008000 0.423800 1.4542E+01 -4.2161E+00 1.6467E+01 H2 2511 1.008000 0.423800 1.3175E+01 -4.9581E+00 1.5971E+01 O6 2512 15.999400 -0.847600 -5.6843E+00 1.7910E+01 1.6568E+01 H1 2513 1.008000 0.423800 -5.2384E+00 1.7174E+01 1.6057E+01 H2 2514 1.008000 0.423800 -6.6764E+00 1.7825E+01 1.6476E+01 O6 2515 15.999400 -0.847600 -1.3050E+00 -1.2284E+01 -4.6347E+00 H1 2516 1.008000 0.423800 -1.7755E+00 -1.1693E+01 -3.9795E+00 H2 2517 1.008000 0.423800 -3.3622E-01 -1.2038E+01 -4.6689E+00 O6 2518 15.999400 -0.847600 -1.9140E+01 -7.6075E+00 -1.0169E+01 H1 2519 1.008000 0.423800 -1.9509E+01 -8.5330E+00 -1.0087E+01 H2 2520 1.008000 0.423800 -1.8141E+01 -7.6429E+00 -1.0133E+01 O6 2521 15.999400 -0.847600 -1.2149E+01 -1.5759E+01 1.3905E+01 H1 2522 1.008000 0.423800 -1.2066E+01 -1.4925E+01 1.3358E+01 H2 2523 1.008000 0.423800 -1.1317E+01 -1.6305E+01 1.3808E+01 O6 2524 15.999400 -0.847600 -1.7010E+01 -1.3854E+00 -7.3570E+00 H1 2525 1.008000 0.423800 -1.7527E+01 -5.5842E-01 -7.1376E+00 H2 2526 1.008000 0.423800 -1.6181E+01 -1.4180E+00 -6.7982E+00 O6 2527 15.999400 -0.847600 -1.7454E+01 2.9541E+00 -6.2547E+00 H1 2528 1.008000 0.423800 -1.6482E+01 2.8986E+00 -6.0244E+00 H2 2529 1.008000 0.423800 -1.7827E+01 2.0312E+00 -6.3513E+00 O6 2530 15.999400 -0.847600 1.3145E+01 -8.0860E+00 -7.1935E+00 H1 2531 1.008000 0.423800 1.3135E+01 -7.2728E+00 -7.7754E+00 H2 2532 1.008000 0.423800 1.4089E+01 -8.3164E+00 -6.9581E+00 O6 2533 15.999400 -0.847600 -1.9770E+00 1.6581E+01 1.6631E+01 H1 2534 1.008000 0.423800 -1.9595E+00 1.5784E+01 1.7234E+01 H2 2535 1.008000 0.423800 -2.4503E+00 1.6346E+01 1.5782E+01 O6 2536 15.999400 -0.847600 -1.9941E+00 4.2063E+00 1.8552E+01 H1 2537 1.008000 0.423800 -1.0889E+00 3.8744E+00 1.8817E+01 H2 2538 1.008000 0.423800 -2.4804E+00 3.4872E+00 1.8055E+01 O6 2539 15.999400 -0.847600 1.4084E+01 9.2607E+00 9.2128E+00 H1 2540 1.008000 0.423800 1.4328E+01 1.0141E+01 8.8053E+00 H2 2541 1.008000 0.423800 1.4907E+01 8.7039E+00 9.3225E+00 O6 2542 15.999400 -0.847600 -1.7342E+01 7.9025E+00 2.5579E+00 H1 2543 1.008000 0.423800 -1.8219E+01 7.5560E+00 2.2255E+00 H2 2544 1.008000 0.423800 -1.6777E+01 8.1786E+00 1.7806E+00 O6 2545 15.999400 -0.847600 -4.2984E+00 -1.0529E+01 -1.0366E+01 H1 2546 1.008000 0.423800 -3.6211E+00 -9.7976E+00 -1.0446E+01 H2 2547 1.008000 0.423800 -5.1204E+00 -1.0175E+01 -9.9202E+00 O6 2548 15.999400 -0.847600 -1.0775E+01 1.8496E+01 -5.2394E+00 H1 2549 1.008000 0.423800 -1.0702E+01 1.7517E+01 -5.4284E+00 H2 2550 1.008000 0.423800 -9.8676E+00 1.8865E+01 -5.0397E+00 O6 2551 15.999400 -0.847600 5.6345E+00 -8.3996E+00 9.7393E+00 H1 2552 1.008000 0.423800 5.6233E+00 -7.8366E+00 1.0566E+01 H2 2553 1.008000 0.423800 6.4581E+00 -8.9667E+00 9.7335E+00 O6 2554 15.999400 -0.847600 6.2199E-01 -6.2177E+00 1.0662E+00 H1 2555 1.008000 0.423800 7.9794E-01 -5.9930E+00 2.0246E+00 H2 2556 1.008000 0.423800 1.4890E+00 -6.3970E+00 6.0133E-01 O6 2557 15.999400 -0.847600 -1.6935E+01 -1.7375E+01 -1.1388E+01 H1 2558 1.008000 0.423800 -1.6689E+01 -1.8097E+01 -1.2035E+01 H2 2559 1.008000 0.423800 -1.7154E+01 -1.6538E+01 -1.1889E+01 O6 2560 15.999400 -0.847600 5.8335E+00 -1.8816E+01 -5.7201E+00 H1 2561 1.008000 0.423800 5.2651E+00 -1.9393E+01 -6.3066E+00 H2 2562 1.008000 0.423800 5.3020E+00 -1.8026E+01 -5.4137E+00 O6 2563 15.999400 -0.847600 -5.9948E+00 -1.8595E+01 1.2323E+01 H1 2564 1.008000 0.423800 -5.2231E+00 -1.9171E+01 1.2054E+01 H2 2565 1.008000 0.423800 -5.9645E+00 -1.7736E+01 1.1811E+01 O6 2566 15.999400 -0.847600 8.9891E+00 -7.0238E+00 -9.5674E-03 H1 2567 1.008000 0.423800 8.9662E+00 -6.3513E+00 7.3027E-01 H2 2568 1.008000 0.423800 8.7525E+00 -7.9255E+00 3.5222E-01 O6 2569 15.999400 -0.847600 3.4283E+00 1.2602E+01 -5.5203E+00 H1 2570 1.008000 0.423800 3.2621E+00 1.3290E+01 -4.8141E+00 H2 2571 1.008000 0.423800 4.3066E+00 1.2155E+01 -5.3501E+00 O6 2572 15.999400 -0.847600 3.7559E+00 -1.5182E+01 7.9799E+00 H1 2573 1.008000 0.423800 3.3434E+00 -1.5513E+01 8.8285E+00 H2 2574 1.008000 0.423800 4.1243E+00 -1.4264E+01 8.1250E+00 O6 2575 15.999400 -0.847600 -1.9042E+01 1.3215E+00 4.3704E+00 H1 2576 1.008000 0.423800 -1.9044E+01 9.6619E-01 3.4356E+00 H2 2577 1.008000 0.423800 1.9295E+01 9.2067E-01 4.8811E+00 O6 2578 15.999400 -0.847600 -1.0253E+01 1.0720E+01 1.6687E+01 H1 2579 1.008000 0.423800 -1.0582E+01 1.1284E+01 1.5929E+01 H2 2580 1.008000 0.423800 -9.4461E+00 1.1148E+01 1.7094E+01 O6 2581 15.999400 -0.847600 1.8018E+01 8.4412E+00 1.2951E+01 H1 2582 1.008000 0.423800 1.8285E+01 7.8297E+00 1.3695E+01 H2 2583 1.008000 0.423800 1.8791E+01 8.5672E+00 1.2329E+01 O6 2584 15.999400 -0.847600 -1.7401E+01 8.5429E-01 -1.8685E+01 H1 2585 1.008000 0.423800 -1.6524E+01 1.3340E+00 -1.8664E+01 H2 2586 1.008000 0.423800 -1.8122E+01 1.4631E+00 -1.8353E+01 O6 2587 15.999400 -0.847600 1.0980E+01 -1.6607E+00 1.7035E+01 H1 2588 1.008000 0.423800 1.0633E+01 -1.4268E+00 1.6127E+01 H2 2589 1.008000 0.423800 1.1959E+01 -1.8578E+00 1.6977E+01 O6 2590 15.999400 -0.847600 -8.0979E+00 1.0235E+01 -1.4229E+01 H1 2591 1.008000 0.423800 -8.2529E+00 1.0801E+01 -1.5039E+01 H2 2592 1.008000 0.423800 -8.0718E+00 9.2714E+00 -1.4496E+01 O6 2593 15.999400 -0.847600 -7.1311E+00 3.9301E+00 1.2488E+01 H1 2594 1.008000 0.423800 -6.1898E+00 4.1848E+00 1.2709E+01 H2 2595 1.008000 0.423800 -7.1271E+00 3.2196E+00 1.1784E+01 O6 2596 15.999400 -0.847600 -4.7575E-01 2.7629E+00 7.2896E+00 H1 2597 1.008000 0.423800 -8.2214E-01 2.2462E+00 8.0726E+00 H2 2598 1.008000 0.423800 -7.9497E-01 3.7088E+00 7.3469E+00 O6 2599 15.999400 -0.847600 1.4081E+01 5.9855E+00 -3.3128E+00 H1 2600 1.008000 0.423800 1.3937E+01 6.9722E+00 -3.2373E+00 H2 2601 1.008000 0.423800 1.4990E+01 5.7540E+00 -2.9678E+00 O6 2602 15.999400 -0.847600 -7.3084E-01 1.9278E+01 1.4875E+01 H1 2603 1.008000 0.423800 1.8918E-01 1.9363E+01 1.5257E+01 H2 2604 1.008000 0.423800 -1.3281E+00 -1.9132E+01 1.5287E+01 O6 2605 15.999400 -0.847600 -1.8170E+01 1.7365E+01 -1.1258E+01 H1 2606 1.008000 0.423800 -1.7612E+01 1.6563E+01 -1.1469E+01 H2 2607 1.008000 0.423800 -1.8220E+01 1.7486E+01 -1.0267E+01 O6 2608 15.999400 -0.847600 -1.2902E+01 4.6804E+00 9.8797E+00 H1 2609 1.008000 0.423800 -1.3855E+01 4.6782E+00 1.0184E+01 H2 2610 1.008000 0.423800 -1.2863E+01 4.9109E+00 8.9074E+00 O6 2611 15.999400 -0.847600 3.3636E+00 1.4736E+01 -3.8859E+00 H1 2612 1.008000 0.423800 3.3500E+00 1.4818E+01 -2.8893E+00 H2 2613 1.008000 0.423800 2.7199E+00 1.5390E+01 -4.2830E+00 O6 2614 15.999400 -0.847600 5.7709E+00 -9.1146E+00 1.6863E+01 H1 2615 1.008000 0.423800 5.2653E+00 -9.5490E+00 1.7608E+01 H2 2616 1.008000 0.423800 5.9426E+00 -9.7853E+00 1.6141E+01 O6 2617 15.999400 -0.847600 -9.4711E-02 1.4563E+01 -4.3594E+00 H1 2618 1.008000 0.423800 -3.0696E-01 1.3773E+01 -4.9352E+00 H2 2619 1.008000 0.423800 1.9025E-02 1.5373E+01 -4.9339E+00 O6 2620 15.999400 -0.847600 2.6116E+00 1.3783E+01 6.0008E+00 H1 2621 1.008000 0.423800 2.0282E+00 1.3185E+01 6.5495E+00 H2 2622 1.008000 0.423800 2.3237E+00 1.3744E+01 5.0440E+00 O6 2623 15.999400 -0.847600 8.6063E+00 -1.7760E+01 -7.0248E-01 H1 2624 1.008000 0.423800 8.7622E+00 -1.7803E+01 -1.6894E+00 H2 2625 1.008000 0.423800 9.1262E+00 -1.8486E+01 -2.5144E-01 O6 2626 15.999400 -0.847600 4.2523E-01 1.5533E+01 -1.5077E+01 H1 2627 1.008000 0.423800 9.5321E-01 1.4683E+01 -1.5071E+01 H2 2628 1.008000 0.423800 -3.4374E-01 1.5451E+01 -1.4443E+01 O6 2629 15.999400 -0.847600 -1.7207E+01 -7.9091E+00 -1.3659E+01 H1 2630 1.008000 0.423800 -1.8045E+01 -7.4566E+00 -1.3354E+01 H2 2631 1.008000 0.423800 -1.7314E+01 -8.8999E+00 -1.3577E+01 O6 2632 15.999400 -0.847600 -8.2685E+00 -1.4382E+00 1.1573E+01 H1 2633 1.008000 0.423800 -9.2206E+00 -1.6896E+00 1.1399E+01 H2 2634 1.008000 0.423800 -7.9622E+00 -7.9048E-01 1.0876E+01 O6 2635 15.999400 -0.847600 9.9064E+00 1.7517E+01 -3.7838E+00 H1 2636 1.008000 0.423800 1.0310E+01 1.6899E+01 -4.4590E+00 H2 2637 1.008000 0.423800 9.2428E+00 1.8114E+01 -4.2334E+00 O6 2638 15.999400 -0.847600 -3.5954E-01 1.6767E+01 -1.0002E+01 H1 2639 1.008000 0.423800 -9.5108E-01 1.6224E+01 -9.4052E+00 H2 2640 1.008000 0.423800 -8.9058E-01 1.7508E+01 -1.0413E+01 O6 2641 15.999400 -0.847600 5.3861E+00 8.0784E+00 6.1845E+00 H1 2642 1.008000 0.423800 4.5589E+00 7.8815E+00 6.7108E+00 H2 2643 1.008000 0.423800 5.1737E+00 8.7388E+00 5.4644E+00 O6 2644 15.999400 -0.847600 -1.4637E+00 -1.5045E+01 -1.4349E+01 H1 2645 1.008000 0.423800 -9.6556E-01 -1.5855E+01 -1.4660E+01 H2 2646 1.008000 0.423800 -1.8947E+00 -1.4598E+01 -1.5133E+01 O6 2647 15.999400 -0.847600 -1.6424E+01 6.5242E+00 -1.1971E+01 H1 2648 1.008000 0.423800 -1.5780E+01 7.1677E+00 -1.2385E+01 H2 2649 1.008000 0.423800 -1.6813E+01 5.9384E+00 -1.2682E+01 O6 2650 15.999400 -0.847600 -5.3798E+00 1.1424E+01 1.3835E+01 H1 2651 1.008000 0.423800 -4.9204E+00 1.0559E+01 1.3634E+01 H2 2652 1.008000 0.423800 -5.8645E+00 1.1741E+01 1.3020E+01 O6 2653 15.999400 -0.847600 -1.3652E+01 -1.5096E-01 -1.8499E+01 H1 2654 1.008000 0.423800 -1.4028E+01 -9.6652E-01 -1.8059E+01 H2 2655 1.008000 0.423800 -1.4303E+01 6.0339E-01 -1.8415E+01 O6 2656 15.999400 -0.847600 -1.1953E+01 7.0882E+00 4.7380E+00 H1 2657 1.008000 0.423800 -1.1481E+01 6.2072E+00 4.7650E+00 H2 2658 1.008000 0.423800 -1.2793E+01 6.9997E+00 4.2022E+00 O6 2659 15.999400 -0.847600 1.3148E+01 1.4269E+01 -1.0891E+01 H1 2660 1.008000 0.423800 1.4046E+01 1.4142E+01 -1.1311E+01 H2 2661 1.008000 0.423800 1.3262E+01 1.4543E+01 -9.9363E+00 O6 2662 15.999400 -0.847600 1.7985E+01 1.0060E+01 1.5447E+01 H1 2663 1.008000 0.423800 1.7079E+01 9.8279E+00 1.5094E+01 H2 2664 1.008000 0.423800 1.8001E+01 1.1023E+01 1.5718E+01 O6 2665 15.999400 -0.847600 -1.4457E+00 4.6213E+00 -1.4428E+01 H1 2666 1.008000 0.423800 -6.8235E-01 4.9676E+00 -1.3883E+01 H2 2667 1.008000 0.423800 -1.7342E+00 5.3221E+00 -1.5080E+01 O6 2668 15.999400 -0.847600 -1.2911E+01 1.1552E+01 -1.8924E+01 H1 2669 1.008000 0.423800 -1.3596E+01 1.1229E+01 -1.8272E+01 H2 2670 1.008000 0.423800 -1.2990E+01 1.1032E+01 1.9323E+01 O6 2671 15.999400 -0.847600 1.5536E+01 9.8322E+00 1.3086E+01 H1 2672 1.008000 0.423800 1.6268E+01 9.1911E+00 1.2854E+01 H2 2673 1.008000 0.423800 1.4728E+01 9.6307E+00 1.2533E+01 O6 2674 15.999400 -0.847600 -9.2041E+00 -8.7113E+00 -8.8013E+00 H1 2675 1.008000 0.423800 -1.0040E+01 -8.7350E+00 -8.2532E+00 H2 2676 1.008000 0.423800 -8.4086E+00 -8.7000E+00 -8.1954E+00 O6 2677 15.999400 -0.847600 4.7133E+00 2.4696E+00 -1.0067E+01 H1 2678 1.008000 0.423800 4.2399E+00 3.1014E+00 -9.4528E+00 H2 2679 1.008000 0.423800 5.4195E+00 1.9771E+00 -9.5579E+00 O6 2680 15.999400 -0.847600 -1.1213E+01 -7.8876E+00 7.2845E+00 H1 2681 1.008000 0.423800 -1.0806E+01 -7.9581E+00 6.3741E+00 H2 2682 1.008000 0.423800 -1.2188E+01 -7.6801E+00 7.1981E+00 O6 2683 15.999400 -0.847600 7.1124E+00 2.7465E+00 1.9096E+01 H1 2684 1.008000 0.423800 6.7214E+00 3.3014E+00 1.8362E+01 H2 2685 1.008000 0.423800 7.9677E+00 3.1608E+00 1.9408E+01 O6 2686 15.999400 -0.847600 -2.4216E+00 1.4489E+01 -1.5977E+01 H1 2687 1.008000 0.423800 -2.0541E+00 1.4693E+01 -1.5070E+01 H2 2688 1.008000 0.423800 -3.4205E+00 1.4468E+01 -1.5936E+01 O6 2689 15.999400 -0.847600 -1.5588E+01 -1.8312E+01 -2.3989E+00 H1 2690 1.008000 0.423800 -1.4924E+01 -1.7720E+01 -1.9431E+00 H2 2691 1.008000 0.423800 -1.6422E+01 -1.8364E+01 -1.8490E+00 O6 2692 15.999400 -0.847600 1.2872E+01 -1.1818E+01 2.7981E+00 H1 2693 1.008000 0.423800 1.2561E+01 -1.2385E+01 3.5603E+00 H2 2694 1.008000 0.423800 1.2133E+01 -1.1720E+01 2.1314E+00 O6 2695 15.999400 -0.847600 3.3385E+00 -1.2637E+01 -7.6306E-01 H1 2696 1.008000 0.423800 4.1992E+00 -1.3028E+01 -4.3746E-01 H2 2697 1.008000 0.423800 3.3983E+00 -1.1639E+01 -7.4481E-01 O6 2698 15.999400 -0.847600 -8.2130E+00 -1.0284E+01 -1.9351E+01 H1 2699 1.008000 0.423800 -7.7834E+00 -1.0237E+01 -1.8449E+01 H2 2700 1.008000 0.423800 -8.7462E+00 -9.4527E+00 -1.9509E+01 O6 2701 15.999400 -0.847600 6.2865E+00 -1.9049E+01 -6.6704E-01 H1 2702 1.008000 0.423800 6.3249E+00 1.9200E+01 -1.3808E-01 H2 2703 1.008000 0.423800 7.1447E+00 -1.8548E+01 -5.5624E-01 O6 2704 15.999400 -0.847600 1.0298E+01 -1.4915E+01 -2.3028E+00 H1 2705 1.008000 0.423800 1.1129E+01 -1.5077E+01 -1.7696E+00 H2 2706 1.008000 0.423800 9.8043E+00 -1.4134E+01 -1.9218E+00 O6 2707 15.999400 -0.847600 -1.2132E+01 -4.5409E+00 -1.3927E+01 H1 2708 1.008000 0.423800 -1.1717E+01 -3.8102E+00 -1.4470E+01 H2 2709 1.008000 0.423800 -1.2037E+01 -4.3290E+00 -1.2955E+01 O6 2710 15.999400 -0.847600 -4.7902E+00 -1.9005E+01 1.7468E+01 H1 2711 1.008000 0.423800 -5.4035E+00 -1.8217E+01 1.7409E+01 H2 2712 1.008000 0.423800 -5.2384E+00 1.9291E+01 1.7072E+01 O6 2713 15.999400 -0.847600 -1.3693E+01 8.1300E+00 -1.2406E+01 H1 2714 1.008000 0.423800 -1.2749E+01 8.1911E+00 -1.2730E+01 H2 2715 1.008000 0.423800 -1.3843E+01 8.8078E+00 -1.1687E+01 O6 2716 15.999400 -0.847600 1.0060E+01 1.9358E+01 3.9419E-01 H1 2717 1.008000 0.423800 1.1035E+01 1.9385E+01 1.7116E-01 H2 2718 1.008000 0.423800 9.8919E+00 1.8635E+01 1.0642E+00 O6 2719 15.999400 -0.847600 -1.9775E+00 -7.1311E-01 -7.2867E+00 H1 2720 1.008000 0.423800 -1.8771E+00 2.7757E-01 -7.3790E+00 H2 2721 1.008000 0.423800 -1.3061E+00 -1.0564E+00 -6.6299E+00 O6 2722 15.999400 -0.847600 1.9086E+01 -8.2867E+00 -1.5308E+01 H1 2723 1.008000 0.423800 1.9194E+01 -7.8406E+00 -1.4419E+01 H2 2724 1.008000 0.423800 1.9447E+01 -9.2181E+00 -1.5259E+01 O6 2725 15.999400 -0.847600 1.0944E+01 4.5046E-01 -1.3743E+01 H1 2726 1.008000 0.423800 1.1170E+01 1.5535E-02 -1.2871E+01 H2 2727 1.008000 0.423800 1.0755E+01 1.4207E+00 -1.3592E+01 O6 2728 15.999400 -0.847600 -1.3128E+01 -2.0212E+00 1.5868E+00 H1 2729 1.008000 0.423800 -1.2211E+01 -1.6227E+00 1.5949E+00 H2 2730 1.008000 0.423800 -1.3516E+01 -1.9458E+00 6.6816E-01 O6 2731 15.999400 -0.847600 5.9005E+00 -1.8882E+01 -1.2684E+01 H1 2732 1.008000 0.423800 5.5221E+00 -1.9525E+01 -1.2019E+01 H2 2733 1.008000 0.423800 6.5859E+00 -1.8306E+01 -1.2239E+01 O6 2734 15.999400 -0.847600 -1.5442E+00 2.8691E-01 -1.0174E+01 H1 2735 1.008000 0.423800 -7.6886E-01 -2.8985E-01 -9.9170E+00 H2 2736 1.008000 0.423800 -1.7679E+00 1.3473E-01 -1.1137E+01 O6 2737 15.999400 -0.847600 1.3206E+01 -1.4670E+01 -7.9236E+00 H1 2738 1.008000 0.423800 1.3882E+01 -1.3997E+01 -8.2215E+00 H2 2739 1.008000 0.423800 1.3114E+01 -1.4633E+01 -6.9285E+00 O6 2740 15.999400 -0.847600 3.4498E+00 -1.6955E+01 1.0212E+01 H1 2741 1.008000 0.423800 4.3395E+00 -1.7344E+01 1.0452E+01 H2 2742 1.008000 0.423800 2.9446E+00 -1.6740E+01 1.1048E+01 O6 2743 15.999400 -0.847600 3.2792E-01 1.3622E+01 -1.7662E+01 H1 2744 1.008000 0.423800 1.0527E+00 1.3456E+01 -1.6994E+01 H2 2745 1.008000 0.423800 -4.8952E-01 1.3955E+01 -1.7192E+01 O6 2746 15.999400 -0.847600 4.5089E+00 1.9112E+01 -1.0691E+01 H1 2747 1.008000 0.423800 5.1278E+00 1.8333E+01 -1.0588E+01 H2 2748 1.008000 0.423800 3.6247E+00 1.8792E+01 -1.1031E+01 O6 2749 15.999400 -0.847600 -9.2029E-01 1.0320E+01 5.7693E+00 H1 2750 1.008000 0.423800 -1.7328E+00 9.7558E+00 5.9167E+00 H2 2751 1.008000 0.423800 -1.1972E+00 1.1226E+01 5.4512E+00 O6 2752 15.999400 -0.847600 -5.8400E-01 5.6922E+00 9.0111E+00 H1 2753 1.008000 0.423800 3.2915E-01 5.2874E+00 8.9621E+00 H2 2754 1.008000 0.423800 -5.0564E-01 6.6673E+00 9.2185E+00 O6 2755 15.999400 -0.847600 6.3291E+00 1.0038E+01 -7.5983E+00 H1 2756 1.008000 0.423800 6.1374E+00 9.0644E+00 -7.7238E+00 H2 2757 1.008000 0.423800 7.3164E+00 1.0175E+01 -7.5177E+00 O6 2758 15.999400 -0.847600 -1.4615E+01 -1.6933E+00 -1.5996E+01 H1 2759 1.008000 0.423800 -1.5415E+01 -1.5822E+00 -1.6586E+01 H2 2760 1.008000 0.423800 -1.4802E+01 -2.3976E+00 -1.5311E+01 O6 2761 15.999400 -0.847600 1.1285E+01 5.1655E-01 -2.2257E+00 H1 2762 1.008000 0.423800 1.1689E+01 6.5849E-01 -3.1293E+00 H2 2763 1.008000 0.423800 1.0300E+01 3.7002E-01 -2.3205E+00 O6 2764 15.999400 -0.847600 1.3714E+01 1.6423E+01 1.9110E+01 H1 2765 1.008000 0.423800 1.4547E+01 1.6656E+01 1.8609E+01 H2 2766 1.008000 0.423800 1.3949E+01 1.6172E+01 -1.9049E+01 O6 2767 15.999400 -0.847600 -7.7765E+00 1.4095E+00 -1.0644E+01 H1 2768 1.008000 0.423800 -7.7097E+00 4.9830E-01 -1.1051E+01 H2 2769 1.008000 0.423800 -7.4122E+00 1.3865E+00 -9.7133E+00 O6 2770 15.999400 -0.847600 4.8316E+00 2.3341E+00 2.7925E+00 H1 2771 1.008000 0.423800 5.2557E+00 2.7609E+00 1.9937E+00 H2 2772 1.008000 0.423800 5.4585E+00 2.3853E+00 3.5699E+00 O6 2773 15.999400 -0.847600 -8.5277E+00 8.4904E+00 1.2206E+01 H1 2774 1.008000 0.423800 -8.2229E+00 7.7267E+00 1.1637E+01 H2 2775 1.008000 0.423800 -8.0854E+00 8.4362E+00 1.3101E+01 O6 2776 15.999400 -0.847600 -1.5964E+01 -9.6867E+00 -4.4560E+00 H1 2777 1.008000 0.423800 -1.6261E+01 -8.7971E+00 -4.8035E+00 H2 2778 1.008000 0.423800 -1.6654E+01 -1.0045E+01 -3.8269E+00 O6 2779 15.999400 -0.847600 8.4777E+00 -9.2243E+00 1.0900E+01 H1 2780 1.008000 0.423800 9.0985E+00 -8.7661E+00 1.1536E+01 H2 2781 1.008000 0.423800 7.8048E+00 -9.7552E+00 1.1415E+01 O6 2782 15.999400 -0.847600 1.8281E+01 -1.4712E+01 8.8460E+00 H1 2783 1.008000 0.423800 1.8384E+01 -1.4160E+01 8.0187E+00 H2 2784 1.008000 0.423800 1.8317E+01 -1.5682E+01 8.6059E+00 O6 2785 15.999400 -0.847600 5.4990E+00 1.2444E+01 1.1809E+01 H1 2786 1.008000 0.423800 5.9810E+00 1.1844E+01 1.1171E+01 H2 2787 1.008000 0.423800 5.8735E+00 1.3369E+01 1.1744E+01 O6 2788 15.999400 -0.847600 7.7219E+00 1.0395E+01 4.6130E+00 H1 2789 1.008000 0.423800 8.1223E+00 9.9444E+00 5.4110E+00 H2 2790 1.008000 0.423800 8.4293E+00 1.0914E+01 4.1335E+00 O6 2791 15.999400 -0.847600 -7.1716E+00 1.7089E+01 6.0113E+00 H1 2792 1.008000 0.423800 -6.1988E+00 1.7315E+01 6.0637E+00 H2 2793 1.008000 0.423800 -7.2829E+00 1.6190E+01 5.5894E+00 O6 2794 15.999400 -0.847600 5.2944E+00 6.9858E+00 -1.1129E+01 H1 2795 1.008000 0.423800 6.0567E+00 6.3733E+00 -1.1338E+01 H2 2796 1.008000 0.423800 4.4348E+00 6.4774E+00 -1.1179E+01 O6 2797 15.999400 -0.847600 -9.3044E-01 1.1058E+01 -8.2772E+00 H1 2798 1.008000 0.423800 -1.4155E-01 1.1623E+01 -8.5188E+00 H2 2799 1.008000 0.423800 -1.7626E+00 1.1472E+01 -8.6453E+00 O6 2800 15.999400 -0.847600 -7.6213E-01 -2.4470E+00 1.8663E+01 H1 2801 1.008000 0.423800 -1.9714E-01 -2.1204E+00 1.7905E+01 H2 2802 1.008000 0.423800 -7.0590E-01 -1.8001E+00 1.9423E+01 O6 2803 15.999400 -0.847600 1.1949E+01 3.2051E+00 2.5535E+00 H1 2804 1.008000 0.423800 1.1466E+01 3.7397E+00 3.2468E+00 H2 2805 1.008000 0.423800 1.1678E+01 3.5172E+00 1.6431E+00 O6 2806 15.999400 -0.847600 4.5122E+00 6.2323E+00 -4.6825E+00 H1 2807 1.008000 0.423800 5.4869E+00 6.1190E+00 -4.8753E+00 H2 2808 1.008000 0.423800 4.3099E+00 5.8792E+00 -3.7691E+00 O6 2809 15.999400 -0.847600 -1.1693E+01 -2.4567E-02 1.8650E+01 H1 2810 1.008000 0.423800 -1.2257E+01 -3.2352E-01 1.9419E+01 H2 2811 1.008000 0.423800 -1.1937E+01 9.1266E-01 1.8401E+01 O6 2812 15.999400 -0.847600 -1.8466E+01 -4.3495E+00 -2.5336E-02 H1 2813 1.008000 0.423800 -1.8397E+01 -5.0721E+00 6.6255E-01 H2 2814 1.008000 0.423800 -1.8111E+01 -4.6848E+00 -8.9775E-01 O6 2815 15.999400 -0.847600 -1.6474E+01 1.4280E+01 -1.7141E+01 H1 2816 1.008000 0.423800 -1.7246E+01 1.3892E+01 -1.7644E+01 H2 2817 1.008000 0.423800 -1.6491E+01 1.3948E+01 -1.6197E+01 O6 2818 15.999400 -0.847600 1.1848E+01 8.7058E+00 6.5723E+00 H1 2819 1.008000 0.423800 1.2838E+01 8.5817E+00 6.4968E+00 H2 2820 1.008000 0.423800 1.1628E+01 9.0865E+00 7.4703E+00 O6 2821 15.999400 -0.847600 1.1672E+01 1.0525E+01 -2.4043E+00 H1 2822 1.008000 0.423800 1.1543E+01 9.8797E+00 -1.6510E+00 H2 2823 1.008000 0.423800 1.0869E+01 1.1117E+01 -2.4771E+00 O6 2824 15.999400 -0.847600 3.8941E-01 -7.1630E-01 -5.8431E+00 H1 2825 1.008000 0.423800 5.9245E-01 -3.1347E-01 -4.9506E+00 H2 2826 1.008000 0.423800 1.2320E+00 -7.8460E-01 -6.3773E+00 O6 2827 15.999400 -0.847600 3.6678E+00 -1.7385E+01 1.8011E+01 H1 2828 1.008000 0.423800 4.1523E+00 -1.8128E+01 1.8472E+01 H2 2829 1.008000 0.423800 4.1927E+00 -1.6539E+01 1.8101E+01 O6 2830 15.999400 -0.847600 -1.4150E+01 6.6745E+00 2.8301E+00 H1 2831 1.008000 0.423800 -1.4060E+01 6.0003E+00 2.0970E+00 H2 2832 1.008000 0.423800 -1.3916E+01 7.5812E+00 2.4793E+00 O6 2833 15.999400 -0.847600 -1.2513E+01 9.5288E+00 -1.7845E+00 H1 2834 1.008000 0.423800 -1.2427E+01 1.0220E+01 -1.0667E+00 H2 2835 1.008000 0.423800 -1.3461E+01 9.2142E+00 -1.8326E+00 O6 2836 15.999400 -0.847600 1.1039E+01 -1.9302E+01 1.1476E+01 H1 2837 1.008000 0.423800 1.1716E+01 -1.8810E+01 1.2022E+01 H2 2838 1.008000 0.423800 1.0126E+01 -1.9139E+01 1.1851E+01 O6 2839 15.999400 -0.847600 -1.7977E+01 -1.1654E+01 1.5019E+01 H1 2840 1.008000 0.423800 -1.8303E+01 -1.2581E+01 1.5202E+01 H2 2841 1.008000 0.423800 -1.7626E+01 -1.1251E+01 1.5864E+01 O6 2842 15.999400 -0.847600 7.9043E+00 3.0144E+00 4.6994E-01 H1 2843 1.008000 0.423800 8.3194E+00 2.4022E+00 1.1429E+00 H2 2844 1.008000 0.423800 7.0887E+00 2.5825E+00 8.4927E-02 O6 2845 15.999400 -0.847600 1.8047E+01 8.1690E+00 -5.1130E+00 H1 2846 1.008000 0.423800 1.8926E+01 8.2073E+00 -5.5870E+00 H2 2847 1.008000 0.423800 1.7450E+01 7.5110E+00 -5.5716E+00 O6 2848 15.999400 -0.847600 -1.5690E+01 9.7066E+00 1.4850E+01 H1 2849 1.008000 0.423800 -1.4693E+01 9.7091E+00 1.4926E+01 H2 2850 1.008000 0.423800 -1.5971E+01 1.0341E+01 1.4129E+01 O6 2851 15.999400 -0.847600 1.9512E+01 -6.8248E+00 -1.2830E+01 H1 2852 1.008000 0.423800 1.9137E+01 -7.0634E+00 -1.1934E+01 H2 2853 1.008000 0.423800 -1.9303E+01 -5.8656E+00 -1.2828E+01 O6 2854 15.999400 -0.847600 -1.7051E+00 1.0342E+01 -3.5648E-01 H1 2855 1.008000 0.423800 -7.0801E-01 1.0276E+01 -3.1669E-01 H2 2856 1.008000 0.423800 -2.0251E+00 1.0019E+01 -1.2474E+00 O6 2857 15.999400 -0.847600 4.4037E+00 -1.1196E+01 2.1076E+00 H1 2858 1.008000 0.423800 5.1845E+00 -1.1783E+01 1.8943E+00 H2 2859 1.008000 0.423800 3.5711E+00 -1.1748E+01 2.1435E+00 O6 2860 15.999400 -0.847600 -2.5737E+00 -9.6451E+00 1.5269E+01 H1 2861 1.008000 0.423800 -3.0125E+00 -9.9436E+00 1.4421E+01 H2 2862 1.008000 0.423800 -3.1868E+00 -9.8167E+00 1.6040E+01 O6 2863 15.999400 -0.847600 1.2087E+01 -1.0041E+01 1.2589E+01 H1 2864 1.008000 0.423800 1.1451E+01 -9.3066E+00 1.2352E+01 H2 2865 1.008000 0.423800 1.1750E+01 -1.0525E+01 1.3397E+01 O6 2866 15.999400 -0.847600 1.1163E+01 -3.5154E+00 -3.2183E+00 H1 2867 1.008000 0.423800 1.1836E+01 -3.8431E+00 -2.5551E+00 H2 2868 1.008000 0.423800 1.0381E+01 -3.1240E+00 -2.7336E+00 O6 2869 15.999400 -0.847600 -1.2006E+01 -1.4869E+01 6.7379E-01 H1 2870 1.008000 0.423800 -1.1735E+01 -1.4031E+01 2.0022E-01 H2 2871 1.008000 0.423800 -1.2494E+01 -1.4634E+01 1.5139E+00 O6 2872 15.999400 -0.847600 1.0674E+01 4.0858E+00 -2.1568E+00 H1 2873 1.008000 0.423800 9.6846E+00 3.9407E+00 -2.1263E+00 H2 2874 1.008000 0.423800 1.1026E+01 3.7918E+00 -3.0451E+00 O6 2875 15.999400 -0.847600 1.0427E+01 1.9525E+01 1.7642E+01 H1 2876 1.008000 0.423800 9.5494E+00 1.9061E+01 1.7764E+01 H2 2877 1.008000 0.423800 1.1088E+01 1.8887E+01 1.7246E+01 O6 2878 15.999400 -0.847600 -3.2902E+00 -2.2220E+00 -1.1474E+01 H1 2879 1.008000 0.423800 -3.0533E+00 -1.4210E+00 -1.2024E+01 H2 2880 1.008000 0.423800 -3.3518E+00 -1.9591E+00 -1.0511E+01 O6 2881 15.999400 -0.847600 -9.8052E+00 -3.3080E+00 1.9565E+00 H1 2882 1.008000 0.423800 -1.0454E+01 -4.0281E+00 1.7096E+00 H2 2883 1.008000 0.423800 -9.1194E+00 -3.6779E+00 2.5832E+00 O6 2884 15.999400 -0.847600 -1.3354E+01 7.1434E+00 1.7424E+01 H1 2885 1.008000 0.423800 -1.2461E+01 7.2297E+00 1.6982E+01 H2 2886 1.008000 0.423800 -1.3417E+01 6.2547E+00 1.7878E+01 O6 2887 15.999400 -0.847600 -3.0472E+00 4.8075E+00 -1.1948E+01 H1 2888 1.008000 0.423800 -2.6587E+00 4.5212E+00 -1.2824E+01 H2 2889 1.008000 0.423800 -3.5162E+00 4.0337E+00 -1.1522E+01 O6 2890 15.999400 -0.847600 8.9970E+00 1.0090E+01 -4.9904E+00 H1 2891 1.008000 0.423800 8.2000E+00 9.7107E+00 -4.5202E+00 H2 2892 1.008000 0.423800 9.4030E+00 1.0811E+01 -4.4293E+00 O6 2893 15.999400 -0.847600 -1.9530E+00 -1.3866E+01 1.5149E+01 H1 2894 1.008000 0.423800 -1.8978E+00 -1.3100E+01 1.4508E+01 H2 2895 1.008000 0.423800 -2.6383E+00 -1.4520E+01 1.4830E+01 O6 2896 15.999400 -0.847600 -1.3835E+01 1.7501E+01 2.5283E+00 H1 2897 1.008000 0.423800 -1.4376E+01 1.8341E+01 2.4956E+00 H2 2898 1.008000 0.423800 -1.4435E+01 1.6727E+01 2.7345E+00 O6 2899 15.999400 -0.847600 -3.7335E+00 -1.5837E+01 1.4134E+01 H1 2900 1.008000 0.423800 -4.6063E+00 -1.5393E+01 1.3930E+01 H2 2901 1.008000 0.423800 -3.2906E+00 -1.6109E+01 1.3280E+01 O6 2902 15.999400 -0.847600 -1.1544E+01 -8.7649E+00 -7.2416E+00 H1 2903 1.008000 0.423800 -1.2288E+01 -8.5546E+00 -7.8756E+00 H2 2904 1.008000 0.423800 -1.1470E+01 -8.0367E+00 -6.5602E+00 O6 2905 15.999400 -0.847600 -1.0603E+01 1.7230E+01 1.4061E+01 H1 2906 1.008000 0.423800 -1.0639E+01 1.8062E+01 1.4614E+01 H2 2907 1.008000 0.423800 -9.6499E+00 1.6960E+01 1.3926E+01 O6 2908 15.999400 -0.847600 8.6587E-01 1.7471E+01 -1.9084E+01 H1 2909 1.008000 0.423800 1.5123E+00 1.6805E+01 -1.9457E+01 H2 2910 1.008000 0.423800 3.4048E-01 1.7879E+01 1.9267E+01 O6 2911 15.999400 -0.847600 1.1238E+01 -7.6587E+00 -5.4081E+00 H1 2912 1.008000 0.423800 1.1937E+01 -7.9922E+00 -6.0408E+00 H2 2913 1.008000 0.423800 1.0446E+01 -8.2681E+00 -5.4354E+00 O6 2914 15.999400 -0.847600 -1.8104E+01 3.3932E+00 1.4325E+01 H1 2915 1.008000 0.423800 -1.8985E+01 3.4540E+00 1.3857E+01 H2 2916 1.008000 0.423800 -1.7952E+01 4.2248E+00 1.4860E+01 O6 2917 15.999400 -0.847600 9.2088E+00 3.8798E+00 -5.2194E+00 H1 2918 1.008000 0.423800 8.9282E+00 4.0660E+00 -4.2778E+00 H2 2919 1.008000 0.423800 9.5873E+00 4.7117E+00 -5.6251E+00 O6 2920 15.999400 -0.847600 -1.2606E+01 -7.8651E+00 2.0405E+00 H1 2921 1.008000 0.423800 -1.1977E+01 -7.0889E+00 1.9957E+00 H2 2922 1.008000 0.423800 -1.2249E+01 -8.5472E+00 2.6785E+00 O6 2923 15.999400 -0.847600 -1.8932E+00 1.6922E+01 2.3230E+00 H1 2924 1.008000 0.423800 -2.7993E+00 1.6643E+01 2.6412E+00 H2 2925 1.008000 0.423800 -1.9590E+00 1.7809E+01 1.8663E+00 O6 2926 15.999400 -0.847600 6.9791E+00 -3.3347E+00 6.8363E+00 H1 2927 1.008000 0.423800 7.5162E+00 -4.0253E+00 7.3209E+00 H2 2928 1.008000 0.423800 6.2794E+00 -2.9667E+00 7.4486E+00 O6 2929 15.999400 -0.847600 -9.5824E+00 4.1487E+00 1.3529E+01 H1 2930 1.008000 0.423800 -1.0022E+01 4.8892E+00 1.3020E+01 H2 2931 1.008000 0.423800 -8.6272E+00 4.0697E+00 1.3243E+01 O6 2932 15.999400 -0.847600 1.2153E+01 -5.4303E+00 3.8898E+00 H1 2933 1.008000 0.423800 1.2505E+01 -4.5456E+00 4.1953E+00 H2 2934 1.008000 0.423800 1.1986E+01 -5.4001E+00 2.9044E+00 O6 2935 15.999400 -0.847600 -4.7258E+00 1.6277E+01 -1.3654E+01 H1 2936 1.008000 0.423800 -4.8735E+00 1.5546E+01 -1.4320E+01 H2 2937 1.008000 0.423800 -5.5017E+00 1.6316E+01 -1.3024E+01 O6 2938 15.999400 -0.847600 1.9273E+01 -8.7691E+00 1.5881E+01 H1 2939 1.008000 0.423800 1.9110E+01 -9.6498E+00 1.6326E+01 H2 2940 1.008000 0.423800 1.8515E+01 -8.1490E+00 1.6081E+01 O6 2941 15.999400 -0.847600 -2.2478E+00 -1.1200E+01 -1.7346E+01 H1 2942 1.008000 0.423800 -2.1008E+00 -1.0211E+01 -1.7330E+01 H2 2943 1.008000 0.423800 -1.7505E+00 -1.1623E+01 -1.6589E+01 O6 2944 15.999400 -0.847600 -1.1848E+01 -2.6306E+00 -1.6178E+01 H1 2945 1.008000 0.423800 -1.1158E+01 -1.9317E+00 -1.6366E+01 H2 2946 1.008000 0.423800 -1.2744E+01 -2.1969E+00 -1.6080E+01 O6 2947 15.999400 -0.847600 1.0327E+01 -2.4346E+00 4.9114E+00 H1 2948 1.008000 0.423800 9.8407E+00 -2.7463E+00 4.0950E+00 H2 2949 1.008000 0.423800 9.7368E+00 -1.8215E+00 5.4368E+00 O6 2950 15.999400 -0.847600 1.7304E+01 1.1791E+01 1.9448E+01 H1 2951 1.008000 0.423800 1.7006E+01 1.1709E+01 -1.8699E+01 H2 2952 1.008000 0.423800 1.7509E+01 1.0883E+01 1.9083E+01 O6 2953 15.999400 -0.847600 -1.2695E+01 1.7244E+00 -1.3001E+01 H1 2954 1.008000 0.423800 -1.1953E+01 1.1494E+00 -1.3346E+01 H2 2955 1.008000 0.423800 -1.2321E+01 2.4159E+00 -1.2383E+01 O6 2956 15.999400 -0.847600 1.2259E+01 1.3792E+01 5.0650E+00 H1 2957 1.008000 0.423800 1.1815E+01 1.4684E+01 4.9794E+00 H2 2958 1.008000 0.423800 1.3146E+01 1.3903E+01 5.5119E+00 O6 2959 15.999400 -0.847600 7.3761E+00 -1.2623E+01 -5.5630E+00 H1 2960 1.008000 0.423800 7.2156E+00 -1.3579E+01 -5.3200E+00 H2 2961 1.008000 0.423800 8.2635E+00 -1.2332E+01 -5.2051E+00 O6 2962 15.999400 -0.847600 -1.5993E+01 -5.6989E+00 2.0803E+00 H1 2963 1.008000 0.423800 -1.6376E+01 -4.7771E+00 2.1436E+00 H2 2964 1.008000 0.423800 -1.5963E+01 -5.9820E+00 1.1217E+00 O6 2965 15.999400 -0.847600 1.5395E+01 -1.7295E+01 -5.8500E+00 H1 2966 1.008000 0.423800 1.5503E+01 -1.8262E+01 -6.0791E+00 H2 2967 1.008000 0.423800 1.5860E+01 -1.6736E+01 -6.5362E+00 O6 2968 15.999400 -0.847600 9.4354E+00 -6.4915E+00 1.4711E+01 H1 2969 1.008000 0.423800 8.7453E+00 -5.9028E+00 1.4290E+01 H2 2970 1.008000 0.423800 8.9859E+00 -7.1644E+00 1.5298E+01 O6 2971 15.999400 -0.847600 2.6156E+00 9.8933E+00 1.7777E+01 H1 2972 1.008000 0.423800 1.6477E+00 9.7703E+00 1.7996E+01 H2 2973 1.008000 0.423800 3.0513E+00 1.0443E+01 1.8490E+01 O6 2974 15.999400 -0.847600 -1.3713E+01 1.6218E+01 6.3185E+00 H1 2975 1.008000 0.423800 -1.3663E+01 1.7098E+01 5.8472E+00 H2 2976 1.008000 0.423800 -1.4247E+01 1.6319E+01 7.1576E+00 O6 2977 15.999400 -0.847600 7.2899E+00 -1.1100E+00 -4.2549E+00 H1 2978 1.008000 0.423800 6.3820E+00 -1.5190E+00 -4.1633E+00 H2 2979 1.008000 0.423800 7.8432E+00 -1.6628E+00 -4.8780E+00 O6 2980 15.999400 -0.847600 1.3971E+01 3.7277E+00 -6.6601E+00 H1 2981 1.008000 0.423800 1.4876E+01 3.5216E+00 -6.2861E+00 H2 2982 1.008000 0.423800 1.3379E+01 4.0696E+00 -5.9305E+00 O6 2983 15.999400 -0.847600 1.8162E+00 7.3300E+00 3.2339E+00 H1 2984 1.008000 0.423800 2.7549E+00 7.5057E+00 2.9373E+00 H2 2985 1.008000 0.423800 1.5823E+00 6.3750E+00 3.0514E+00 O6 2986 15.999400 -0.847600 -5.9359E+00 -9.4223E+00 1.3823E+01 H1 2987 1.008000 0.423800 -5.0793E+00 -9.9176E+00 1.3678E+01 H2 2988 1.008000 0.423800 -5.8842E+00 -8.9105E+00 1.4681E+01 O6 2989 15.999400 -0.847600 1.1408E+01 1.1851E+01 4.3748E-01 H1 2990 1.008000 0.423800 1.0465E+01 1.1798E+01 7.6629E-01 H2 2991 1.008000 0.423800 1.1680E+01 1.0965E+01 6.1203E-02 O6 2992 15.999400 -0.847600 4.9904E-01 1.0998E+01 -1.8530E+01 H1 2993 1.008000 0.423800 2.7630E-01 1.0311E+01 -1.7838E+01 H2 2994 1.008000 0.423800 1.5518E-01 1.1890E+01 -1.8237E+01 O6 2995 15.999400 -0.847600 6.4879E+00 -1.3604E+01 -1.7554E+01 H1 2996 1.008000 0.423800 7.4054E+00 -1.3211E+01 -1.7614E+01 H2 2997 1.008000 0.423800 6.5471E+00 -1.4534E+01 -1.7191E+01 O6 2998 15.999400 -0.847600 1.8122E+01 -3.1279E-02 5.8548E+00 H1 2999 1.008000 0.423800 1.7381E+01 1.9622E-01 5.2232E+00 H2 3000 1.008000 0.423800 1.7861E+01 2.3210E-01 6.7835E+00 O6 3001 15.999400 -0.847600 -3.3450E+00 1.6346E+01 -1.1078E+01 H1 3002 1.008000 0.423800 -3.5252E+00 1.7327E+01 -1.1004E+01 H2 3003 1.008000 0.423800 -3.2426E+00 1.6098E+01 -1.2042E+01 O6 3004 15.999400 -0.847600 -1.7326E+01 1.4440E+01 1.8094E+01 H1 3005 1.008000 0.423800 -1.8008E+01 1.3731E+01 1.8273E+01 H2 3006 1.008000 0.423800 -1.6457E+01 1.4012E+01 1.7846E+01 O6 3007 15.999400 -0.847600 4.7192E+00 -1.9314E+00 -4.2894E+00 H1 3008 1.008000 0.423800 4.2492E+00 -1.7577E+00 -5.1549E+00 H2 3009 1.008000 0.423800 4.7115E+00 -2.9126E+00 -4.0971E+00 O6 3010 15.999400 -0.847600 -1.8249E+01 1.5490E+01 1.5653E+01 H1 3011 1.008000 0.423800 -1.7970E+01 1.4729E+01 1.5067E+01 H2 3012 1.008000 0.423800 -1.7996E+01 1.5292E+01 1.6600E+01 O6 3013 15.999400 -0.847600 6.3119E+00 -1.5027E+01 -5.0551E+00 H1 3014 1.008000 0.423800 5.6762E+00 -1.5381E+01 -5.7413E+00 H2 3015 1.008000 0.423800 5.7976E+00 -1.4581E+01 -4.3232E+00 O6 3016 15.999400 -0.847600 -1.2899E+00 -4.3757E+00 1.5070E+01 H1 3017 1.008000 0.423800 -1.1831E+00 -4.6434E+00 1.6028E+01 H2 3018 1.008000 0.423800 -1.4755E+00 -5.1871E+00 1.4516E+01 O6 3019 15.999400 -0.847600 -1.0718E+01 7.7298E+00 9.4593E+00 H1 3020 1.008000 0.423800 -1.1693E+01 7.5947E+00 9.6375E+00 H2 3021 1.008000 0.423800 -1.0197E+01 6.9862E+00 9.8778E+00 O6 3022 15.999400 -0.847600 9.1491E+00 -1.3766E+01 1.7039E+01 H1 3023 1.008000 0.423800 9.8955E+00 -1.4206E+01 1.6540E+01 H2 3024 1.008000 0.423800 8.7708E+00 -1.4407E+01 1.7706E+01 O6 3025 15.999400 -0.847600 -1.1841E+01 -1.5389E+00 -5.2689E+00 H1 3026 1.008000 0.423800 -1.2737E+01 -1.4127E+00 -5.6943E+00 H2 3027 1.008000 0.423800 -1.1660E+01 -7.8153E-01 -4.6414E+00 O6 3028 15.999400 -0.847600 -9.8732E+00 -1.0298E+01 -1.1105E+01 H1 3029 1.008000 0.423800 -9.0119E+00 -1.0470E+01 -1.1583E+01 H2 3030 1.008000 0.423800 -9.6985E+00 -9.7398E+00 -1.0294E+01 O6 3031 15.999400 -0.847600 -1.6890E+01 -1.4795E+01 9.8239E+00 H1 3032 1.008000 0.423800 -1.5943E+01 -1.5072E+01 9.6564E+00 H2 3033 1.008000 0.423800 -1.7285E+01 -1.5373E+01 1.0537E+01 O6 3034 15.999400 -0.847600 1.0523E+01 2.8454E+00 1.6477E+01 H1 3035 1.008000 0.423800 1.0042E+01 3.7136E+00 1.6354E+01 H2 3036 1.008000 0.423800 9.9399E+00 2.0948E+00 1.6166E+01 O6 3037 15.999400 -0.847600 1.3165E+01 -9.2735E+00 -3.5910E+00 H1 3038 1.008000 0.423800 1.3713E+01 -9.1736E+00 -2.7603E+00 H2 3039 1.008000 0.423800 1.2963E+01 -8.3695E+00 -3.9677E+00 O6 3040 15.999400 -0.847600 -1.3256E+01 -1.0051E+01 1.3144E+01 H1 3041 1.008000 0.423800 -1.3139E+01 -9.1053E+00 1.2839E+01 H2 3042 1.008000 0.423800 -1.4198E+01 -1.0340E+01 1.2977E+01 O6 3043 15.999400 -0.847600 1.5043E+01 -1.8421E+01 1.4931E+00 H1 3044 1.008000 0.423800 1.4474E+01 -1.7601E+01 1.5478E+00 H2 3045 1.008000 0.423800 1.5050E+01 -1.8759E+01 5.5203E-01 O6 3046 15.999400 -0.847600 8.0132E-01 3.4877E+00 1.8888E+01 H1 3047 1.008000 0.423800 1.3740E+00 4.3068E+00 1.8924E+01 H2 3048 1.008000 0.423800 8.3223E-01 3.0209E+00 -1.9325E+01 O6 3049 15.999400 -0.847600 1.1214E+00 -1.5409E+01 5.3364E+00 H1 3050 1.008000 0.423800 1.4972E+00 -1.6202E+01 5.8153E+00 H2 3051 1.008000 0.423800 1.2460E-01 -1.5413E+01 5.4165E+00 O6 3052 15.999400 -0.847600 -1.8057E+01 -1.0658E+01 -6.2326E+00 H1 3053 1.008000 0.423800 -1.7345E+01 -1.0305E+01 -5.6260E+00 H2 3054 1.008000 0.423800 -1.8953E+01 -1.0529E+01 -5.8065E+00 O6 3055 15.999400 -0.847600 -6.2637E+00 -7.4585E+00 1.5805E+01 H1 3056 1.008000 0.423800 -6.6031E+00 -7.1523E+00 1.6694E+01 H2 3057 1.008000 0.423800 -5.3081E+00 -7.1831E+00 1.5700E+01 O6 3058 15.999400 -0.847600 8.6115E+00 -2.3704E+00 2.6535E+00 H1 3059 1.008000 0.423800 9.4140E+00 -2.2802E+00 2.0637E+00 H2 3060 1.008000 0.423800 7.9162E+00 -1.7084E+00 2.3738E+00 O6 3061 15.999400 -0.847600 1.8435E+01 7.1687E+00 1.5419E+01 H1 3062 1.008000 0.423800 1.7957E+01 6.6318E+00 1.6115E+01 H2 3063 1.008000 0.423800 1.8356E+01 8.1415E+00 1.5637E+01 O6 3064 15.999400 -0.847600 1.5935E+00 -1.1803E+01 1.5273E+01 H1 3065 1.008000 0.423800 2.1374E+00 -1.2537E+01 1.5680E+01 H2 3066 1.008000 0.423800 1.1274E+00 -1.1293E+01 1.5995E+01 O6 3067 15.999400 -0.847600 -3.3018E+00 6.9673E+00 2.0217E+00 H1 3068 1.008000 0.423800 -2.7599E+00 6.5917E+00 1.2698E+00 H2 3069 1.008000 0.423800 -4.2306E+00 7.1545E+00 1.7020E+00 O6 3070 15.999400 -0.847600 -1.8300E+01 1.3127E+01 -1.2637E+01 H1 3071 1.008000 0.423800 -1.8146E+01 1.2691E+01 -1.1750E+01 H2 3072 1.008000 0.423800 -1.9260E+01 1.3024E+01 -1.2897E+01 O6 3073 15.999400 -0.847600 -3.4995E+00 -1.8949E+01 8.9038E+00 H1 3074 1.008000 0.423800 -3.9526E+00 1.9517E+01 9.5324E+00 H2 3075 1.008000 0.423800 -2.5656E+00 -1.9262E+01 8.7316E+00 O6 3076 15.999400 -0.847600 -1.9468E+00 1.6691E+01 1.0867E+01 H1 3077 1.008000 0.423800 -1.6396E+00 1.7567E+01 1.0495E+01 H2 3078 1.008000 0.423800 -2.4847E+00 1.6851E+01 1.1695E+01 O6 3079 15.999400 -0.847600 1.8566E+01 1.4007E+01 9.3148E+00 H1 3080 1.008000 0.423800 1.8768E+01 1.4180E+01 8.3509E+00 H2 3081 1.008000 0.423800 1.9381E+01 1.3644E+01 9.7663E+00 O6 3082 15.999400 -0.847600 1.7020E+01 -1.5544E+01 -6.9382E+00 H1 3083 1.008000 0.423800 1.7551E+01 -1.4956E+01 -6.3285E+00 H2 3084 1.008000 0.423800 1.6867E+01 -1.5073E+01 -7.8067E+00 O6 3085 15.999400 -0.847600 -1.8831E+01 1.5681E+01 4.3836E+00 H1 3086 1.008000 0.423800 -1.9298E+01 1.6564E+01 4.4053E+00 H2 3087 1.008000 0.423800 -1.7845E+01 1.5823E+01 4.4647E+00 O6 3088 15.999400 -0.847600 -1.0319E+00 9.8609E+00 -5.5718E+00 H1 3089 1.008000 0.423800 -1.2196E+00 1.0496E+01 -6.3214E+00 H2 3090 1.008000 0.423800 -4.3790E-02 9.7386E+00 -5.4783E+00 O6 3091 15.999400 -0.847600 4.3527E+00 6.1432E+00 1.5757E+01 H1 3092 1.008000 0.423800 4.0190E+00 6.7042E+00 1.6514E+01 H2 3093 1.008000 0.423800 4.4881E+00 6.7187E+00 1.4950E+01 O6 3094 15.999400 -0.847600 -1.3527E+01 -4.4004E+00 7.5506E+00 H1 3095 1.008000 0.423800 -1.4165E+01 -5.1689E+00 7.6086E+00 H2 3096 1.008000 0.423800 -1.4034E+01 -3.5622E+00 7.3478E+00 O6 3097 15.999400 -0.847600 1.8803E+01 3.0936E+00 -4.3289E+00 H1 3098 1.008000 0.423800 1.9517E+01 3.7749E+00 -4.1699E+00 H2 3099 1.008000 0.423800 1.8906E+01 2.3436E+00 -3.6756E+00 O6 3100 15.999400 -0.847600 1.4201E+01 -1.6121E+00 -1.9371E+01 H1 3101 1.008000 0.423800 1.4591E+01 -1.1256E+00 1.8944E+01 H2 3102 1.008000 0.423800 1.4679E+01 -2.4818E+00 -1.9248E+01 O6 3103 15.999400 -0.847600 -1.1150E+01 5.5701E+00 1.1707E+01 H1 3104 1.008000 0.423800 -1.1312E+01 6.5554E+00 1.1759E+01 H2 3105 1.008000 0.423800 -1.1854E+01 5.1455E+00 1.1138E+01 O6 3106 15.999400 -0.847600 3.2980E+00 1.6001E+01 -1.0625E+00 H1 3107 1.008000 0.423800 3.6310E+00 1.6302E+01 -1.6911E-01 H2 3108 1.008000 0.423800 2.3170E+00 1.5814E+01 -1.0070E+00 O6 3109 15.999400 -0.847600 1.2965E+01 -1.2069E+01 -2.1918E+00 H1 3110 1.008000 0.423800 1.2559E+01 -1.1489E+01 -1.4852E+00 H2 3111 1.008000 0.423800 1.2604E+01 -1.1806E+01 -3.0864E+00 O6 3112 15.999400 -0.847600 -5.0731E+00 -3.6747E+00 -1.5432E+01 H1 3113 1.008000 0.423800 -5.0459E+00 -3.8321E+00 -1.4445E+01 H2 3114 1.008000 0.423800 -4.1712E+00 -3.8570E+00 -1.5823E+01 O6 3115 15.999400 -0.847600 -1.2192E+01 1.5437E+01 -1.6799E+01 H1 3116 1.008000 0.423800 -1.2196E+01 1.4711E+01 -1.6112E+01 H2 3117 1.008000 0.423800 -1.1293E+01 1.5478E+01 -1.7235E+01 O6 3118 15.999400 -0.847600 6.1377E+00 -1.6524E+01 2.8600E+00 H1 3119 1.008000 0.423800 5.2394E+00 -1.6923E+01 2.6756E+00 H2 3120 1.008000 0.423800 6.2420E+00 -1.6378E+01 3.8439E+00 O6 3121 15.999400 -0.847600 -3.8206E+00 3.7965E+00 -2.0910E+00 H1 3122 1.008000 0.423800 -4.4558E+00 3.2807E+00 -2.6659E+00 H2 3123 1.008000 0.423800 -4.0934E+00 3.7105E+00 -1.1328E+00 O6 3124 15.999400 -0.847600 -1.7977E+01 1.0634E+01 1.6741E+01 H1 3125 1.008000 0.423800 -1.7016E+01 1.0831E+01 1.6548E+01 H2 3126 1.008000 0.423800 -1.8460E+01 1.0460E+01 1.5883E+01 O6 3127 15.999400 -0.847600 2.8578E+00 -1.3554E+01 1.2070E+01 H1 3128 1.008000 0.423800 2.3932E+00 -1.4396E+01 1.2345E+01 H2 3129 1.008000 0.423800 2.2035E+00 -1.2941E+01 1.1627E+01 O6 3130 15.999400 -0.847600 1.7794E+01 1.7251E+01 7.9689E+00 H1 3131 1.008000 0.423800 1.8726E+01 1.7404E+01 8.2972E+00 H2 3132 1.008000 0.423800 1.7236E+01 1.6878E+01 8.7107E+00 O6 3133 15.999400 -0.847600 3.6511E+00 -1.7765E+00 -1.8799E+01 H1 3134 1.008000 0.423800 4.3471E+00 -1.8190E+00 -1.9516E+01 H2 3135 1.008000 0.423800 3.1743E+00 -8.9892E-01 -1.8849E+01 O6 3136 15.999400 -0.847600 -6.3522E+00 -1.3544E+01 -1.9533E+01 H1 3137 1.008000 0.423800 -5.7456E+00 -1.2808E+01 -1.9232E+01 H2 3138 1.008000 0.423800 -6.6992E+00 -1.4038E+01 -1.8736E+01 O6 3139 15.999400 -0.847600 1.5138E+00 -8.4777E+00 -4.2349E+00 H1 3140 1.008000 0.423800 1.2849E+00 -8.1661E+00 -5.1572E+00 H2 3141 1.008000 0.423800 1.0265E+00 -7.9189E+00 -3.5638E+00 O6 3142 15.999400 -0.847600 1.1517E+01 -5.9306E+00 1.6537E+01 H1 3143 1.008000 0.423800 1.0819E+01 -6.1696E+00 1.5862E+01 H2 3144 1.008000 0.423800 1.1810E+01 -6.7558E+00 1.7020E+01 O6 3145 15.999400 -0.847600 -1.5089E+01 4.1981E+00 5.2073E+00 H1 3146 1.008000 0.423800 -1.4100E+01 4.2725E+00 5.0792E+00 H2 3147 1.008000 0.423800 -1.5336E+01 3.2389E+00 5.3454E+00 O6 3148 15.999400 -0.847600 -1.8008E+01 -3.6821E+00 -1.8323E+01 H1 3149 1.008000 0.423800 -1.7671E+01 -2.8444E+00 -1.7893E+01 H2 3150 1.008000 0.423800 -1.8041E+01 -4.4153E+00 -1.7644E+01 O6 3151 15.999400 -0.847600 3.6632E+00 -1.6753E+01 -3.6006E-01 H1 3152 1.008000 0.423800 3.2003E+00 -1.5871E+01 -2.7774E-01 H2 3153 1.008000 0.423800 4.4203E+00 -1.6673E+01 -1.0084E+00 O6 3154 15.999400 -0.847600 -3.6122E+00 -1.8994E+01 -1.0413E+00 H1 3155 1.008000 0.423800 -4.3683E+00 -1.8417E+01 -7.3165E-01 H2 3156 1.008000 0.423800 -3.4361E+00 -1.8820E+01 -2.0102E+00 O6 3157 15.999400 -0.847600 1.1792E+00 2.6956E+00 4.8700E+00 H1 3158 1.008000 0.423800 1.7197E+00 1.8901E+00 4.6270E+00 H2 3159 1.008000 0.423800 6.1117E-01 2.4879E+00 5.6663E+00 O6 3160 15.999400 -0.847600 -3.5467E+00 1.1822E+01 9.3909E+00 H1 3161 1.008000 0.423800 -4.4286E+00 1.2254E+01 9.2031E+00 H2 3162 1.008000 0.423800 -2.8095E+00 1.2465E+01 9.1861E+00 O6 3163 15.999400 -0.847600 1.8288E+01 -8.3894E+00 1.7727E+00 H1 3164 1.008000 0.423800 1.8336E+01 -8.9806E+00 9.6745E-01 H2 3165 1.008000 0.423800 1.7831E+01 -8.8763E+00 2.5171E+00 O6 3166 15.999400 -0.847600 -2.3660E-01 -7.1820E+00 -1.5349E+01 H1 3167 1.008000 0.423800 1.2700E-01 -6.8747E+00 -1.4469E+01 H2 3168 1.008000 0.423800 4.8611E-01 -7.1463E+00 -1.6039E+01 O6 3169 15.999400 -0.847600 -7.2688E+00 -1.5386E+00 3.2968E+00 H1 3170 1.008000 0.423800 -7.8071E+00 -9.5364E-01 3.9035E+00 H2 3171 1.008000 0.423800 -7.5272E+00 -2.4940E+00 3.4394E+00 O6 3172 15.999400 -0.847600 1.5196E+01 -5.0110E+00 -3.1413E+00 H1 3173 1.008000 0.423800 1.4316E+01 -5.4592E+00 -3.2953E+00 H2 3174 1.008000 0.423800 1.5584E+01 -5.3269E+00 -2.2754E+00 O6 3175 15.999400 -0.847600 3.0703E+00 5.1752E+00 -1.1193E+01 H1 3176 1.008000 0.423800 3.0511E+00 4.6236E+00 -1.0359E+01 H2 3177 1.008000 0.423800 2.9621E+00 4.5797E+00 -1.1989E+01 O6 3178 15.999400 -0.847600 1.6118E+01 8.1044E+00 -1.4836E+01 H1 3179 1.008000 0.423800 1.5379E+01 7.5986E+00 -1.4391E+01 H2 3180 1.008000 0.423800 1.6941E+01 7.5371E+00 -1.4863E+01 O6 3181 15.999400 -0.847600 -1.5716E+01 -1.1111E+01 -4.6713E-01 H1 3182 1.008000 0.423800 -1.5348E+01 -1.0483E+01 2.1922E-01 H2 3183 1.008000 0.423800 -1.5860E+01 -1.2010E+01 -5.3261E-02 O6 3184 15.999400 -0.847600 1.6568E+01 1.1466E+01 4.9863E+00 H1 3185 1.008000 0.423800 1.7466E+01 1.1223E+01 5.3541E+00 H2 3186 1.008000 0.423800 1.6629E+01 1.2345E+01 4.5135E+00 O6 3187 15.999400 -0.847600 1.4526E+01 1.2444E+01 1.1946E+01 H1 3188 1.008000 0.423800 1.4640E+01 1.1717E+01 1.2623E+01 H2 3189 1.008000 0.423800 1.4359E+01 1.3312E+01 1.2413E+01 O6 3190 15.999400 -0.847600 1.4439E+01 -1.1914E+01 -1.6005E+01 H1 3191 1.008000 0.423800 1.3816E+01 -1.1149E+01 -1.5843E+01 H2 3192 1.008000 0.423800 1.5362E+01 -1.1565E+01 -1.6168E+01 O6 3193 15.999400 -0.847600 -1.6099E+01 -1.6814E+01 1.8580E+01 H1 3194 1.008000 0.423800 -1.6025E+01 -1.6190E+01 1.9359E+01 H2 3195 1.008000 0.423800 -1.6677E+01 -1.7591E+01 1.8830E+01 O6 3196 15.999400 -0.847600 1.7867E+01 -2.5948E+00 9.2825E+00 H1 3197 1.008000 0.423800 1.8555E+01 -3.1423E+00 8.8055E+00 H2 3198 1.008000 0.423800 1.7929E+01 -2.7651E+00 1.0266E+01 O6 3199 15.999400 -0.847600 1.1744E+01 -9.7308E+00 8.5674E+00 H1 3200 1.008000 0.423800 1.0855E+01 -1.0054E+01 8.8890E+00 H2 3201 1.008000 0.423800 1.1996E+01 -8.9000E+00 9.0637E+00 O6 3202 15.999400 -0.847600 1.3338E+01 -1.1533E+01 1.0622E+01 H1 3203 1.008000 0.423800 1.3870E+01 -1.0968E+01 9.9912E+00 H2 3204 1.008000 0.423800 1.2832E+01 -1.0943E+01 1.1251E+01 O6 3205 15.999400 -0.847600 -8.4065E+00 -1.9409E+00 1.7826E+01 H1 3206 1.008000 0.423800 -8.6433E+00 -1.2668E+00 1.7126E+01 H2 3207 1.008000 0.423800 -7.9366E+00 -2.7135E+00 1.7399E+01 O6 3208 15.999400 -0.847600 -1.8926E-01 8.4491E+00 8.5485E+00 H1 3209 1.008000 0.423800 -2.5526E-01 8.4304E+00 7.5509E+00 H2 3210 1.008000 0.423800 5.8601E-01 9.0191E+00 8.8206E+00 O6 3211 15.999400 -0.847600 -1.6073E+01 1.5196E+01 -5.5898E+00 H1 3212 1.008000 0.423800 -1.6797E+01 1.5346E+01 -4.9166E+00 H2 3213 1.008000 0.423800 -1.6480E+01 1.5063E+01 -6.4933E+00 O6 3214 15.999400 -0.847600 -1.3795E+01 -1.6640E+01 -4.3482E-01 H1 3215 1.008000 0.423800 -1.3437E+01 -1.7571E+01 -5.0501E-01 H2 3216 1.008000 0.423800 -1.3081E+01 -1.6034E+01 -8.2770E-02 O6 3217 15.999400 -0.847600 -1.2686E+01 3.1762E+00 3.4152E+00 H1 3218 1.008000 0.423800 -1.3258E+01 2.5370E+00 3.9289E+00 H2 3219 1.008000 0.423800 -1.1960E+01 3.5240E+00 4.0082E+00 O6 3220 15.999400 -0.847600 2.2493E+00 1.0032E+01 9.5200E+00 H1 3221 1.008000 0.423800 2.9561E+00 9.3308E+00 9.6150E+00 H2 3222 1.008000 0.423800 1.8394E+00 1.0215E+01 1.0414E+01 O6 3223 15.999400 -0.847600 -1.7191E+01 -1.0625E+01 -1.2899E+01 H1 3224 1.008000 0.423800 -1.6772E+01 -1.1034E+01 -1.3710E+01 H2 3225 1.008000 0.423800 -1.6874E+01 -1.1106E+01 -1.2081E+01 O6 3226 15.999400 -0.847600 3.0714E+00 1.3573E+01 1.3358E+01 H1 3227 1.008000 0.423800 2.2457E+00 1.4097E+01 1.3148E+01 H2 3228 1.008000 0.423800 3.6762E+00 1.3570E+01 1.2562E+01 O6 3229 15.999400 -0.847600 6.0080E+00 -1.8029E+00 -9.0840E+00 H1 3230 1.008000 0.423800 5.1958E+00 -2.0359E+00 -8.5492E+00 H2 3231 1.008000 0.423800 5.8650E+00 -2.0648E+00 -1.0038E+01 O6 3232 15.999400 -0.847600 -1.7457E+01 3.5596E-01 1.1081E+01 H1 3233 1.008000 0.423800 -1.6745E+01 1.0387E+00 1.1243E+01 H2 3234 1.008000 0.423800 -1.7328E+01 -5.2282E-02 1.0177E+01 O6 3235 15.999400 -0.847600 1.1396E+01 8.4343E+00 -5.0796E+00 H1 3236 1.008000 0.423800 1.0462E+01 8.7722E+00 -4.9583E+00 H2 3237 1.008000 0.423800 1.1953E+01 8.7047E+00 -4.2943E+00 O6 3238 15.999400 -0.847600 -1.3335E+01 1.9283E+01 -5.5860E+00 H1 3239 1.008000 0.423800 -1.3273E+01 -1.8893E+01 -5.2037E+00 H2 3240 1.008000 0.423800 -1.2442E+01 1.8837E+01 -5.5263E+00 O6 3241 15.999400 -0.847600 8.9912E+00 1.0948E+01 -1.4824E+01 H1 3242 1.008000 0.423800 9.3295E+00 1.0769E+01 -1.5748E+01 H2 3243 1.008000 0.423800 8.6016E+00 1.1868E+01 -1.4783E+01 O6 3244 15.999400 -0.847600 -9.3615E+00 -1.9487E+01 -1.5954E+01 H1 3245 1.008000 0.423800 -1.0274E+01 -1.9496E+01 -1.5545E+01 H2 3246 1.008000 0.423800 -9.4168E+00 -1.9122E+01 -1.6884E+01 O6 3247 15.999400 -0.847600 2.3061E+00 -1.7695E+01 6.5095E+00 H1 3248 1.008000 0.423800 2.5853E+00 -1.8512E+01 6.0049E+00 H2 3249 1.008000 0.423800 3.0700E+00 -1.7371E+01 7.0675E+00 O6 3250 15.999400 -0.847600 -4.9873E+00 9.6090E+00 8.2010E+00 H1 3251 1.008000 0.423800 -5.5133E+00 9.9543E+00 7.4237E+00 H2 3252 1.008000 0.423800 -4.2337E+00 1.0236E+01 8.3983E+00 O6 3253 15.999400 -0.847600 -1.8464E+01 -1.5971E+01 -9.8095E-01 H1 3254 1.008000 0.423800 -1.7902E+01 -1.6731E+01 -6.5549E-01 H2 3255 1.008000 0.423800 -1.9418E+01 -1.6264E+01 -1.0416E+00 O6 3256 15.999400 -0.847600 1.7140E+01 -3.3007E-02 8.4291E+00 H1 3257 1.008000 0.423800 1.7271E+01 5.7811E-01 9.2098E+00 H2 3258 1.008000 0.423800 1.7291E+01 -9.7861E-01 8.7171E+00 O6 3259 15.999400 -0.847600 -1.1309E+01 8.3777E+00 1.2501E+01 H1 3260 1.008000 0.423800 -1.1608E+01 9.0132E+00 1.1789E+01 H2 3261 1.008000 0.423800 -1.0335E+01 8.1813E+00 1.2384E+01 O6 3262 15.999400 -0.847600 -2.2598E+00 -1.7782E+01 3.8253E+00 H1 3263 1.008000 0.423800 -1.3388E+00 -1.8121E+01 3.6336E+00 H2 3264 1.008000 0.423800 -2.9206E+00 -1.8273E+01 3.2576E+00 O6 3265 15.999400 -0.847600 -2.9308E+00 -1.0224E+00 9.7721E-01 H1 3266 1.008000 0.423800 -3.1503E+00 -4.7357E-02 1.0103E+00 H2 3267 1.008000 0.423800 -3.5537E+00 -1.5248E+00 1.5768E+00 O6 3268 15.999400 -0.847600 8.3880E+00 -1.2548E+01 7.2574E+00 H1 3269 1.008000 0.423800 9.3871E+00 -1.2590E+01 7.2492E+00 H2 3270 1.008000 0.423800 8.0740E+00 -1.1941E+01 6.5274E+00 O6 3271 15.999400 -0.847600 -4.0531E+00 -2.6874E+00 1.8479E+01 H1 3272 1.008000 0.423800 -4.4130E+00 -3.0242E+00 1.7609E+01 H2 3273 1.008000 0.423800 -4.4993E+00 -3.1691E+00 1.9233E+01 O6 3274 15.999400 -0.847600 -1.2045E+00 -6.9588E+00 1.4111E+01 H1 3275 1.008000 0.423800 -9.5969E-01 -7.7465E+00 1.4677E+01 H2 3276 1.008000 0.423800 -9.8194E-01 -7.1524E+00 1.3156E+01 O6 3277 15.999400 -0.847600 1.0510E+01 -1.5314E+01 1.5383E+01 H1 3278 1.008000 0.423800 1.0065E+01 -1.6118E+01 1.5777E+01 H2 3279 1.008000 0.423800 1.1351E+01 -1.5592E+01 1.4918E+01 O6 3280 15.999400 -0.847600 -1.0686E+01 1.3768E+00 -8.6376E+00 H1 3281 1.008000 0.423800 -9.7074E+00 1.2809E+00 -8.8177E+00 H2 3282 1.008000 0.423800 -1.1062E+01 2.1019E+00 -9.2148E+00 O6 3283 15.999400 -0.847600 -1.4472E+01 6.8506E-01 7.3452E+00 H1 3284 1.008000 0.423800 -1.3705E+01 7.2323E-01 7.9854E+00 H2 3285 1.008000 0.423800 -1.5180E+01 1.3300E+00 7.6342E+00 O6 3286 15.999400 -0.847600 1.1827E+01 -3.1127E+00 -1.6065E+01 H1 3287 1.008000 0.423800 1.1472E+01 -3.0087E+00 -1.6994E+01 H2 3288 1.008000 0.423800 1.2026E+01 -2.2109E+00 -1.5681E+01 O6 3289 15.999400 -0.847600 -5.8926E+00 -1.7156E+01 -1.1819E+00 H1 3290 1.008000 0.423800 -6.0697E+00 -1.7167E+01 -2.1661E+00 H2 3291 1.008000 0.423800 -5.2305E+00 -1.6437E+01 -9.7035E-01 O6 3292 15.999400 -0.847600 1.0675E+01 5.0954E+00 8.7710E+00 H1 3293 1.008000 0.423800 1.1266E+01 5.9020E+00 8.7490E+00 H2 3294 1.008000 0.423800 1.0896E+01 4.4992E+00 7.9992E+00 O6 3295 15.999400 -0.847600 -1.8567E+01 1.2962E+01 -1.8268E+01 H1 3296 1.008000 0.423800 -1.8958E+01 1.2078E+01 -1.8012E+01 H2 3297 1.008000 0.423800 -1.8978E+01 1.3272E+01 -1.9125E+01 O6 3298 15.999400 -0.847600 -1.3364E+01 -4.5806E+00 -1.3614E-02 H1 3299 1.008000 0.423800 -1.3574E+01 -3.9286E+00 7.1487E-01 H2 3300 1.008000 0.423800 -1.3780E+01 -4.2709E+00 -8.6846E-01 O6 3301 15.999400 -0.847600 -1.4554E+01 -1.1462E+01 1.5949E+01 H1 3302 1.008000 0.423800 -1.4222E+01 -1.0590E+01 1.5591E+01 H2 3303 1.008000 0.423800 -1.4473E+01 -1.1466E+01 1.6945E+01 O6 3304 15.999400 -0.847600 -8.1020E+00 -1.5504E+01 2.6383E+00 H1 3305 1.008000 0.423800 -7.1976E+00 -1.5931E+01 2.6418E+00 H2 3306 1.008000 0.423800 -8.0468E+00 -1.4602E+01 3.0666E+00 O6 3307 15.999400 -0.847600 2.2139E+00 4.6000E+00 6.9852E+00 H1 3308 1.008000 0.423800 1.7455E+00 4.0466E+00 6.2965E+00 H2 3309 1.008000 0.423800 2.0704E+00 4.1982E+00 7.8896E+00 O6 3310 15.999400 -0.847600 -1.1825E+01 6.6113E+00 5.6704E-01 H1 3311 1.008000 0.423800 -1.2315E+01 5.7905E+00 8.6053E-01 H2 3312 1.008000 0.423800 -1.2274E+01 7.4207E+00 9.4549E-01 O6 3313 15.999400 -0.847600 1.0300E+01 1.1133E+01 1.3397E+01 H1 3314 1.008000 0.423800 9.7408E+00 1.1692E+01 1.2784E+01 H2 3315 1.008000 0.423800 1.0995E+01 1.0649E+01 1.2866E+01 O6 3316 15.999400 -0.847600 -3.5428E+00 -6.6159E+00 1.5572E+01 H1 3317 1.008000 0.423800 -2.8301E+00 -6.7723E+00 1.4888E+01 H2 3318 1.008000 0.423800 -3.2526E+00 -6.9985E+00 1.6449E+01 O6 3319 15.999400 -0.847600 -2.7363E+00 1.7603E+01 1.3476E+01 H1 3320 1.008000 0.423800 -3.4521E+00 1.7205E+01 1.4051E+01 H2 3321 1.008000 0.423800 -2.1682E+00 1.8214E+01 1.4027E+01 O6 3322 15.999400 -0.847600 2.4399E+00 -5.5712E+00 -8.7592E+00 H1 3323 1.008000 0.423800 3.0514E+00 -5.9295E+00 -8.0537E+00 H2 3324 1.008000 0.423800 1.9663E+00 -4.7626E+00 -8.4104E+00 O6 3325 15.999400 -0.847600 1.2518E+01 -5.5175E+00 -8.7928E+00 H1 3326 1.008000 0.423800 1.2915E+01 -4.8129E+00 -8.2042E+00 H2 3327 1.008000 0.423800 1.1602E+01 -5.2363E+00 -9.0787E+00 O6 3328 15.999400 -0.847600 -1.6394E+01 9.3714E+00 -1.4693E+01 H1 3329 1.008000 0.423800 -1.6184E+01 9.9832E+00 -1.3931E+01 H2 3330 1.008000 0.423800 -1.6080E+01 8.4472E+00 -1.4476E+01 O6 3331 15.999400 -0.847600 -2.7179E+00 -1.1025E-01 1.7785E+01 H1 3332 1.008000 0.423800 -2.6517E+00 -1.0100E+00 1.8216E+01 H2 3333 1.008000 0.423800 -2.1263E+00 -8.2647E-02 1.6979E+01 O6 3334 15.999400 -0.847600 5.1736E-01 5.4938E+00 -1.6927E+01 H1 3335 1.008000 0.423800 1.2404E+00 5.6763E+00 -1.6261E+01 H2 3336 1.008000 0.423800 3.5084E-01 4.5090E+00 -1.6977E+01 O6 3337 15.999400 -0.847600 -2.4201E+00 -1.1109E+01 1.8443E+01 H1 3338 1.008000 0.423800 -3.1036E+00 -1.0448E+01 1.8134E+01 H2 3339 1.008000 0.423800 -1.7988E+00 -1.0668E+01 1.9091E+01 O6 3340 15.999400 -0.847600 5.1247E+00 4.5436E+00 -1.6337E+01 H1 3341 1.008000 0.423800 4.4686E+00 4.2325E+00 -1.5650E+01 H2 3342 1.008000 0.423800 4.7413E+00 4.4051E+00 -1.7250E+01 O6 3343 15.999400 -0.847600 1.2572E+01 1.9252E+01 -4.2405E-01 H1 3344 1.008000 0.423800 1.2709E+01 -1.8950E+01 -8.4574E-01 H2 3345 1.008000 0.423800 1.2670E+01 1.8538E+01 -1.1179E+00 O6 3346 15.999400 -0.847600 9.8165E+00 1.9363E+01 -1.1231E+01 H1 3347 1.008000 0.423800 9.9101E+00 1.9244E+01 -1.0243E+01 H2 3348 1.008000 0.423800 9.1519E+00 -1.9011E+01 -1.1418E+01 O6 3349 15.999400 -0.847600 -1.6835E+01 -1.5743E+01 -1.3387E+01 H1 3350 1.008000 0.423800 -1.6219E+01 -1.4956E+01 -1.3386E+01 H2 3351 1.008000 0.423800 -1.6584E+01 -1.6363E+01 -1.4131E+01 O6 3352 15.999400 -0.847600 1.5776E+01 -1.8707E+01 1.2366E+01 H1 3353 1.008000 0.423800 1.4888E+01 -1.8285E+01 1.2545E+01 H2 3354 1.008000 0.423800 1.5999E+01 -1.8615E+01 1.1395E+01 O6 3355 15.999400 -0.847600 4.4011E+00 -9.6666E+00 -7.4486E+00 H1 3356 1.008000 0.423800 3.5759E+00 -9.8759E+00 -7.9733E+00 H2 3357 1.008000 0.423800 4.6058E+00 -1.0427E+01 -6.8322E+00 O6 3358 15.999400 -0.847600 4.9576E-01 7.4126E+00 -1.3615E+01 H1 3359 1.008000 0.423800 1.2441E+00 6.9524E+00 -1.4093E+01 H2 3360 1.008000 0.423800 1.9725E-01 6.8506E+00 -1.2844E+01 O6 3361 15.999400 -0.847600 1.8418E+01 3.3540E+00 1.3491E+01 H1 3362 1.008000 0.423800 1.7916E+01 3.5946E+00 1.4322E+01 H2 3363 1.008000 0.423800 1.8045E+01 2.5082E+00 1.3109E+01 O6 3364 15.999400 -0.847600 9.6063E+00 1.7112E+01 -1.8601E+01 H1 3365 1.008000 0.423800 9.3050E+00 1.7865E+01 -1.8015E+01 H2 3366 1.008000 0.423800 1.0466E+01 1.6740E+01 -1.8250E+01 O6 3367 15.999400 -0.847600 7.5985E+00 -1.0628E+01 5.5957E+00 H1 3368 1.008000 0.423800 6.6971E+00 -1.1060E+01 5.5565E+00 H2 3369 1.008000 0.423800 7.4906E+00 -9.6396E+00 5.7004E+00 O6 3370 15.999400 -0.847600 1.8331E+01 -5.7038E+00 -6.6092E+00 H1 3371 1.008000 0.423800 1.8712E+01 -6.6117E+00 -6.7830E+00 H2 3372 1.008000 0.423800 1.7854E+01 -5.3807E+00 -7.4266E+00 O6 3373 15.999400 -0.847600 1.0657E+01 1.1942E+01 6.2642E+00 H1 3374 1.008000 0.423800 1.1383E+01 1.2611E+01 6.1046E+00 H2 3375 1.008000 0.423800 1.0657E+01 1.1267E+01 5.5263E+00 O6 3376 15.999400 -0.847600 -1.4678E+01 4.4584E+00 1.6376E+01 H1 3377 1.008000 0.423800 -1.5200E+01 5.2746E+00 1.6621E+01 H2 3378 1.008000 0.423800 -1.5223E+01 3.6427E+00 1.6567E+01 O6 3379 15.999400 -0.847600 5.8773E+00 8.9336E-01 6.4362E+00 H1 3380 1.008000 0.423800 5.9484E+00 1.8144E+00 6.0533E+00 H2 3381 1.008000 0.423800 5.0596E+00 8.3259E-01 7.0086E+00 O6 3382 15.999400 -0.847600 -1.6571E+00 -1.2087E+00 5.8419E+00 H1 3383 1.008000 0.423800 -1.8471E+00 -1.0579E+00 6.8121E+00 H2 3384 1.008000 0.423800 -2.3661E+00 -7.6826E-01 5.2911E+00 O6 3385 15.999400 -0.847600 -1.4274E+01 6.7871E+00 7.6386E+00 H1 3386 1.008000 0.423800 -1.4930E+01 6.2241E+00 8.1412E+00 H2 3387 1.008000 0.423800 -1.4732E+01 7.2191E+00 6.8617E+00 O6 3388 15.999400 -0.847600 1.2336E+01 -7.4223E+00 -1.0678E+01 H1 3389 1.008000 0.423800 1.2726E+01 -6.8603E+00 -1.1407E+01 H2 3390 1.008000 0.423800 1.2304E+01 -6.8931E+00 -9.8296E+00 O6 3391 15.999400 -0.847600 -8.2880E+00 1.0949E+01 3.2545E+00 H1 3392 1.008000 0.423800 -7.3421E+00 1.0625E+01 3.2757E+00 H2 3393 1.008000 0.423800 -8.4629E+00 1.1410E+01 2.3846E+00 O6 3394 15.999400 -0.847600 1.6501E+01 1.6057E+01 9.9483E+00 H1 3395 1.008000 0.423800 1.6354E+01 1.6421E+01 1.0868E+01 H2 3396 1.008000 0.423800 1.6810E+01 1.5108E+01 1.0011E+01 O6 3397 15.999400 -0.847600 -1.1213E+01 -6.6732E+00 1.7505E+01 H1 3398 1.008000 0.423800 -1.0832E+01 -7.0788E+00 1.6674E+01 H2 3399 1.008000 0.423800 -1.1499E+01 -5.7339E+00 1.7316E+01 O6 3400 15.999400 -0.847600 -1.3164E+01 7.2339E+00 -9.3155E+00 H1 3401 1.008000 0.423800 -1.3230E+01 7.6888E+00 -8.4274E+00 H2 3402 1.008000 0.423800 -1.3174E+01 7.9200E+00 -1.0043E+01 O6 3403 15.999400 -0.847600 1.0807E+01 -1.8918E+01 -1.6947E+01 H1 3404 1.008000 0.423800 1.1238E+01 -1.8545E+01 -1.6126E+01 H2 3405 1.008000 0.423800 1.1418E+01 -1.8796E+01 -1.7729E+01 O6 3406 15.999400 -0.847600 1.6159E+01 1.4193E+01 1.8105E+01 H1 3407 1.008000 0.423800 1.6103E+01 1.3526E+01 1.8848E+01 H2 3408 1.008000 0.423800 1.6389E+01 1.5091E+01 1.8481E+01 O6 3409 15.999400 -0.847600 -1.8514E+01 -1.4338E+01 4.0484E+00 H1 3410 1.008000 0.423800 -1.8888E+01 -1.3977E+01 3.1939E+00 H2 3411 1.008000 0.423800 -1.8444E+01 -1.5333E+01 3.9873E+00 O6 3412 15.999400 -0.847600 4.5488E+00 -1.2240E+01 8.8180E+00 H1 3413 1.008000 0.423800 5.1604E+00 -1.2043E+01 8.0517E+00 H2 3414 1.008000 0.423800 4.0218E+00 -1.1421E+01 9.0430E+00 O6 3415 15.999400 -0.847600 -8.3752E+00 1.4817E+01 -1.5993E+01 H1 3416 1.008000 0.423800 -8.2679E+00 1.4102E+01 -1.5303E+01 H2 3417 1.008000 0.423800 -8.3576E+00 1.5713E+01 -1.5550E+01 O6 3418 15.999400 -0.847600 1.8850E+01 1.8236E+01 5.0695E+00 H1 3419 1.008000 0.423800 1.8872E+01 1.7993E+01 6.0393E+00 H2 3420 1.008000 0.423800 1.8122E+01 1.8902E+01 4.9090E+00 O6 3421 15.999400 -0.847600 8.9888E+00 -5.3253E-01 -1.5671E+01 H1 3422 1.008000 0.423800 8.9676E+00 1.9530E-01 -1.6356E+01 H2 3423 1.008000 0.423800 9.6927E+00 -3.2904E-01 -1.4990E+01 O6 3424 15.999400 -0.847600 -1.8715E+01 8.0438E+00 1.1201E+01 H1 3425 1.008000 0.423800 -1.8607E+01 7.8154E+00 1.0233E+01 H2 3426 1.008000 0.423800 -1.8415E+01 7.2717E+00 1.1761E+01 O6 3427 15.999400 -0.847600 1.2176E+01 -1.1478E+01 -4.8826E+00 H1 3428 1.008000 0.423800 1.1608E+01 -1.1574E+01 -5.6999E+00 H2 3429 1.008000 0.423800 1.2376E+01 -1.0511E+01 -4.7269E+00 O6 3430 15.999400 -0.847600 -1.0140E-01 -1.6404E+01 -8.6484E+00 H1 3431 1.008000 0.423800 5.9346E-01 -1.5836E+01 -8.2073E+00 H2 3432 1.008000 0.423800 -9.8622E-01 -1.5940E+01 -8.6077E+00 O6 3433 15.999400 -0.847600 -1.1192E+01 1.1291E+01 -7.5113E+00 H1 3434 1.008000 0.423800 -1.1945E+01 1.1158E+01 -6.8659E+00 H2 3435 1.008000 0.423800 -1.0636E+01 1.2069E+01 -7.2192E+00 O6 3436 15.999400 -0.847600 1.4931E+01 -1.8730E+01 1.6518E+01 H1 3437 1.008000 0.423800 1.5634E+01 -1.8446E+01 1.5866E+01 H2 3438 1.008000 0.423800 1.5153E+01 1.9460E+01 1.6873E+01 O6 3439 15.999400 -0.847600 -6.5088E+00 1.5723E+01 1.9195E+01 H1 3440 1.008000 0.423800 -5.5515E+00 1.6003E+01 1.9265E+01 H2 3441 1.008000 0.423800 -7.0997E+00 1.6518E+01 1.9330E+01 O6 3442 15.999400 -0.847600 -1.5941E+01 7.2166E+00 1.6360E+01 H1 3443 1.008000 0.423800 -1.5957E+01 7.8966E+00 1.5627E+01 H2 3444 1.008000 0.423800 -1.5111E+01 7.3325E+00 1.6905E+01 O6 3445 15.999400 -0.847600 -9.1723E+00 2.5980E+00 7.0071E-02 H1 3446 1.008000 0.423800 -9.4426E+00 3.3615E+00 6.5666E-01 H2 3447 1.008000 0.423800 -9.9838E+00 2.2100E+00 -3.6686E-01 O6 3448 15.999400 -0.847600 -1.1041E+01 1.9208E+00 6.5624E+00 H1 3449 1.008000 0.423800 -1.0862E+01 9.6326E-01 6.3365E+00 H2 3450 1.008000 0.423800 -1.2026E+01 2.0900E+00 6.5396E+00 O6 3451 15.999400 -0.847600 -1.1124E+01 -4.3189E+00 -5.8456E+00 H1 3452 1.008000 0.423800 -1.0445E+01 -3.7657E+00 -6.3288E+00 H2 3453 1.008000 0.423800 -1.1483E+01 -3.8018E+00 -5.0690E+00 O6 3454 15.999400 -0.847600 3.9744E+00 1.5190E+01 1.1219E+01 H1 3455 1.008000 0.423800 4.7496E+00 1.4960E+01 1.1808E+01 H2 3456 1.008000 0.423800 4.2610E+00 1.5157E+01 1.0262E+01 O6 3457 15.999400 -0.847600 -1.8725E+01 8.4767E+00 -1.1048E+01 H1 3458 1.008000 0.423800 1.9425E+01 8.1573E+00 -1.1057E+01 H2 3459 1.008000 0.423800 -1.8130E+01 7.7637E+00 -1.1418E+01 O6 3460 15.999400 -0.847600 -1.4713E+01 8.8635E-01 1.6886E+00 H1 3461 1.008000 0.423800 -1.4999E+01 8.2350E-02 2.2099E+00 H2 3462 1.008000 0.423800 -1.3721E+01 8.6696E-01 1.5641E+00 O6 3463 15.999400 -0.847600 1.4998E+01 -3.5942E+00 3.2982E+00 H1 3464 1.008000 0.423800 1.4335E+01 -3.5400E+00 4.0441E+00 H2 3465 1.008000 0.423800 1.4516E+01 -3.7149E+00 2.4307E+00 O6 3466 15.999400 -0.847600 -1.3066E+01 -1.2057E+01 -1.6846E+01 H1 3467 1.008000 0.423800 -1.4053E+01 -1.2216E+01 -1.6878E+01 H2 3468 1.008000 0.423800 -1.2622E+01 -1.2810E+01 -1.6359E+01 O6 3469 15.999400 -0.847600 -1.2326E+01 2.8454E+00 -1.8186E+01 H1 3470 1.008000 0.423800 -1.1399E+01 2.6893E+00 -1.8528E+01 H2 3471 1.008000 0.423800 -1.2350E+01 2.6815E+00 -1.7200E+01 O6 3472 15.999400 -0.847600 -1.0757E+01 4.2437E+00 4.7404E+00 H1 3473 1.008000 0.423800 -1.0395E+01 3.7386E+00 5.5238E+00 H2 3474 1.008000 0.423800 -1.0040E+01 4.3463E+00 4.0502E+00 O6 3475 15.999400 -0.847600 -3.4751E+00 6.6074E+00 1.6011E+01 H1 3476 1.008000 0.423800 -3.0650E+00 7.3175E+00 1.5438E+01 H2 3477 1.008000 0.423800 -3.6862E+00 6.9861E+00 1.6912E+01 O6 3478 15.999400 -0.847600 -1.4837E+01 -5.8183E+00 1.8289E+01 H1 3479 1.008000 0.423800 -1.4558E+01 -6.4079E+00 1.9047E+01 H2 3480 1.008000 0.423800 -1.5779E+01 -5.5148E+00 1.8432E+01 O6 3481 15.999400 -0.847600 1.3823E+00 1.4826E+01 -1.0607E+01 H1 3482 1.008000 0.423800 6.7041E-01 1.5435E+01 -1.0257E+01 H2 3483 1.008000 0.423800 1.3143E+00 1.3937E+01 -1.0154E+01 O6 3484 15.999400 -0.847600 -8.6557E+00 -9.9476E+00 1.3773E+01 H1 3485 1.008000 0.423800 -7.6897E+00 -9.7435E+00 1.3614E+01 H2 3486 1.008000 0.423800 -9.2061E+00 -9.1400E+00 1.3561E+01 O6 3487 15.999400 -0.847600 -1.0539E+01 -1.9024E+01 -1.9078E+00 H1 3488 1.008000 0.423800 -1.1489E+01 -1.9328E+01 -1.9673E+00 H2 3489 1.008000 0.423800 -1.0505E+01 -1.8116E+01 -1.4891E+00 O6 3490 15.999400 -0.847600 -1.5215E+01 1.5238E+01 2.2716E+00 H1 3491 1.008000 0.423800 -1.5134E+01 1.5342E+01 1.2803E+00 H2 3492 1.008000 0.423800 -1.5117E+01 1.4273E+01 2.5143E+00 O6 3493 15.999400 -0.847600 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1.6046E+01 1.2413E+01 H2 3510 1.008000 0.423800 -1.5478E+01 1.7234E+01 1.3419E+01 O6 3511 15.999400 -0.847600 -2.6386E-01 -6.4791E+00 6.0651E+00 H1 3512 1.008000 0.423800 3.1765E-01 -6.2092E+00 5.2976E+00 H2 3513 1.008000 0.423800 -9.3372E-01 -5.7588E+00 6.2451E+00 O6 3514 15.999400 -0.847600 1.6704E+01 1.0335E+00 1.2226E+01 H1 3515 1.008000 0.423800 1.7452E+01 7.0615E-01 1.1649E+01 H2 3516 1.008000 0.423800 1.6065E+01 2.8465E-01 1.2400E+01 O6 3517 15.999400 -0.847600 1.4266E+00 7.1404E+00 -1.8390E+00 H1 3518 1.008000 0.423800 1.7799E+00 8.0136E+00 -2.1748E+00 H2 3519 1.008000 0.423800 1.3759E+00 7.1633E+00 -8.4052E-01 O6 3520 15.999400 -0.847600 -1.3291E+01 8.1613E+00 9.6713E+00 H1 3521 1.008000 0.423800 -1.3835E+01 7.5790E+00 9.0672E+00 H2 3522 1.008000 0.423800 -1.3866E+01 8.8948E+00 1.0034E+01 O6 3523 15.999400 -0.847600 -1.7070E+01 1.2995E+01 1.4984E+01 H1 3524 1.008000 0.423800 -1.7850E+01 1.2389E+01 1.4829E+01 H2 3525 1.008000 0.423800 -1.6510E+01 1.3035E+01 1.4156E+01 O6 3526 15.999400 -0.847600 -1.5301E+01 5.5029E+00 -9.7485E+00 H1 3527 1.008000 0.423800 -1.4517E+01 6.0744E+00 -9.5065E+00 H2 3528 1.008000 0.423800 -1.5726E+01 5.8552E+00 -1.0583E+01 O6 3529 15.999400 -0.847600 1.7328E+00 5.9779E+00 1.8701E+01 H1 3530 1.008000 0.423800 9.6991E-01 6.5821E+00 1.8931E+01 H2 3531 1.008000 0.423800 2.5966E+00 6.4534E+00 1.8868E+01 O6 3532 15.999400 -0.847600 1.8503E+00 -1.4775E+01 3.5770E-01 H1 3533 1.008000 0.423800 9.1967E-01 -1.4511E+01 6.1182E-01 H2 3534 1.008000 0.423800 2.3263E+00 -1.3985E+01 -2.9581E-02 O6 3535 15.999400 -0.847600 -3.1421E+00 9.6904E+00 2.3464E+00 H1 3536 1.008000 0.423800 -2.5868E+00 9.9242E+00 1.5482E+00 H2 3537 1.008000 0.423800 -3.2133E+00 8.6959E+00 2.4231E+00 O6 3538 15.999400 -0.847600 -1.0969E+01 -6.8823E+00 -5.2719E+00 H1 3539 1.008000 0.423800 -1.1674E+01 -7.1593E+00 -4.6191E+00 H2 3540 1.008000 0.423800 -1.1164E+01 -5.9582E+00 -5.6006E+00 O6 3541 15.999400 -0.847600 1.5151E+01 1.1098E+01 7.6292E+00 H1 3542 1.008000 0.423800 1.5550E+01 1.1408E+01 6.7658E+00 H2 3543 1.008000 0.423800 1.5444E+01 1.1706E+01 8.3678E+00 O6 3544 15.999400 -0.847600 3.7181E+00 -1.7520E+01 -4.8588E+00 H1 3545 1.008000 0.423800 3.4479E+00 -1.8467E+01 -4.6880E+00 H2 3546 1.008000 0.423800 3.0850E+00 -1.6903E+01 -4.3908E+00 O6 3547 15.999400 -0.847600 1.3736E+01 1.9233E+01 3.6577E+00 H1 3548 1.008000 0.423800 1.4101E+01 -1.9273E+01 2.9387E+00 H2 3549 1.008000 0.423800 1.2739E+01 1.9197E+01 3.5853E+00 O6 3550 15.999400 -0.847600 7.6078E-01 -1.1324E+01 7.0152E+00 H1 3551 1.008000 0.423800 1.0592E+00 -1.0481E+01 7.4636E+00 H2 3552 1.008000 0.423800 8.6342E-02 -1.1105E+01 6.3100E+00 O6 3553 15.999400 -0.847600 -4.0803E+00 -5.1286E+00 7.9152E+00 H1 3554 1.008000 0.423800 -4.2980E+00 -6.1046E+00 7.9187E+00 H2 3555 1.008000 0.423800 -3.8834E+00 -4.8278E+00 8.8483E+00 O6 3556 15.999400 -0.847600 -8.4681E+00 1.7637E+01 1.6092E+01 H1 3557 1.008000 0.423800 -9.1141E+00 1.6881E+01 1.6194E+01 H2 3558 1.008000 0.423800 -8.8118E+00 1.8437E+01 1.6583E+01 O6 3559 15.999400 -0.847600 1.1840E+01 -7.2888E+00 -1.6299E+01 H1 3560 1.008000 0.423800 1.2058E+01 -8.1117E+00 -1.5775E+01 H2 3561 1.008000 0.423800 1.1817E+01 -6.4991E+00 -1.5686E+01 O6 3562 15.999400 -0.847600 -4.4914E+00 -2.0196E+00 6.1638E+00 H1 3563 1.008000 0.423800 -4.8589E+00 -1.7423E+00 7.0516E+00 H2 3564 1.008000 0.423800 -4.8941E+00 -2.8945E+00 5.8950E+00 O6 3565 15.999400 -0.847600 -3.6837E+00 1.5825E+01 7.6550E+00 H1 3566 1.008000 0.423800 -2.8463E+00 1.5507E+01 7.2105E+00 H2 3567 1.008000 0.423800 -4.0806E+00 1.6573E+01 7.1224E+00 O6 3568 15.999400 -0.847600 1.2000E+01 2.1977E+00 -1.7378E+01 H1 3569 1.008000 0.423800 1.2707E+01 2.5086E+00 -1.6743E+01 H2 3570 1.008000 0.423800 1.1946E+01 2.8295E+00 -1.8151E+01 O6 3571 15.999400 -0.847600 -1.6876E+01 -6.4907E+00 -7.7555E+00 H1 3572 1.008000 0.423800 -1.6613E+01 -7.3036E+00 -8.2748E+00 H2 3573 1.008000 0.423800 -1.6341E+01 -5.7066E+00 -8.0693E+00 O6 3574 15.999400 -0.847600 -1.1273E+01 -4.4365E+00 1.9504E+01 H1 3575 1.008000 0.423800 -1.0664E+01 -3.8317E+00 -1.9080E+01 H2 3576 1.008000 0.423800 -1.1083E+01 -4.3474E+00 1.8526E+01 O6 3577 15.999400 -0.847600 -7.8900E+00 -9.7177E+00 7.2756E+00 H1 3578 1.008000 0.423800 -8.0128E+00 -9.2577E+00 8.1550E+00 H2 3579 1.008000 0.423800 -7.9963E+00 -9.0545E+00 6.5348E+00 O6 3580 15.999400 -0.847600 -7.2095E+00 3.2228E+00 -1.6611E+00 H1 3581 1.008000 0.423800 -7.9189E+00 2.9525E+00 -1.0100E+00 H2 3582 1.008000 0.423800 -6.5561E+00 3.8299E+00 -1.2090E+00 O6 3583 15.999400 -0.847600 -1.3035E+01 4.0510E+00 -5.3297E+00 H1 3584 1.008000 0.423800 -1.2214E+01 4.0880E+00 -5.9005E+00 H2 3585 1.008000 0.423800 -1.3080E+01 3.1648E+00 -4.8688E+00 O6 3586 15.999400 -0.847600 -4.1858E+00 7.9368E+00 -7.6611E+00 H1 3587 1.008000 0.423800 -4.0898E+00 6.9423E+00 -7.7046E+00 H2 3588 1.008000 0.423800 -5.1556E+00 8.1764E+00 -7.6173E+00 O6 3589 15.999400 -0.847600 6.5453E+00 3.4134E+00 4.8251E+00 H1 3590 1.008000 0.423800 7.4663E+00 3.0566E+00 4.6683E+00 H2 3591 1.008000 0.423800 6.5695E+00 4.4130E+00 4.8182E+00 O6 3592 15.999400 -0.847600 1.1290E+01 -1.0114E+01 -1.0781E+01 H1 3593 1.008000 0.423800 1.1053E+01 -1.0299E+01 -1.1734E+01 H2 3594 1.008000 0.423800 1.1634E+01 -9.1786E+00 -1.0698E+01 O6 3595 15.999400 -0.847600 -8.4164E+00 -7.5291E+00 2.8193E+00 H1 3596 1.008000 0.423800 -7.6031E+00 -6.9594E+00 2.7001E+00 H2 3597 1.008000 0.423800 -8.5019E+00 -8.1544E+00 2.0435E+00 O6 3598 15.999400 -0.847600 -1.2564E+01 -3.1097E+00 -1.1413E+01 H1 3599 1.008000 0.423800 -1.3359E+01 -3.7133E+00 -1.1351E+01 H2 3600 1.008000 0.423800 -1.2859E+01 -2.1591E+00 -1.1317E+01 O6 3601 15.999400 -0.847600 1.5682E+01 -1.8847E+01 -1.1539E+00 H1 3602 1.008000 0.423800 1.4781E+01 -1.8419E+01 -1.2262E+00 H2 3603 1.008000 0.423800 1.5759E+01 1.9520E+01 -1.8325E+00 O6 3604 15.999400 -0.847600 -1.4435E+01 1.5084E+01 -1.3957E+01 H1 3605 1.008000 0.423800 -1.3484E+01 1.4818E+01 -1.4115E+01 H2 3606 1.008000 0.423800 -1.5041E+01 1.4340E+01 -1.4240E+01 O6 3607 15.999400 -0.847600 7.8063E+00 5.0507E+00 2.3917E+00 H1 3608 1.008000 0.423800 7.6232E+00 4.3392E+00 1.7133E+00 H2 3609 1.008000 0.423800 6.9782E+00 5.2234E+00 2.9251E+00 O6 3610 15.999400 -0.847600 -1.8487E+01 1.3816E+01 1.9363E+00 H1 3611 1.008000 0.423800 -1.8545E+01 1.4451E+01 2.7067E+00 H2 3612 1.008000 0.423800 -1.7895E+01 1.3048E+01 2.1811E+00 O6 3613 15.999400 -0.847600 -1.5079E+01 1.0338E+01 6.0272E+00 H1 3614 1.008000 0.423800 -1.5124E+01 9.3409E+00 6.0831E+00 H2 3615 1.008000 0.423800 -1.4677E+01 1.0606E+01 5.1517E+00 O6 3616 15.999400 -0.847600 -7.6133E+00 1.8355E+01 -8.7196E+00 H1 3617 1.008000 0.423800 -7.3862E+00 1.8158E+01 -7.7659E+00 H2 3618 1.008000 0.423800 -6.9961E+00 1.7848E+01 -9.3210E+00 O6 3619 15.999400 -0.847600 -3.6636E+00 -1.9076E+01 -9.2701E+00 H1 3620 1.008000 0.423800 -4.1394E+00 -1.9543E+01 -1.0015E+01 H2 3621 1.008000 0.423800 -4.0632E+00 -1.8169E+01 -9.1367E+00 O6 3622 15.999400 -0.847600 -1.0183E+01 -1.2225E+01 -1.8919E+01 H1 3623 1.008000 0.423800 -1.0531E+01 -1.2230E+01 -1.7981E+01 H2 3624 1.008000 0.423800 -9.3695E+00 -1.1647E+01 -1.8969E+01 O6 3625 15.999400 -0.847600 1.2299E+01 1.8455E+01 -1.4057E+01 H1 3626 1.008000 0.423800 1.3029E+01 1.8566E+01 -1.4731E+01 H2 3627 1.008000 0.423800 1.1573E+01 1.7886E+01 -1.4443E+01 O6 3628 15.999400 -0.847600 -8.3226E+00 -1.2614E+01 -4.0996E-01 H1 3629 1.008000 0.423800 -8.0867E+00 -1.3471E+01 4.8162E-02 H2 3630 1.008000 0.423800 -8.6157E+00 -1.2807E+01 -1.3464E+00 O6 3631 15.999400 -0.847600 1.4274E+01 -1.0502E+01 8.2026E+00 H1 3632 1.008000 0.423800 1.4698E+01 -9.7538E+00 8.7138E+00 H2 3633 1.008000 0.423800 1.3280E+01 -1.0405E+01 8.2320E+00 O6 3634 15.999400 -0.847600 1.2477E+01 7.0355E+00 9.2535E+00 H1 3635 1.008000 0.423800 1.2019E+01 7.2297E+00 1.0121E+01 H2 3636 1.008000 0.423800 1.2882E+01 7.8766E+00 8.8948E+00 O6 3637 15.999400 -0.847600 7.0213E+00 -1.0609E+01 1.5029E+01 H1 3638 1.008000 0.423800 7.5237E+00 -1.0684E+01 1.5890E+01 H2 3639 1.008000 0.423800 7.2762E+00 -1.1366E+01 1.4427E+01 O6 3640 15.999400 -0.847600 5.1219E+00 4.2327E+00 7.3331E+00 H1 3641 1.008000 0.423800 4.1345E+00 4.3906E+00 7.3268E+00 H2 3642 1.008000 0.423800 5.4111E+00 3.8948E+00 6.4374E+00 O6 3643 15.999400 -0.847600 1.5399E+01 1.2942E+01 -7.3270E+00 H1 3644 1.008000 0.423800 1.6177E+01 1.2327E+01 -7.4554E+00 H2 3645 1.008000 0.423800 1.4556E+01 1.2408E+01 -7.2766E+00 O6 3646 15.999400 -0.847600 3.4418E+00 -1.3874E+01 -1.8126E+01 H1 3647 1.008000 0.423800 3.8539E+00 -1.4775E+01 -1.7991E+01 H2 3648 1.008000 0.423800 3.2745E+00 -1.3447E+01 -1.7237E+01 O6 3649 15.999400 -0.847600 -1.7285E+01 -1.6983E+01 -4.5047E+00 H1 3650 1.008000 0.423800 -1.7036E+01 -1.6037E+01 -4.2945E+00 H2 3651 1.008000 0.423800 -1.6559E+01 -1.7596E+01 -4.1932E+00 O6 3652 15.999400 -0.847600 -1.0732E+01 -1.9175E+01 1.5082E+01 H1 3653 1.008000 0.423800 -1.0102E+01 -1.9109E+01 1.5855E+01 H2 3654 1.008000 0.423800 -1.0545E+01 -1.8435E+01 1.4436E+01 O6 3655 15.999400 -0.847600 -7.5107E+00 -1.2007E+01 1.0187E+01 H1 3656 1.008000 0.423800 -8.3604E+00 -1.2482E+01 9.9596E+00 H2 3657 1.008000 0.423800 -6.8974E+00 -1.2025E+01 9.3970E+00 O6 3658 15.999400 -0.847600 1.1517E+01 1.5134E+01 1.3849E+01 H1 3659 1.008000 0.423800 1.0572E+01 1.4827E+01 1.3741E+01 H2 3660 1.008000 0.423800 1.1778E+01 1.5075E+01 1.4813E+01 O6 3661 15.999400 -0.847600 1.3188E+01 -1.7464E+01 1.2555E+01 H1 3662 1.008000 0.423800 1.3160E+01 -1.6990E+01 1.3435E+01 H2 3663 1.008000 0.423800 1.3161E+01 -1.6793E+01 1.1814E+01 O6 3664 15.999400 -0.847600 -1.6975E+00 9.0710E+00 -1.3955E+01 H1 3665 1.008000 0.423800 -7.3283E-01 8.8105E+00 -1.3994E+01 H2 3666 1.008000 0.423800 -2.1518E+00 8.5591E+00 -1.3226E+01 O6 3667 15.999400 -0.847600 1.8665E+01 -1.1187E+01 1.3187E+01 H1 3668 1.008000 0.423800 1.8291E+01 -1.0287E+01 1.2962E+01 H2 3669 1.008000 0.423800 1.9523E+01 -1.1075E+01 1.3689E+01 O6 3670 15.999400 -0.847600 1.1011E+01 1.0581E+01 8.4177E+00 H1 3671 1.008000 0.423800 1.1325E+01 1.1184E+01 9.1508E+00 H2 3672 1.008000 0.423800 1.0908E+01 1.1107E+01 7.5737E+00 O6 3673 15.999400 -0.847600 5.7257E+00 -1.8480E+01 -1.5380E+01 H1 3674 1.008000 0.423800 6.5868E+00 -1.8886E+01 -1.5686E+01 H2 3675 1.008000 0.423800 5.6903E+00 -1.8487E+01 -1.4381E+01 O6 3676 15.999400 -0.847600 1.8327E+01 1.8797E+00 5.2695E-01 H1 3677 1.008000 0.423800 1.8750E+01 1.1988E+00 1.1248E+00 H2 3678 1.008000 0.423800 1.9036E+01 2.4675E+00 1.3736E-01 O6 3679 15.999400 -0.847600 -1.6248E+01 1.9115E+01 -1.2533E+01 H1 3680 1.008000 0.423800 -1.6887E+01 1.8442E+01 -1.2161E+01 H2 3681 1.008000 0.423800 -1.5310E+01 1.8810E+01 -1.2371E+01 O6 3682 15.999400 -0.847600 -1.7318E+01 -1.2917E+01 6.1799E+00 H1 3683 1.008000 0.423800 -1.7946E+01 -1.2221E+01 6.5291E+00 H2 3684 1.008000 0.423800 -1.7795E+01 -1.3492E+01 5.5146E+00 O6 3685 15.999400 -0.847600 -1.0935E+01 4.9385E-01 -3.7641E+00 H1 3686 1.008000 0.423800 -1.0272E+01 7.0581E-01 -4.4823E+00 H2 3687 1.008000 0.423800 -1.0584E+01 8.0995E-01 -2.8827E+00 O6 3688 15.999400 -0.847600 -4.7779E+00 6.4111E+00 -2.8430E+00 H1 3689 1.008000 0.423800 -4.2075E+00 5.6239E+00 -2.6085E+00 H2 3690 1.008000 0.423800 -4.4927E+00 6.7773E+00 -3.7287E+00 O6 3691 15.999400 -0.847600 -8.5707E+00 6.3247E+00 -2.6423E+00 H1 3692 1.008000 0.423800 -8.6293E+00 7.2173E+00 -3.0894E+00 H2 3693 1.008000 0.423800 -7.6175E+00 6.1296E+00 -2.4114E+00 O6 3694 15.999400 -0.847600 6.6127E+00 1.7812E+01 -1.8935E+01 H1 3695 1.008000 0.423800 7.1736E+00 1.8259E+01 1.9466E+01 H2 3696 1.008000 0.423800 6.9732E+00 1.6897E+01 -1.8753E+01 O6 3697 15.999400 -0.847600 1.4259E+01 -2.6836E+00 9.5159E+00 H1 3698 1.008000 0.423800 1.4962E+01 -2.7368E+00 8.8071E+00 H2 3699 1.008000 0.423800 1.3552E+01 -2.0345E+00 9.2357E+00 O6 3700 15.999400 -0.847600 1.7291E+01 7.9974E+00 -2.3295E+00 H1 3701 1.008000 0.423800 1.7542E+01 8.1995E+00 -3.2762E+00 H2 3702 1.008000 0.423800 1.6786E+01 8.7704E+00 -1.9463E+00 O6 3703 15.999400 -0.847600 8.3434E-01 -1.4580E+01 1.4226E+01 H1 3704 1.008000 0.423800 1.5934E+00 -1.4046E+01 1.4598E+01 H2 3705 1.008000 0.423800 -6.1679E-04 -1.4373E+01 1.4735E+01 O6 3706 15.999400 -0.847600 -1.2914E+01 -1.4668E+01 1.6630E+01 H1 3707 1.008000 0.423800 -1.2334E+01 -1.5121E+01 1.5953E+01 H2 3708 1.008000 0.423800 -1.2351E+01 -1.4354E+01 1.7394E+01 O6 3709 15.999400 -0.847600 -1.1439E+01 1.7769E+01 3.3322E+00 H1 3710 1.008000 0.423800 -1.1409E+01 1.7614E+01 4.3198E+00 H2 3711 1.008000 0.423800 -1.2355E+01 1.7558E+01 2.9902E+00 O6 3712 15.999400 -0.847600 3.4586E+00 1.7879E+01 1.8033E+01 H1 3713 1.008000 0.423800 3.6559E+00 1.7004E+01 1.8474E+01 H2 3714 1.008000 0.423800 4.1392E+00 1.8555E+01 1.8315E+01 O6 3715 15.999400 -0.847600 -1.0998E+01 1.7895E+01 6.0830E+00 H1 3716 1.008000 0.423800 -1.1294E+01 1.7488E+01 6.9470E+00 H2 3717 1.008000 0.423800 -1.0360E+01 1.8643E+01 6.2682E+00 O6 3718 15.999400 -0.847600 6.7821E+00 1.4794E+01 1.1697E+01 H1 3719 1.008000 0.423800 7.0948E+00 1.5372E+01 1.2452E+01 H2 3720 1.008000 0.423800 7.5466E+00 1.4611E+01 1.1079E+01 O6 3721 15.999400 -0.847600 1.0360E+01 -1.5057E+01 -5.0951E+00 H1 3722 1.008000 0.423800 9.8176E+00 -1.5846E+01 -5.3821E+00 H2 3723 1.008000 0.423800 1.0217E+01 -1.4891E+01 -4.1193E+00 O6 3724 15.999400 -0.847600 -1.7513E+00 -9.6037E+00 2.9296E+00 H1 3725 1.008000 0.423800 -1.6681E+00 -9.6273E+00 1.9334E+00 H2 3726 1.008000 0.423800 -1.4122E+00 -8.7274E+00 3.2717E+00 O6 3727 15.999400 -0.847600 -7.6141E+00 -1.7784E+01 -1.4945E+01 H1 3728 1.008000 0.423800 -8.1795E+00 -1.7014E+01 -1.5243E+01 H2 3729 1.008000 0.423800 -8.1078E+00 -1.8639E+01 -1.5099E+01 O6 3730 15.999400 -0.847600 7.4573E+00 8.5832E-02 1.8698E+01 H1 3731 1.008000 0.423800 7.1945E+00 9.3892E-01 1.9149E+01 H2 3732 1.008000 0.423800 8.4288E+00 -8.9608E-02 1.8857E+01 O6 3733 15.999400 -0.847600 -1.6092E+01 1.8957E+01 1.7538E+00 H1 3734 1.008000 0.423800 -1.6607E+01 1.8530E+01 1.0104E+00 H2 3735 1.008000 0.423800 -1.6715E+01 1.9188E+01 2.5009E+00 O6 3736 15.999400 -0.847600 1.1842E+01 2.9656E+00 6.9014E+00 H1 3737 1.008000 0.423800 1.2616E+01 3.2881E+00 6.3573E+00 H2 3738 1.008000 0.423800 1.1444E+01 2.1572E+00 6.4678E+00 O6 3739 15.999400 -0.847600 1.6663E+01 -1.4013E+01 5.5147E-01 H1 3740 1.008000 0.423800 1.6178E+01 -1.3145E+01 4.3980E-01 H2 3741 1.008000 0.423800 1.6466E+01 -1.4608E+01 -2.2771E-01 O6 3742 15.999400 -0.847600 4.9126E+00 -1.4576E+01 5.6641E+00 H1 3743 1.008000 0.423800 5.8191E+00 -1.4977E+01 5.7938E+00 H2 3744 1.008000 0.423800 4.2627E+00 -1.5012E+01 6.2864E+00 O6 3745 15.999400 -0.847600 -1.3804E+01 -7.5229E+00 6.6117E+00 H1 3746 1.008000 0.423800 -1.3942E+01 -7.3195E+00 5.6423E+00 H2 3747 1.008000 0.423800 -1.4691E+01 -7.6547E+00 7.0536E+00 O6 3748 15.999400 -0.847600 4.4838E+00 1.1293E+01 -1.6687E+01 H1 3749 1.008000 0.423800 4.8621E+00 1.2042E+01 -1.6144E+01 H2 3750 1.008000 0.423800 4.3327E+00 1.0498E+01 -1.6099E+01 O6 3751 15.999400 -0.847600 -8.1387E+00 1.4785E+01 4.8719E+00 H1 3752 1.008000 0.423800 -8.7705E+00 1.4871E+01 5.6423E+00 H2 3753 1.008000 0.423800 -8.6209E+00 1.4993E+01 4.0209E+00 O6 3754 15.999400 -0.847600 1.2141E+01 2.0824E+00 1.8537E+01 H1 3755 1.008000 0.423800 1.1523E+01 2.1854E+00 1.7757E+01 H2 3756 1.008000 0.423800 1.2040E+01 2.8670E+00 1.9148E+01 O6 3757 15.999400 -0.847600 -1.6251E+01 -8.2118E+00 8.7239E+00 H1 3758 1.008000 0.423800 -1.6057E+01 -9.1547E+00 8.4532E+00 H2 3759 1.008000 0.423800 -1.6451E+01 -7.6659E+00 7.9102E+00 O6 3760 15.999400 -0.847600 1.6784E+01 1.4987E+01 -1.8980E+00 H1 3761 1.008000 0.423800 1.6580E+01 1.5393E+01 -1.0073E+00 H2 3762 1.008000 0.423800 1.7765E+01 1.5061E+01 -2.0812E+00 O6 3763 15.999400 -0.847600 -8.5299E+00 -1.8369E+01 -1.0207E+01 H1 3764 1.008000 0.423800 -9.0570E+00 -1.8869E+01 -1.0894E+01 H2 3765 1.008000 0.423800 -8.3439E+00 -1.8969E+01 -9.4286E+00 O6 3766 15.999400 -0.847600 6.7024E+00 -6.5290E-01 1.9690E+00 H1 3767 1.008000 0.423800 6.0406E+00 -7.9551E-01 2.7051E+00 H2 3768 1.008000 0.423800 7.2715E+00 1.4138E-01 2.1818E+00 O6 3769 15.999400 -0.847600 2.3295E+00 1.0443E+01 3.4731E+00 H1 3770 1.008000 0.423800 1.7712E+00 9.9178E+00 4.1157E+00 H2 3771 1.008000 0.423800 2.0644E+00 1.1406E+01 3.5110E+00 O6 3772 15.999400 -0.847600 -1.2466E+01 4.9701E+00 1.9065E+01 H1 3773 1.008000 0.423800 -1.2656E+01 4.7030E+00 -1.9088E+01 H2 3774 1.008000 0.423800 -1.1965E+01 4.2367E+00 1.8605E+01 O6 3775 15.999400 -0.847600 -1.4656E+01 1.6217E+00 -7.3163E+00 H1 3776 1.008000 0.423800 -1.4115E+01 1.0785E+00 -7.9591E+00 H2 3777 1.008000 0.423800 -1.4165E+01 1.6958E+00 -6.4482E+00 O6 3778 15.999400 -0.847600 5.3556E+00 -1.2388E+01 1.9228E+01 H1 3779 1.008000 0.423800 5.5965E+00 -1.2743E+01 -1.8967E+01 H2 3780 1.008000 0.423800 6.1555E+00 -1.2430E+01 1.8629E+01 O6 3781 15.999400 -0.847600 2.9524E+00 -6.0857E+00 -6.2551E-01 H1 3782 1.008000 0.423800 3.1331E+00 -5.1050E+00 -5.5008E-01 H2 3783 1.008000 0.423800 3.8178E+00 -6.5776E+00 -7.2080E-01 O6 3784 15.999400 -0.847600 -1.5034E+01 -1.2186E+01 -5.1338E+00 H1 3785 1.008000 0.423800 -1.5589E+01 -1.2841E+01 -4.6216E+00 H2 3786 1.008000 0.423800 -1.5352E+01 -1.1257E+01 -4.9400E+00 O6 3787 15.999400 -0.847600 -1.5883E+01 1.6773E+01 -2.4469E+00 H1 3788 1.008000 0.423800 -1.4944E+01 1.6483E+01 -2.2643E+00 H2 3789 1.008000 0.423800 -1.5891E+01 1.7409E+01 -3.2189E+00 O6 3790 15.999400 -0.847600 -6.4146E+00 7.8190E+00 1.4051E+01 H1 3791 1.008000 0.423800 -5.5744E+00 8.3020E+00 1.3804E+01 H2 3792 1.008000 0.423800 -6.5751E+00 7.9104E+00 1.5034E+01 O6 3793 15.999400 -0.847600 -1.4320E+01 -4.5403E+00 1.5370E+01 H1 3794 1.008000 0.423800 -1.5128E+01 -3.9769E+00 1.5200E+01 H2 3795 1.008000 0.423800 -1.4536E+01 -5.2352E+00 1.6056E+01 O6 3796 15.999400 -0.847600 -5.0521E+00 6.7579E+00 1.8479E+01 H1 3797 1.008000 0.423800 -5.2597E+00 7.2710E+00 1.9312E+01 H2 3798 1.008000 0.423800 -5.2167E+00 5.7844E+00 1.8638E+01 O6 3799 15.999400 -0.847600 8.1460E+00 -4.1692E+00 1.0959E+01 H1 3800 1.008000 0.423800 7.9627E+00 -3.2022E+00 1.0782E+01 H2 3801 1.008000 0.423800 8.1067E+00 -4.3412E+00 1.1943E+01 O6 3802 15.999400 -0.847600 1.8386E+01 -9.2140E+00 -7.6305E+00 H1 3803 1.008000 0.423800 1.8527E+01 -9.5336E+00 -6.6935E+00 H2 3804 1.008000 0.423800 1.9000E+01 -9.7074E+00 -8.2468E+00 O6 3805 15.999400 -0.847600 -5.1663E+00 4.3156E-01 -5.4645E+00 H1 3806 1.008000 0.423800 -5.0223E+00 1.1664E+00 -6.1273E+00 H2 3807 1.008000 0.423800 -5.9068E+00 -1.6166E-01 -5.7803E+00 O6 3808 15.999400 -0.847600 -1.4969E+01 -1.3771E+01 -1.3870E+01 H1 3809 1.008000 0.423800 -1.4966E+01 -1.2799E+01 -1.4108E+01 H2 3810 1.008000 0.423800 -1.4222E+01 -1.3960E+01 -1.3233E+01 O6 3811 15.999400 -0.847600 -9.1573E-01 1.1985E+01 -1.4084E+01 H1 3812 1.008000 0.423800 -9.5350E-01 1.1040E+01 -1.4409E+01 H2 3813 1.008000 0.423800 -9.1430E-01 1.1994E+01 -1.3084E+01 O6 3814 15.999400 -0.847600 -1.5957E+01 -1.7513E+01 7.5353E+00 H1 3815 1.008000 0.423800 -1.5455E+01 -1.7049E+01 8.2656E+00 H2 3816 1.008000 0.423800 -1.6625E+01 -1.6883E+01 7.1380E+00 O6 3817 15.999400 -0.847600 -1.2066E+01 -1.5557E+01 5.2346E+00 H1 3818 1.008000 0.423800 -1.1243E+01 -1.6119E+01 5.1522E+00 H2 3819 1.008000 0.423800 -1.2339E+01 -1.5232E+01 4.3295E+00 O6 3820 15.999400 -0.847600 -1.5425E+01 -8.3800E+00 1.1332E+01 H1 3821 1.008000 0.423800 -1.5667E+01 -8.2835E+00 1.0367E+01 H2 3822 1.008000 0.423800 -1.5908E+01 -9.1647E+00 1.1720E+01 O6 3823 15.999400 -0.847600 1.8093E+01 -3.6218E+00 -1.8923E+01 H1 3824 1.008000 0.423800 1.8943E+01 -4.1011E+00 -1.8705E+01 H2 3825 1.008000 0.423800 1.8303E+01 -2.7901E+00 -1.9437E+01 O6 3826 15.999400 -0.847600 5.8398E+00 -1.4702E+01 1.3829E+01 H1 3827 1.008000 0.423800 5.5736E+00 -1.4330E+01 1.2939E+01 H2 3828 1.008000 0.423800 6.8082E+00 -1.4951E+01 1.3809E+01 O6 3829 15.999400 -0.847600 3.6084E+00 -3.8861E+00 1.2053E+01 H1 3830 1.008000 0.423800 4.0968E+00 -3.1603E+00 1.2537E+01 H2 3831 1.008000 0.423800 3.6936E+00 -3.7445E+00 1.1066E+01 O6 3832 15.999400 -0.847600 -1.0667E+01 2.8942E+00 1.0101E+01 H1 3833 1.008000 0.423800 -1.1423E+01 3.5396E+00 1.0211E+01 H2 3834 1.008000 0.423800 -1.0366E+01 2.5775E+00 1.1000E+01 O6 3835 15.999400 -0.847600 1.9011E+00 9.9892E+00 -5.5882E+00 H1 3836 1.008000 0.423800 2.6086E+00 9.5003E+00 -6.0985E+00 H2 3837 1.008000 0.423800 2.1585E+00 1.0951E+01 -5.5002E+00 O6 3838 15.999400 -0.847600 -1.3932E+01 1.7803E+01 -1.4339E+01 H1 3839 1.008000 0.423800 -1.3624E+01 1.7008E+01 -1.4861E+01 H2 3840 1.008000 0.423800 -1.4849E+01 1.8065E+01 -1.4640E+01 O6 3841 15.999400 -0.847600 -8.7086E+00 9.2335E+00 8.1865E+00 H1 3842 1.008000 0.423800 -7.9802E+00 9.1046E+00 8.8594E+00 H2 3843 1.008000 0.423800 -9.5627E+00 8.8552E+00 8.5434E+00 O6 3844 15.999400 -0.847600 5.7280E-01 8.4096E+00 -1.6313E+01 H1 3845 1.008000 0.423800 4.7921E-01 7.7343E+00 -1.7044E+01 H2 3846 1.008000 0.423800 9.2679E-01 7.9636E+00 -1.5491E+01 O6 3847 15.999400 -0.847600 1.3877E+01 -1.3166E+01 4.5967E-01 H1 3848 1.008000 0.423800 1.3517E+01 -1.2810E+01 -4.0289E-01 H2 3849 1.008000 0.423800 1.3483E+01 -1.2653E+01 1.2221E+00 O6 3850 15.999400 -0.847600 6.3500E+00 8.5310E+00 -1.3674E+01 H1 3851 1.008000 0.423800 5.9776E+00 7.7691E+00 -1.4204E+01 H2 3852 1.008000 0.423800 5.6020E+00 9.1155E+00 -1.3359E+01 O6 3853 15.999400 -0.847600 -8.9827E+00 -9.6414E+00 1.0149E+01 H1 3854 1.008000 0.423800 -8.4315E+00 -1.0445E+01 1.0376E+01 H2 3855 1.008000 0.423800 -9.6551E+00 -9.4840E+00 1.0872E+01 O6 3856 15.999400 -0.847600 -7.9790E+00 -4.1931E+00 3.7140E+00 H1 3857 1.008000 0.423800 -7.3046E+00 -4.8029E+00 3.2979E+00 H2 3858 1.008000 0.423800 -8.4863E+00 -4.6887E+00 4.4190E+00 O6 3859 15.999400 -0.847600 1.1797E+00 3.3749E+00 1.3827E+01 H1 3860 1.008000 0.423800 1.1054E+00 3.9768E+00 1.4622E+01 H2 3861 1.008000 0.423800 3.3362E-01 2.8517E+00 1.3725E+01 O6 3862 15.999400 -0.847600 1.7689E+01 -1.6666E+01 -1.5908E+01 H1 3863 1.008000 0.423800 1.8531E+01 -1.6615E+01 -1.6445E+01 H2 3864 1.008000 0.423800 1.7137E+01 -1.5849E+01 -1.6075E+01 O6 3865 15.999400 -0.847600 -6.5170E+00 -6.8778E+00 -1.5908E+01 H1 3866 1.008000 0.423800 -6.3764E+00 -5.9121E+00 -1.5690E+01 H2 3867 1.008000 0.423800 -7.3314E+00 -6.9751E+00 -1.6481E+01 O6 3868 15.999400 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1.0076E+01 -4.0550E+00 H2 3885 1.008000 0.423800 -2.0344E+00 1.1440E+01 -3.2017E+00 O6 3886 15.999400 -0.847600 1.4181E+01 1.8355E+01 -1.6012E+01 H1 3887 1.008000 0.423800 1.4299E+01 1.7771E+01 -1.6814E+01 H2 3888 1.008000 0.423800 1.4990E+01 1.8932E+01 -1.5898E+01 O6 3889 15.999400 -0.847600 -1.0422E+01 1.6870E+01 -1.0612E+01 H1 3890 1.008000 0.423800 -1.1391E+01 1.6865E+01 -1.0365E+01 H2 3891 1.008000 0.423800 -9.8697E+00 1.7023E+01 -9.7923E+00 O6 3892 15.999400 -0.847600 1.5492E+01 -1.0110E+01 1.4687E+01 H1 3893 1.008000 0.423800 1.5348E+01 -1.0478E+01 1.5606E+01 H2 3894 1.008000 0.423800 1.4989E+01 -1.0664E+01 1.4024E+01 O6 3895 15.999400 -0.847600 1.4620E+01 6.8347E+00 -1.2561E+01 H1 3896 1.008000 0.423800 1.5418E+01 6.8897E+00 -1.1961E+01 H2 3897 1.008000 0.423800 1.3866E+01 7.3577E+00 -1.2163E+01 O6 3898 15.999400 -0.847600 1.1663E+01 -3.0109E-02 -1.1270E+01 H1 3899 1.008000 0.423800 1.1167E+01 1.3453E-01 -1.0418E+01 H2 3900 1.008000 0.423800 1.2366E+01 -7.2470E-01 -1.1118E+01 O6 3901 15.999400 -0.847600 1.1557E+01 -7.1743E+00 -1.1077E+00 H1 3902 1.008000 0.423800 1.0623E+01 -7.2026E+00 -7.5053E-01 H2 3903 1.008000 0.423800 1.2182E+01 -6.8814E+00 -3.8408E-01 O6 3904 15.999400 -0.847600 -3.9045E+00 2.5697E+00 1.3805E+01 H1 3905 1.008000 0.423800 -4.6792E+00 2.6003E+00 1.4437E+01 H2 3906 1.008000 0.423800 -3.9951E+00 3.3025E+00 1.3131E+01 O6 3907 15.999400 -0.847600 1.2375E+01 1.1641E+01 3.1252E+00 H1 3908 1.008000 0.423800 1.2183E+01 1.2473E+01 3.6456E+00 H2 3909 1.008000 0.423800 1.2140E+01 1.1787E+01 2.1643E+00 O6 3910 15.999400 -0.847600 5.4445E+00 -1.9061E+00 -1.8249E-01 H1 3911 1.008000 0.423800 6.0525E+00 -2.6228E+00 -5.2384E-01 H2 3912 1.008000 0.423800 5.7880E+00 -1.5667E+00 6.9318E-01 O6 3913 15.999400 -0.847600 -6.2108E+00 -1.5876E+01 -1.3496E+01 H1 3914 1.008000 0.423800 -6.5619E+00 -1.5884E+01 -1.2560E+01 H2 3915 1.008000 0.423800 -6.6281E+00 -1.6622E+01 -1.4015E+01 O6 3916 15.999400 -0.847600 2.5374E+00 9.1857E-01 2.7698E+00 H1 3917 1.008000 0.423800 3.3497E+00 1.5014E+00 2.7457E+00 H2 3918 1.008000 0.423800 1.8945E+00 1.2135E+00 2.0629E+00 O6 3919 15.999400 -0.847600 -9.6395E+00 -8.9899E+00 -1.5952E+01 H1 3920 1.008000 0.423800 -8.7783E+00 -9.4473E+00 -1.5730E+01 H2 3921 1.008000 0.423800 -1.0110E+01 -9.4972E+00 -1.6674E+01 O6 3922 15.999400 -0.847600 -1.4738E+01 8.0034E-01 -1.2413E+00 H1 3923 1.008000 0.423800 -1.4946E+01 8.7002E-01 -2.6564E-01 H2 3924 1.008000 0.423800 -1.5495E+01 1.1812E+00 -1.7716E+00 O6 3925 15.999400 -0.847600 -7.8877E-01 -1.4558E+01 1.1881E+01 H1 3926 1.008000 0.423800 -3.6942E-02 -1.4595E+01 1.2539E+01 H2 3927 1.008000 0.423800 -4.6269E-01 -1.4861E+01 1.0985E+01 O6 3928 15.999400 -0.847600 -1.6428E+01 1.5095E+01 -1.2030E+01 H1 3929 1.008000 0.423800 -1.5659E+01 1.5035E+01 -1.2667E+01 H2 3930 1.008000 0.423800 -1.7203E+01 1.4577E+01 -1.2393E+01 O6 3931 15.999400 -0.847600 3.8964E+00 5.8829E+00 -1.9496E+00 H1 3932 1.008000 0.423800 3.9484E+00 5.0880E+00 -1.3451E+00 H2 3933 1.008000 0.423800 2.9480E+00 6.1938E+00 -2.0105E+00 O6 3934 15.999400 -0.847600 -1.6608E+01 4.8131E+00 3.0885E+00 H1 3935 1.008000 0.423800 -1.5992E+01 4.3389E+00 3.7184E+00 H2 3936 1.008000 0.423800 -1.6423E+01 5.7954E+00 3.1185E+00 O6 3937 15.999400 -0.847600 -5.9610E+00 4.2099E+00 1.9062E+01 H1 3938 1.008000 0.423800 -5.4536E+00 3.4757E+00 1.8610E+01 H2 3939 1.008000 0.423800 -6.8957E+00 4.2356E+00 1.8707E+01 O6 3940 15.999400 -0.847600 -1.3266E+01 -7.8235E+00 -4.2049E+00 H1 3941 1.008000 0.423800 -1.3296E+01 -8.8169E+00 -4.0940E+00 H2 3942 1.008000 0.423800 -1.3522E+01 -7.5849E+00 -5.1416E+00 O6 3943 15.999400 -0.847600 -1.2876E+01 -1.4347E+01 7.7820E+00 H1 3944 1.008000 0.423800 -1.2341E+01 -1.4627E+01 6.9851E+00 H2 3945 1.008000 0.423800 -1.3565E+01 -1.3677E+01 7.5024E+00 O6 3946 15.999400 -0.847600 -1.9460E+01 1.3940E+01 6.4600E+00 H1 3947 1.008000 0.423800 1.9434E+01 1.2973E+01 6.3061E+00 H2 3948 1.008000 0.423800 -1.9191E+01 1.4365E+01 5.5958E+00 O6 3949 15.999400 -0.847600 8.9871E+00 1.4448E+01 1.0063E+01 H1 3950 1.008000 0.423800 9.9383E+00 1.4740E+01 1.0165E+01 H2 3951 1.008000 0.423800 8.7810E+00 1.4316E+01 9.0934E+00 O6 3952 15.999400 -0.847600 -1.0956E+01 -1.2281E+01 -2.8535E-01 H1 3953 1.008000 0.423800 -1.1434E+01 -1.1972E+01 -1.1076E+00 H2 3954 1.008000 0.423800 -9.9699E+00 -1.2269E+01 -4.4928E-01 O6 3955 15.999400 -0.847600 -1.7943E+01 -1.5323E+01 7.4157E+00 H1 3956 1.008000 0.423800 -1.7775E+01 -1.5265E+01 8.3998E+00 H2 3957 1.008000 0.423800 -1.7684E+01 -1.4460E+01 6.9818E+00 O6 3958 15.999400 -0.847600 1.4451E+01 6.0808E+00 7.5966E+00 H1 3959 1.008000 0.423800 1.4450E+01 5.0923E+00 7.4451E+00 H2 3960 1.008000 0.423800 1.3657E+01 6.3345E+00 8.1482E+00 O6 3961 15.999400 -0.847600 9.6600E+00 -1.6448E+01 -9.8498E+00 H1 3962 1.008000 0.423800 1.0620E+01 -1.6473E+01 -9.5700E+00 H2 3963 1.008000 0.423800 9.3137E+00 -1.5514E+01 -9.7701E+00 O6 3964 15.999400 -0.847600 -7.9793E+00 6.9091E+00 -1.2081E+01 H1 3965 1.008000 0.423800 -8.0353E+00 5.9156E+00 -1.1982E+01 H2 3966 1.008000 0.423800 -8.1705E+00 7.1602E+00 -1.3030E+01 O6 3967 15.999400 -0.847600 1.5541E+01 -1.8843E+01 -1.4463E+01 H1 3968 1.008000 0.423800 1.4922E+01 -1.8187E+01 -1.4031E+01 H2 3969 1.008000 0.423800 1.6363E+01 -1.8368E+01 -1.4778E+01 O6 3970 15.999400 -0.847600 -2.3897E+00 -8.8124E+00 -1.0770E+01 H1 3971 1.008000 0.423800 -1.4562E+00 -8.6304E+00 -1.1079E+01 H2 3972 1.008000 0.423800 -2.6271E+00 -8.1772E+00 -1.0035E+01 O6 3973 15.999400 -0.847600 1.4931E+01 1.7082E+01 -1.1734E+01 H1 3974 1.008000 0.423800 1.4687E+01 1.6847E+01 -1.2675E+01 H2 3975 1.008000 0.423800 1.4134E+01 1.7466E+01 -1.1268E+01 O6 3976 15.999400 -0.847600 -4.4367E+00 1.2753E+01 -1.3891E+01 H1 3977 1.008000 0.423800 -4.3861E+00 1.1811E+01 -1.4222E+01 H2 3978 1.008000 0.423800 -4.7780E+00 1.3345E+01 -1.4620E+01 O6 3979 15.999400 -0.847600 3.4314E+00 -1.9473E+01 1.3593E+01 H1 3980 1.008000 0.423800 3.0654E+00 -1.9345E+01 1.2672E+01 H2 3981 1.008000 0.423800 3.8926E+00 -1.8636E+01 1.3888E+01 O6 3982 15.999400 -0.847600 3.5901E-01 6.7158E+00 -5.7866E+00 H1 3983 1.008000 0.423800 5.9493E-01 6.9206E+00 -6.7366E+00 H2 3984 1.008000 0.423800 -5.5345E-01 7.0722E+00 -5.5856E+00 O6 3985 15.999400 -0.847600 8.6420E+00 -1.3973E+01 -9.7632E+00 H1 3986 1.008000 0.423800 7.7363E+00 -1.4183E+01 -1.0131E+01 H2 3987 1.008000 0.423800 8.6448E+00 -1.3043E+01 -9.3957E+00 O6 3988 15.999400 -0.847600 -1.2764E+01 6.5600E+00 -4.1184E+00 H1 3989 1.008000 0.423800 -1.2245E+01 6.5759E+00 -3.2634E+00 H2 3990 1.008000 0.423800 -1.2816E+01 5.6213E+00 -4.4590E+00 O6 3991 15.999400 -0.847600 -1.5636E+01 -1.2005E+01 -1.1110E+01 H1 3992 1.008000 0.423800 -1.4805E+01 -1.2560E+01 -1.1085E+01 H2 3993 1.008000 0.423800 -1.5768E+01 -1.1562E+01 -1.0223E+01 O6 3994 15.999400 -0.847600 8.6452E+00 6.8366E-01 -2.9531E+00 H1 3995 1.008000 0.423800 8.0033E+00 1.9113E-01 -3.5409E+00 H2 3996 1.008000 0.423800 8.3961E+00 1.6517E+00 -2.9253E+00 O6 3997 15.999400 -0.847600 1.1929E+01 7.3876E-01 3.6944E-01 H1 3998 1.008000 0.423800 1.1704E+01 4.8412E-01 -5.7104E-01 H2 3999 1.008000 0.423800 1.1930E+01 1.7352E+00 4.5393E-01 O6 4000 15.999400 -0.847600 1.1458E+01 1.2897E+00 1.1038E+01 H1 4001 1.008000 0.423800 1.1061E+01 2.1334E+00 1.1399E+01 H2 4002 1.008000 0.423800 1.1531E+01 6.1482E-01 1.1772E+01 O6 4003 15.999400 -0.847600 9.3077E+00 1.3470E+00 -1.7404E+01 H1 4004 1.008000 0.423800 9.0155E+00 9.9673E-01 -1.8294E+01 H2 4005 1.008000 0.423800 1.0253E+01 1.6682E+00 -1.7466E+01 O6 4006 15.999400 -0.847600 -4.3427E+00 1.5771E+01 3.1545E+00 H1 4007 1.008000 0.423800 -4.9576E+00 1.6033E+01 2.4105E+00 H2 4008 1.008000 0.423800 -4.7941E+00 1.5097E+01 3.7382E+00 O6 4009 15.999400 -0.847600 -4.1069E+00 -6.2679E+00 1.1894E+01 H1 4010 1.008000 0.423800 -3.2755E+00 -6.7832E+00 1.2102E+01 H2 4011 1.008000 0.423800 -3.8975E+00 -5.5528E+00 1.1227E+01 O6 4012 15.999400 -0.847600 1.9426E+01 -1.2447E+00 -1.5782E+01 H1 4013 1.008000 0.423800 1.9154E+01 -1.0864E+00 -1.6731E+01 H2 4014 1.008000 0.423800 1.8611E+01 -1.2727E+00 -1.5202E+01 O6 4015 15.999400 -0.847600 -1.3335E+01 -1.8304E+01 1.0684E+01 H1 4016 1.008000 0.423800 -1.3073E+01 -1.8917E+01 1.1430E+01 H2 4017 1.008000 0.423800 -1.3881E+01 -1.8808E+01 1.0015E+01 O6 4018 15.999400 -0.847600 9.0034E+00 1.7099E+00 -1.0949E+01 H1 4019 1.008000 0.423800 9.6579E+00 2.2895E+00 -1.1435E+01 H2 4020 1.008000 0.423800 9.4755E+00 1.2103E+00 -1.0223E+01 O6 4021 15.999400 -0.847600 1.2352E+01 -1.6914E+01 -9.0672E+00 H1 4022 1.008000 0.423800 1.2706E+01 -1.6045E+01 -8.7195E+00 H2 4023 1.008000 0.423800 1.3042E+01 -1.7627E+01 -8.9448E+00 O6 4024 15.999400 -0.847600 1.3203E+01 -1.7598E+01 -1.5915E+00 H1 4025 1.008000 0.423800 1.3231E+01 -1.7689E+01 -2.5870E+00 H2 4026 1.008000 0.423800 1.2713E+01 -1.6762E+01 -1.3467E+00 O6 4027 15.999400 -0.847600 -1.6165E+01 -1.2239E+01 -1.7302E+01 H1 4028 1.008000 0.423800 -1.7004E+01 -1.2783E+01 -1.7322E+01 H2 4029 1.008000 0.423800 -1.6400E+01 -1.1268E+01 -1.7253E+01 O6 4030 15.999400 -0.847600 1.9112E+01 -1.0924E+01 -1.2897E+01 H1 4031 1.008000 0.423800 -1.9001E+01 -1.0748E+01 -1.2917E+01 H2 4032 1.008000 0.423800 1.8911E+01 -1.1750E+01 -1.3422E+01 O6 4033 15.999400 -0.847600 -1.3374E+01 1.1878E+00 -4.5635E+00 H1 4034 1.008000 0.423800 -1.2472E+01 1.1078E+00 -4.1384E+00 H2 4035 1.008000 0.423800 -1.4071E+01 1.2741E+00 -3.8520E+00 O6 4036 15.999400 -0.847600 -1.7469E+01 -5.6142E+00 -2.4184E+00 H1 4037 1.008000 0.423800 -1.7683E+01 -4.8454E+00 -3.0213E+00 H2 4038 1.008000 0.423800 -1.8010E+01 -6.4102E+00 -2.6893E+00 O6 4039 15.999400 -0.847600 -4.4713E+00 -7.8624E+00 8.3440E+00 H1 4040 1.008000 0.423800 -4.2616E+00 -8.3562E+00 9.1879E+00 H2 4041 1.008000 0.423800 -5.4347E+00 -7.5944E+00 8.3453E+00 O6 4042 15.999400 -0.847600 7.1966E+00 -3.9500E+00 -7.6165E-01 H1 4043 1.008000 0.423800 6.8795E+00 -4.4426E+00 4.8815E-02 H2 4044 1.008000 0.423800 7.2715E+00 -4.5857E+00 -1.5299E+00 O6 4045 15.999400 -0.847600 -1.4690E+01 7.1871E+00 -1.7264E+01 H1 4046 1.008000 0.423800 -1.4927E+01 7.2583E+00 -1.6295E+01 H2 4047 1.008000 0.423800 -1.5052E+01 6.3315E+00 -1.7633E+01 O6 4048 15.999400 -0.847600 1.3785E+01 1.5884E+01 -1.4394E+01 H1 4049 1.008000 0.423800 1.2844E+01 1.5887E+01 -1.4058E+01 H2 4050 1.008000 0.423800 1.3844E+01 1.6434E+01 -1.5227E+01 O6 4051 15.999400 -0.847600 1.8271E+01 -1.8902E+00 1.8290E+01 H1 4052 1.008000 0.423800 1.8983E+01 -1.3787E+00 1.7810E+01 H2 4053 1.008000 0.423800 1.7797E+01 -1.2826E+00 1.8928E+01 O6 4054 15.999400 -0.847600 7.5982E-01 1.3575E+01 1.0036E+01 H1 4055 1.008000 0.423800 1.0282E+00 1.3850E+01 1.0960E+01 H2 4056 1.008000 0.423800 1.3235E+00 1.2804E+01 9.7408E+00 O6 4057 15.999400 -0.847600 -1.3949E+01 -6.1855E-01 -1.1462E+01 H1 4058 1.008000 0.423800 -1.3391E+01 -8.5065E-02 -1.2098E+01 H2 4059 1.008000 0.423800 -1.4798E+01 -1.2587E-01 -1.1269E+01 O6 4060 15.999400 -0.847600 1.6660E+01 1.7129E+01 1.9101E+01 H1 4061 1.008000 0.423800 1.6726E+01 1.8127E+01 1.9063E+01 H2 4062 1.008000 0.423800 1.7182E+01 1.6791E+01 -1.9214E+01 O6 4063 15.999400 -0.847600 -2.1477E+00 1.3401E+01 -3.0945E+00 H1 4064 1.008000 0.423800 -2.6657E+00 1.3870E+01 -2.3794E+00 H2 4065 1.008000 0.423800 -1.3345E+00 1.3936E+01 -3.3229E+00 O6 4066 15.999400 -0.847600 1.4575E+01 8.2425E+00 6.1370E+00 H1 4067 1.008000 0.423800 1.5065E+01 8.8407E+00 6.7714E+00 H2 4068 1.008000 0.423800 1.4483E+01 7.3326E+00 6.5413E+00 O6 4069 15.999400 -0.847600 -1.2613E+01 1.3323E+01 1.7993E+01 H1 4070 1.008000 0.423800 -1.3392E+01 1.3793E+01 1.7577E+01 H2 4071 1.008000 0.423800 -1.2946E+01 1.2630E+01 1.8633E+01 O6 4072 15.999400 -0.847600 2.8516E+00 -1.8551E+01 -1.5286E+01 H1 4073 1.008000 0.423800 3.7932E+00 -1.8254E+01 -1.5445E+01 H2 4074 1.008000 0.423800 2.5494E+00 -1.9125E+01 -1.6046E+01 O6 4075 15.999400 -0.847600 -1.4857E+01 2.9311E+00 -1.1743E+01 H1 4076 1.008000 0.423800 -1.4628E+01 3.9043E+00 -1.1756E+01 H2 4077 1.008000 0.423800 -1.4109E+01 2.4068E+00 -1.2149E+01 O6 4078 15.999400 -0.847600 1.0549E+00 -3.1097E+00 1.3988E+01 H1 4079 1.008000 0.423800 1.7842E-01 -3.1628E+00 1.4467E+01 H2 4080 1.008000 0.423800 1.7988E+00 -3.0922E+00 1.4656E+01 O6 4081 15.999400 -0.847600 -4.3846E+00 1.5932E+01 1.5143E+01 H1 4082 1.008000 0.423800 -4.3601E+00 1.5119E+01 1.5724E+01 H2 4083 1.008000 0.423800 -4.8059E+00 1.5702E+01 1.4265E+01 O6 4084 15.999400 -0.847600 1.2075E+01 3.5283E+00 -2.0624E-02 H1 4085 1.008000 0.423800 1.1639E+01 3.6766E+00 -9.0871E-01 H2 4086 1.008000 0.423800 1.2857E+01 4.1442E+00 7.4284E-02 O6 4087 15.999400 -0.847600 1.8152E+01 9.9739E+00 8.6829E+00 H1 4088 1.008000 0.423800 1.7764E+01 9.0598E+00 8.8015E+00 H2 4089 1.008000 0.423800 1.7518E+01 1.0655E+01 9.0479E+00 O6 4090 15.999400 -0.847600 -1.4867E+01 -8.9871E+00 1.4510E+00 H1 4091 1.008000 0.423800 -1.3989E+01 -8.5929E+00 1.1786E+00 H2 4092 1.008000 0.423800 -1.5599E+01 -8.3345E+00 1.2579E+00 O6 4093 15.999400 -0.847600 -3.9464E+00 -1.1033E+01 1.3228E+01 H1 4094 1.008000 0.423800 -3.0182E+00 -1.1358E+01 1.3046E+01 H2 4095 1.008000 0.423800 -4.6063E+00 -1.1704E+01 1.2890E+01 O6 4096 15.999400 -0.847600 -5.9095E+00 2.4280E+00 1.5691E+01 H1 4097 1.008000 0.423800 -6.0059E+00 3.4122E+00 1.5542E+01 H2 4098 1.008000 0.423800 -6.8128E+00 1.9992E+00 1.5680E+01 O6 4099 15.999400 -0.847600 1.3900E+01 1.4782E+00 2.8560E+00 H1 4100 1.008000 0.423800 1.3095E+01 2.0617E+00 2.7523E+00 H2 4101 1.008000 0.423800 1.4552E+01 1.6763E+00 2.1237E+00 O6 4102 15.999400 -0.847600 2.8937E+00 -1.3424E+01 1.6727E+01 H1 4103 1.008000 0.423800 2.8231E+00 -1.2959E+01 1.7610E+01 H2 4104 1.008000 0.423800 3.8443E+00 -1.3408E+01 1.6417E+01 O6 4105 15.999400 -0.847600 1.2740E+01 -4.9598E+00 9.5374E+00 H1 4106 1.008000 0.423800 1.3354E+01 -4.2031E+00 9.7595E+00 H2 4107 1.008000 0.423800 1.2211E+01 -4.7305E+00 8.7203E+00 O6 4108 15.999400 -0.847600 -1.5105E+01 5.0254E+00 1.1516E+01 H1 4109 1.008000 0.423800 -1.5142E+01 5.9849E+00 1.1796E+01 H2 4110 1.008000 0.423800 -1.4716E+01 4.4772E+00 1.2256E+01 O6 4111 15.999400 -0.847600 -1.8497E+01 -8.6641E+00 1.3459E+01 H1 4112 1.008000 0.423800 -1.8966E+01 -8.8594E+00 1.4321E+01 H2 4113 1.008000 0.423800 -1.7801E+01 -7.9616E+00 1.3611E+01 O6 4114 15.999400 -0.847600 -6.1482E+00 1.8042E+00 -1.4827E+01 H1 4115 1.008000 0.423800 -6.7774E+00 1.4369E+00 -1.5512E+01 H2 4116 1.008000 0.423800 -5.9669E+00 1.1072E+00 -1.4133E+01 O6 4117 15.999400 -0.847600 -5.1358E+00 6.8765E+00 9.2519E+00 H1 4118 1.008000 0.423800 -5.1701E+00 7.7824E+00 8.8299E+00 H2 4119 1.008000 0.423800 -4.6996E+00 6.9431E+00 1.0149E+01 O6 4120 15.999400 -0.847600 5.9396E+00 7.0754E+00 -1.5799E+01 H1 4121 1.008000 0.423800 5.4529E+00 7.7955E+00 -1.6293E+01 H2 4122 1.008000 0.423800 5.7790E+00 6.1961E+00 -1.6247E+01 O6 4123 15.999400 -0.847600 4.3251E+00 -3.8438E-01 1.4500E+01 H1 4124 1.008000 0.423800 3.5550E+00 -5.1469E-02 1.3956E+01 H2 4125 1.008000 0.423800 4.8412E+00 3.9370E-01 1.4858E+01 O6 4126 15.999400 -0.847600 1.7384E+01 6.4784E+00 1.1104E+01 H1 4127 1.008000 0.423800 1.8278E+01 6.2851E+00 1.0699E+01 H2 4128 1.008000 0.423800 1.7462E+01 7.2557E+00 1.1729E+01 O6 4129 15.999400 -0.847600 -1.2775E+00 1.4673E+01 7.1387E+00 H1 4130 1.008000 0.423800 -1.3459E+00 1.4506E+01 8.1222E+00 H2 4131 1.008000 0.423800 -8.0063E-01 1.5538E+01 6.9803E+00 O6 4132 15.999400 -0.847600 1.2745E+01 1.2105E+01 -6.6195E+00 H1 4133 1.008000 0.423800 1.2652E+01 1.1149E+01 -6.8999E+00 H2 4134 1.008000 0.423800 1.2065E+01 1.2661E+01 -7.0975E+00 O6 4135 15.999400 -0.847600 -3.6601E+00 -1.2763E+01 -5.9091E+00 H1 4136 1.008000 0.423800 -4.0970E+00 -1.1892E+01 -5.6843E+00 H2 4137 1.008000 0.423800 -2.7244E+00 -1.2767E+01 -5.5563E+00 O6 4138 15.999400 -0.847600 1.4355E+01 1.1659E+01 1.5028E+01 H1 4139 1.008000 0.423800 1.5287E+01 1.1849E+01 1.5336E+01 H2 4140 1.008000 0.423800 1.4302E+01 1.0721E+01 1.4685E+01 O6 4141 15.999400 -0.847600 -3.7145E-01 5.8391E+00 -1.1780E+01 H1 4142 1.008000 0.423800 -1.2323E+00 5.5944E+00 -1.1333E+01 H2 4143 1.008000 0.423800 3.8935E-01 5.6640E+00 -1.1155E+01 O6 4144 15.999400 -0.847600 -1.0505E+01 -8.2925E+00 1.2488E+01 H1 4145 1.008000 0.423800 -9.9628E+00 -7.8218E+00 1.1792E+01 H2 4146 1.008000 0.423800 -1.1463E+01 -8.0181E+00 1.2407E+01 O6 4147 15.999400 -0.847600 -6.2237E+00 1.2499E+01 1.6186E+01 H1 4148 1.008000 0.423800 -6.8097E+00 1.3307E+01 1.6255E+01 H2 4149 1.008000 0.423800 -6.3431E+00 1.2078E+01 1.5287E+01 O6 4150 15.999400 -0.847600 -1.8413E+01 -9.9712E+00 1.0593E+01 H1 4151 1.008000 0.423800 -1.8612E+01 -9.6025E+00 1.1501E+01 H2 4152 1.008000 0.423800 -1.7543E+01 -1.0465E+01 1.0617E+01 O6 4153 15.999400 -0.847600 7.3564E-01 7.5045E+00 8.0901E-01 H1 4154 1.008000 0.423800 1.0101E+00 7.4013E+00 1.7651E+00 H2 4155 1.008000 0.423800 7.3008E-01 8.4747E+00 5.6680E-01 O6 4156 15.999400 -0.847600 1.4614E+01 1.1749E+00 -1.3861E+00 H1 4157 1.008000 0.423800 1.5028E+01 1.5609E+00 -5.6171E-01 H2 4158 1.008000 0.423800 1.3659E+01 1.4655E+00 -1.4466E+00 O6 4159 15.999400 -0.847600 1.2006E+01 -1.8121E+01 -1.4724E+01 H1 4160 1.008000 0.423800 1.2533E+01 -1.7512E+01 -1.4131E+01 H2 4161 1.008000 0.423800 1.2094E+01 -1.9062E+01 -1.4399E+01 O6 4162 15.999400 -0.847600 1.7239E+01 -1.2559E+00 -1.3565E+01 H1 4163 1.008000 0.423800 1.6433E+01 -7.1910E-01 -1.3316E+01 H2 4164 1.008000 0.423800 1.6990E+01 -2.2228E+00 -1.3624E+01 O6 4165 15.999400 -0.847600 4.7988E+00 5.1009E+00 2.7850E+00 H1 4166 1.008000 0.423800 4.6137E+00 6.0746E+00 2.6516E+00 H2 4167 1.008000 0.423800 4.6771E+00 4.8677E+00 3.7498E+00 O6 4168 15.999400 -0.847600 1.0463E+01 -4.0683E+00 -1.9120E+01 H1 4169 1.008000 0.423800 1.0217E+01 -3.9615E+00 1.9014E+01 H2 4170 1.008000 0.423800 1.0895E+01 -3.2287E+00 -1.8791E+01 O6 4171 15.999400 -0.847600 1.7838E+01 -1.8445E+01 -1.1183E+01 H1 4172 1.008000 0.423800 1.7773E+01 -1.9426E+01 -1.1365E+01 H2 4173 1.008000 0.423800 1.8278E+01 -1.7990E+01 -1.1957E+01 O6 4174 15.999400 -0.847600 4.0667E+00 2.3323E+00 -1.2715E+01 H1 4175 1.008000 0.423800 4.9270E+00 2.4555E+00 -1.3210E+01 H2 4176 1.008000 0.423800 4.2468E+00 2.3194E+00 -1.1732E+01 O6 4177 15.999400 -0.847600 2.2567E+00 -1.4868E+01 -7.7695E+00 H1 4178 1.008000 0.423800 3.1126E+00 -1.5349E+01 -7.5806E+00 H2 4179 1.008000 0.423800 2.4523E+00 -1.4025E+01 -8.2706E+00 O6 4180 15.999400 -0.847600 -4.5531E+00 -3.6891E+00 1.5912E+01 H1 4181 1.008000 0.423800 -4.2059E+00 -4.5345E+00 1.5506E+01 H2 4182 1.008000 0.423800 -3.9353E+00 -2.9347E+00 1.5690E+01 O6 4183 15.999400 -0.847600 1.4982E+01 -1.7851E+01 -1.0973E+01 H1 4184 1.008000 0.423800 1.4629E+01 -1.8483E+01 -1.0284E+01 H2 4185 1.008000 0.423800 1.5967E+01 -1.7989E+01 -1.1078E+01 O6 4186 15.999400 -0.847600 1.4591E+01 1.4872E+01 1.5686E+01 H1 4187 1.008000 0.423800 1.3624E+01 1.4698E+01 1.5874E+01 H2 4188 1.008000 0.423800 1.5154E+01 1.4353E+01 1.6329E+01 O6 4189 15.999400 -0.847600 1.8064E+01 -1.6614E+01 -7.4449E-01 H1 4190 1.008000 0.423800 1.7344E+01 -1.7278E+01 -5.4279E-01 H2 4191 1.008000 0.423800 1.7982E+01 -1.6312E+01 -1.6942E+00 O6 4192 15.999400 -0.847600 5.6663E+00 1.5117E+01 -2.0041E+00 H1 4193 1.008000 0.423800 6.0612E+00 1.5552E+01 -2.8133E+00 H2 4194 1.008000 0.423800 4.7856E+00 1.5542E+01 -1.7938E+00 O6 4195 15.999400 -0.847600 -1.6459E+01 -1.2120E+01 1.0910E+01 H1 4196 1.008000 0.423800 -1.6924E+01 -1.2991E+01 1.0753E+01 H2 4197 1.008000 0.423800 -1.5541E+01 -1.2157E+01 1.0514E+01 O6 4198 15.999400 -0.847600 -1.4506E+01 1.0221E+01 -8.1878E+00 H1 4199 1.008000 0.423800 -1.4733E+01 1.1126E+01 -7.8297E+00 H2 4200 1.008000 0.423800 -1.5088E+01 9.5343E+00 -7.7507E+00 O6 4201 15.999400 -0.847600 -6.9867E+00 -1.5584E+00 -8.0199E+00 H1 4202 1.008000 0.423800 -7.1748E+00 -1.7302E+00 -8.9869E+00 H2 4203 1.008000 0.423800 -7.8500E+00 -1.4764E+00 -7.5219E+00 O6 4204 15.999400 -0.847600 3.1801E+00 -7.2081E+00 1.4910E+01 H1 4205 1.008000 0.423800 2.6666E+00 -7.5460E+00 1.5699E+01 H2 4206 1.008000 0.423800 2.5790E+00 -6.6555E+00 1.4333E+01 O6 4207 15.999400 -0.847600 8.7385E-01 1.6264E+01 1.5700E+01 H1 4208 1.008000 0.423800 -3.4300E-02 1.6341E+01 1.6111E+01 H2 4209 1.008000 0.423800 1.3256E+00 1.7155E+01 1.5719E+01 O6 4210 15.999400 -0.847600 1.5022E+01 1.4577E+01 -3.7728E+00 H1 4211 1.008000 0.423800 1.4946E+01 1.3661E+01 -4.1660E+00 H2 4212 1.008000 0.423800 1.5806E+01 1.4610E+01 -3.1528E+00 O6 4213 15.999400 -0.847600 1.5545E+01 -6.8802E-01 1.7602E+01 H1 4214 1.008000 0.423800 1.5255E+01 2.5746E-01 1.7453E+01 H2 4215 1.008000 0.423800 1.6382E+01 -8.6542E-01 1.7084E+01 O6 4216 15.999400 -0.847600 -1.4543E+01 -7.9926E+00 -6.5924E+00 H1 4217 1.008000 0.423800 -1.5516E+01 -7.8325E+00 -6.4235E+00 H2 4218 1.008000 0.423800 -1.4285E+01 -7.5843E+00 -7.4680E+00 O6 4219 15.999400 -0.847600 6.4799E-01 -2.2617E+00 4.9116E+00 H1 4220 1.008000 0.423800 -1.8607E-01 -1.7698E+00 5.1614E+00 H2 4221 1.008000 0.423800 8.6684E-01 -2.9294E+00 5.6231E+00 O6 4222 15.999400 -0.847600 1.6849E+01 3.3845E+00 7.3093E+00 H1 4223 1.008000 0.423800 1.5943E+01 3.1025E+00 6.9935E+00 H2 4224 1.008000 0.423800 1.7025E+01 2.9896E+00 8.2109E+00 O6 4225 15.999400 -0.847600 -1.7837E+00 1.9121E+01 -1.0743E+01 H1 4226 1.008000 0.423800 -1.4081E+00 -1.9289E+01 -1.1364E+01 H2 4227 1.008000 0.423800 -2.5448E+00 1.9516E+01 -1.0228E+01 O6 4228 15.999400 -0.847600 5.0530E+00 -5.8562E+00 -1.5459E+01 H1 4229 1.008000 0.423800 4.9540E+00 -6.4130E+00 -1.4634E+01 H2 4230 1.008000 0.423800 4.2702E+00 -5.2392E+00 -1.5540E+01 O6 4231 15.999400 -0.847600 -1.5388E+01 -5.0356E+00 -4.6725E+00 H1 4232 1.008000 0.423800 -1.6118E+01 -5.7132E+00 -4.5812E+00 H2 4233 1.008000 0.423800 -1.4719E+01 -5.1658E+00 -3.9407E+00 O6 4234 15.999400 -0.847600 8.6400E+00 1.5069E+01 -9.6886E+00 H1 4235 1.008000 0.423800 9.3261E+00 1.5565E+01 -1.0221E+01 H2 4236 1.008000 0.423800 7.8414E+00 1.4887E+01 -1.0262E+01 O6 4237 15.999400 -0.847600 1.4090E+01 -3.6294E+00 8.1767E-01 H1 4238 1.008000 0.423800 1.4755E+01 -3.9368E+00 1.3693E-01 H2 4239 1.008000 0.423800 1.3882E+01 -2.6627E+00 6.6794E-01 O6 4240 15.999400 -0.847600 -1.4628E+01 1.9051E+01 8.7340E+00 H1 4241 1.008000 0.423800 -1.4978E+01 1.8145E+01 8.4977E+00 H2 4242 1.008000 0.423800 -1.5045E+01 -1.9362E+01 8.1359E+00 O6 4243 15.999400 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9.6634E+00 1.2827E+01 -4.4375E+00 H2 4260 1.008000 0.423800 9.2847E+00 1.2751E+01 -2.8509E+00 O6 4261 15.999400 -0.847600 7.7987E-01 -3.4738E+00 -1.1849E+01 H1 4262 1.008000 0.423800 6.4518E-02 -3.6798E+00 -1.1181E+01 H2 4263 1.008000 0.423800 1.5988E+00 -4.0063E+00 -1.1635E+01 O6 4264 15.999400 -0.847600 -3.5059E+00 1.8889E+01 -1.4322E+01 H1 4265 1.008000 0.423800 -3.7685E+00 1.7980E+01 -1.3998E+01 H2 4266 1.008000 0.423800 -4.0669E+00 1.9136E+01 -1.5112E+01 O6 4267 15.999400 -0.847600 -9.6212E+00 -2.7015E-01 4.3739E+00 H1 4268 1.008000 0.423800 -1.0239E+01 -1.0230E+00 4.6014E+00 H2 4269 1.008000 0.423800 -9.7843E+00 2.1489E-02 3.4314E+00 O6 4270 15.999400 -0.847600 1.2136E+01 -1.9352E+01 1.4653E+01 H1 4271 1.008000 0.423800 1.2815E+01 1.9341E+01 1.5265E+01 H2 4272 1.008000 0.423800 1.2173E+01 -1.8356E+01 1.4726E+01 O6 4273 15.999400 -0.847600 -1.0791E+01 9.3156E+00 5.6173E+00 H1 4274 1.008000 0.423800 -1.1273E+01 8.4982E+00 5.3019E+00 H2 4275 1.008000 0.423800 -1.1204E+01 9.6390E+00 6.4682E+00 O6 4276 15.999400 -0.847600 1.7295E+01 1.0260E+01 -1.3172E+01 H1 4277 1.008000 0.423800 1.6583E+01 9.7684E+00 -1.3675E+01 H2 4278 1.008000 0.423800 1.8192E+01 1.0015E+01 -1.3539E+01 O6 4279 15.999400 -0.847600 -4.1354E-03 -1.9088E+01 -8.3962E+00 H1 4280 1.008000 0.423800 2.2924E-02 -1.8091E+01 -8.4592E+00 H2 4281 1.008000 0.423800 -4.6122E-01 -1.9461E+01 -9.2038E+00 O6 4282 15.999400 -0.847600 -1.7842E+01 -1.6962E+01 3.1583E+00 H1 4283 1.008000 0.423800 -1.7693E+01 -1.6772E+01 2.1879E+00 H2 4284 1.008000 0.423800 -1.7853E+01 -1.7951E+01 3.3065E+00 O6 4285 15.999400 -0.847600 7.8366E+00 1.8787E+01 1.7753E+01 H1 4286 1.008000 0.423800 7.8621E+00 1.8114E+01 1.7013E+01 H2 4287 1.008000 0.423800 7.2351E+00 1.9543E+01 1.7495E+01 O6 4288 15.999400 -0.847600 -1.0190E+01 1.4702E+01 6.6660E+00 H1 4289 1.008000 0.423800 -1.0420E+01 1.5052E+01 7.5740E+00 H2 4290 1.008000 0.423800 -1.0933E+01 1.4910E+01 6.0304E+00 O6 4291 15.999400 -0.847600 -1.0519E+00 1.7111E+01 -1.1774E+00 H1 4292 1.008000 0.423800 -1.9067E+00 1.7016E+01 -6.6741E-01 H2 4293 1.008000 0.423800 -1.2549E+00 1.7362E+01 -2.1241E+00 O6 4294 15.999400 -0.847600 -1.5022E+01 -1.4068E+01 1.8095E+01 H1 4295 1.008000 0.423800 -1.5683E+01 -1.4817E+01 1.8151E+01 H2 4296 1.008000 0.423800 -1.4215E+01 -1.4372E+01 1.7589E+01 O6 4297 15.999400 -0.847600 -9.5218E+00 -9.7125E+00 -2.0987E+00 H1 4298 1.008000 0.423800 -1.0042E+01 -1.0408E+01 -2.5946E+00 H2 4299 1.008000 0.423800 -1.0081E+01 -8.8903E+00 -1.9940E+00 O6 4300 15.999400 -0.847600 1.1774E+01 -1.4325E+01 1.8781E+01 H1 4301 1.008000 0.423800 1.2545E+01 -1.3845E+01 1.9201E+01 H2 4302 1.008000 0.423800 1.2099E+01 -1.4858E+01 1.8000E+01 O6 4303 15.999400 -0.847600 1.1536E+01 -1.0712E+01 -2.1425E-01 H1 4304 1.008000 0.423800 1.1859E+01 -1.0041E+01 4.5366E-01 H2 4305 1.008000 0.423800 1.0797E+01 -1.1252E+01 1.8673E-01 O6 4306 15.999400 -0.847600 1.3306E+01 4.1618E+00 1.3080E+01 H1 4307 1.008000 0.423800 1.4064E+01 4.5885E+00 1.2585E+01 H2 4308 1.008000 0.423800 1.3617E+01 3.3050E+00 1.3491E+01 O6 4309 15.999400 -0.847600 7.9243E-01 1.6404E+00 -1.5288E+01 H1 4310 1.008000 0.423800 1.2753E+00 7.8785E-01 -1.5488E+01 H2 4311 1.008000 0.423800 2.9188E-01 1.5459E+00 -1.4427E+01 O6 4312 15.999400 -0.847600 -1.1723E+01 1.0425E+01 8.0347E+00 H1 4313 1.008000 0.423800 -1.0942E+01 1.0581E+01 8.6382E+00 H2 4314 1.008000 0.423800 -1.2401E+01 9.8613E+00 8.5070E+00 O6 4315 15.999400 -0.847600 -8.1619E+00 -1.3169E+01 3.9565E+00 H1 4316 1.008000 0.423800 -8.7560E+00 -1.2641E+01 3.3493E+00 H2 4317 1.008000 0.423800 -8.4404E+00 -1.3021E+01 4.9056E+00 O6 4318 15.999400 -0.847600 1.6806E+01 3.8885E+00 -1.6529E+01 H1 4319 1.008000 0.423800 1.6098E+01 4.3637E+00 -1.6008E+01 H2 4320 1.008000 0.423800 1.6817E+01 2.9221E+00 -1.6273E+01 O6 4321 15.999400 -0.847600 -8.0175E+00 1.3460E+01 9.3070E+00 H1 4322 1.008000 0.423800 -8.5162E+00 1.2677E+01 9.6782E+00 H2 4323 1.008000 0.423800 -8.6280E+00 1.3999E+01 8.7267E+00 O6 4324 15.999400 -0.847600 4.7117E+00 -1.6163E+01 -6.9963E+00 H1 4325 1.008000 0.423800 5.0850E+00 -1.6632E+01 -7.7968E+00 H2 4326 1.008000 0.423800 4.2234E+00 -1.6820E+01 -6.4224E+00 O6 4327 15.999400 -0.847600 9.2360E+00 -2.4839E+00 -1.4865E+00 H1 4328 1.008000 0.423800 8.6391E+00 -2.9714E+00 -8.4923E-01 H2 4329 1.008000 0.423800 8.7480E+00 -1.6973E+00 -1.8648E+00 O6 4330 15.999400 -0.847600 -1.7099E+01 -2.9709E+00 1.5431E+01 H1 4331 1.008000 0.423800 -1.7600E+01 -3.4315E+00 1.6164E+01 H2 4332 1.008000 0.423800 -1.6532E+01 -2.2447E+00 1.5819E+01 O6 4333 15.999400 -0.847600 -1.0433E+01 -1.2342E+01 -1.3826E+01 H1 4334 1.008000 0.423800 -1.0707E+01 -1.1397E+01 -1.3648E+01 H2 4335 1.008000 0.423800 -1.1030E+01 -1.2736E+01 -1.4525E+01 O6 4336 15.999400 -0.847600 -1.0507E+01 1.6680E+01 1.8016E+01 H1 4337 1.008000 0.423800 -9.7623E+00 1.6975E+01 1.8616E+01 H2 4338 1.008000 0.423800 -1.1378E+01 1.7003E+01 1.8384E+01 O6 4339 15.999400 -0.847600 3.0929E+00 7.1360E+00 7.1384E+00 H1 4340 1.008000 0.423800 2.6490E+00 6.2429E+00 7.2113E+00 H2 4341 1.008000 0.423800 2.4481E+00 7.7985E+00 6.7572E+00 O6 4342 15.999400 -0.847600 7.2033E+00 1.4043E+01 1.5171E+01 H1 4343 1.008000 0.423800 6.2779E+00 1.4041E+01 1.5551E+01 H2 4344 1.008000 0.423800 7.8679E+00 1.3959E+01 1.5914E+01 O6 4345 15.999400 -0.847600 -1.8377E+01 1.6965E+01 -4.3914E+00 H1 4346 1.008000 0.423800 -1.9187E+01 1.7328E+01 -4.8512E+00 H2 4347 1.008000 0.423800 -1.7654E+01 1.7656E+01 -4.3948E+00 O6 4348 15.999400 -0.847600 9.3484E+00 -1.4594E+01 1.9020E+00 H1 4349 1.008000 0.423800 8.4836E+00 -1.4909E+01 1.5106E+00 H2 4350 1.008000 0.423800 1.0042E+01 -1.5307E+01 1.7953E+00 O6 4351 15.999400 -0.847600 -9.9330E+00 4.8302E+00 2.0129E+00 H1 4352 1.008000 0.423800 -9.0027E+00 5.1907E+00 2.0820E+00 H2 4353 1.008000 0.423800 -1.0424E+01 5.3119E+00 1.2872E+00 O6 4354 15.999400 -0.847600 6.0429E+00 -7.5088E+00 -1.7606E+01 H1 4355 1.008000 0.423800 5.8880E+00 -6.9126E+00 -1.6818E+01 H2 4356 1.008000 0.423800 6.3913E+00 -8.3920E+00 -1.7292E+01 O6 4357 15.999400 -0.847600 9.7506E+00 -7.8550E+00 1.8715E+01 H1 4358 1.008000 0.423800 9.8122E+00 -7.5037E+00 -1.9448E+01 H2 4359 1.008000 0.423800 1.0657E+01 -8.1421E+00 1.8406E+01 O6 4360 15.999400 -0.847600 2.8287E+00 3.8430E-01 -6.4340E+00 H1 4361 1.008000 0.423800 2.3660E+00 1.2576E+00 -6.5867E+00 H2 4362 1.008000 0.423800 3.6835E+00 5.4198E-01 -5.9397E+00 O6 4363 15.999400 -0.847600 -1.9209E+01 1.1447E+01 1.3507E+01 H1 4364 1.008000 0.423800 1.9289E+01 1.2167E+01 1.3158E+01 H2 4365 1.008000 0.423800 1.9354E+01 1.0805E+01 1.4056E+01 O6 4366 15.999400 -0.847600 6.0357E+00 -7.7249E+00 1.4004E+01 H1 4367 1.008000 0.423800 5.1245E+00 -7.6712E+00 1.4412E+01 H2 4368 1.008000 0.423800 6.4834E+00 -8.5694E+00 1.4298E+01 O6 4369 15.999400 -0.847600 -1.3962E+01 -1.7385E+01 5.4743E+00 H1 4370 1.008000 0.423800 -1.4609E+01 -1.7328E+01 6.2349E+00 H2 4371 1.008000 0.423800 -1.3319E+01 -1.6621E+01 5.5264E+00 O6 4372 15.999400 -0.847600 -4.4753E+00 -9.1187E-01 -1.8543E+01 H1 4373 1.008000 0.423800 -4.0439E+00 -1.5240E+00 -1.9205E+01 H2 4374 1.008000 0.423800 -5.3926E+00 -6.7098E-01 -1.8860E+01 O6 4375 15.999400 -0.847600 -8.2048E+00 3.4716E+00 4.3350E+00 H1 4376 1.008000 0.423800 -8.0611E+00 2.8895E+00 3.5347E+00 H2 4377 1.008000 0.423800 -7.6948E+00 4.3244E+00 4.2228E+00 O6 4378 15.999400 -0.847600 1.8116E-01 4.9483E+00 -8.9654E+00 H1 4379 1.008000 0.423800 2.6005E-01 5.9390E+00 -8.8543E+00 H2 4380 1.008000 0.423800 -1.7556E-01 4.5458E+00 -8.1223E+00 O6 4381 15.999400 -0.847600 -1.8496E+01 -1.0775E+01 7.6671E+00 H1 4382 1.008000 0.423800 -1.8854E+01 -9.9068E+00 7.3249E+00 H2 4383 1.008000 0.423800 -1.8406E+01 -1.0730E+01 8.6620E+00 O6 4384 15.999400 -0.847600 1.8123E+01 -1.6142E+01 -3.3550E+00 H1 4385 1.008000 0.423800 1.8719E+01 -1.6935E+01 -3.4843E+00 H2 4386 1.008000 0.423800 1.8198E+01 -1.5537E+01 -4.1472E+00 O6 4387 15.999400 -0.847600 -2.3671E-01 -9.5239E+00 -6.5204E+00 H1 4388 1.008000 0.423800 2.1531E-01 -9.9733E+00 -7.2909E+00 H2 4389 1.008000 0.423800 7.1506E-02 -9.9395E+00 -5.6647E+00 O6 4390 15.999400 -0.847600 1.0246E+01 1.1034E+01 -1.7369E+01 H1 4391 1.008000 0.423800 1.1242E+01 1.1096E+01 -1.7315E+01 H2 4392 1.008000 0.423800 9.8888E+00 1.1830E+01 -1.7859E+01 O6 4393 15.999400 -0.847600 -1.4107E+00 1.2879E+01 5.0013E+00 H1 4394 1.008000 0.423800 -1.3861E+00 1.3517E+01 5.7706E+00 H2 4395 1.008000 0.423800 -1.0267E+00 1.3320E+01 4.1900E+00 O6 4396 15.999400 -0.847600 2.0640E+00 -9.3795E+00 1.9251E+01 H1 4397 1.008000 0.423800 2.1206E+00 -1.0354E+01 1.9033E+01 H2 4398 1.008000 0.423800 2.8843E+00 -9.1016E+00 -1.9347E+01 O6 4399 15.999400 -0.847600 1.3225E+01 1.5071E+01 -8.2955E+00 H1 4400 1.008000 0.423800 1.4095E+01 1.4810E+01 -7.8774E+00 H2 4401 1.008000 0.423800 1.3086E+01 1.6055E+01 -8.1872E+00 O6 4402 15.999400 -0.847600 9.7692E+00 -1.0859E+01 4.2589E+00 H1 4403 1.008000 0.423800 1.0534E+01 -1.0384E+01 4.6946E+00 H2 4404 1.008000 0.423800 8.9323E+00 -1.0693E+01 4.7803E+00 O6 4405 15.999400 -0.847600 -8.4244E+00 7.5439E-01 6.9334E+00 H1 4406 1.008000 0.423800 -9.1599E+00 1.1889E+00 7.4534E+00 H2 4407 1.008000 0.423800 -8.7860E+00 4.1438E-01 6.0653E+00 O6 4408 15.999400 -0.847600 8.0025E+00 -1.2759E+01 -1.3819E+01 H1 4409 1.008000 0.423800 8.8350E+00 -1.3026E+01 -1.4304E+01 H2 4410 1.008000 0.423800 7.4248E+00 -1.3564E+01 -1.3681E+01 O6 4411 15.999400 -0.847600 -6.9393E+00 -5.9922E+00 -7.0738E+00 H1 4412 1.008000 0.423800 -6.4956E+00 -6.6614E+00 -7.6699E+00 H2 4413 1.008000 0.423800 -6.3638E+00 -5.1778E+00 -7.0006E+00 O6 4414 15.999400 -0.847600 2.7778E+00 9.4756E+00 -8.7931E+00 H1 4415 1.008000 0.423800 3.0382E+00 9.1121E+00 -7.8987E+00 H2 4416 1.008000 0.423800 3.5613E+00 9.4295E+00 -9.4127E+00 O6 4417 15.999400 -0.847600 -1.7060E+01 -1.0099E+01 1.9047E+01 H1 4418 1.008000 0.423800 -1.6917E+01 -9.2563E+00 1.8528E+01 H2 4419 1.008000 0.423800 -1.6241E+01 -1.0670E+01 1.8988E+01 O6 4420 15.999400 -0.847600 -9.8998E+00 -1.7099E+01 5.0563E+00 H1 4421 1.008000 0.423800 -9.8507E+00 -1.7597E+01 4.1901E+00 H2 4422 1.008000 0.423800 -8.9763E+00 -1.6961E+01 5.4139E+00 O6 4423 15.999400 -0.847600 3.8284E+00 -7.3444E-01 -1.8699E+00 H1 4424 1.008000 0.423800 3.9807E+00 -1.0766E+00 -2.7972E+00 H2 4425 1.008000 0.423800 4.6297E+00 -9.3288E-01 -1.3057E+00 O6 4426 15.999400 -0.847600 6.8356E+00 5.5052E+00 -5.9069E+00 H1 4427 1.008000 0.423800 7.2030E+00 4.7045E+00 -6.3801E+00 H2 4428 1.008000 0.423800 7.3118E+00 5.6252E+00 -5.0358E+00 O6 4429 15.999400 -0.847600 -9.0293E+00 -6.6538E+00 -1.7356E+01 H1 4430 1.008000 0.423800 -8.9540E+00 -6.8950E+00 -1.8323E+01 H2 4431 1.008000 0.423800 -9.5849E+00 -7.3385E+00 -1.6884E+01 O6 4432 15.999400 -0.847600 -1.5332E+01 -1.1429E+01 -1.4911E+01 H1 4433 1.008000 0.423800 -1.4639E+01 -1.0716E+01 -1.5014E+01 H2 4434 1.008000 0.423800 -1.5648E+01 -1.1720E+01 -1.5814E+01 O6 4435 15.999400 -0.847600 7.7347E-01 -6.8144E+00 -6.4659E+00 H1 4436 1.008000 0.423800 2.5217E-01 -6.0016E+00 -6.7261E+00 H2 4437 1.008000 0.423800 3.1161E-01 -7.6312E+00 -6.8114E+00 O6 4438 15.999400 -0.847600 -1.2683E+01 9.7930E+00 1.8150E+01 H1 4439 1.008000 0.423800 -1.1701E+01 9.8923E+00 1.7995E+01 H2 4440 1.008000 0.423800 -1.2955E+01 8.8466E+00 1.7975E+01 O6 4441 15.999400 -0.847600 1.2901E+01 1.1502E+01 -1.7213E+01 H1 4442 1.008000 0.423800 1.3320E+01 1.1737E+01 -1.8090E+01 H2 4443 1.008000 0.423800 1.3592E+01 1.1108E+01 -1.6608E+01 O6 4444 15.999400 -0.847600 6.5181E+00 1.7074E+01 1.3662E+01 H1 4445 1.008000 0.423800 6.3164E+00 1.7642E+01 1.2864E+01 H2 4446 1.008000 0.423800 5.6768E+00 1.6914E+01 1.4178E+01 O6 4447 15.999400 -0.847600 6.0703E+00 -2.4912E+00 1.4314E+01 H1 4448 1.008000 0.423800 5.3213E+00 -1.8307E+00 1.4366E+01 H2 4449 1.008000 0.423800 6.4315E+00 -2.6592E+00 1.5231E+01 O6 4450 15.999400 -0.847600 7.9925E-01 1.6177E+01 8.8754E+00 H1 4451 1.008000 0.423800 8.6497E-01 1.6843E+01 9.6191E+00 H2 4452 1.008000 0.423800 7.1511E-01 1.5257E+01 9.2579E+00 O6 4453 15.999400 -0.847600 -5.3725E+00 -1.2650E+01 3.9705E+00 H1 4454 1.008000 0.423800 -5.0436E+00 -1.2689E+01 4.9141E+00 H2 4455 1.008000 0.423800 -6.2808E+00 -1.3065E+01 3.9166E+00 O6 4456 15.999400 -0.847600 7.1635E+00 1.1680E+01 1.8654E+01 H1 4457 1.008000 0.423800 6.5275E+00 1.1601E+01 1.7887E+01 H2 4458 1.008000 0.423800 6.8030E+00 1.1176E+01 1.9439E+01 O6 4459 15.999400 -0.847600 -1.8396E+01 -1.4579E+01 1.4793E+01 H1 4460 1.008000 0.423800 -1.7456E+01 -1.4792E+01 1.5062E+01 H2 4461 1.008000 0.423800 -1.8446E+01 -1.4489E+01 1.3799E+01 O6 4462 15.999400 -0.847600 1.9013E+01 7.8027E+00 1.6314E+00 H1 4463 1.008000 0.423800 1.8813E+01 6.8346E+00 1.4804E+00 H2 4464 1.008000 0.423800 1.8158E+01 8.3211E+00 1.6492E+00 O6 4465 15.999400 -0.847600 1.1126E+01 1.9111E+01 3.4458E+00 H1 4466 1.008000 0.423800 1.0552E+01 -1.9206E+01 3.6918E+00 H2 4467 1.008000 0.423800 1.0761E+01 1.8282E+01 3.8701E+00 O6 4468 15.999400 -0.847600 -7.5919E-01 -9.0400E+00 -1.9365E+01 H1 4469 1.008000 0.423800 1.9882E-01 -9.2145E+00 1.9505E+01 H2 4470 1.008000 0.423800 -8.2874E-01 -8.7616E+00 -1.8407E+01 O6 4471 15.999400 -0.847600 5.9920E+00 7.1990E+00 -7.9469E+00 H1 4472 1.008000 0.423800 6.3995E+00 6.6756E+00 -7.1986E+00 H2 4473 1.008000 0.423800 5.8331E+00 6.5951E+00 -8.7280E+00 O6 4474 15.999400 -0.847600 1.9262E+01 -1.0365E+01 -1.0054E+01 H1 4475 1.008000 0.423800 1.9196E+01 -1.0462E+01 -1.1048E+01 H2 4476 1.008000 0.423800 -1.9206E+01 -1.1053E+01 -9.6939E+00 O6 4477 15.999400 -0.847600 1.3714E+01 -1.6952E+01 -1.3115E+01 H1 4478 1.008000 0.423800 1.4235E+01 -1.7133E+01 -1.2281E+01 H2 4479 1.008000 0.423800 1.3531E+01 -1.5971E+01 -1.3187E+01 O6 4480 15.999400 -0.847600 9.8779E-01 3.9627E-01 -1.4499E+00 H1 4481 1.008000 0.423800 2.2975E-01 -2.1128E-01 -1.2127E+00 H2 4482 1.008000 0.423800 1.8480E+00 -1.1199E-01 -1.4078E+00 O6 4483 15.999400 -0.847600 1.2169E+01 8.5113E+00 -1.8859E+01 H1 4484 1.008000 0.423800 1.1392E+01 9.1378E+00 -1.8916E+01 H2 4485 1.008000 0.423800 1.3018E+01 9.0372E+00 -1.8805E+01 O6 4486 15.999400 -0.847600 -2.1895E+00 -1.2241E+01 1.0022E+01 H1 4487 1.008000 0.423800 -2.1823E+00 -1.2175E+01 9.0244E+00 H2 4488 1.008000 0.423800 -2.8754E+00 -1.2910E+01 1.0307E+01 O6 4489 15.999400 -0.847600 1.3570E+01 -6.2369E+00 -1.2916E+01 H1 4490 1.008000 0.423800 1.2790E+01 -5.9417E+00 -1.3468E+01 H2 4491 1.008000 0.423800 1.4079E+01 -6.9433E+00 -1.3409E+01 O6 4492 15.999400 -0.847600 1.6766E+01 -1.3535E+01 1.7270E+01 H1 4493 1.008000 0.423800 1.6931E+01 -1.4039E+01 1.8118E+01 H2 4494 1.008000 0.423800 1.6764E+01 -1.4171E+01 1.6499E+01 O6 4495 15.999400 -0.847600 9.0235E+00 1.1080E+01 -7.7016E+00 H1 4496 1.008000 0.423800 9.3297E+00 1.2032E+01 -7.7026E+00 H2 4497 1.008000 0.423800 9.1667E+00 1.0685E+01 -6.7943E+00 O6 4498 15.999400 -0.847600 -9.8179E+00 1.5831E+01 -3.1687E+00 H1 4499 1.008000 0.423800 -9.9505E+00 1.4859E+01 -2.9770E+00 H2 4500 1.008000 0.423800 -9.6441E+00 1.6319E+01 -2.3132E+00 O6 4501 15.999400 -0.847600 -1.0809E+00 -4.4902E+00 -7.8232E+00 H1 4502 1.008000 0.423800 -1.8713E+00 -4.7465E+00 -7.2668E+00 H2 4503 1.008000 0.423800 -1.3569E+00 -4.4195E+00 -8.7818E+00 O6 4504 15.999400 -0.847600 -1.9341E+01 5.8836E+00 1.9097E+01 H1 4505 1.008000 0.423800 1.9520E+01 5.9820E+00 -1.9034E+01 H2 4506 1.008000 0.423800 -1.8413E+01 6.2241E+00 1.8944E+01 O6 4507 15.999400 -0.847600 -1.2575E+01 -6.1785E+00 -1.7951E+01 H1 4508 1.008000 0.423800 -1.2066E+01 -5.5264E+00 -1.8513E+01 H2 4509 1.008000 0.423800 -1.2617E+01 -7.0606E+00 -1.8420E+01 O6 4510 15.999400 -0.847600 -9.6595E+00 -1.3201E+01 -5.6690E+00 H1 4511 1.008000 0.423800 -9.8948E+00 -1.3663E+01 -6.5239E+00 H2 4512 1.008000 0.423800 -1.0073E+01 -1.2291E+01 -5.6580E+00 O6 4513 15.999400 -0.847600 -1.7023E+01 -9.7728E+00 -1.7123E+01 H1 4514 1.008000 0.423800 -1.6848E+01 -8.8709E+00 -1.6728E+01 H2 4515 1.008000 0.423800 -1.7125E+01 -9.6887E+00 -1.8114E+01 O6 4516 15.999400 -0.847600 1.8865E+01 -4.1801E+00 1.6948E+01 H1 4517 1.008000 0.423800 1.8498E+01 -3.5046E+00 1.7587E+01 H2 4518 1.008000 0.423800 1.8300E+01 -5.0047E+00 1.6973E+01 O6 4519 15.999400 -0.847600 4.4087E+00 1.8650E+01 -2.1181E+00 H1 4520 1.008000 0.423800 3.9184E+00 1.8298E+01 -1.3208E+00 H2 4521 1.008000 0.423800 5.1905E+00 1.9195E+01 -1.8148E+00 O6 4522 15.999400 -0.847600 1.2728E+01 1.7539E+01 -2.5565E+00 H1 4523 1.008000 0.423800 1.2045E+01 1.7873E+01 -3.2054E+00 H2 4524 1.008000 0.423800 1.2799E+01 1.6545E+01 -2.6297E+00 O6 4525 15.999400 -0.847600 1.4596E+01 1.0189E+01 3.4329E+00 H1 4526 1.008000 0.423800 1.3850E+01 1.0838E+01 3.5835E+00 H2 4527 1.008000 0.423800 1.5269E+01 1.0279E+01 4.1675E+00 O6 4528 15.999400 -0.847600 -1.1467E+01 -1.1125E+01 -5.7210E+00 H1 4529 1.008000 0.423800 -1.1886E+01 -1.2023E+01 -5.8552E+00 H2 4530 1.008000 0.423800 -1.1559E+01 -1.0586E+01 -6.5582E+00 O6 4531 15.999400 -0.847600 -1.1696E+01 -1.0547E+01 1.5354E+01 H1 4532 1.008000 0.423800 -1.1020E+01 -1.1266E+01 1.5192E+01 H2 4533 1.008000 0.423800 -1.2296E+01 -1.0468E+01 1.4558E+01 O6 4534 15.999400 -0.847600 -7.2264E+00 -1.4726E+01 1.7218E+01 H1 4535 1.008000 0.423800 -7.4646E+00 -1.3962E+01 1.6618E+01 H2 4536 1.008000 0.423800 -6.8768E+00 -1.4372E+01 1.8086E+01 O6 4537 15.999400 -0.847600 -1.6039E+01 -7.0479E-01 1.6329E+01 H1 4538 1.008000 0.423800 -1.5073E+01 -5.3848E-01 1.6526E+01 H2 4539 1.008000 0.423800 -1.6373E+01 -1.1403E-02 1.5691E+01 O6 4540 15.999400 -0.847600 -1.7678E+01 -4.3902E+00 1.7873E+01 H1 4541 1.008000 0.423800 -1.8604E+01 -4.5161E+00 1.7515E+01 H2 4542 1.008000 0.423800 -1.7724E+01 -3.9446E+00 1.8767E+01 O6 4543 15.999400 -0.847600 -1.6086E+01 1.3019E+01 -1.4801E+01 H1 4544 1.008000 0.423800 -1.5536E+01 1.2268E+01 -1.5166E+01 H2 4545 1.008000 0.423800 -1.6834E+01 1.2647E+01 -1.4251E+01 O6 4546 15.999400 -0.847600 -9.0180E+00 -8.6513E+00 -4.9644E+00 H1 4547 1.008000 0.423800 -9.7604E+00 -8.0091E+00 -5.1554E+00 H2 4548 1.008000 0.423800 -8.9189E+00 -8.7616E+00 -3.9755E+00 O6 4549 15.999400 -0.847600 6.5626E+00 -1.8021E+01 1.6899E+01 H1 4550 1.008000 0.423800 6.1665E+00 -1.7847E+01 1.5998E+01 H2 4551 1.008000 0.423800 6.4059E+00 -1.7231E+01 1.7491E+01 O6 4552 15.999400 -0.847600 2.0338E+00 -1.8406E-01 9.6935E+00 H1 4553 1.008000 0.423800 2.4410E+00 5.5802E-01 1.0226E+01 H2 4554 1.008000 0.423800 1.5196E+00 -7.8795E-01 1.0303E+01 O6 4555 15.999400 -0.847600 6.6065E+00 1.1039E+01 1.4272E+01 H1 4556 1.008000 0.423800 6.9645E+00 1.1937E+01 1.4526E+01 H2 4557 1.008000 0.423800 5.9961E+00 1.1133E+01 1.3485E+01 O6 4558 15.999400 -0.847600 -8.6112E+00 -9.2222E+00 7.1478E-01 H1 4559 1.008000 0.423800 -7.6339E+00 -9.3391E+00 5.3832E-01 H2 4560 1.008000 0.423800 -9.1197E+00 -9.3335E+00 -1.3906E-01 O6 4561 15.999400 -0.847600 -6.9529E+00 -5.9897E+00 1.8384E+01 H1 4562 1.008000 0.423800 -6.4265E+00 -5.7131E+00 1.9188E+01 H2 4563 1.008000 0.423800 -7.0452E+00 -5.2119E+00 1.7763E+01 O6 4564 15.999400 -0.847600 4.4828E+00 1.1601E+01 -2.5564E+00 H1 4565 1.008000 0.423800 3.7744E+00 1.2297E+01 -2.4379E+00 H2 4566 1.008000 0.423800 4.8416E+00 1.1646E+01 -3.4887E+00 O6 4567 15.999400 -0.847600 3.7223E+00 -1.8471E+00 -7.5567E+00 H1 4568 1.008000 0.423800 3.3426E+00 -9.4829E-01 -7.3378E+00 H2 4569 1.008000 0.423800 2.9806E+00 -2.4718E+00 -7.8007E+00 O6 4570 15.999400 -0.847600 -4.5135E+00 1.2468E+01 -1.9256E+01 H1 4571 1.008000 0.423800 -4.4348E+00 1.1803E+01 -1.8514E+01 H2 4572 1.008000 0.423800 -3.8994E+00 1.3238E+01 -1.9080E+01 O6 4573 15.999400 -0.847600 1.6403E+01 5.8918E+00 -6.2227E+00 H1 4574 1.008000 0.423800 1.6243E+01 5.0150E+00 -5.7693E+00 H2 4575 1.008000 0.423800 1.7030E+01 5.7606E+00 -6.9907E+00 O6 4576 15.999400 -0.847600 -1.0474E+01 8.7681E+00 -1.5684E+01 H1 4577 1.008000 0.423800 -9.5144E+00 8.4984E+00 -1.5768E+01 H2 4578 1.008000 0.423800 -1.1059E+01 8.0183E+00 -1.5993E+01 O6 4579 15.999400 -0.847600 -1.0930E+01 -1.5682E+01 -5.1906E+00 H1 4580 1.008000 0.423800 -1.0947E+01 -1.4683E+01 -5.2171E+00 H2 4581 1.008000 0.423800 -1.1778E+01 -1.6019E+01 -4.7813E+00 O6 4582 15.999400 -0.847600 -5.2804E+00 -1.7010E+01 8.0758E+00 H1 4583 1.008000 0.423800 -4.6267E+00 -1.7600E+01 8.5502E+00 H2 4584 1.008000 0.423800 -4.9513E+00 -1.6066E+01 8.0933E+00 O6 4585 15.999400 -0.847600 -1.3865E+00 3.4517E+00 -3.2284E+00 H1 4586 1.008000 0.423800 -7.5960E-01 4.2216E+00 -3.1091E+00 H2 4587 1.008000 0.423800 -2.2753E+00 3.6810E+00 -2.8316E+00 O6 4588 15.999400 -0.847600 -1.0091E+01 1.5527E+01 9.2726E+00 H1 4589 1.008000 0.423800 -1.0970E+01 1.6002E+01 9.2395E+00 H2 4590 1.008000 0.423800 -9.8363E+00 1.5363E+01 1.0226E+01 O6 4591 15.999400 -0.847600 -1.3870E+01 -1.7216E+00 -6.9552E+00 H1 4592 1.008000 0.423800 -1.3748E+01 -1.1415E+00 -7.7606E+00 H2 4593 1.008000 0.423800 -1.4043E+01 -2.6629E+00 -7.2455E+00 O6 4594 15.999400 -0.847600 -2.7588E+00 -1.9153E+01 1.9235E+01 H1 4595 1.008000 0.423800 -2.2703E+00 -1.8282E+01 1.9187E+01 H2 4596 1.008000 0.423800 -3.6306E+00 -1.9073E+01 1.8752E+01 O6 4597 15.999400 -0.847600 9.8737E+00 1.5927E+01 1.7810E+01 H1 4598 1.008000 0.423800 9.6965E+00 1.4945E+01 1.7872E+01 H2 4599 1.008000 0.423800 9.5941E+00 1.6370E+01 1.8662E+01 O6 4600 15.999400 -0.847600 1.9442E+01 -1.3074E+01 -8.7219E+00 H1 4601 1.008000 0.423800 1.8454E+01 -1.2997E+01 -8.8585E+00 H2 4602 1.008000 0.423800 -1.9246E+01 -1.3534E+01 -9.5096E+00 O6 4603 15.999400 -0.847600 -1.7264E+01 -7.1843E+00 -5.2254E+00 H1 4604 1.008000 0.423800 -1.7283E+01 -6.7797E+00 -6.1397E+00 H2 4605 1.008000 0.423800 -1.8154E+01 -7.0593E+00 -4.7875E+00 O6 4606 15.999400 -0.847600 1.6074E+01 1.4606E+01 -1.5828E+01 H1 4607 1.008000 0.423800 1.5338E+01 1.4996E+01 -1.5273E+01 H2 4608 1.008000 0.423800 1.6647E+01 1.4019E+01 -1.5256E+01 O6 4609 15.999400 -0.847600 -3.9060E+00 1.2035E+00 -1.6749E+01 H1 4610 1.008000 0.423800 -4.7609E+00 1.6379E+00 -1.6465E+01 H2 4611 1.008000 0.423800 -4.1083E+00 3.3996E-01 -1.7210E+01 O6 4612 15.999400 -0.847600 1.0759E+01 4.6998E+00 -8.3822E+00 H1 4613 1.008000 0.423800 1.0721E+01 3.7488E+00 -8.0753E+00 H2 4614 1.008000 0.423800 9.9528E+00 4.9027E+00 -8.9385E+00 O6 4615 15.999400 -0.847600 -4.7734E+00 1.6039E+00 1.8021E+01 H1 4616 1.008000 0.423800 -5.0842E+00 1.9551E+00 1.7138E+01 H2 4617 1.008000 0.423800 -4.0326E+00 9.4795E-01 1.7877E+01 O6 4618 15.999400 -0.847600 4.7445E+00 -1.4336E+00 -1.6359E+01 H1 4619 1.008000 0.423800 5.2552E+00 -2.1928E+00 -1.5956E+01 H2 4620 1.008000 0.423800 4.3709E+00 -1.7158E+00 -1.7243E+01 O6 4621 15.999400 -0.847600 6.1709E+00 7.5423E+00 -1.9531E+01 H1 4622 1.008000 0.423800 6.2426E+00 8.5092E+00 -1.9286E+01 H2 4623 1.008000 0.423800 6.8243E+00 7.0122E+00 -1.8991E+01 O6 4624 15.999400 -0.847600 -6.8436E+00 -3.6442E-01 1.9284E+01 H1 4625 1.008000 0.423800 -7.3273E+00 -1.0509E+00 1.8741E+01 H2 4626 1.008000 0.423800 -6.4562E+00 3.2883E-01 1.8676E+01 O6 4627 15.999400 -0.847600 -1.6527E+01 -6.6963E+00 6.4384E+00 H1 4628 1.008000 0.423800 -1.6784E+01 -5.7501E+00 6.2419E+00 H2 4629 1.008000 0.423800 -1.6891E+01 -7.2956E+00 5.7254E+00 O6 4630 15.999400 -0.847600 1.0153E+01 -9.3515E+00 -2.3614E+00 H1 4631 1.008000 0.423800 1.0948E+01 -8.9425E+00 -2.8084E+00 H2 4632 1.008000 0.423800 1.0355E+01 -9.5013E+00 -1.3935E+00 O6 4633 15.999400 -0.847600 8.7843E+00 -5.6324E+00 2.4390E+00 H1 4634 1.008000 0.423800 8.7873E+00 -6.0815E+00 3.3325E+00 H2 4635 1.008000 0.423800 7.8865E+00 -5.2240E+00 2.2743E+00 O6 4636 15.999400 -0.847600 -1.7869E+01 1.5032E+01 8.2633E+00 H1 4637 1.008000 0.423800 -1.7520E+01 1.4299E+01 8.8473E+00 H2 4638 1.008000 0.423800 -1.8495E+01 1.4647E+01 7.5844E+00 O6 4639 15.999400 -0.847600 -1.7399E+01 -7.9829E+00 5.1636E-02 H1 4640 1.008000 0.423800 -1.6705E+01 -7.3525E+00 -2.9758E-01 H2 4641 1.008000 0.423800 -1.7915E+01 -8.3674E+00 -7.1349E-01 O6 4642 15.999400 -0.847600 5.3658E+00 1.6537E+01 -1.6690E+01 H1 4643 1.008000 0.423800 4.5276E+00 1.6818E+01 -1.6223E+01 H2 4644 1.008000 0.423800 5.5835E+00 1.7197E+01 -1.7409E+01 O6 4645 15.999400 -0.847600 6.4642E+00 1.7042E+01 -1.0214E+01 H1 4646 1.008000 0.423800 6.7372E+00 1.6082E+01 -1.0277E+01 H2 4647 1.008000 0.423800 6.7741E+00 1.7421E+01 -9.3422E+00 O6 4648 15.999400 -0.847600 -1.2730E+01 1.5419E+01 1.4875E+01 H1 4649 1.008000 0.423800 -1.2303E+01 1.6234E+01 1.4485E+01 H2 4650 1.008000 0.423800 -1.2152E+01 1.5058E+01 1.5607E+01 O6 4651 15.999400 -0.847600 -1.6328E+01 -7.0980E+00 1.3812E+01 H1 4652 1.008000 0.423800 -1.5919E+01 -7.4479E+00 1.2969E+01 H2 4653 1.008000 0.423800 -1.6559E+01 -6.1322E+00 1.3694E+01 O6 4654 15.999400 -0.847600 -8.3724E+00 6.2582E+00 5.6780E+00 H1 4655 1.008000 0.423800 -7.8493E+00 6.7029E+00 6.4051E+00 H2 4656 1.008000 0.423800 -9.1684E+00 5.7994E+00 6.0728E+00 O6 4657 15.999400 -0.847600 -1.5343E+01 1.1043E+01 -3.3439E+00 H1 4658 1.008000 0.423800 -1.4995E+01 1.1432E+01 -2.4911E+00 H2 4659 1.008000 0.423800 -1.5037E+01 1.0094E+01 -3.4269E+00 O6 4660 15.999400 -0.847600 6.8412E+00 1.5503E+01 -5.6863E+00 H1 4661 1.008000 0.423800 6.2517E+00 1.5021E+01 -6.3341E+00 H2 4662 1.008000 0.423800 6.2769E+00 1.5962E+01 -5.0003E+00 O6 4663 15.999400 -0.847600 1.3857E+01 -1.7319E+01 7.2526E+00 H1 4664 1.008000 0.423800 1.3363E+01 -1.7383E+01 8.1196E+00 H2 4665 1.008000 0.423800 1.4295E+01 -1.8195E+01 7.0530E+00 O6 4666 15.999400 -0.847600 -2.6900E+00 -1.5582E+01 -8.3212E+00 H1 4667 1.008000 0.423800 -2.9825E+00 -1.4626E+01 -8.3415E+00 H2 4668 1.008000 0.423800 -3.4920E+00 -1.6177E+01 -8.3730E+00 O6 4669 15.999400 -0.847600 -1.8426E+01 -1.8708E+01 1.2577E+01 H1 4670 1.008000 0.423800 -1.8791E+01 -1.8921E+01 1.3484E+01 H2 4671 1.008000 0.423800 -1.7550E+01 -1.9174E+01 1.2453E+01 O6 4672 15.999400 -0.847600 -1.0385E+00 -1.5993E+00 2.8248E+00 H1 4673 1.008000 0.423800 -1.7970E+00 -1.2003E+00 2.3096E+00 H2 4674 1.008000 0.423800 -7.6029E-01 -9.6936E-01 3.5499E+00 O6 4675 15.999400 -0.847600 -1.6542E+01 -1.6223E+01 1.5845E+01 H1 4676 1.008000 0.423800 -1.6265E+01 -1.6249E+01 1.6806E+01 H2 4677 1.008000 0.423800 -1.5816E+01 -1.6613E+01 1.5278E+01 O6 4678 15.999400 -0.847600 1.7148E+00 -7.9908E+00 1.6995E+01 H1 4679 1.008000 0.423800 1.0232E+00 -8.4203E+00 1.6415E+01 H2 4680 1.008000 0.423800 2.0165E+00 -8.6421E+00 1.7692E+01 O6 4681 15.999400 -0.847600 -1.9144E+01 7.7802E+00 -1.2569E+00 H1 4682 1.008000 0.423800 -1.9303E+01 7.8164E+00 -2.7038E-01 H2 4683 1.008000 0.423800 1.9099E+01 7.5539E+00 -1.7246E+00 O6 4684 15.999400 -0.847600 -1.1176E+01 6.0878E+00 -2.0457E+00 H1 4685 1.008000 0.423800 -1.0185E+01 6.0850E+00 -2.1782E+00 H2 4686 1.008000 0.423800 -1.1384E+01 6.2928E+00 -1.0893E+00 O6 4687 15.999400 -0.847600 1.5684E+01 -5.7498E+00 -6.2566E-01 H1 4688 1.008000 0.423800 1.6539E+01 -5.2421E+00 -7.3304E-01 H2 4689 1.008000 0.423800 1.5679E+01 -6.2090E+00 2.6266E-01 O6 4690 15.999400 -0.847600 1.4872E+01 -7.7026E+00 1.6622E+01 H1 4691 1.008000 0.423800 1.4982E+01 -8.4354E+00 1.5950E+01 H2 4692 1.008000 0.423800 1.4410E+01 -6.9252E+00 1.6194E+01 O6 4693 15.999400 -0.847600 1.1739E+00 -1.2096E+00 1.6913E+01 H1 4694 1.008000 0.423800 1.7569E+00 -1.9513E+00 1.6581E+01 H2 4695 1.008000 0.423800 1.7355E+00 -4.0495E-01 1.7105E+01 O6 4696 15.999400 -0.847600 1.8619E+01 1.8234E+01 -1.2755E+01 H1 4697 1.008000 0.423800 1.9295E+01 1.7921E+01 -1.2089E+01 H2 4698 1.008000 0.423800 1.9052E+01 1.8864E+01 -1.3400E+01 O6 4699 15.999400 -0.847600 -7.3961E+00 -1.0601E+01 -1.6770E+01 H1 4700 1.008000 0.423800 -6.4739E+00 -1.0787E+01 -1.7109E+01 H2 4701 1.008000 0.423800 -7.7152E+00 -1.1379E+01 -1.6229E+01 O6 4702 15.999400 -0.847600 1.7496E+01 1.3013E+01 -1.3883E+01 H1 4703 1.008000 0.423800 1.7008E+01 1.3371E+01 -1.3086E+01 H2 4704 1.008000 0.423800 1.7532E+01 1.2015E+01 -1.3830E+01 O6 4705 15.999400 -0.847600 1.2151E+01 -8.8580E+00 1.7646E+01 H1 4706 1.008000 0.423800 1.1887E+01 -9.8105E+00 1.7494E+01 H2 4707 1.008000 0.423800 1.3119E+01 -8.7411E+00 1.7427E+01 O6 4708 15.999400 -0.847600 -8.4387E+00 1.3112E+01 1.3030E+00 H1 4709 1.008000 0.423800 -8.2660E+00 1.3747E+01 5.5047E-01 H2 4710 1.008000 0.423800 -8.5268E+00 1.3623E+01 2.1577E+00 O6 4711 15.999400 -0.847600 6.3761E-01 1.7725E+01 4.0443E+00 H1 4712 1.008000 0.423800 -3.3342E-01 1.7491E+01 4.0934E+00 H2 4713 1.008000 0.423800 1.0195E+00 1.7759E+01 4.9678E+00 O6 4714 15.999400 -0.847600 -1.6022E+01 -5.7615E-01 4.1596E+00 H1 4715 1.008000 0.423800 -1.6229E+01 2.8772E-01 4.6189E+00 H2 4716 1.008000 0.423800 -1.5106E+01 -8.8121E-01 4.4202E+00 O6 4717 15.999400 -0.847600 -7.6703E-01 1.3196E+01 1.3668E+01 H1 4718 1.008000 0.423800 -1.6215E+00 1.3278E+01 1.3155E+01 H2 4719 1.008000 0.423800 -1.7769E-01 1.3977E+01 1.3461E+01 O6 4720 15.999400 -0.847600 -1.8728E+01 4.5955E-01 -6.4756E+00 H1 4721 1.008000 0.423800 -1.8933E+01 3.1115E-02 -5.5956E+00 H2 4722 1.008000 0.423800 1.9517E+01 6.2952E-01 -6.9705E+00 O6 4723 15.999400 -0.847600 1.9105E+01 -1.4769E+01 1.1530E+01 H1 4724 1.008000 0.423800 1.8930E+01 -1.4943E+01 1.0561E+01 H2 4725 1.008000 0.423800 -1.9065E+01 -1.5062E+01 1.1759E+01 O6 4726 15.999400 -0.847600 -6.5907E+00 -1.6551E+01 1.0355E+01 H1 4727 1.008000 0.423800 -6.2948E+00 -1.6889E+01 9.4616E+00 H2 4728 1.008000 0.423800 -7.5899E+00 -1.6538E+01 1.0392E+01 O6 4729 15.999400 -0.847600 -1.4437E+00 -1.1948E+01 1.3155E+01 H1 4730 1.008000 0.423800 -7.2620E-01 -1.1371E+01 1.3545E+01 H2 4731 1.008000 0.423800 -1.0565E+00 -1.2515E+01 1.2429E+01 O6 4732 15.999400 -0.847600 -1.9263E+01 5.9386E+00 -1.2670E+01 H1 4733 1.008000 0.423800 1.9059E+01 6.3906E+00 -1.2230E+01 H2 4734 1.008000 0.423800 -1.8921E+01 5.2098E+00 -1.2077E+01 O6 4735 15.999400 -0.847600 1.7039E+01 -8.5681E+00 1.3132E+01 H1 4736 1.008000 0.423800 1.6714E+01 -9.2199E+00 1.3818E+01 H2 4737 1.008000 0.423800 1.6385E+01 -7.8159E+00 1.3052E+01 O6 4738 15.999400 -0.847600 8.9370E+00 -1.3874E+01 1.1274E+01 H1 4739 1.008000 0.423800 8.1536E+00 -1.3836E+01 1.0653E+01 H2 4740 1.008000 0.423800 9.7687E+00 -1.3629E+01 1.0776E+01 O6 4741 15.999400 -0.847600 1.2602E+01 1.4505E+01 -2.4516E+00 H1 4742 1.008000 0.423800 1.2906E+01 1.4086E+01 -1.5959E+00 H2 4743 1.008000 0.423800 1.3045E+01 1.4047E+01 -3.2224E+00 O6 4744 15.999400 -0.847600 -1.8140E+01 -9.3994E+00 2.4690E+00 H1 4745 1.008000 0.423800 -1.8046E+01 -9.0303E+00 1.5444E+00 H2 4746 1.008000 0.423800 -1.8429E+01 -1.0355E+01 2.4185E+00 O6 4747 15.999400 -0.847600 6.1742E+00 1.2491E+01 7.8968E+00 H1 4748 1.008000 0.423800 7.1067E+00 1.2852E+01 7.8859E+00 H2 4749 1.008000 0.423800 6.0639E+00 1.1876E+01 8.6779E+00 O6 4750 15.999400 -0.847600 1.4987E+01 -1.2731E+01 -4.0722E+00 H1 4751 1.008000 0.423800 1.4494E+01 -1.3516E+01 -4.4465E+00 H2 4752 1.008000 0.423800 1.4398E+01 -1.2244E+01 -3.4277E+00 O6 4753 15.999400 -0.847600 1.6171E+01 -1.5629E+01 1.5254E+01 H1 4754 1.008000 0.423800 1.6620E+01 -1.5920E+01 1.4409E+01 H2 4755 1.008000 0.423800 1.5383E+01 -1.5055E+01 1.5033E+01 O6 4756 15.999400 -0.847600 -9.7901E+00 4.8258E+00 7.7126E+00 H1 4757 1.008000 0.423800 -8.8693E+00 5.0391E+00 8.0392E+00 H2 4758 1.008000 0.423800 -1.0202E+01 4.1336E+00 8.3053E+00 O6 4759 15.999400 -0.847600 1.4262E+00 -1.6473E+01 -3.8754E+00 H1 4760 1.008000 0.423800 1.4267E+00 -1.6508E+01 -2.8760E+00 H2 4761 1.008000 0.423800 6.7649E-01 -1.5890E+01 -4.1881E+00 O6 4762 15.999400 -0.847600 1.3512E+01 -1.2452E+01 6.4717E+00 H1 4763 1.008000 0.423800 1.3858E+01 -1.1713E+01 7.0490E+00 H2 4764 1.008000 0.423800 1.3710E+01 -1.3333E+01 6.9034E+00 O6 4765 15.999400 -0.847600 -7.3343E+00 -1.2069E+00 -1.1043E+01 H1 4766 1.008000 0.423800 -7.5614E+00 -2.1756E+00 -1.1143E+01 H2 4767 1.008000 0.423800 -6.6173E+00 -9.6357E-01 -1.1696E+01 O6 4768 15.999400 -0.847600 1.2401E+01 4.0265E+00 -4.1575E+00 H1 4769 1.008000 0.423800 1.1885E+01 4.6811E+00 -4.7106E+00 H2 4770 1.008000 0.423800 1.3204E+01 4.4781E+00 -3.7687E+00 O6 4771 15.999400 -0.847600 1.1891E+01 1.4920E+01 1.0901E+01 H1 4772 1.008000 0.423800 1.1985E+01 1.5898E+01 1.0717E+01 H2 4773 1.008000 0.423800 1.1868E+01 1.4767E+01 1.1889E+01 O6 4774 15.999400 -0.847600 1.9003E+01 1.3568E+01 -4.4982E+00 H1 4775 1.008000 0.423800 1.9117E+01 1.4122E+01 -3.6738E+00 H2 4776 1.008000 0.423800 -1.9197E+01 1.3296E+01 -4.8443E+00 O6 4777 15.999400 -0.847600 5.5019E+00 -7.9755E+00 6.9982E+00 H1 4778 1.008000 0.423800 5.7212E+00 -8.1809E+00 7.9520E+00 H2 4779 1.008000 0.423800 6.3485E+00 -7.8526E+00 6.4806E+00 O6 4780 15.999400 -0.847600 -1.6257E+01 1.5741E+01 4.6178E+00 H1 4781 1.008000 0.423800 -1.5812E+01 1.5114E+01 5.2577E+00 H2 4782 1.008000 0.423800 -1.5898E+01 1.5587E+01 3.6971E+00 O6 4783 15.999400 -0.847600 1.1679E+01 -1.7875E+00 8.8987E+00 H1 4784 1.008000 0.423800 1.1716E+01 -1.0294E+00 8.2476E+00 H2 4785 1.008000 0.423800 1.1072E+01 -2.5001E+00 8.5462E+00 O6 4786 15.999400 -0.847600 9.4539E-02 -1.3834E+01 -1.2371E+01 H1 4787 1.008000 0.423800 -4.0745E-01 -1.4273E+01 -1.3117E+01 H2 4788 1.008000 0.423800 5.4667E-01 -1.4534E+01 -1.1818E+01 O6 4789 15.999400 -0.847600 1.7372E+01 -1.7072E+01 2.0262E+00 H1 4790 1.008000 0.423800 1.6489E+01 -1.7526E+01 1.9014E+00 H2 4791 1.008000 0.423800 1.7367E+01 -1.6196E+01 1.5444E+00 O6 4792 15.999400 -0.847600 1.5556E+01 -1.0390E+00 -1.1147E+01 H1 4793 1.008000 0.423800 1.4882E+01 -8.9600E-01 -1.0422E+01 H2 4794 1.008000 0.423800 1.5295E+01 -1.8367E+00 -1.1691E+01 O6 4795 15.999400 -0.847600 8.1740E+00 -4.9803E+00 -1.8170E+01 H1 4796 1.008000 0.423800 8.9603E+00 -4.6036E+00 -1.8659E+01 H2 4797 1.008000 0.423800 7.3584E+00 -4.9087E+00 -1.8744E+01 O6 4798 15.999400 -0.847600 8.8115E+00 -8.8608E+00 -5.9848E+00 H1 4799 1.008000 0.423800 8.6018E+00 -7.9517E+00 -6.3449E+00 H2 4800 1.008000 0.423800 9.0106E+00 -9.4818E+00 -6.7429E+00 O6 4801 15.999400 -0.847600 7.7762E+00 1.7339E+01 -1.5181E+01 H1 4802 1.008000 0.423800 6.8596E+00 1.6995E+01 -1.5385E+01 H2 4803 1.008000 0.423800 7.9969E+00 1.7150E+01 -1.4224E+01 O6 4804 15.999400 -0.847600 -7.5203E+00 1.8053E+01 -6.0487E+00 H1 4805 1.008000 0.423800 -7.7219E+00 1.8683E+01 -5.2985E+00 H2 4806 1.008000 0.423800 -7.6996E+00 1.7115E+01 -5.7535E+00 O6 4807 15.999400 -0.847600 7.5736E+00 5.7978E+00 -1.1817E+01 H1 4808 1.008000 0.423800 7.8199E+00 5.4738E+00 -1.2731E+01 H2 4809 1.008000 0.423800 7.9745E+00 6.7011E+00 -1.1665E+01 O6 4810 15.999400 -0.847600 -1.3614E+01 -1.4678E+01 2.8614E+00 H1 4811 1.008000 0.423800 -1.4119E+01 -1.5541E+01 2.8626E+00 H2 4812 1.008000 0.423800 -1.4252E+01 -1.3918E+01 2.7363E+00 O6 4813 15.999400 -0.847600 -1.1875E+01 6.8166E+00 -1.6644E+01 H1 4814 1.008000 0.423800 -1.1848E+01 6.4091E+00 -1.5731E+01 H2 4815 1.008000 0.423800 -1.2784E+01 6.6885E+00 -1.7040E+01 O6 4816 15.999400 -0.847600 1.6793E+01 1.1339E+01 -1.6993E+01 H1 4817 1.008000 0.423800 1.5945E+01 1.0857E+01 -1.6769E+01 H2 4818 1.008000 0.423800 1.6805E+01 1.2224E+01 -1.6528E+01 O6 4819 15.999400 -0.847600 1.4120E+01 -1.3289E+01 -1.9506E+01 H1 4820 1.008000 0.423800 1.4956E+01 -1.3830E+01 1.9501E+01 H2 4821 1.008000 0.423800 1.4356E+01 -1.2324E+01 -1.9395E+01 O6 4822 15.999400 -0.847600 1.2100E+01 1.6865E+01 6.6436E+00 H1 4823 1.008000 0.423800 1.1609E+01 1.6857E+01 7.5145E+00 H2 4824 1.008000 0.423800 1.3018E+01 1.6491E+01 6.7755E+00 O6 4825 15.999400 -0.847600 -9.0646E+00 -1.3757E+01 -2.8782E+00 H1 4826 1.008000 0.423800 -9.0858E+00 -1.4742E+01 -2.7070E+00 H2 4827 1.008000 0.423800 -9.7645E+00 -1.3521E+01 -3.5521E+00 O6 4828 15.999400 -0.847600 -1.1020E+01 3.3555E+00 -1.1408E+01 H1 4829 1.008000 0.423800 -1.0150E+01 3.4890E+00 -1.1883E+01 H2 4830 1.008000 0.423800 -1.0994E+01 3.8262E+00 -1.0526E+01 O6 4831 15.999400 -0.847600 6.8476E+00 3.4391E+00 -7.6607E+00 H1 4832 1.008000 0.423800 7.3154E+00 3.7040E+00 -8.5038E+00 H2 4833 1.008000 0.423800 6.6228E+00 2.4653E+00 -7.6961E+00 O6 4834 15.999400 -0.847600 1.5816E+01 -1.5609E+00 -8.2893E-01 H1 4835 1.008000 0.423800 1.5543E+01 -6.6951E-01 -4.6736E-01 H2 4836 1.008000 0.423800 1.6341E+01 -2.0550E+00 -1.3565E-01 O6 4837 15.999400 -0.847600 1.3034E+01 -3.1745E+00 5.2342E+00 H1 4838 1.008000 0.423800 1.2109E+01 -2.7942E+00 5.2199E+00 H2 4839 1.008000 0.423800 1.3307E+01 -3.3518E+00 6.1798E+00 O6 4840 15.999400 -0.847600 -5.5866E+00 -3.5645E+00 -6.8076E+00 H1 4841 1.008000 0.423800 -6.1817E+00 -2.8769E+00 -7.2237E+00 H2 4842 1.008000 0.423800 -5.6059E+00 -3.4640E+00 -5.8129E+00 O6 4843 15.999400 -0.847600 -2.8961E+00 7.6692E+00 -1.1621E+01 H1 4844 1.008000 0.423800 -2.8100E+00 6.6731E+00 -1.1643E+01 H2 4845 1.008000 0.423800 -2.8309E+00 7.9879E+00 -1.0675E+01 O6 4846 15.999400 -0.847600 -3.0169E+00 1.8649E+01 -1.7450E+01 H1 4847 1.008000 0.423800 -2.9062E+00 1.9224E+01 -1.8261E+01 H2 4848 1.008000 0.423800 -2.1626E+00 1.8162E+01 -1.7268E+01 O6 4849 15.999400 -0.847600 5.9305E+00 -1.3235E+01 -3.0140E+00 H1 4850 1.008000 0.423800 5.9833E+00 -1.2732E+01 -2.1513E+00 H2 4851 1.008000 0.423800 6.3226E+00 -1.2680E+01 -3.7477E+00 O6 4852 15.999400 -0.847600 -6.2679E+00 -1.4766E+01 1.3727E+01 H1 4853 1.008000 0.423800 -6.7726E+00 -1.4074E+01 1.4243E+01 H2 4854 1.008000 0.423800 -5.9453E+00 -1.4371E+01 1.2867E+01 O6 4855 15.999400 -0.847600 -1.4513E+01 4.7230E+00 -1.5489E+01 H1 4856 1.008000 0.423800 -1.5412E+01 4.4858E+00 -1.5855E+01 H2 4857 1.008000 0.423800 -1.3904E+01 3.9328E+00 -1.5561E+01 O6 4858 15.999400 -0.847600 7.9332E+00 -1.7931E+01 -1.8519E+01 H1 4859 1.008000 0.423800 8.1555E+00 -1.8314E+01 -1.7623E+01 H2 4860 1.008000 0.423800 8.2097E+00 -1.8573E+01 -1.9234E+01 O6 4861 15.999400 -0.847600 -1.7326E+01 -8.8208E+00 4.9222E+00 H1 4862 1.008000 0.423800 -1.6435E+01 -9.2730E+00 4.8714E+00 H2 4863 1.008000 0.423800 -1.7872E+01 -9.0697E+00 4.1225E+00 O6 4864 15.999400 -0.847600 1.8423E+01 -1.9709E+00 -2.8557E+00 H1 4865 1.008000 0.423800 1.7550E+01 -1.7736E+00 -3.3006E+00 H2 4866 1.008000 0.423800 1.9066E+01 -2.3346E+00 -3.5300E+00 O6 4867 15.999400 -0.847600 1.0124E+01 -1.2014E+01 1.9427E+00 H1 4868 1.008000 0.423800 9.9254E+00 -1.1480E+01 2.7647E+00 H2 4869 1.008000 0.423800 1.0095E+01 -1.2989E+01 2.1638E+00 O6 4870 15.999400 -0.847600 -1.2096E+01 -1.0769E+01 1.8432E+01 H1 4871 1.008000 0.423800 -1.1499E+01 -1.1229E+01 1.9088E+01 H2 4872 1.008000 0.423800 -1.1745E+01 -1.0908E+01 1.7506E+01 O6 4873 15.999400 -0.847600 1.9445E+01 -1.8891E+01 1.5216E+01 H1 4874 1.008000 0.423800 1.8856E+01 1.9520E+01 1.4790E+01 H2 4875 1.008000 0.423800 1.8988E+01 -1.8001E+01 1.5195E+01 O6 4876 15.999400 -0.847600 -9.1924E-01 -1.7400E+01 -1.5761E+01 H1 4877 1.008000 0.423800 -2.3867E-01 -1.7416E+01 -1.6494E+01 H2 4878 1.008000 0.423800 -9.7150E-01 -1.8303E+01 -1.5335E+01 O6 4879 15.999400 -0.847600 1.9367E+01 2.1118E+00 -1.7827E+01 H1 4880 1.008000 0.423800 1.8946E+01 1.2219E+00 -1.7652E+01 H2 4881 1.008000 0.423800 1.9510E+01 2.5897E+00 -1.6960E+01 O6 4882 15.999400 -0.847600 7.9457E+00 9.3820E+00 2.1198E+00 H1 4883 1.008000 0.423800 8.4564E+00 1.0195E+01 1.8413E+00 H2 4884 1.008000 0.423800 7.6015E+00 9.5071E+00 3.0503E+00 O6 4885 15.999400 -0.847600 -7.2094E+00 -1.2549E+01 1.5612E+01 H1 4886 1.008000 0.423800 -7.4035E+00 -1.1607E+01 1.5886E+01 H2 4887 1.008000 0.423800 -6.2203E+00 -1.2679E+01 1.5543E+01 O6 4888 15.999400 -0.847600 8.3913E+00 -1.1674E+01 -7.9649E+00 H1 4889 1.008000 0.423800 9.3190E+00 -1.1945E+01 -7.7084E+00 H2 4890 1.008000 0.423800 7.7706E+00 -1.1845E+01 -7.1995E+00 O6 4891 15.999400 -0.847600 -7.3561E+00 -1.2210E+00 -4.3871E+00 H1 4892 1.008000 0.423800 -7.1721E+00 -6.1310E-01 -3.6147E+00 H2 4893 1.008000 0.423800 -6.8739E+00 -2.0866E+00 -4.2522E+00 O6 4894 15.999400 -0.847600 9.7099E+00 -2.5166E+00 -1.1136E+01 H1 4895 1.008000 0.423800 9.4302E+00 -1.9907E+00 -1.1939E+01 H2 4896 1.008000 0.423800 1.0672E+01 -2.7741E+00 -1.1225E+01 O6 4897 15.999400 -0.847600 -1.1027E+01 1.5930E+01 -6.2996E+00 H1 4898 1.008000 0.423800 -1.1638E+01 1.5333E+01 -5.7799E+00 H2 4899 1.008000 0.423800 -1.0160E+01 1.5460E+01 -6.4608E+00 O6 4900 15.999400 -0.847600 -1.3019E+01 1.6822E+01 1.9097E+01 H1 4901 1.008000 0.423800 -1.3566E+01 1.6954E+01 1.8271E+01 H2 4902 1.008000 0.423800 -1.3576E+01 1.6375E+01 -1.9300E+01 O6 4903 15.999400 -0.847600 4.0441E+00 -1.6560E+01 -1.7613E+01 H1 4904 1.008000 0.423800 4.4395E+00 -1.7001E+01 -1.8419E+01 H2 4905 1.008000 0.423800 3.0663E+00 -1.6765E+01 -1.7567E+01 O6 4906 15.999400 -0.847600 -3.6882E+00 -1.8420E+01 -3.6755E+00 H1 4907 1.008000 0.423800 -3.1907E+00 -1.8049E+01 -4.4595E+00 H2 4908 1.008000 0.423800 -4.5370E+00 -1.7907E+01 -3.5462E+00 O6 4909 15.999400 -0.847600 -3.0234E+00 -4.7719E+00 -1.6889E+01 H1 4910 1.008000 0.423800 -3.3377E+00 -5.7203E+00 -1.6844E+01 H2 4911 1.008000 0.423800 -2.0452E+00 -4.7543E+00 -1.7095E+01 O6 4912 15.999400 -0.847600 -1.4715E+01 -1.3648E+01 6.0226E+00 H1 4913 1.008000 0.423800 -1.5664E+01 -1.3340E+01 5.9566E+00 H2 4914 1.008000 0.423800 -1.4563E+01 -1.4401E+01 5.3820E+00 O6 4915 15.999400 -0.847600 -2.6278E-01 2.8252E+00 -1.0670E+01 H1 4916 1.008000 0.423800 -7.8409E-01 2.1162E+00 -1.0195E+01 H2 4917 1.008000 0.423800 1.1645E-01 3.4645E+00 -1.0001E+01 O6 4918 15.999400 -0.847600 -2.6637E+00 -8.3553E+00 -1.3551E+01 H1 4919 1.008000 0.423800 -1.8046E+00 -8.4098E+00 -1.4060E+01 H2 4920 1.008000 0.423800 -2.5477E+00 -8.7834E+00 -1.2655E+01 O6 4921 15.999400 -0.847600 1.8605E+01 -1.6140E+01 1.6300E+01 H1 4922 1.008000 0.423800 1.7725E+01 -1.6010E+01 1.5843E+01 H2 4923 1.008000 0.423800 1.9326E+01 -1.5699E+01 1.5765E+01 O6 4924 15.999400 -0.847600 1.6666E+01 -9.5419E+00 3.6067E+00 H1 4925 1.008000 0.423800 1.7052E+01 -8.8825E+00 4.2520E+00 H2 4926 1.008000 0.423800 1.6739E+01 -1.0463E+01 3.9882E+00 O6 4927 15.999400 -0.847600 -1.0667E+01 -4.1031E+00 1.3617E+01 H1 4928 1.008000 0.423800 -1.0738E+01 -4.1632E+00 1.4612E+01 H2 4929 1.008000 0.423800 -1.1452E+01 -4.5582E+00 1.3198E+01 O6 4930 15.999400 -0.847600 8.1089E+00 5.5204E+00 9.8075E+00 H1 4931 1.008000 0.423800 8.1912E+00 6.1768E+00 1.0557E+01 H2 4932 1.008000 0.423800 8.9576E+00 5.5105E+00 9.2787E+00 O6 4933 15.999400 -0.847600 -1.2480E+01 -1.8872E+01 2.5248E+00 H1 4934 1.008000 0.423800 -1.1775E+01 -1.8165E+01 2.5832E+00 H2 4935 1.008000 0.423800 -1.2124E+01 1.9368E+01 2.8960E+00 O6 4936 15.999400 -0.847600 -5.5811E+00 -1.2577E+01 1.1971E+01 H1 4937 1.008000 0.423800 -5.0753E+00 -1.3251E+01 1.1433E+01 H2 4938 1.008000 0.423800 -6.4794E+00 -1.2427E+01 1.1558E+01 O6 4939 15.999400 -0.847600 9.1322E+00 8.8794E+00 -1.8766E+01 H1 4940 1.008000 0.423800 9.1968E+00 9.7814E+00 -1.8339E+01 H2 4941 1.008000 0.423800 8.7008E+00 8.2396E+00 -1.8130E+01 O6 4942 15.999400 -0.847600 7.7364E+00 -1.2003E+01 1.2815E+01 H1 4943 1.008000 0.423800 8.1546E+00 -1.2617E+01 1.2145E+01 H2 4944 1.008000 0.423800 6.8418E+00 -1.1706E+01 1.2481E+01 O6 4945 15.999400 -0.847600 1.1442E+01 -1.3362E+01 9.7759E+00 H1 4946 1.008000 0.423800 1.1427E+01 -1.3441E+01 8.7791E+00 H2 4947 1.008000 0.423800 1.1967E+01 -1.2553E+01 1.0038E+01 O6 4948 15.999400 -0.847600 -1.5007E+00 1.1356E+00 9.4765E+00 H1 4949 1.008000 0.423800 -1.8095E+00 3.7608E-01 8.9040E+00 H2 4950 1.008000 0.423800 -8.7918E-01 7.9132E-01 1.0180E+01 O6 4951 15.999400 -0.847600 1.7052E+01 -1.1115E+01 -1.6494E+01 H1 4952 1.008000 0.423800 1.7236E+01 -1.0135E+01 -1.6418E+01 H2 4953 1.008000 0.423800 1.7318E+01 -1.1571E+01 -1.5645E+01 O6 4954 15.999400 -0.847600 -5.7767E+00 -9.4051E+00 8.4559E-01 H1 4955 1.008000 0.423800 -5.6220E+00 -9.1954E+00 1.8111E+00 H2 4956 1.008000 0.423800 -5.3665E+00 -1.0290E+01 6.2699E-01 O6 4957 15.999400 -0.847600 1.5914E+01 1.7402E+01 1.6371E+01 H1 4958 1.008000 0.423800 1.5499E+01 1.6553E+01 1.6044E+01 H2 4959 1.008000 0.423800 1.6222E+01 1.7281E+01 1.7315E+01 O6 4960 15.999400 -0.847600 5.3400E+00 2.2639E+00 9.0216E+00 H1 4961 1.008000 0.423800 5.4114E+00 3.1118E+00 8.4963E+00 H2 4962 1.008000 0.423800 6.2279E+00 2.0475E+00 9.4274E+00 O6 4963 15.999400 -0.847600 1.5697E-01 -1.8855E+01 2.9485E+00 H1 4964 1.008000 0.423800 4.3283E-01 1.9293E+01 3.1007E+00 H2 4965 1.008000 0.423800 9.6804E-01 -1.8296E+01 2.7780E+00 O6 4966 15.999400 -0.847600 2.4975E+00 -1.2428E+01 -9.2204E+00 H1 4967 1.008000 0.423800 1.8008E+00 -1.1727E+01 -9.0690E+00 H2 4968 1.008000 0.423800 2.4752E+00 -1.2719E+01 -1.0177E+01 O6 4969 15.999400 -0.847600 9.1473E+00 -1.7510E+01 1.6006E+01 H1 4970 1.008000 0.423800 9.7639E+00 -1.8089E+01 1.6538E+01 H2 4971 1.008000 0.423800 8.2059E+00 -1.7657E+01 1.6309E+01 O6 4972 15.999400 -0.847600 8.8427E+00 -1.7314E+01 -3.3827E+00 H1 4973 1.008000 0.423800 8.5531E+00 -1.7208E+01 -4.3340E+00 H2 4974 1.008000 0.423800 9.4551E+00 -1.6563E+01 -3.1354E+00 O6 4975 15.999400 -0.847600 -7.6921E+00 -3.8297E+00 -1.1330E+01 H1 4976 1.008000 0.423800 -7.9624E+00 -4.5949E+00 -1.0746E+01 H2 4977 1.008000 0.423800 -7.1874E+00 -4.1762E+00 -1.2121E+01 O6 4978 15.999400 -0.847600 -9.2159E+00 -4.6685E+00 -1.4987E+01 H1 4979 1.008000 0.423800 -1.0197E+01 -4.4835E+00 -1.5038E+01 H2 4980 1.008000 0.423800 -8.7752E+00 -4.3625E+00 -1.5831E+01 O6 4981 15.999400 -0.847600 -1.2885E+01 1.0015E+01 1.4143E+01 H1 4982 1.008000 0.423800 -1.2270E+01 1.0779E+01 1.4338E+01 H2 4983 1.008000 0.423800 -1.2348E+01 9.2131E+00 1.3880E+01 O6 4984 15.999400 -0.847600 1.3287E+01 -2.5695E+00 1.4090E+01 H1 4985 1.008000 0.423800 1.3119E+01 -2.8135E+00 1.5046E+01 H2 4986 1.008000 0.423800 1.3889E+01 -3.2502E+00 1.3673E+01 O6 4987 15.999400 -0.847600 4.4256E-01 7.5442E+00 -8.3462E+00 H1 4988 1.008000 0.423800 1.2620E+00 8.1087E+00 -8.4452E+00 H2 4989 1.008000 0.423800 -3.3570E-01 8.0096E+00 -8.7677E+00 O6 4990 15.999400 -0.847600 -1.4800E+00 -1.6040E+01 -1.1783E+00 H1 4991 1.008000 0.423800 -8.6379E-01 -1.6810E+01 -1.0134E+00 H2 4992 1.008000 0.423800 -1.3404E+00 -1.5694E+01 -2.1062E+00 O6 4993 15.999400 -0.847600 -8.8770E+00 -6.2278E+00 1.1622E+01 H1 4994 1.008000 0.423800 -7.8798E+00 -6.3029E+00 1.1629E+01 H2 4995 1.008000 0.423800 -9.1598E+00 -5.4817E+00 1.2224E+01 O6 4996 15.999400 -0.847600 -8.3270E+00 -5.3172E+00 6.2631E+00 H1 4997 1.008000 0.423800 -8.9877E+00 -5.1117E+00 6.9850E+00 H2 4998 1.008000 0.423800 -7.9979E+00 -6.2555E+00 6.3698E+00 O6 4999 15.999400 -0.847600 -7.5170E+00 1.7397E+01 -1.5442E+01 H1 5000 1.008000 0.423800 -7.3401E+00 1.7539E+01 -1.4468E+01 H2 5001 1.008000 0.423800 -8.1355E+00 1.8109E+01 -1.5776E+01 O6 5002 15.999400 -0.847600 8.7845E-01 1.5448E+01 1.3146E+01 H1 5003 1.008000 0.423800 1.1408E+00 1.6162E+01 1.2496E+01 H2 5004 1.008000 0.423800 9.9006E-01 1.5790E+01 1.4079E+01 O6 5005 15.999400 -0.847600 -1.6191E+01 -1.6265E+01 9.4025E-01 H1 5006 1.008000 0.423800 -1.5497E+01 -1.6389E+01 2.3111E-01 H2 5007 1.008000 0.423800 -1.5869E+01 -1.6670E+01 1.7960E+00 O6 5008 15.999400 -0.847600 4.0566E+00 -1.4233E+01 2.6998E+00 H1 5009 1.008000 0.423800 3.2369E+00 -1.3796E+01 3.0702E+00 H2 5010 1.008000 0.423800 4.5601E+00 -1.4679E+01 3.4399E+00 O6 5011 15.999400 -0.847600 1.5968E+01 9.7762E+00 -4.6559E+00 H1 5012 1.008000 0.423800 1.6209E+01 1.0740E+01 -4.5451E+00 H2 5013 1.008000 0.423800 1.6786E+01 9.2128E+00 -4.5408E+00 O6 5014 15.999400 -0.847600 -1.4945E+01 7.2625E+00 -1.4603E+01 H1 5015 1.008000 0.423800 -1.4442E+01 7.4791E+00 -1.3766E+01 H2 5016 1.008000 0.423800 -1.4755E+01 6.3180E+00 -1.4871E+01 O6 5017 15.999400 -0.847600 1.2960E+01 -6.4305E+00 -3.3512E+00 H1 5018 1.008000 0.423800 1.2349E+01 -6.1266E+00 -4.0819E+00 H2 5019 1.008000 0.423800 1.2419E+01 -6.8001E+00 -2.5959E+00 O6 5020 15.999400 -0.847600 -7.5850E+00 2.4788E-01 1.3734E+01 H1 5021 1.008000 0.423800 -6.5951E+00 3.2030E-01 1.3856E+01 H2 5022 1.008000 0.423800 -7.7822E+00 -3.4901E-01 1.2956E+01 O6 5023 15.999400 -0.847600 1.0327E+01 -1.6065E+01 -1.5121E+01 H1 5024 1.008000 0.423800 1.0141E+01 -1.6285E+01 -1.6079E+01 H2 5025 1.008000 0.423800 1.0728E+01 -1.6862E+01 -1.4668E+01 O6 5026 15.999400 -0.847600 4.7560E+00 -1.2529E+01 -1.5738E+01 H1 5027 1.008000 0.423800 5.0388E+00 -1.2810E+01 -1.4821E+01 H2 5028 1.008000 0.423800 5.3687E+00 -1.2936E+01 -1.6415E+01 O6 5029 15.999400 -0.847600 -1.0606E+01 -2.5733E+00 5.1708E+00 H1 5030 1.008000 0.423800 -9.6383E+00 -2.7866E+00 5.3046E+00 H2 5031 1.008000 0.423800 -1.1127E+01 -3.4233E+00 5.0897E+00 O6 5032 15.999400 -0.847600 -1.8654E+01 1.6001E+01 1.1890E+01 H1 5033 1.008000 0.423800 -1.9305E+01 1.6193E+01 1.2625E+01 H2 5034 1.008000 0.423800 -1.8513E+01 1.6828E+01 1.1346E+01 O6 5035 15.999400 -0.847600 7.4768E+00 -6.2731E+00 -2.1394E+00 H1 5036 1.008000 0.423800 8.1772E+00 -6.3870E+00 -1.4348E+00 H2 5037 1.008000 0.423800 7.4060E+00 -7.1128E+00 -2.6778E+00 O6 5038 15.999400 -0.847600 1.4421E+01 1.9203E+01 6.6268E+00 H1 5039 1.008000 0.423800 1.5325E+01 1.9407E+01 6.2495E+00 H2 5040 1.008000 0.423800 1.3869E+01 1.8736E+01 5.9362E+00 O6 5041 15.999400 -0.847600 -7.0232E+00 5.4677E+00 -6.2449E+00 H1 5042 1.008000 0.423800 -7.4594E+00 6.0185E+00 -6.9566E+00 H2 5043 1.008000 0.423800 -7.7259E+00 5.0551E+00 -5.6653E+00 O6 5044 15.999400 -0.847600 8.0144E+00 1.7458E+01 8.7078E+00 H1 5045 1.008000 0.423800 7.0396E+00 1.7273E+01 8.8323E+00 H2 5046 1.008000 0.423800 8.4832E+00 1.7382E+01 9.5878E+00 O6 5047 15.999400 -0.847600 1.0619E+01 -1.0568E+01 -1.3374E+01 H1 5048 1.008000 0.423800 1.0051E+01 -9.7985E+00 -1.3665E+01 H2 5049 1.008000 0.423800 1.0043E+01 -1.1374E+01 -1.3235E+01 O6 5050 15.999400 -0.847600 -2.0014E+00 1.0937E+00 -1.8745E+01 H1 5051 1.008000 0.423800 -2.8170E+00 1.2282E+00 -1.8182E+01 H2 5052 1.008000 0.423800 -2.2744E+00 8.2463E-01 1.9429E+01 O6 5053 15.999400 -0.847600 -7.3306E+00 -7.7476E+00 5.4116E+00 H1 5054 1.008000 0.423800 -7.8256E+00 -7.3965E+00 4.6168E+00 H2 5055 1.008000 0.423800 -6.3465E+00 -7.6887E+00 5.2440E+00 O6 5056 15.999400 -0.847600 -1.7191E+01 1.1388E+01 -6.6896E+00 H1 5057 1.008000 0.423800 -1.7231E+01 1.1724E+01 -5.7487E+00 H2 5058 1.008000 0.423800 -1.6896E+01 1.2127E+01 -7.2954E+00 O6 5059 15.999400 -0.847600 1.0190E+01 1.5574E+01 -1.9378E+00 H1 5060 1.008000 0.423800 9.8997E+00 1.6314E+01 -2.5436E+00 H2 5061 1.008000 0.423800 1.0986E+01 1.5114E+01 -2.3316E+00 O6 5062 15.999400 -0.847600 8.4682E+00 -1.5245E+01 1.3675E+01 H1 5063 1.008000 0.423800 8.7252E+00 -1.4894E+01 1.2775E+01 H2 5064 1.008000 0.423800 9.2009E+00 -1.5054E+01 1.4328E+01 O6 5065 15.999400 -0.847600 6.2627E+00 1.5151E+01 4.7023E+00 H1 5066 1.008000 0.423800 5.6113E+00 1.4460E+01 5.0155E+00 H2 5067 1.008000 0.423800 5.8663E+00 1.5661E+01 3.9390E+00 O6 5068 15.999400 -0.847600 -1.2867E+01 1.8764E+01 1.2620E+01 H1 5069 1.008000 0.423800 -1.3163E+01 1.9039E+01 1.3534E+01 H2 5070 1.008000 0.423800 -1.3292E+01 1.7891E+01 1.2380E+01 O6 5071 15.999400 -0.847600 1.8814E+01 1.1272E+01 6.5299E+00 H1 5072 1.008000 0.423800 1.9382E+01 1.0573E+01 6.0935E+00 H2 5073 1.008000 0.423800 1.8584E+01 1.0981E+01 7.4585E+00 O6 5074 15.999400 -0.847600 1.5475E+01 -1.6768E+01 -1.8626E+01 H1 5075 1.008000 0.423800 1.5767E+01 -1.5820E+01 -1.8757E+01 H2 5076 1.008000 0.423800 1.5117E+01 -1.6881E+01 -1.7700E+01 O6 5077 15.999400 -0.847600 8.6813E+00 -1.2459E+01 -1.8500E+01 H1 5078 1.008000 0.423800 8.5150E+00 -1.1640E+01 -1.9048E+01 H2 5079 1.008000 0.423800 9.4974E+00 -1.2324E+01 -1.7938E+01 O6 5080 15.999400 -0.847600 -4.7555E+00 -1.3289E+01 6.8405E+00 H1 5081 1.008000 0.423800 -5.4613E+00 -1.3788E+01 7.3435E+00 H2 5082 1.008000 0.423800 -4.7551E+00 -1.2331E+01 7.1283E+00 O6 5083 15.999400 -0.847600 -1.5400E+01 8.3834E-01 -1.5299E+01 H1 5084 1.008000 0.423800 -1.6339E+01 6.8674E-01 -1.4990E+01 H2 5085 1.008000 0.423800 -1.4990E+01 -3.5473E-02 -1.5560E+01 O6 5086 15.999400 -0.847600 -1.5448E+01 -1.5042E+01 -1.8367E+01 H1 5087 1.008000 0.423800 -1.5871E+01 -1.4195E+01 -1.8688E+01 H2 5088 1.008000 0.423800 -1.4765E+01 -1.4830E+01 -1.7668E+01 O6 5089 15.999400 -0.847600 -1.4877E+01 -5.1518E+00 -1.7305E+01 H1 5090 1.008000 0.423800 -1.3970E+01 -5.5703E+00 -1.7347E+01 H2 5091 1.008000 0.423800 -1.4845E+01 -4.2443E+00 -1.7723E+01 O6 5092 15.999400 -0.847600 -1.4150E+01 -1.3542E+01 1.4361E+01 H1 5093 1.008000 0.423800 -1.3961E+01 -1.4109E+01 1.5163E+01 H2 5094 1.008000 0.423800 -1.4342E+01 -1.2605E+01 1.4654E+01 O6 5095 15.999400 -0.847600 -7.0041E-01 -4.9617E+00 -1.8446E+01 H1 5096 1.008000 0.423800 -3.9123E-01 -5.7156E+00 -1.9026E+01 H2 5097 1.008000 0.423800 -1.0562E+00 -4.2241E+00 -1.9020E+01 O6 5098 15.999400 -0.847600 8.5650E+00 1.6395E+01 -7.5076E+00 H1 5099 1.008000 0.423800 8.5172E+00 1.5769E+01 -8.2867E+00 H2 5100 1.008000 0.423800 7.8994E+00 1.6116E+01 -6.8154E+00 O6 5101 15.999400 -0.847600 8.0527E+00 -4.6940E+00 -1.1439E+01 H1 5102 1.008000 0.423800 8.4973E+00 -3.9619E+00 -1.0923E+01 H2 5103 1.008000 0.423800 7.4154E+00 -4.2968E+00 -1.2099E+01 O6 5104 15.999400 -0.847600 8.4410E+00 1.4525E+01 -1.2876E+01 H1 5105 1.008000 0.423800 7.7116E+00 1.4032E+01 -1.2401E+01 H2 5106 1.008000 0.423800 8.4501E+00 1.5478E+01 -1.2574E+01 O6 5107 15.999400 -0.847600 -2.3677E+00 6.6040E+00 -1.8865E+01 H1 5108 1.008000 0.423800 -3.3403E+00 6.8361E+00 -1.8876E+01 H2 5109 1.008000 0.423800 -2.2069E+00 5.8136E+00 -1.9456E+01 O6 5110 15.999400 -0.847600 -1.1178E+01 1.0790E+01 -4.0197E+00 H1 5111 1.008000 0.423800 -1.1798E+01 1.1249E+01 -4.6564E+00 H2 5112 1.008000 0.423800 -1.1711E+01 1.0281E+01 -3.3439E+00 O6 5113 15.999400 -0.847600 8.4490E+00 1.0582E+01 -1.0511E+01 H1 5114 1.008000 0.423800 8.2694E+00 9.6627E+00 -1.0863E+01 H2 5115 1.008000 0.423800 8.6159E+00 1.0535E+01 -9.5265E+00 O6 5116 15.999400 -0.847600 1.0632E+01 1.4999E+01 2.4826E+00 H1 5117 1.008000 0.423800 1.0818E+01 1.5371E+01 3.3918E+00 H2 5118 1.008000 0.423800 1.1165E+01 1.5501E+01 1.8013E+00 O6 5119 15.999400 -0.847600 7.7485E-01 -7.6111E+00 -9.6034E+00 H1 5120 1.008000 0.423800 6.5337E-01 -7.3945E+00 -1.0572E+01 H2 5121 1.008000 0.423800 1.3830E+00 -6.9366E+00 -9.1849E+00 O6 5122 15.999400 -0.847600 -7.3379E+00 1.2951E+01 -4.7094E+00 H1 5123 1.008000 0.423800 -6.7592E+00 1.2137E+01 -4.7610E+00 H2 5124 1.008000 0.423800 -7.9602E+00 1.2868E+01 -3.9309E+00 O6 5125 15.999400 -0.847600 -5.0676E+00 -4.4442E+00 5.3863E+00 H1 5126 1.008000 0.423800 -5.9918E+00 -4.7894E+00 5.2229E+00 H2 5127 1.008000 0.423800 -4.6137E+00 -5.0170E+00 6.0688E+00 O6 5128 15.999400 -0.847600 -2.1947E+00 7.3733E+00 -5.6859E+00 H1 5129 1.008000 0.423800 -3.0946E+00 7.1849E+00 -6.0794E+00 H2 5130 1.008000 0.423800 -1.9495E+00 8.3276E+00 -5.8565E+00 O6 5131 15.999400 -0.847600 -4.1125E+00 9.1712E+00 1.3497E+01 H1 5132 1.008000 0.423800 -3.3846E+00 9.0841E+00 1.4178E+01 H2 5133 1.008000 0.423800 -3.9544E+00 8.5203E+00 1.2755E+01 O6 5134 15.999400 -0.847600 1.9394E+01 -1.9223E+01 1.8192E+01 H1 5135 1.008000 0.423800 1.9214E+01 -1.8963E+01 1.7243E+01 H2 5136 1.008000 0.423800 -1.8727E+01 -1.9406E+01 1.8308E+01 O6 5137 15.999400 -0.847600 1.2348E+01 9.4717E+00 -7.2093E+00 H1 5138 1.008000 0.423800 1.3290E+01 9.1597E+00 -7.3317E+00 H2 5139 1.008000 0.423800 1.1961E+01 9.0510E+00 -6.3886E+00 O6 5140 15.999400 -0.847600 1.0144E+00 -1.3779E+01 -1.6027E+01 H1 5141 1.008000 0.423800 6.1584E-01 -1.4146E+01 -1.6868E+01 H2 5142 1.008000 0.423800 1.3146E+00 -1.4533E+01 -1.5443E+01 O6 5143 15.999400 -0.847600 5.0651E+00 -7.6568E+00 -1.4091E+00 H1 5144 1.008000 0.423800 5.7449E+00 -6.9981E+00 -1.7318E+00 H2 5145 1.008000 0.423800 4.7595E+00 -8.2226E+00 -2.1749E+00 O6 5146 15.999400 -0.847600 -1.6605E+01 1.0613E+01 -1.8907E+01 H1 5147 1.008000 0.423800 -1.5787E+01 1.0354E+01 -1.8393E+01 H2 5148 1.008000 0.423800 -1.7234E+01 1.1107E+01 -1.8306E+01 O6 5149 15.999400 -0.847600 4.4260E+00 4.5147E+00 -1.8950E+01 H1 5150 1.008000 0.423800 5.0223E+00 4.7865E+00 1.9392E+01 H2 5151 1.008000 0.423800 3.4726E+00 4.5460E+00 -1.9250E+01 O6 5152 15.999400 -0.847600 -1.5976E+01 7.7298E+00 5.5138E+00 H1 5153 1.008000 0.423800 -1.5787E+01 7.5890E+00 4.5419E+00 H2 5154 1.008000 0.423800 -1.6618E+01 7.0329E+00 5.8328E+00 O6 5155 15.999400 -0.847600 -7.5180E+00 -1.4496E+01 -8.8894E+00 H1 5156 1.008000 0.423800 -7.1728E+00 -1.4972E+01 -8.0803E+00 H2 5157 1.008000 0.423800 -6.7484E+00 -1.4161E+01 -9.4327E+00 O6 5158 15.999400 -0.847600 1.4831E+01 -3.0613E-02 -1.4201E+01 H1 5159 1.008000 0.423800 1.4073E+01 1.9076E-01 -1.4815E+01 H2 5160 1.008000 0.423800 1.4596E+01 2.4481E-01 -1.3269E+01 O6 5161 15.999400 -0.847600 -1.8936E+00 8.9757E+00 1.4864E+01 H1 5162 1.008000 0.423800 -1.6270E+00 9.8299E+00 1.5310E+01 H2 5163 1.008000 0.423800 -1.0904E+00 8.3891E+00 1.4760E+01 O6 5164 15.999400 -0.847600 -7.0609E-01 -5.1903E+00 1.7809E+01 H1 5165 1.008000 0.423800 -1.0801E+00 -4.2929E+00 1.8044E+01 H2 5166 1.008000 0.423800 2.8602E-01 -5.1210E+00 1.7705E+01 O6 5167 15.999400 -0.847600 8.6949E+00 1.2049E+00 2.3482E+00 H1 5168 1.008000 0.423800 9.0907E+00 1.5858E+00 3.1838E+00 H2 5169 1.008000 0.423800 9.4288E+00 9.2980E-01 1.7272E+00 O6 5170 15.999400 -0.847600 1.9192E+01 -1.4638E+01 -1.2686E+01 H1 5171 1.008000 0.423800 -1.9339E+01 -1.4367E+01 -1.1907E+01 H2 5172 1.008000 0.423800 1.9176E+01 -1.5635E+01 -1.2754E+01 O6 5173 15.999400 -0.847600 -8.5693E+00 1.3261E+01 -1.3662E+01 H1 5174 1.008000 0.423800 -9.2769E+00 1.3705E+01 -1.3112E+01 H2 5175 1.008000 0.423800 -8.6850E+00 1.2269E+01 -1.3616E+01 O6 5176 15.999400 -0.847600 -4.1342E+00 1.7246E+01 1.9202E+01 H1 5177 1.008000 0.423800 -3.9692E+00 1.7782E+01 -1.9068E+01 H2 5178 1.008000 0.423800 -3.9279E+00 1.7802E+01 1.8397E+01 O6 5179 15.999400 -0.847600 3.3090E+00 1.0617E+01 1.0543E+00 H1 5180 1.008000 0.423800 2.8826E+00 1.0595E+01 1.9585E+00 H2 5181 1.008000 0.423800 4.2993E+00 1.0516E+01 1.1502E+00 O6 5182 15.999400 -0.847600 1.2256E+01 -5.8540E+00 1.0795E+00 H1 5183 1.008000 0.423800 1.1420E+01 -5.3139E+00 9.7634E-01 H2 5184 1.008000 0.423800 1.3043E+01 -5.2410E+00 1.1476E+00 O6 5185 15.999400 -0.847600 -1.2513E+01 -1.7046E+01 -1.3165E+01 H1 5186 1.008000 0.423800 -1.1926E+01 -1.6369E+01 -1.2721E+01 H2 5187 1.008000 0.423800 -1.3255E+01 -1.7300E+01 -1.2545E+01 O6 5188 15.999400 -0.847600 1.1558E+01 1.1294E+00 4.7020E+00 H1 5189 1.008000 0.423800 1.2109E+01 1.0097E+00 3.8761E+00 H2 5190 1.008000 0.423800 1.1892E+01 5.1489E-01 5.4170E+00 O6 5191 15.999400 -0.847600 6.3421E+00 -7.6792E+00 2.4994E+00 H1 5192 1.008000 0.423800 5.3985E+00 -7.9968E+00 2.5934E+00 H2 5193 1.008000 0.423800 6.8220E+00 -8.2522E+00 1.8350E+00 O6 5194 15.999400 -0.847600 1.2126E+01 -3.0425E-02 1.4371E+01 H1 5195 1.008000 0.423800 1.2647E+01 5.8228E-01 1.4965E+01 H2 5196 1.008000 0.423800 1.2712E+01 -7.8416E-01 1.4074E+01 O6 5197 15.999400 -0.847600 -1.1694E+01 5.3122E+00 -1.4336E+01 H1 5198 1.008000 0.423800 -1.2253E+01 4.5967E+00 -1.3917E+01 H2 5199 1.008000 0.423800 -1.0744E+01 5.0039E+00 -1.4392E+01 O6 5200 15.999400 -0.847600 1.8794E+01 -1.0453E+01 -2.1951E-01 H1 5201 1.008000 0.423800 1.9369E+01 -1.0908E+01 4.6058E-01 H2 5202 1.008000 0.423800 1.8345E+01 -1.1142E+01 -7.8948E-01 O6 5203 15.999400 -0.847600 3.2385E+00 1.5701E+01 -1.9364E+01 H1 5204 1.008000 0.423800 4.1026E+00 1.5200E+01 -1.9311E+01 H2 5205 1.008000 0.423800 2.4987E+00 1.5066E+01 1.9510E+01 O6 5206 15.999400 -0.847600 2.0603E+00 -1.2844E+01 5.0094E+00 H1 5207 1.008000 0.423800 1.7758E+00 -1.3764E+01 5.2782E+00 H2 5208 1.008000 0.423800 1.7222E+00 -1.2182E+01 5.6781E+00 O6 5209 15.999400 -0.847600 1.7243E+01 -5.0689E+00 3.7347E+00 H1 5210 1.008000 0.423800 1.6515E+01 -4.3843E+00 3.7034E+00 H2 5211 1.008000 0.423800 1.8130E+01 -4.6164E+00 3.6426E+00 O6 5212 15.999400 -0.847600 -1.5276E+01 7.6091E+00 1.2479E+01 H1 5213 1.008000 0.423800 -1.4632E+01 8.1343E+00 1.1923E+01 H2 5214 1.008000 0.423800 -1.5490E+01 8.1195E+00 1.3312E+01 O6 5215 15.999400 -0.847600 1.5351E+01 -8.8620E+00 9.8188E+00 H1 5216 1.008000 0.423800 1.4905E+01 -8.6492E+00 1.0688E+01 H2 5217 1.008000 0.423800 1.6343E+01 -8.8365E+00 9.9377E+00 O6 5218 15.999400 -0.847600 -5.0318E-01 2.4749E+00 1.6597E+01 H1 5219 1.008000 0.423800 -1.3521E+00 2.9675E+00 1.6405E+01 H2 5220 1.008000 0.423800 -2.2445E-02 2.9204E+00 1.7352E+01 O6 5221 15.999400 -0.847600 1.4761E+00 1.7667E+01 -8.0947E+00 H1 5222 1.008000 0.423800 1.5192E+00 1.7113E+01 -8.9257E+00 H2 5223 1.008000 0.423800 1.0623E+00 1.8553E+01 -8.3060E+00 O6 5224 15.999400 -0.847600 -1.4097E+01 -1.8099E+00 -9.9960E-01 H1 5225 1.008000 0.423800 -1.5023E+01 -2.1145E+00 -1.2225E+00 H2 5226 1.008000 0.423800 -1.4035E+01 -8.1859E-01 -1.1155E+00 O6 5227 15.999400 -0.847600 -9.7574E+00 1.9051E+01 -1.2047E+01 H1 5228 1.008000 0.423800 -1.0042E+01 1.8138E+01 -1.1753E+01 H2 5229 1.008000 0.423800 -1.0273E+01 1.9314E+01 -1.2863E+01 O6 5230 15.999400 -0.847600 1.8576E+00 -1.5759E+01 -1.4425E+01 H1 5231 1.008000 0.423800 2.6623E+00 -1.5602E+01 -1.3852E+01 H2 5232 1.008000 0.423800 1.8871E+00 -1.6688E+01 -1.4794E+01 O6 5233 15.999400 -0.847600 -9.7829E+00 -2.2522E+00 -1.8800E+01 H1 5234 1.008000 0.423800 -1.0485E+01 -1.6157E+00 -1.8480E+01 H2 5235 1.008000 0.423800 -9.4766E+00 -1.9795E+00 1.9385E+01 O6 5236 15.999400 -0.847600 8.2046E+00 1.3768E+01 -1.9401E+00 H1 5237 1.008000 0.423800 8.9198E+00 1.4441E+01 -1.7517E+00 H2 5238 1.008000 0.423800 7.3256E+00 1.4234E+01 -2.0391E+00 O6 5239 15.999400 -0.847600 1.0595E+01 -5.5028E+00 1.1236E+01 H1 5240 1.008000 0.423800 9.7171E+00 -5.0854E+00 1.1002E+01 H2 5241 1.008000 0.423800 1.1291E+01 -5.2036E+00 1.0583E+01 O6 5242 15.999400 -0.847600 5.6344E+00 -5.5310E+00 -1.9286E+01 H1 5243 1.008000 0.423800 5.5791E+00 -6.4438E+00 -1.8881E+01 H2 5244 1.008000 0.423800 5.7741E+00 -5.6121E+00 1.8825E+01 O6 5245 15.999400 -0.847600 1.7358E+01 -1.2311E+01 -2.0957E+00 H1 5246 1.008000 0.423800 1.6793E+01 -1.1511E+01 -2.2989E+00 H2 5247 1.008000 0.423800 1.6770E+01 -1.3111E+01 -1.9717E+00 O6 5248 15.999400 -0.847600 -1.5411E+01 -1.0792E+01 7.5954E+00 H1 5249 1.008000 0.423800 -1.6212E+01 -1.1167E+01 7.1294E+00 H2 5250 1.008000 0.423800 -1.4646E+01 -1.0737E+01 6.9527E+00 O6 5251 15.999400 -0.847600 -1.8228E+01 -1.6108E+00 2.8289E-01 H1 5252 1.008000 0.423800 -1.8473E+01 -2.5799E+00 2.5793E-01 H2 5253 1.008000 0.423800 -1.7653E+01 -1.3921E+00 -5.0596E-01 O6 5254 15.999400 -0.847600 7.9805E-01 1.1174E+01 1.2476E+01 H1 5255 1.008000 0.423800 1.5959E-01 1.1758E+01 1.2977E+01 H2 5256 1.008000 0.423800 1.4597E+00 1.0779E+01 1.3113E+01 O6 5257 15.999400 -0.847600 -1.6440E+01 1.6623E+01 1.9437E+01 H1 5258 1.008000 0.423800 -1.6692E+01 1.5859E+01 1.8843E+01 H2 5259 1.008000 0.423800 -1.5559E+01 1.6432E+01 -1.9228E+01 O6 5260 15.999400 -0.847600 5.5366E+00 -1.9861E+00 8.5861E+00 H1 5261 1.008000 0.423800 4.8737E+00 -1.2376E+00 8.5654E+00 H2 5262 1.008000 0.423800 6.2992E+00 -1.7393E+00 9.1841E+00 O6 5263 15.999400 -0.847600 3.7941E+00 1.0013E+01 -1.3346E+01 H1 5264 1.008000 0.423800 3.8849E+00 1.1001E+01 -1.3467E+01 H2 5265 1.008000 0.423800 2.9895E+00 9.8180E+00 -1.2785E+01 O6 5266 15.999400 -0.847600 7.7042E+00 -6.8426E+00 -7.3208E+00 H1 5267 1.008000 0.423800 7.2775E+00 -6.2285E+00 -6.6568E+00 H2 5268 1.008000 0.423800 7.0012E+00 -7.2260E+00 -7.9198E+00 O6 5269 15.999400 -0.847600 1.7906E+00 -1.2246E+01 2.5631E+00 H1 5270 1.008000 0.423800 1.9216E+00 -1.2527E+01 3.5138E+00 H2 5271 1.008000 0.423800 8.5982E-01 -1.2470E+01 2.2745E+00 O6 5272 15.999400 -0.847600 2.8349E+00 -3.2178E+00 1.6173E+01 H1 5273 1.008000 0.423800 3.8202E+00 -3.1575E+00 1.6013E+01 H2 5274 1.008000 0.423800 2.6312E+00 -4.0509E+00 1.6687E+01 O6 5275 15.999400 -0.847600 -1.4022E+01 -1.5033E+01 -1.6062E+01 H1 5276 1.008000 0.423800 -1.4094E+01 -1.6009E+01 -1.5855E+01 H2 5277 1.008000 0.423800 -1.4522E+01 -1.4508E+01 -1.5374E+01 O6 5278 15.999400 -0.847600 -1.8834E+01 -4.0278E+00 8.5849E+00 H1 5279 1.008000 0.423800 -1.8273E+01 -4.0288E+00 7.7571E+00 H2 5280 1.008000 0.423800 -1.8997E+01 -4.9698E+00 8.8783E+00 O6 5281 15.999400 -0.847600 -1.7020E+01 -1.7546E+01 -1.7435E+01 H1 5282 1.008000 0.423800 -1.6951E+01 -1.7832E+01 -1.6480E+01 H2 5283 1.008000 0.423800 -1.6247E+01 -1.6954E+01 -1.7663E+01 O6 5284 15.999400 -0.847600 -1.7062E+01 -1.5523E+00 8.6735E+00 H1 5285 1.008000 0.423800 -1.7442E+01 -2.3608E+00 9.1228E+00 H2 5286 1.008000 0.423800 -1.7501E+01 -1.4282E+00 7.7836E+00 O6 5287 15.999400 -0.847600 6.3252E+00 -1.0036E+01 -1.6768E+01 H1 5288 1.008000 0.423800 5.7000E+00 -1.0479E+01 -1.6125E+01 H2 5289 1.008000 0.423800 7.2690E+00 -1.0248E+01 -1.6514E+01 O6 5290 15.999400 -0.847600 1.0262E+00 -6.3356E+00 -1.2537E+01 H1 5291 1.008000 0.423800 4.2562E-01 -5.5362E+00 -1.2520E+01 H2 5292 1.008000 0.423800 1.9413E+00 -6.0714E+00 -1.2232E+01 O6 5293 15.999400 -0.847600 8.4401E+00 1.7303E+01 -1.2403E+01 H1 5294 1.008000 0.423800 9.1543E+00 1.7978E+01 -1.2219E+01 H2 5295 1.008000 0.423800 7.6460E+00 1.7492E+01 -1.1825E+01 O6 5296 15.999400 -0.847600 6.0841E+00 1.0219E+00 -8.0988E+00 H1 5297 1.008000 0.423800 5.8873E+00 3.1007E-01 -8.7730E+00 H2 5298 1.008000 0.423800 5.8203E+00 7.0139E-01 -7.1891E+00 O6 5299 15.999400 -0.847600 -5.5574E+00 5.0018E+00 -8.9543E+00 H1 5300 1.008000 0.423800 -5.2974E+00 4.5730E+00 -8.0892E+00 H2 5301 1.008000 0.423800 -5.4422E+00 4.3452E+00 -9.6996E+00 O6 5302 15.999400 -0.847600 5.0267E+00 1.2718E+01 5.4952E+00 H1 5303 1.008000 0.423800 5.5431E+00 1.2450E+01 6.3086E+00 H2 5304 1.008000 0.423800 4.0649E+00 1.2845E+01 5.7379E+00 O6 5305 15.999400 -0.847600 -8.5273E+00 1.8815E+01 -3.8215E+00 H1 5306 1.008000 0.423800 -9.1804E+00 1.9308E+01 -3.2471E+00 H2 5307 1.008000 0.423800 -7.7897E+00 1.8453E+01 -3.2517E+00 O6 5308 15.999400 -0.847600 -3.4351E+00 -1.3831E+01 -1.8599E+01 H1 5309 1.008000 0.423800 -3.0147E+00 -1.2953E+01 -1.8828E+01 H2 5310 1.008000 0.423800 -3.5764E+00 -1.4361E+01 -1.9435E+01 O6 5311 15.999400 -0.847600 -9.9839E+00 -1.5986E+01 -1.7143E+01 H1 5312 1.008000 0.423800 -1.0225E+01 -1.6912E+01 -1.7435E+01 H2 5313 1.008000 0.423800 -9.2929E+00 -1.5612E+01 -1.7761E+01 O6 5314 15.999400 -0.847600 2.8361E+00 -9.4614E+00 -1.6957E+01 H1 5315 1.008000 0.423800 2.0762E+00 -1.0090E+01 -1.7123E+01 H2 5316 1.008000 0.423800 3.6981E+00 -9.9680E+00 -1.6978E+01 O6 5317 15.999400 -0.847600 -1.2759E+01 8.1417E+00 -6.5523E+00 H1 5318 1.008000 0.423800 -1.3324E+01 8.9521E+00 -6.3974E+00 H2 5319 1.008000 0.423800 -1.2753E+01 7.5770E+00 -5.7271E+00 O6 5320 15.999400 -0.847600 -1.4221E+01 -1.7909E+01 -1.1271E+01 H1 5321 1.008000 0.423800 -1.5156E+01 -1.7786E+01 -1.0939E+01 H2 5322 1.008000 0.423800 -1.4053E+01 -1.8880E+01 -1.1443E+01 O6 5323 15.999400 -0.847600 -1.4693E+00 5.9009E+00 -2.3698E-01 H1 5324 1.008000 0.423800 -1.5880E+00 6.1504E+00 -1.1981E+00 H2 5325 1.008000 0.423800 -7.1355E-01 6.4269E+00 1.5304E-01 O6 5326 15.999400 -0.847600 -1.1642E+01 -4.8016E+00 -9.1698E+00 H1 5327 1.008000 0.423800 -1.1939E+01 -4.3373E+00 -1.0004E+01 H2 5328 1.008000 0.423800 -1.0650E+01 -4.7158E+00 -9.0758E+00 O6 5329 15.999400 -0.847600 5.0430E+00 -1.1735E+01 5.7028E+00 H1 5330 1.008000 0.423800 5.0118E+00 -1.2730E+01 5.6064E+00 H2 5331 1.008000 0.423800 4.1761E+00 -1.1343E+01 5.3950E+00 O6 5332 15.999400 -0.847600 -5.8230E+00 7.0674E+00 4.4027E+00 H1 5333 1.008000 0.423800 -6.7314E+00 6.6499E+00 4.4291E+00 H2 5334 1.008000 0.423800 -5.1260E+00 6.3512E+00 4.4369E+00 O6 5335 15.999400 -0.847600 -1.8408E+01 -1.3519E+00 6.1892E+00 H1 5336 1.008000 0.423800 -1.9250E+01 -8.2040E-01 6.0941E+00 H2 5337 1.008000 0.423800 -1.7771E+01 -1.0989E+00 5.4618E+00 O6 5338 15.999400 -0.847600 -1.5448E+01 4.7687E+00 -1.0683E+00 H1 5339 1.008000 0.423800 -1.5499E+01 5.7606E+00 -9.5204E-01 H2 5340 1.008000 0.423800 -1.5810E+01 4.3182E+00 -2.5254E-01 O6 5341 15.999400 -0.847600 -1.2946E+01 -1.3620E+01 -1.1730E+01 H1 5342 1.008000 0.423800 -1.2824E+01 -1.2810E+01 -1.1156E+01 H2 5343 1.008000 0.423800 -1.2409E+01 -1.4377E+01 -1.1357E+01 O6 5344 15.999400 -0.847600 -1.9141E+01 -4.9479E+00 -9.4246E+00 H1 5345 1.008000 0.423800 -1.8681E+01 -5.0209E+00 -8.5396E+00 H2 5346 1.008000 0.423800 -1.9308E+01 -5.8637E+00 -9.7895E+00 O6 5347 15.999400 -0.847600 1.1705E+01 7.0079E+00 1.7837E+01 H1 5348 1.008000 0.423800 1.1719E+01 7.0401E+00 1.8836E+01 H2 5349 1.008000 0.423800 1.1924E+01 6.0815E+00 1.7530E+01 O6 5350 15.999400 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-1.6422E+01 -1.2802E-01 H2 5367 1.008000 0.423800 -1.1164E+01 -1.6183E+01 1.3551E-01 O6 5368 15.999400 -0.847600 5.9453E+00 1.3973E+01 5.5800E-01 H1 5369 1.008000 0.423800 5.6174E+00 1.4226E+01 -3.5229E-01 H2 5370 1.008000 0.423800 6.7784E+00 1.4486E+01 7.6635E-01 O6 5371 15.999400 -0.847600 -1.7703E+01 -3.1955E+00 -3.9290E+00 H1 5372 1.008000 0.423800 -1.6899E+01 -3.3322E+00 -4.5082E+00 H2 5373 1.008000 0.423800 -1.8483E+01 -2.9371E+00 -4.4980E+00 O6 5374 15.999400 -0.847600 1.4650E+01 -3.5577E+00 -1.5128E+01 H1 5375 1.008000 0.423800 1.3735E+01 -3.7523E+00 -1.5482E+01 H2 5376 1.008000 0.423800 1.5335E+01 -3.8879E+00 -1.5776E+01 O6 5377 15.999400 -0.847600 1.7691E+00 1.3618E+01 1.6497E+01 H1 5378 1.008000 0.423800 1.7429E+00 1.4414E+01 1.5893E+01 H2 5379 1.008000 0.423800 1.5928E+00 1.3908E+01 1.7438E+01 O6 5380 15.999400 -0.847600 8.8968E+00 1.2142E+01 1.1130E+01 H1 5381 1.008000 0.423800 8.9192E+00 1.1535E+01 1.0336E+01 H2 5382 1.008000 0.423800 8.8818E+00 1.3093E+01 1.0822E+01 O6 5383 15.999400 -0.847600 1.1789E+01 1.3878E+01 -1.3627E+01 H1 5384 1.008000 0.423800 1.1103E+01 1.3460E+01 -1.3032E+01 H2 5385 1.008000 0.423800 1.2691E+01 1.3503E+01 -1.3410E+01 O6 5386 15.999400 -0.847600 1.9489E+01 -5.9467E+00 1.1759E+01 H1 5387 1.008000 0.423800 1.9394E+01 -6.6802E+00 1.2432E+01 H2 5388 1.008000 0.423800 -1.9379E+01 -6.3393E+00 1.0868E+01 O6 5389 15.999400 -0.847600 -1.0847E+01 1.4491E+01 1.6489E+01 H1 5390 1.008000 0.423800 -1.1349E+01 1.3821E+01 1.7037E+01 H2 5391 1.008000 0.423800 -1.0630E+01 1.5288E+01 1.7053E+01 O6 5392 15.999400 -0.847600 -1.5981E+01 -3.7992E+00 -8.7359E+00 H1 5393 1.008000 0.423800 -1.6520E+01 -3.0429E+00 -8.3650E+00 H2 5394 1.008000 0.423800 -1.5164E+01 -3.9322E+00 -8.1753E+00 O6 5395 15.999400 -0.847600 -3.5177E+00 5.5932E+00 4.4150E+00 H1 5396 1.008000 0.423800 -3.2169E+00 6.1103E+00 3.6136E+00 H2 5397 1.008000 0.423800 -2.8944E+00 4.8268E+00 4.5703E+00 O6 5398 15.999400 -0.847600 9.3217E+00 1.8741E+01 1.3515E+01 H1 5399 1.008000 0.423800 8.9540E+00 1.8106E+01 1.4194E+01 H2 5400 1.008000 0.423800 1.0233E+01 1.9040E+01 1.3798E+01 O6 5401 15.999400 -0.847600 1.1275E+01 5.8508E+00 -5.8431E+00 H1 5402 1.008000 0.423800 1.1496E+01 6.8121E+00 -5.6779E+00 H2 5403 1.008000 0.423800 1.1301E+01 5.6669E+00 -6.8256E+00 O6 5404 15.999400 -0.847600 2.9384E+00 1.1019E+01 1.5294E+01 H1 5405 1.008000 0.423800 2.5978E+00 1.1946E+01 1.5134E+01 H2 5406 1.008000 0.423800 2.6464E+00 1.0709E+01 1.6198E+01 O6 5407 15.999400 -0.847600 3.5377E+00 -8.6657E+00 1.2714E+01 H1 5408 1.008000 0.423800 3.6576E+00 -8.0451E+00 1.3489E+01 H2 5409 1.008000 0.423800 2.6294E+00 -9.0818E+00 1.2758E+01 O6 5410 15.999400 -0.847600 1.8952E+01 9.5175E-01 -1.3171E+01 H1 5411 1.008000 0.423800 -1.9439E+01 1.1179E+00 -1.2483E+01 H2 5412 1.008000 0.423800 1.8458E+01 1.1191E-01 -1.2945E+01 O6 5413 15.999400 -0.847600 5.1641E+00 -1.7384E+01 6.7486E+00 H1 5414 1.008000 0.423800 5.8289E+00 -1.7843E+01 7.3382E+00 H2 5415 1.008000 0.423800 4.9594E+00 -1.6478E+01 7.1190E+00 O6 5416 15.999400 -0.847600 -9.3535E+00 7.8902E+00 1.1059E+00 H1 5417 1.008000 0.423800 -9.2873E+00 8.6381E+00 4.4532E-01 H2 5418 1.008000 0.423800 -1.0270E+01 7.4915E+00 1.0672E+00 O6 5419 15.999400 -0.847600 1.4712E+01 1.0511E+01 -1.5572E+01 H1 5420 1.008000 0.423800 1.5067E+01 9.5978E+00 -1.5369E+01 H2 5421 1.008000 0.423800 1.4544E+01 1.1000E+01 -1.4716E+01 O6 5422 15.999400 -0.847600 1.4904E+01 8.4381E+00 -6.9707E+00 H1 5423 1.008000 0.423800 1.4992E+01 9.1797E+00 -6.3056E+00 H2 5424 1.008000 0.423800 1.5299E+01 7.6014E+00 -6.5913E+00 O6 5425 15.999400 -0.847600 -1.1089E-01 -1.7458E+01 7.8300E+00 H1 5426 1.008000 0.423800 -7.5885E-01 -1.7084E+01 7.1663E+00 H2 5427 1.008000 0.423800 7.4735E-01 -1.7682E+01 7.3682E+00 O6 5428 15.999400 -0.847600 1.2840E+01 -1.4156E+01 -5.3657E+00 H1 5429 1.008000 0.423800 1.2619E+01 -1.3222E+01 -5.0842E+00 H2 5430 1.008000 0.423800 1.2024E+01 -1.4729E+01 -5.2886E+00 O6 5431 15.999400 -0.847600 -1.3967E+01 -1.1659E+01 9.7735E+00 H1 5432 1.008000 0.423800 -1.3054E+01 -1.1395E+01 1.0086E+01 H2 5433 1.008000 0.423800 -1.4214E+01 -1.1117E+01 8.9701E+00 O6 5434 15.999400 -0.847600 -1.7075E+01 1.3547E+01 1.2168E+01 H1 5435 1.008000 0.423800 -1.6150E+01 1.3817E+01 1.2437E+01 H2 5436 1.008000 0.423800 -1.7596E+01 1.4359E+01 1.1905E+01 O6 5437 15.999400 -0.847600 -1.2643E+00 -4.2712E+00 -1.4668E+01 H1 5438 1.008000 0.423800 -5.3594E-01 -4.5034E+00 -1.5313E+01 H2 5439 1.008000 0.423800 -1.1168E+00 -3.3463E+00 -1.4318E+01 O6 5440 15.999400 -0.847600 -1.8205E+01 1.0251E+01 8.8124E+00 H1 5441 1.008000 0.423800 -1.9167E+01 1.0201E+01 8.5428E+00 H2 5442 1.008000 0.423800 -1.7872E+01 9.3330E+00 9.0286E+00 O6 5443 15.999400 -0.847600 -6.5489E+00 7.4607E+00 -9.9188E+00 H1 5444 1.008000 0.423800 -6.1236E+00 6.6470E+00 -9.5226E+00 H2 5445 1.008000 0.423800 -6.9525E+00 7.2284E+00 -1.0804E+01 O6 5446 15.999400 -0.847600 4.4010E+00 -6.6295E+00 -7.0133E+00 H1 5447 1.008000 0.423800 4.4748E+00 -7.5940E+00 -7.2666E+00 H2 5448 1.008000 0.423800 5.1301E+00 -6.3972E+00 -6.3695E+00 O6 5449 15.999400 -0.847600 6.8099E+00 -4.1526E+00 1.6840E+01 H1 5450 1.008000 0.423800 6.3258E+00 -5.0274E+00 1.6822E+01 H2 5451 1.008000 0.423800 7.7885E+00 -4.3158E+00 1.6965E+01 O6 5452 15.999400 -0.847600 1.6631E+01 1.1824E+01 1.0052E+01 H1 5453 1.008000 0.423800 1.5857E+01 1.1997E+01 1.0661E+01 H2 5454 1.008000 0.423800 1.7313E+01 1.2547E+01 1.0165E+01 O6 5455 15.999400 -0.847600 5.2701E+00 1.2133E+01 2.5132E+00 H1 5456 1.008000 0.423800 5.5093E+00 1.2915E+01 1.9374E+00 H2 5457 1.008000 0.423800 5.7966E+00 1.2171E+01 3.3625E+00 O6 5458 15.999400 -0.847600 -5.9684E+00 -1.6824E+01 -1.8613E+01 H1 5459 1.008000 0.423800 -6.4960E+00 -1.6128E+01 -1.8126E+01 H2 5460 1.008000 0.423800 -5.0402E+00 -1.6858E+01 -1.8242E+01 O6 5461 15.999400 -0.847600 -4.8905E+00 -1.2447E+01 -1.2395E+01 H1 5462 1.008000 0.423800 -4.7988E+00 -1.2186E+01 -1.3356E+01 H2 5463 1.008000 0.423800 -4.4455E+00 -1.1762E+01 -1.1819E+01 O6 5464 15.999400 -0.847600 -3.9600E+00 -1.3523E+01 -1.9761E+00 H1 5465 1.008000 0.423800 -3.2797E+00 -1.4152E+01 -2.3517E+00 H2 5466 1.008000 0.423800 -4.7148E+00 -1.4046E+01 -1.5800E+00 O6 5467 15.999400 -0.847600 -3.3012E+00 -9.5578E+00 1.0657E+01 H1 5468 1.008000 0.423800 -3.0332E+00 -1.0506E+01 1.0485E+01 H2 5469 1.008000 0.423800 -3.8773E+00 -9.5171E+00 1.1473E+01 O6 5470 15.999400 -0.847600 1.4101E+01 3.8020E+00 5.4852E+00 H1 5471 1.008000 0.423800 1.4612E+01 3.1293E+00 4.9503E+00 H2 5472 1.008000 0.423800 1.3951E+01 4.6225E+00 4.9335E+00 O6 5473 15.999400 -0.847600 -4.3558E+00 -1.8829E+01 5.5047E+00 H1 5474 1.008000 0.423800 -4.2073E+00 -1.8490E+01 6.4335E+00 H2 5475 1.008000 0.423800 -3.6114E+00 -1.8519E+01 4.9135E+00 O6 5476 15.999400 -0.847600 -1.6788E+01 2.9090E+00 1.6755E+01 H1 5477 1.008000 0.423800 -1.7569E+01 2.8874E+00 1.7378E+01 H2 5478 1.008000 0.423800 -1.7113E+01 2.8517E+00 1.5811E+01 O6 5479 15.999400 -0.847600 -7.0601E+00 -1.3198E+00 -1.5434E+01 H1 5480 1.008000 0.423800 -7.8576E+00 -1.6901E+00 -1.4958E+01 H2 5481 1.008000 0.423800 -6.4517E+00 -2.0685E+00 -1.5697E+01 O6 5482 15.999400 -0.847600 6.0452E+00 1.7195E+01 -4.0021E+00 H1 5483 1.008000 0.423800 6.8054E+00 1.7822E+01 -4.1728E+00 H2 5484 1.008000 0.423800 5.3030E+00 1.7687E+01 -3.5474E+00 O6 5485 15.999400 -0.847600 1.6408E+01 -7.6635E-01 -5.8784E+00 H1 5486 1.008000 0.423800 1.6697E+01 -1.5449E+00 -6.4354E+00 H2 5487 1.008000 0.423800 1.5824E+01 -1.0885E+00 -5.1332E+00 O6 5488 15.999400 -0.847600 7.0198E+00 1.4826E+01 -1.8186E+01 H1 5489 1.008000 0.423800 6.4282E+00 1.4256E+01 -1.8756E+01 H2 5490 1.008000 0.423800 6.4658E+00 1.5303E+01 -1.7503E+01 O6 5491 15.999400 -0.847600 3.1157E+00 -3.3323E+00 -4.9605E-01 H1 5492 1.008000 0.423800 3.9213E+00 -2.7598E+00 -3.4342E-01 H2 5493 1.008000 0.423800 2.3457E+00 -2.9711E+00 2.9960E-02 O6 5494 15.999400 -0.847600 -4.8289E+00 -1.0778E+01 -1.8173E+01 H1 5495 1.008000 0.423800 -3.8926E+00 -1.0886E+01 -1.7839E+01 H2 5496 1.008000 0.423800 -4.8910E+00 -9.9494E+00 -1.8729E+01 O6 5497 15.999400 -0.847600 -7.8042E+00 -7.2993E+00 -1.0785E+01 H1 5498 1.008000 0.423800 -8.6075E+00 -7.4419E+00 -1.0206E+01 H2 5499 1.008000 0.423800 -8.0182E+00 -7.5667E+00 -1.1724E+01 O6 5500 15.999400 -0.847600 1.2076E+01 1.4980E+01 1.6484E+01 H1 5501 1.008000 0.423800 1.2015E+01 1.4006E+01 1.6699E+01 H2 5502 1.008000 0.423800 1.1389E+01 1.5482E+01 1.7010E+01 O6 5503 15.999400 -0.847600 -1.0096E+01 1.5144E+01 1.1951E+01 H1 5504 1.008000 0.423800 -9.1503E+00 1.5121E+01 1.2274E+01 H2 5505 1.008000 0.423800 -1.0598E+01 1.5859E+01 1.2437E+01 O6 5506 15.999400 -0.847600 1.1025E+01 -1.3415E+01 7.2619E+00 H1 5507 1.008000 0.423800 1.1707E+01 -1.2861E+01 6.7839E+00 H2 5508 1.008000 0.423800 1.0919E+01 -1.4292E+01 6.7934E+00 O6 5509 15.999400 -0.847600 1.6708E+01 -1.4296E+01 5.8141E+00 H1 5510 1.008000 0.423800 1.7019E+01 -1.3347E+01 5.7769E+00 H2 5511 1.008000 0.423800 1.6242E+01 -1.4460E+01 6.6835E+00 O6 5512 15.999400 -0.847600 -6.9299E+00 -1.7326E+01 1.6577E+01 H1 5513 1.008000 0.423800 -7.0270E+00 -1.6381E+01 1.6889E+01 H2 5514 1.008000 0.423800 -7.1717E+00 -1.7383E+01 1.5608E+01 O6 5515 15.999400 -0.847600 1.6170E+01 -5.0600E+00 -8.3618E+00 H1 5516 1.008000 0.423800 1.5849E+01 -5.8217E+00 -8.9247E+00 H2 5517 1.008000 0.423800 1.5399E+01 -4.6698E+00 -7.8582E+00 O6 5518 15.999400 -0.847600 -4.2784E+00 -1.1478E+01 -1.5038E+01 H1 5519 1.008000 0.423800 -3.4423E+00 -1.1426E+01 -1.5584E+01 H2 5520 1.008000 0.423800 -4.6531E+00 -1.0559E+01 -1.4915E+01 O6 5521 15.999400 -0.847600 8.9165E+00 3.7779E+00 1.3766E+01 H1 5522 1.008000 0.423800 9.5739E+00 3.9002E+00 1.3022E+01 H2 5523 1.008000 0.423800 8.1537E+00 3.2152E+00 1.3447E+01 O6 5524 15.999400 -0.847600 -3.6743E+00 -1.6890E+01 -1.6763E+01 H1 5525 1.008000 0.423800 -3.7735E+00 -1.5935E+01 -1.6481E+01 H2 5526 1.008000 0.423800 -2.8079E+00 -1.7251E+01 -1.6418E+01 O6 5527 15.999400 -0.847600 -3.0043E+00 1.4895E+01 -1.8721E+01 H1 5528 1.008000 0.423800 -2.6219E+00 1.4825E+01 -1.7799E+01 H2 5529 1.008000 0.423800 -3.6929E+00 1.5620E+01 -1.8741E+01 O6 5530 15.999400 -0.847600 -1.4970E+01 -3.9548E+00 -1.4659E+01 H1 5531 1.008000 0.423800 -1.4125E+01 -4.4268E+00 -1.4406E+01 H2 5532 1.008000 0.423800 -1.5359E+01 -4.3816E+00 -1.5475E+01 O6 5533 15.999400 -0.847600 6.2002E+00 -5.2889E+00 1.2914E+00 H1 5534 1.008000 0.423800 5.4885E+00 -4.6287E+00 1.5314E+00 H2 5535 1.008000 0.423800 6.1029E+00 -6.1054E+00 1.8604E+00 O6 5536 15.999400 -0.847600 -9.5066E+00 1.3403E+01 -6.8873E+00 H1 5537 1.008000 0.423800 -8.9020E+00 1.3772E+01 -7.5932E+00 H2 5538 1.008000 0.423800 -8.9576E+00 1.3048E+01 -6.1306E+00 O6 5539 15.999400 -0.847600 3.1135E+00 2.7157E+00 -4.0327E+00 H1 5540 1.008000 0.423800 2.8508E+00 3.4348E+00 -4.6760E+00 H2 5541 1.008000 0.423800 2.2914E+00 2.2815E+00 -3.6644E+00 O6 5542 15.999400 -0.847600 1.5394E+01 -3.7642E+00 1.2625E+01 H1 5543 1.008000 0.423800 1.6269E+01 -3.8497E+00 1.2147E+01 H2 5544 1.008000 0.423800 1.5065E+01 -2.8230E+00 1.2551E+01 O6 5545 15.999400 -0.847600 -8.5049E+00 6.0290E+00 1.0630E+01 H1 5546 1.008000 0.423800 -9.1720E+00 5.4446E+00 1.1093E+01 H2 5547 1.008000 0.423800 -7.8246E+00 5.4587E+00 1.0170E+01 O6 5548 15.999400 -0.847600 1.1162E+01 -1.1295E+01 1.7715E+01 H1 5549 1.008000 0.423800 1.1314E+01 -1.1878E+01 1.8513E+01 H2 5550 1.008000 0.423800 1.0734E+01 -1.1831E+01 1.6987E+01 O6 5551 15.999400 -0.847600 9.3089E+00 1.7443E+01 1.1071E+01 H1 5552 1.008000 0.423800 9.3931E+00 1.7826E+01 1.1991E+01 H2 5553 1.008000 0.423800 1.0139E+01 1.7642E+01 1.0550E+01 O6 5554 15.999400 -0.847600 -2.7561E+00 8.4632E+00 6.4644E+00 H1 5555 1.008000 0.423800 -3.5009E+00 8.8918E+00 6.9756E+00 H2 5556 1.008000 0.423800 -3.1367E+00 7.8548E+00 5.7680E+00 O6 5557 15.999400 -0.847600 -1.0174E+01 1.2272E+01 -1.0533E+01 H1 5558 1.008000 0.423800 -1.0831E+01 1.2313E+01 -9.7799E+00 H2 5559 1.008000 0.423800 -9.9011E+00 1.1322E+01 -1.0686E+01 O6 5560 15.999400 -0.847600 -1.5075E+00 1.4817E+01 -1.3353E+01 H1 5561 1.008000 0.423800 -1.3489E+00 1.3865E+01 -1.3615E+01 H2 5562 1.008000 0.423800 -1.0376E+00 1.5008E+01 -1.2491E+01 O6 5563 15.999400 -0.847600 -7.6375E+00 1.5205E+01 -2.5269E-01 H1 5564 1.008000 0.423800 -6.9257E+00 1.5325E+01 -9.4483E-01 H2 5565 1.008000 0.423800 -8.3608E+00 1.5880E+01 -3.9814E-01 O6 5566 15.999400 -0.847600 4.8700E+00 -9.4694E+00 -1.9537E+01 H1 5567 1.008000 0.423800 5.3859E+00 -8.8838E+00 -1.8911E+01 H2 5568 1.008000 0.423800 5.0345E+00 -1.0429E+01 -1.9307E+01 O6 5569 15.999400 -0.847600 1.2628E+01 1.0386E-01 7.0774E+00 H1 5570 1.008000 0.423800 1.3541E+01 -2.6537E-01 6.9059E+00 H2 5571 1.008000 0.423800 1.2664E+01 7.3685E-01 7.8507E+00 O6 5572 15.999400 -0.847600 1.0906E+00 -1.1147E+01 -4.3751E+00 H1 5573 1.008000 0.423800 1.6116E+00 -1.0600E+01 -3.7198E+00 H2 5574 1.008000 0.423800 1.6969E+00 -1.1813E+01 -4.8100E+00 O6 5575 15.999400 -0.847600 1.9222E+01 -1.7333E+01 -1.3637E+01 H1 5576 1.008000 0.423800 1.8689E+01 -1.7049E+01 -1.4434E+01 H2 5577 1.008000 0.423800 -1.8941E+01 -1.7549E+01 -1.3920E+01 O6 5578 15.999400 -0.847600 -1.2334E+00 1.7982E+01 -3.6672E+00 H1 5579 1.008000 0.423800 -1.8957E+00 1.7589E+01 -4.3053E+00 H2 5580 1.008000 0.423800 -1.3060E+00 1.8979E+01 -3.6833E+00 O6 5581 15.999400 -0.847600 1.2936E+01 -8.7683E+00 1.4686E+00 H1 5582 1.008000 0.423800 1.3233E+01 -9.1045E+00 2.3622E+00 H2 5583 1.008000 0.423800 1.2787E+01 -7.7807E+00 1.5168E+00 O6 5584 15.999400 -0.847600 -1.1083E+01 -5.5992E+00 1.0688E+00 H1 5585 1.008000 0.423800 -1.1938E+01 -5.1764E+00 7.6768E-01 H2 5586 1.008000 0.423800 -1.0696E+01 -6.1371E+00 3.2017E-01 O6 5587 15.999400 -0.847600 -1.3306E+00 3.9970E+00 -6.6672E+00 H1 5588 1.008000 0.423800 -2.0929E+00 4.4407E+00 -6.1958E+00 H2 5589 1.008000 0.423800 -6.7418E-01 3.6579E+00 -5.9933E+00 O6 5590 15.999400 -0.847600 1.4984E+00 -1.0106E+01 -1.4253E+01 H1 5591 1.008000 0.423800 2.1005E+00 -1.0591E+01 -1.3619E+01 H2 5592 1.008000 0.423800 2.0382E+00 -9.7401E+00 -1.5011E+01 O6 5593 15.999400 -0.847600 -5.3495E+00 1.2673E+01 1.3919E+00 H1 5594 1.008000 0.423800 -5.5031E+00 1.3148E+01 2.2583E+00 H2 5595 1.008000 0.423800 -5.7344E+00 1.3212E+01 6.4306E-01 O6 5596 15.999400 -0.847600 -1.4663E+01 -1.7190E+01 2.8575E+00 H1 5597 1.008000 0.423800 -1.4953E+01 -1.7408E+01 3.7894E+00 H2 5598 1.008000 0.423800 -1.4061E+01 -1.7914E+01 2.5192E+00 O6 5599 15.999400 -0.847600 1.4884E+01 -6.0875E+00 1.3608E+01 H1 5600 1.008000 0.423800 1.4657E+01 -5.8065E+00 1.4540E+01 H2 5601 1.008000 0.423800 1.5029E+01 -5.2763E+00 1.3041E+01 O6 5602 15.999400 -0.847600 6.1097E+00 1.0706E+01 9.9806E+00 H1 5603 1.008000 0.423800 5.5042E+00 9.9331E+00 9.7893E+00 H2 5604 1.008000 0.423800 7.0561E+00 1.0441E+01 9.7956E+00 O6 5605 15.999400 -0.847600 1.3998E+00 -2.8236E+00 -1.6915E+01 H1 5606 1.008000 0.423800 6.0287E-01 -2.2490E+00 -1.7102E+01 H2 5607 1.008000 0.423800 1.4754E+00 -3.5279E+00 -1.7621E+01 O6 5608 15.999400 -0.847600 -1.4614E+01 7.6890E-01 1.4337E+01 H1 5609 1.008000 0.423800 -1.3974E+01 4.1855E-02 1.4089E+01 H2 5610 1.008000 0.423800 -1.5491E+01 6.0925E-01 1.3885E+01 O6 5611 15.999400 -0.847600 -4.4069E+00 4.6384E+00 1.1958E+01 H1 5612 1.008000 0.423800 -4.0172E+00 5.5576E+00 1.2015E+01 H2 5613 1.008000 0.423800 -4.1974E+00 4.2426E+00 1.1064E+01 O6 5614 15.999400 -0.847600 1.9462E+01 -3.0119E+00 -5.6561E+00 H1 5615 1.008000 0.423800 1.8914E+01 -2.6289E+00 -6.3998E+00 H2 5616 1.008000 0.423800 1.9320E+01 -4.0008E+00 -5.6127E+00 O6 5617 15.999400 -0.847600 -1.2303E+01 -7.4457E+00 -1.4549E+01 H1 5618 1.008000 0.423800 -1.1549E+01 -7.8394E+00 -1.5074E+01 H2 5619 1.008000 0.423800 -1.2062E+01 -6.5182E+00 -1.4263E+01 O6 5620 15.999400 -0.847600 1.0704E+01 2.3001E+00 -6.9338E+00 H1 5621 1.008000 0.423800 9.9989E+00 2.6815E+00 -6.3363E+00 H2 5622 1.008000 0.423800 1.1422E+01 1.8821E+00 -6.3771E+00 O6 5623 15.999400 -0.847600 1.7554E+00 1.4157E+01 -6.9452E+00 H1 5624 1.008000 0.423800 2.5198E+00 1.3659E+01 -6.5361E+00 H2 5625 1.008000 0.423800 1.6546E+00 1.5043E+01 -6.4923E+00 O6 5626 15.999400 -0.847600 1.2925E+01 1.7509E+01 -7.2584E+00 H1 5627 1.008000 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1.0451E+01 1.3828E+01 O6 5644 15.999400 -0.847600 1.2016E+01 6.8120E+00 1.3976E+01 H1 5645 1.008000 0.423800 1.2418E+01 5.9359E+00 1.3710E+01 H2 5646 1.008000 0.423800 1.2680E+01 7.3333E+00 1.4513E+01 O6 5647 15.999400 -0.847600 8.7308E+00 1.7141E+01 1.5522E+01 H1 5648 1.008000 0.423800 8.0407E+00 1.6627E+01 1.5012E+01 H2 5649 1.008000 0.423800 9.2678E+00 1.6512E+01 1.6084E+01 O6 5650 15.999400 -0.847600 8.3791E-01 -1.8641E+00 1.1555E+01 H1 5651 1.008000 0.423800 3.3568E-01 -1.0703E+00 1.1898E+01 H2 5652 1.008000 0.423800 1.0183E+00 -2.4957E+00 1.2309E+01 O6 5653 15.999400 -0.847600 -1.3000E+01 9.8961E+00 -1.0390E+01 H1 5654 1.008000 0.423800 -1.3549E+01 1.0151E+01 -9.5935E+00 H2 5655 1.008000 0.423800 -1.2052E+01 9.7498E+00 -1.0108E+01 O6 5656 15.999400 -0.847600 -1.1923E+01 -1.3396E+01 1.2882E+01 H1 5657 1.008000 0.423800 -1.2761E+01 -1.3431E+01 1.3428E+01 H2 5658 1.008000 0.423800 -1.1177E+01 -1.3030E+01 1.3439E+01 O6 5659 15.999400 -0.847600 -1.6794E+01 1.7690E+01 1.4255E+01 H1 5660 1.008000 0.423800 -1.7137E+01 1.7027E+01 1.4920E+01 H2 5661 1.008000 0.423800 -1.6597E+01 1.8555E+01 1.4718E+01 O6 5662 15.999400 -0.847600 8.6330E+00 -7.6199E+00 8.0419E+00 H1 5663 1.008000 0.423800 8.6851E+00 -7.5891E+00 7.0437E+00 H2 5664 1.008000 0.423800 9.4190E+00 -8.1230E+00 8.4012E+00 O6 5665 15.999400 -0.847600 7.3966E+00 -1.4940E+00 1.0640E+01 H1 5666 1.008000 0.423800 8.1417E+00 -1.0603E+00 1.0134E+01 H2 5667 1.008000 0.423800 7.1826E+00 -9.4839E-01 1.1451E+01 O6 5668 15.999400 -0.847600 1.3215E+01 3.0295E+00 -1.4845E+01 H1 5669 1.008000 0.423800 1.2775E+01 3.6395E+00 -1.4186E+01 H2 5670 1.008000 0.423800 1.3724E+01 2.3213E+00 -1.4355E+01 O6 5671 15.999400 -0.847600 -5.2326E+00 7.6350E+00 -1.7379E+01 H1 5672 1.008000 0.423800 -4.6590E+00 8.0562E+00 -1.6677E+01 H2 5673 1.008000 0.423800 -5.9941E+00 8.2453E+00 -1.7598E+01 O6 5674 15.999400 -0.847600 1.4012E+01 1.4797E+01 8.9768E+00 H1 5675 1.008000 0.423800 1.3216E+01 1.4282E+01 9.2950E+00 H2 5676 1.008000 0.423800 1.4598E+01 1.5021E+01 9.7561E+00 O6 5677 15.999400 -0.847600 1.8208E+01 -9.0414E+00 1.0373E+01 H1 5678 1.008000 0.423800 1.9066E+01 -9.5553E+00 1.0399E+01 H2 5679 1.008000 0.423800 1.7943E+01 -8.7875E+00 1.1303E+01 O6 5680 15.999400 -0.847600 -3.7984E+00 -1.5689E+01 8.0822E-02 H1 5681 1.008000 0.423800 -2.9977E+00 -1.5781E+01 -5.1108E-01 H2 5682 1.008000 0.423800 -3.6443E+00 -1.4951E+01 7.3773E-01 O6 5683 15.999400 -0.847600 5.8358E+00 -1.8232E+01 1.1107E+01 H1 5684 1.008000 0.423800 5.8351E+00 -1.9218E+01 1.1276E+01 H2 5685 1.008000 0.423800 6.5025E+00 -1.7791E+01 1.1708E+01 O6 5686 15.999400 -0.847600 1.0958E+00 -1.1372E+01 -1.7789E+01 H1 5687 1.008000 0.423800 1.5440E-01 -1.1307E+01 -1.8120E+01 H2 5688 1.008000 0.423800 1.1536E+00 -1.2081E+01 -1.7085E+01 O6 5689 15.999400 -0.847600 -5.8618E+00 9.7999E+00 3.3279E+00 H1 5690 1.008000 0.423800 -5.9131E+00 8.9080E+00 3.7773E+00 H2 5691 1.008000 0.423800 -4.9033E+00 1.0046E+01 3.1852E+00 O6 5692 15.999400 -0.847600 1.3621E+01 -1.6810E+01 -4.1015E+00 H1 5693 1.008000 0.423800 1.4178E+01 -1.7278E+01 -4.7874E+00 H2 5694 1.008000 0.423800 1.3643E+01 -1.5824E+01 -4.2706E+00 O6 5695 15.999400 -0.847600 6.3466E-01 1.5215E+01 -1.8242E+00 H1 5696 1.008000 0.423800 1.5228E-01 1.5924E+01 -1.3099E+00 H2 5697 1.008000 0.423800 4.8983E-01 1.5357E+01 -2.8034E+00 O6 5698 15.999400 -0.847600 1.8789E+01 5.9038E+00 -1.7402E+01 H1 5699 1.008000 0.423800 1.8181E+01 5.1261E+00 -1.7563E+01 H2 5700 1.008000 0.423800 1.8746E+01 6.1656E+00 -1.6438E+01 O6 5701 15.999400 -0.847600 -1.1175E+01 1.2145E+01 1.4483E+01 H1 5702 1.008000 0.423800 -1.1210E+01 1.3092E+01 1.4801E+01 H2 5703 1.008000 0.423800 -1.1120E+01 1.2130E+01 1.3484E+01 O6 5704 15.999400 -0.847600 -1.0155E+01 9.6125E+00 -1.1120E+01 H1 5705 1.008000 0.423800 -1.0487E+01 9.3732E+00 -1.2032E+01 H2 5706 1.008000 0.423800 -9.4018E+00 9.0038E+00 -1.0869E+01 O6 5707 15.999400 -0.847600 -1.1323E+01 -3.6475E+00 9.0561E+00 H1 5708 1.008000 0.423800 -1.0729E+01 -4.4292E+00 8.8639E+00 H2 5709 1.008000 0.423800 -1.2237E+01 -3.8258E+00 8.6925E+00 O6 5710 15.999400 -0.847600 1.2424E+01 1.4195E+00 -4.7680E+00 H1 5711 1.008000 0.423800 1.2206E+01 2.3611E+00 -4.5108E+00 H2 5712 1.008000 0.423800 1.3412E+01 1.2780E+00 -4.7103E+00 O6 5713 15.999400 -0.847600 1.1538E+01 7.2987E+00 -1.1413E+01 H1 5714 1.008000 0.423800 1.1762E+01 7.8936E+00 -1.0641E+01 H2 5715 1.008000 0.423800 1.0618E+01 7.5118E+00 -1.1742E+01 O6 5716 15.999400 -0.847600 7.7240E+00 -1.6020E+01 5.5074E+00 H1 5717 1.008000 0.423800 7.4985E+00 -1.6929E+01 5.8586E+00 H2 5718 1.008000 0.423800 8.7157E+00 -1.5938E+01 5.4089E+00 O6 5719 15.999400 -0.847600 8.5541E+00 8.1597E+00 -1.6013E+01 H1 5720 1.008000 0.423800 9.1955E+00 8.6531E+00 -1.5426E+01 H2 5721 1.008000 0.423800 7.7134E+00 7.9721E+00 -1.5505E+01 O6 5722 15.999400 -0.847600 1.7689E+01 1.3623E+01 3.6313E+00 H1 5723 1.008000 0.423800 1.6985E+01 1.3957E+01 3.0041E+00 H2 5724 1.008000 0.423800 1.8027E+01 1.4382E+01 4.1879E+00 O6 5725 15.999400 -0.847600 -9.8309E+00 -1.7614E+01 2.2576E+00 H1 5726 1.008000 0.423800 -9.1459E+00 -1.6898E+01 2.3938E+00 H2 5727 1.008000 0.423800 -1.0060E+01 -1.7676E+01 1.2861E+00 O6 5728 15.999400 -0.847600 -1.8573E+01 -1.3541E+01 -1.7635E+01 H1 5729 1.008000 0.423800 -1.9358E+01 -1.3167E+01 -1.8129E+01 H2 5730 1.008000 0.423800 -1.8764E+01 -1.4487E+01 -1.7372E+01 O6 5731 15.999400 -0.847600 -1.8983E+01 -6.1823E+00 2.0763E+00 H1 5732 1.008000 0.423800 1.9387E+01 -6.7916E+00 1.7601E+00 H2 5733 1.008000 0.423800 -1.8123E+01 -6.6894E+00 2.1290E+00 O6 5734 15.999400 -0.847600 4.1572E+00 -1.6056E+01 -1.3053E+01 H1 5735 1.008000 0.423800 4.6963E+00 -1.6897E+01 -1.3091E+01 H2 5736 1.008000 0.423800 3.7982E+00 -1.5932E+01 -1.2128E+01 O6 5737 15.999400 -0.847600 -1.7801E+01 1.2411E+00 -1.1681E+01 H1 5738 1.008000 0.423800 -1.7218E+01 1.1771E+00 -1.0871E+01 H2 5739 1.008000 0.423800 -1.7471E+01 6.0617E-01 -1.2379E+01 O6 5740 15.999400 -0.847600 6.4232E+00 6.8939E+00 -1.9999E+00 H1 5741 1.008000 0.423800 6.6153E+00 7.1479E+00 -1.0519E+00 H2 5742 1.008000 0.423800 5.5237E+00 6.4602E+00 -2.0529E+00 O6 5743 15.999400 -0.847600 -1.5297E+01 1.0317E+01 1.0287E+01 H1 5744 1.008000 0.423800 -1.5574E+01 1.0914E+01 9.5347E+00 H2 5745 1.008000 0.423800 -1.5988E+01 1.0349E+01 1.1010E+01 O6 5746 15.999400 -0.847600 6.2836E+00 2.1735E+00 -1.4390E+01 H1 5747 1.008000 0.423800 6.1889E+00 1.7718E+00 -1.5300E+01 H2 5748 1.008000 0.423800 6.3555E+00 1.4439E+00 -1.3709E+01 O6 5749 15.999400 -0.847600 -6.6493E-01 -1.1817E+01 -1.0592E+01 H1 5750 1.008000 0.423800 -1.3169E+00 -1.2405E+01 -1.0113E+01 H2 5751 1.008000 0.423800 -2.8138E-01 -1.2310E+01 -1.1372E+01 O6 5752 15.999400 -0.847600 -1.6932E+01 -1.1061E+01 -8.6249E+00 H1 5753 1.008000 0.423800 -1.5985E+01 -1.1137E+01 -8.3119E+00 H2 5754 1.008000 0.423800 -1.7544E+01 -1.1052E+01 -7.8347E+00 O6 5755 15.999400 -0.847600 -5.1144E+00 1.6999E+01 -1.6832E+01 H1 5756 1.008000 0.423800 -4.3495E+00 1.7638E+01 -1.6909E+01 H2 5757 1.008000 0.423800 -5.8387E+00 1.7410E+01 -1.6279E+01 O6 5758 15.999400 -0.847600 5.4822E+00 1.1174E+01 1.6596E+01 H1 5759 1.008000 0.423800 5.9381E+00 1.1076E+01 1.5711E+01 H2 5760 1.008000 0.423800 4.4918E+00 1.1121E+01 1.6468E+01 O6 5761 15.999400 -0.847600 5.6234E+00 1.3428E+01 -1.5371E+01 H1 5762 1.008000 0.423800 5.4452E+00 1.4124E+01 -1.6067E+01 H2 5763 1.008000 0.423800 6.5814E+00 1.3477E+01 -1.5089E+01 O6 5764 15.999400 -0.847600 -3.4089E+00 1.2954E+01 1.2627E+01 H1 5765 1.008000 0.423800 -3.3429E+00 1.2697E+01 1.1663E+01 H2 5766 1.008000 0.423800 -4.0342E+00 1.2330E+01 1.3096E+01 O6 5767 15.999400 -0.847600 -1.7557E+01 1.2398E+01 -4.2373E+00 H1 5768 1.008000 0.423800 -1.8156E+01 1.2126E+01 -3.4842E+00 H2 5769 1.008000 0.423800 -1.6641E+01 1.2025E+01 -4.0856E+00 O6 5770 15.999400 -0.847600 -1.7406E+01 -4.6674E+00 1.3390E+01 H1 5771 1.008000 0.423800 -1.7343E+01 -3.9028E+00 1.4032E+01 H2 5772 1.008000 0.423800 -1.8368E+01 -4.8809E+00 1.3220E+01 O6 5773 15.999400 -0.847600 -1.9170E+01 2.5171E+00 -1.5217E+01 H1 5774 1.008000 0.423800 -1.8461E+01 2.9351E+00 -1.4648E+01 H2 5775 1.008000 0.423800 1.9502E+01 1.7629E+00 -1.4717E+01 O6 5776 15.999400 -0.847600 -4.1197E+00 -7.2131E+00 -1.7355E+01 H1 5777 1.008000 0.423800 -4.9114E+00 -6.8867E+00 -1.6839E+01 H2 5778 1.008000 0.423800 -4.4252E+00 -7.5948E+00 -1.8227E+01 O6 5779 15.999400 -0.847600 1.5014E+01 7.5042E+00 -9.7131E+00 H1 5780 1.008000 0.423800 1.4391E+01 6.7231E+00 -9.6676E+00 H2 5781 1.008000 0.423800 1.5318E+01 7.7422E+00 -8.7907E+00 O6 5782 15.999400 -0.847600 1.4711E+01 -7.7732E-01 1.1767E+01 H1 5783 1.008000 0.423800 1.4476E+01 -1.3009E+00 1.0948E+01 H2 5784 1.008000 0.423800 1.3923E+01 -2.3087E-01 1.2050E+01 O6 5785 15.999400 -0.847600 1.0812E+01 1.3726E+01 -8.3467E+00 H1 5786 1.008000 0.423800 1.0230E+01 1.4221E+01 -8.9915E+00 H2 5787 1.008000 0.423800 1.1712E+01 1.4160E+01 -8.3087E+00 O6 5788 15.999400 -0.847600 1.7100E+01 1.5226E+01 6.2551E+00 H1 5789 1.008000 0.423800 1.7448E+01 1.5985E+01 6.8063E+00 H2 5790 1.008000 0.423800 1.7829E+01 1.4556E+01 6.1120E+00 O6 5791 15.999400 -0.847600 1.5613E+01 -1.4332E+01 1.0187E+01 H1 5792 1.008000 0.423800 1.6532E+01 -1.4520E+01 9.8394E+00 H2 5793 1.008000 0.423800 1.5676E+01 -1.3742E+01 1.0992E+01 O6 5794 15.999400 -0.847600 -1.6372E+01 -8.2806E+00 1.6285E+01 H1 5795 1.008000 0.423800 -1.5380E+01 -8.3184E+00 1.6401E+01 H2 5796 1.008000 0.423800 -1.6592E+01 -8.2111E+00 1.5312E+01 O6 5797 15.999400 -0.847600 -1.3106E+01 1.9475E+01 -1.4155E-01 H1 5798 1.008000 0.423800 -1.3864E+01 1.8830E+01 -2.4579E-01 H2 5799 1.008000 0.423800 -1.2928E+01 -1.9472E+01 8.3088E-01 O6 5800 15.999400 -0.847600 -1.7409E+01 -3.2364E-01 -1.3850E+01 H1 5801 1.008000 0.423800 -1.6884E+01 -1.0813E+00 -1.3463E+01 H2 5802 1.008000 0.423800 -1.8286E+01 -6.6452E-01 -1.4188E+01 O6 5803 15.999400 -0.847600 -1.6794E+01 -2.6766E+00 2.5013E+00 H1 5804 1.008000 0.423800 -1.6437E+01 -1.9936E+00 3.1390E+00 H2 5805 1.008000 0.423800 -1.7064E+01 -2.2282E+00 1.6494E+00 O6 5806 15.999400 -0.847600 -1.8512E+00 -1.3204E+01 6.2502E+00 H1 5807 1.008000 0.423800 -1.5572E+00 -1.2383E+01 5.7601E+00 H2 5808 1.008000 0.423800 -2.8503E+00 -1.3246E+01 6.2600E+00 O6 5809 15.999400 -0.847600 -5.0392E+00 1.3290E+00 -8.4149E+00 H1 5810 1.008000 0.423800 -4.7403E+00 4.0142E-01 -8.1907E+00 H2 5811 1.008000 0.423800 -4.3735E+00 1.7546E+00 -9.0279E+00 O6 5812 15.999400 -0.847600 -2.8848E+00 -1.1181E+01 -2.9103E+00 H1 5813 1.008000 0.423800 -3.1846E+00 -1.2072E+01 -2.5701E+00 H2 5814 1.008000 0.423800 -3.4627E+00 -1.0906E+01 -3.6788E+00 O6 5815 15.999400 -0.847600 5.6751E+00 1.2046E+01 -9.2477E+00 H1 5816 1.008000 0.423800 5.2642E+00 1.1457E+01 -9.9440E+00 H2 5817 1.008000 0.423800 5.9534E+00 1.1490E+01 -8.4640E+00 O6 5818 15.999400 -0.847600 3.7138E+00 3.4357E+00 1.3133E+01 H1 5819 1.008000 0.423800 3.7532E+00 4.3227E+00 1.2673E+01 H2 5820 1.008000 0.423800 2.7657E+00 3.2263E+00 1.3373E+01 O6 5821 15.999400 -0.847600 5.4251E+00 -1.7909E+01 -9.0422E+00 H1 5822 1.008000 0.423800 4.9620E+00 -1.8712E+01 -9.4183E+00 H2 5823 1.008000 0.423800 6.3345E+00 -1.8170E+01 -8.7185E+00 O6 5824 15.999400 -0.847600 -1.5772E+01 1.9112E+01 -1.7838E+01 H1 5825 1.008000 0.423800 -1.6064E+01 1.8419E+01 -1.7178E+01 H2 5826 1.008000 0.423800 -1.6571E+01 -1.9481E+01 -1.8165E+01 O6 5827 15.999400 -0.847600 1.2110E+01 7.1549E+00 -1.4779E+01 H1 5828 1.008000 0.423800 1.1896E+01 8.0985E+00 -1.4527E+01 H2 5829 1.008000 0.423800 1.1845E+01 6.5424E+00 -1.4035E+01 O6 5830 15.999400 -0.847600 4.0330E+00 -9.6570E+00 -3.2478E+00 H1 5831 1.008000 0.423800 3.4742E+00 -9.0530E+00 -3.8162E+00 H2 5832 1.008000 0.423800 4.5056E+00 -1.0319E+01 -3.8295E+00 O6 5833 15.999400 -0.847600 1.7831E+01 1.7568E+01 2.4543E+00 H1 5834 1.008000 0.423800 1.7863E+01 1.7393E+01 3.4384E+00 H2 5835 1.008000 0.423800 1.8100E+01 1.8515E+01 2.2752E+00 O6 5836 15.999400 -0.847600 1.1624E+01 -1.5889E+01 -1.7885E+01 H1 5837 1.008000 0.423800 1.1630E+01 -1.6764E+01 -1.8368E+01 H2 5838 1.008000 0.423800 1.1546E+01 -1.5143E+01 -1.8547E+01 O6 5839 15.999400 -0.847600 1.6617E+01 -8.2665E+00 -1.6365E+01 H1 5840 1.008000 0.423800 1.7490E+01 -7.9031E+00 -1.6039E+01 H2 5841 1.008000 0.423800 1.6562E+01 -8.1612E+00 -1.7358E+01 O6 5842 15.999400 -0.847600 -1.3132E+01 1.6564E+01 -9.8927E+00 H1 5843 1.008000 0.423800 -1.3714E+01 1.5766E+01 -9.7389E+00 H2 5844 1.008000 0.423800 -1.3076E+01 1.7103E+01 -9.0522E+00 O6 5845 15.999400 -0.847600 -5.2823E+00 -1.8804E+01 -1.5874E+01 H1 5846 1.008000 0.423800 -4.7744E+00 -1.8070E+01 -1.6326E+01 H2 5847 1.008000 0.423800 -6.1289E+00 -1.8436E+01 -1.5490E+01 O6 5848 15.999400 -0.847600 5.6031E+00 -1.3365E+01 1.6015E+01 H1 5849 1.008000 0.423800 5.6953E+00 -1.4037E+01 1.5280E+01 H2 5850 1.008000 0.423800 6.4949E+00 -1.2954E+01 1.6205E+01 O6 5851 15.999400 -0.847600 -1.4463E+01 -1.7136E+01 1.4317E+01 H1 5852 1.008000 0.423800 -1.4179E+01 -1.8078E+01 1.4497E+01 H2 5853 1.008000 0.423800 -1.3659E+01 -1.6542E+01 1.4309E+01 O6 5854 15.999400 -0.847600 7.6456E+00 -2.3569E+00 -1.4291E+01 H1 5855 1.008000 0.423800 7.6106E+00 -3.1510E+00 -1.4898E+01 H2 5856 1.008000 0.423800 8.1538E+00 -1.6195E+00 -1.4736E+01 O6 5857 15.999400 -0.847600 1.0277E+01 1.6406E+01 4.7030E+00 H1 5858 1.008000 0.423800 1.0910E+01 1.6542E+01 5.4653E+00 H2 5859 1.008000 0.423800 9.3427E+00 1.6584E+01 5.0103E+00 O6 5860 15.999400 -0.847600 6.9382E+00 7.2312E+00 7.9285E-01 H1 5861 1.008000 0.423800 7.3850E+00 8.0677E+00 1.1102E+00 H2 5862 1.008000 0.423800 7.2959E+00 6.4485E+00 1.3023E+00 O6 5863 15.999400 -0.847600 -6.8077E+00 9.4153E+00 -6.8735E+00 H1 5864 1.008000 0.423800 -7.4666E+00 9.2980E+00 -6.1304E+00 H2 5865 1.008000 0.423800 -7.0836E+00 1.0188E+01 -7.4446E+00 O6 5866 15.999400 -0.847600 -1.7430E+01 -1.0936E+01 -2.5277E+00 H1 5867 1.008000 0.423800 -1.6757E+01 -1.0870E+01 -1.7910E+00 H2 5868 1.008000 0.423800 -1.7799E+01 -1.1864E+01 -2.5602E+00 O6 5869 15.999400 -0.847600 -3.4208E+00 1.2265E+01 1.6983E+01 H1 5870 1.008000 0.423800 -4.0206E+00 1.2011E+01 1.7742E+01 H2 5871 1.008000 0.423800 -3.8430E+00 1.1994E+01 1.6119E+01 O6 5872 15.999400 -0.847600 -1.8872E+01 3.2751E+00 1.8827E+01 H1 5873 1.008000 0.423800 -1.9060E+01 3.0288E+00 -1.9320E+01 H2 5874 1.008000 0.423800 -1.8984E+01 4.2619E+00 1.8710E+01 O6 5875 15.999400 -0.847600 1.6892E+01 -9.2533E+00 -1.8980E+01 H1 5876 1.008000 0.423800 1.7093E+01 -8.3720E+00 -1.9408E+01 H2 5877 1.008000 0.423800 1.7661E+01 -9.8763E+00 -1.9124E+01 O6 5878 15.999400 -0.847600 -1.1852E+01 1.4014E+01 -1.4386E+01 H1 5879 1.008000 0.423800 -1.1375E+01 1.3195E+01 -1.4707E+01 H2 5880 1.008000 0.423800 -1.1292E+01 1.4479E+01 -1.3701E+01 O6 5881 15.999400 -0.847600 5.5952E+00 -1.3598E+01 6.6416E-01 H1 5882 1.008000 0.423800 6.1576E+00 -1.4352E+01 3.2431E-01 H2 5883 1.008000 0.423800 5.0417E+00 -1.3916E+01 1.4339E+00 O6 5884 15.999400 -0.847600 -1.5911E+01 1.0673E+01 -1.2231E+01 H1 5885 1.008000 0.423800 -1.5176E+01 1.1334E+01 -1.2084E+01 H2 5886 1.008000 0.423800 -1.6566E+01 1.0730E+01 -1.1478E+01 O6 5887 15.999400 -0.847600 1.0935E+01 1.5818E+01 -1.0887E+01 H1 5888 1.008000 0.423800 1.1569E+01 1.5070E+01 -1.0688E+01 H2 5889 1.008000 0.423800 1.1411E+01 1.6528E+01 -1.1405E+01 O6 5890 15.999400 -0.847600 1.7955E+00 4.3277E+00 2.7269E+00 H1 5891 1.008000 0.423800 2.7868E+00 4.2587E+00 2.6142E+00 H2 5892 1.008000 0.423800 1.4758E+00 3.5910E+00 3.3227E+00 O6 5893 15.999400 -0.847600 5.7042E+00 -2.0217E+00 1.8466E+01 H1 5894 1.008000 0.423800 6.2988E+00 -1.2226E+00 1.8555E+01 H2 5895 1.008000 0.423800 6.0591E+00 -2.6231E+00 1.7750E+01 O6 5896 15.999400 -0.847600 8.1158E+00 -1.9223E+01 5.6650E+00 H1 5897 1.008000 0.423800 8.2899E+00 1.8904E+01 5.4968E+00 H2 5898 1.008000 0.423800 8.4860E+00 -1.8968E+01 6.5582E+00 O6 5899 15.999400 -0.847600 -1.2504E+01 2.1123E+00 1.6195E+01 H1 5900 1.008000 0.423800 -1.2936E+01 2.9926E+00 1.6391E+01 H2 5901 1.008000 0.423800 -1.3049E+01 1.6176E+00 1.5518E+01 O6 5902 15.999400 -0.847600 -5.6547E+00 3.0725E+00 -4.0080E+00 H1 5903 1.008000 0.423800 -5.6930E+00 2.1123E+00 -4.2850E+00 H2 5904 1.008000 0.423800 -6.3916E+00 3.2618E+00 -3.3591E+00 O6 5905 15.999400 -0.847600 7.0946E+00 1.1216E+01 -1.4230E+00 H1 5906 1.008000 0.423800 6.1003E+00 1.1111E+01 -1.4444E+00 H2 5907 1.008000 0.423800 7.3480E+00 1.2080E+01 -1.8572E+00 O6 5908 15.999400 -0.847600 -2.2675E+00 -5.1625E+00 -1.0488E+01 H1 5909 1.008000 0.423800 -2.5165E+00 -4.1953E+00 -1.0436E+01 H2 5910 1.008000 0.423800 -2.6200E+00 -5.5520E+00 -1.1338E+01 O6 5911 15.999400 -0.847600 -1.8132E+00 -1.4777E+01 -3.6442E+00 H1 5912 1.008000 0.423800 -1.7088E+00 -1.4051E+01 -4.3243E+00 H2 5913 1.008000 0.423800 -2.2816E+00 -1.5557E+01 -4.0586E+00 O6 5914 15.999400 -0.847600 -2.3225E+00 4.1088E+00 1.5799E+01 H1 5915 1.008000 0.423800 -2.8129E+00 3.4721E+00 1.5204E+01 H2 5916 1.008000 0.423800 -2.9117E+00 4.8888E+00 1.6010E+01 O6 5917 15.999400 -0.847600 8.3011E+00 -1.7482E+01 -1.1950E+01 H1 5918 1.008000 0.423800 8.9238E+00 -1.7168E+01 -1.1233E+01 H2 5919 1.008000 0.423800 8.1323E+00 -1.6737E+01 -1.2595E+01 O6 5920 15.999400 -0.847600 1.1934E+01 1.7465E+01 1.0232E+01 H1 5921 1.008000 0.423800 1.1809E+01 1.8119E+01 1.0978E+01 H2 5922 1.008000 0.423800 1.2862E+01 1.7545E+01 9.8701E+00 O6 5923 15.999400 -0.847600 1.6848E+01 9.8670E+00 -1.0465E+01 H1 5924 1.008000 0.423800 1.5938E+01 9.4541E+00 -1.0487E+01 H2 5925 1.008000 0.423800 1.7096E+01 1.0176E+01 -1.1383E+01 O6 5926 15.999400 -0.847600 -1.1689E+01 -1.1296E+01 1.1054E+01 H1 5927 1.008000 0.423800 -1.2199E+01 -1.1030E+01 1.1871E+01 H2 5928 1.008000 0.423800 -1.1089E+01 -1.2066E+01 1.1272E+01 O6 5929 15.999400 -0.847600 -1.7715E+01 5.4093E+00 -1.6145E+01 H1 5930 1.008000 0.423800 -1.8397E+01 6.1362E+00 -1.6222E+01 H2 5931 1.008000 0.423800 -1.7812E+01 4.9535E+00 -1.5260E+01 O6 5932 15.999400 -0.847600 -1.1526E+01 1.4073E+01 2.1417E+00 H1 5933 1.008000 0.423800 -1.1913E+01 1.3264E+01 1.6987E+00 H2 5934 1.008000 0.423800 -1.1965E+01 1.4209E+01 3.0295E+00 O6 5935 15.999400 -0.847600 1.2437E+01 -2.5865E+00 -1.0929E+01 H1 5936 1.008000 0.423800 1.2759E+01 -2.2050E+00 -1.0063E+01 H2 5937 1.008000 0.423800 1.3202E+01 -3.0144E+00 -1.1410E+01 O6 5938 15.999400 -0.847600 -2.7768E+00 2.1262E+00 -1.4566E+01 H1 5939 1.008000 0.423800 -2.7329E+00 3.1179E+00 -1.4688E+01 H2 5940 1.008000 0.423800 -3.1618E+00 1.7063E+00 -1.5388E+01 O6 5941 15.999400 -0.847600 -1.6116E-01 -8.6528E+00 -1.2344E+01 H1 5942 1.008000 0.423800 6.2421E-02 -7.6920E+00 -1.2508E+01 H2 5943 1.008000 0.423800 4.4028E-01 -9.2331E+00 -1.2893E+01 O6 5944 15.999400 -0.847600 -1.4362E+01 -8.2965E+00 -1.1267E+01 H1 5945 1.008000 0.423800 -1.3704E+01 -8.9221E+00 -1.1685E+01 H2 5946 1.008000 0.423800 -1.4534E+01 -7.5300E+00 -1.1885E+01 O6 5947 15.999400 -0.847600 6.8927E+00 6.0578E+00 5.0623E+00 H1 5948 1.008000 0.423800 6.2003E+00 6.6505E+00 5.4740E+00 H2 5949 1.008000 0.423800 7.8035E+00 6.3836E+00 5.3158E+00 O6 5950 15.999400 -0.847600 3.5240E+00 1.8232E+01 7.2706E+00 H1 5951 1.008000 0.423800 2.7752E+00 1.7575E+01 7.1838E+00 H2 5952 1.008000 0.423800 3.6744E+00 1.8684E+01 6.3913E+00 O6 5953 15.999400 -0.847600 1.3641E+01 -2.3723E+00 1.7086E+01 H1 5954 1.008000 0.423800 1.4366E+01 -1.6907E+00 1.6985E+01 H2 5955 1.008000 0.423800 1.3655E+01 -2.7383E+00 1.8017E+01 O6 5956 15.999400 -0.847600 7.6933E+00 -8.6251E+00 -3.5082E+00 H1 5957 1.008000 0.423800 8.5577E+00 -8.6647E+00 -3.0068E+00 H2 5958 1.008000 0.423800 7.8482E+00 -8.8876E+00 -4.4606E+00 O6 5959 15.999400 -0.847600 1.5751E+01 -9.0057E-01 -1.7042E+01 H1 5960 1.008000 0.423800 1.5425E+01 -1.5953E+00 -1.6401E+01 H2 5961 1.008000 0.423800 1.4974E+01 -3.7552E-01 -1.7388E+01 O6 5962 15.999400 -0.847600 1.8316E+01 -1.1182E+01 1.6707E+01 H1 5963 1.008000 0.423800 1.8013E+01 -1.2058E+01 1.7083E+01 H2 5964 1.008000 0.423800 1.8004E+01 -1.1100E+01 1.5760E+01 O6 5965 15.999400 -0.847600 3.7407E+00 5.6474E+00 1.1677E+01 H1 5966 1.008000 0.423800 4.1660E+00 6.3332E+00 1.2268E+01 H2 5967 1.008000 0.423800 4.2413E+00 5.5954E+00 1.0813E+01 O6 5968 15.999400 -0.847600 6.0973E+00 -2.4242E+00 -1.2143E+01 H1 5969 1.008000 0.423800 6.6668E+00 -2.5623E+00 -1.2953E+01 H2 5970 1.008000 0.423800 5.1436E+00 -2.3108E+00 -1.2421E+01 O6 5971 15.999400 -0.847600 -7.3522E+00 -4.0643E+00 1.6573E+01 H1 5972 1.008000 0.423800 -6.4446E+00 -4.1534E+00 1.6163E+01 H2 5973 1.008000 0.423800 -8.0447E+00 -4.3712E+00 1.5920E+01 O6 5974 15.999400 -0.847600 2.6856E+00 7.0273E+00 -1.7939E+01 H1 5975 1.008000 0.423800 2.9688E+00 7.7631E+00 -1.8554E+01 H2 5976 1.008000 0.423800 1.8464E+00 6.6080E+00 -1.8285E+01 O6 5977 15.999400 -0.847600 1.0385E+01 -3.7588E+00 1.3584E+01 H1 5978 1.008000 0.423800 1.0872E+01 -4.4248E+00 1.4149E+01 H2 5979 1.008000 0.423800 1.0203E+01 -4.1549E+00 1.2684E+01 O6 5980 15.999400 -0.847600 1.1631E+01 4.2672E+00 -1.9001E+01 H1 5981 1.008000 0.423800 1.0649E+01 4.4228E+00 -1.9110E+01 H2 5982 1.008000 0.423800 1.2011E+01 4.9546E+00 -1.8382E+01 O6 5983 15.999400 -0.847600 1.8063E+01 1.9662E-02 -1.0289E+01 H1 5984 1.008000 0.423800 1.7422E+01 -3.5224E-01 -1.0960E+01 H2 5985 1.008000 0.423800 1.8548E+01 -7.3080E-01 -9.8396E+00 O6 5986 15.999400 -0.847600 1.1297E+00 -9.2377E+00 -1.1613E+00 H1 5987 1.008000 0.423800 2.1232E+00 -9.3511E+00 -1.1699E+00 H2 5988 1.008000 0.423800 8.8789E-01 -8.3820E+00 -1.6188E+00 O6 5989 15.999400 -0.847600 4.8765E+00 9.6221E+00 -1.0644E+01 H1 5990 1.008000 0.423800 4.4438E+00 9.9461E+00 -1.1486E+01 H2 5991 1.008000 0.423800 5.1641E+00 8.6716E+00 -1.0762E+01 O6 5992 15.999400 -0.847600 -2.9534E+00 -8.6223E+00 -6.4884E+00 H1 5993 1.008000 0.423800 -2.0669E+00 -9.0775E+00 -6.5720E+00 H2 5994 1.008000 0.423800 -3.1264E+00 -8.0767E+00 -7.3084E+00 O6 5995 15.999400 -0.847600 1.6176E+01 1.6600E+01 4.4531E-01 H1 5996 1.008000 0.423800 1.6724E+01 1.7006E+01 1.1769E+00 H2 5997 1.008000 0.423800 1.5376E+01 1.7174E+01 2.7060E-01 O6 5998 15.999400 -0.847600 1.3417E+01 1.2122E+01 -3.9500E+00 H1 5999 1.008000 0.423800 1.3082E+01 1.2294E+01 -4.8764E+00 H2 6000 1.008000 0.423800 1.2717E+01 1.1635E+01 -3.4274E+00 O6 6001 15.999400 -0.847600 -6.2188E+00 1.6694E+01 1.4919E+00 H1 6002 1.008000 0.423800 -6.8213E+00 1.5967E+01 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1.3463E+01 1.3318E+01 7.2331E+00 O6 13 15.999400 -0.847600 -1.0711E+00 -1.2950E+01 -1.0785E-01 H1 14 1.008000 0.423800 -9.7506E-01 -1.2629E+01 -1.0503E+00 H2 15 1.008000 0.423800 -1.1329E+00 -1.3948E+01 -9.9808E-02 O6 16 15.999400 -0.847600 -5.3302E+00 -1.3981E+01 1.4744E+01 H1 17 1.008000 0.423800 -4.6395E+00 -1.3316E+01 1.5029E+01 H2 18 1.008000 0.423800 -5.9073E+00 -1.3579E+01 1.4034E+01 O6 19 15.999400 -0.847600 -1.5699E+01 1.7045E+01 1.1483E+01 H1 20 1.008000 0.423800 -1.4966E+01 1.7068E+01 1.2162E+01 H2 21 1.008000 0.423800 -1.6242E+01 1.6215E+01 1.1606E+01 O6 22 15.999400 -0.847600 -1.3956E+01 -1.8774E+01 -1.8994E+01 H1 23 1.008000 0.423800 -1.3959E+01 1.9466E+01 -1.8480E+01 H2 24 1.008000 0.423800 -1.3044E+01 -1.8367E+01 -1.8958E+01 O6 25 15.999400 -0.847600 1.0699E+01 -2.5992E+00 -7.0559E-01 H1 26 1.008000 0.423800 1.0179E+01 -2.1426E+00 1.6413E-02 H2 27 1.008000 0.423800 1.0398E+01 -3.5499E+00 -7.8243E-01 O6 28 15.999400 -0.847600 -2.0459E+00 -1.6336E+00 -1.0578E+00 H1 29 1.008000 0.423800 -2.9592E+00 -1.5819E+00 -1.4619E+00 H2 30 1.008000 0.423800 -1.6399E+00 -7.2009E-01 -1.0337E+00 O6 31 15.999400 -0.847600 -6.6412E+00 1.7155E+01 1.0032E+01 H1 32 1.008000 0.423800 -7.0930E+00 1.7744E+01 9.3611E+00 H2 33 1.008000 0.423800 -5.7153E+00 1.7493E+01 1.0201E+01 O6 34 15.999400 -0.847600 -1.2574E+01 3.8394E+00 -1.4034E+01 H1 35 1.008000 0.423800 -1.2831E+01 4.4020E+00 -1.3249E+01 H2 36 1.008000 0.423800 -1.3199E+01 4.0207E+00 -1.4793E+01 O6 37 15.999400 -0.847600 1.2548E+01 -7.0760E+00 6.1637E+00 H1 38 1.008000 0.423800 1.2863E+01 -6.5579E+00 6.9591E+00 H2 39 1.008000 0.423800 1.1938E+01 -7.8094E+00 6.4638E+00 O6 40 15.999400 -0.847600 -4.9374E+00 -7.3505E+00 -3.7089E+00 H1 41 1.008000 0.423800 -4.0767E+00 -7.3978E+00 -3.2019E+00 H2 42 1.008000 0.423800 -5.6672E+00 -7.0427E+00 -3.0985E+00 O6 43 15.999400 -0.847600 -2.0895E+00 -5.4457E+00 4.7106E+00 H1 44 1.008000 0.423800 -2.1208E+00 -6.3221E+00 5.1912E+00 H2 45 1.008000 0.423800 -2.3116E+00 -5.5866E+00 3.7458E+00 O6 46 15.999400 -0.847600 -8.7821E+00 7.9426E+00 8.9608E-01 H1 47 1.008000 0.423800 -9.2320E+00 8.8056E+00 1.1263E+00 H2 48 1.008000 0.423800 -9.2606E+00 7.5110E+00 1.3141E-01 O6 49 15.999400 -0.847600 -8.8314E+00 1.5634E+01 -9.8313E+00 H1 50 1.008000 0.423800 -9.2820E+00 1.4755E+01 -9.6782E+00 H2 51 1.008000 0.423800 -8.5824E+00 1.5718E+01 -1.0796E+01 O6 52 15.999400 -0.847600 1.7543E+01 -8.5521E+00 4.5901E+00 H1 53 1.008000 0.423800 1.7263E+01 -7.9749E+00 5.3572E+00 H2 54 1.008000 0.423800 1.8061E+01 -8.0048E+00 3.9331E+00 O6 55 15.999400 -0.847600 -8.9621E+00 -7.5786E+00 -1.8668E+01 H1 56 1.008000 0.423800 -9.4919E+00 -7.1376E+00 -1.9392E+01 H2 57 1.008000 0.423800 -8.2840E+00 -8.1899E+00 -1.9076E+01 O6 58 15.999400 -0.847600 7.0499E+00 -1.3642E+01 -1.4673E+01 H1 59 1.008000 0.423800 7.1725E+00 -1.3306E+01 -1.5607E+01 H2 60 1.008000 0.423800 7.4841E+00 -1.4538E+01 -1.4582E+01 O6 61 15.999400 -0.847600 -1.9360E+01 -1.6848E+01 1.2031E+01 H1 62 1.008000 0.423800 1.9522E+01 -1.7340E+01 1.2875E+01 H2 63 1.008000 0.423800 1.9219E+01 -1.5993E+01 1.2002E+01 O6 64 15.999400 -0.847600 9.2694E-01 -1.5466E+01 2.4254E+00 H1 65 1.008000 0.423800 1.0710E+00 -1.4533E+01 2.7548E+00 H2 66 1.008000 0.423800 1.2899E+00 -1.6116E+01 3.0938E+00 O6 67 15.999400 -0.847600 -6.9910E+00 -1.3657E+01 7.5086E+00 H1 68 1.008000 0.423800 -6.5748E+00 -1.3715E+01 6.6012E+00 H2 69 1.008000 0.423800 -7.9837E+00 -1.3744E+01 7.4263E+00 O6 70 15.999400 -0.847600 1.1739E+01 -1.1759E+01 4.3383E+00 H1 71 1.008000 0.423800 1.2433E+01 -1.2211E+01 3.7779E+00 H2 72 1.008000 0.423800 1.1630E+01 -1.2256E+01 5.1991E+00 O6 73 15.999400 -0.847600 1.8637E-01 -9.3772E+00 -1.2009E+00 H1 74 1.008000 0.423800 5.0965E-01 -8.4313E+00 -1.2295E+00 H2 75 1.008000 0.423800 3.4603E-01 -9.7565E+00 -2.8954E-01 O6 76 15.999400 -0.847600 9.1570E+00 1.2079E+01 -9.4469E-01 H1 77 1.008000 0.423800 8.6094E+00 1.2811E+01 -5.3986E-01 H2 78 1.008000 0.423800 9.9690E+00 1.1921E+01 -3.8296E-01 O6 79 15.999400 -0.847600 1.8890E+00 -1.6438E+01 1.9013E+01 H1 80 1.008000 0.423800 2.3677E+00 -1.7310E+01 1.8907E+01 H2 81 1.008000 0.423800 2.0906E+00 -1.6055E+01 -1.9184E+01 O6 82 15.999400 -0.847600 -2.9811E+00 -6.4037E+00 2.2646E+00 H1 83 1.008000 0.423800 -3.0354E+00 -5.9516E+00 1.3742E+00 H2 84 1.008000 0.423800 -2.7925E+00 -7.3769E+00 2.1333E+00 O6 85 15.999400 -0.847600 1.5023E+00 3.6205E+00 -1.3989E+01 H1 86 1.008000 0.423800 6.8722E-01 4.0878E+00 -1.3646E+01 H2 87 1.008000 0.423800 1.3086E+00 3.2290E+00 -1.4888E+01 O6 88 15.999400 -0.847600 9.8070E+00 -1.6753E+01 -9.1396E+00 H1 89 1.008000 0.423800 9.1257E+00 -1.6944E+01 -8.4328E+00 H2 90 1.008000 0.423800 1.0442E+01 -1.6055E+01 -8.8102E+00 O6 91 15.999400 -0.847600 -7.2429E+00 -9.8201E+00 -5.1742E+00 H1 92 1.008000 0.423800 -7.5166E+00 -8.8612E+00 -5.0986E+00 H2 93 1.008000 0.423800 -7.1605E+00 -1.0068E+01 -6.1395E+00 O6 94 15.999400 -0.847600 -1.7982E+01 4.7256E+00 6.7757E+00 H1 95 1.008000 0.423800 -1.7454E+01 4.1664E+00 6.1366E+00 H2 96 1.008000 0.423800 -1.8707E+01 5.2032E+00 6.2799E+00 O6 97 15.999400 -0.847600 1.5773E+01 -2.0602E-01 -1.7825E+01 H1 98 1.008000 0.423800 1.5350E+01 6.9604E-01 -1.7908E+01 H2 99 1.008000 0.423800 1.6749E+01 -1.3629E-01 -1.8033E+01 O6 100 15.999400 -0.847600 -3.1821E+00 -1.0385E+01 7.6681E+00 H1 101 1.008000 0.423800 -3.2606E+00 -1.1245E+01 8.1715E+00 H2 102 1.008000 0.423800 -2.5358E+00 -9.7822E+00 8.1365E+00 O6 103 15.999400 -0.847600 1.5319E+01 5.1571E+00 -9.6726E+00 H1 104 1.008000 0.423800 1.4350E+01 5.3353E+00 -9.5030E+00 H2 105 1.008000 0.423800 1.5468E+01 4.1715E+00 -9.7531E+00 O6 106 15.999400 -0.847600 1.6327E+00 1.3679E+01 -1.6368E+01 H1 107 1.008000 0.423800 2.3859E+00 1.3543E+01 -1.7012E+01 H2 108 1.008000 0.423800 1.2740E+00 1.2791E+01 -1.6082E+01 O6 109 15.999400 -0.847600 -1.0982E+01 -1.8541E+01 1.4243E+01 H1 110 1.008000 0.423800 -9.9969E+00 -1.8519E+01 1.4414E+01 H2 111 1.008000 0.423800 -1.1315E+01 -1.9480E+01 1.4334E+01 O6 112 15.999400 -0.847600 8.2974E+00 -1.8048E+00 6.5332E+00 H1 113 1.008000 0.423800 7.4689E+00 -1.8340E+00 7.0924E+00 H2 114 1.008000 0.423800 8.2854E+00 -9.8376E-01 5.9624E+00 O6 115 15.999400 -0.847600 -1.9433E+01 -1.4908E+01 -1.3481E+01 H1 116 1.008000 0.423800 1.9503E+01 -1.5282E+01 -1.2568E+01 H2 117 1.008000 0.423800 1.9409E+01 -1.3942E+01 -1.3497E+01 O6 118 15.999400 -0.847600 3.7122E+00 -3.4365E+00 4.5748E+00 H1 119 1.008000 0.423800 3.3334E+00 -3.4478E+00 3.6494E+00 H2 120 1.008000 0.423800 4.0076E+00 -4.3585E+00 4.8253E+00 O6 121 15.999400 -0.847600 -5.4979E+00 5.9879E+00 -6.3625E-01 H1 122 1.008000 0.423800 -4.8211E+00 5.3645E+00 -2.4463E-01 H2 123 1.008000 0.423800 -5.8147E+00 6.6218E+00 6.9302E-02 O6 124 15.999400 -0.847600 2.7919E+00 -1.7323E+01 1.5449E+01 H1 125 1.008000 0.423800 2.0612E+00 -1.6792E+01 1.5020E+01 H2 126 1.008000 0.423800 2.4121E+00 -1.7871E+01 1.6194E+01 O6 127 15.999400 -0.847600 -1.6522E+01 1.7402E+01 1.5767E+01 H1 128 1.008000 0.423800 -1.7211E+01 1.6678E+01 1.5789E+01 H2 129 1.008000 0.423800 -1.6944E+01 1.8254E+01 1.5459E+01 O6 130 15.999400 -0.847600 1.6182E+01 -6.7597E+00 -4.3381E+00 H1 131 1.008000 0.423800 1.6477E+01 -6.3638E+00 -5.2074E+00 H2 132 1.008000 0.423800 1.5380E+01 -6.2647E+00 -4.0019E+00 O6 133 15.999400 -0.847600 -1.8813E+01 8.4760E+00 9.7259E+00 H1 134 1.008000 0.423800 -1.8673E+01 7.8582E+00 1.0500E+01 H2 135 1.008000 0.423800 1.9317E+01 8.4770E+00 9.4718E+00 O6 136 15.999400 -0.847600 -1.8181E+01 6.9777E+00 1.1850E+01 H1 137 1.008000 0.423800 -1.7542E+01 6.2197E+00 1.1978E+01 H2 138 1.008000 0.423800 -1.8243E+01 7.5079E+00 1.2696E+01 O6 139 15.999400 -0.847600 5.5119E+00 1.7212E+01 -8.2400E+00 H1 140 1.008000 0.423800 4.8410E+00 1.7290E+01 -8.9775E+00 H2 141 1.008000 0.423800 5.8284E+00 1.6266E+01 -8.1757E+00 O6 142 15.999400 -0.847600 -1.7858E+01 -1.5854E+01 -3.8405E+00 H1 143 1.008000 0.423800 -1.8338E+01 -1.5028E+01 -4.1364E+00 H2 144 1.008000 0.423800 -1.7845E+01 -1.6518E+01 -4.5884E+00 O6 145 15.999400 -0.847600 -6.5358E+00 -3.9375E+00 6.8478E+00 H1 146 1.008000 0.423800 -5.7930E+00 -4.1939E+00 6.2293E+00 H2 147 1.008000 0.423800 -6.4933E+00 -2.9553E+00 7.0304E+00 O6 148 15.999400 -0.847600 -3.3274E+00 8.6754E+00 -4.2509E+00 H1 149 1.008000 0.423800 -2.4997E+00 8.1899E+00 -4.5320E+00 H2 150 1.008000 0.423800 -3.3667E+00 9.5619E+00 -4.7119E+00 O6 151 15.999400 -0.847600 1.7581E+01 -1.6569E+01 -3.0943E+00 H1 152 1.008000 0.423800 1.6811E+01 -1.5942E+01 -3.2129E+00 H2 153 1.008000 0.423800 1.8070E+01 -1.6341E+01 -2.2523E+00 O6 154 15.999400 -0.847600 1.8997E+01 5.8031E+00 -1.8672E+01 H1 155 1.008000 0.423800 1.8243E+01 5.6028E+00 -1.9298E+01 H2 156 1.008000 0.423800 -1.9409E+01 6.3478E+00 -1.9148E+01 O6 157 15.999400 -0.847600 1.3268E+01 -3.8237E+00 -9.7703E+00 H1 158 1.008000 0.423800 1.3959E+01 -3.2334E+00 -9.3527E+00 H2 159 1.008000 0.423800 1.3630E+01 -4.2117E+00 -1.0618E+01 O6 160 15.999400 -0.847600 -1.5918E+01 2.2339E+00 -1.4057E+01 H1 161 1.008000 0.423800 -1.6180E+01 1.5622E+00 -1.4750E+01 H2 162 1.008000 0.423800 -1.5682E+01 3.0976E+00 -1.4502E+01 O6 163 15.999400 -0.847600 1.0421E+01 -1.7828E+01 -4.1803E+00 H1 164 1.008000 0.423800 1.1052E+01 -1.8076E+01 -3.4448E+00 H2 165 1.008000 0.423800 1.0190E+01 -1.6858E+01 -4.1088E+00 O6 166 15.999400 -0.847600 6.5436E+00 1.1711E+01 1.7783E+01 H1 167 1.008000 0.423800 6.4660E+00 1.1894E+01 1.6803E+01 H2 168 1.008000 0.423800 7.3975E+00 1.2101E+01 1.8128E+01 O6 169 15.999400 -0.847600 -8.7110E-01 -1.3470E+01 1.1564E+01 H1 170 1.008000 0.423800 -3.3455E-01 -1.3949E+01 1.0870E+01 H2 171 1.008000 0.423800 -1.3420E+00 -1.4138E+01 1.2141E+01 O6 172 15.999400 -0.847600 -7.8339E+00 1.1246E+01 7.5075E+00 H1 173 1.008000 0.423800 -7.5423E+00 1.1866E+01 6.7792E+00 H2 174 1.008000 0.423800 -7.7581E+00 1.1709E+01 8.3903E+00 O6 175 15.999400 -0.847600 -9.6111E+00 1.5886E+01 -3.4296E+00 H1 176 1.008000 0.423800 -8.8407E+00 1.5886E+01 -2.7920E+00 H2 177 1.008000 0.423800 -1.0054E+01 1.6783E+01 -3.4169E+00 O6 178 15.999400 -0.847600 8.9602E+00 1.6069E+01 4.1763E+00 H1 179 1.008000 0.423800 9.5085E+00 1.6335E+01 4.9692E+00 H2 180 1.008000 0.423800 9.5324E+00 1.6081E+01 3.3563E+00 O6 181 15.999400 -0.847600 1.1343E+01 6.3022E+00 -1.5303E+01 H1 182 1.008000 0.423800 1.0713E+01 6.5830E+00 -1.4579E+01 H2 183 1.008000 0.423800 1.1548E+01 7.0862E+00 -1.5889E+01 O6 184 15.999400 -0.847600 -1.2299E+01 -7.7110E+00 1.3197E+01 H1 185 1.008000 0.423800 -1.1730E+01 -7.3289E+00 1.2469E+01 H2 186 1.008000 0.423800 -1.2892E+01 -8.4218E+00 1.2818E+01 O6 187 15.999400 -0.847600 4.4600E+00 -5.5340E+00 -1.5616E+01 H1 188 1.008000 0.423800 4.1404E+00 -5.0796E+00 -1.4785E+01 H2 189 1.008000 0.423800 4.5428E+00 -6.5163E+00 -1.5449E+01 O6 190 15.999400 -0.847600 -1.2123E+01 -1.4447E+01 1.7047E+01 H1 191 1.008000 0.423800 -1.2861E+01 -1.4717E+01 1.7666E+01 H2 192 1.008000 0.423800 -1.1244E+01 -1.4551E+01 1.7513E+01 O6 193 15.999400 -0.847600 -1.1543E+01 -1.7749E+01 -1.8906E+01 H1 194 1.008000 0.423800 -1.0724E+01 -1.8000E+01 -1.8390E+01 H2 195 1.008000 0.423800 -1.1617E+01 -1.6753E+01 -1.8951E+01 O6 196 15.999400 -0.847600 -2.6682E+00 1.8963E+01 -6.7995E+00 H1 197 1.008000 0.423800 -2.1359E+00 -1.9367E+01 -7.1549E+00 H2 198 1.008000 0.423800 -3.4557E+00 1.8800E+01 -7.3937E+00 O6 199 15.999400 -0.847600 -6.2062E+00 -1.0234E+01 -2.4404E+00 H1 200 1.008000 0.423800 -6.3633E+00 -1.0475E+01 -3.3979E+00 H2 201 1.008000 0.423800 -6.8854E+00 -9.5590E+00 -2.1514E+00 O6 202 15.999400 -0.847600 -1.9415E+01 4.5490E+00 -1.6348E+01 H1 203 1.008000 0.423800 -1.9541E+01 4.9072E+00 -1.7273E+01 H2 204 1.008000 0.423800 1.8973E+01 4.9194E+00 -1.5748E+01 O6 205 15.999400 -0.847600 1.4961E+01 -5.9305E+00 5.0637E+00 H1 206 1.008000 0.423800 1.5187E+01 -6.1139E+00 4.1069E+00 H2 207 1.008000 0.423800 1.3999E+01 -6.1506E+00 5.2273E+00 O6 208 15.999400 -0.847600 1.2743E+01 6.6780E+00 -9.4902E+00 H1 209 1.008000 0.423800 1.2654E+01 6.4381E+00 -8.5235E+00 H2 210 1.008000 0.423800 1.2198E+01 7.4941E+00 -9.6829E+00 O6 211 15.999400 -0.847600 5.0773E+00 -1.5636E+01 5.4264E-01 H1 212 1.008000 0.423800 4.6789E+00 -1.4935E+01 1.1346E+00 H2 213 1.008000 0.423800 5.5721E+00 -1.6302E+01 1.1009E+00 O6 214 15.999400 -0.847600 -1.6629E+00 -4.9355E+00 -3.5769E+00 H1 215 1.008000 0.423800 -2.0993E+00 -5.5222E+00 -2.8948E+00 H2 216 1.008000 0.423800 -1.3251E+00 -5.4970E+00 -4.3323E+00 O6 217 15.999400 -0.847600 1.4048E+01 -1.0249E+01 -6.6595E-01 H1 218 1.008000 0.423800 1.3392E+01 -1.0653E+01 -2.8334E-02 H2 219 1.008000 0.423800 1.4978E+01 -1.0421E+01 -3.4080E-01 O6 220 15.999400 -0.847600 6.2631E+00 -5.2026E+00 6.8384E+00 H1 221 1.008000 0.423800 5.9880E+00 -4.4123E+00 7.3860E+00 H2 222 1.008000 0.423800 6.7548E+00 -4.8900E+00 6.0257E+00 O6 223 15.999400 -0.847600 2.7891E+00 1.6172E+01 1.2893E+01 H1 224 1.008000 0.423800 1.9221E+00 1.6164E+01 1.3391E+01 H2 225 1.008000 0.423800 2.6715E+00 1.6660E+01 1.2028E+01 O6 226 15.999400 -0.847600 -1.2861E+01 9.2267E+00 1.5301E+01 H1 227 1.008000 0.423800 -1.2084E+01 9.7565E+00 1.5641E+01 H2 228 1.008000 0.423800 -1.2897E+01 9.2893E+00 1.4304E+01 O6 229 15.999400 -0.847600 7.2733E-01 1.5465E+01 -1.1947E+01 H1 230 1.008000 0.423800 1.6322E+00 1.5094E+01 -1.2155E+01 H2 231 1.008000 0.423800 2.5317E-02 1.4878E+01 -1.2350E+01 O6 232 15.999400 -0.847600 -1.5555E+01 -1.8251E+00 -1.0487E+01 H1 233 1.008000 0.423800 -1.5421E+01 -1.8777E+00 -1.1476E+01 H2 234 1.008000 0.423800 -1.4982E+01 -1.0969E+00 -1.0111E+01 O6 235 15.999400 -0.847600 1.3385E+01 -1.1161E+01 -3.0983E+00 H1 236 1.008000 0.423800 1.3093E+01 -1.0348E+01 -3.6029E+00 H2 237 1.008000 0.423800 1.3823E+01 -1.0882E+01 -2.2433E+00 O6 238 15.999400 -0.847600 1.0738E+01 -1.0895E+01 8.2754E+00 H1 239 1.008000 0.423800 1.0613E+01 -1.1666E+01 7.6510E+00 H2 240 1.008000 0.423800 1.1715E+01 -1.0710E+01 8.3842E+00 O6 241 15.999400 -0.847600 -1.5617E+01 -1.2904E+00 -1.3576E+01 H1 242 1.008000 0.423800 -1.4863E+01 -6.3353E-01 -1.3570E+01 H2 243 1.008000 0.423800 -1.6443E+01 -8.4588E-01 -1.3920E+01 O6 244 15.999400 -0.847600 -1.6457E+01 -1.8264E+01 5.2459E+00 H1 245 1.008000 0.423800 -1.6371E+01 -1.7654E+01 6.0338E+00 H2 246 1.008000 0.423800 -1.6245E+01 -1.9201E+01 5.5247E+00 O6 247 15.999400 -0.847600 1.1096E+00 -6.4050E+00 -3.5629E+00 H1 248 1.008000 0.423800 4.5161E-01 -6.4839E+00 -4.3119E+00 H2 249 1.008000 0.423800 1.6964E+00 -5.6102E+00 -3.7172E+00 O6 250 15.999400 -0.847600 -5.3283E+00 1.2203E+01 -8.2248E+00 H1 251 1.008000 0.423800 -5.2738E+00 1.2541E+01 -9.1644E+00 H2 252 1.008000 0.423800 -4.8955E+00 1.2861E+01 -7.6085E+00 O6 253 15.999400 -0.847600 6.5849E+00 2.8262E+00 -1.4129E+01 H1 254 1.008000 0.423800 7.2371E+00 3.5393E+00 -1.4387E+01 H2 255 1.008000 0.423800 6.5971E+00 2.7060E+00 -1.3137E+01 O6 256 15.999400 -0.847600 6.4256E+00 1.5038E+01 3.8929E+00 H1 257 1.008000 0.423800 7.3176E+00 1.5400E+01 4.1642E+00 H2 258 1.008000 0.423800 5.7079E+00 1.5488E+01 4.4243E+00 O6 259 15.999400 -0.847600 -3.5261E+00 1.5495E+01 1.9494E+00 H1 260 1.008000 0.423800 -3.8640E+00 1.4626E+01 2.3101E+00 H2 261 1.008000 0.423800 -2.6925E+00 1.5335E+01 1.4207E+00 O6 262 15.999400 -0.847600 3.5242E+00 -2.9499E-01 8.1061E+00 H1 263 1.008000 0.423800 4.0177E+00 4.5389E-01 7.6638E+00 H2 264 1.008000 0.423800 3.1954E+00 5.4677E-03 9.0014E+00 O6 265 15.999400 -0.847600 1.5173E+01 4.5609E-01 -1.0531E+01 H1 266 1.008000 0.423800 1.4457E+01 9.5839E-01 -1.1016E+01 H2 267 1.008000 0.423800 1.5465E+01 -3.2453E-01 -1.1083E+01 O6 268 15.999400 -0.847600 -3.0994E+00 2.7354E+00 8.4530E+00 H1 269 1.008000 0.423800 -2.7891E+00 3.6824E+00 8.5367E+00 H2 270 1.008000 0.423800 -2.3217E+00 2.1486E+00 8.2273E+00 O6 271 15.999400 -0.847600 6.2706E+00 2.6348E+00 -1.1535E+01 H1 272 1.008000 0.423800 5.5761E+00 3.2090E+00 -1.1101E+01 H2 273 1.008000 0.423800 6.7438E+00 2.0987E+00 -1.0836E+01 O6 274 15.999400 -0.847600 -5.2043E+00 -1.0043E+01 4.5312E-02 H1 275 1.008000 0.423800 -4.9201E+00 -1.0960E+01 3.2672E-01 H2 276 1.008000 0.423800 -5.4535E+00 -1.0054E+01 -9.2306E-01 O6 277 15.999400 -0.847600 5.2112E+00 1.4549E+00 -1.5998E+01 H1 278 1.008000 0.423800 4.8527E+00 6.8851E-01 -1.5465E+01 H2 279 1.008000 0.423800 5.7255E+00 2.0670E+00 -1.5397E+01 O6 280 15.999400 -0.847600 -2.1312E+00 7.0760E-01 1.0953E+01 H1 281 1.008000 0.423800 -1.2404E+00 1.0995E+00 1.1183E+01 H2 282 1.008000 0.423800 -2.5492E+00 1.2397E+00 1.0217E+01 O6 283 15.999400 -0.847600 2.9305E+00 2.2181E+00 1.5715E+01 H1 284 1.008000 0.423800 3.7222E+00 2.6008E+00 1.6191E+01 H2 285 1.008000 0.423800 3.1272E+00 1.2753E+00 1.5446E+01 O6 286 15.999400 -0.847600 -4.3871E+00 -9.7631E+00 1.7439E+01 H1 287 1.008000 0.423800 -4.5747E+00 -8.8210E+00 1.7717E+01 H2 288 1.008000 0.423800 -5.2487E+00 -1.0264E+01 1.7356E+01 O6 289 15.999400 -0.847600 -1.0867E+01 -9.0653E+00 -4.1215E-01 H1 290 1.008000 0.423800 -1.0376E+01 -9.9359E+00 -3.6898E-01 H2 291 1.008000 0.423800 -1.1836E+01 -9.2370E+00 -5.8769E-01 O6 292 15.999400 -0.847600 -3.0285E+00 -9.1854E+00 1.6525E+00 H1 293 1.008000 0.423800 -3.0163E+00 -8.9406E+00 6.8297E-01 H2 294 1.008000 0.423800 -3.6919E+00 -9.9184E+00 1.8028E+00 O6 295 15.999400 -0.847600 -1.9080E+01 1.5921E+01 -2.1209E+00 H1 296 1.008000 0.423800 -1.8797E+01 1.6641E+01 -1.4876E+00 H2 297 1.008000 0.423800 -1.8528E+01 1.5102E+01 -1.9627E+00 O6 298 15.999400 -0.847600 9.4862E+00 1.7524E+01 -1.6317E+01 H1 299 1.008000 0.423800 1.0292E+01 1.7617E+01 -1.6901E+01 H2 300 1.008000 0.423800 9.4234E+00 1.8314E+01 -1.5707E+01 O6 301 15.999400 -0.847600 6.7079E+00 -7.2760E+00 -1.3408E+01 H1 302 1.008000 0.423800 7.3009E+00 -7.5598E+00 -1.2654E+01 H2 303 1.008000 0.423800 7.2445E+00 -6.7666E+00 -1.4080E+01 O6 304 15.999400 -0.847600 1.0545E+01 -1.3496E+01 1.0452E+00 H1 305 1.008000 0.423800 1.1211E+01 -1.4091E+01 1.4953E+00 H2 306 1.008000 0.423800 1.0986E+01 -1.2634E+01 7.9377E-01 O6 307 15.999400 -0.847600 -6.7910E-01 -1.7276E+01 -1.6931E+01 H1 308 1.008000 0.423800 -1.0903E+00 -1.7870E+01 -1.7622E+01 H2 309 1.008000 0.423800 -1.7446E-01 -1.6540E+01 -1.7382E+01 O6 310 15.999400 -0.847600 1.1216E+01 -3.6455E+00 -8.1095E+00 H1 311 1.008000 0.423800 1.1416E+01 -4.1401E+00 -7.2637E+00 H2 312 1.008000 0.423800 1.1978E+01 -3.7548E+00 -8.7478E+00 O6 313 15.999400 -0.847600 -1.3362E+01 -5.4023E+00 6.8457E+00 H1 314 1.008000 0.423800 -1.4139E+01 -4.7878E+00 6.7052E+00 H2 315 1.008000 0.423800 -1.2621E+01 -4.9051E+00 7.2967E+00 O6 316 15.999400 -0.847600 -5.8067E+00 -1.8196E+01 -6.3043E+00 H1 317 1.008000 0.423800 -5.4502E+00 -1.7263E+01 -6.2645E+00 H2 318 1.008000 0.423800 -5.3776E+00 -1.8685E+01 -7.0640E+00 O6 319 15.999400 -0.847600 1.0235E+01 -5.8045E+00 -1.7242E+01 H1 320 1.008000 0.423800 1.0248E+01 -5.0634E+00 -1.7913E+01 H2 321 1.008000 0.423800 1.0059E+01 -5.4273E+00 -1.6333E+01 O6 322 15.999400 -0.847600 1.5019E+01 1.5546E+01 -1.8997E+01 H1 323 1.008000 0.423800 1.5735E+01 1.5144E+01 -1.8427E+01 H2 324 1.008000 0.423800 1.5164E+01 1.6533E+01 -1.9068E+01 O6 325 15.999400 -0.847600 3.7888E+00 -4.1016E+00 -1.3400E+01 H1 326 1.008000 0.423800 3.6166E+00 -4.8917E+00 -1.2812E+01 H2 327 1.008000 0.423800 3.0866E+00 -3.4077E+00 -1.3240E+01 O6 328 15.999400 -0.847600 7.8888E+00 -1.8398E+01 -4.5969E+00 H1 329 1.008000 0.423800 7.9026E+00 -1.8617E+01 -5.5726E+00 H2 330 1.008000 0.423800 8.8145E+00 -1.8472E+01 -4.2258E+00 O6 331 15.999400 -0.847600 1.7298E+01 -4.3323E+00 -9.5205E+00 H1 332 1.008000 0.423800 1.7938E+01 -3.7709E+00 -1.0045E+01 H2 333 1.008000 0.423800 1.6438E+01 -3.8360E+00 -9.4034E+00 O6 334 15.999400 -0.847600 -1.6672E+01 -1.6161E+01 -1.0160E+01 H1 335 1.008000 0.423800 -1.7476E+01 -1.5636E+01 -9.8810E+00 H2 336 1.008000 0.423800 -1.6693E+01 -1.7061E+01 -9.7245E+00 O6 337 15.999400 -0.847600 -4.8922E-02 -7.2384E+00 -1.8422E+01 H1 338 1.008000 0.423800 -8.5084E-02 -8.2287E+00 -1.8557E+01 H2 339 1.008000 0.423800 -3.1435E-02 -7.0357E+00 -1.7443E+01 O6 340 15.999400 -0.847600 5.1684E-01 6.9300E-01 1.7317E+01 H1 341 1.008000 0.423800 6.7958E-01 1.5023E+00 1.7881E+01 H2 342 1.008000 0.423800 1.1172E+00 -4.8474E-02 1.7616E+01 O6 343 15.999400 -0.847600 5.9654E-01 -1.9359E+01 -1.1594E+00 H1 344 1.008000 0.423800 1.2416E+00 -1.9529E+01 -1.9045E+00 H2 345 1.008000 0.423800 6.0611E-01 -1.8387E+01 -9.2489E-01 O6 346 15.999400 -0.847600 1.8005E+01 -7.5254E+00 -2.2153E+00 H1 347 1.008000 0.423800 1.8172E+01 -6.5403E+00 -2.2571E+00 H2 348 1.008000 0.423800 1.7022E+01 -7.6933E+00 -2.1382E+00 O6 349 15.999400 -0.847600 3.8518E+00 -1.0743E+01 1.2033E+01 H1 350 1.008000 0.423800 3.6836E+00 -1.0424E+01 1.2965E+01 H2 351 1.008000 0.423800 3.1033E+00 -1.0447E+01 1.1439E+01 O6 352 15.999400 -0.847600 -1.3524E+01 -1.6510E+01 -1.2967E+01 H1 353 1.008000 0.423800 -1.4432E+01 -1.6091E+01 -1.2971E+01 H2 354 1.008000 0.423800 -1.2857E+01 -1.5856E+01 -1.2612E+01 O6 355 15.999400 -0.847600 1.5180E+01 -1.5947E+01 -1.5427E+01 H1 356 1.008000 0.423800 1.5837E+01 -1.6510E+01 -1.5928E+01 H2 357 1.008000 0.423800 1.4393E+01 -1.5752E+01 -1.6013E+01 O6 358 15.999400 -0.847600 -1.2927E+01 -1.4586E+01 8.0969E+00 H1 359 1.008000 0.423800 -1.2338E+01 -1.3830E+01 8.3834E+00 H2 360 1.008000 0.423800 -1.2374E+01 -1.5408E+01 7.9640E+00 O6 361 15.999400 -0.847600 -1.1602E+01 -9.8766E+00 7.6968E+00 H1 362 1.008000 0.423800 -1.0700E+01 -9.9485E+00 7.2716E+00 H2 363 1.008000 0.423800 -1.1547E+01 -1.0176E+01 8.6491E+00 O6 364 15.999400 -0.847600 7.7088E+00 4.5593E+00 -9.3253E+00 H1 365 1.008000 0.423800 8.1510E+00 3.7467E+00 -9.7051E+00 H2 366 1.008000 0.423800 7.2925E+00 4.3314E+00 -8.4451E+00 O6 367 15.999400 -0.847600 6.0090E+00 5.7034E-01 -7.2872E+00 H1 368 1.008000 0.423800 5.0720E+00 8.5438E-01 -7.4906E+00 H2 369 1.008000 0.423800 5.9925E+00 -2.7537E-01 -6.7538E+00 O6 370 15.999400 -0.847600 -1.7703E+01 1.1520E+01 -3.0427E+00 H1 371 1.008000 0.423800 -1.7081E+01 1.2187E+01 -2.6338E+00 H2 372 1.008000 0.423800 -1.8197E+01 1.1037E+01 -2.3190E+00 O6 373 15.999400 -0.847600 1.1464E+01 -1.4166E+01 -1.4141E+01 H1 374 1.008000 0.423800 1.2356E+01 -1.4133E+01 -1.3690E+01 H2 375 1.008000 0.423800 1.1563E+01 -1.3892E+01 -1.5097E+01 O6 376 15.999400 -0.847600 -1.7043E+01 1.7699E+01 -1.8938E+01 H1 377 1.008000 0.423800 -1.6995E+01 1.8473E+01 -1.8306E+01 H2 378 1.008000 0.423800 -1.6808E+01 1.8007E+01 1.9238E+01 O6 379 15.999400 -0.847600 1.9139E+01 -3.1187E+00 -1.8912E+01 H1 380 1.008000 0.423800 -1.9049E+01 -3.3812E+00 -1.9232E+01 H2 381 1.008000 0.423800 1.9051E+01 -2.1229E+00 -1.8938E+01 O6 382 15.999400 -0.847600 7.2663E+00 1.6332E+01 -1.5388E+01 H1 383 1.008000 0.423800 7.6026E+00 1.5546E+01 -1.4870E+01 H2 384 1.008000 0.423800 8.0359E+00 1.6796E+01 -1.5827E+01 O6 385 15.999400 -0.847600 8.3187E+00 -1.4217E+01 1.9294E+01 H1 386 1.008000 0.423800 8.0785E+00 -1.3431E+01 1.8724E+01 H2 387 1.008000 0.423800 7.5128E+00 -1.4795E+01 1.9421E+01 O6 388 15.999400 -0.847600 -1.0632E+01 1.4229E+01 6.1875E+00 H1 389 1.008000 0.423800 -9.9969E+00 1.3660E+01 5.6648E+00 H2 390 1.008000 0.423800 -1.0836E+01 1.5061E+01 5.6718E+00 O6 391 15.999400 -0.847600 -4.6525E+00 -3.4191E+00 -9.8933E+00 H1 392 1.008000 0.423800 -4.5611E+00 -2.5884E+00 -9.3441E+00 H2 393 1.008000 0.423800 -3.8972E+00 -4.0407E+00 -9.6856E+00 O6 394 15.999400 -0.847600 -8.2533E+00 -8.1375E+00 -1.2109E+01 H1 395 1.008000 0.423800 -9.1801E+00 -8.4975E+00 -1.2216E+01 H2 396 1.008000 0.423800 -7.6229E+00 -8.6645E+00 -1.2679E+01 O6 397 15.999400 -0.847600 1.3576E+01 -1.1926E+01 1.4012E+01 H1 398 1.008000 0.423800 1.4418E+01 -1.1387E+01 1.4043E+01 H2 399 1.008000 0.423800 1.2951E+01 -1.1610E+01 1.4726E+01 O6 400 15.999400 -0.847600 1.3233E+01 -2.1005E+00 -4.9832E+00 H1 401 1.008000 0.423800 1.3269E+01 -3.0803E+00 -5.1799E+00 H2 402 1.008000 0.423800 1.2317E+01 -1.8591E+00 -4.6622E+00 O6 403 15.999400 -0.847600 2.2052E+00 9.7991E+00 4.7523E-01 H1 404 1.008000 0.423800 1.3535E+00 1.0013E+01 -3.2567E-03 H2 405 1.008000 0.423800 2.9806E+00 9.9679E+00 -1.3326E-01 O6 406 15.999400 -0.847600 -1.6641E+00 -1.5306E+01 1.6656E+00 H1 407 1.008000 0.423800 -2.0433E+00 -1.4419E+01 1.9317E+00 H2 408 1.008000 0.423800 -6.7880E-01 -1.5311E+01 1.8361E+00 O6 409 15.999400 -0.847600 -1.6400E+01 1.7016E+01 3.1594E+00 H1 410 1.008000 0.423800 -1.5626E+01 1.7556E+01 3.4885E+00 H2 411 1.008000 0.423800 -1.6284E+01 1.6062E+01 3.4375E+00 O6 412 15.999400 -0.847600 -1.8309E+01 -9.7896E+00 -1.3839E+01 H1 413 1.008000 0.423800 -1.7839E+01 -9.0632E+00 -1.3338E+01 H2 414 1.008000 0.423800 -1.7646E+01 -1.0299E+01 -1.4388E+01 O6 415 15.999400 -0.847600 -1.1558E+01 1.1548E-01 -7.3946E+00 H1 416 1.008000 0.423800 -1.1246E+01 9.0975E-01 -6.8732E+00 H2 417 1.008000 0.423800 -1.1825E+01 4.0425E-01 -8.3141E+00 O6 418 15.999400 -0.847600 -1.7182E+01 -7.7662E+00 1.6997E+01 H1 419 1.008000 0.423800 -1.8153E+01 -7.7782E+00 1.7235E+01 H2 420 1.008000 0.423800 -1.6970E+01 -6.9233E+00 1.6503E+01 O6 421 15.999400 -0.847600 3.2797E+00 1.8509E+01 -1.2559E+01 H1 422 1.008000 0.423800 3.9938E+00 1.8044E+01 -1.3083E+01 H2 423 1.008000 0.423800 2.3827E+00 1.8256E+01 -1.2922E+01 O6 424 15.999400 -0.847600 7.5302E+00 -1.3976E+01 -3.7044E+00 H1 425 1.008000 0.423800 7.3015E+00 -1.3733E+01 -2.7616E+00 H2 426 1.008000 0.423800 8.2028E+00 -1.3328E+01 -4.0616E+00 O6 427 15.999400 -0.847600 -1.8833E+01 -1.9304E+01 -9.8730E+00 H1 428 1.008000 0.423800 -1.8793E+01 -1.9016E+01 -1.0830E+01 H2 429 1.008000 0.423800 1.9311E+01 -1.9329E+01 -9.5725E+00 O6 430 15.999400 -0.847600 4.2516E+00 -3.9899E-02 -4.1512E+00 H1 431 1.008000 0.423800 4.0857E+00 9.4569E-01 -4.1848E+00 H2 432 1.008000 0.423800 4.3985E+00 -3.2095E-01 -3.2028E+00 O6 433 15.999400 -0.847600 -1.9265E+01 5.9520E+00 -9.9976E+00 H1 434 1.008000 0.423800 -1.8979E+01 5.6940E+00 -1.0921E+01 H2 435 1.008000 0.423800 -1.9338E+01 5.1320E+00 -9.4299E+00 O6 436 15.999400 -0.847600 5.8322E+00 -9.6380E+00 7.1872E+00 H1 437 1.008000 0.423800 6.1809E+00 -8.7602E+00 7.5156E+00 H2 438 1.008000 0.423800 6.0610E+00 -9.7467E+00 6.2198E+00 O6 439 15.999400 -0.847600 1.0090E+01 -3.2105E+00 1.0110E+01 H1 440 1.008000 0.423800 1.0357E+01 -3.5077E+00 1.1027E+01 H2 441 1.008000 0.423800 9.2938E+00 -3.7350E+00 9.8086E+00 O6 442 15.999400 -0.847600 8.9559E+00 1.2922E+01 1.8073E+01 H1 443 1.008000 0.423800 8.9178E+00 1.3635E+01 1.7372E+01 H2 444 1.008000 0.423800 9.8927E+00 1.2581E+01 1.8151E+01 O6 445 15.999400 -0.847600 -1.1151E+01 5.9018E-01 3.9048E+00 H1 446 1.008000 0.423800 -1.0907E+01 -1.3596E-01 4.5478E+00 H2 447 1.008000 0.423800 -1.0750E+01 3.9189E-01 3.0106E+00 O6 448 15.999400 -0.847600 1.7738E+01 1.8401E+01 4.3389E+00 H1 449 1.008000 0.423800 1.7883E+01 1.8605E+01 5.3071E+00 H2 450 1.008000 0.423800 1.8615E+01 1.8419E+01 3.8594E+00 O6 451 15.999400 -0.847600 -9.2781E-01 -1.2829E+01 1.8227E+01 H1 452 1.008000 0.423800 -4.3964E-01 -1.3156E+01 1.7418E+01 H2 453 1.008000 0.423800 -4.9067E-01 -1.3194E+01 1.9050E+01 O6 454 15.999400 -0.847600 -2.9845E+00 1.0391E+01 -1.4194E+01 H1 455 1.008000 0.423800 -2.2065E+00 1.0818E+01 -1.3733E+01 H2 456 1.008000 0.423800 -3.5100E+00 1.1092E+01 -1.4677E+01 O6 457 15.999400 -0.847600 -3.3804E+00 -5.1086E+00 -1.4040E+01 H1 458 1.008000 0.423800 -3.9636E+00 -5.7441E+00 -1.4546E+01 H2 459 1.008000 0.423800 -3.1992E+00 -5.4766E+00 -1.3128E+01 O6 460 15.999400 -0.847600 -8.1171E+00 -1.5658E+01 1.5501E+00 H1 461 1.008000 0.423800 -7.3065E+00 -1.5863E+01 2.0989E+00 H2 462 1.008000 0.423800 -8.4850E+00 -1.6507E+01 1.1700E+00 O6 463 15.999400 -0.847600 -3.3372E+00 -1.6561E+01 1.7288E+01 H1 464 1.008000 0.423800 -3.9237E+00 -1.6017E+01 1.7888E+01 H2 465 1.008000 0.423800 -2.3964E+00 -1.6532E+01 1.7626E+01 O6 466 15.999400 -0.847600 1.3888E+01 -9.7170E+00 5.6724E+00 H1 467 1.008000 0.423800 1.4551E+01 -9.0954E+00 6.0898E+00 H2 468 1.008000 0.423800 1.3215E+01 -9.1882E+00 5.1564E+00 O6 469 15.999400 -0.847600 -1.7453E+01 1.7736E+01 7.8416E-01 H1 470 1.008000 0.423800 -1.6965E+01 1.8581E+01 5.6346E-01 H2 471 1.008000 0.423800 -1.7165E+01 1.7411E+01 1.6850E+00 O6 472 15.999400 -0.847600 -1.0800E+01 -6.8583E+00 -1.9604E+00 H1 473 1.008000 0.423800 -1.0702E+01 -7.7348E+00 -1.4890E+00 H2 474 1.008000 0.423800 -1.1506E+01 -6.3134E+00 -1.5076E+00 O6 475 15.999400 -0.847600 6.1188E+00 1.4459E+01 -8.2567E+00 H1 476 1.008000 0.423800 7.0510E+00 1.4109E+01 -8.3492E+00 H2 477 1.008000 0.423800 5.5247E+00 1.3735E+01 -7.9047E+00 O6 478 15.999400 -0.847600 1.2344E+01 -8.8073E+00 1.2179E+01 H1 479 1.008000 0.423800 1.1537E+01 -8.2402E+00 1.2014E+01 H2 480 1.008000 0.423800 1.2850E+01 -8.4479E+00 1.2963E+01 O6 481 15.999400 -0.847600 -1.2342E+01 1.2387E+01 -5.1383E-01 H1 482 1.008000 0.423800 -1.2344E+01 1.1925E+01 -1.4007E+00 H2 483 1.008000 0.423800 -1.2252E+01 1.1708E+01 2.1518E-01 O6 484 15.999400 -0.847600 1.0676E+01 2.2580E+00 -1.4491E+01 H1 485 1.008000 0.423800 9.9898E+00 2.9854E+00 -1.4469E+01 H2 486 1.008000 0.423800 1.1336E+01 2.3997E+00 -1.3753E+01 O6 487 15.999400 -0.847600 -1.7362E-01 -8.5421E-01 5.1881E+00 H1 488 1.008000 0.423800 2.4603E-01 -1.3496E+00 5.9487E+00 H2 489 1.008000 0.423800 -6.1726E-01 -1.5043E+00 4.5712E+00 O6 490 15.999400 -0.847600 -1.5572E+01 -1.5379E+01 -2.0971E+00 H1 491 1.008000 0.423800 -1.5232E+01 -1.6215E+01 -1.6672E+00 H2 492 1.008000 0.423800 -1.6373E+01 -1.5593E+01 -2.6558E+00 O6 493 15.999400 -0.847600 -1.4296E+01 -8.3577E+00 -1.2551E+01 H1 494 1.008000 0.423800 -1.3899E+01 -9.2757E+00 -1.2569E+01 H2 495 1.008000 0.423800 -1.3654E+01 -7.7094E+00 -1.2960E+01 O6 496 15.999400 -0.847600 -1.3559E+01 -8.4988E+00 -4.3680E-01 H1 497 1.008000 0.423800 -1.3947E+01 -8.5092E+00 -1.3585E+00 H2 498 1.008000 0.423800 -1.3961E+01 -7.7469E+00 8.5545E-02 O6 499 15.999400 -0.847600 -1.1946E+01 -1.7002E+01 -9.8628E+00 H1 500 1.008000 0.423800 -1.1598E+01 -1.6564E+01 -9.0336E+00 H2 501 1.008000 0.423800 -1.2168E+01 -1.6301E+01 -1.0541E+01 O6 502 15.999400 -0.847600 -1.6315E+01 1.0328E+01 2.9699E-01 H1 503 1.008000 0.423800 -1.7198E+01 1.0308E+01 -1.7318E-01 H2 504 1.008000 0.423800 -1.5910E+01 1.1237E+01 2.0699E-01 O6 505 15.999400 -0.847600 -9.4050E+00 -3.8572E+00 1.2569E+01 H1 506 1.008000 0.423800 -9.8619E+00 -4.1127E+00 1.3421E+01 H2 507 1.008000 0.423800 -1.0085E+01 -3.5378E+00 1.1909E+01 O6 508 15.999400 -0.847600 1.8078E+01 -1.6423E+00 4.2352E+00 H1 509 1.008000 0.423800 1.8017E+01 -6.7608E-01 4.4858E+00 H2 510 1.008000 0.423800 1.8810E+01 -2.0772E+00 4.7597E+00 O6 511 15.999400 -0.847600 -2.7256E+00 -9.1277E+00 1.5162E+01 H1 512 1.008000 0.423800 -3.0735E+00 -9.5008E+00 1.6022E+01 H2 513 1.008000 0.423800 -3.1348E+00 -8.2300E+00 1.4999E+01 O6 514 15.999400 -0.847600 1.5704E+01 1.3896E+01 -8.4750E-01 H1 515 1.008000 0.423800 1.6512E+01 1.3531E+01 -1.3098E+00 H2 516 1.008000 0.423800 1.5208E+01 1.3149E+01 -4.0473E-01 O6 517 15.999400 -0.847600 6.9777E+00 -1.7523E+01 8.4035E+00 H1 518 1.008000 0.423800 7.2111E+00 -1.8215E+01 7.7204E+00 H2 519 1.008000 0.423800 7.1393E+00 -1.7891E+01 9.3192E+00 O6 520 15.999400 -0.847600 3.5922E+00 1.7756E+01 -9.9616E+00 H1 521 1.008000 0.423800 2.7588E+00 1.7742E+01 -9.4090E+00 H2 522 1.008000 0.423800 3.3548E+00 1.7924E+01 -1.0918E+01 O6 523 15.999400 -0.847600 -1.2245E+01 1.8280E+01 1.5513E+01 H1 524 1.008000 0.423800 -1.1849E+01 1.8765E+01 1.6293E+01 H2 525 1.008000 0.423800 -1.2051E+01 1.7303E+01 1.5595E+01 O6 526 15.999400 -0.847600 3.3534E+00 -2.8221E+00 -1.9404E+01 H1 527 1.008000 0.423800 4.2840E+00 -3.1151E+00 1.9474E+01 H2 528 1.008000 0.423800 3.0162E+00 -3.3435E+00 -1.8620E+01 O6 529 15.999400 -0.847600 -1.4190E+01 1.6665E+01 3.9684E-01 H1 530 1.008000 0.423800 -1.4913E+01 1.7063E+01 9.6127E-01 H2 531 1.008000 0.423800 -1.4405E+01 1.6807E+01 -5.6935E-01 O6 532 15.999400 -0.847600 2.7718E+00 5.4137E+00 -5.1368E+00 H1 533 1.008000 0.423800 3.4518E+00 5.9965E+00 -5.5818E+00 H2 534 1.008000 0.423800 2.8004E+00 4.4997E+00 -5.5414E+00 O6 535 15.999400 -0.847600 -1.4530E+01 6.2693E+00 -1.8029E+01 H1 536 1.008000 0.423800 -1.3774E+01 5.6398E+00 -1.8209E+01 H2 537 1.008000 0.423800 -1.4224E+01 7.2094E+00 -1.8178E+01 O6 538 15.999400 -0.847600 5.3553E+00 -1.0466E+00 4.1925E+00 H1 539 1.008000 0.423800 4.7689E+00 -1.6589E+00 4.7227E+00 H2 540 1.008000 0.423800 5.2932E+00 -1.2054E-01 4.5647E+00 O6 541 15.999400 -0.847600 1.1822E+01 -2.1175E+00 1.2419E+01 H1 542 1.008000 0.423800 1.1979E+01 -1.3201E+00 1.3001E+01 H2 543 1.008000 0.423800 1.2355E+01 -2.0254E+00 1.1577E+01 O6 544 15.999400 -0.847600 -1.8607E+01 -1.4282E+01 4.8051E+00 H1 545 1.008000 0.423800 -1.8819E+01 -1.3316E+01 4.6577E+00 H2 546 1.008000 0.423800 -1.7911E+01 -1.4365E+01 5.5189E+00 O6 547 15.999400 -0.847600 1.7079E+01 8.7013E+00 -6.9231E+00 H1 548 1.008000 0.423800 1.6593E+01 7.9890E+00 -6.4165E+00 H2 549 1.008000 0.423800 1.7010E+01 8.5191E+00 -7.9038E+00 O6 550 15.999400 -0.847600 -1.9381E+00 9.3913E-01 -1.5474E+00 H1 551 1.008000 0.423800 -2.7944E+00 1.2828E+00 -1.1618E+00 H2 552 1.008000 0.423800 -1.9367E+00 1.0831E+00 -2.5369E+00 O6 553 15.999400 -0.847600 1.5324E+01 -1.5042E+01 -4.0467E+00 H1 554 1.008000 0.423800 1.5448E+01 -1.4574E+01 -4.9216E+00 H2 555 1.008000 0.423800 1.4416E+01 -1.4835E+01 -3.6837E+00 O6 556 15.999400 -0.847600 1.0182E+01 7.5598E-01 7.9648E+00 H1 557 1.008000 0.423800 1.0354E+01 -2.2622E-01 8.0395E+00 H2 558 1.008000 0.423800 9.5551E+00 1.0404E+00 8.6902E+00 O6 559 15.999400 -0.847600 -2.9661E+00 -1.4648E+01 7.2905E+00 H1 560 1.008000 0.423800 -2.0350E+00 -1.4988E+01 7.1587E+00 H2 561 1.008000 0.423800 -3.4846E+00 -1.5301E+01 7.8423E+00 O6 562 15.999400 -0.847600 -8.4590E+00 2.4812E+00 9.3699E+00 H1 563 1.008000 0.423800 -7.5111E+00 2.1728E+00 9.2892E+00 H2 564 1.008000 0.423800 -8.7551E+00 2.4028E+00 1.0322E+01 O6 565 15.999400 -0.847600 -1.7444E+01 3.2436E+00 1.7799E+01 H1 566 1.008000 0.423800 -1.6718E+01 3.6809E+00 1.8331E+01 H2 567 1.008000 0.423800 -1.8000E+01 3.9454E+00 1.7354E+01 O6 568 15.999400 -0.847600 2.2467E+00 -8.1890E+00 -1.6179E+01 H1 569 1.008000 0.423800 2.6912E+00 -8.2846E+00 -1.7069E+01 H2 570 1.008000 0.423800 2.9373E+00 -8.2234E+00 -1.5456E+01 O6 571 15.999400 -0.847600 -1.8492E+01 1.7122E+01 5.1972E+00 H1 572 1.008000 0.423800 -1.7958E+01 1.6637E+01 5.8895E+00 H2 573 1.008000 0.423800 -1.7880E+01 1.7670E+01 4.6272E+00 O6 574 15.999400 -0.847600 3.7748E+00 7.9662E+00 1.2231E+01 H1 575 1.008000 0.423800 3.0863E+00 7.7354E+00 1.1543E+01 H2 576 1.008000 0.423800 3.5374E+00 7.5312E+00 1.3099E+01 O6 577 15.999400 -0.847600 2.9652E+00 -5.4403E-01 1.4458E+01 H1 578 1.008000 0.423800 3.3946E+00 -1.3230E+00 1.4915E+01 H2 579 1.008000 0.423800 2.0904E+00 -8.2847E-01 1.4065E+01 O6 580 15.999400 -0.847600 -1.1798E+01 -1.5988E+01 1.4437E+01 H1 581 1.008000 0.423800 -1.1071E+01 -1.5523E+01 1.4942E+01 H2 582 1.008000 0.423800 -1.1626E+01 -1.6973E+01 1.4437E+01 O6 583 15.999400 -0.847600 1.5629E+01 -7.9837E+00 6.7028E+00 H1 584 1.008000 0.423800 1.5488E+01 -7.9854E+00 7.6929E+00 H2 585 1.008000 0.423800 1.5461E+01 -7.0654E+00 6.3440E+00 O6 586 15.999400 -0.847600 -1.1558E+01 -1.7675E+01 -3.6884E+00 H1 587 1.008000 0.423800 -1.2141E+01 -1.7143E+01 -3.0734E+00 H2 588 1.008000 0.423800 -1.0614E+01 -1.7352E+01 -3.6144E+00 O6 589 15.999400 -0.847600 1.6839E+01 1.4438E+00 -1.4642E+01 H1 590 1.008000 0.423800 1.6061E+01 1.9558E+00 -1.5004E+01 H2 591 1.008000 0.423800 1.6701E+01 4.6704E-01 -1.4806E+01 O6 592 15.999400 -0.847600 -9.7615E+00 8.6482E+00 1.3867E+01 H1 593 1.008000 0.423800 -8.7806E+00 8.7330E+00 1.3692E+01 H2 594 1.008000 0.423800 -1.0015E+01 9.2339E+00 1.4637E+01 O6 595 15.999400 -0.847600 2.9866E+00 3.4646E+00 1.9175E+01 H1 596 1.008000 0.423800 3.6315E+00 3.5795E+00 1.8419E+01 H2 597 1.008000 0.423800 2.0850E+00 3.7957E+00 1.8897E+01 O6 598 15.999400 -0.847600 3.2321E+00 -1.7978E+01 -7.2748E+00 H1 599 1.008000 0.423800 2.9310E+00 -1.8811E+01 -7.7387E+00 H2 600 1.008000 0.423800 2.4382E+00 -1.7500E+01 -6.8984E+00 O6 601 15.999400 -0.847600 -1.1015E+01 1.2958E+01 2.2930E+00 H1 602 1.008000 0.423800 -1.1557E+01 1.2119E+01 2.3411E+00 H2 603 1.008000 0.423800 -1.1590E+01 1.3708E+01 1.9678E+00 O6 604 15.999400 -0.847600 1.1945E+01 3.4063E+00 -8.9251E+00 H1 605 1.008000 0.423800 1.2330E+01 4.2114E+00 -8.4741E+00 H2 606 1.008000 0.423800 1.2506E+01 2.6059E+00 -8.7149E+00 O6 607 15.999400 -0.847600 1.5036E+01 1.5070E+01 1.4868E+01 H1 608 1.008000 0.423800 1.4879E+01 1.4520E+01 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5.8917E+00 1.8931E+01 H1 659 1.008000 0.423800 8.7846E+00 6.4874E+00 1.9348E+01 H2 660 1.008000 0.423800 1.0230E+01 6.4461E+00 1.8588E+01 O6 661 15.999400 -0.847600 -8.4420E-01 -1.4490E+01 -6.5799E+00 H1 662 1.008000 0.423800 -5.0541E-01 -1.4552E+01 -5.6411E+00 H2 663 1.008000 0.423800 -1.5735E+00 -1.3807E+01 -6.6260E+00 O6 664 15.999400 -0.847600 1.6962E+01 1.6827E+01 -1.0985E+01 H1 665 1.008000 0.423800 1.7072E+01 1.6341E+01 -1.0118E+01 H2 666 1.008000 0.423800 1.6446E+01 1.7670E+01 -1.0832E+01 O6 667 15.999400 -0.847600 1.5582E+01 -1.8204E+01 1.5380E+01 H1 668 1.008000 0.423800 1.5953E+01 -1.7974E+01 1.6280E+01 H2 669 1.008000 0.423800 1.6062E+01 -1.9001E+01 1.5015E+01 O6 670 15.999400 -0.847600 1.8519E+01 -1.6247E+01 -1.1335E+01 H1 671 1.008000 0.423800 1.8517E+01 -1.6527E+01 -1.0375E+01 H2 672 1.008000 0.423800 1.7907E+01 -1.6840E+01 -1.1857E+01 O6 673 15.999400 -0.847600 -6.5179E+00 1.2352E+01 1.0708E+01 H1 674 1.008000 0.423800 -7.4933E+00 1.2286E+01 1.0919E+01 H2 675 1.008000 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-4.8608E+00 -1.8888E+01 O6 775 15.999400 -0.847600 -1.5819E+01 1.2960E+01 1.6665E+01 H1 776 1.008000 0.423800 -1.6626E+01 1.2486E+01 1.6312E+01 H2 777 1.008000 0.423800 -1.6106E+01 1.3677E+01 1.7301E+01 O6 778 15.999400 -0.847600 -1.2204E+01 1.3309E+01 -4.6897E+00 H1 779 1.008000 0.423800 -1.1347E+01 1.3449E+01 -5.1862E+00 H2 780 1.008000 0.423800 -1.2119E+01 1.2507E+01 -4.0985E+00 O6 781 15.999400 -0.847600 2.9411E+00 -8.3157E+00 5.4901E+00 H1 782 1.008000 0.423800 2.8919E+00 -8.5627E+00 6.4579E+00 H2 783 1.008000 0.423800 3.2653E+00 -9.1005E+00 4.9620E+00 O6 784 15.999400 -0.847600 1.2125E+01 1.2735E+01 -7.9114E+00 H1 785 1.008000 0.423800 1.2445E+01 1.2267E+01 -7.0880E+00 H2 786 1.008000 0.423800 1.2220E+01 1.3723E+01 -7.7907E+00 O6 787 15.999400 -0.847600 5.0324E+00 9.8835E+00 -6.4141E+00 H1 788 1.008000 0.423800 5.6495E+00 1.0507E+01 -5.9347E+00 H2 789 1.008000 0.423800 4.1610E+00 9.8359E+00 -5.9259E+00 O6 790 15.999400 -0.847600 -2.3967E+00 1.3405E+01 -9.3786E+00 H1 791 1.008000 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-5.1088E+00 -1.9044E+01 1.4439E+01 H2 825 1.008000 0.423800 -6.4389E+00 1.9121E+01 1.4274E+01 O6 826 15.999400 -0.847600 -3.1432E+00 -4.7657E+00 9.4917E-03 H1 827 1.008000 0.423800 -2.2421E+00 -4.3412E+00 9.7945E-02 H2 828 1.008000 0.423800 -3.8109E+00 -4.0754E+00 -2.6923E-01 O6 829 15.999400 -0.847600 -1.6235E+01 9.1244E+00 -1.8805E+01 H1 830 1.008000 0.423800 -1.5367E+01 8.8885E+00 -1.9241E+01 H2 831 1.008000 0.423800 -1.6078E+01 9.3374E+00 -1.7841E+01 O6 832 15.999400 -0.847600 1.4131E+01 -5.9156E+00 -2.8699E+00 H1 833 1.008000 0.423800 1.3148E+01 -5.9297E+00 -2.6867E+00 H2 834 1.008000 0.423800 1.4573E+01 -6.6648E+00 -2.3763E+00 O6 835 15.999400 -0.847600 1.8435E+01 -6.0373E-01 1.3165E+01 H1 836 1.008000 0.423800 1.8256E+01 -1.4731E+00 1.2704E+01 H2 837 1.008000 0.423800 1.9342E+01 -6.2977E-01 1.3586E+01 O6 838 15.999400 -0.847600 8.0632E-01 1.0778E+01 1.0500E+01 H1 839 1.008000 0.423800 8.5643E-01 1.1366E+01 1.1307E+01 H2 840 1.008000 0.423800 1.5272E+00 1.1035E+01 9.8557E+00 O6 841 15.999400 -0.847600 -1.6655E+01 9.5302E+00 -1.3318E+01 H1 842 1.008000 0.423800 -1.6067E+01 1.0175E+01 -1.2829E+01 H2 843 1.008000 0.423800 -1.6505E+01 8.6073E+00 -1.2963E+01 O6 844 15.999400 -0.847600 1.0296E+00 -1.8082E+01 9.3994E+00 H1 845 1.008000 0.423800 1.8695E+00 -1.7555E+01 9.5275E+00 H2 846 1.008000 0.423800 1.1917E+00 -1.8810E+01 8.7338E+00 O6 847 15.999400 -0.847600 6.9536E+00 -9.0063E+00 1.7972E+01 H1 848 1.008000 0.423800 7.9323E+00 -8.8159E+00 1.8050E+01 H2 849 1.008000 0.423800 6.5686E+00 -9.1501E+00 1.8884E+01 O6 850 15.999400 -0.847600 -3.5769E+00 1.7342E+01 6.4212E+00 H1 851 1.008000 0.423800 -2.7124E+00 1.7170E+01 5.9489E+00 H2 852 1.008000 0.423800 -4.0220E+00 1.8143E+01 6.0201E+00 O6 853 15.999400 -0.847600 1.9140E+01 -5.0804E+00 1.0308E+01 H1 854 1.008000 0.423800 -1.9245E+01 -4.4794E+00 1.0671E+01 H2 855 1.008000 0.423800 1.8913E+01 -4.8013E+00 9.3755E+00 O6 856 15.999400 -0.847600 9.2620E+00 -9.8874E+00 -1.2229E+01 H1 857 1.008000 0.423800 9.6239E+00 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-1.8440E+01 1.3965E+01 H2 891 1.008000 0.423800 9.6076E+00 -1.8823E+01 1.2429E+01 O6 892 15.999400 -0.847600 5.2216E+00 1.5986E+01 1.7538E+01 H1 893 1.008000 0.423800 5.0967E+00 1.5116E+01 1.8015E+01 H2 894 1.008000 0.423800 5.6428E+00 1.5820E+01 1.6646E+01 O6 895 15.999400 -0.847600 1.7812E+01 -1.4338E+01 2.7407E+00 H1 896 1.008000 0.423800 1.8236E+01 -1.5199E+01 2.4619E+00 H2 897 1.008000 0.423800 1.7287E+01 -1.4481E+01 3.5796E+00 O6 898 15.999400 -0.847600 3.3939E-01 -4.7210E+00 6.2309E+00 H1 899 1.008000 0.423800 4.9471E-01 -3.7393E+00 6.1211E+00 H2 900 1.008000 0.423800 -4.1300E-01 -5.0078E+00 5.6379E+00 O6 901 15.999400 -0.847600 -1.1911E+01 9.8039E+00 -1.8610E+01 H1 902 1.008000 0.423800 -1.2627E+01 9.7921E+00 -1.9308E+01 H2 903 1.008000 0.423800 -1.1347E+01 1.0622E+01 -1.8725E+01 O6 904 15.999400 -0.847600 -7.5127E+00 -1.7470E+01 -9.1771E+00 H1 905 1.008000 0.423800 -7.8193E+00 -1.7515E+01 -8.2263E+00 H2 906 1.008000 0.423800 -8.2441E+00 -1.7791E+01 -9.7787E+00 O6 907 15.999400 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-1.8527E+01 H2 924 1.008000 0.423800 -3.2358E-01 1.5302E+01 -1.9010E+01 O6 925 15.999400 -0.847600 5.4270E+00 7.5751E+00 2.9255E+00 H1 926 1.008000 0.423800 6.1309E+00 7.1228E+00 2.3779E+00 H2 927 1.008000 0.423800 5.2249E+00 7.0203E+00 3.7326E+00 O6 928 15.999400 -0.847600 4.3987E+00 5.6644E+00 4.7701E+00 H1 929 1.008000 0.423800 4.8760E+00 5.4414E+00 5.6201E+00 H2 930 1.008000 0.423800 3.4314E+00 5.8278E+00 4.9640E+00 O6 931 15.999400 -0.847600 -1.6543E+01 5.4164E+00 1.3390E+01 H1 932 1.008000 0.423800 -1.6320E+01 5.7049E+00 1.4321E+01 H2 933 1.008000 0.423800 -1.7440E+01 4.9755E+00 1.3384E+01 O6 934 15.999400 -0.847600 1.7487E+00 8.1824E+00 1.0371E+01 H1 935 1.008000 0.423800 1.3273E+00 9.0752E+00 1.0530E+01 H2 936 1.008000 0.423800 2.3362E+00 8.2301E+00 9.5637E+00 O6 937 15.999400 -0.847600 3.0477E+00 -9.9018E+00 -1.0013E+01 H1 938 1.008000 0.423800 3.2654E+00 -1.0770E+01 -9.5663E+00 H2 939 1.008000 0.423800 3.5903E+00 -9.1698E+00 -9.6011E+00 O6 940 15.999400 -0.847600 5.7561E-01 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0.423800 6.8723E+00 -9.1596E+00 -7.1815E+00 O6 958 15.999400 -0.847600 -4.2589E+00 -4.0040E+00 -3.8570E+00 H1 959 1.008000 0.423800 -3.4248E+00 -4.5546E+00 -3.8913E+00 H2 960 1.008000 0.423800 -4.0923E+00 -3.1801E+00 -3.3155E+00 O6 961 15.999400 -0.847600 7.3637E+00 -1.6154E+01 -2.0228E+00 H1 962 1.008000 0.423800 8.1632E+00 -1.5901E+01 -1.4778E+00 H2 963 1.008000 0.423800 7.2862E+00 -1.5537E+01 -2.8062E+00 O6 964 15.999400 -0.847600 1.7171E+01 4.0356E+00 1.2935E+01 H1 965 1.008000 0.423800 1.7319E+01 4.1145E+00 1.1949E+01 H2 966 1.008000 0.423800 1.8051E+01 4.0701E+00 1.3408E+01 O6 967 15.999400 -0.847600 -1.0912E+01 -7.5017E+00 1.5894E+01 H1 968 1.008000 0.423800 -1.1496E+01 -7.6584E+00 1.5097E+01 H2 969 1.008000 0.423800 -1.0804E+01 -8.3564E+00 1.6401E+01 O6 970 15.999400 -0.847600 1.6117E+01 9.3939E+00 -3.8659E+00 H1 971 1.008000 0.423800 1.6113E+01 9.4475E+00 -2.8673E+00 H2 972 1.008000 0.423800 1.7058E+01 9.4581E+00 -4.1992E+00 O6 973 15.999400 -0.847600 -8.0236E+00 -1.4187E+01 1.5766E+01 H1 974 1.008000 0.423800 -7.0614E+00 -1.3915E+01 1.5786E+01 H2 975 1.008000 0.423800 -8.4840E+00 -1.3729E+01 1.5006E+01 O6 976 15.999400 -0.847600 2.1771E+00 -1.1805E+01 -1.1883E+01 H1 977 1.008000 0.423800 2.6409E+00 -1.1144E+01 -1.1293E+01 H2 978 1.008000 0.423800 2.6212E+00 -1.2697E+01 -1.1798E+01 O6 979 15.999400 -0.847600 1.8048E+00 -4.3031E+00 -1.0283E+01 H1 980 1.008000 0.423800 1.1087E+00 -4.2427E+00 -1.0999E+01 H2 981 1.008000 0.423800 2.4081E+00 -3.5073E+00 -1.0337E+01 O6 982 15.999400 -0.847600 -1.0682E+01 -1.5663E+00 1.4761E+01 H1 983 1.008000 0.423800 -1.0878E+01 -2.5376E+00 1.4896E+01 H2 984 1.008000 0.423800 -9.8999E+00 -1.3023E+00 1.5325E+01 O6 985 15.999400 -0.847600 -4.4828E-01 -9.2554E+00 8.0129E+00 H1 986 1.008000 0.423800 -4.3687E-01 -9.4380E+00 8.9960E+00 H2 987 1.008000 0.423800 4.7036E-01 -9.3841E+00 7.6394E+00 O6 988 15.999400 -0.847600 9.8697E+00 1.0282E+01 8.5925E+00 H1 989 1.008000 0.423800 9.4416E+00 9.4143E+00 8.3402E+00 H2 990 1.008000 0.423800 9.4245E+00 1.0648E+01 9.4095E+00 O6 991 15.999400 -0.847600 -1.1265E+01 -3.4483E+00 -1.3801E+00 H1 992 1.008000 0.423800 -1.0345E+01 -3.3063E+00 -1.7443E+00 H2 993 1.008000 0.423800 -1.1878E+01 -2.7442E+00 -1.7390E+00 O6 994 15.999400 -0.847600 1.7647E+01 5.8263E+00 -2.0364E+00 H1 995 1.008000 0.423800 1.8404E+01 5.9726E+00 -2.6741E+00 H2 996 1.008000 0.423800 1.6816E+01 5.6134E+00 -2.5490E+00 O6 997 15.999400 -0.847600 1.2436E+01 -1.6183E+01 6.2981E+00 H1 998 1.008000 0.423800 1.2654E+01 -1.5795E+01 7.1934E+00 H2 999 1.008000 0.423800 1.1484E+01 -1.5981E+01 6.0697E+00 O6 1000 15.999400 -0.847600 6.5760E+00 -9.5263E+00 1.5437E+01 H1 1001 1.008000 0.423800 6.4850E+00 -9.3436E+00 1.6416E+01 H2 1002 1.008000 0.423800 6.7485E+00 -1.0501E+01 1.5294E+01 O6 1003 15.999400 -0.847600 -7.0040E+00 1.6552E+01 -1.8463E+00 H1 1004 1.008000 0.423800 -7.3511E+00 1.6531E+01 -9.0868E-01 H2 1005 1.008000 0.423800 -7.0649E+00 1.7485E+01 -2.2029E+00 O6 1006 15.999400 -0.847600 1.1646E+00 -1.9805E+00 7.2875E+00 H1 1007 1.008000 0.423800 2.0756E+00 -1.6067E+00 7.4618E+00 H2 1008 1.008000 0.423800 5.7617E-01 -1.8061E+00 8.0770E+00 O6 1009 15.999400 -0.847600 2.4460E+00 1.3386E+01 -7.0057E+00 H1 1010 1.008000 0.423800 2.7597E+00 1.4267E+01 -6.6525E+00 H2 1011 1.008000 0.423800 3.2307E+00 1.2860E+01 -7.3340E+00 O6 1012 15.999400 -0.847600 1.0160E+01 1.3075E-01 3.7658E+00 H1 1013 1.008000 0.423800 9.3505E+00 5.2010E-01 4.2043E+00 H2 1014 1.008000 0.423800 1.0951E+01 2.4222E-01 4.3676E+00 O6 1015 15.999400 -0.847600 -8.4434E-01 1.7542E+01 -1.1277E+01 H1 1016 1.008000 0.423800 -2.2557E-01 1.6793E+01 -1.1514E+01 H2 1017 1.008000 0.423800 -1.2836E+00 1.7347E+01 -1.0400E+01 O6 1018 15.999400 -0.847600 1.5079E+01 -8.9032E+00 -8.4041E+00 H1 1019 1.008000 0.423800 1.5115E+01 -9.1599E+00 -7.4383E+00 H2 1020 1.008000 0.423800 1.4138E+01 -8.9784E+00 -8.7341E+00 O6 1021 15.999400 -0.847600 1.6086E+01 1.2921E+01 -9.0214E+00 H1 1022 1.008000 0.423800 1.6940E+01 1.2619E+01 -8.5979E+00 H2 1023 1.008000 0.423800 1.6184E+01 1.2905E+01 -1.0016E+01 O6 1024 15.999400 -0.847600 -1.4100E+01 -8.3990E+00 -9.6432E+00 H1 1025 1.008000 0.423800 -1.4514E+01 -8.3971E+00 -1.0553E+01 H2 1026 1.008000 0.423800 -1.3305E+01 -7.7921E+00 -9.6380E+00 O6 1027 15.999400 -0.847600 1.4679E+01 2.5837E+00 -1.5488E+01 H1 1028 1.008000 0.423800 1.4313E+01 3.4517E+00 -1.5152E+01 H2 1029 1.008000 0.423800 1.3931E+01 2.0155E+00 -1.5829E+01 O6 1030 15.999400 -0.847600 -1.0032E+01 1.2774E+01 1.3616E+01 H1 1031 1.008000 0.423800 -1.0299E+01 1.2938E+01 1.4566E+01 H2 1032 1.008000 0.423800 -1.0604E+01 1.3328E+01 1.3010E+01 O6 1033 15.999400 -0.847600 -6.9906E+00 9.7685E+00 -7.7967E-01 H1 1034 1.008000 0.423800 -7.2502E+00 1.0703E+01 -1.0235E+00 H2 1035 1.008000 0.423800 -7.5237E+00 9.4703E+00 1.2039E-02 O6 1036 15.999400 -0.847600 1.8373E+01 7.7869E+00 -1.7172E+01 H1 1037 1.008000 0.423800 1.8350E+01 7.0436E+00 -1.7841E+01 H2 1038 1.008000 0.423800 1.9319E+01 7.9541E+00 -1.6892E+01 O6 1039 15.999400 -0.847600 -1.5253E+01 1.5578E+01 -1.7890E+01 H1 1040 1.008000 0.423800 -1.5699E+01 1.4972E+01 -1.7231E+01 H2 1041 1.008000 0.423800 -1.5935E+01 1.6180E+01 -1.8304E+01 O6 1042 15.999400 -0.847600 -6.8769E+00 1.8942E-01 -6.9162E-01 H1 1043 1.008000 0.423800 -7.4853E+00 8.1382E-01 -2.0181E-01 H2 1044 1.008000 0.423800 -6.7620E+00 -6.4960E-01 -1.5981E-01 O6 1045 15.999400 -0.847600 1.7472E+01 7.1872E+00 -9.4471E+00 H1 1046 1.008000 0.423800 1.8419E+01 6.8666E+00 -9.4462E+00 H2 1047 1.008000 0.423800 1.6865E+01 6.4344E+00 -9.1921E+00 O6 1048 15.999400 -0.847600 -5.8266E+00 1.9160E+01 -2.6258E+00 H1 1049 1.008000 0.423800 -6.1341E+00 1.9085E+01 -3.5744E+00 H2 1050 1.008000 0.423800 -4.9209E+00 1.8746E+01 -2.5353E+00 O6 1051 15.999400 -0.847600 9.9861E+00 8.0773E-01 -1.2006E+01 H1 1052 1.008000 0.423800 9.8416E+00 1.6412E+00 -1.1473E+01 H2 1053 1.008000 0.423800 9.3495E+00 7.9084E-01 -1.2777E+01 O6 1054 15.999400 -0.847600 -9.3573E+00 -4.9256E-01 1.0295E+01 H1 1055 1.008000 0.423800 -9.7687E+00 -1.6507E-01 9.4439E+00 H2 1056 1.008000 0.423800 -9.8630E+00 -1.2205E-01 1.1074E+01 O6 1057 15.999400 -0.847600 3.9372E+00 -9.3650E+00 1.4632E+01 H1 1058 1.008000 0.423800 4.9225E+00 -9.4764E+00 1.4762E+01 H2 1059 1.008000 0.423800 3.6939E+00 -8.4009E+00 1.4738E+01 O6 1060 15.999400 -0.847600 -5.8927E+00 3.2476E+00 5.2343E+00 H1 1061 1.008000 0.423800 -5.0122E+00 2.7734E+00 5.2406E+00 H2 1062 1.008000 0.423800 -6.6245E+00 2.5941E+00 5.4275E+00 O6 1063 15.999400 -0.847600 -1.4990E+01 1.7253E+01 -9.3732E+00 H1 1064 1.008000 0.423800 -1.4202E+01 1.6685E+01 -9.6118E+00 H2 1065 1.008000 0.423800 -1.4673E+01 1.8099E+01 -8.9439E+00 O6 1066 15.999400 -0.847600 -2.0012E+00 1.9442E+01 -4.2348E+00 H1 1067 1.008000 0.423800 -2.3823E+00 1.8791E+01 -3.5791E+00 H2 1068 1.008000 0.423800 -2.4738E+00 1.9348E+01 -5.1111E+00 O6 1069 15.999400 -0.847600 -1.4534E+01 1.7640E+01 1.4090E+01 H1 1070 1.008000 0.423800 -1.5329E+01 1.7378E+01 1.4637E+01 H2 1071 1.008000 0.423800 -1.3997E+01 1.8320E+01 1.4589E+01 O6 1072 15.999400 -0.847600 1.2461E+01 6.8135E+00 -2.6791E+00 H1 1073 1.008000 0.423800 1.2535E+01 5.9201E+00 -2.2360E+00 H2 1074 1.008000 0.423800 1.2094E+01 7.4788E+00 -2.0289E+00 O6 1075 15.999400 -0.847600 -1.3014E+01 3.9436E+00 -1.7587E+01 H1 1076 1.008000 0.423800 -1.2447E+01 3.1356E+00 -1.7426E+01 H2 1077 1.008000 0.423800 -1.3670E+01 4.0457E+00 -1.6839E+01 O6 1078 15.999400 -0.847600 -1.6052E+01 -1.5789E+01 -1.2773E+01 H1 1079 1.008000 0.423800 -1.6763E+01 -1.6218E+01 -1.3331E+01 H2 1080 1.008000 0.423800 -1.6173E+01 -1.6056E+01 -1.1817E+01 O6 1081 15.999400 -0.847600 -1.6275E+01 9.7314E+00 1.0657E+01 H1 1082 1.008000 0.423800 -1.7036E+01 9.2010E+00 1.0283E+01 H2 1083 1.008000 0.423800 -1.5438E+01 9.5141E+00 1.0155E+01 O6 1084 15.999400 -0.847600 8.3437E+00 1.9249E+01 4.1173E+00 H1 1085 1.008000 0.423800 9.2735E+00 1.8929E+01 4.2990E+00 H2 1086 1.008000 0.423800 8.0929E+00 1.9027E+01 3.1751E+00 O6 1087 15.999400 -0.847600 1.8341E+00 -1.0781E+01 1.5690E+01 H1 1088 1.008000 0.423800 1.1962E+00 -1.1334E+01 1.5154E+01 H2 1089 1.008000 0.423800 2.6019E+00 -1.0505E+01 1.5111E+01 O6 1090 15.999400 -0.847600 -8.2750E+00 8.0822E+00 -6.6273E+00 H1 1091 1.008000 0.423800 -8.8146E+00 8.9092E+00 -6.7849E+00 H2 1092 1.008000 0.423800 -7.3260E+00 8.3344E+00 -6.4382E+00 O6 1093 15.999400 -0.847600 -4.1603E+00 -1.4291E+01 4.9441E+00 H1 1094 1.008000 0.423800 -3.7317E+00 -1.4197E+01 5.8426E+00 H2 1095 1.008000 0.423800 -4.7863E+00 -1.3527E+01 4.7914E+00 O6 1096 15.999400 -0.847600 3.0562E+00 -1.4472E+01 1.7312E+01 H1 1097 1.008000 0.423800 3.7264E+00 -1.4918E+01 1.6718E+01 H2 1098 1.008000 0.423800 2.7521E+00 -1.5117E+01 1.8014E+01 O6 1099 15.999400 -0.847600 1.4154E+01 -4.2021E-01 2.1513E+00 H1 1100 1.008000 0.423800 1.3526E+01 3.1841E-01 1.9074E+00 H2 1101 1.008000 0.423800 1.4279E+01 -1.0249E+00 1.3647E+00 O6 1102 15.999400 -0.847600 1.8770E+00 1.7795E+00 -1.1846E+01 H1 1103 1.008000 0.423800 1.7728E+00 2.1883E+00 -1.2753E+01 H2 1104 1.008000 0.423800 2.0534E+00 2.4991E+00 -1.1175E+01 O6 1105 15.999400 -0.847600 3.3164E+00 6.4055E+00 -9.0033E+00 H1 1106 1.008000 0.423800 2.3845E+00 6.1135E+00 -8.7880E+00 H2 1107 1.008000 0.423800 3.9114E+00 6.2255E+00 -8.2200E+00 O6 1108 15.999400 -0.847600 3.8174E+00 1.4433E+01 -1.7958E+01 H1 1109 1.008000 0.423800 3.5656E+00 1.5362E+01 -1.8230E+01 H2 1110 1.008000 0.423800 4.2636E+00 1.3970E+01 -1.8724E+01 O6 1111 15.999400 -0.847600 -2.6344E+00 -1.3060E+01 3.1135E+00 H1 1112 1.008000 0.423800 -3.3106E+00 -1.3239E+01 3.8283E+00 H2 1113 1.008000 0.423800 -2.0934E+00 -1.2256E+01 3.3596E+00 O6 1114 15.999400 -0.847600 -3.7356E+00 1.4021E+01 -6.7232E+00 H1 1115 1.008000 0.423800 -3.2912E+00 1.3265E+01 -6.2423E+00 H2 1116 1.008000 0.423800 -3.7244E+00 1.4837E+01 -6.1448E+00 O6 1117 15.999400 -0.847600 8.5479E+00 -4.4232E-01 -8.6860E+00 H1 1118 1.008000 0.423800 8.2279E+00 -1.0092E+00 -9.4452E+00 H2 1119 1.008000 0.423800 7.8055E+00 1.5295E-01 -8.3787E+00 O6 1120 15.999400 -0.847600 -8.3897E+00 6.4040E+00 -1.5575E+01 H1 1121 1.008000 0.423800 -8.5158E+00 6.4234E+00 -1.6567E+01 H2 1122 1.008000 0.423800 -8.8968E+00 5.6329E+00 -1.5190E+01 O6 1123 15.999400 -0.847600 -1.1271E+01 1.6649E+00 1.9327E+01 H1 1124 1.008000 0.423800 -1.1936E+01 2.3077E+00 1.8947E+01 H2 1125 1.008000 0.423800 -1.1501E+01 1.4713E+00 -1.8817E+01 O6 1126 15.999400 -0.847600 1.8230E+01 1.0987E+01 1.9309E+01 H1 1127 1.008000 0.423800 1.8480E+01 1.0912E+01 -1.8823E+01 H2 1128 1.008000 0.423800 1.7234E+01 1.0981E+01 1.9222E+01 O6 1129 15.999400 -0.847600 -1.0879E+01 2.8771E+00 -1.9993E+00 H1 1130 1.008000 0.423800 -1.0409E+01 3.0337E+00 -1.1310E+00 H2 1131 1.008000 0.423800 -1.1518E+01 2.1141E+00 -1.8993E+00 O6 1132 15.999400 -0.847600 2.2528E+00 1.7682E+01 1.0714E+01 H1 1133 1.008000 0.423800 2.6308E+00 1.8525E+01 1.1095E+01 H2 1134 1.008000 0.423800 1.7844E+00 1.7885E+01 9.8546E+00 O6 1135 15.999400 -0.847600 7.7528E+00 7.9810E+00 -1.9429E+01 H1 1136 1.008000 0.423800 6.9673E+00 8.5513E+00 1.9428E+01 H2 1137 1.008000 0.423800 8.4475E+00 8.5427E+00 -1.8980E+01 O6 1138 15.999400 -0.847600 7.7125E+00 1.8857E+01 -1.2284E+01 H1 1139 1.008000 0.423800 8.6588E+00 1.8696E+01 -1.2004E+01 H2 1140 1.008000 0.423800 7.2029E+00 1.7997E+01 -1.2246E+01 O6 1141 15.999400 -0.847600 1.4597E+01 1.2484E+01 1.3847E+01 H1 1142 1.008000 0.423800 1.5338E+01 1.2061E+01 1.3326E+01 H2 1143 1.008000 0.423800 1.4895E+01 1.3378E+01 1.4183E+01 O6 1144 15.999400 -0.847600 7.3367E+00 -4.8413E+00 -4.9001E+00 H1 1145 1.008000 0.423800 7.6806E+00 -3.9275E+00 -5.1160E+00 H2 1146 1.008000 0.423800 6.4216E+00 -4.7679E+00 -4.5036E+00 O6 1147 15.999400 -0.847600 1.8628E+01 4.3467E-01 -1.2131E+01 H1 1148 1.008000 0.423800 1.9425E+01 3.6100E-01 -1.1531E+01 H2 1149 1.008000 0.423800 1.8217E+01 1.3405E+00 -1.2030E+01 O6 1150 15.999400 -0.847600 -4.3035E+00 -1.3294E+01 1.8024E+01 H1 1151 1.008000 0.423800 -3.9820E+00 -1.4001E+01 1.8654E+01 H2 1152 1.008000 0.423800 -3.5983E+00 -1.3113E+01 1.7338E+01 O6 1153 15.999400 -0.847600 -1.4860E+01 -1.5785E+01 1.0035E+01 H1 1154 1.008000 0.423800 -1.4090E+01 -1.5635E+01 1.0656E+01 H2 1155 1.008000 0.423800 -1.4931E+01 -1.5014E+01 9.4014E+00 O6 1156 15.999400 -0.847600 7.7323E+00 7.8949E+00 7.0302E+00 H1 1157 1.008000 0.423800 7.2670E+00 8.7128E+00 6.6917E+00 H2 1158 1.008000 0.423800 8.4044E+00 7.5905E+00 6.3552E+00 O6 1159 15.999400 -0.847600 7.3870E-01 9.7024E+00 -1.2647E+01 H1 1160 1.008000 0.423800 7.4628E-01 8.7680E+00 -1.2291E+01 H2 1161 1.008000 0.423800 1.6761E+00 9.9943E+00 -1.2837E+01 O6 1162 15.999400 -0.847600 -1.3533E+01 -1.6728E+01 -5.6959E+00 H1 1163 1.008000 0.423800 -1.2706E+01 -1.6929E+01 -5.1707E+00 H2 1164 1.008000 0.423800 -1.3607E+01 -1.7370E+01 -6.4595E+00 O6 1165 15.999400 -0.847600 1.5689E+01 -9.2531E+00 -5.8229E+00 H1 1166 1.008000 0.423800 1.4812E+01 -9.4630E+00 -5.3904E+00 H2 1167 1.008000 0.423800 1.6128E+01 -8.4976E+00 -5.3366E+00 O6 1168 15.999400 -0.847600 -8.1520E+00 1.5289E+01 1.1807E+01 H1 1169 1.008000 0.423800 -7.8753E+00 1.6250E+01 1.1794E+01 H2 1170 1.008000 0.423800 -7.3407E+00 1.4710E+01 1.1886E+01 O6 1171 15.999400 -0.847600 1.6492E+01 -1.8488E+01 6.3827E+00 H1 1172 1.008000 0.423800 1.7421E+01 -1.8829E+01 6.2386E+00 H2 1173 1.008000 0.423800 1.6006E+01 -1.9098E+01 7.0076E+00 O6 1174 15.999400 -0.847600 1.1450E+01 -6.0586E-01 1.8872E+01 H1 1175 1.008000 0.423800 1.0774E+01 -8.4141E-01 -1.9526E+01 H2 1176 1.008000 0.423800 1.2123E+01 -1.3416E+00 1.8798E+01 O6 1177 15.999400 -0.847600 1.6429E+01 -4.0566E+00 6.1067E+00 H1 1178 1.008000 0.423800 1.5782E+01 -4.6861E+00 5.6765E+00 H2 1179 1.008000 0.423800 1.7359E+01 -4.2831E+00 5.8151E+00 O6 1180 15.999400 -0.847600 2.9107E+00 9.2012E+00 -4.9918E+00 H1 1181 1.008000 0.423800 2.8798E+00 8.6762E+00 -4.1412E+00 H2 1182 1.008000 0.423800 2.1898E+00 8.8819E+00 -5.6069E+00 O6 1183 15.999400 -0.847600 -1.6556E+01 -2.4418E+00 8.2898E+00 H1 1184 1.008000 0.423800 -1.7408E+01 -2.2088E+00 8.7591E+00 H2 1185 1.008000 0.423800 -1.6181E+01 -1.6232E+00 7.8550E+00 O6 1186 15.999400 -0.847600 9.2226E-01 5.8847E-01 -1.4398E+00 H1 1187 1.008000 0.423800 1.2475E+00 3.5949E-01 -5.2230E-01 H2 1188 1.008000 0.423800 -7.7685E-02 5.8621E-01 -1.4492E+00 O6 1189 15.999400 -0.847600 1.3797E+01 -1.5255E+01 -9.0988E+00 H1 1190 1.008000 0.423800 1.3929E+01 -1.6132E+01 -8.6366E+00 H2 1191 1.008000 0.423800 1.4683E+01 -1.4809E+01 -9.2269E+00 O6 1192 15.999400 -0.847600 2.5253E-01 8.1801E+00 -2.2135E+00 H1 1193 1.008000 0.423800 2.1129E-01 7.3105E+00 -1.7215E+00 H2 1194 1.008000 0.423800 -5.0455E-02 8.9185E+00 -1.6111E+00 O6 1195 15.999400 -0.847600 1.8085E+01 -5.6796E+00 1.2716E+01 H1 1196 1.008000 0.423800 1.8248E+01 -5.3919E+00 1.1772E+01 H2 1197 1.008000 0.423800 1.8417E+01 -6.6147E+00 1.2841E+01 O6 1198 15.999400 -0.847600 9.3537E+00 -1.3501E+01 -1.2569E+01 H1 1199 1.008000 0.423800 1.0150E+01 -1.3726E+01 -1.3130E+01 H2 1200 1.008000 0.423800 8.6273E+00 -1.3137E+01 -1.3152E+01 O6 1201 15.999400 -0.847600 1.7965E+01 1.5568E+01 -8.4458E+00 H1 1202 1.008000 0.423800 1.8691E+01 1.5379E+01 -7.7843E+00 H2 1203 1.008000 0.423800 1.7194E+01 1.4954E+01 -8.2778E+00 O6 1204 15.999400 -0.847600 -1.7682E+01 7.3144E-01 1.0208E+01 H1 1205 1.008000 0.423800 -1.8055E+01 -1.4942E-01 9.9164E+00 H2 1206 1.008000 0.423800 -1.8383E+01 1.4381E+00 1.0113E+01 O6 1207 15.999400 -0.847600 -4.2746E+00 1.7262E+00 -4.7481E-01 H1 1208 1.008000 0.423800 -3.9043E+00 1.3316E+00 3.6613E-01 H2 1209 1.008000 0.423800 -5.2465E+00 1.5025E+00 -5.4815E-01 O6 1210 15.999400 -0.847600 4.9293E+00 1.0895E+00 1.0480E+01 H1 1211 1.008000 0.423800 5.7044E+00 5.0861E-01 1.0231E+01 H2 1212 1.008000 0.423800 4.9464E+00 1.9227E+00 9.9274E+00 O6 1213 15.999400 -0.847600 1.4639E+01 1.3018E+01 -1.5120E+01 H1 1214 1.008000 0.423800 1.5097E+01 1.2143E+01 -1.4963E+01 H2 1215 1.008000 0.423800 1.3759E+01 1.3023E+01 -1.4647E+01 O6 1216 15.999400 -0.847600 6.5762E+00 1.0104E+01 -9.8888E+00 H1 1217 1.008000 0.423800 5.9327E+00 9.3996E+00 -1.0188E+01 H2 1218 1.008000 0.423800 6.9553E+00 1.0571E+01 -1.0688E+01 O6 1219 15.999400 -0.847600 1.1806E+01 1.2126E+01 -1.6895E+01 H1 1220 1.008000 0.423800 1.2391E+01 1.2888E+01 -1.7173E+01 H2 1221 1.008000 0.423800 1.0848E+01 1.2366E+01 -1.7053E+01 O6 1222 15.999400 -0.847600 1.2414E+01 1.6082E+01 -3.9111E-01 H1 1223 1.008000 0.423800 1.2845E+01 1.6922E+01 -6.2342E-02 H2 1224 1.008000 0.423800 1.3049E+01 1.5593E+01 -9.8911E-01 O6 1225 15.999400 -0.847600 9.7660E-01 1.6635E+00 8.5017E+00 H1 1226 1.008000 0.423800 6.4963E-01 2.3763E+00 9.1222E+00 H2 1227 1.008000 0.423800 1.2830E+00 8.7385E-01 9.0333E+00 O6 1228 15.999400 -0.847600 -1.3586E+00 -1.1686E+01 -1.6458E+01 H1 1229 1.008000 0.423800 -1.7014E+00 -1.1251E+01 -1.5625E+01 H2 1230 1.008000 0.423800 -1.0992E+00 -1.0982E+01 -1.7119E+01 O6 1231 15.999400 -0.847600 -2.3684E+00 1.7746E+01 3.2931E+00 H1 1232 1.008000 0.423800 -3.0816E+00 1.8441E+01 3.3855E+00 H2 1233 1.008000 0.423800 -2.7377E+00 1.6952E+01 2.8112E+00 O6 1234 15.999400 -0.847600 1.8336E+00 -1.9167E+01 -1.5070E+01 H1 1235 1.008000 0.423800 1.4213E+00 1.9246E+01 -1.4469E+01 H2 1236 1.008000 0.423800 1.4156E+00 -1.8276E+01 -1.4896E+01 O6 1237 15.999400 -0.847600 -1.3376E+01 1.7916E+01 -1.7847E+01 H1 1238 1.008000 0.423800 -1.2921E+01 1.7972E+01 -1.8736E+01 H2 1239 1.008000 0.423800 -1.3972E+01 1.7112E+01 -1.7827E+01 O6 1240 15.999400 -0.847600 -8.3415E+00 7.7639E-01 1.6812E+00 H1 1241 1.008000 0.423800 -9.0095E+00 7.7526E-02 1.4255E+00 H2 1242 1.008000 0.423800 -7.7595E+00 4.2804E-01 2.4160E+00 O6 1243 15.999400 -0.847600 8.5402E+00 -1.9167E+01 -1.0825E+00 H1 1244 1.008000 0.423800 8.9546E+00 -1.8457E+01 -1.6516E+00 H2 1245 1.008000 0.423800 8.3413E+00 1.9127E+01 -1.6440E+00 O6 1246 15.999400 -0.847600 1.1019E+01 8.2419E+00 1.8290E+01 H1 1247 1.008000 0.423800 1.0762E+01 8.4290E+00 1.7342E+01 H2 1248 1.008000 0.423800 1.1996E+01 8.0332E+00 1.8335E+01 O6 1249 15.999400 -0.847600 -3.2683E+00 -3.1629E+00 1.3238E+01 H1 1250 1.008000 0.423800 -2.7869E+00 -4.0166E+00 1.3038E+01 H2 1251 1.008000 0.423800 -4.1720E+00 -3.1824E+00 1.2810E+01 O6 1252 15.999400 -0.847600 -2.5879E+00 1.8762E+01 1.5809E+01 H1 1253 1.008000 0.423800 -3.3796E+00 1.9315E+01 1.6069E+01 H2 1254 1.008000 0.423800 -2.7109E+00 1.7827E+01 1.6142E+01 O6 1255 15.999400 -0.847600 -8.9348E+00 2.8840E+00 -3.9964E+00 H1 1256 1.008000 0.423800 -9.4740E+00 3.0369E+00 -3.1682E+00 H2 1257 1.008000 0.423800 -7.9662E+00 2.8195E+00 -3.7563E+00 O6 1258 15.999400 -0.847600 -4.1753E-01 -1.0670E+01 1.2351E+00 H1 1259 1.008000 0.423800 -1.3215E+00 -1.0329E+01 1.4931E+00 H2 1260 1.008000 0.423800 -5.1208E-01 -1.1560E+01 7.8867E-01 O6 1261 15.999400 -0.847600 -1.4933E+01 4.3600E+00 -1.5494E+01 H1 1262 1.008000 0.423800 -1.4872E+01 5.3581E+00 -1.5478E+01 H2 1263 1.008000 0.423800 -1.5599E+01 4.0778E+00 -1.6184E+01 O6 1264 15.999400 -0.847600 1.4212E+01 -5.0335E+00 -1.2268E+01 H1 1265 1.008000 0.423800 1.5149E+01 -5.3819E+00 -1.2231E+01 H2 1266 1.008000 0.423800 1.3936E+01 -4.9212E+00 -1.3223E+01 O6 1267 15.999400 -0.847600 -1.8599E+01 1.6425E+01 -1.6170E+01 H1 1268 1.008000 0.423800 -1.7904E+01 1.7083E+01 -1.5881E+01 H2 1269 1.008000 0.423800 -1.8209E+01 1.5504E+01 -1.6165E+01 O6 1270 15.999400 -0.847600 -1.7413E+01 -1.9301E+01 1.5042E+01 H1 1271 1.008000 0.423800 -1.7069E+01 -1.9344E+01 1.4103E+01 H2 1272 1.008000 0.423800 -1.7282E+01 -1.8378E+01 1.5403E+01 O6 1273 15.999400 -0.847600 -1.8065E+01 7.4525E+00 1.9484E+01 H1 1274 1.008000 0.423800 -1.7819E+01 7.2098E+00 1.8546E+01 H2 1275 1.008000 0.423800 -1.7442E+01 8.1581E+00 -1.9277E+01 O6 1276 15.999400 -0.847600 1.6638E+01 1.0003E+00 1.6985E+01 H1 1277 1.008000 0.423800 1.6997E+01 1.3237E+00 1.6109E+01 H2 1278 1.008000 0.423800 1.7310E+01 1.1749E+00 1.7705E+01 O6 1279 15.999400 -0.847600 -1.4514E+01 1.6650E+00 -5.8802E+00 H1 1280 1.008000 0.423800 -1.3814E+01 2.1656E+00 -5.3710E+00 H2 1281 1.008000 0.423800 -1.4886E+01 9.3608E-01 -5.3060E+00 O6 1282 15.999400 -0.847600 -1.4362E+01 -1.3987E+01 -9.6595E+00 H1 1283 1.008000 0.423800 -1.4233E+01 -1.4005E+01 -8.6681E+00 H2 1284 1.008000 0.423800 -1.4777E+01 -1.4846E+01 -9.9577E+00 O6 1285 15.999400 -0.847600 -6.8403E+00 -1.1494E+01 -7.6490E+00 H1 1286 1.008000 0.423800 -6.1510E+00 -1.1482E+01 -8.3734E+00 H2 1287 1.008000 0.423800 -7.7530E+00 -1.1481E+01 -8.0573E+00 O6 1288 15.999400 -0.847600 -1.7768E+01 -1.6088E+00 -2.5740E+00 H1 1289 1.008000 0.423800 -1.8375E+01 -8.3957E-01 -2.3734E+00 H2 1290 1.008000 0.423800 -1.7804E+01 -1.8153E+00 -3.5518E+00 O6 1291 15.999400 -0.847600 -3.4450E-01 -1.3006E+01 -1.0778E+01 H1 1292 1.008000 0.423800 5.8378E-01 -1.2834E+01 -1.1108E+01 H2 1293 1.008000 0.423800 -3.5318E-01 -1.3840E+01 -1.0226E+01 O6 1294 15.999400 -0.847600 -1.4071E+00 -1.8346E+01 -1.9177E+01 H1 1295 1.008000 0.423800 -1.3749E+00 -1.7535E+01 1.9336E+01 H2 1296 1.008000 0.423800 -1.1736E+00 -1.9155E+01 1.9380E+01 O6 1297 15.999400 -0.847600 -6.0470E+00 1.7025E+01 3.8262E+00 H1 1298 1.008000 0.423800 -6.7221E+00 1.6748E+01 4.5098E+00 H2 1299 1.008000 0.423800 -5.3355E+00 1.6326E+01 3.7577E+00 O6 1300 15.999400 -0.847600 -3.6182E+00 4.2707E+00 5.0549E-02 H1 1301 1.008000 0.423800 -2.6569E+00 4.3532E+00 3.1354E-01 H2 1302 1.008000 0.423800 -3.8624E+00 3.3036E+00 -2.0645E-02 O6 1303 15.999400 -0.847600 -1.7772E+00 -5.5349E+00 1.2886E+01 H1 1304 1.008000 0.423800 -1.0279E+00 -5.9628E+00 1.3392E+01 H2 1305 1.008000 0.423800 -1.8902E+00 -5.9945E+00 1.2006E+01 O6 1306 15.999400 -0.847600 1.4002E+01 -1.6569E+01 1.3868E+01 H1 1307 1.008000 0.423800 1.4165E+01 -1.5642E+01 1.4205E+01 H2 1308 1.008000 0.423800 1.4485E+01 -1.7225E+01 1.4449E+01 O6 1309 15.999400 -0.847600 4.4832E+00 1.3430E+01 1.8783E+01 H1 1310 1.008000 0.423800 5.1301E+00 1.2741E+01 1.8457E+01 H2 1311 1.008000 0.423800 3.5523E+00 1.3071E+01 1.8718E+01 O6 1312 15.999400 -0.847600 -3.8103E+00 -9.6736E+00 -1.7835E+01 H1 1313 1.008000 0.423800 -4.2762E+00 -1.0535E+01 -1.8037E+01 H2 1314 1.008000 0.423800 -4.1711E+00 -8.9533E+00 -1.8428E+01 O6 1315 15.999400 -0.847600 1.3215E+01 -1.0404E+01 8.1245E+00 H1 1316 1.008000 0.423800 1.3970E+01 -1.0026E+01 8.6594E+00 H2 1317 1.008000 0.423800 1.3494E+01 -1.0490E+01 7.1680E+00 O6 1318 15.999400 -0.847600 1.9068E+01 9.2529E+00 2.6099E+00 H1 1319 1.008000 0.423800 1.8464E+01 8.8344E+00 3.2875E+00 H2 1320 1.008000 0.423800 -1.9108E+01 9.3324E+00 2.9897E+00 O6 1321 15.999400 -0.847600 -5.8793E+00 1.1044E+00 -8.5142E+00 H1 1322 1.008000 0.423800 -5.3669E+00 3.8474E-01 -8.9828E+00 H2 1323 1.008000 0.423800 -6.1913E+00 7.6701E-01 -7.6260E+00 O6 1324 15.999400 -0.847600 -1.2404E+01 5.2240E+00 -6.0492E+00 H1 1325 1.008000 0.423800 -1.2552E+01 4.3864E+00 -5.5232E+00 H2 1326 1.008000 0.423800 -1.1423E+01 5.4083E+00 -6.1138E+00 O6 1327 15.999400 -0.847600 -1.1326E+01 -3.6658E+00 1.8048E+01 H1 1328 1.008000 0.423800 -1.1047E+01 -2.7288E+00 1.8259E+01 H2 1329 1.008000 0.423800 -1.2318E+01 -3.7474E+00 1.8140E+01 O6 1330 15.999400 -0.847600 1.0475E+01 -8.6073E+00 1.4928E+01 H1 1331 1.008000 0.423800 9.7544E+00 -8.1723E+00 1.4388E+01 H2 1332 1.008000 0.423800 1.1333E+01 -8.1098E+00 1.4801E+01 O6 1333 15.999400 -0.847600 -5.0899E+00 1.9507E+01 -1.2048E+01 H1 1334 1.008000 0.423800 -5.9365E+00 1.9478E+01 -1.1516E+01 H2 1335 1.008000 0.423800 -4.3063E+00 1.9440E+01 -1.1430E+01 O6 1336 15.999400 -0.847600 -7.5071E+00 1.7519E+01 -8.1407E+00 H1 1337 1.008000 0.423800 -7.8183E+00 1.6608E+01 -8.4100E+00 H2 1338 1.008000 0.423800 -8.1299E+00 1.7895E+01 -7.4544E+00 O6 1339 15.999400 -0.847600 1.6963E+01 1.6372E+01 1.9523E-01 H1 1340 1.008000 0.423800 1.6551E+01 1.5592E+01 -2.7657E-01 H2 1341 1.008000 0.423800 1.6884E+01 1.7188E+01 -3.7793E-01 O6 1342 15.999400 -0.847600 -7.1549E+00 5.6168E-01 -1.7437E+01 H1 1343 1.008000 0.423800 -7.1209E+00 1.0112E+00 -1.8329E+01 H2 1344 1.008000 0.423800 -7.1808E+00 -4.2987E-01 -1.7564E+01 O6 1345 15.999400 -0.847600 1.4612E+01 -1.9312E+01 -1.7115E+01 H1 1346 1.008000 0.423800 1.5137E+01 1.8935E+01 -1.7151E+01 H2 1347 1.008000 0.423800 1.4346E+01 -1.9046E+01 -1.8042E+01 O6 1348 15.999400 -0.847600 9.1829E+00 -7.9893E+00 -1.5694E+01 H1 1349 1.008000 0.423800 9.9514E+00 -8.4143E+00 -1.6172E+01 H2 1350 1.008000 0.423800 9.5088E+00 -7.1979E+00 -1.5176E+01 O6 1351 15.999400 -0.847600 1.3499E+01 7.2413E+00 1.8405E+01 H1 1352 1.008000 0.423800 1.3538E+01 6.4152E+00 1.8967E+01 H2 1353 1.008000 0.423800 1.4426E+01 7.5080E+00 1.8141E+01 O6 1354 15.999400 -0.847600 5.8658E-01 3.1741E+00 1.5771E+01 H1 1355 1.008000 0.423800 3.8185E-01 3.2563E+00 1.6746E+01 H2 1356 1.008000 0.423800 1.4701E+00 2.7208E+00 1.5653E+01 O6 1357 15.999400 -0.847600 3.7398E+00 8.3084E+00 1.5142E+01 H1 1358 1.008000 0.423800 4.4909E+00 8.6063E+00 1.4553E+01 H2 1359 1.008000 0.423800 3.4920E+00 9.0492E+00 1.5767E+01 O6 1360 15.999400 -0.847600 -6.7116E+00 -4.7459E+00 -4.9791E+00 H1 1361 1.008000 0.423800 -5.7181E+00 -4.6638E+00 -5.0578E+00 H2 1362 1.008000 0.423800 -7.1427E+00 -4.3782E+00 -5.8030E+00 O6 1363 15.999400 -0.847600 -1.4587E+00 2.5969E+00 1.2512E+00 H1 1364 1.008000 0.423800 -1.5425E+00 3.1979E+00 2.0460E+00 H2 1365 1.008000 0.423800 -5.3374E-01 2.6658E+00 8.7735E-01 O6 1366 15.999400 -0.847600 1.5289E+00 -1.8969E+01 1.7264E+01 H1 1367 1.008000 0.423800 1.7972E+00 1.9337E+01 1.7814E+01 H2 1368 1.008000 0.423800 5.3208E-01 -1.8936E+01 1.7192E+01 O6 1369 15.999400 -0.847600 -1.0482E+01 -8.3373E-01 1.5218E+00 H1 1370 1.008000 0.423800 -1.0359E+01 -1.7362E+00 1.9347E+00 H2 1371 1.008000 0.423800 -1.1158E+01 -8.9252E-01 7.8741E-01 O6 1372 15.999400 -0.847600 6.9417E+00 -1.3461E+01 -1.2697E+00 H1 1373 1.008000 0.423800 6.2982E+00 -1.2805E+01 -8.7631E-01 H2 1374 1.008000 0.423800 6.8193E+00 -1.4352E+01 -8.3100E-01 O6 1375 15.999400 -0.847600 1.5352E+01 -1.6755E+01 1.0270E+01 H1 1376 1.008000 0.423800 1.5062E+01 -1.6737E+01 9.3136E+00 H2 1377 1.008000 0.423800 1.4833E+01 -1.7453E+01 1.0763E+01 O6 1378 15.999400 -0.847600 1.5905E+01 4.4086E+00 1.6622E+01 H1 1379 1.008000 0.423800 1.5902E+01 3.4156E+00 1.6504E+01 H2 1380 1.008000 0.423800 1.4966E+01 4.7500E+00 1.6599E+01 O6 1381 15.999400 -0.847600 -1.6618E+01 3.7832E+00 -3.8761E+00 H1 1382 1.008000 0.423800 -1.5757E+01 4.2149E+00 -4.1452E+00 H2 1383 1.008000 0.423800 -1.7133E+01 4.4054E+00 -3.2863E+00 O6 1384 15.999400 -0.847600 1.5424E+01 6.8634E+00 1.1976E+01 H1 1385 1.008000 0.423800 1.5863E+01 7.6297E+00 1.2445E+01 H2 1386 1.008000 0.423800 1.4977E+01 6.2737E+00 1.2649E+01 O6 1387 15.999400 -0.847600 -4.4584E+00 1.1691E+01 -3.3957E+00 H1 1388 1.008000 0.423800 -5.2558E+00 1.1216E+01 -3.7685E+00 H2 1389 1.008000 0.423800 -4.3065E+00 1.1396E+01 -2.4521E+00 O6 1390 15.999400 -0.847600 -3.4313E+00 -6.4450E+00 9.9265E+00 H1 1391 1.008000 0.423800 -2.6791E+00 -6.0310E+00 9.4138E+00 H2 1392 1.008000 0.423800 -4.1909E+00 -6.6386E+00 9.3057E+00 O6 1393 15.999400 -0.847600 1.5714E+01 6.3198E+00 -6.6255E+00 H1 1394 1.008000 0.423800 1.5312E+01 5.7584E+00 -7.3490E+00 H2 1395 1.008000 0.423800 1.5630E+01 5.8445E+00 -5.7497E+00 O6 1396 15.999400 -0.847600 -1.0221E+01 1.7515E+01 7.8989E+00 H1 1397 1.008000 0.423800 -9.9202E+00 1.8069E+01 8.6748E+00 H2 1398 1.008000 0.423800 -9.4227E+00 1.7188E+01 7.3933E+00 O6 1399 15.999400 -0.847600 1.0046E+01 -1.5033E+01 -5.7886E+00 H1 1400 1.008000 0.423800 1.0197E+01 -1.4216E+01 -5.2319E+00 H2 1401 1.008000 0.423800 9.1191E+00 -1.5015E+01 -6.1628E+00 O6 1402 15.999400 -0.847600 4.3944E+00 9.3893E-01 8.9245E-01 H1 1403 1.008000 0.423800 4.8993E+00 5.8461E-01 1.6796E+00 H2 1404 1.008000 0.423800 4.4076E+00 1.9387E+00 9.1066E-01 O6 1405 15.999400 -0.847600 1.3081E+01 1.1764E+01 -1.8457E+00 H1 1406 1.008000 0.423800 1.3794E+01 1.1204E+01 -1.4248E+00 H2 1407 1.008000 0.423800 1.2239E+01 1.1690E+01 -1.3101E+00 O6 1408 15.999400 -0.847600 -8.5364E+00 1.6692E+01 5.3169E-01 H1 1409 1.008000 0.423800 -7.8243E+00 1.7281E+01 9.1376E-01 H2 1410 1.008000 0.423800 -9.4141E+00 1.7171E+01 5.5747E-01 O6 1411 15.999400 -0.847600 -7.8147E+00 1.2320E+01 -1.5414E+00 H1 1412 1.008000 0.423800 -8.5954E+00 1.2786E+01 -1.1241E+00 H2 1413 1.008000 0.423800 -6.9942E+00 1.2881E+01 -1.4303E+00 O6 1414 15.999400 -0.847600 1.6899E+01 -9.8524E+00 -1.0451E+01 H1 1415 1.008000 0.423800 1.6335E+01 -1.0561E+01 -1.0876E+01 H2 1416 1.008000 0.423800 1.6323E+01 -9.2669E+00 -9.8800E+00 O6 1417 15.999400 -0.847600 -1.5744E+01 -6.1621E+00 4.5482E+00 H1 1418 1.008000 0.423800 -1.5719E+01 -5.1995E+00 4.8182E+00 H2 1419 1.008000 0.423800 -1.4881E+01 -6.4066E+00 4.1054E+00 O6 1420 15.999400 -0.847600 1.8030E+01 -1.5922E+01 1.5953E+01 H1 1421 1.008000 0.423800 1.8740E+01 -1.5455E+01 1.6481E+01 H2 1422 1.008000 0.423800 1.7458E+01 -1.6463E+01 1.6569E+01 O6 1423 15.999400 -0.847600 4.0612E-01 1.7521E+01 3.3740E+00 H1 1424 1.008000 0.423800 6.2000E-01 1.8041E+01 2.5472E+00 H2 1425 1.008000 0.423800 -5.8387E-01 1.7511E+01 3.5146E+00 O6 1426 15.999400 -0.847600 -5.9637E+00 -4.2229E+00 -1.5197E+00 H1 1427 1.008000 0.423800 -6.7587E+00 -4.7806E+00 -1.2810E+00 H2 1428 1.008000 0.423800 -5.8866E+00 -4.1613E+00 -2.5148E+00 O6 1429 15.999400 -0.847600 1.4413E-01 -1.7868E+01 1.2044E+01 H1 1430 1.008000 0.423800 5.1256E-01 -1.8010E+01 1.1125E+01 H2 1431 1.008000 0.423800 -3.8989E-01 -1.8669E+01 1.2316E+01 O6 1432 15.999400 -0.847600 -4.9052E+00 2.7709E+00 -1.7236E+01 H1 1433 1.008000 0.423800 -4.3108E+00 2.5075E+00 -1.7996E+01 H2 1434 1.008000 0.423800 -5.3731E+00 3.6259E+00 -1.7460E+01 O6 1435 15.999400 -0.847600 1.7338E+01 -4.5642E+00 1.7097E+01 H1 1436 1.008000 0.423800 1.6782E+01 -3.8230E+00 1.7474E+01 H2 1437 1.008000 0.423800 1.8068E+01 -4.7936E+00 1.7741E+01 O6 1438 15.999400 -0.847600 -1.2565E+01 3.9229E+00 -8.4841E+00 H1 1439 1.008000 0.423800 -1.1663E+01 4.2733E+00 -8.7366E+00 H2 1440 1.008000 0.423800 -1.2756E+01 4.1522E+00 -7.5298E+00 O6 1441 15.999400 -0.847600 -4.2425E+00 1.0254E+01 -7.0400E-01 H1 1442 1.008000 0.423800 -3.7397E+00 9.5164E+00 -1.1554E+00 H2 1443 1.008000 0.423800 -5.2019E+00 9.9900E+00 -6.0369E-01 O6 1444 15.999400 -0.847600 7.8549E+00 4.6213E+00 -9.9187E-01 H1 1445 1.008000 0.423800 7.8535E+00 5.6031E+00 -8.0169E-01 H2 1446 1.008000 0.423800 7.1660E+00 4.4155E+00 -1.6869E+00 O6 1447 15.999400 -0.847600 4.5673E+00 -1.9391E+01 -1.5380E+01 H1 1448 1.008000 0.423800 4.5673E+00 -1.8812E+01 -1.6195E+01 H2 1449 1.008000 0.423800 3.6246E+00 1.9504E+01 -1.5115E+01 O6 1450 15.999400 -0.847600 -1.7183E+01 -1.4244E+01 -6.9062E+00 H1 1451 1.008000 0.423800 -1.7589E+01 -1.4443E+01 -7.7986E+00 H2 1452 1.008000 0.423800 -1.6187E+01 -1.4248E+01 -6.9845E+00 O6 1453 15.999400 -0.847600 6.4798E+00 8.8036E+00 -1.6224E+01 H1 1454 1.008000 0.423800 7.3565E+00 8.8797E+00 -1.6699E+01 H2 1455 1.008000 0.423800 5.9584E+00 8.0412E+00 -1.6607E+01 O6 1456 15.999400 -0.847600 1.1085E+01 -1.3559E+00 -3.0295E+00 H1 1457 1.008000 0.423800 1.0908E+01 -1.8106E+00 -2.1565E+00 H2 1458 1.008000 0.423800 1.0438E+01 -6.0295E-01 -3.1499E+00 O6 1459 15.999400 -0.847600 -1.5525E+01 -1.7756E+01 -4.0942E+00 H1 1460 1.008000 0.423800 -1.5004E+01 -1.8484E+01 -3.6502E+00 H2 1461 1.008000 0.423800 -1.4920E+01 -1.7230E+01 -4.6925E+00 O6 1462 15.999400 -0.847600 1.8881E+01 1.8748E+01 6.7878E+00 H1 1463 1.008000 0.423800 1.9511E+01 1.8489E+01 6.0555E+00 H2 1464 1.008000 0.423800 1.9312E+01 1.9436E+01 7.3709E+00 O6 1465 15.999400 -0.847600 -1.4630E+01 8.4615E+00 -9.4338E+00 H1 1466 1.008000 0.423800 -1.3872E+01 7.8224E+00 -9.3093E+00 H2 1467 1.008000 0.423800 -1.5244E+01 8.1162E+00 -1.0144E+01 O6 1468 15.999400 -0.847600 7.6623E+00 -4.5115E+00 1.0173E+01 H1 1469 1.008000 0.423800 6.9316E+00 -3.9236E+00 9.8256E+00 H2 1470 1.008000 0.423800 7.3166E+00 -5.4434E+00 1.0282E+01 O6 1471 15.999400 -0.847600 1.6556E+01 1.5482E+01 7.9598E+00 H1 1472 1.008000 0.423800 1.7349E+01 1.5058E+01 7.5226E+00 H2 1473 1.008000 0.423800 1.5983E+01 1.5913E+01 7.2634E+00 O6 1474 15.999400 -0.847600 1.4239E+01 -1.3229E+01 1.8053E+01 H1 1475 1.008000 0.423800 1.3410E+01 -1.2795E+01 1.8405E+01 H2 1476 1.008000 0.423800 1.4075E+01 -1.3553E+01 1.7121E+01 O6 1477 15.999400 -0.847600 4.8912E+00 1.3250E+01 -1.5662E+01 H1 1478 1.008000 0.423800 4.3978E+00 1.3399E+01 -1.4805E+01 H2 1479 1.008000 0.423800 4.4408E+00 1.3755E+01 -1.6398E+01 O6 1480 15.999400 -0.847600 -3.8281E+00 -9.1912E+00 -5.3815E+00 H1 1481 1.008000 0.423800 -4.1116E+00 -8.9138E+00 -6.2995E+00 H2 1482 1.008000 0.423800 -4.2540E+00 -8.5903E+00 -4.7052E+00 O6 1483 15.999400 -0.847600 -5.2164E+00 1.5179E+01 -1.2117E+01 H1 1484 1.008000 0.423800 -4.4198E+00 1.5613E+01 -1.2538E+01 H2 1485 1.008000 0.423800 -5.9667E+00 1.5838E+01 -1.2066E+01 O6 1486 15.999400 -0.847600 -1.8109E+01 1.7037E+01 -5.1483E+00 H1 1487 1.008000 0.423800 -1.8242E+01 1.7177E+01 -6.1295E+00 H2 1488 1.008000 0.423800 -1.8984E+01 1.6806E+01 -4.7231E+00 O6 1489 15.999400 -0.847600 8.0849E+00 -2.3275E+00 -5.2584E+00 H1 1490 1.008000 0.423800 7.3146E+00 -1.8190E+00 -5.6433E+00 H2 1491 1.008000 0.423800 8.9427E+00 -1.9300E+00 -5.5842E+00 O6 1492 15.999400 -0.847600 -1.2609E+01 6.3111E+00 1.0108E+01 H1 1493 1.008000 0.423800 -1.2756E+01 5.8562E+00 9.2301E+00 H2 1494 1.008000 0.423800 -1.3385E+01 6.1288E+00 1.0712E+01 O6 1495 15.999400 -0.847600 -1.1637E+01 -1.4990E+01 -1.8716E+01 H1 1496 1.008000 0.423800 -1.1473E+01 -1.4014E+01 -1.8857E+01 H2 1497 1.008000 0.423800 -1.2289E+01 -1.5115E+01 -1.7969E+01 O6 1498 15.999400 -0.847600 1.3684E+01 1.2766E+01 -4.4309E+00 H1 1499 1.008000 0.423800 1.3595E+01 1.2200E+01 -3.6117E+00 H2 1500 1.008000 0.423800 1.3879E+01 1.2183E+01 -5.2196E+00 O6 1501 15.999400 -0.847600 -1.3600E+01 1.7784E+01 4.0105E+00 H1 1502 1.008000 0.423800 -1.3008E+01 1.8586E+01 4.0885E+00 H2 1503 1.008000 0.423800 -1.3099E+01 1.6970E+01 4.3073E+00 O6 1504 15.999400 -0.847600 5.7040E+00 1.6526E+01 -7.2372E-01 H1 1505 1.008000 0.423800 5.6263E+00 1.7523E+01 -7.2373E-01 H2 1506 1.008000 0.423800 5.5919E+00 1.6183E+01 2.0889E-01 O6 1507 15.999400 -0.847600 -1.7062E+01 1.5658E+01 -8.7818E+00 H1 1508 1.008000 0.423800 -1.7881E+01 1.6188E+01 -8.5580E+00 H2 1509 1.008000 0.423800 -1.6296E+01 1.6281E+01 -8.9434E+00 O6 1510 15.999400 -0.847600 -7.4899E+00 1.0870E+01 2.1453E+00 H1 1511 1.008000 0.423800 -6.8884E+00 1.1649E+01 1.9681E+00 H2 1512 1.008000 0.423800 -8.3256E+00 1.0965E+01 1.6043E+00 O6 1513 15.999400 -0.847600 9.4778E+00 -1.5483E+01 5.4511E+00 H1 1514 1.008000 0.423800 9.3022E+00 -1.5875E+01 6.3541E+00 H2 1515 1.008000 0.423800 8.7790E+00 -1.4798E+01 5.2434E+00 O6 1516 15.999400 -0.847600 2.6727E+00 -9.3048E+00 2.0160E+00 H1 1517 1.008000 0.423800 2.9912E+00 -9.3437E+00 1.0688E+00 H2 1518 1.008000 0.423800 3.3957E+00 -9.6321E+00 2.6244E+00 O6 1519 15.999400 -0.847600 9.6736E+00 -5.5704E+00 -1.4199E+01 H1 1520 1.008000 0.423800 9.8405E+00 -6.0202E+00 -1.3321E+01 H2 1521 1.008000 0.423800 9.5857E+00 -4.5845E+00 -1.4056E+01 O6 1522 15.999400 -0.847600 -1.8811E+01 1.3496E+01 -4.4990E+00 H1 1523 1.008000 0.423800 -1.8540E+01 1.2695E+01 -3.9656E+00 H2 1524 1.008000 0.423800 1.9292E+01 1.3509E+01 -4.5990E+00 O6 1525 15.999400 -0.847600 -1.6231E+01 -1.3089E+01 1.9215E+01 H1 1526 1.008000 0.423800 -1.7049E+01 -1.3209E+01 -1.9319E+01 H2 1527 1.008000 0.423800 -1.6092E+01 -1.3903E+01 1.8651E+01 O6 1528 15.999400 -0.847600 6.4925E+00 1.3275E+01 1.1238E+01 H1 1529 1.008000 0.423800 6.4578E+00 1.3385E+01 1.0245E+01 H2 1530 1.008000 0.423800 5.7516E+00 1.3800E+01 1.1658E+01 O6 1531 15.999400 -0.847600 -4.5811E+00 9.0498E+00 2.3063E+00 H1 1532 1.008000 0.423800 -5.3771E+00 8.4815E+00 2.0979E+00 H2 1533 1.008000 0.423800 -3.8158E+00 8.7783E+00 1.7227E+00 O6 1534 15.999400 -0.847600 -1.6064E+01 1.3303E+01 -7.5513E+00 H1 1535 1.008000 0.423800 -1.5376E+01 1.3873E+01 -7.1029E+00 H2 1536 1.008000 0.423800 -1.6594E+01 1.3860E+01 -8.1901E+00 O6 1537 15.999400 -0.847600 1.5472E+01 -1.8140E+01 3.2180E+00 H1 1538 1.008000 0.423800 1.5345E+01 -1.8665E+01 4.0594E+00 H2 1539 1.008000 0.423800 1.5033E+01 -1.7246E+01 3.3136E+00 O6 1540 15.999400 -0.847600 9.7961E+00 1.7809E+01 8.0434E+00 H1 1541 1.008000 0.423800 9.3329E+00 1.7370E+01 8.8132E+00 H2 1542 1.008000 0.423800 1.0507E+01 1.8422E+01 8.3881E+00 O6 1543 15.999400 -0.847600 1.4598E+01 1.6704E+01 1.0093E+01 H1 1544 1.008000 0.423800 1.4961E+01 1.7635E+01 1.0112E+01 H2 1545 1.008000 0.423800 1.5173E+01 1.6133E+01 9.5073E+00 O6 1546 15.999400 -0.847600 6.2638E+00 1.6945E+00 -4.0742E+00 H1 1547 1.008000 0.423800 6.9864E+00 1.2469E+00 -3.5473E+00 H2 1548 1.008000 0.423800 5.6373E+00 1.0033E+00 -4.4346E+00 O6 1549 15.999400 -0.847600 -1.5639E+01 1.4647E+01 4.4815E+00 H1 1550 1.008000 0.423800 -1.5408E+01 1.3814E+01 3.9792E+00 H2 1551 1.008000 0.423800 -1.5481E+01 1.4502E+01 5.4583E+00 O6 1552 15.999400 -0.847600 -6.4337E+00 1.0461E+01 -1.1653E+01 H1 1553 1.008000 0.423800 -6.0211E+00 9.9878E+00 -1.2431E+01 H2 1554 1.008000 0.423800 -6.8318E+00 1.1325E+01 -1.1960E+01 O6 1555 15.999400 -0.847600 3.6209E+00 1.8887E+01 3.6593E+00 H1 1556 1.008000 0.423800 3.3105E+00 1.8953E+01 2.7110E+00 H2 1557 1.008000 0.423800 3.7344E+00 1.7924E+01 3.9057E+00 O6 1558 15.999400 -0.847600 1.5875E+01 -1.2862E+01 7.1781E+00 H1 1559 1.008000 0.423800 1.5462E+01 -1.3326E+01 7.9618E+00 H2 1560 1.008000 0.423800 1.6175E+01 -1.1949E+01 7.4517E+00 O6 1561 15.999400 -0.847600 1.8252E+01 1.4601E+00 -1.4195E+00 H1 1562 1.008000 0.423800 1.8710E+01 8.2256E-01 -2.0390E+00 H2 1563 1.008000 0.423800 1.8750E+01 2.3272E+00 -1.4056E+00 O6 1564 15.999400 -0.847600 -7.1172E+00 2.2604E+00 -1.0792E+01 H1 1565 1.008000 0.423800 -7.0883E+00 3.2581E+00 -1.0855E+01 H2 1566 1.008000 0.423800 -6.6062E+00 1.9623E+00 -9.9860E+00 O6 1567 15.999400 -0.847600 -3.4490E+00 -1.7289E+01 -1.2920E+01 H1 1568 1.008000 0.423800 -4.2254E+00 -1.7895E+01 -1.2748E+01 H2 1569 1.008000 0.423800 -2.5975E+00 -1.7772E+01 -1.2716E+01 O6 1570 15.999400 -0.847600 -1.2179E+01 -6.2209E+00 -1.8433E+01 H1 1571 1.008000 0.423800 -1.1619E+01 -6.1566E+00 -1.9259E+01 H2 1572 1.008000 0.423800 -1.2167E+01 -5.3433E+00 -1.7954E+01 O6 1573 15.999400 -0.847600 -7.9464E+00 -1.9652E+00 -1.7897E+01 H1 1574 1.008000 0.423800 -8.0269E+00 -2.3643E+00 -1.6983E+01 H2 1575 1.008000 0.423800 -7.0372E+00 -2.1579E+00 -1.8266E+01 O6 1576 15.999400 -0.847600 1.2106E+01 -1.0730E+01 1.6015E+01 H1 1577 1.008000 0.423800 1.1399E+01 -1.1274E+01 1.6467E+01 H2 1578 1.008000 0.423800 1.1739E+01 -9.8284E+00 1.5788E+01 O6 1579 15.999400 -0.847600 -1.5822E+01 -1.0359E+01 4.1021E+00 H1 1580 1.008000 0.423800 -1.6004E+01 -1.1281E+01 3.7597E+00 H2 1581 1.008000 0.423800 -1.5032E+01 -1.0381E+01 4.7145E+00 O6 1582 15.999400 -0.847600 -1.1928E+01 -3.7743E+00 1.1164E+01 H1 1583 1.008000 0.423800 -1.2204E+01 -2.8975E+00 1.0771E+01 H2 1584 1.008000 0.423800 -1.2717E+01 -4.3869E+00 1.1201E+01 O6 1585 15.999400 -0.847600 2.2333E+00 -1.0689E+01 -1.8865E+01 H1 1586 1.008000 0.423800 2.5330E+00 -1.1088E+01 1.9366E+01 H2 1587 1.008000 0.423800 2.7951E+00 -9.8890E+00 -1.8654E+01 O6 1588 15.999400 -0.847600 1.3052E+01 8.4494E-01 5.4101E+00 H1 1589 1.008000 0.423800 1.3980E+01 7.2835E-01 5.0546E+00 H2 1590 1.008000 0.423800 1.2753E+01 1.7867E+00 5.2572E+00 O6 1591 15.999400 -0.847600 -1.0733E+01 -1.1761E+01 -1.3495E+01 H1 1592 1.008000 0.423800 -1.0111E+01 -1.2201E+01 -1.4143E+01 H2 1593 1.008000 0.423800 -1.0594E+01 -1.2148E+01 -1.2584E+01 O6 1594 15.999400 -0.847600 2.3199E-01 2.6279E+00 1.2773E+01 H1 1595 1.008000 0.423800 -5.2958E-01 2.6824E+00 1.3419E+01 H2 1596 1.008000 0.423800 1.0925E+00 2.7818E+00 1.3259E+01 O6 1597 15.999400 -0.847600 1.9352E+01 2.5243E+00 1.0504E+01 H1 1598 1.008000 0.423800 1.8673E+01 1.8391E+00 1.0767E+01 H2 1599 1.008000 0.423800 1.8973E+01 3.1133E+00 9.7910E+00 O6 1600 15.999400 -0.847600 9.4971E+00 -3.9447E+00 1.6209E+01 H1 1601 1.008000 0.423800 9.2863E+00 -4.6900E+00 1.6841E+01 H2 1602 1.008000 0.423800 9.4048E+00 -4.2702E+00 1.5268E+01 O6 1603 15.999400 -0.847600 -1.8883E+01 -6.0850E+00 -1.2242E+01 H1 1604 1.008000 0.423800 -1.9197E+01 -6.9844E+00 -1.2546E+01 H2 1605 1.008000 0.423800 -1.9007E+01 -6.0062E+00 -1.1253E+01 O6 1606 15.999400 -0.847600 -3.3917E+00 9.8031E+00 8.5022E+00 H1 1607 1.008000 0.423800 -4.3800E+00 9.6505E+00 8.4945E+00 H2 1608 1.008000 0.423800 -3.1306E+00 1.0252E+01 9.3565E+00 O6 1609 15.999400 -0.847600 -1.6504E+01 6.3032E+00 8.3835E+00 H1 1610 1.008000 0.423800 -1.7246E+01 6.7771E+00 8.8576E+00 H2 1611 1.008000 0.423800 -1.6887E+01 5.7005E+00 7.6835E+00 O6 1612 15.999400 -0.847600 -2.1015E+00 -1.1402E+01 -9.4078E+00 H1 1613 1.008000 0.423800 -1.5098E+00 -1.1957E+01 -9.9926E+00 H2 1614 1.008000 0.423800 -2.0297E+00 -1.0442E+01 -9.6768E+00 O6 1615 15.999400 -0.847600 -8.2148E-01 -1.6715E+01 1.7880E+01 H1 1616 1.008000 0.423800 1.4017E-01 -1.6531E+01 1.8083E+01 H2 1617 1.008000 0.423800 -9.0392E-01 -1.7062E+01 1.6945E+01 O6 1618 15.999400 -0.847600 1.0792E+01 9.5932E+00 -4.0687E+00 H1 1619 1.008000 0.423800 1.1784E+01 9.6922E+00 -3.9935E+00 H2 1620 1.008000 0.423800 1.0573E+01 8.6786E+00 -4.4086E+00 O6 1621 15.999400 -0.847600 -1.3715E+01 -1.8613E+01 -8.4195E+00 H1 1622 1.008000 0.423800 -1.3098E+01 -1.8194E+01 -9.0854E+00 H2 1623 1.008000 0.423800 -1.4662E+01 -1.8425E+01 -8.6790E+00 O6 1624 15.999400 -0.847600 -2.1439E+00 1.2957E+01 -1.5915E+01 H1 1625 1.008000 0.423800 -1.8023E+00 1.2534E+01 -1.6754E+01 H2 1626 1.008000 0.423800 -3.1344E+00 1.2832E+01 -1.5858E+01 O6 1627 15.999400 -0.847600 7.0259E+00 4.1196E+00 1.4852E+01 H1 1628 1.008000 0.423800 7.7766E+00 3.4626E+00 1.4922E+01 H2 1629 1.008000 0.423800 7.3484E+00 5.0250E+00 1.5128E+01 O6 1630 15.999400 -0.847600 -6.4536E+00 -1.1503E+01 1.6968E+01 H1 1631 1.008000 0.423800 -6.0039E+00 -1.2309E+01 1.7352E+01 H2 1632 1.008000 0.423800 -7.2819E+00 -1.1302E+01 1.7491E+01 O6 1633 15.999400 -0.847600 -4.8773E-01 8.3761E+00 1.7337E+01 H1 1634 1.008000 0.423800 -1.4589E+00 8.5643E+00 1.7190E+01 H2 1635 1.008000 0.423800 -1.9283E-01 7.6471E+00 1.6719E+01 O6 1636 15.999400 -0.847600 -7.0724E+00 -1.6625E+01 -1.9480E+01 H1 1637 1.008000 0.423800 -7.6574E+00 -1.6060E+01 -1.8899E+01 H2 1638 1.008000 0.423800 -7.0793E+00 -1.7567E+01 -1.9144E+01 O6 1639 15.999400 -0.847600 -1.9511E+00 -1.8169E+01 2.5005E+00 H1 1640 1.008000 0.423800 -2.1324E+00 -1.7225E+01 2.2245E+00 H2 1641 1.008000 0.423800 -2.0171E+00 -1.8768E+01 1.7025E+00 O6 1642 15.999400 -0.847600 -5.7219E+00 7.9703E+00 1.9399E+01 H1 1643 1.008000 0.423800 -6.4380E+00 8.6364E+00 -1.9489E+01 H2 1644 1.008000 0.423800 -5.0281E+00 8.3978E+00 1.8820E+01 O6 1645 15.999400 -0.847600 1.4183E+01 1.7437E+01 -1.2094E+01 H1 1646 1.008000 0.423800 1.3539E+01 1.7660E+01 -1.2825E+01 H2 1647 1.008000 0.423800 1.4783E+01 1.6695E+01 -1.2393E+01 O6 1648 15.999400 -0.847600 -9.6903E+00 -9.3624E+00 -1.6780E+01 H1 1649 1.008000 0.423800 -1.0560E+01 -9.8485E+00 -1.6871E+01 H2 1650 1.008000 0.423800 -9.6004E+00 -8.6985E+00 -1.7522E+01 O6 1651 15.999400 -0.847600 -3.3204E+00 7.5300E+00 1.0466E+01 H1 1652 1.008000 0.423800 -2.7919E+00 7.8720E+00 1.1244E+01 H2 1653 1.008000 0.423800 -3.2117E+00 8.1512E+00 9.6903E+00 O6 1654 15.999400 -0.847600 -1.3360E+01 -3.9934E+00 1.5620E+01 H1 1655 1.008000 0.423800 -1.4128E+01 -3.9460E+00 1.4981E+01 H2 1656 1.008000 0.423800 -1.3697E+01 -3.8827E+00 1.6555E+01 O6 1657 15.999400 -0.847600 -3.2814E+00 4.4612E+00 -1.0803E+01 H1 1658 1.008000 0.423800 -3.5876E+00 3.8414E+00 -1.1525E+01 H2 1659 1.008000 0.423800 -3.1225E+00 3.9416E+00 -9.9632E+00 O6 1660 15.999400 -0.847600 -1.3102E+01 -1.1251E+01 5.9327E+00 H1 1661 1.008000 0.423800 -1.2762E+01 -1.2186E+01 6.0333E+00 H2 1662 1.008000 0.423800 -1.2535E+01 -1.0630E+01 6.4738E+00 O6 1663 15.999400 -0.847600 -2.2527E+00 1.0626E+01 -9.6393E+00 H1 1664 1.008000 0.423800 -2.3370E+00 1.1616E+01 -9.5326E+00 H2 1665 1.008000 0.423800 -3.1551E+00 1.0203E+01 -9.5544E+00 O6 1666 15.999400 -0.847600 -1.9243E+01 1.1843E+01 1.1595E+01 H1 1667 1.008000 0.423800 1.9226E+01 1.1165E+01 1.1215E+01 H2 1668 1.008000 0.423800 -1.9156E+01 1.2610E+01 1.0959E+01 O6 1669 15.999400 -0.847600 -7.3230E+00 1.9040E+01 5.8519E+00 H1 1670 1.008000 0.423800 -7.6923E+00 1.8118E+01 5.7359E+00 H2 1671 1.008000 0.423800 -6.4230E+00 1.9095E+01 5.4194E+00 O6 1672 15.999400 -0.847600 6.1172E+00 -4.9932E+00 2.6477E+00 H1 1673 1.008000 0.423800 6.5491E+00 -5.0052E+00 3.5495E+00 H2 1674 1.008000 0.423800 5.1733E+00 -5.3140E+00 2.7259E+00 O6 1675 15.999400 -0.847600 7.5350E+00 -2.0361E-01 -1.8722E+01 H1 1676 1.008000 0.423800 7.6060E+00 4.4743E-01 -1.9478E+01 H2 1677 1.008000 0.423800 7.2634E+00 2.8001E-01 -1.7890E+01 O6 1678 15.999400 -0.847600 1.3870E+01 1.3492E+01 1.6628E+01 H1 1679 1.008000 0.423800 1.3239E+01 1.2967E+01 1.6057E+01 H2 1680 1.008000 0.423800 1.3805E+01 1.3175E+01 1.7574E+01 O6 1681 15.999400 -0.847600 -1.7800E+00 -1.7227E+01 -2.9631E+00 H1 1682 1.008000 0.423800 -2.2326E+00 -1.7084E+01 -2.0828E+00 H2 1683 1.008000 0.423800 -1.9111E+00 -1.8174E+01 -3.2560E+00 O6 1684 15.999400 -0.847600 -1.6779E+01 -5.9785E+00 -1.4243E+01 H1 1685 1.008000 0.423800 -1.6038E+01 -5.3073E+00 -1.4260E+01 H2 1686 1.008000 0.423800 -1.7372E+01 -5.8003E+00 -1.3458E+01 O6 1687 15.999400 -0.847600 1.2419E+01 7.1193E+00 4.6011E+00 H1 1688 1.008000 0.423800 1.2474E+01 8.0699E+00 4.2954E+00 H2 1689 1.008000 0.423800 1.3107E+01 6.5748E+00 4.1219E+00 O6 1690 15.999400 -0.847600 -3.0025E+00 1.8931E+01 -1.0497E+01 H1 1691 1.008000 0.423800 -2.7792E+00 -1.9207E+01 -1.0326E+01 H2 1692 1.008000 0.423800 -2.2408E+00 1.8491E+01 -1.0973E+01 O6 1693 15.999400 -0.847600 1.7736E+01 -1.5997E+01 -3.7706E-01 H1 1694 1.008000 0.423800 1.7737E+01 -1.6447E+01 5.1583E-01 H2 1695 1.008000 0.423800 1.8583E+01 -1.5478E+01 -4.8936E-01 O6 1696 15.999400 -0.847600 -1.8613E+01 1.3682E+01 -1.2509E+01 H1 1697 1.008000 0.423800 -1.8871E+01 1.4596E+01 -1.2196E+01 H2 1698 1.008000 0.423800 -1.8251E+01 1.3156E+01 -1.1739E+01 O6 1699 15.999400 -0.847600 -1.2033E+01 1.8550E+01 -1.5550E+01 H1 1700 1.008000 0.423800 -1.2401E+01 1.8443E+01 -1.6473E+01 H2 1701 1.008000 0.423800 -1.2185E+01 1.9488E+01 -1.5237E+01 O6 1702 15.999400 -0.847600 9.1908E+00 1.1944E+01 -1.8304E+01 H1 1703 1.008000 0.423800 9.3669E+00 1.2874E+01 -1.7983E+01 H2 1704 1.008000 0.423800 8.3226E+00 1.1921E+01 -1.8799E+01 O6 1705 15.999400 -0.847600 1.3004E+01 -5.5909E+00 1.7735E+01 H1 1706 1.008000 0.423800 1.3412E+01 -5.9618E+00 1.6900E+01 H2 1707 1.008000 0.423800 1.2910E+01 -6.3203E+00 1.8412E+01 O6 1708 15.999400 -0.847600 1.7329E+01 7.1316E+00 7.1691E+00 H1 1709 1.008000 0.423800 1.7699E+01 7.7989E+00 7.8159E+00 H2 1710 1.008000 0.423800 1.6360E+01 7.3197E+00 7.0134E+00 O6 1711 15.999400 -0.847600 -1.9191E+01 1.7833E+01 1.1318E+01 H1 1712 1.008000 0.423800 -1.8573E+01 1.8411E+01 1.1851E+01 H2 1713 1.008000 0.423800 1.9037E+01 1.7739E+01 1.1802E+01 O6 1714 15.999400 -0.847600 -1.8866E+01 -1.4658E+01 -5.4382E-01 H1 1715 1.008000 0.423800 -1.8296E+01 -1.4167E+01 1.1442E-01 H2 1716 1.008000 0.423800 -1.8859E+01 -1.4174E+01 -1.4185E+00 O6 1717 15.999400 -0.847600 7.5502E+00 -6.4235E+00 -1.8210E+01 H1 1718 1.008000 0.423800 7.1868E+00 -5.5261E+00 -1.7960E+01 H2 1719 1.008000 0.423800 8.3078E+00 -6.6579E+00 -1.7601E+01 O6 1720 15.999400 -0.847600 -1.5490E+01 1.8438E+01 6.1199E+00 H1 1721 1.008000 0.423800 -1.4806E+01 1.8132E+01 5.4569E+00 H2 1722 1.008000 0.423800 -1.5894E+01 1.7643E+01 6.5727E+00 O6 1723 15.999400 -0.847600 1.1140E+01 1.2533E+01 1.0783E+01 H1 1724 1.008000 0.423800 1.0242E+01 1.2310E+01 1.0401E+01 H2 1725 1.008000 0.423800 1.1338E+01 1.3500E+01 1.0626E+01 O6 1726 15.999400 -0.847600 -1.6643E+00 -1.8165E+00 9.6966E+00 H1 1727 1.008000 0.423800 -2.4853E+00 -1.5886E+00 9.1731E+00 H2 1728 1.008000 0.423800 -1.4933E+00 -1.1028E+00 1.0376E+01 O6 1729 15.999400 -0.847600 1.1046E+01 1.9310E+01 1.1884E+01 H1 1730 1.008000 0.423800 1.1144E+01 1.8421E+01 1.2332E+01 H2 1731 1.008000 0.423800 1.1153E+01 1.9199E+01 1.0896E+01 O6 1732 15.999400 -0.847600 -2.6213E+00 5.4922E+00 8.2659E+00 H1 1733 1.008000 0.423800 -2.8020E+00 6.3107E+00 8.8113E+00 H2 1734 1.008000 0.423800 -3.4408E+00 5.2503E+00 7.7464E+00 O6 1735 15.999400 -0.847600 -1.9436E+01 -1.9049E+01 1.4358E+00 H1 1736 1.008000 0.423800 -1.9269E+01 1.9093E+01 1.1929E+00 H2 1737 1.008000 0.423800 -1.9177E+01 -1.8898E+01 2.3897E+00 O6 1738 15.999400 -0.847600 -7.3499E+00 1.8919E+01 -1.0772E+01 H1 1739 1.008000 0.423800 -7.5360E+00 1.8425E+01 -9.9219E+00 H2 1740 1.008000 0.423800 -8.1324E+00 1.9498E+01 -1.0999E+01 O6 1741 15.999400 -0.847600 3.3282E+00 -6.9058E+00 -1.2582E+01 H1 1742 1.008000 0.423800 2.3300E+00 -6.8596E+00 -1.2620E+01 H2 1743 1.008000 0.423800 3.6545E+00 -7.5960E+00 -1.3228E+01 O6 1744 15.999400 -0.847600 1.7014E+01 -1.7998E+01 -1.6094E+01 H1 1745 1.008000 0.423800 1.7421E+01 -1.8444E+01 -1.5296E+01 H2 1746 1.008000 0.423800 1.6343E+01 -1.8611E+01 -1.6511E+01 O6 1747 15.999400 -0.847600 6.2558E+00 8.2651E+00 1.4032E+01 H1 1748 1.008000 0.423800 6.4706E+00 7.6245E+00 1.4769E+01 H2 1749 1.008000 0.423800 7.0764E+00 8.4314E+00 1.3486E+01 O6 1750 15.999400 -0.847600 5.2950E+00 7.6140E-01 1.3453E+01 H1 1751 1.008000 0.423800 5.1888E+00 6.2248E-01 1.2469E+01 H2 1752 1.008000 0.423800 4.5085E+00 3.7086E-01 1.3932E+01 O6 1753 15.999400 -0.847600 1.7791E+01 -7.1543E+00 -1.9269E+01 H1 1754 1.008000 0.423800 1.7032E+01 -7.7731E+00 -1.9472E+01 H2 1755 1.008000 0.423800 1.7435E+01 -6.2363E+00 -1.9095E+01 O6 1756 15.999400 -0.847600 -5.4531E+00 5.4830E+00 -1.8101E+01 H1 1757 1.008000 0.423800 -5.4135E+00 6.3038E+00 -1.8671E+01 H2 1758 1.008000 0.423800 -6.0671E+00 4.8149E+00 -1.8521E+01 O6 1759 15.999400 -0.847600 -5.1282E+00 -1.6262E+01 2.7747E-01 H1 1760 1.008000 0.423800 -5.8924E+00 -1.6762E+01 -1.2978E-01 H2 1761 1.008000 0.423800 -4.2704E+00 -1.6573E+01 -1.3121E-01 O6 1762 15.999400 -0.847600 1.4633E+01 4.6111E+00 1.3537E+01 H1 1763 1.008000 0.423800 1.5553E+01 4.2258E+00 1.3611E+01 H2 1764 1.008000 0.423800 1.4451E+01 5.1943E+00 1.4328E+01 O6 1765 15.999400 -0.847600 -4.6903E+00 3.1766E+00 1.5446E+01 H1 1766 1.008000 0.423800 -4.7578E+00 2.1928E+00 1.5279E+01 H2 1767 1.008000 0.423800 -5.5270E+00 3.6258E+00 1.5132E+01 O6 1768 15.999400 -0.847600 3.9671E+00 -1.8342E+01 1.9526E+01 H1 1769 1.008000 0.423800 3.3623E+00 -1.8433E+01 -1.8780E+01 H2 1770 1.008000 0.423800 3.7862E+00 -1.9083E+01 1.8880E+01 O6 1771 15.999400 -0.847600 1.1578E+00 -3.4759E+00 1.8140E+01 H1 1772 1.008000 0.423800 5.7436E-01 -2.7031E+00 1.8390E+01 H2 1773 1.008000 0.423800 2.0942E+00 -3.2979E+00 1.8442E+01 O6 1774 15.999400 -0.847600 -7.2056E+00 4.6356E+00 1.2043E+01 H1 1775 1.008000 0.423800 -6.6530E+00 5.3806E+00 1.1670E+01 H2 1776 1.008000 0.423800 -6.8061E+00 3.7584E+00 1.1777E+01 O6 1777 15.999400 -0.847600 -1.3764E+01 -4.6308E+00 -7.4441E+00 H1 1778 1.008000 0.423800 -1.4112E+01 -4.9534E+00 -8.3245E+00 H2 1779 1.008000 0.423800 -1.3887E+01 -5.3452E+00 -6.7553E+00 O6 1780 15.999400 -0.847600 -6.8018E-01 8.3854E+00 -9.7911E+00 H1 1781 1.008000 0.423800 -1.3638E+00 9.0402E+00 -1.0113E+01 H2 1782 1.008000 0.423800 2.3520E-01 8.7614E+00 -9.9349E+00 O6 1783 15.999400 -0.847600 -6.8036E+00 1.7584E+01 1.9423E+01 H1 1784 1.008000 0.423800 -5.8455E+00 1.7313E+01 1.9515E+01 H2 1785 1.008000 0.423800 -6.9795E+00 1.7869E+01 1.8480E+01 O6 1786 15.999400 -0.847600 -1.2480E+01 1.1057E+01 -2.9510E+00 H1 1787 1.008000 0.423800 -1.3220E+01 1.1145E+01 -3.6182E+00 H2 1788 1.008000 0.423800 -1.2292E+01 1.0089E+01 -2.7871E+00 O6 1789 15.999400 -0.847600 1.0214E+01 -1.6659E+01 1.7151E+01 H1 1790 1.008000 0.423800 9.5183E+00 -1.5982E+01 1.7393E+01 H2 1791 1.008000 0.423800 1.0568E+01 -1.6460E+01 1.6237E+01 O6 1792 15.999400 -0.847600 -1.2979E+01 1.1292E+01 -8.1443E+00 H1 1793 1.008000 0.423800 -1.2642E+01 1.0468E+01 -7.6893E+00 H2 1794 1.008000 0.423800 -1.3413E+01 1.1891E+01 -7.4707E+00 O6 1795 15.999400 -0.847600 1.7133E+01 -1.6550E+00 -6.8130E+00 H1 1796 1.008000 0.423800 1.7480E+01 -1.3781E+00 -7.7091E+00 H2 1797 1.008000 0.423800 1.6984E+01 -8.4354E-01 -6.2479E+00 O6 1798 15.999400 -0.847600 1.5436E+00 1.0123E+00 3.9755E+00 H1 1799 1.008000 0.423800 8.7793E-01 3.9276E-01 4.3916E+00 H2 1800 1.008000 0.423800 2.2177E+00 1.2865E+00 4.6613E+00 O6 1801 15.999400 -0.847600 1.1473E+00 -1.6277E+01 -1.0850E+01 H1 1802 1.008000 0.423800 1.1634E+00 -1.7264E+01 -1.1012E+01 H2 1803 1.008000 0.423800 3.3513E-01 -1.6040E+01 -1.0317E+01 O6 1804 15.999400 -0.847600 -2.6960E+00 1.6406E+01 -1.2740E+01 H1 1805 1.008000 0.423800 -2.2004E+00 1.5677E+01 -1.3213E+01 H2 1806 1.008000 0.423800 -2.0972E+00 1.6830E+01 -1.2061E+01 O6 1807 15.999400 -0.847600 -3.1959E+00 -6.7284E+00 -1.8892E+00 H1 1808 1.008000 0.423800 -3.2234E+00 -6.1191E+00 -1.0968E+00 H2 1809 1.008000 0.423800 -3.0093E+00 -7.6626E+00 -1.5850E+00 O6 1810 15.999400 -0.847600 5.7474E+00 1.4494E+01 1.3192E+00 H1 1811 1.008000 0.423800 5.0490E+00 1.3779E+01 1.3419E+00 H2 1812 1.008000 0.423800 6.0284E+00 1.4716E+01 2.2530E+00 O6 1813 15.999400 -0.847600 -1.5602E+01 -3.8777E+00 6.2086E+00 H1 1814 1.008000 0.423800 -1.5948E+01 -3.5363E+00 7.0824E+00 H2 1815 1.008000 0.423800 -1.5592E+01 -3.1337E+00 5.5405E+00 O6 1816 15.999400 -0.847600 -2.5523E+00 6.6889E+00 3.1702E+00 H1 1817 1.008000 0.423800 -2.6756E+00 7.2055E+00 2.3228E+00 H2 1818 1.008000 0.423800 -2.2228E+00 5.7696E+00 2.9551E+00 O6 1819 15.999400 -0.847600 1.3343E+01 5.2326E+00 1.5965E+01 H1 1820 1.008000 0.423800 1.3255E+01 6.2075E+00 1.5760E+01 H2 1821 1.008000 0.423800 1.2435E+01 4.8423E+00 1.6121E+01 O6 1822 15.999400 -0.847600 1.8047E+01 -7.7128E-01 -9.0184E+00 H1 1823 1.008000 0.423800 1.8309E+01 -1.2399E+00 -9.8621E+00 H2 1824 1.008000 0.423800 1.8569E+01 7.7424E-02 -8.9327E+00 O6 1825 15.999400 -0.847600 1.2247E+01 3.0111E+00 7.3573E+00 H1 1826 1.008000 0.423800 1.2887E+01 3.1297E+00 8.1159E+00 H2 1827 1.008000 0.423800 1.1744E+01 2.1548E+00 7.4763E+00 O6 1828 15.999400 -0.847600 -5.0726E-01 -4.2755E+00 -6.4097E-01 H1 1829 1.008000 0.423800 -7.2482E-01 -3.7953E+00 -1.4908E+00 H2 1830 1.008000 0.423800 -2.4234E-02 -3.6559E+00 -2.2330E-02 O6 1831 15.999400 -0.847600 -1.5687E+01 4.2819E+00 -1.9482E+01 H1 1832 1.008000 0.423800 -1.6103E+01 4.0605E+00 -1.8600E+01 H2 1833 1.008000 0.423800 -1.5234E+01 5.1716E+00 -1.9423E+01 O6 1834 15.999400 -0.847600 3.8803E+00 1.5990E+01 8.8416E+00 H1 1835 1.008000 0.423800 3.4738E+00 1.6336E+01 9.6871E+00 H2 1836 1.008000 0.423800 4.4902E+00 1.6682E+01 8.4569E+00 O6 1837 15.999400 -0.847600 -1.3446E+01 -1.9066E+01 -1.1909E+01 H1 1838 1.008000 0.423800 -1.3356E+01 -1.8070E+01 -1.1874E+01 H2 1839 1.008000 0.423800 -1.2547E+01 -1.9476E+01 -1.2060E+01 O6 1840 15.999400 -0.847600 -2.1455E+00 5.0377E+00 -4.8136E+00 H1 1841 1.008000 0.423800 -1.9670E+00 6.0216E+00 -4.8240E+00 H2 1842 1.008000 0.423800 -2.5504E+00 4.7817E+00 -3.9359E+00 O6 1843 15.999400 -0.847600 1.3865E+01 6.3298E+00 7.3206E-01 H1 1844 1.008000 0.423800 1.3807E+01 7.3281E+00 7.1847E-01 H2 1845 1.008000 0.423800 1.3117E+01 5.9596E+00 1.2824E+00 O6 1846 15.999400 -0.847600 -1.8010E+01 7.8678E+00 -1.6496E+01 H1 1847 1.008000 0.423800 -1.7273E+01 8.5168E+00 -1.6305E+01 H2 1848 1.008000 0.423800 -1.7752E+01 7.2904E+00 -1.7271E+01 O6 1849 15.999400 -0.847600 -1.8746E+01 2.8055E+00 -9.3042E+00 H1 1850 1.008000 0.423800 -1.8077E+01 3.4476E+00 -8.9304E+00 H2 1851 1.008000 0.423800 -1.8344E+01 1.8905E+00 -9.3434E+00 O6 1852 15.999400 -0.847600 1.9056E+01 5.9333E+00 5.4244E+00 H1 1853 1.008000 0.423800 1.8253E+01 6.4045E+00 5.7904E+00 H2 1854 1.008000 0.423800 1.8954E+01 5.8205E+00 4.4360E+00 O6 1855 15.999400 -0.847600 1.8521E+01 -1.6841E+01 -8.6254E+00 H1 1856 1.008000 0.423800 1.8659E+01 -1.7743E+01 -8.2160E+00 H2 1857 1.008000 0.423800 1.8524E+01 -1.6145E+01 -7.9072E+00 O6 1858 15.999400 -0.847600 8.0842E+00 -1.1584E+01 1.0801E+01 H1 1859 1.008000 0.423800 8.8737E+00 -1.1031E+01 1.1066E+01 H2 1860 1.008000 0.423800 8.2625E+00 -1.2017E+01 9.9174E+00 O6 1861 15.999400 -0.847600 1.5472E+01 -1.4505E+01 1.1717E+01 H1 1862 1.008000 0.423800 1.5749E+01 -1.4616E+01 1.2671E+01 H2 1863 1.008000 0.423800 1.5460E+01 -1.5399E+01 1.1268E+01 O6 1864 15.999400 -0.847600 -1.3467E+01 1.2277E+01 4.8429E+00 H1 1865 1.008000 0.423800 -1.2710E+01 1.2247E+01 5.4962E+00 H2 1866 1.008000 0.423800 -1.3645E+01 1.1356E+01 4.4968E+00 O6 1867 15.999400 -0.847600 -5.5931E+00 1.9806E+00 8.4267E+00 H1 1868 1.008000 0.423800 -4.6882E+00 2.4032E+00 8.3757E+00 H2 1869 1.008000 0.423800 -5.4965E+00 9.8526E-01 8.4266E+00 O6 1870 15.999400 -0.847600 -2.1722E+00 -2.6024E+00 4.2473E+00 H1 1871 1.008000 0.423800 -2.1059E+00 -3.5793E+00 4.4505E+00 H2 1872 1.008000 0.423800 -2.3142E+00 -2.4751E+00 3.2656E+00 O6 1873 15.999400 -0.847600 -6.9347E+00 -1.7621E+01 -1.5094E+00 H1 1874 1.008000 0.423800 -7.6830E+00 -1.7836E+01 -8.8191E-01 H2 1875 1.008000 0.423800 -6.6895E+00 -1.8439E+01 -2.0292E+00 O6 1876 15.999400 -0.847600 -4.8235E+00 -1.9266E+01 8.5934E+00 H1 1877 1.008000 0.423800 -4.4861E+00 -1.9526E+01 9.4983E+00 H2 1878 1.008000 0.423800 -5.6217E+00 1.9275E+01 8.3631E+00 O6 1879 15.999400 -0.847600 -3.5745E+00 1.9105E+00 4.9977E+00 H1 1880 1.008000 0.423800 -2.8777E+00 1.9913E+00 5.7104E+00 H2 1881 1.008000 0.423800 -3.9538E+00 9.8528E-01 5.0058E+00 O6 1882 15.999400 -0.847600 9.9388E+00 -7.1115E+00 -1.1910E+01 H1 1883 1.008000 0.423800 9.6548E+00 -8.0697E+00 -1.1944E+01 H2 1884 1.008000 0.423800 9.6796E+00 -6.7184E+00 -1.1028E+01 O6 1885 15.999400 -0.847600 -1.6469E+01 3.4831E+00 4.8668E+00 H1 1886 1.008000 0.423800 -1.5478E+01 3.5518E+00 4.9787E+00 H2 1887 1.008000 0.423800 -1.6754E+01 4.0304E+00 4.0800E+00 O6 1888 15.999400 -0.847600 -1.0363E+01 -1.2412E+01 -1.0663E+01 H1 1889 1.008000 0.423800 -9.9065E+00 -1.3013E+01 -1.0007E+01 H2 1890 1.008000 0.423800 -1.0477E+01 -1.1504E+01 -1.0260E+01 O6 1891 15.999400 -0.847600 -1.7476E+01 -8.3418E+00 3.6939E+00 H1 1892 1.008000 0.423800 -1.6899E+01 -7.5253E+00 3.6718E+00 H2 1893 1.008000 0.423800 -1.6905E+01 -9.1491E+00 3.8444E+00 O6 1894 15.999400 -0.847600 9.6437E-01 7.1247E+00 2.6425E+00 H1 1895 1.008000 0.423800 7.2755E-01 6.5982E+00 3.4590E+00 H2 1896 1.008000 0.423800 1.5852E+00 7.8675E+00 2.8933E+00 O6 1897 15.999400 -0.847600 1.7026E+01 8.3078E-01 -5.7614E+00 H1 1898 1.008000 0.423800 1.6766E+01 1.3524E+00 -4.9489E+00 H2 1899 1.008000 0.423800 1.7466E+01 1.4396E+00 -6.4215E+00 O6 1900 15.999400 -0.847600 -1.5139E+01 -4.5469E+00 -9.8997E+00 H1 1901 1.008000 0.423800 -1.6005E+01 -5.0223E+00 -9.7425E+00 H2 1902 1.008000 0.423800 -1.5322E+01 -3.5989E+00 -1.0160E+01 O6 1903 15.999400 -0.847600 -1.0066E+01 -1.8517E+01 -1.3396E+01 H1 1904 1.008000 0.423800 -1.0508E+01 -1.7815E+01 -1.3954E+01 H2 1905 1.008000 0.423800 -9.9159E+00 -1.9337E+01 -1.3947E+01 O6 1906 15.999400 -0.847600 5.7670E+00 1.0811E+01 -1.3833E+01 H1 1907 1.008000 0.423800 6.1993E+00 1.0107E+01 -1.4397E+01 H2 1908 1.008000 0.423800 6.4071E+00 1.1111E+01 -1.3125E+01 O6 1909 15.999400 -0.847600 2.8725E-01 -3.6073E+00 1.5292E+01 H1 1910 1.008000 0.423800 -9.9467E-02 -4.5291E+00 1.5262E+01 H2 1911 1.008000 0.423800 6.2944E-01 -3.4190E+00 1.6213E+01 O6 1912 15.999400 -0.847600 -9.1140E+00 1.3919E+01 5.7202E-01 H1 1913 1.008000 0.423800 -8.9269E+00 1.4875E+01 3.4728E-01 H2 1914 1.008000 0.423800 -9.9116E+00 1.3868E+01 1.1730E+00 O6 1915 15.999400 -0.847600 1.0967E+01 -8.1473E+00 2.8325E-01 H1 1916 1.008000 0.423800 1.0844E+01 -8.9857E+00 -2.4797E-01 H2 1917 1.008000 0.423800 1.1802E+01 -8.2171E+00 8.2837E-01 O6 1918 15.999400 -0.847600 -1.4661E+01 7.9921E+00 -4.7618E-02 H1 1919 1.008000 0.423800 -1.5305E+01 8.7557E+00 -9.7559E-02 H2 1920 1.008000 0.423800 -1.4226E+01 7.9816E+00 8.5258E-01 O6 1921 15.999400 -0.847600 -4.1901E+00 -3.5128E-01 -1.6640E+01 H1 1922 1.008000 0.423800 -3.9965E+00 -3.1530E-01 -1.5660E+01 H2 1923 1.008000 0.423800 -4.6338E+00 4.9888E-01 -1.6924E+01 O6 1924 15.999400 -0.847600 4.3312E+00 1.4868E+01 -1.0071E+01 H1 1925 1.008000 0.423800 5.0232E+00 1.4708E+01 -9.3674E+00 H2 1926 1.008000 0.423800 3.4838E+00 1.5179E+01 -9.6411E+00 O6 1927 15.999400 -0.847600 1.2233E+01 1.1410E+01 1.2997E+01 H1 1928 1.008000 0.423800 1.2963E+01 1.1875E+01 1.3498E+01 H2 1929 1.008000 0.423800 1.1951E+01 1.1973E+01 1.2220E+01 O6 1930 15.999400 -0.847600 1.4032E+01 -1.7542E+01 -7.7512E+00 H1 1931 1.008000 0.423800 1.3220E+01 -1.8121E+01 -7.6778E+00 H2 1932 1.008000 0.423800 1.4363E+01 -1.7313E+01 -6.8354E+00 O6 1933 15.999400 -0.847600 -1.6149E+00 5.6687E+00 1.4009E+01 H1 1934 1.008000 0.423800 -8.1972E-01 6.0101E+00 1.3508E+01 H2 1935 1.008000 0.423800 -1.5559E+00 4.6738E+00 1.4090E+01 O6 1936 15.999400 -0.847600 1.6385E+01 -1.6328E+00 1.6304E+01 H1 1937 1.008000 0.423800 1.6989E+01 -1.9078E+00 1.5557E+01 H2 1938 1.008000 0.423800 1.6216E+01 -6.4858E-01 1.6252E+01 O6 1939 15.999400 -0.847600 8.8344E+00 -1.1419E+01 -4.1771E-01 H1 1940 1.008000 0.423800 8.2106E+00 -1.1142E+01 3.1304E-01 H2 1941 1.008000 0.423800 8.3673E+00 -1.2057E+01 -1.0307E+00 O6 1942 15.999400 -0.847600 1.6758E+00 -1.5410E+01 -1.7491E+01 H1 1943 1.008000 0.423800 1.0922E+00 -1.4618E+01 -1.7671E+01 H2 1944 1.008000 0.423800 2.2875E+00 -1.5206E+01 -1.6727E+01 O6 1945 15.999400 -0.847600 9.8704E+00 8.2203E+00 1.5480E+01 H1 1946 1.008000 0.423800 9.7476E+00 9.1429E+00 1.5114E+01 H2 1947 1.008000 0.423800 9.8679E+00 7.5607E+00 1.4728E+01 O6 1948 15.999400 -0.847600 -1.7633E-01 1.4838E+01 6.4199E+00 H1 1949 1.008000 0.423800 -9.1134E-01 1.5032E+01 7.0698E+00 H2 1950 1.008000 0.423800 -3.9700E-01 1.4011E+01 5.9038E+00 O6 1951 15.999400 -0.847600 1.6533E+01 -1.1969E+01 1.8218E+01 H1 1952 1.008000 0.423800 1.5599E+01 -1.2295E+01 1.8074E+01 H2 1953 1.008000 0.423800 1.6715E+01 -1.1902E+01 1.9199E+01 O6 1954 15.999400 -0.847600 -1.7747E+01 3.4608E+00 2.1624E+00 H1 1955 1.008000 0.423800 -1.8108E+01 4.3805E+00 2.0083E+00 H2 1956 1.008000 0.423800 -1.8501E+01 2.8038E+00 2.1702E+00 O6 1957 15.999400 -0.847600 -1.2630E+01 -1.2535E+00 7.1657E+00 H1 1958 1.008000 0.423800 -1.3570E+01 -9.6436E-01 7.3439E+00 H2 1959 1.008000 0.423800 -1.2437E+01 -2.0928E+00 7.6740E+00 O6 1960 15.999400 -0.847600 -1.2197E+01 9.1561E+00 -1.4324E+01 H1 1961 1.008000 0.423800 -1.2303E+01 9.9489E+00 -1.4925E+01 H2 1962 1.008000 0.423800 -1.2623E+01 9.3481E+00 -1.3440E+01 O6 1963 15.999400 -0.847600 1.2849E+01 1.4286E+01 -1.8056E+01 H1 1964 1.008000 0.423800 1.3760E+01 1.4599E+01 -1.8323E+01 H2 1965 1.008000 0.423800 1.2179E+01 1.4601E+01 -1.8728E+01 O6 1966 15.999400 -0.847600 8.6660E+00 -9.9125E+00 -5.5593E+00 H1 1967 1.008000 0.423800 7.8374E+00 -9.7777E+00 -5.0159E+00 H2 1968 1.008000 0.423800 9.3837E+00 -9.2986E+00 -5.2304E+00 O6 1969 15.999400 -0.847600 -1.7978E+01 9.1432E+00 -9.3544E+00 H1 1970 1.008000 0.423800 -1.8083E+01 8.6930E+00 -8.4676E+00 H2 1971 1.008000 0.423800 -1.7143E+01 9.6931E+00 -9.3518E+00 O6 1972 15.999400 -0.847600 -9.0382E+00 1.1528E+00 -1.5675E+01 H1 1973 1.008000 0.423800 -8.2348E+00 1.0226E+00 -1.6256E+01 H2 1974 1.008000 0.423800 -9.1877E+00 3.3167E-01 -1.5124E+01 O6 1975 15.999400 -0.847600 -7.5853E+00 -4.3208E-01 -3.3409E+00 H1 1976 1.008000 0.423800 -7.3983E+00 -7.9430E-02 -2.4240E+00 H2 1977 1.008000 0.423800 -7.6436E+00 -1.4299E+00 -3.3087E+00 O6 1978 15.999400 -0.847600 1.5889E+01 4.1851E+00 -1.7407E+01 H1 1979 1.008000 0.423800 1.5543E+01 3.5179E+00 -1.6747E+01 H2 1980 1.008000 0.423800 1.6286E+01 4.9618E+00 -1.6918E+01 O6 1981 15.999400 -0.847600 -9.1269E+00 1.2771E+01 4.4519E+00 H1 1982 1.008000 0.423800 -9.5204E+00 1.2772E+01 3.5325E+00 H2 1983 1.008000 0.423800 -8.1402E+00 1.2922E+01 4.3922E+00 O6 1984 15.999400 -0.847600 2.8560E-01 1.0931E+01 1.7549E+01 H1 1985 1.008000 0.423800 -2.1441E-01 1.1657E+01 1.7078E+01 H2 1986 1.008000 0.423800 -1.9839E-01 1.0063E+01 1.7434E+01 O6 1987 15.999400 -0.847600 1.5800E+01 -1.4959E+00 6.2765E+00 H1 1988 1.008000 0.423800 1.6236E+01 -2.3850E+00 6.1389E+00 H2 1989 1.008000 0.423800 1.6479E+01 -8.3818E-01 6.6026E+00 O6 1990 15.999400 -0.847600 8.7160E+00 1.4765E+01 1.5903E+01 H1 1991 1.008000 0.423800 8.9165E+00 1.5625E+01 1.6373E+01 H2 1992 1.008000 0.423800 7.7880E+00 1.4797E+01 1.5532E+01 O6 1993 15.999400 -0.847600 -1.7086E+01 1.0726E+00 2.2580E-01 H1 1994 1.008000 0.423800 -1.7389E+01 2.0177E+00 3.4640E-01 H2 1995 1.008000 0.423800 -1.7845E+01 4.5146E-01 4.1717E-01 O6 1996 15.999400 -0.847600 -8.5153E+00 -3.1241E+00 -1.5626E+01 H1 1997 1.008000 0.423800 -7.8783E+00 -3.5600E+00 -1.4990E+01 H2 1998 1.008000 0.423800 -9.1023E+00 -3.8203E+00 -1.6039E+01 O6 1999 15.999400 -0.847600 -5.9107E+00 7.3583E+00 -1.5994E+01 H1 2000 1.008000 0.423800 -6.8403E+00 7.1435E+00 -1.5695E+01 H2 2001 1.008000 0.423800 -5.6631E+00 6.7675E+00 -1.6762E+01 O6 2002 15.999400 -0.847600 -1.4412E+01 -1.8813E+01 -1.7552E+00 H1 2003 1.008000 0.423800 -1.4312E+01 1.9296E+01 -1.8680E+00 H2 2004 1.008000 0.423800 -1.5126E+01 -1.8626E+01 -1.0811E+00 O6 2005 15.999400 -0.847600 4.5557E+00 -6.0481E+00 4.9223E+00 H1 2006 1.008000 0.423800 5.0865E+00 -5.8173E+00 5.7378E+00 H2 2007 1.008000 0.423800 3.9636E+00 -6.8292E+00 5.1202E+00 O6 2008 15.999400 -0.847600 1.2302E+01 2.8488E+00 -1.2448E+01 H1 2009 1.008000 0.423800 1.2314E+01 1.9213E+00 -1.2075E+01 H2 2010 1.008000 0.423800 1.2009E+01 3.4900E+00 -1.1739E+01 O6 2011 15.999400 -0.847600 1.5724E+01 -4.1330E+00 8.7662E+00 H1 2012 1.008000 0.423800 1.5928E+01 -4.2503E+00 7.7943E+00 H2 2013 1.008000 0.423800 1.5952E+01 -3.1999E+00 9.0444E+00 O6 2014 15.999400 -0.847600 1.6456E+01 -1.7128E+01 1.7785E+01 H1 2015 1.008000 0.423800 1.6806E+01 -1.8041E+01 1.7997E+01 H2 2016 1.008000 0.423800 1.6068E+01 -1.6720E+01 1.8611E+01 O6 2017 15.999400 -0.847600 1.6582E+01 -9.1975E+00 1.1306E+01 H1 2018 1.008000 0.423800 1.7270E+01 -9.7833E+00 1.1733E+01 H2 2019 1.008000 0.423800 1.7014E+01 -8.6335E+00 1.0603E+01 O6 2020 15.999400 -0.847600 -1.4849E+01 5.3576E+00 -8.0022E-01 H1 2021 1.008000 0.423800 -1.4674E+01 6.3322E+00 -6.5981E-01 H2 2022 1.008000 0.423800 -1.4837E+01 4.8865E+00 8.1708E-02 O6 2023 15.999400 -0.847600 1.0318E+01 1.3999E+01 -4.3640E+00 H1 2024 1.008000 0.423800 1.1256E+01 1.3726E+01 -4.5814E+00 H2 2025 1.008000 0.423800 1.0333E+01 1.4707E+01 -3.6580E+00 O6 2026 15.999400 -0.847600 7.8173E+00 -8.0057E-01 -2.9909E+00 H1 2027 1.008000 0.423800 8.0170E+00 -1.5427E+00 -3.6308E+00 H2 2028 1.008000 0.423800 6.9300E+00 -9.6251E-01 -2.5592E+00 O6 2029 15.999400 -0.847600 -9.6886E+00 2.7453E+00 2.9704E-01 H1 2030 1.008000 0.423800 -9.4406E+00 1.9868E+00 8.9963E-01 H2 2031 1.008000 0.423800 -8.9026E+00 3.3535E+00 1.8611E-01 O6 2032 15.999400 -0.847600 1.6403E+01 6.7696E+00 1.4957E+01 H1 2033 1.008000 0.423800 1.6205E+01 6.0641E+00 1.5638E+01 H2 2034 1.008000 0.423800 1.7250E+01 6.5408E+00 1.4477E+01 O6 2035 15.999400 -0.847600 4.9888E+00 3.8696E+00 1.6796E+01 H1 2036 1.008000 0.423800 5.7177E+00 4.0588E+00 1.7454E+01 H2 2037 1.008000 0.423800 5.3897E+00 3.6804E+00 1.5900E+01 O6 2038 15.999400 -0.847600 -9.2326E+00 -1.1902E+01 -5.0942E+00 H1 2039 1.008000 0.423800 -8.6147E+00 -1.1117E+01 -5.0454E+00 H2 2040 1.008000 0.423800 -1.0057E+01 -1.1711E+01 -4.5610E+00 O6 2041 15.999400 -0.847600 1.3968E+00 1.3784E+01 1.0518E+01 H1 2042 1.008000 0.423800 2.0382E+00 1.3487E+01 1.1226E+01 H2 2043 1.008000 0.423800 1.7779E+00 1.3580E+01 9.6165E+00 O6 2044 15.999400 -0.847600 -1.9042E+01 7.1826E+00 -8.8307E-01 H1 2045 1.008000 0.423800 -1.8817E+01 6.8630E+00 3.7380E-02 H2 2046 1.008000 0.423800 1.9206E+01 6.7513E+00 -1.1873E+00 O6 2047 15.999400 -0.847600 9.8383E+00 9.6078E+00 -1.2180E+01 H1 2048 1.008000 0.423800 1.0133E+01 9.0944E+00 -1.1374E+01 H2 2049 1.008000 0.423800 1.0638E+01 9.9937E+00 -1.2640E+01 O6 2050 15.999400 -0.847600 -1.2757E+01 9.0427E-01 -2.1665E+00 H1 2051 1.008000 0.423800 -1.2722E+01 -8.7907E-02 -2.2866E+00 H2 2052 1.008000 0.423800 -1.3685E+01 1.2296E+00 -2.3450E+00 O6 2053 15.999400 -0.847600 -6.0220E+00 -1.4193E+01 -1.1345E+01 H1 2054 1.008000 0.423800 -5.5875E+00 -1.4023E+01 -1.2229E+01 H2 2055 1.008000 0.423800 -6.9821E+00 -1.4435E+01 -1.1486E+01 O6 2056 15.999400 -0.847600 6.6489E+00 -1.3356E+01 -9.0648E+00 H1 2057 1.008000 0.423800 6.9917E+00 -1.3910E+01 -9.8235E+00 H2 2058 1.008000 0.423800 7.0666E+00 -1.3666E+01 -8.2106E+00 O6 2059 15.999400 -0.847600 1.7458E+01 -5.0508E+00 -1.4726E+01 H1 2060 1.008000 0.423800 1.8394E+01 -5.1313E+00 -1.5068E+01 H2 2061 1.008000 0.423800 1.7333E+01 -5.6677E+00 -1.3949E+01 O6 2062 15.999400 -0.847600 1.8700E+01 -4.8737E+00 5.0954E+00 H1 2063 1.008000 0.423800 1.9382E+01 -4.1474E+00 5.0057E+00 H2 2064 1.008000 0.423800 1.8946E+01 -5.6366E+00 4.4973E+00 O6 2065 15.999400 -0.847600 -6.2754E+00 1.0940E+01 1.7411E+01 H1 2066 1.008000 0.423800 -5.5148E+00 1.0953E+01 1.6762E+01 H2 2067 1.008000 0.423800 -5.9199E+00 1.1015E+01 1.8342E+01 O6 2068 15.999400 -0.847600 9.2279E+00 2.3652E+00 1.4987E+01 H1 2069 1.008000 0.423800 9.5820E+00 1.6419E+00 1.5580E+01 H2 2070 1.008000 0.423800 8.8245E+00 1.9570E+00 1.4168E+01 O6 2071 15.999400 -0.847600 -3.3104E+00 9.6441E-01 1.9391E+00 H1 2072 1.008000 0.423800 -3.7073E+00 1.2290E+00 2.8180E+00 H2 2073 1.008000 0.423800 -2.4751E+00 1.4902E+00 1.7789E+00 O6 2074 15.999400 -0.847600 -1.0118E+01 6.7537E+00 1.7901E+01 H1 2075 1.008000 0.423800 -9.4955E+00 7.3668E+00 1.7414E+01 H2 2076 1.008000 0.423800 -9.7793E+00 6.6035E+00 1.8830E+01 O6 2077 15.999400 -0.847600 1.0114E+01 3.6549E+00 1.0649E+01 H1 2078 1.008000 0.423800 1.0927E+01 3.5445E+00 1.1221E+01 H2 2079 1.008000 0.423800 1.0336E+01 4.2305E+00 9.8619E+00 O6 2080 15.999400 -0.847600 -4.9820E+00 9.7411E+00 -9.3437E+00 H1 2081 1.008000 0.423800 -5.2558E+00 1.0383E+01 -8.6278E+00 H2 2082 1.008000 0.423800 -5.5217E+00 9.9110E+00 -1.0168E+01 O6 2083 15.999400 -0.847600 -4.5447E+00 4.8525E-01 1.4949E+01 H1 2084 1.008000 0.423800 -3.6620E+00 1.6369E-01 1.5292E+01 H2 2085 1.008000 0.423800 -5.2332E+00 -2.2788E-01 1.5081E+01 O6 2086 15.999400 -0.847600 -9.5673E+00 2.9945E+00 1.1840E+01 H1 2087 1.008000 0.423800 -1.0158E+01 3.0047E+00 1.2647E+01 H2 2088 1.008000 0.423800 -8.7356E+00 3.5166E+00 1.2030E+01 O6 2089 15.999400 -0.847600 -1.6869E-02 6.2595E+00 9.8421E+00 H1 2090 1.008000 0.423800 -6.7180E-01 6.4759E+00 9.1180E+00 H2 2091 1.008000 0.423800 5.4624E-01 7.0634E+00 1.0033E+01 O6 2092 15.999400 -0.847600 -8.2975E+00 -6.8345E+00 -2.1765E+00 H1 2093 1.008000 0.423800 -9.2829E+00 -6.9401E+00 -2.3109E+00 H2 2094 1.008000 0.423800 -8.1133E+00 -6.6182E+00 -1.2178E+00 O6 2095 15.999400 -0.847600 1.2010E+01 3.3199E+00 4.5373E+00 H1 2096 1.008000 0.423800 1.2072E+01 3.3641E+00 5.5345E+00 H2 2097 1.008000 0.423800 1.1323E+01 3.9719E+00 4.2166E+00 O6 2098 15.999400 -0.847600 -1.7599E+01 1.0314E+01 1.3276E+01 H1 2099 1.008000 0.423800 -1.8389E+01 1.0658E+01 1.2768E+01 H2 2100 1.008000 0.423800 -1.6984E+01 9.8349E+00 1.2650E+01 O6 2101 15.999400 -0.847600 -8.9975E+00 -1.6620E+01 -3.7530E+00 H1 2102 1.008000 0.423800 -8.3877E+00 -1.6907E+01 -3.0143E+00 H2 2103 1.008000 0.423800 -9.3264E+00 -1.5693E+01 -3.5724E+00 O6 2104 15.999400 -0.847600 6.3242E+00 -9.7292E+00 -3.4229E+00 H1 2105 1.008000 0.423800 6.6749E+00 -9.7764E+00 -2.4876E+00 H2 2106 1.008000 0.423800 5.6021E+00 -1.0410E+01 -3.5429E+00 O6 2107 15.999400 -0.847600 9.8360E+00 7.1242E+00 -1.3457E+01 H1 2108 1.008000 0.423800 8.8708E+00 6.8624E+00 -1.3463E+01 H2 2109 1.008000 0.423800 9.9303E+00 8.0393E+00 -1.3065E+01 O6 2110 15.999400 -0.847600 -1.2114E+01 -7.0575E+00 -1.3363E+01 H1 2111 1.008000 0.423800 -1.1795E+01 -6.6700E+00 -1.2498E+01 H2 2112 1.008000 0.423800 -1.1443E+01 -7.7185E+00 -1.3699E+01 O6 2113 15.999400 -0.847600 1.5944E+01 8.9064E+00 -1.8165E+01 H1 2114 1.008000 0.423800 1.5224E+01 9.3974E+00 -1.7675E+01 H2 2115 1.008000 0.423800 1.6632E+01 8.5853E+00 -1.7514E+01 O6 2116 15.999400 -0.847600 -1.0859E+01 1.4468E+01 -1.7307E+01 H1 2117 1.008000 0.423800 -1.0964E+01 1.4007E+01 -1.6426E+01 H2 2118 1.008000 0.423800 -1.0243E+01 1.5249E+01 -1.7204E+01 O6 2119 15.999400 -0.847600 5.7473E+00 -1.8081E+01 -2.7811E+00 H1 2120 1.008000 0.423800 6.2143E+00 -1.8413E+01 -3.6006E+00 H2 2121 1.008000 0.423800 6.1409E+00 -1.7204E+01 -2.5058E+00 O6 2122 15.999400 -0.847600 -6.7401E+00 1.4279E+01 1.4887E+01 H1 2123 1.008000 0.423800 -6.8182E+00 1.3396E+01 1.4424E+01 H2 2124 1.008000 0.423800 -6.3480E+00 1.4951E+01 1.4259E+01 O6 2125 15.999400 -0.847600 8.3933E+00 1.1487E+01 2.8239E+00 H1 2126 1.008000 0.423800 7.4880E+00 1.1071E+01 2.7396E+00 H2 2127 1.008000 0.423800 8.5742E+00 1.2057E+01 2.0220E+00 O6 2128 15.999400 -0.847600 -1.5342E+01 -8.9057E-01 1.4357E+01 H1 2129 1.008000 0.423800 -1.4433E+01 -8.2155E-01 1.4768E+01 H2 2130 1.008000 0.423800 -1.6031E+01 -6.0027E-01 1.5021E+01 O6 2131 15.999400 -0.847600 1.5386E+01 -2.2877E+00 -9.0152E+00 H1 2132 1.008000 0.423800 1.5280E+01 -1.4513E+00 -9.5531E+00 H2 2133 1.008000 0.423800 1.5792E+01 -2.0650E+00 -8.1289E+00 O6 2134 15.999400 -0.847600 -1.5830E+01 1.1218E+01 -9.2058E+00 H1 2135 1.008000 0.423800 -1.5006E+01 1.0707E+01 -8.9619E+00 H2 2136 1.008000 0.423800 -1.6003E+01 1.1920E+01 -8.5148E+00 O6 2137 15.999400 -0.847600 -6.3958E+00 7.0469E+00 1.7325E+00 H1 2138 1.008000 0.423800 -7.2054E+00 7.1866E+00 1.1624E+00 H2 2139 1.008000 0.423800 -6.5554E+00 6.2819E+00 2.3564E+00 O6 2140 15.999400 -0.847600 4.3169E+00 -1.2946E+01 1.0779E+01 H1 2141 1.008000 0.423800 5.1157E+00 -1.3311E+01 1.1258E+01 H2 2142 1.008000 0.423800 4.0811E+00 -1.2051E+01 1.1159E+01 O6 2143 15.999400 -0.847600 1.8978E+01 1.7581E+01 -1.8108E+01 H1 2144 1.008000 0.423800 1.9504E+01 1.7181E+01 -1.7357E+01 H2 2145 1.008000 0.423800 1.9508E+01 1.8316E+01 -1.8531E+01 O6 2146 15.999400 -0.847600 -6.4609E+00 -1.8458E+01 3.2532E+00 H1 2147 1.008000 0.423800 -7.4555E+00 -1.8370E+01 3.3095E+00 H2 2148 1.008000 0.423800 -6.0507E+00 -1.7550E+01 3.1689E+00 O6 2149 15.999400 -0.847600 -4.9616E+00 -1.2073E+01 -1.0012E+01 H1 2150 1.008000 0.423800 -5.3122E+00 -1.2776E+01 -1.0630E+01 H2 2151 1.008000 0.423800 -4.0928E+00 -1.2376E+01 -9.6203E+00 O6 2152 15.999400 -0.847600 4.6088E-01 3.7292E+00 1.0246E+01 H1 2153 1.008000 0.423800 2.6020E-01 3.4179E+00 1.1175E+01 H2 2154 1.008000 0.423800 2.7046E-01 4.7083E+00 1.0174E+01 O6 2155 15.999400 -0.847600 -1.0135E+01 -1.0211E+01 1.1728E+01 H1 2156 1.008000 0.423800 -1.0867E+01 -1.0587E+01 1.1160E+01 H2 2157 1.008000 0.423800 -9.8956E+00 -9.2969E+00 1.1400E+01 O6 2158 15.999400 -0.847600 -9.3232E+00 -1.9317E+01 -1.7252E+01 H1 2159 1.008000 0.423800 -9.5141E+00 1.8801E+01 -1.7187E+01 H2 2160 1.008000 0.423800 -8.3493E+00 -1.9178E+01 -1.7432E+01 O6 2161 15.999400 -0.847600 -3.5438E-01 -1.5316E+00 -9.3535E+00 H1 2162 1.008000 0.423800 -6.8694E-01 -1.7891E+00 -1.0261E+01 H2 2163 1.008000 0.423800 -7.6845E-01 -2.1273E+00 -8.6653E+00 O6 2164 15.999400 -0.847600 -1.1422E+01 9.0860E+00 -7.4553E+00 H1 2165 1.008000 0.423800 -1.1983E+01 8.3633E+00 -7.8598E+00 H2 2166 1.008000 0.423800 -1.1313E+01 8.9141E+00 -6.4763E+00 O6 2167 15.999400 -0.847600 -1.9012E+01 -5.3007E+00 -1.6131E+01 H1 2168 1.008000 0.423800 -1.9259E+01 -5.9559E+00 -1.6845E+01 H2 2169 1.008000 0.423800 -1.8074E+01 -5.4728E+00 -1.5831E+01 O6 2170 15.999400 -0.847600 -9.5359E+00 4.3941E+00 1.6385E+01 H1 2171 1.008000 0.423800 -9.4932E+00 5.2240E+00 1.6941E+01 H2 2172 1.008000 0.423800 -9.4492E+00 3.5920E+00 1.6976E+01 O6 2173 15.999400 -0.847600 -5.7073E+00 6.6470E+00 1.1529E+01 H1 2174 1.008000 0.423800 -4.8155E+00 6.9749E+00 1.1217E+01 H2 2175 1.008000 0.423800 -6.4011E+00 7.3435E+00 1.1345E+01 O6 2176 15.999400 -0.847600 1.5995E+01 1.0435E+01 -1.4774E+01 H1 2177 1.008000 0.423800 1.6797E+01 1.0225E+01 -1.5333E+01 H2 2178 1.008000 0.423800 1.6281E+01 1.0607E+01 -1.3831E+01 O6 2179 15.999400 -0.847600 6.8584E+00 1.1598E+01 -5.4618E+00 H1 2180 1.008000 0.423800 7.7253E+00 1.1894E+01 -5.8628E+00 H2 2181 1.008000 0.423800 6.8733E+00 1.1764E+01 -4.4758E+00 O6 2182 15.999400 -0.847600 5.7069E+00 6.9109E+00 1.0369E+01 H1 2183 1.008000 0.423800 5.0927E+00 7.3139E+00 1.1047E+01 H2 2184 1.008000 0.423800 6.6540E+00 7.0189E+00 1.0671E+01 O6 2185 15.999400 -0.847600 -1.8251E+00 -9.0831E+00 -1.0590E+01 H1 2186 1.008000 0.423800 -1.4294E+00 -8.1836E+00 -1.0404E+01 H2 2187 1.008000 0.423800 -1.2881E+00 -9.5441E+00 -1.1296E+01 O6 2188 15.999400 -0.847600 -1.3042E+00 1.4544E+01 8.0934E-01 H1 2189 1.008000 0.423800 -3.8591E-01 1.4369E+01 1.1645E+00 H2 2190 1.008000 0.423800 -1.7654E+00 1.3674E+01 6.3498E-01 O6 2191 15.999400 -0.847600 -8.6475E-01 -1.4968E+00 1.8416E+01 H1 2192 1.008000 0.423800 -7.1018E-01 -6.7180E-01 1.7872E+01 H2 2193 1.008000 0.423800 -1.3081E+00 -1.2500E+00 1.9278E+01 O6 2194 15.999400 -0.847600 -1.1370E+01 1.5913E+01 1.0067E+01 H1 2195 1.008000 0.423800 -1.1887E+01 1.6601E+01 1.0576E+01 H2 2196 1.008000 0.423800 -1.0704E+01 1.6366E+01 9.4751E+00 O6 2197 15.999400 -0.847600 -4.3207E+00 2.4498E+00 -1.2438E+01 H1 2198 1.008000 0.423800 -5.1395E+00 1.9004E+00 -1.2271E+01 H2 2199 1.008000 0.423800 -4.2082E+00 2.5900E+00 -1.3422E+01 O6 2200 15.999400 -0.847600 -1.1831E+01 1.1022E+01 1.0360E+01 H1 2201 1.008000 0.423800 -1.2764E+01 1.1368E+01 1.0255E+01 H2 2202 1.008000 0.423800 -1.1298E+01 1.1663E+01 1.0911E+01 O6 2203 15.999400 -0.847600 9.6809E+00 -8.4579E+00 7.7464E+00 H1 2204 1.008000 0.423800 9.9934E+00 -9.3996E+00 7.8708E+00 H2 2205 1.008000 0.423800 1.0300E+01 -7.8353E+00 8.2252E+00 O6 2206 15.999400 -0.847600 -9.3296E-01 -1.0477E+01 1.0395E+01 H1 2207 1.008000 0.423800 -9.2485E-01 -1.1429E+01 1.0700E+01 H2 2208 1.008000 0.423800 -1.7952E+00 -1.0048E+01 1.0664E+01 O6 2209 15.999400 -0.847600 1.0606E+01 4.4243E+00 1.6264E+01 H1 2210 1.008000 0.423800 1.0186E+01 4.2928E+00 1.7162E+01 H2 2211 1.008000 0.423800 1.0218E+01 3.7700E+00 1.5615E+01 O6 2212 15.999400 -0.847600 8.5326E+00 7.2052E+00 9.8503E+00 H1 2213 1.008000 0.423800 9.5256E+00 7.1204E+00 9.7679E+00 H2 2214 1.008000 0.423800 8.1295E+00 7.2999E+00 8.9401E+00 O6 2215 15.999400 -0.847600 -8.8949E-01 -1.8335E+01 -1.2663E+01 H1 2216 1.008000 0.423800 -5.0890E-01 -1.7960E+01 -1.3508E+01 H2 2217 1.008000 0.423800 -1.4558E-01 -1.8561E+01 -1.2034E+01 O6 2218 15.999400 -0.847600 -1.2548E+01 -1.0292E+01 -1.1816E+01 H1 2219 1.008000 0.423800 -1.2024E+01 -1.0698E+01 -1.2565E+01 H2 2220 1.008000 0.423800 -1.1963E+01 -1.0204E+01 -1.1010E+01 O6 2221 15.999400 -0.847600 1.7638E+01 1.0115E+01 5.5511E-01 H1 2222 1.008000 0.423800 1.7274E+01 1.0771E+01 1.2160E+00 H2 2223 1.008000 0.423800 1.8239E+01 9.4685E+00 1.0244E+00 O6 2224 15.999400 -0.847600 6.8078E+00 -1.0814E+01 -7.9897E+00 H1 2225 1.008000 0.423800 7.7495E+00 -1.1014E+01 -7.7195E+00 H2 2226 1.008000 0.423800 6.5092E+00 -1.1478E+01 -8.6750E+00 O6 2227 15.999400 -0.847600 3.1228E+00 -5.9970E-01 -1.2328E+01 H1 2228 1.008000 0.423800 3.3947E+00 -1.1551E+00 -1.1542E+01 H2 2229 1.008000 0.423800 2.5646E+00 1.6892E-01 -1.2015E+01 O6 2230 15.999400 -0.847600 -9.7328E+00 7.0754E+00 4.9808E+00 H1 2231 1.008000 0.423800 -9.6993E+00 6.7617E+00 4.0319E+00 H2 2232 1.008000 0.423800 -9.3684E+00 6.3628E+00 5.5804E+00 O6 2233 15.999400 -0.847600 1.8840E+01 1.5056E+01 3.7239E+00 H1 2234 1.008000 0.423800 -1.9402E+01 1.5153E+01 3.2163E+00 H2 2235 1.008000 0.423800 1.8211E+01 1.5788E+01 3.4604E+00 O6 2236 15.999400 -0.847600 -9.6038E+00 -2.5642E+00 -9.8743E+00 H1 2237 1.008000 0.423800 -9.9440E+00 -2.6649E+00 -8.9394E+00 H2 2238 1.008000 0.423800 -8.8186E+00 -3.1682E+00 -1.0010E+01 O6 2239 15.999400 -0.847600 -9.5469E+00 -1.8002E+01 -1.0911E+01 H1 2240 1.008000 0.423800 -1.0397E+01 -1.7810E+01 -1.0420E+01 H2 2241 1.008000 0.423800 -9.7608E+00 -1.8379E+01 -1.1813E+01 O6 2242 15.999400 -0.847600 1.8419E+01 4.5082E+00 8.5611E+00 H1 2243 1.008000 0.423800 1.7888E+01 4.8470E+00 7.7845E+00 H2 2244 1.008000 0.423800 1.9316E+01 4.2007E+00 8.2430E+00 O6 2245 15.999400 -0.847600 -1.4830E+00 1.8363E+00 -4.0385E+00 H1 2246 1.008000 0.423800 -1.7871E+00 1.3882E+00 -4.8792E+00 H2 2247 1.008000 0.423800 -7.1872E-01 2.4474E+00 -4.2443E+00 O6 2248 15.999400 -0.847600 1.7818E+01 1.9546E+01 -8.2320E+00 H1 2249 1.008000 0.423800 1.6940E+01 -1.9439E+01 -8.6969E+00 H2 2250 1.008000 0.423800 1.7690E+01 1.8994E+01 -7.4076E+00 O6 2251 15.999400 -0.847600 -1.2688E+00 -5.2285E+00 8.7336E+00 H1 2252 1.008000 0.423800 -6.9561E-01 -5.3994E+00 7.9322E+00 H2 2253 1.008000 0.423800 -8.6551E-01 -4.4958E+00 9.2817E+00 O6 2254 15.999400 -0.847600 1.4184E+01 1.9597E-01 -6.3441E+00 H1 2255 1.008000 0.423800 1.3898E+01 -6.3968E-01 -5.8751E+00 H2 2256 1.008000 0.423800 1.5090E+01 4.6787E-01 -6.0180E+00 O6 2257 15.999400 -0.847600 -1.3313E+01 -1.2142E+01 -5.6980E+00 H1 2258 1.008000 0.423800 -1.2784E+01 -1.1729E+01 -4.9570E+00 H2 2259 1.008000 0.423800 -1.3623E+01 -1.1428E+01 -6.3253E+00 O6 2260 15.999400 -0.847600 -8.9281E+00 1.2590E+00 1.8007E+01 H1 2261 1.008000 0.423800 -8.9199E+00 4.8343E-01 1.7376E+01 H2 2262 1.008000 0.423800 -9.7634E+00 1.2328E+00 1.8556E+01 O6 2263 15.999400 -0.847600 -1.6521E+01 1.5030E+01 -4.6895E+00 H1 2264 1.008000 0.423800 -1.6957E+01 1.5928E+01 -4.7517E+00 H2 2265 1.008000 0.423800 -1.7221E+01 1.4317E+01 -4.7211E+00 O6 2266 15.999400 -0.847600 -1.5339E+01 1.5521E+00 -2.9537E+00 H1 2267 1.008000 0.423800 -1.5776E+01 2.2752E+00 -3.4890E+00 H2 2268 1.008000 0.423800 -1.6027E+01 1.0917E+00 -2.3923E+00 O6 2269 15.999400 -0.847600 1.6272E+01 1.8913E+01 9.6946E+00 H1 2270 1.008000 0.423800 1.5841E+01 1.8975E+01 8.7943E+00 H2 2271 1.008000 0.423800 1.7100E+01 1.9474E+01 9.7071E+00 O6 2272 15.999400 -0.847600 -7.4300E+00 1.7837E+01 1.3242E+01 H1 2273 1.008000 0.423800 -7.5950E+00 1.8539E+01 1.2550E+01 H2 2274 1.008000 0.423800 -8.3036E+00 1.7457E+01 1.3546E+01 O6 2275 15.999400 -0.847600 -1.9247E+01 1.3472E+01 1.8589E+01 H1 2276 1.008000 0.423800 1.9211E+01 1.2912E+01 1.9116E+01 H2 2277 1.008000 0.423800 -1.9519E+01 1.3472E+01 1.7627E+01 O6 2278 15.999400 -0.847600 -1.2272E+01 1.7671E+01 1.2147E+01 H1 2279 1.008000 0.423800 -1.2972E+01 1.7443E+01 1.2824E+01 H2 2280 1.008000 0.423800 -1.1376E+01 1.7381E+01 1.2484E+01 O6 2281 15.999400 -0.847600 -8.7940E+00 1.6185E+01 -1.8401E+01 H1 2282 1.008000 0.423800 -9.4512E+00 1.5946E+01 -1.9116E+01 H2 2283 1.008000 0.423800 -8.0682E+00 1.6751E+01 -1.8792E+01 O6 2284 15.999400 -0.847600 -7.4055E+00 1.0888E+01 -1.6672E+01 H1 2285 1.008000 0.423800 -7.4353E+00 1.0278E+01 -1.7464E+01 H2 2286 1.008000 0.423800 -7.6026E+00 1.0365E+01 -1.5842E+01 O6 2287 15.999400 -0.847600 9.3120E+00 -1.9541E+01 -1.4576E+01 H1 2288 1.008000 0.423800 8.7330E+00 1.9503E+01 -1.3763E+01 H2 2289 1.008000 0.423800 8.7952E+00 -1.9130E+01 -1.5327E+01 O6 2290 15.999400 -0.847600 -1.5356E+01 -1.3207E+01 -1.2902E+01 H1 2291 1.008000 0.423800 -1.5477E+01 -1.2728E+01 -1.2032E+01 H2 2292 1.008000 0.423800 -1.5602E+01 -1.4169E+01 -1.2789E+01 O6 2293 15.999400 -0.847600 -8.3554E-01 -1.7474E+01 1.5198E+01 H1 2294 1.008000 0.423800 -1.2807E-01 -1.6898E+01 1.4788E+01 H2 2295 1.008000 0.423800 -9.3542E-01 -1.8311E+01 1.4661E+01 O6 2296 15.999400 -0.847600 1.3515E+00 -1.1582E+01 -2.1570E+00 H1 2297 1.008000 0.423800 1.0483E+00 -1.0735E+01 -1.7210E+00 H2 2298 1.008000 0.423800 7.0715E-01 -1.1835E+01 -2.8789E+00 O6 2299 15.999400 -0.847600 1.6709E+01 -1.4438E+01 -1.2118E+01 H1 2300 1.008000 0.423800 1.7548E+01 -1.4971E+01 -1.2008E+01 H2 2301 1.008000 0.423800 1.6760E+01 -1.3907E+01 -1.2963E+01 O6 2302 15.999400 -0.847600 -1.2919E+01 -1.4157E+00 1.0338E+01 H1 2303 1.008000 0.423800 -1.2169E+01 -1.0674E+00 1.0901E+01 H2 2304 1.008000 0.423800 -1.3661E+01 -7.4609E-01 1.0320E+01 O6 2305 15.999400 -0.847600 2.2705E-02 6.3818E+00 -1.5864E-01 H1 2306 1.008000 0.423800 3.5586E-01 6.5920E+00 7.6053E-01 H2 2307 1.008000 0.423800 2.9539E-01 5.4525E+00 -4.0753E-01 O6 2308 15.999400 -0.847600 -5.3138E+00 1.1556E+01 -1.9447E+01 H1 2309 1.008000 0.423800 -4.9983E+00 1.2505E+01 -1.9421E+01 H2 2310 1.008000 0.423800 -5.2763E+00 1.1167E+01 -1.8527E+01 O6 2311 15.999400 -0.847600 3.5545E+00 -1.2394E+01 -9.1477E+00 H1 2312 1.008000 0.423800 4.4500E+00 -1.2814E+01 -8.9989E+00 H2 2313 1.008000 0.423800 2.8901E+00 -1.3102E+01 -9.3864E+00 O6 2314 15.999400 -0.847600 -1.1025E+01 -2.3017E-01 1.2342E+01 H1 2315 1.008000 0.423800 -1.1593E+01 5.8878E-01 1.2424E+01 H2 2316 1.008000 0.423800 -1.1164E+01 -8.1261E-01 1.3143E+01 O6 2317 15.999400 -0.847600 -8.3975E+00 -7.9748E+00 1.0527E+01 H1 2318 1.008000 0.423800 -9.1342E+00 -7.2987E+00 1.0542E+01 H2 2319 1.008000 0.423800 -8.0976E+00 -8.1196E+00 9.5840E+00 O6 2320 15.999400 -0.847600 -6.9797E+00 -8.5571E+00 1.7054E+01 H1 2321 1.008000 0.423800 -6.7256E+00 -8.2896E+00 1.6125E+01 H2 2322 1.008000 0.423800 -7.5891E+00 -9.3491E+00 1.7018E+01 O6 2323 15.999400 -0.847600 6.6636E+00 -4.5490E+00 -1.6596E+01 H1 2324 1.008000 0.423800 5.7003E+00 -4.7828E+00 -1.6464E+01 H2 2325 1.008000 0.423800 7.0425E+00 -4.2002E+00 -1.5739E+01 O6 2326 15.999400 -0.847600 -2.4851E+00 -9.3440E+00 -1.1586E+00 H1 2327 1.008000 0.423800 -1.4909E+00 -9.4479E+00 -1.1280E+00 H2 2328 1.008000 0.423800 -2.8939E+00 -1.0165E+01 -1.5569E+00 O6 2329 15.999400 -0.847600 4.6165E-01 6.3267E+00 1.5898E+01 H1 2330 1.008000 0.423800 1.4144E+00 6.1628E+00 1.5642E+01 H2 2331 1.008000 0.423800 -1.3628E-01 6.0690E+00 1.5139E+01 O6 2332 15.999400 -0.847600 -9.1380E+00 -9.5611E+00 4.0759E+00 H1 2333 1.008000 0.423800 -9.5155E+00 -8.6844E+00 3.7778E+00 H2 2334 1.008000 0.423800 -8.1933E+00 -9.6425E+00 3.7583E+00 O6 2335 15.999400 -0.847600 -3.8923E+00 -9.7505E-01 8.1865E+00 H1 2336 1.008000 0.423800 -4.8043E+00 -1.3851E+00 8.1699E+00 H2 2337 1.008000 0.423800 -3.6734E+00 -6.1241E-01 7.2807E+00 O6 2338 15.999400 -0.847600 1.5129E+01 1.0368E+01 1.6677E+01 H1 2339 1.008000 0.423800 1.5406E+01 9.6576E+00 1.7324E+01 H2 2340 1.008000 0.423800 1.4775E+01 1.1157E+01 1.7180E+01 O6 2341 15.999400 -0.847600 -1.5726E+01 -3.7714E+00 1.0566E+01 H1 2342 1.008000 0.423800 -1.5981E+01 -3.3454E+00 9.6980E+00 H2 2343 1.008000 0.423800 -1.5070E+01 -4.5065E+00 1.0397E+01 O6 2344 15.999400 -0.847600 -1.4510E+01 1.1903E+01 1.3076E+01 H1 2345 1.008000 0.423800 -1.4206E+01 1.1047E+01 1.2659E+01 H2 2346 1.008000 0.423800 -1.5417E+01 1.1775E+01 1.3477E+01 O6 2347 15.999400 -0.847600 -1.7922E+01 -1.6959E+01 -1.3162E+00 H1 2348 1.008000 0.423800 -1.8291E+01 -1.6151E+01 -8.5597E-01 H2 2349 1.008000 0.423800 -1.8006E+01 -1.6845E+01 -2.3062E+00 O6 2350 15.999400 -0.847600 -1.3907E+01 5.4065E+00 8.0326E+00 H1 2351 1.008000 0.423800 -1.3784E+01 5.6495E+00 7.0703E+00 H2 2352 1.008000 0.423800 -1.4865E+01 5.5335E+00 8.2892E+00 O6 2353 15.999400 -0.847600 1.6997E+01 -6.2168E+00 -1.1705E+01 H1 2354 1.008000 0.423800 1.7202E+01 -7.1858E+00 -1.1567E+01 H2 2355 1.008000 0.423800 1.7208E+01 -5.7091E+00 -1.0870E+01 O6 2356 15.999400 -0.847600 -3.0244E+00 1.3281E+00 -1.0091E+01 H1 2357 1.008000 0.423800 -3.3641E+00 1.6623E+00 -1.0970E+01 H2 2358 1.008000 0.423800 -2.0266E+00 1.3907E+00 -1.0073E+01 O6 2359 15.999400 -0.847600 1.9516E+01 1.6458E+01 8.9644E+00 H1 2360 1.008000 0.423800 1.8657E+01 1.6719E+01 8.5255E+00 H2 2361 1.008000 0.423800 -1.9430E+01 1.7032E+01 9.7688E+00 O6 2362 15.999400 -0.847600 -4.0879E+00 1.7494E+01 9.6464E-02 H1 2363 1.008000 0.423800 -4.9741E+00 1.7952E+01 1.6239E-01 H2 2364 1.008000 0.423800 -4.0554E+00 1.6736E+01 7.4846E-01 O6 2365 15.999400 -0.847600 -1.9441E+01 1.4054E+00 1.8827E+01 H1 2366 1.008000 0.423800 1.8804E+01 1.8914E+00 1.9021E+01 H2 2367 1.008000 0.423800 -1.8737E+01 2.0620E+00 1.8557E+01 O6 2368 15.999400 -0.847600 3.8025E+00 -1.5355E+01 -1.9942E+00 H1 2369 1.008000 0.423800 4.0505E+00 -1.4387E+01 -1.9544E+00 H2 2370 1.008000 0.423800 4.2021E+00 -1.5833E+01 -1.2125E+00 O6 2371 15.999400 -0.847600 -2.2267E+00 8.7332E+00 1.3175E+01 H1 2372 1.008000 0.423800 -1.9202E+00 7.8593E+00 1.3552E+01 H2 2373 1.008000 0.423800 -1.6489E+00 9.4693E+00 1.3528E+01 O6 2374 15.999400 -0.847600 5.4234E+00 1.4810E+00 4.8794E+00 H1 2375 1.008000 0.423800 5.7675E+00 2.2562E+00 4.3496E+00 H2 2376 1.008000 0.423800 4.8645E+00 1.8172E+00 5.6374E+00 O6 2377 15.999400 -0.847600 -1.4842E+01 1.4427E+01 1.4445E+01 H1 2378 1.008000 0.423800 -1.4286E+01 1.3880E+01 1.3819E+01 H2 2379 1.008000 0.423800 -1.5084E+01 1.3876E+01 1.5244E+01 O6 2380 15.999400 -0.847600 -8.6387E+00 -1.3046E+01 -1.5294E+01 H1 2381 1.008000 0.423800 -7.6719E+00 -1.2802E+01 -1.5221E+01 H2 2382 1.008000 0.423800 -8.8504E+00 -1.3769E+01 -1.4636E+01 O6 2383 15.999400 -0.847600 1.0145E+01 -1.6790E+01 3.2096E+00 H1 2384 1.008000 0.423800 9.3207E+00 -1.6757E+01 2.6438E+00 H2 2385 1.008000 0.423800 9.9969E+00 -1.6261E+01 4.0450E+00 O6 2386 15.999400 -0.847600 1.2441E+01 7.2469E+00 1.1665E+01 H1 2387 1.008000 0.423800 1.3371E+01 7.5366E+00 1.1895E+01 H2 2388 1.008000 0.423800 1.1980E+01 6.9209E+00 1.2491E+01 O6 2389 15.999400 -0.847600 -1.8798E+01 1.7725E+01 -7.8965E+00 H1 2390 1.008000 0.423800 1.9432E+01 1.7403E+01 -8.2761E+00 H2 2391 1.008000 0.423800 -1.8501E+01 1.8543E+01 -8.3891E+00 O6 2392 15.999400 -0.847600 9.6362E+00 9.7364E-01 -3.0054E+00 H1 2393 1.008000 0.423800 8.8745E+00 3.2687E-01 -3.0459E+00 H2 2394 1.008000 0.423800 9.5589E+00 1.5281E+00 -2.1768E+00 O6 2395 15.999400 -0.847600 1.0459E+01 -1.5696E+00 -6.9024E+00 H1 2396 1.008000 0.423800 1.0788E+01 -2.3893E+00 -7.3714E+00 H2 2397 1.008000 0.423800 1.0024E+01 -9.5944E-01 -7.5639E+00 O6 2398 15.999400 -0.847600 -1.2386E+01 5.3476E+00 -2.3155E+00 H1 2399 1.008000 0.423800 -1.3073E+01 5.6063E+00 -1.6358E+00 H2 2400 1.008000 0.423800 -1.1970E+01 4.4769E+00 -2.0537E+00 O6 2401 15.999400 -0.847600 -1.5013E+01 4.0329E+00 1.5914E+00 H1 2402 1.008000 0.423800 -1.4126E+01 3.6048E+00 1.4202E+00 H2 2403 1.008000 0.423800 -1.5740E+01 3.3602E+00 1.4532E+00 O6 2404 15.999400 -0.847600 1.4486E+01 3.4222E+00 -6.5234E+00 H1 2405 1.008000 0.423800 1.5074E+01 2.7810E+00 -7.0171E+00 H2 2406 1.008000 0.423800 1.3920E+01 2.9200E+00 -5.8696E+00 O6 2407 15.999400 -0.847600 -9.2483E+00 8.5203E+00 -1.3925E+01 H1 2408 1.008000 0.423800 -8.8639E+00 7.7702E+00 -1.4464E+01 H2 2409 1.008000 0.423800 -1.0034E+01 8.9074E+00 -1.4407E+01 O6 2410 15.999400 -0.847600 -1.6349E+01 2.2721E+00 -1.1311E+01 H1 2411 1.008000 0.423800 -1.6029E+01 2.1892E+00 -1.2255E+01 H2 2412 1.008000 0.423800 -1.5710E+01 2.8408E+00 -1.0792E+01 O6 2413 15.999400 -0.847600 -1.4522E+01 9.9025E+00 6.5056E+00 H1 2414 1.008000 0.423800 -1.5066E+01 1.0632E+01 6.9212E+00 H2 2415 1.008000 0.423800 -1.4248E+01 1.0175E+01 5.5834E+00 O6 2416 15.999400 -0.847600 7.9100E+00 -4.3957E+00 4.8749E+00 H1 2417 1.008000 0.423800 8.1756E+00 -3.4510E+00 5.0673E+00 H2 2418 1.008000 0.423800 8.7251E+00 -4.9341E+00 4.6612E+00 O6 2419 15.999400 -0.847600 1.6447E+01 -1.0521E+01 3.2681E+00 H1 2420 1.008000 0.423800 1.6978E+01 -9.8752E+00 3.8174E+00 H2 2421 1.008000 0.423800 1.5903E+01 -1.1104E+01 3.8720E+00 O6 2422 15.999400 -0.847600 -7.2617E+00 -8.3925E+00 8.0146E+00 H1 2423 1.008000 0.423800 -6.5832E+00 -7.6658E+00 7.9070E+00 H2 2424 1.008000 0.423800 -6.7969E+00 -9.2755E+00 8.0798E+00 O6 2425 15.999400 -0.847600 -1.4944E+01 4.2087E+00 -1.0052E+01 H1 2426 1.008000 0.423800 -1.4188E+01 4.0058E+00 -9.4298E+00 H2 2427 1.008000 0.423800 -1.4580E+01 4.5735E+00 -1.0910E+01 O6 2428 15.999400 -0.847600 -1.7749E+01 -1.2563E+01 7.9749E+00 H1 2429 1.008000 0.423800 -1.7372E+01 -1.2716E+01 8.8884E+00 H2 2430 1.008000 0.423800 -1.7294E+01 -1.3168E+01 7.3212E+00 O6 2431 15.999400 -0.847600 1.3807E+01 9.0404E+00 2.4030E-01 H1 2432 1.008000 0.423800 1.2871E+01 9.0100E+00 -1.0916E-01 H2 2433 1.008000 0.423800 1.4425E+01 9.3403E+00 -4.8686E-01 O6 2434 15.999400 -0.847600 1.3657E+01 -1.2895E+01 2.5108E+00 H1 2435 1.008000 0.423800 1.4219E+01 -1.2760E+01 3.3263E+00 H2 2436 1.008000 0.423800 1.4125E+01 -1.3516E+01 1.8819E+00 O6 2437 15.999400 -0.847600 -1.9205E+01 -1.6078E+01 1.9254E+01 H1 2438 1.008000 0.423800 1.9498E+01 -1.5457E+01 1.8577E+01 H2 2439 1.008000 0.423800 -1.8323E+01 -1.6414E+01 1.8923E+01 O6 2440 15.999400 -0.847600 1.4664E+01 -7.2517E+00 -1.7192E+01 H1 2441 1.008000 0.423800 1.4013E+01 -7.3172E+00 -1.7948E+01 H2 2442 1.008000 0.423800 1.4935E+01 -6.2971E+00 -1.7067E+01 O6 2443 15.999400 -0.847600 5.0099E-01 1.6161E+01 -1.5492E+01 H1 2444 1.008000 0.423800 3.5965E-01 1.6647E+01 -1.6354E+01 H2 2445 1.008000 0.423800 1.1674E+00 1.5428E+01 -1.5628E+01 O6 2446 15.999400 -0.847600 5.7711E+00 -2.7505E+00 1.2810E+01 H1 2447 1.008000 0.423800 6.6561E+00 -2.4251E+00 1.3143E+01 H2 2448 1.008000 0.423800 5.0880E+00 -2.6584E+00 1.3534E+01 O6 2449 15.999400 -0.847600 -1.6485E+01 -1.1499E+01 -6.2246E+00 H1 2450 1.008000 0.423800 -1.6191E+01 -1.2342E+01 -6.6765E+00 H2 2451 1.008000 0.423800 -1.7454E+01 -1.1569E+01 -5.9869E+00 O6 2452 15.999400 -0.847600 1.7752E+01 4.0807E+00 -4.8342E+00 H1 2453 1.008000 0.423800 1.7351E+01 3.8733E+00 -5.7267E+00 H2 2454 1.008000 0.423800 1.7298E+01 3.5347E+00 -4.1301E+00 O6 2455 15.999400 -0.847600 -1.2604E+01 6.9422E+00 -8.3306E+00 H1 2456 1.008000 0.423800 -1.2331E+01 6.6482E+00 -7.4147E+00 H2 2457 1.008000 0.423800 -1.1946E+01 6.5990E+00 -9.0010E+00 O6 2458 15.999400 -0.847600 -6.2687E+00 -1.0796E+01 8.3333E+00 H1 2459 1.008000 0.423800 -6.9116E+00 -1.1528E+01 8.5595E+00 H2 2460 1.008000 0.423800 -5.3327E+00 -1.1121E+01 8.4674E+00 O6 2461 15.999400 -0.847600 -6.1575E+00 4.8129E+00 -1.0314E+01 H1 2462 1.008000 0.423800 -5.1617E+00 4.8620E+00 -1.0391E+01 H2 2463 1.008000 0.423800 -6.4860E+00 5.5727E+00 -9.7527E+00 O6 2464 15.999400 -0.847600 1.4818E+01 1.0523E+01 -1.1206E+01 H1 2465 1.008000 0.423800 1.4998E+01 9.6199E+00 -1.0816E+01 H2 2466 1.008000 0.423800 1.3879E+01 1.0795E+01 -1.0998E+01 O6 2467 15.999400 -0.847600 -1.6672E+01 1.7910E+01 -1.4884E+01 H1 2468 1.008000 0.423800 -1.6856E+01 1.8470E+01 -1.4076E+01 H2 2469 1.008000 0.423800 -1.5768E+01 1.7491E+01 -1.4801E+01 O6 2470 15.999400 -0.847600 1.5099E+01 5.6724E+00 -3.3064E+00 H1 2471 1.008000 0.423800 1.4603E+01 6.5403E+00 -3.2869E+00 H2 2472 1.008000 0.423800 1.4657E+01 5.0217E+00 -2.6891E+00 O6 2473 15.999400 -0.847600 -1.0176E-01 1.2059E+01 -2.6060E+00 H1 2474 1.008000 0.423800 5.9231E-02 1.2890E+01 -2.0733E+00 H2 2475 1.008000 0.423800 1.9839E-01 1.2204E+01 -3.5487E+00 O6 2476 15.999400 -0.847600 2.1348E+00 -1.8832E+00 -3.6194E+00 H1 2477 1.008000 0.423800 2.6001E+00 -1.0369E+00 -3.8791E+00 H2 2478 1.008000 0.423800 1.1461E+00 -1.7592E+00 -3.7033E+00 O6 2479 15.999400 -0.847600 -8.3592E-01 1.5473E+01 1.0528E+01 H1 2480 1.008000 0.423800 -1.3424E+00 1.5459E+01 9.6662E+00 H2 2481 1.008000 0.423800 6.8519E-02 1.5069E+01 1.0390E+01 O6 2482 15.999400 -0.847600 -7.6113E+00 1.0811E+01 -7.1791E+00 H1 2483 1.008000 0.423800 -7.0345E+00 1.1570E+01 -7.4835E+00 H2 2484 1.008000 0.423800 -8.1848E+00 1.0503E+01 -7.9380E+00 O6 2485 15.999400 -0.847600 1.8940E+01 9.2175E+00 1.7313E+01 H1 2486 1.008000 0.423800 1.9284E+01 8.3677E+00 1.7712E+01 H2 2487 1.008000 0.423800 1.8784E+01 9.8875E+00 1.8038E+01 O6 2488 15.999400 -0.847600 -7.2083E-01 -2.4187E+00 -3.4739E+00 H1 2489 1.008000 0.423800 -1.0936E+00 -1.9907E+00 -2.6506E+00 H2 2490 1.008000 0.423800 -1.1315E+00 -3.3224E+00 -3.5948E+00 O6 2491 15.999400 -0.847600 -9.9995E+00 5.9023E+00 -6.8596E+00 H1 2492 1.008000 0.423800 -9.3936E+00 6.6894E+00 -6.7439E+00 H2 2493 1.008000 0.423800 -9.8538E+00 5.4995E+00 -7.7632E+00 O6 2494 15.999400 -0.847600 2.5634E+00 -1.5215E+01 -8.7820E+00 H1 2495 1.008000 0.423800 2.5160E+00 -1.5950E+01 -8.1058E+00 H2 2496 1.008000 0.423800 2.6477E+00 -1.5609E+01 -9.6972E+00 O6 2497 15.999400 -0.847600 -1.3979E+01 -6.6645E+00 1.5127E+01 H1 2498 1.008000 0.423800 -1.3483E+01 -6.8656E+00 1.4282E+01 H2 2499 1.008000 0.423800 -1.3655E+01 -5.7979E+00 1.5506E+01 O6 2500 15.999400 -0.847600 -1.3796E+00 8.4040E+00 7.8830E+00 H1 2501 1.008000 0.423800 -2.1001E+00 9.0665E+00 8.0883E+00 H2 2502 1.008000 0.423800 -1.4408E+00 8.1322E+00 6.9226E+00 O6 2503 15.999400 -0.847600 -8.4059E-02 -3.2734E+00 -1.4039E+01 H1 2504 1.008000 0.423800 8.0752E-01 -2.9454E+00 -1.4352E+01 H2 2505 1.008000 0.423800 -4.7940E-01 -3.8754E+00 -1.4733E+01 O6 2506 15.999400 -0.847600 -6.9222E+00 4.9176E+00 3.3937E+00 H1 2507 1.008000 0.423800 -7.8803E+00 5.0064E+00 3.6661E+00 H2 2508 1.008000 0.423800 -6.4337E+00 4.3645E+00 4.0686E+00 O6 2509 15.999400 -0.847600 1.7934E+01 -3.5779E+00 1.4552E+01 H1 2510 1.008000 0.423800 1.8040E+01 -4.3462E+00 1.3921E+01 H2 2511 1.008000 0.423800 1.7782E+01 -3.9254E+00 1.5478E+01 O6 2512 15.999400 -0.847600 -2.9335E+00 1.6682E+01 1.2929E+01 H1 2513 1.008000 0.423800 -2.9259E+00 1.6928E+01 1.3899E+01 H2 2514 1.008000 0.423800 -2.1435E+00 1.6103E+01 1.2726E+01 O6 2515 15.999400 -0.847600 4.0931E+00 -1.2547E+01 -1.9211E+00 H1 2516 1.008000 0.423800 3.1618E+00 -1.2224E+01 -2.0900E+00 H2 2517 1.008000 0.423800 4.4420E+00 -1.2133E+01 -1.0803E+00 O6 2518 15.999400 -0.847600 1.8950E+01 -8.5991E+00 -1.1681E+01 H1 2519 1.008000 0.423800 1.8210E+01 -9.2173E+00 -1.1417E+01 H2 2520 1.008000 0.423800 -1.9425E+01 -9.1195E+00 -1.2136E+01 O6 2521 15.999400 -0.847600 -1.2650E+01 -1.6057E+01 1.1973E+01 H1 2522 1.008000 0.423800 -1.2501E+01 -1.5859E+01 1.2942E+01 H2 2523 1.008000 0.423800 -1.2538E+01 -1.7037E+01 1.1811E+01 O6 2524 15.999400 -0.847600 -1.4305E+01 1.5585E-01 -9.3677E+00 H1 2525 1.008000 0.423800 -1.4940E+01 6.8179E-01 -8.8015E+00 H2 2526 1.008000 0.423800 -1.3472E+01 6.8884E-01 -9.5179E+00 O6 2527 15.999400 -0.847600 -1.7040E+01 4.5126E+00 -8.3752E+00 H1 2528 1.008000 0.423800 -1.6399E+01 4.4549E+00 -9.1411E+00 H2 2529 1.008000 0.423800 -1.6882E+01 5.3624E+00 -7.8722E+00 O6 2530 15.999400 -0.847600 1.2137E+01 -1.0809E+01 -7.4705E+00 H1 2531 1.008000 0.423800 1.2236E+01 -1.0367E+01 -8.3620E+00 H2 2532 1.008000 0.423800 1.1186E+01 -1.1088E+01 -7.3400E+00 O6 2533 15.999400 -0.847600 -3.9033E+00 -1.6265E+01 1.4396E+01 H1 2534 1.008000 0.423800 -3.4305E+00 -1.6352E+01 1.5273E+01 H2 2535 1.008000 0.423800 -4.4962E+00 -1.5460E+01 1.4415E+01 O6 2536 15.999400 -0.847600 -3.0946E+00 2.1663E+00 -1.9004E+01 H1 2537 1.008000 0.423800 -2.6472E+00 1.3098E+00 -1.8746E+01 H2 2538 1.008000 0.423800 -3.4015E+00 2.1093E+00 1.9144E+01 O6 2539 15.999400 -0.847600 1.3763E+01 1.2294E+01 8.9849E+00 H1 2540 1.008000 0.423800 1.3068E+01 1.2411E+01 9.6942E+00 H2 2541 1.008000 0.423800 1.4669E+01 1.2275E+01 9.4067E+00 O6 2542 15.999400 -0.847600 1.7828E+01 6.0312E+00 2.8483E+00 H1 2543 1.008000 0.423800 1.7245E+01 5.6123E+00 2.1523E+00 H2 2544 1.008000 0.423800 1.7338E+01 6.7875E+00 3.2823E+00 O6 2545 15.999400 -0.847600 -2.6397E+00 -1.2525E+01 -6.8786E+00 H1 2546 1.008000 0.423800 -2.3554E+00 -1.2102E+01 -7.7393E+00 H2 2547 1.008000 0.423800 -2.3761E+00 -1.1935E+01 -6.1150E+00 O6 2548 15.999400 -0.847600 -1.2357E+01 1.6331E+01 -7.3467E+00 H1 2549 1.008000 0.423800 -1.2994E+01 1.5660E+01 -6.9664E+00 H2 2550 1.008000 0.423800 -1.1442E+01 1.6167E+01 -6.9780E+00 O6 2551 15.999400 -0.847600 7.1560E+00 -7.4367E+00 8.0675E+00 H1 2552 1.008000 0.423800 7.1488E+00 -6.5910E+00 7.5339E+00 H2 2553 1.008000 0.423800 8.0843E+00 -7.8078E+00 8.0914E+00 O6 2554 15.999400 -0.847600 6.5919E+00 -2.3847E+00 2.0666E+00 H1 2555 1.008000 0.423800 6.0638E+00 -1.8820E+00 2.7511E+00 H2 2556 1.008000 0.423800 6.5248E+00 -3.3657E+00 2.2484E+00 O6 2557 15.999400 -0.847600 -1.5388E+01 -1.6809E+01 -1.6875E+01 H1 2558 1.008000 0.423800 -1.5465E+01 -1.7645E+01 -1.7418E+01 H2 2559 1.008000 0.423800 -1.6298E+01 -1.6522E+01 -1.6575E+01 O6 2560 15.999400 -0.847600 5.7647E+00 1.8083E+01 -3.7953E+00 H1 2561 1.008000 0.423800 5.5237E+00 1.8666E+01 -4.5707E+00 H2 2562 1.008000 0.423800 5.1522E+00 1.7293E+01 -3.7698E+00 O6 2563 15.999400 -0.847600 -7.2908E+00 -1.8524E+01 1.2152E+01 H1 2564 1.008000 0.423800 -7.6751E+00 -1.7897E+01 1.2829E+01 H2 2565 1.008000 0.423800 -7.6373E+00 -1.8288E+01 1.1244E+01 O6 2566 15.999400 -0.847600 7.2584E+00 -1.0761E+01 1.9180E+00 H1 2567 1.008000 0.423800 7.9725E+00 -1.1265E+01 2.4030E+00 H2 2568 1.008000 0.423800 7.1188E+00 -9.8742E+00 2.3590E+00 O6 2569 15.999400 -0.847600 4.6666E+00 1.1070E+01 -1.9503E+00 H1 2570 1.008000 0.423800 3.9905E+00 1.1450E+01 -2.5818E+00 H2 2571 1.008000 0.423800 5.5486E+00 1.1517E+01 -2.0978E+00 O6 2572 15.999400 -0.847600 -3.8939E-01 -1.5834E+01 9.8440E+00 H1 2573 1.008000 0.423800 -1.2925E+00 -1.5719E+01 1.0258E+01 H2 2574 1.008000 0.423800 -2.5764E-01 -1.6792E+01 9.5916E+00 O6 2575 15.999400 -0.847600 1.8777E+01 2.1620E+00 2.0251E+00 H1 2576 1.008000 0.423800 1.8960E+01 1.4074E+00 1.3949E+00 H2 2577 1.008000 0.423800 1.7868E+01 2.5366E+00 1.8419E+00 O6 2578 15.999400 -0.847600 -1.0316E+01 1.0140E+01 1.5905E+01 H1 2579 1.008000 0.423800 -9.9779E+00 1.1082E+01 1.5902E+01 H2 2580 1.008000 0.423800 -9.7018E+00 9.5679E+00 1.6449E+01 O6 2581 15.999400 -0.847600 1.6074E+01 1.0452E+01 1.1420E+01 H1 2582 1.008000 0.423800 1.5819E+01 1.0137E+01 1.0505E+01 H2 2583 1.008000 0.423800 1.5511E+01 9.9857E+00 1.2102E+01 O6 2584 15.999400 -0.847600 -1.6671E+01 9.7708E-01 -1.6491E+01 H1 2585 1.008000 0.423800 -1.5902E+01 6.9487E-01 -1.7065E+01 H2 2586 1.008000 0.423800 -1.7270E+01 1.9320E-01 -1.6327E+01 O6 2587 15.999400 -0.847600 1.2517E+01 -4.9779E+00 1.4749E+01 H1 2588 1.008000 0.423800 1.1638E+01 -4.5023E+00 1.4784E+01 H2 2589 1.008000 0.423800 1.3214E+01 -4.4252E+00 1.5207E+01 O6 2590 15.999400 -0.847600 -4.8336E+00 1.2043E+01 -1.5648E+01 H1 2591 1.008000 0.423800 -4.8042E+00 1.1130E+01 -1.6056E+01 H2 2592 1.008000 0.423800 -5.7465E+00 1.2433E+01 -1.5769E+01 O6 2593 15.999400 -0.847600 -6.0420E+00 7.4158E+00 1.5784E+01 H1 2594 1.008000 0.423800 -6.7555E+00 6.9729E+00 1.6327E+01 H2 2595 1.008000 0.423800 -5.1812E+00 6.9193E+00 1.5896E+01 O6 2596 15.999400 -0.847600 -4.4802E-01 4.3952E+00 7.0914E+00 H1 2597 1.008000 0.423800 -2.3208E-02 4.0647E+00 7.9342E+00 H2 2598 1.008000 0.423800 -1.2565E+00 4.9389E+00 7.3167E+00 O6 2599 15.999400 -0.847600 1.8335E+01 1.0594E+01 -5.4871E+00 H1 2600 1.008000 0.423800 1.8779E+01 1.0073E+01 -4.7580E+00 H2 2601 1.008000 0.423800 1.7852E+01 9.9673E+00 -6.0983E+00 O6 2602 15.999400 -0.847600 -4.4005E+00 -1.8394E+01 1.2827E+01 H1 2603 1.008000 0.423800 -5.1565E+00 -1.8271E+01 1.2184E+01 H2 2604 1.008000 0.423800 -4.1821E+00 -1.7518E+01 1.3257E+01 O6 2605 15.999400 -0.847600 1.9011E+01 1.5847E+01 -1.2423E+01 H1 2606 1.008000 0.423800 1.8345E+01 1.6184E+01 -1.1757E+01 H2 2607 1.008000 0.423800 1.8530E+01 1.5491E+01 -1.3224E+01 O6 2608 15.999400 -0.847600 -1.8967E+01 4.0532E+00 1.3195E+01 H1 2609 1.008000 0.423800 -1.8677E+01 3.3641E+00 1.3859E+01 H2 2610 1.008000 0.423800 -1.9072E+01 3.6268E+00 1.2297E+01 O6 2611 15.999400 -0.847600 2.8916E+00 1.1494E+01 -3.9631E+00 H1 2612 1.008000 0.423800 2.2513E+00 1.2107E+01 -4.4267E+00 H2 2613 1.008000 0.423800 2.8414E+00 1.0585E+01 -4.3763E+00 O6 2614 15.999400 -0.847600 7.5147E+00 -1.2140E+01 1.4946E+01 H1 2615 1.008000 0.423800 8.3878E+00 -1.1847E+01 1.4556E+01 H2 2616 1.008000 0.423800 7.0352E+00 -1.2722E+01 1.4289E+01 O6 2617 15.999400 -0.847600 -2.4177E-01 1.0335E+01 -5.3831E-01 H1 2618 1.008000 0.423800 -9.9426E-01 1.0785E+01 -5.8013E-02 H2 2619 1.008000 0.423800 -8.3724E-02 1.0792E+01 -1.4135E+00 O6 2620 15.999400 -0.847600 -1.0511E+00 1.2924E+01 4.9453E+00 H1 2621 1.008000 0.423800 -1.7157E+00 1.2439E+01 5.5136E+00 H2 2622 1.008000 0.423800 -1.1161E+00 1.2596E+01 4.0028E+00 O6 2623 15.999400 -0.847600 5.2463E+00 1.9411E+01 -5.7378E-01 H1 2624 1.008000 0.423800 5.4674E+00 -1.8873E+01 -1.1124E+00 H2 2625 1.008000 0.423800 5.9345E+00 1.9288E+01 1.4109E-01 O6 2626 15.999400 -0.847600 1.6297E+00 1.4788E+01 -9.2655E+00 H1 2627 1.008000 0.423800 1.1742E+00 1.4582E+01 -1.0132E+01 H2 2628 1.008000 0.423800 1.3704E+00 1.4106E+01 -8.5820E+00 O6 2629 15.999400 -0.847600 -1.7442E+01 -1.0583E+01 -1.0679E+01 H1 2630 1.008000 0.423800 -1.7351E+01 -9.6990E+00 -1.1136E+01 H2 2631 1.008000 0.423800 -1.6534E+01 -1.0941E+01 -1.0460E+01 O6 2632 15.999400 -0.847600 -6.6852E+00 -1.0587E+00 1.0354E+01 H1 2633 1.008000 0.423800 -7.5976E+00 -6.5218E-01 1.0400E+01 H2 2634 1.008000 0.423800 -6.1386E+00 -7.3991E-01 1.1128E+01 O6 2635 15.999400 -0.847600 1.2238E+01 -1.7588E+01 -2.0868E+00 H1 2636 1.008000 0.423800 1.2406E+01 -1.6939E+01 -1.3456E+00 H2 2637 1.008000 0.423800 1.3107E+01 -1.7982E+01 -2.3881E+00 O6 2638 15.999400 -0.847600 -4.8395E+00 1.9058E+01 -8.3586E+00 H1 2639 1.008000 0.423800 -5.6723E+00 1.8511E+01 -8.2754E+00 H2 2640 1.008000 0.423800 -4.5010E+00 1.9009E+01 -9.2982E+00 O6 2641 15.999400 -0.847600 7.5532E+00 1.2344E+01 5.1402E+00 H1 2642 1.008000 0.423800 7.8869E+00 1.2156E+01 4.2164E+00 H2 2643 1.008000 0.423800 7.2132E+00 1.3283E+01 5.1875E+00 O6 2644 15.999400 -0.847600 -8.4044E-01 -1.3905E+01 -1.3586E+01 H1 2645 1.008000 0.423800 3.7528E-02 -1.3712E+01 -1.4024E+01 H2 2646 1.008000 0.423800 -8.1961E-01 -1.3582E+01 -1.2640E+01 O6 2647 15.999400 -0.847600 -1.7379E+01 5.8159E+00 -1.2891E+01 H1 2648 1.008000 0.423800 -1.8116E+01 6.1010E+00 -1.3503E+01 H2 2649 1.008000 0.423800 -1.7533E+01 4.8720E+00 -1.2599E+01 O6 2650 15.999400 -0.847600 -4.1242E+00 1.3103E+01 1.2561E+01 H1 2651 1.008000 0.423800 -4.7861E+00 1.3853E+01 1.2540E+01 H2 2652 1.008000 0.423800 -3.2122E+00 1.3458E+01 1.2356E+01 O6 2653 15.999400 -0.847600 -1.2597E+01 -1.5360E+00 -1.8240E+01 H1 2654 1.008000 0.423800 -1.1679E+01 -1.3175E+00 -1.8572E+01 H2 2655 1.008000 0.423800 -1.2724E+01 -1.1449E+00 -1.7329E+01 O6 2656 15.999400 -0.847600 -1.3980E+01 6.7160E+00 5.6446E+00 H1 2657 1.008000 0.423800 -1.4340E+01 6.1874E+00 4.8756E+00 H2 2658 1.008000 0.423800 -1.4418E+01 7.6149E+00 5.6647E+00 O6 2659 15.999400 -0.847600 1.6060E+01 1.2850E+01 -1.1808E+01 H1 2660 1.008000 0.423800 1.5535E+01 1.2048E+01 -1.1523E+01 H2 2661 1.008000 0.423800 1.5434E+01 1.3595E+01 -1.2036E+01 O6 2662 15.999400 -0.847600 1.7587E+01 8.7962E+00 1.2586E+01 H1 2663 1.008000 0.423800 1.7309E+01 9.2577E+00 1.1744E+01 H2 2664 1.008000 0.423800 1.7236E+01 9.3013E+00 1.3375E+01 O6 2665 15.999400 -0.847600 -2.0627E+00 5.3933E+00 -1.4165E+01 H1 2666 1.008000 0.423800 -1.7838E+00 5.3820E+00 -1.3205E+01 H2 2667 1.008000 0.423800 -2.1316E+00 6.3395E+00 -1.4481E+01 O6 2668 15.999400 -0.847600 -8.1103E+00 9.0163E+00 -1.8800E+01 H1 2669 1.008000 0.423800 -8.3844E+00 8.0561E+00 -1.8854E+01 H2 2670 1.008000 0.423800 -8.8457E+00 9.5933E+00 -1.9155E+01 O6 2671 15.999400 -0.847600 1.3950E+01 9.2848E+00 1.2830E+01 H1 2672 1.008000 0.423800 1.3809E+01 8.8222E+00 1.3706E+01 H2 2673 1.008000 0.423800 1.3238E+01 9.9739E+00 1.2699E+01 O6 2674 15.999400 -0.847600 -1.0268E+01 -1.0450E+01 -7.4184E+00 H1 2675 1.008000 0.423800 -9.9940E+00 -1.1120E+01 -6.7282E+00 H2 2676 1.008000 0.423800 -1.0544E+01 -9.6006E+00 -6.9677E+00 O6 2677 15.999400 -0.847600 1.3472E+00 6.9858E+00 -1.2164E+01 H1 2678 1.008000 0.423800 5.9633E-01 6.3735E+00 -1.1917E+01 H2 2679 1.008000 0.423800 2.1530E+00 6.7637E+00 -1.1615E+01 O6 2680 15.999400 -0.847600 -1.1009E+01 -6.6558E+00 1.1154E+01 H1 2681 1.008000 0.423800 -1.1745E+01 -6.6840E+00 1.0477E+01 H2 2682 1.008000 0.423800 -1.0838E+01 -5.7074E+00 1.1420E+01 O6 2683 15.999400 -0.847600 7.0741E+00 4.8565E+00 1.8241E+01 H1 2684 1.008000 0.423800 8.0313E+00 5.1292E+00 1.8338E+01 H2 2685 1.008000 0.423800 6.7019E+00 4.6214E+00 1.9139E+01 O6 2686 15.999400 -0.847600 8.6088E-01 1.7989E+01 -1.3482E+01 H1 2687 1.008000 0.423800 1.7233E-01 1.7944E+01 -1.2758E+01 H2 2688 1.008000 0.423800 8.6396E-01 1.7129E+01 -1.3993E+01 O6 2689 15.999400 -0.847600 -1.6490E+01 -1.8740E+01 1.6691E-01 H1 2690 1.008000 0.423800 -1.7200E+01 -1.8425E+01 -4.6270E-01 H2 2691 1.008000 0.423800 -1.6389E+01 -1.8081E+01 9.1227E-01 O6 2692 15.999400 -0.847600 1.2291E+01 -1.5585E+01 2.0981E+00 H1 2693 1.008000 0.423800 1.2951E+01 -1.5372E+01 2.8183E+00 H2 2694 1.008000 0.423800 1.1495E+01 -1.6037E+01 2.4994E+00 O6 2695 15.999400 -0.847600 5.3010E+00 -1.1584E+01 3.6192E-01 H1 2696 1.008000 0.423800 4.7965E+00 -1.0742E+01 1.6984E-01 H2 2697 1.008000 0.423800 5.9492E+00 -1.1421E+01 1.1058E+00 O6 2698 15.999400 -0.847600 -4.0833E+00 -9.5985E+00 -1.5232E+01 H1 2699 1.008000 0.423800 -4.1029E+00 -9.6906E+00 -1.6228E+01 H2 2700 1.008000 0.423800 -3.4797E+00 -1.0295E+01 -1.4845E+01 O6 2701 15.999400 -0.847600 2.6374E+00 1.8959E+01 6.9877E-01 H1 2702 1.008000 0.423800 1.9881E+00 1.8830E+01 -5.0787E-02 H2 2703 1.008000 0.423800 3.5361E+00 1.9189E+01 3.2534E-01 O6 2704 15.999400 -0.847600 1.1281E+01 -1.4645E+01 -8.2761E+00 H1 2705 1.008000 0.423800 1.0932E+01 -1.4702E+01 -7.3407E+00 H2 2706 1.008000 0.423800 1.2273E+01 -1.4768E+01 -8.2699E+00 O6 2707 15.999400 -0.847600 -9.8587E+00 -9.5421E-01 -1.1972E+01 H1 2708 1.008000 0.423800 -9.4031E+00 -6.9234E-02 -1.1875E+01 H2 2709 1.008000 0.423800 -9.7610E+00 -1.4737E+00 -1.1123E+01 O6 2710 15.999400 -0.847600 -4.6387E+00 -1.8828E+01 1.7290E+01 H1 2711 1.008000 0.423800 -5.3901E+00 -1.9002E+01 1.6653E+01 H2 2712 1.008000 0.423800 -4.3268E+00 -1.7884E+01 1.7187E+01 O6 2713 15.999400 -0.847600 -1.2999E+01 9.4559E+00 -1.1782E+01 H1 2714 1.008000 0.423800 -1.3278E+01 8.9106E+00 -1.0992E+01 H2 2715 1.008000 0.423800 -1.2932E+01 1.0418E+01 -1.1517E+01 O6 2716 15.999400 -0.847600 8.2958E+00 1.7817E+01 -2.4699E+00 H1 2717 1.008000 0.423800 7.4341E+00 1.7932E+01 -2.9641E+00 H2 2718 1.008000 0.423800 8.7927E+00 1.7034E+01 -2.8444E+00 O6 2719 15.999400 -0.847600 -1.7725E+00 7.6533E-01 -6.5319E+00 H1 2720 1.008000 0.423800 -1.5335E+00 -1.7106E-01 -6.2748E+00 H2 2721 1.008000 0.423800 -1.3884E+00 9.7219E-01 -7.4317E+00 O6 2722 15.999400 -0.847600 1.7614E+01 -1.0705E+01 -1.8409E+01 H1 2723 1.008000 0.423800 1.8064E+01 -1.0214E+01 -1.7663E+01 H2 2724 1.008000 0.423800 1.8291E+01 -1.0948E+01 -1.9104E+01 O6 2725 15.999400 -0.847600 1.0686E+01 -5.5993E-01 -1.4886E+01 H1 2726 1.008000 0.423800 1.0603E+01 4.0861E-01 -1.4651E+01 H2 2727 1.008000 0.423800 1.1595E+01 -8.8859E-01 -1.4632E+01 O6 2728 15.999400 -0.847600 -1.3615E+01 -1.5904E+00 1.2000E+00 H1 2729 1.008000 0.423800 -1.4192E+01 -1.1071E+00 5.4195E-01 H2 2730 1.008000 0.423800 -1.3723E+01 -1.1775E+00 2.1044E+00 O6 2731 15.999400 -0.847600 5.4681E+00 -1.5503E+01 -1.2677E+01 H1 2732 1.008000 0.423800 5.7446E+00 -1.6452E+01 -1.2828E+01 H2 2733 1.008000 0.423800 6.0671E+00 -1.5086E+01 -1.1994E+01 O6 2734 15.999400 -0.847600 -4.6542E-01 1.1699E+00 -9.4113E+00 H1 2735 1.008000 0.423800 3.1488E-01 1.7730E+00 -9.5768E+00 H2 2736 1.008000 0.423800 -1.6816E-01 2.1686E-01 -9.4692E+00 O6 2737 15.999400 -0.847600 1.8093E+01 -1.1890E+01 -8.8721E+00 H1 2738 1.008000 0.423800 1.8026E+01 -1.1762E+01 -7.8825E+00 H2 2739 1.008000 0.423800 1.7610E+01 -1.1148E+01 -9.3371E+00 O6 2740 15.999400 -0.847600 5.4190E+00 -1.6166E+01 1.1466E+01 H1 2741 1.008000 0.423800 5.5867E+00 -1.5199E+01 1.1663E+01 H2 2742 1.008000 0.423800 5.7892E+00 -1.6725E+01 1.2208E+01 O6 2743 15.999400 -0.847600 4.0425E-01 1.7747E+01 -1.7589E+01 H1 2744 1.008000 0.423800 -4.8084E-01 1.7521E+01 -1.7996E+01 H2 2745 1.008000 0.423800 5.0855E-01 1.8740E+01 -1.7549E+01 O6 2746 15.999400 -0.847600 1.6921E+00 -1.8871E+01 -1.1227E+01 H1 2747 1.008000 0.423800 1.7059E+00 -1.9024E+01 -1.0239E+01 H2 2748 1.008000 0.423800 2.4977E+00 -1.9295E+01 -1.1641E+01 O6 2749 15.999400 -0.847600 -2.7908E+00 1.1237E+01 6.2668E+00 H1 2750 1.008000 0.423800 -2.9600E+00 1.0572E+01 6.9939E+00 H2 2751 1.008000 0.423800 -3.4265E+00 1.1075E+01 5.5121E+00 O6 2752 15.999400 -0.847600 3.0813E+00 3.7664E+00 1.0092E+01 H1 2753 1.008000 0.423800 2.0890E+00 3.7515E+00 9.9689E+00 H2 2754 1.008000 0.423800 3.2971E+00 4.0507E+00 1.1026E+01 O6 2755 15.999400 -0.847600 5.0169E+00 5.5147E+00 -6.8834E+00 H1 2756 1.008000 0.423800 5.7515E+00 6.1931E+00 -6.8802E+00 H2 2757 1.008000 0.423800 5.4103E+00 4.5978E+00 -6.9501E+00 O6 2758 15.999400 -0.847600 -1.5008E+01 -3.7202E+00 -1.4642E+01 H1 2759 1.008000 0.423800 -1.5225E+01 -2.7913E+00 -1.4341E+01 H2 2760 1.008000 0.423800 -1.4046E+01 -3.9150E+00 -1.4453E+01 O6 2761 15.999400 -0.847600 1.3725E+01 -8.2024E-01 -2.1665E+00 H1 2762 1.008000 0.423800 1.4567E+01 -1.1865E+00 -2.5618E+00 H2 2763 1.008000 0.423800 1.2960E+01 -1.0045E+00 -2.7834E+00 O6 2764 15.999400 -0.847600 1.6172E+01 1.6835E+01 1.7282E+01 H1 2765 1.008000 0.423800 1.6623E+01 1.6825E+01 1.6389E+01 H2 2766 1.008000 0.423800 1.6359E+01 1.5977E+01 1.7760E+01 O6 2767 15.999400 -0.847600 -8.7274E+00 2.4603E+00 -8.2203E+00 H1 2768 1.008000 0.423800 -8.6453E+00 1.4637E+00 -8.2070E+00 H2 2769 1.008000 0.423800 -7.8186E+00 2.8683E+00 -8.3077E+00 O6 2770 15.999400 -0.847600 9.0826E+00 4.2449E+00 4.2518E+00 H1 2771 1.008000 0.423800 8.8807E+00 4.0005E+00 5.2003E+00 H2 2772 1.008000 0.423800 8.7936E+00 3.5025E+00 3.6475E+00 O6 2773 15.999400 -0.847600 -7.0227E+00 8.9941E+00 1.3776E+01 H1 2774 1.008000 0.423800 -6.7274E+00 8.2951E+00 1.4427E+01 H2 2775 1.008000 0.423800 -6.2207E+00 9.4101E+00 1.3347E+01 O6 2776 15.999400 -0.847600 -1.9352E+01 -1.0422E+01 -6.1027E+00 H1 2777 1.008000 0.423800 1.8891E+01 -1.0922E+01 -5.9611E+00 H2 2778 1.008000 0.423800 -1.9191E+01 -9.8112E+00 -5.3278E+00 O6 2779 15.999400 -0.847600 5.8337E+00 -6.9461E+00 1.0452E+01 H1 2780 1.008000 0.423800 6.0716E+00 -7.1304E+00 9.4981E+00 H2 2781 1.008000 0.423800 5.9039E+00 -7.7910E+00 1.0982E+01 O6 2782 15.999400 -0.847600 1.5130E+01 -1.6452E+01 7.6020E+00 H1 2783 1.008000 0.423800 1.5887E+01 -1.5799E+01 7.5747E+00 H2 2784 1.008000 0.423800 1.5307E+01 -1.7195E+01 6.9569E+00 O6 2785 15.999400 -0.847600 2.8250E+00 1.3194E+01 1.6000E+01 H1 2786 1.008000 0.423800 2.3177E+00 1.3971E+01 1.5629E+01 H2 2787 1.008000 0.423800 2.3636E+00 1.2856E+01 1.6821E+01 O6 2788 15.999400 -0.847600 9.2345E+00 7.0525E+00 5.0669E+00 H1 2789 1.008000 0.423800 9.0655E+00 6.1268E+00 4.7285E+00 H2 2790 1.008000 0.423800 1.0218E+01 7.2304E+00 5.0739E+00 O6 2791 15.999400 -0.847600 -9.2602E+00 1.2765E+01 9.7921E+00 H1 2792 1.008000 0.423800 -9.8577E+00 1.2895E+01 9.0008E+00 H2 2793 1.008000 0.423800 -9.2604E+00 1.3596E+01 1.0349E+01 O6 2794 15.999400 -0.847600 4.8019E+00 8.2930E+00 -1.1061E+01 H1 2795 1.008000 0.423800 5.3291E+00 7.6403E+00 -1.0517E+01 H2 2796 1.008000 0.423800 4.7486E+00 7.9723E+00 -1.2007E+01 O6 2797 15.999400 -0.847600 -9.6886E-01 1.0432E+01 -6.9958E+00 H1 2798 1.008000 0.423800 -1.3961E+00 1.0389E+01 -7.8990E+00 H2 2799 1.008000 0.423800 -1.5807E+00 1.0902E+01 -6.3595E+00 O6 2800 15.999400 -0.847600 -2.5903E+00 -3.6895E+00 1.8600E+01 H1 2801 1.008000 0.423800 -2.0273E+00 -2.8749E+00 1.8461E+01 H2 2802 1.008000 0.423800 -2.0584E+00 -4.5052E+00 1.8372E+01 O6 2803 15.999400 -0.847600 1.5891E+01 3.1465E+00 4.1370E+00 H1 2804 1.008000 0.423800 1.5841E+01 3.2250E+00 3.1413E+00 H2 2805 1.008000 0.423800 1.5842E+01 2.1825E+00 4.3982E+00 O6 2806 15.999400 -0.847600 6.6942E+00 6.6639E+00 -3.9670E+00 H1 2807 1.008000 0.423800 6.2041E+00 7.1782E+00 -3.2632E+00 H2 2808 1.008000 0.423800 6.6057E+00 7.1336E+00 -4.8453E+00 O6 2809 15.999400 -0.847600 -1.0168E+01 -1.3696E+00 1.9244E+01 H1 2810 1.008000 0.423800 -9.6890E+00 -1.8725E+00 -1.9134E+01 H2 2811 1.008000 0.423800 -9.5295E+00 -7.5034E-01 1.8788E+01 O6 2812 15.999400 -0.847600 -1.7858E+01 -6.1996E+00 -2.0606E+00 H1 2813 1.008000 0.423800 -1.7378E+01 -5.3942E+00 -1.7128E+00 H2 2814 1.008000 0.423800 -1.8777E+01 -5.9380E+00 -2.3565E+00 O6 2815 15.999400 -0.847600 -1.6268E+01 1.4050E+01 -1.5748E+01 H1 2816 1.008000 0.423800 -1.6017E+01 1.4381E+01 -1.4838E+01 H2 2817 1.008000 0.423800 -1.7120E+01 1.3530E+01 -1.5690E+01 O6 2818 15.999400 -0.847600 1.4426E+01 5.6635E+00 3.6726E+00 H1 2819 1.008000 0.423800 1.5241E+01 6.2162E+00 3.8484E+00 H2 2820 1.008000 0.423800 1.4552E+01 4.7514E+00 4.0630E+00 O6 2821 15.999400 -0.847600 1.1159E+01 1.1682E+01 6.8633E-01 H1 2822 1.008000 0.423800 1.1255E+01 1.0847E+01 1.2271E+00 H2 2823 1.008000 0.423800 1.1703E+01 1.2412E+01 1.0999E+00 O6 2824 15.999400 -0.847600 -1.3690E+00 -4.0609E+00 -7.5007E+00 H1 2825 1.008000 0.423800 -1.9374E+00 -4.8759E+00 -7.6140E+00 H2 2826 1.008000 0.423800 -4.1159E-01 -4.2966E+00 -7.6672E+00 O6 2827 15.999400 -0.847600 6.4492E+00 -1.8493E+01 1.6048E+01 H1 2828 1.008000 0.423800 6.5821E+00 -1.8761E+01 1.7003E+01 H2 2829 1.008000 0.423800 7.2840E+00 -1.8064E+01 1.5703E+01 O6 2830 15.999400 -0.847600 -1.4915E+01 6.1971E+00 3.2107E+00 H1 2831 1.008000 0.423800 -1.4968E+01 5.4035E+00 2.6046E+00 H2 2832 1.008000 0.423800 -1.4257E+01 6.8539E+00 2.8426E+00 O6 2833 15.999400 -0.847600 -1.1867E+01 6.1053E+00 6.9294E-01 H1 2834 1.008000 0.423800 -1.1431E+01 6.3310E+00 -1.7826E-01 H2 2835 1.008000 0.423800 -1.2204E+01 6.9424E+00 1.1233E+00 O6 2836 15.999400 -0.847600 8.6048E+00 -1.5344E+01 1.2850E+01 H1 2837 1.008000 0.423800 9.2593E+00 -1.4957E+01 1.2201E+01 H2 2838 1.008000 0.423800 8.9305E+00 -1.6237E+01 1.3160E+01 O6 2839 15.999400 -0.847600 -1.6967E+01 -1.0741E+01 1.7299E+01 H1 2840 1.008000 0.423800 -1.6567E+01 -1.1505E+01 1.7805E+01 H2 2841 1.008000 0.423800 -1.6252E+01 -1.0080E+01 1.7073E+01 O6 2842 15.999400 -0.847600 1.0874E+01 1.6032E+00 1.4020E+00 H1 2843 1.008000 0.423800 1.1836E+01 1.8745E+00 1.4261E+00 H2 2844 1.008000 0.423800 1.0647E+01 1.1039E+00 2.2384E+00 O6 2845 15.999400 -0.847600 1.5192E+01 8.3823E+00 -9.8407E+00 H1 2846 1.008000 0.423800 1.4343E+01 7.9558E+00 -9.5288E+00 H2 2847 1.008000 0.423800 1.5922E+01 7.6993E+00 -9.8552E+00 O6 2848 15.999400 -0.847600 -1.4728E+01 6.5354E+00 1.5305E+01 H1 2849 1.008000 0.423800 -1.4169E+01 5.7919E+00 1.5673E+01 H2 2850 1.008000 0.423800 -1.4164E+01 7.3546E+00 1.5199E+01 O6 2851 15.999400 -0.847600 1.8314E+01 -9.7033E+00 -1.5861E+01 H1 2852 1.008000 0.423800 1.7548E+01 -9.1558E+00 -1.5525E+01 H2 2853 1.008000 0.423800 1.9040E+01 -9.7192E+00 -1.5173E+01 O6 2854 15.999400 -0.847600 -1.7710E+00 1.0758E+01 3.0203E+00 H1 2855 1.008000 0.423800 -8.0422E-01 1.0688E+01 3.2664E+00 H2 2856 1.008000 0.423800 -2.1558E+00 9.8405E+00 2.9184E+00 O6 2857 15.999400 -0.847600 4.1647E+00 -1.0307E+01 4.1734E+00 H1 2858 1.008000 0.423800 5.1354E+00 -1.0439E+01 3.9722E+00 H2 2859 1.008000 0.423800 3.8798E+00 -1.0955E+01 4.8799E+00 O6 2860 15.999400 -0.847600 -1.8563E+00 -1.0327E+01 1.8363E+01 H1 2861 1.008000 0.423800 -1.6495E+00 -1.1299E+01 1.8254E+01 H2 2862 1.008000 0.423800 -2.7613E+00 -1.0134E+01 1.7984E+01 O6 2863 15.999400 -0.847600 9.9082E+00 -1.1377E+01 1.3746E+01 H1 2864 1.008000 0.423800 1.0082E+01 -1.1562E+01 1.2778E+01 H2 2865 1.008000 0.423800 1.0091E+01 -1.0414E+01 1.3939E+01 O6 2866 15.999400 -0.847600 8.7905E+00 -4.6841E+00 -7.6384E-01 H1 2867 1.008000 0.423800 8.1126E+00 -3.9666E+00 -6.0391E-01 H2 2868 1.008000 0.423800 8.5642E+00 -5.4857E+00 -2.1049E-01 O6 2869 15.999400 -0.847600 -1.4946E+01 -1.2770E+01 1.8263E+00 H1 2870 1.008000 0.423800 -1.5585E+01 -1.3413E+01 2.2490E+00 H2 2871 1.008000 0.423800 -1.5032E+01 -1.2820E+01 8.3129E-01 O6 2872 15.999400 -0.847600 1.3404E+01 4.2270E+00 -1.5018E+00 H1 2873 1.008000 0.423800 1.3643E+01 4.7558E+00 -6.8755E-01 H2 2874 1.008000 0.423800 1.2989E+01 3.3600E+00 -1.2259E+00 O6 2875 15.999400 -0.847600 1.1353E+01 1.5696E+01 1.8777E+01 H1 2876 1.008000 0.423800 1.1753E+01 1.5330E+01 1.7936E+01 H2 2877 1.008000 0.423800 1.0357E+01 1.5707E+01 1.8694E+01 O6 2878 15.999400 -0.847600 -4.0424E+00 -9.0444E-01 -8.4980E+00 H1 2879 1.008000 0.423800 -3.7569E+00 -9.5748E-01 -7.5411E+00 H2 2880 1.008000 0.423800 -3.5702E+00 -1.4481E-01 -8.9451E+00 O6 2881 15.999400 -0.847600 -1.0665E+01 -5.8132E+00 6.2202E+00 H1 2882 1.008000 0.423800 -1.1634E+01 -6.0458E+00 6.3035E+00 H2 2883 1.008000 0.423800 -1.0416E+01 -5.1603E+00 6.9356E+00 O6 2884 15.999400 -0.847600 -1.0933E+01 4.2689E+00 1.4063E+01 H1 2885 1.008000 0.423800 -1.1035E+01 5.1504E+00 1.3601E+01 H2 2886 1.008000 0.423800 -1.0494E+01 4.4063E+00 1.4951E+01 O6 2887 15.999400 -0.847600 -1.1379E+00 5.9876E+00 -1.1477E+01 H1 2888 1.008000 0.423800 -1.8142E+00 5.3794E+00 -1.1061E+01 H2 2889 1.008000 0.423800 -1.0350E+00 6.8067E+00 -1.0913E+01 O6 2890 15.999400 -0.847600 9.6967E+00 6.6876E+00 -3.7805E+00 H1 2891 1.008000 0.423800 1.0020E+01 5.8209E+00 -3.4000E+00 H2 2892 1.008000 0.423800 8.7251E+00 6.8012E+00 -3.5732E+00 O6 2893 15.999400 -0.847600 -4.9348E+00 -1.2174E+01 -1.8448E+01 H1 2894 1.008000 0.423800 -4.3043E+00 -1.2733E+01 -1.7909E+01 H2 2895 1.008000 0.423800 -4.7805E+00 -1.2342E+01 -1.9421E+01 O6 2896 15.999400 -0.847600 -1.2210E+01 1.5015E+01 9.2509E-01 H1 2897 1.008000 0.423800 -1.1868E+01 1.4481E+01 1.5187E-01 H2 2898 1.008000 0.423800 -1.2961E+01 1.5601E+01 6.1966E-01 O6 2899 15.999400 -0.847600 -8.5531E+00 -1.6987E+01 1.3708E+01 H1 2900 1.008000 0.423800 -9.2648E+00 -1.6460E+01 1.3243E+01 H2 2901 1.008000 0.423800 -8.3293E+00 -1.6549E+01 1.4578E+01 O6 2902 15.999400 -0.847600 -1.2802E+01 -8.9434E+00 -5.1655E+00 H1 2903 1.008000 0.423800 -1.2091E+01 -8.3419E+00 -5.5285E+00 H2 2904 1.008000 0.423800 -1.3306E+01 -9.3584E+00 -5.9230E+00 O6 2905 15.999400 -0.847600 -9.9220E+00 1.6513E+01 1.3391E+01 H1 2906 1.008000 0.423800 -1.0508E+01 1.6009E+01 1.4026E+01 H2 2907 1.008000 0.423800 -9.4771E+00 1.5870E+01 1.2767E+01 O6 2908 15.999400 -0.847600 -1.0304E+00 1.8965E+01 1.8013E+01 H1 2909 1.008000 0.423800 -4.4872E-01 1.8158E+01 1.8116E+01 H2 2910 1.008000 0.423800 -1.6756E+00 1.8817E+01 1.7263E+01 O6 2911 15.999400 -0.847600 1.0802E+01 -7.0016E+00 -6.7102E+00 H1 2912 1.008000 0.423800 1.0020E+01 -6.8956E+00 -7.3243E+00 H2 2913 1.008000 0.423800 1.1649E+01 -6.8416E+00 -7.2179E+00 O6 2914 15.999400 -0.847600 -1.8450E+01 1.9385E+00 1.5071E+01 H1 2915 1.008000 0.423800 -1.8131E+01 1.1748E+00 1.4510E+01 H2 2916 1.008000 0.423800 -1.8485E+01 1.6555E+00 1.6030E+01 O6 2917 15.999400 -0.847600 9.2749E+00 2.8186E+00 -5.7850E+00 H1 2918 1.008000 0.423800 9.2724E+00 2.8651E+00 -4.7860E+00 H2 2919 1.008000 0.423800 9.9454E+00 2.1402E+00 -6.0854E+00 O6 2920 15.999400 -0.847600 -1.0636E+01 -7.1615E+00 3.5137E+00 H1 2921 1.008000 0.423800 -1.0541E+01 -6.6898E+00 4.3903E+00 H2 2922 1.008000 0.423800 -1.1327E+01 -7.8801E+00 3.5956E+00 O6 2923 15.999400 -0.847600 -4.6982E+00 1.9528E+01 5.2379E+00 H1 2924 1.008000 0.423800 -5.0236E+00 -1.9280E+01 4.3377E+00 H2 2925 1.008000 0.423800 -4.2039E+00 -1.8816E+01 5.6716E+00 O6 2926 15.999400 -0.847600 6.9239E+00 -5.0118E-01 1.0223E+01 H1 2927 1.008000 0.423800 7.8705E+00 -4.8446E-01 1.0545E+01 H2 2928 1.008000 0.423800 6.4992E+00 -1.3689E+00 1.0481E+01 O6 2929 15.999400 -0.847600 -1.1487E+01 2.1603E+00 1.0139E+01 H1 2930 1.008000 0.423800 -1.0611E+01 2.4487E+00 1.0527E+01 H2 2931 1.008000 0.423800 -1.2190E+01 2.1835E+00 1.0850E+01 O6 2932 15.999400 -0.847600 1.3251E+01 -8.2603E+00 2.1537E+00 H1 2933 1.008000 0.423800 1.3113E+01 -7.2770E+00 2.0351E+00 H2 2934 1.008000 0.423800 1.2628E+01 -8.6019E+00 2.8568E+00 O6 2935 15.999400 -0.847600 -3.5970E+00 1.8723E+01 -1.4728E+01 H1 2936 1.008000 0.423800 -2.6336E+00 1.8641E+01 -1.4472E+01 H2 2937 1.008000 0.423800 -4.1315E+00 1.8998E+01 -1.3929E+01 O6 2938 15.999400 -0.847600 1.9201E+01 -7.5739E+00 1.7331E+01 H1 2939 1.008000 0.423800 1.9389E+01 -6.5933E+00 1.7388E+01 H2 2940 1.008000 0.423800 1.8497E+01 -7.8180E+00 1.7998E+01 O6 2941 15.999400 -0.847600 -3.4603E+00 -1.3284E+01 -1.6490E+01 H1 2942 1.008000 0.423800 -2.6258E+00 -1.2787E+01 -1.6729E+01 H2 2943 1.008000 0.423800 -3.3083E+00 -1.3806E+01 -1.5652E+01 O6 2944 15.999400 -0.847600 -1.2660E+01 -7.4983E-01 -1.5717E+01 H1 2945 1.008000 0.423800 -1.1788E+01 -8.7346E-01 -1.5244E+01 H2 2946 1.008000 0.423800 -1.3339E+01 -3.9155E-01 -1.5076E+01 O6 2947 15.999400 -0.847600 1.0211E+01 -5.6552E+00 4.8763E+00 H1 2948 1.008000 0.423800 1.1060E+01 -6.1407E+00 5.0865E+00 H2 2949 1.008000 0.423800 1.0423E+01 -4.7170E+00 4.6025E+00 O6 2950 15.999400 -0.847600 1.7243E+01 9.9671E+00 1.5098E+01 H1 2951 1.008000 0.423800 1.6377E+01 1.0176E+01 1.5553E+01 H2 2952 1.008000 0.423800 1.7902E+01 9.6353E+00 1.5773E+01 O6 2953 15.999400 -0.847600 -8.6178E+00 1.3509E+00 -1.2750E+01 H1 2954 1.008000 0.423800 -8.1475E+00 1.2522E+00 -1.3627E+01 H2 2955 1.008000 0.423800 -7.9473E+00 1.5350E+00 -1.2031E+01 O6 2956 15.999400 -0.847600 1.1902E+01 9.4908E+00 3.4652E+00 H1 2957 1.008000 0.423800 1.1585E+01 1.0214E+01 4.0794E+00 H2 2958 1.008000 0.423800 1.1158E+01 9.2251E+00 2.8517E+00 O6 2959 15.999400 -0.847600 9.4317E+00 -1.1708E+01 -7.3273E+00 H1 2960 1.008000 0.423800 9.1011E+00 -1.1032E+01 -6.6678E+00 H2 2961 1.008000 0.423800 9.2986E+00 -1.2627E+01 -6.9578E+00 O6 2962 15.999400 -0.847600 -1.8578E+01 -3.0639E+00 4.8627E+00 H1 2963 1.008000 0.423800 -1.8396E+01 -2.6165E+00 5.7382E+00 H2 2964 1.008000 0.423800 -1.7745E+01 -3.0678E+00 4.3104E+00 O6 2965 15.999400 -0.847600 -1.6563E+01 -1.8289E+01 -8.5640E+00 H1 2966 1.008000 0.423800 -1.6977E+01 -1.8170E+01 -7.6615E+00 H2 2967 1.008000 0.423800 -1.7189E+01 -1.8801E+01 -9.1525E+00 O6 2968 15.999400 -0.847600 7.8150E+00 -8.4740E+00 1.3427E+01 H1 2969 1.008000 0.423800 7.2243E+00 -8.7740E+00 1.2678E+01 H2 2970 1.008000 0.423800 7.4562E+00 -8.8208E+00 1.4294E+01 O6 2971 15.999400 -0.847600 2.1169E+00 1.2124E+01 1.8972E+01 H1 2972 1.008000 0.423800 1.2604E+00 1.1799E+01 1.8572E+01 H2 2973 1.008000 0.423800 2.2244E+00 1.1737E+01 -1.9209E+01 O6 2974 15.999400 -0.847600 -1.2666E+01 1.5234E+01 3.8103E+00 H1 2975 1.008000 0.423800 -1.2873E+01 1.5280E+01 2.8329E+00 H2 2976 1.008000 0.423800 -1.2821E+01 1.4303E+01 4.1406E+00 O6 2977 15.999400 -0.847600 5.5508E+00 -1.7212E+00 -5.9227E+00 H1 2978 1.008000 0.423800 5.0465E+00 -1.4410E+00 -5.1058E+00 H2 2979 1.008000 0.423800 4.9460E+00 -2.2414E+00 -6.5256E+00 O6 2980 15.999400 -0.847600 1.2899E+01 5.3985E+00 -7.2064E+00 H1 2981 1.008000 0.423800 1.1988E+01 5.4900E+00 -6.8044E+00 H2 2982 1.008000 0.423800 1.3428E+01 4.7295E+00 -6.6844E+00 O6 2983 15.999400 -0.847600 4.5734E+00 3.7618E+00 6.3851E-01 H1 2984 1.008000 0.423800 3.7822E+00 4.2188E+00 1.0450E+00 H2 2985 1.008000 0.423800 4.6065E+00 3.9610E+00 -3.4087E-01 O6 2986 15.999400 -0.847600 -6.6040E+00 -4.8306E+00 1.4735E+01 H1 2987 1.008000 0.423800 -5.9779E+00 -4.2053E+00 1.5201E+01 H2 2988 1.008000 0.423800 -6.9927E+00 -4.3769E+00 1.3933E+01 O6 2989 15.999400 -0.847600 1.5269E+01 1.4815E+01 -5.6136E+00 H1 2990 1.008000 0.423800 1.4832E+01 1.4936E+01 -6.5053E+00 H2 2991 1.008000 0.423800 1.4656E+01 1.4307E+01 -5.0088E+00 O6 2992 15.999400 -0.847600 2.8616E+00 1.6826E+01 -1.8149E+01 H1 2993 1.008000 0.423800 3.5844E+00 1.7180E+01 -1.7555E+01 H2 2994 1.008000 0.423800 1.9700E+00 1.7097E+01 -1.7786E+01 O6 2995 15.999400 -0.847600 7.6179E+00 -1.2295E+01 -1.7091E+01 H1 2996 1.008000 0.423800 7.3655E+00 -1.1497E+01 -1.6544E+01 H2 2997 1.008000 0.423800 8.2841E+00 -1.2025E+01 -1.7786E+01 O6 2998 15.999400 -0.847600 1.7646E+01 4.6679E-01 7.0528E+00 H1 2999 1.008000 0.423800 1.8056E+01 1.1118E+00 6.4078E+00 H2 3000 1.008000 0.423800 1.7083E+01 9.6631E-01 7.7112E+00 O6 3001 15.999400 -0.847600 -1.2381E+00 1.5947E+01 -9.0214E+00 H1 3002 1.008000 0.423800 -1.0715E+00 1.5943E+01 -8.0353E+00 H2 3003 1.008000 0.423800 -1.4394E+00 1.5017E+01 -9.3288E+00 O6 3004 15.999400 -0.847600 -1.6997E+01 1.5069E+01 1.2731E+01 H1 3005 1.008000 0.423800 -1.7945E+01 1.5122E+01 1.3046E+01 H2 3006 1.008000 0.423800 -1.6386E+01 1.5006E+01 1.3521E+01 O6 3007 15.999400 -0.847600 2.5181E+00 -9.7109E-01 -8.6791E+00 H1 3008 1.008000 0.423800 2.7148E+00 -1.9378E-02 -8.4433E+00 H2 3009 1.008000 0.423800 1.5809E+00 -1.0430E+00 -9.0203E+00 O6 3010 15.999400 -0.847600 1.9080E+01 -1.8096E+01 1.4305E+01 H1 3011 1.008000 0.423800 1.8807E+01 -1.7366E+01 1.4932E+01 H2 3012 1.008000 0.423800 1.9475E+01 -1.8852E+01 1.4826E+01 O6 3013 15.999400 -0.847600 5.0035E+00 -1.5706E+01 -4.4862E+00 H1 3014 1.008000 0.423800 4.9061E+00 -1.5860E+01 -3.5028E+00 H2 3015 1.008000 0.423800 4.6763E+00 -1.4789E+01 -4.7145E+00 O6 3016 15.999400 -0.847600 -7.2186E-01 -6.1810E+00 1.5638E+01 H1 3017 1.008000 0.423800 -6.5174E-01 -6.1942E+00 1.6636E+01 H2 3018 1.008000 0.423800 -4.5553E-01 -7.0733E+00 1.5273E+01 O6 3019 15.999400 -0.847600 -9.1201E+00 6.2074E+00 1.0987E+01 H1 3020 1.008000 0.423800 -8.6185E+00 5.4886E+00 1.1468E+01 H2 3021 1.008000 0.423800 -1.0074E+01 6.2074E+00 1.1288E+01 O6 3022 15.999400 -0.847600 1.0308E+01 -1.2297E+01 -1.8913E+01 H1 3023 1.008000 0.423800 1.0703E+01 -1.3203E+01 -1.9068E+01 H2 3024 1.008000 0.423800 1.0348E+01 -1.1766E+01 1.9339E+01 O6 3025 15.999400 -0.847600 -1.1018E+01 -2.6284E+00 -4.6448E+00 H1 3026 1.008000 0.423800 -1.1859E+01 -3.0533E+00 -4.3097E+00 H2 3027 1.008000 0.423800 -1.0954E+01 -1.6944E+00 -4.2934E+00 O6 3028 15.999400 -0.847600 -1.0646E+01 -9.8275E+00 -9.9122E+00 H1 3029 1.008000 0.423800 -1.0717E+01 -8.8450E+00 -1.0084E+01 H2 3030 1.008000 0.423800 -1.0510E+01 -9.9854E+00 -8.9343E+00 O6 3031 15.999400 -0.847600 -1.6426E+01 -1.4372E+01 6.2790E+00 H1 3032 1.008000 0.423800 -1.5554E+01 -1.4399E+01 5.7895E+00 H2 3033 1.008000 0.423800 -1.6591E+01 -1.5257E+01 6.7148E+00 O6 3034 15.999400 -0.847600 8.1625E+00 1.3523E+00 1.8122E+01 H1 3035 1.008000 0.423800 8.6459E+00 2.1660E+00 1.8445E+01 H2 3036 1.008000 0.423800 8.8215E+00 6.2106E-01 1.7946E+01 O6 3037 15.999400 -0.847600 1.1492E+01 -6.8630E+00 -2.4490E+00 H1 3038 1.008000 0.423800 1.0661E+01 -6.4103E+00 -2.7732E+00 H2 3039 1.008000 0.423800 1.1391E+01 -7.0907E+00 -1.4805E+00 O6 3040 15.999400 -0.847600 -1.5645E+01 -9.1239E+00 8.9333E+00 H1 3041 1.008000 0.423800 -1.5683E+01 -8.5279E+00 8.1312E+00 H2 3042 1.008000 0.423800 -1.5322E+01 -1.0030E+01 8.6602E+00 O6 3043 15.999400 -0.847600 1.5647E+01 -1.9387E+01 7.4686E-01 H1 3044 1.008000 0.423800 1.5766E+01 -1.8897E+01 1.6101E+00 H2 3045 1.008000 0.423800 1.6512E+01 -1.9394E+01 2.4534E-01 O6 3046 15.999400 -0.847600 4.0459E-01 4.2651E+00 1.8303E+01 H1 3047 1.008000 0.423800 -4.3743E-01 4.3806E+00 1.8830E+01 H2 3048 1.008000 0.423800 4.5755E-01 4.9741E+00 1.7600E+01 O6 3049 15.999400 -0.847600 3.7110E-01 -1.2739E+01 5.9613E+00 H1 3050 1.008000 0.423800 -7.3582E-02 -1.3564E+01 6.3079E+00 H2 3051 1.008000 0.423800 -3.2361E-01 -1.2100E+01 5.6308E+00 O6 3052 15.999400 -0.847600 1.9409E+01 -7.2622E+00 -6.9755E+00 H1 3053 1.008000 0.423800 -1.8901E+01 -6.6845E+00 -7.1870E+00 H2 3054 1.008000 0.423800 1.9517E+01 -8.1505E+00 -7.4218E+00 O6 3055 15.999400 -0.847600 -5.1590E+00 -6.9072E+00 1.8135E+01 H1 3056 1.008000 0.423800 -5.9015E+00 -7.4061E+00 1.7688E+01 H2 3057 1.008000 0.423800 -5.2180E+00 -5.9378E+00 1.7897E+01 O6 3058 15.999400 -0.847600 8.9154E+00 -6.4389E+00 1.2762E+00 H1 3059 1.008000 0.423800 9.4346E+00 -5.6139E+00 1.4997E+00 H2 3060 1.008000 0.423800 9.5254E+00 -7.1147E+00 8.6259E-01 O6 3061 15.999400 -0.847600 -1.8617E+01 5.7412E+00 1.6373E+01 H1 3062 1.008000 0.423800 -1.9110E+01 6.1577E+00 1.5609E+01 H2 3063 1.008000 0.423800 -1.7786E+01 6.2659E+00 1.6559E+01 O6 3064 15.999400 -0.847600 3.9043E-01 -1.3790E+01 1.6217E+01 H1 3065 1.008000 0.423800 1.2912E+00 -1.4056E+01 1.6560E+01 H2 3066 1.008000 0.423800 4.3276E-01 -1.3672E+01 1.5225E+01 O6 3067 15.999400 -0.847600 2.1498E+00 1.2343E+01 4.7903E+00 H1 3068 1.008000 0.423800 1.1804E+00 1.2105E+01 4.7301E+00 H2 3069 1.008000 0.423800 2.2509E+00 1.3338E+01 4.7670E+00 O6 3070 15.999400 -0.847600 -1.8720E+01 1.3510E+01 -1.5154E+01 H1 3071 1.008000 0.423800 -1.9307E+01 1.2703E+01 -1.5086E+01 H2 3072 1.008000 0.423800 -1.8369E+01 1.3744E+01 -1.4248E+01 O6 3073 15.999400 -0.847600 -7.5380E+00 1.9177E+01 8.4472E+00 H1 3074 1.008000 0.423800 -7.4191E+00 1.9088E+01 7.4584E+00 H2 3075 1.008000 0.423800 -7.5880E+00 -1.8951E+01 8.6902E+00 O6 3076 15.999400 -0.847600 -5.4228E+00 1.5884E+01 1.2993E+01 H1 3077 1.008000 0.423800 -4.5177E+00 1.6304E+01 1.2928E+01 H2 3078 1.008000 0.423800 -6.1048E+00 1.6590E+01 1.3185E+01 O6 3079 15.999400 -0.847600 1.7094E+01 1.1719E+01 8.7063E+00 H1 3080 1.008000 0.423800 1.6859E+01 1.1966E+01 7.7664E+00 H2 3081 1.008000 0.423800 1.6958E+01 1.2509E+01 9.3031E+00 O6 3082 15.999400 -0.847600 -1.7891E+01 -1.8400E+01 -5.7745E+00 H1 3083 1.008000 0.423800 -1.8464E+01 -1.9144E+01 -5.4300E+00 H2 3084 1.008000 0.423800 -1.7070E+01 -1.8323E+01 -5.2094E+00 O6 3085 15.999400 -0.847600 1.6899E+01 1.1312E+01 3.0939E+00 H1 3086 1.008000 0.423800 1.5968E+01 1.0965E+01 3.2127E+00 H2 3087 1.008000 0.423800 1.7507E+01 1.0866E+01 3.7517E+00 O6 3088 15.999400 -0.847600 -2.4438E+00 8.1016E+00 7.9973E-01 H1 3089 1.008000 0.423800 -1.4748E+00 7.9408E+00 6.1235E-01 H2 3090 1.008000 0.423800 -2.9694E+00 7.9897E+00 -4.3656E-02 O6 3091 15.999400 -0.847600 3.0680E+00 5.7437E+00 1.5691E+01 H1 3092 1.008000 0.423800 3.7930E+00 5.3349E+00 1.6245E+01 H2 3093 1.008000 0.423800 3.3236E+00 6.6788E+00 1.5445E+01 O6 3094 15.999400 -0.847600 -1.1488E+01 -3.8561E+00 8.1405E+00 H1 3095 1.008000 0.423800 -1.1761E+01 -4.2257E+00 9.0286E+00 H2 3096 1.008000 0.423800 -1.0618E+01 -3.3717E+00 8.2348E+00 O6 3097 15.999400 -0.847600 -1.8894E+01 2.6447E+00 -4.9538E+00 H1 3098 1.008000 0.423800 -1.8050E+01 3.0759E+00 -4.6350E+00 H2 3099 1.008000 0.423800 1.9431E+01 3.2553E+00 -4.7799E+00 O6 3100 15.999400 -0.847600 1.2397E+01 2.0957E+00 1.8807E+01 H1 3101 1.008000 0.423800 1.2054E+01 1.1598E+00 1.8725E+01 H2 3102 1.008000 0.423800 1.1736E+01 2.6493E+00 1.9314E+01 O6 3103 15.999400 -0.847600 -8.1261E+00 8.9237E+00 1.6990E+01 H1 3104 1.008000 0.423800 -7.8621E+00 9.7658E+00 1.7460E+01 H2 3105 1.008000 0.423800 -7.3278E+00 8.5342E+00 1.6531E+01 O6 3106 15.999400 -0.847600 -5.5235E-01 1.5117E+01 -1.8141E+00 H1 3107 1.008000 0.423800 3.2278E-01 1.5601E+01 -1.8193E+00 H2 3108 1.008000 0.423800 -8.4720E-01 1.4972E+01 -8.6965E-01 O6 3109 15.999400 -0.847600 9.4998E+00 -1.5640E+01 -4.5132E-01 H1 3110 1.008000 0.423800 1.0145E+01 -1.6080E+01 -1.0759E+00 H2 3111 1.008000 0.423800 9.8823E+00 -1.4772E+01 -1.3428E-01 O6 3112 15.999400 -0.847600 -3.9315E+00 -2.7125E+00 -1.2699E+01 H1 3113 1.008000 0.423800 -4.3859E+00 -3.0262E+00 -1.1865E+01 H2 3114 1.008000 0.423800 -3.4707E+00 -3.4840E+00 -1.3138E+01 O6 3115 15.999400 -0.847600 -1.4480E+01 -1.9478E+01 1.7628E+01 H1 3116 1.008000 0.423800 -1.4160E+01 -1.9150E+01 1.8517E+01 H2 3117 1.008000 0.423800 -1.4234E+01 1.8656E+01 1.7520E+01 O6 3118 15.999400 -0.847600 7.3120E+00 -1.9241E+01 1.6737E+00 H1 3119 1.008000 0.423800 7.8481E+00 -1.8919E+01 8.9303E-01 H2 3120 1.008000 0.423800 7.4221E+00 -1.8605E+01 2.4378E+00 O6 3121 15.999400 -0.847600 -2.0940E+00 3.9573E+00 3.4595E+00 H1 3122 1.008000 0.423800 -1.2690E+00 3.9978E+00 4.0232E+00 H2 3123 1.008000 0.423800 -2.8675E+00 3.6642E+00 4.0215E+00 O6 3124 15.999400 -0.847600 -1.6838E+01 7.8042E+00 1.6811E+01 H1 3125 1.008000 0.423800 -1.6651E+01 8.7866E+00 1.6816E+01 H2 3126 1.008000 0.423800 -1.6038E+01 7.3148E+00 1.6464E+01 O6 3127 15.999400 -0.847600 -2.0118E+00 -1.6048E+01 1.2495E+01 H1 3128 1.008000 0.423800 -1.3353E+00 -1.6771E+01 1.2355E+01 H2 3129 1.008000 0.423800 -2.5673E+00 -1.6262E+01 1.3298E+01 O6 3130 15.999400 -0.847600 1.3585E+01 1.6300E+01 2.6892E+00 H1 3131 1.008000 0.423800 1.3659E+01 1.6913E+01 1.9022E+00 H2 3132 1.008000 0.423800 1.4490E+01 1.5943E+01 2.9195E+00 O6 3133 15.999400 -0.847600 4.9588E+00 -2.0840E+00 1.5586E+01 H1 3134 1.008000 0.423800 5.0465E+00 -1.2845E+00 1.6180E+01 H2 3135 1.008000 0.423800 5.0615E+00 -2.9167E+00 1.6130E+01 O6 3136 15.999400 -0.847600 -5.9764E+00 -1.2530E+01 -1.5638E+01 H1 3137 1.008000 0.423800 -5.2070E+00 -1.2834E+01 -1.6200E+01 H2 3138 1.008000 0.423800 -6.2312E+00 -1.1599E+01 -1.5898E+01 O6 3139 15.999400 -0.847600 2.9301E+00 -6.8288E+00 -6.2740E+00 H1 3140 1.008000 0.423800 3.6587E+00 -7.2471E+00 -5.7315E+00 H2 3141 1.008000 0.423800 2.4854E+00 -6.1114E+00 -5.7378E+00 O6 3142 15.999400 -0.847600 1.1922E+01 -7.1378E+00 8.9371E+00 H1 3143 1.008000 0.423800 1.2701E+01 -7.5955E+00 9.3666E+00 H2 3144 1.008000 0.423800 1.1375E+01 -6.6809E+00 9.6388E+00 O6 3145 15.999400 -0.847600 -1.3490E+01 2.7674E+00 8.1834E+00 H1 3146 1.008000 0.423800 -1.2651E+01 2.4089E+00 8.5919E+00 H2 3147 1.008000 0.423800 -1.3461E+01 3.7669E+00 8.1837E+00 O6 3148 15.999400 -0.847600 -1.6117E+01 -8.5044E+00 -1.5331E+01 H1 3149 1.008000 0.423800 -1.6533E+01 -7.8340E+00 -1.4717E+01 H2 3150 1.008000 0.423800 -1.5225E+01 -8.7778E+00 -1.4972E+01 O6 3151 15.999400 -0.847600 1.4808E+00 -1.6929E+01 4.1985E-01 H1 3152 1.008000 0.423800 9.5458E-01 -1.6505E+01 1.1574E+00 H2 3153 1.008000 0.423800 2.3126E+00 -1.7337E+01 7.9581E-01 O6 3154 15.999400 -0.847600 -5.5720E+00 -1.5878E+01 3.1269E+00 H1 3155 1.008000 0.423800 -5.2570E+00 -1.5797E+01 2.1812E+00 H2 3156 1.008000 0.423800 -4.9302E+00 -1.5409E+01 3.7333E+00 O6 3157 15.999400 -0.847600 1.8669E+00 -4.2973E-02 1.3348E+00 H1 3158 1.008000 0.423800 2.7601E+00 3.7071E-01 1.1581E+00 H2 3159 1.008000 0.423800 1.4923E+00 3.2399E-01 2.1863E+00 O6 3160 15.999400 -0.847600 -2.7465E+00 1.2931E+01 8.6573E+00 H1 3161 1.008000 0.423800 -2.9250E+00 1.2520E+01 7.7633E+00 H2 3162 1.008000 0.423800 -2.2244E+00 1.2290E+01 9.2204E+00 O6 3163 15.999400 -0.847600 -1.6897E+01 -8.5456E+00 -8.9070E-01 H1 3164 1.008000 0.423800 -1.7591E+01 -7.8414E+00 -1.0386E+00 H2 3165 1.008000 0.423800 -1.6185E+01 -8.4637E+00 -1.5886E+00 O6 3166 15.999400 -0.847600 6.6594E-02 -5.4453E+00 -1.2363E+01 H1 3167 1.008000 0.423800 -7.5380E-02 -4.6000E+00 -1.2878E+01 H2 3168 1.008000 0.423800 -1.2244E-01 -6.2305E+00 -1.2953E+01 O6 3169 15.999400 -0.847600 -5.9019E+00 -1.1063E+00 3.1976E+00 H1 3170 1.008000 0.423800 -6.8012E+00 -1.1414E+00 3.6335E+00 H2 3171 1.008000 0.423800 -5.9486E+00 -1.5469E+00 2.3011E+00 O6 3172 15.999400 -0.847600 1.7089E+01 -3.6936E+00 3.2154E-01 H1 3173 1.008000 0.423800 1.6994E+01 -4.4958E+00 9.1078E-01 H2 3174 1.008000 0.423800 1.6261E+01 -3.1359E+00 3.8063E-01 O6 3175 15.999400 -0.847600 4.6881E+00 7.0903E+00 -1.3695E+01 H1 3176 1.008000 0.423800 3.8780E+00 7.4915E+00 -1.4123E+01 H2 3177 1.008000 0.423800 4.5855E+00 6.0965E+00 -1.3654E+01 O6 3178 15.999400 -0.847600 1.3641E+01 9.6830E+00 -1.6249E+01 H1 3179 1.008000 0.423800 1.4246E+01 9.2842E+00 -1.5559E+01 H2 3180 1.008000 0.423800 1.3022E+01 1.0335E+01 -1.5811E+01 O6 3181 15.999400 -0.847600 -1.6825E+01 -8.0620E+00 -3.9460E+00 H1 3182 1.008000 0.423800 -1.7446E+01 -7.3805E+00 -3.5586E+00 H2 3183 1.008000 0.423800 -1.7357E+01 -8.8081E+00 -4.3464E+00 O6 3184 15.999400 -0.847600 1.4678E+01 9.7561E+00 2.9114E+00 H1 3185 1.008000 0.423800 1.3820E+01 9.8054E+00 3.4219E+00 H2 3186 1.008000 0.423800 1.4481E+01 9.6230E+00 1.9400E+00 O6 3187 15.999400 -0.847600 1.6430E+01 1.3683E+01 1.0204E+01 H1 3188 1.008000 0.423800 1.6322E+01 1.4139E+01 1.1088E+01 H2 3189 1.008000 0.423800 1.6024E+01 1.4248E+01 9.4856E+00 O6 3190 15.999400 -0.847600 1.1915E+01 -1.3496E+01 -1.6718E+01 H1 3191 1.008000 0.423800 1.2021E+01 -1.2520E+01 -1.6530E+01 H2 3192 1.008000 0.423800 1.1276E+01 -1.3621E+01 -1.7478E+01 O6 3193 15.999400 -0.847600 -1.9513E+01 -1.9160E+01 -1.9308E+01 H1 3194 1.008000 0.423800 -1.8677E+01 -1.8920E+01 1.9297E+01 H2 3195 1.008000 0.423800 1.9190E+01 -1.8337E+01 -1.8900E+01 O6 3196 15.999400 -0.847600 1.7349E+01 -2.8083E+00 1.1712E+01 H1 3197 1.008000 0.423800 1.6525E+01 -2.5158E+00 1.2197E+01 H2 3198 1.008000 0.423800 1.7648E+01 -3.6937E+00 1.2067E+01 O6 3199 15.999400 -0.847600 1.0749E+01 -1.0914E+01 1.1058E+01 H1 3200 1.008000 0.423800 1.1559E+01 -1.0446E+01 1.1410E+01 H2 3201 1.008000 0.423800 1.0875E+01 -1.1112E+01 1.0086E+01 O6 3202 15.999400 -0.847600 1.2920E+01 -1.3472E+01 1.1887E+01 H1 3203 1.008000 0.423800 1.3007E+01 -1.2721E+01 1.2541E+01 H2 3204 1.008000 0.423800 1.3805E+01 -1.3925E+01 1.1780E+01 O6 3205 15.999400 -0.847600 -8.0244E+00 1.3213E+00 1.4251E+01 H1 3206 1.008000 0.423800 -7.5881E+00 2.1080E+00 1.4688E+01 H2 3207 1.008000 0.423800 -8.4781E+00 1.6161E+00 1.3411E+01 O6 3208 15.999400 -0.847600 2.2904E+00 1.1574E+01 8.3829E+00 H1 3209 1.008000 0.423800 2.0905E+00 1.2218E+01 7.6450E+00 H2 3210 1.008000 0.423800 3.2786E+00 1.1433E+01 8.4443E+00 O6 3211 15.999400 -0.847600 -1.7559E+01 1.1128E+01 -6.1981E+00 H1 3212 1.008000 0.423800 -1.7093E+01 1.1883E+01 -6.6585E+00 H2 3213 1.008000 0.423800 -1.7650E+01 1.1336E+01 -5.2244E+00 O6 3214 15.999400 -0.847600 -1.5205E+01 -1.2855E+01 -1.1666E+00 H1 3215 1.008000 0.423800 -1.5434E+01 -1.3720E+01 -1.6133E+00 H2 3216 1.008000 0.423800 -1.6025E+01 -1.2287E+01 -1.0996E+00 O6 3217 15.999400 -0.847600 -1.3839E+01 2.7842E+00 5.2629E+00 H1 3218 1.008000 0.423800 -1.2926E+01 3.1238E+00 5.0353E+00 H2 3219 1.008000 0.423800 -1.3819E+01 2.3548E+00 6.1658E+00 O6 3220 15.999400 -0.847600 6.3371E+00 1.0003E+01 6.1887E+00 H1 3221 1.008000 0.423800 6.9203E+00 1.0744E+01 5.8560E+00 H2 3222 1.008000 0.423800 5.4312E+00 1.0079E+01 5.7721E+00 O6 3223 15.999400 -0.847600 -1.4906E+01 -1.1543E+01 -1.0575E+01 H1 3224 1.008000 0.423800 -1.4808E+01 -1.2439E+01 -1.0142E+01 H2 3225 1.008000 0.423800 -1.4041E+01 -1.1281E+01 -1.1001E+01 O6 3226 15.999400 -0.847600 6.9656E-01 1.5223E+01 1.5303E+01 H1 3227 1.008000 0.423800 5.3071E-01 1.5691E+01 1.4436E+01 H2 3228 1.008000 0.423800 5.0479E-01 1.5847E+01 1.6061E+01 O6 3229 15.999400 -0.847600 7.2725E+00 -1.7587E+00 -1.0653E+01 H1 3230 1.008000 0.423800 7.4561E+00 -2.7402E+00 -1.0600E+01 H2 3231 1.008000 0.423800 7.5656E+00 -1.4130E+00 -1.1545E+01 O6 3232 15.999400 -0.847600 -1.7803E+01 1.2218E-01 1.3173E+01 H1 3233 1.008000 0.423800 -1.7251E+01 -6.8256E-01 1.3394E+01 H2 3234 1.008000 0.423800 -1.7778E+01 2.8265E-01 1.2187E+01 O6 3235 15.999400 -0.847600 1.3464E+01 8.8319E+00 -4.2178E+00 H1 3236 1.008000 0.423800 1.3247E+01 7.9688E+00 -3.7615E+00 H2 3237 1.008000 0.423800 1.4440E+01 9.0242E+00 -4.1213E+00 O6 3238 15.999400 -0.847600 -1.5369E+01 1.8315E+01 -4.5660E+00 H1 3239 1.008000 0.423800 -1.6271E+01 1.8295E+01 -4.9981E+00 H2 3240 1.008000 0.423800 -1.4685E+01 1.8602E+01 -5.2361E+00 O6 3241 15.999400 -0.847600 1.2164E+01 1.2809E+01 -1.3716E+01 H1 3242 1.008000 0.423800 1.2566E+01 1.3173E+01 -1.2876E+01 H2 3243 1.008000 0.423800 1.1518E+01 1.3473E+01 -1.4092E+01 O6 3244 15.999400 -0.847600 -1.0449E+01 -1.7222E+01 -1.5874E+01 H1 3245 1.008000 0.423800 -1.1400E+01 -1.7525E+01 -1.5813E+01 H2 3246 1.008000 0.423800 -9.9130E+00 -1.7904E+01 -1.6371E+01 O6 3247 15.999400 -0.847600 -2.3688E-01 -1.5130E+01 6.7690E+00 H1 3248 1.008000 0.423800 -2.1260E-01 -1.5975E+01 6.2334E+00 H2 3249 1.008000 0.423800 1.6902E-01 -1.5294E+01 7.6681E+00 O6 3250 15.999400 -0.847600 -4.9711E+00 6.8873E+00 4.7970E+00 H1 3251 1.008000 0.423800 -4.1593E+00 6.8441E+00 4.2146E+00 H2 3252 1.008000 0.423800 -5.6573E+00 7.4755E+00 4.3691E+00 O6 3253 15.999400 -0.847600 1.8824E+01 -1.8953E+01 -3.7568E+00 H1 3254 1.008000 0.423800 1.8299E+01 -1.8104E+01 -3.8176E+00 H2 3255 1.008000 0.423800 1.9296E+01 -1.8991E+01 -2.8761E+00 O6 3256 15.999400 -0.847600 1.6733E+01 -1.5423E+00 9.2584E+00 H1 3257 1.008000 0.423800 1.6976E+01 -1.7470E+00 1.0207E+01 H2 3258 1.008000 0.423800 1.6901E+01 -5.7410E-01 9.0728E+00 O6 3259 15.999400 -0.847600 -1.3233E+01 8.9499E+00 1.2310E+01 H1 3260 1.008000 0.423800 -1.2577E+01 9.4587E+00 1.1753E+01 H2 3261 1.008000 0.423800 -1.4052E+01 8.7584E+00 1.1770E+01 O6 3262 15.999400 -0.847600 -4.2448E+00 -1.6712E+01 8.2271E+00 H1 3263 1.008000 0.423800 -4.8312E+00 -1.6197E+01 8.8526E+00 H2 3264 1.008000 0.423800 -4.4895E+00 -1.7681E+01 8.2625E+00 O6 3265 15.999400 -0.847600 -2.5282E+00 -1.7075E+00 1.7625E+00 H1 3266 1.008000 0.423800 -2.4226E+00 -1.7956E+00 7.7202E-01 H2 3267 1.008000 0.423800 -2.9361E+00 -8.1996E-01 1.9766E+00 O6 3268 15.999400 -0.847600 8.7914E+00 -1.3323E+01 8.9005E+00 H1 3269 1.008000 0.423800 8.8258E+00 -1.4305E+01 8.7182E+00 H2 3270 1.008000 0.423800 8.2929E+00 -1.2864E+01 8.1646E+00 O6 3271 15.999400 -0.847600 -4.5008E+00 -6.7387E+00 -1.8244E+01 H1 3272 1.008000 0.423800 -4.6722E+00 -6.7658E+00 -1.9228E+01 H2 3273 1.008000 0.423800 -3.8505E+00 -6.0073E+00 -1.8038E+01 O6 3274 15.999400 -0.847600 -3.7115E+00 -6.4802E+00 1.4494E+01 H1 3275 1.008000 0.423800 -4.3799E+00 -6.2860E+00 1.3776E+01 H2 3276 1.008000 0.423800 -2.9094E+00 -5.8963E+00 1.4370E+01 O6 3277 15.999400 -0.847600 1.3698E+01 -1.8575E+01 1.9546E+01 H1 3278 1.008000 0.423800 1.3464E+01 -1.7822E+01 1.8931E+01 H2 3279 1.008000 0.423800 1.3686E+01 -1.9436E+01 1.9039E+01 O6 3280 15.999400 -0.847600 -1.0339E+01 2.1008E+00 -6.0557E+00 H1 3281 1.008000 0.423800 -9.8393E+00 2.3864E+00 -5.2378E+00 H2 3282 1.008000 0.423800 -9.8884E+00 2.4718E+00 -6.8678E+00 O6 3283 15.999400 -0.847600 -1.5347E+01 -1.3074E-01 7.6255E+00 H1 3284 1.008000 0.423800 -1.4903E+01 4.7381E-01 8.2872E+00 H2 3285 1.008000 0.423800 -1.5923E+01 4.1074E-01 7.0136E+00 O6 3286 15.999400 -0.847600 1.3511E+01 -3.9621E+00 -1.4759E+01 H1 3287 1.008000 0.423800 1.2562E+01 -4.0783E+00 -1.5053E+01 H2 3288 1.008000 0.423800 1.4118E+01 -4.0599E+00 -1.5548E+01 O6 3289 15.999400 -0.847600 -2.6393E+00 -1.6822E+01 -4.2960E-01 H1 3290 1.008000 0.423800 -2.4445E+00 -1.7792E+01 -2.8409E-01 H2 3291 1.008000 0.423800 -2.2345E+00 -1.6286E+01 3.1124E-01 O6 3292 15.999400 -0.847600 7.2537E+00 2.6823E+00 1.0515E+01 H1 3293 1.008000 0.423800 8.0995E+00 3.1997E+00 1.0385E+01 H2 3294 1.008000 0.423800 6.7251E+00 3.0894E+00 1.1260E+01 O6 3295 15.999400 -0.847600 -1.6853E+01 1.2005E+01 1.9461E+01 H1 3296 1.008000 0.423800 -1.6652E+01 1.1032E+01 -1.9521E+01 H2 3297 1.008000 0.423800 -1.7792E+01 1.2115E+01 1.9135E+01 O6 3298 15.999400 -0.847600 -1.3458E+01 -1.7841E+00 -2.5498E+00 H1 3299 1.008000 0.423800 -1.4136E+01 -1.5079E+00 -1.8691E+00 H2 3300 1.008000 0.423800 -1.3893E+01 -2.3647E+00 -3.2378E+00 O6 3301 15.999400 -0.847600 -1.6220E+01 -8.0608E+00 1.9450E+01 H1 3302 1.008000 0.423800 -1.6928E+01 -8.5673E+00 -1.9156E+01 H2 3303 1.008000 0.423800 -1.6378E+01 -8.1367E+00 1.8465E+01 O6 3304 15.999400 -0.847600 -8.7009E+00 -1.3647E+01 3.6080E+00 H1 3305 1.008000 0.423800 -9.5033E+00 -1.3118E+01 3.3314E+00 H2 3306 1.008000 0.423800 -8.4079E+00 -1.4229E+01 2.8495E+00 O6 3307 15.999400 -0.847600 1.3036E+00 5.9609E+00 5.4766E+00 H1 3308 1.008000 0.423800 1.0441E+00 5.4455E+00 6.2934E+00 H2 3309 1.008000 0.423800 5.5524E-01 6.5707E+00 5.2157E+00 O6 3310 15.999400 -0.847600 -1.1377E+01 3.5137E+00 4.2708E+00 H1 3311 1.008000 0.423800 -1.1676E+01 3.9414E+00 3.4178E+00 H2 3312 1.008000 0.423800 -1.1148E+01 2.5554E+00 4.1005E+00 O6 3313 15.999400 -0.847600 1.0047E+01 1.0630E+01 1.4424E+01 H1 3314 1.008000 0.423800 9.4811E+00 1.1380E+01 1.4082E+01 H2 3315 1.008000 0.423800 1.0862E+01 1.0539E+01 1.3850E+01 O6 3316 15.999400 -0.847600 -6.2068E+00 -9.1135E+00 1.1545E+01 H1 3317 1.008000 0.423800 -7.0260E+00 -8.6319E+00 1.1234E+01 H2 3318 1.008000 0.423800 -6.1597E+00 -9.0799E+00 1.2544E+01 O6 3319 15.999400 -0.847600 -4.2276E+00 1.8164E+01 1.0904E+01 H1 3320 1.008000 0.423800 -3.5879E+00 1.7454E+01 1.1196E+01 H2 3321 1.008000 0.423800 -4.3140E+00 1.8852E+01 1.1625E+01 O6 3322 15.999400 -0.847600 1.3832E+00 -4.7844E+00 -7.6126E+00 H1 3323 1.008000 0.423800 2.2912E+00 -4.5208E+00 -7.2869E+00 H2 3324 1.008000 0.423800 1.4239E+00 -4.9776E+00 -8.5929E+00 O6 3325 15.999400 -0.847600 1.2803E+01 -7.2702E+00 -1.1168E+01 H1 3326 1.008000 0.423800 1.1903E+01 -6.8974E+00 -1.1394E+01 H2 3327 1.008000 0.423800 1.3514E+01 -6.6787E+00 -1.1548E+01 O6 3328 15.999400 -0.847600 -1.5027E+01 1.2190E+01 -1.7367E+01 H1 3329 1.008000 0.423800 -1.5692E+01 1.2309E+01 -1.8105E+01 H2 3330 1.008000 0.423800 -1.5210E+01 1.2855E+01 -1.6643E+01 O6 3331 15.999400 -0.847600 -3.3753E+00 -4.0469E+00 -1.7910E+01 H1 3332 1.008000 0.423800 -4.1694E+00 -3.4662E+00 -1.7731E+01 H2 3333 1.008000 0.423800 -3.0873E+00 -3.9329E+00 -1.8861E+01 O6 3334 15.999400 -0.847600 8.5989E-01 8.2296E+00 -1.9478E+01 H1 3335 1.008000 0.423800 1.7987E-01 7.6815E+00 -1.8991E+01 H2 3336 1.008000 0.423800 5.7609E-01 8.3439E+00 1.8667E+01 O6 3337 15.999400 -0.847600 2.6424E-01 -1.2991E+01 -1.8207E+01 H1 3338 1.008000 0.423800 -4.3205E-01 -1.2650E+01 -1.7575E+01 H2 3339 1.008000 0.423800 9.2720E-01 -1.2266E+01 -1.8394E+01 O6 3340 15.999400 -0.847600 6.1260E+00 4.2422E+00 -1.8523E+01 H1 3341 1.008000 0.423800 5.3448E+00 3.6339E+00 -1.8663E+01 H2 3342 1.008000 0.423800 5.8086E+00 5.1090E+00 -1.8139E+01 O6 3343 15.999400 -0.847600 1.2289E+01 1.6477E+01 -6.2384E+00 H1 3344 1.008000 0.423800 1.3024E+01 1.7142E+01 -6.1022E+00 H2 3345 1.008000 0.423800 1.2453E+01 1.5968E+01 -7.0835E+00 O6 3346 15.999400 -0.847600 7.7651E+00 -1.7473E+01 -7.8232E+00 H1 3347 1.008000 0.423800 6.9871E+00 -1.7066E+01 -7.3444E+00 H2 3348 1.008000 0.423800 7.4760E+00 -1.8319E+01 -8.2694E+00 O6 3349 15.999400 -0.847600 -1.2926E+01 -1.3567E+01 -1.4368E+01 H1 3350 1.008000 0.423800 -1.2385E+01 -1.2730E+01 -1.4450E+01 H2 3351 1.008000 0.423800 -1.3610E+01 -1.3453E+01 -1.3647E+01 O6 3352 15.999400 -0.847600 1.3191E+01 -1.7787E+01 1.1547E+01 H1 3353 1.008000 0.423800 1.3435E+01 -1.7274E+01 1.2370E+01 H2 3354 1.008000 0.423800 1.2385E+01 -1.8349E+01 1.1731E+01 O6 3355 15.999400 -0.847600 4.2657E+00 -7.7483E+00 -8.7528E+00 H1 3356 1.008000 0.423800 3.5756E+00 -7.5015E+00 -8.0725E+00 H2 3357 1.008000 0.423800 5.0799E+00 -8.0986E+00 -8.2897E+00 O6 3358 15.999400 -0.847600 3.3355E+00 9.9735E+00 -1.5953E+01 H1 3359 1.008000 0.423800 4.3307E+00 1.0010E+01 -1.5862E+01 H2 3360 1.008000 0.423800 2.9799E+00 9.2064E+00 -1.5419E+01 O6 3361 15.999400 -0.847600 1.4098E+01 8.1290E+00 1.5349E+01 H1 3362 1.008000 0.423800 1.4398E+01 9.0299E+00 1.5663E+01 H2 3363 1.008000 0.423800 1.4895E+01 7.5368E+00 1.5227E+01 O6 3364 15.999400 -0.847600 9.1862E+00 1.4513E+01 -1.7361E+01 H1 3365 1.008000 0.423800 8.4552E+00 1.4226E+01 -1.6742E+01 H2 3366 1.008000 0.423800 9.3568E+00 1.5491E+01 -1.7244E+01 O6 3367 15.999400 -0.847600 6.9195E+00 -9.3366E+00 4.4673E+00 H1 3368 1.008000 0.423800 7.8741E+00 -9.2027E+00 4.7333E+00 H2 3369 1.008000 0.423800 6.6703E+00 -8.6643E+00 3.7703E+00 O6 3370 15.999400 -0.847600 1.3374E+01 -6.2972E+00 -8.0042E+00 H1 3371 1.008000 0.423800 1.3840E+01 -7.1436E+00 -8.2620E+00 H2 3372 1.008000 0.423800 1.3226E+01 -5.7364E+00 -8.8189E+00 O6 3373 15.999400 -0.847600 9.4635E+00 8.9778E+00 1.9872E+00 H1 3374 1.008000 0.423800 9.0837E+00 9.8526E+00 2.2881E+00 H2 3375 1.008000 0.423800 8.7777E+00 8.2593E+00 2.1028E+00 O6 3376 15.999400 -0.847600 -1.4124E+01 2.1885E+00 1.8925E+01 H1 3377 1.008000 0.423800 -1.4242E+01 2.2455E+00 1.7934E+01 H2 3378 1.008000 0.423800 -1.4725E+01 2.8516E+00 1.9371E+01 O6 3379 15.999400 -0.847600 8.1260E+00 9.7257E-01 5.2278E+00 H1 3380 1.008000 0.423800 7.1392E+00 9.4604E-01 5.0676E+00 H2 3381 1.008000 0.423800 8.3062E+00 1.3537E+00 6.1345E+00 O6 3382 15.999400 -0.847600 -1.4237E+00 1.1935E+00 6.7415E+00 H1 3383 1.008000 0.423800 -1.3836E+00 4.0559E-01 6.1269E+00 H2 3384 1.008000 0.423800 -5.6845E-01 1.2590E+00 7.2556E+00 O6 3385 15.999400 -0.847600 -1.6157E+01 3.3958E+00 1.1214E+01 H1 3386 1.008000 0.423800 -1.5365E+01 3.8841E+00 1.1582E+01 H2 3387 1.008000 0.423800 -1.6492E+01 3.8692E+00 1.0399E+01 O6 3388 15.999400 -0.847600 1.5159E+01 -1.1642E+01 -1.1356E+01 H1 3389 1.008000 0.423800 1.5394E+01 -1.2541E+01 -1.1724E+01 H2 3390 1.008000 0.423800 1.4165E+01 -1.1530E+01 -1.1360E+01 O6 3391 15.999400 -0.847600 -8.5450E+00 9.4986E+00 4.4473E+00 H1 3392 1.008000 0.423800 -7.7791E+00 9.2698E+00 5.0482E+00 H2 3393 1.008000 0.423800 -8.2028E+00 9.9775E+00 3.6389E+00 O6 3394 15.999400 -0.847600 1.8666E+01 1.4031E+01 6.1182E+00 H1 3395 1.008000 0.423800 1.9524E+01 1.3574E+01 6.3499E+00 H2 3396 1.008000 0.423800 1.8772E+01 1.4522E+01 5.2537E+00 O6 3397 15.999400 -0.847600 -1.0571E+01 -6.4748E+00 1.8459E+01 H1 3398 1.008000 0.423800 -1.0713E+01 -6.9224E+00 1.7576E+01 H2 3399 1.008000 0.423800 -1.0479E+01 -5.4886E+00 1.8322E+01 O6 3400 15.999400 -0.847600 -1.3376E+01 5.6223E+00 -1.1974E+01 H1 3401 1.008000 0.423800 -1.3993E+01 6.1609E+00 -1.2548E+01 H2 3402 1.008000 0.423800 -1.2569E+01 6.1679E+00 -1.1750E+01 O6 3403 15.999400 -0.847600 8.0611E+00 -1.7720E+01 -1.6375E+01 H1 3404 1.008000 0.423800 8.0304E+00 -1.7066E+01 -1.5619E+01 H2 3405 1.008000 0.423800 7.1489E+00 -1.7811E+01 -1.6774E+01 O6 3406 15.999400 -0.847600 -1.8792E+01 1.5492E+01 1.5007E+01 H1 3407 1.008000 0.423800 -1.9351E+01 1.6313E+01 1.4889E+01 H2 3408 1.008000 0.423800 -1.9229E+01 1.4883E+01 1.5669E+01 O6 3409 15.999400 -0.847600 1.9214E+01 -1.1879E+01 2.7544E+00 H1 3410 1.008000 0.423800 1.8502E+01 -1.2572E+01 2.6368E+00 H2 3411 1.008000 0.423800 1.8839E+01 -1.0977E+01 2.5429E+00 O6 3412 15.999400 -0.847600 4.6422E+00 -1.3618E+01 8.1038E+00 H1 3413 1.008000 0.423800 4.6764E+00 -1.4606E+01 7.9570E+00 H2 3414 1.008000 0.423800 4.5443E+00 -1.3429E+01 9.0810E+00 O6 3415 15.999400 -0.847600 -1.0980E+01 1.3089E+01 -1.5238E+01 H1 3416 1.008000 0.423800 -1.1080E+01 1.3403E+01 -1.4294E+01 H2 3417 1.008000 0.423800 -1.1770E+01 1.2531E+01 -1.5489E+01 O6 3418 15.999400 -0.847600 -1.7752E+01 1.3206E+01 2.1656E+00 H1 3419 1.008000 0.423800 -1.8163E+01 1.2649E+01 2.8879E+00 H2 3420 1.008000 0.423800 -1.6758E+01 1.3103E+01 2.1893E+00 O6 3421 15.999400 -0.847600 9.0344E+00 -1.7088E+00 1.7887E+01 H1 3422 1.008000 0.423800 8.8490E+00 -1.9654E+00 1.8835E+01 H2 3423 1.008000 0.423800 9.0963E+00 -2.5335E+00 1.7324E+01 O6 3424 15.999400 -0.847600 1.9181E+01 7.0436E+00 1.4088E+01 H1 3425 1.008000 0.423800 1.8621E+01 7.8438E+00 1.3875E+01 H2 3426 1.008000 0.423800 1.9251E+01 6.4603E+00 1.3279E+01 O6 3427 15.999400 -0.847600 1.7221E+01 -1.1546E+01 -6.0016E+00 H1 3428 1.008000 0.423800 1.6760E+01 -1.0670E+01 -6.1458E+00 H2 3429 1.008000 0.423800 1.6547E+01 -1.2284E+01 -6.0248E+00 O6 3430 15.999400 -0.847600 1.1742E+00 -1.5403E+01 -1.7209E+00 H1 3431 1.008000 0.423800 1.2982E+00 -1.6013E+01 -9.3843E-01 H2 3432 1.008000 0.423800 1.9763E+00 -1.4813E+01 -1.8139E+00 O6 3433 15.999400 -0.847600 -1.2237E+01 1.1963E+01 -1.0754E+01 H1 3434 1.008000 0.423800 -1.2412E+01 1.1742E+01 -9.7947E+00 H2 3435 1.008000 0.423800 -1.2948E+01 1.2582E+01 -1.1089E+01 O6 3436 15.999400 -0.847600 1.6252E+01 1.8300E+01 1.4386E+01 H1 3437 1.008000 0.423800 1.5352E+01 1.7865E+01 1.4341E+01 H2 3438 1.008000 0.423800 1.6741E+01 1.8144E+01 1.3528E+01 O6 3439 15.999400 -0.847600 -8.3142E+00 1.2616E+01 1.7155E+01 H1 3440 1.008000 0.423800 -7.9477E+00 1.3531E+01 1.6985E+01 H2 3441 1.008000 0.423800 -7.5592E+00 1.1972E+01 1.7279E+01 O6 3442 15.999400 -0.847600 -1.3139E+01 4.5080E+00 1.5816E+01 H1 3443 1.008000 0.423800 -1.3469E+01 3.5640E+00 1.5828E+01 H2 3444 1.008000 0.423800 -1.2192E+01 4.5261E+00 1.5497E+01 O6 3445 15.999400 -0.847600 -1.0358E+01 -5.4972E-01 -3.3426E+00 H1 3446 1.008000 0.423800 -9.4323E+00 -3.5299E-01 -3.6652E+00 H2 3447 1.008000 0.423800 -1.0858E+01 3.0785E-01 -3.2208E+00 O6 3448 15.999400 -0.847600 -1.4629E+01 8.5730E-01 1.0161E+01 H1 3449 1.008000 0.423800 -1.4316E+01 1.7771E+00 9.9240E+00 H2 3450 1.008000 0.423800 -1.5595E+01 8.8988E-01 1.0418E+01 O6 3451 15.999400 -0.847600 -1.1148E+01 -5.4701E+00 -7.6865E+00 H1 3452 1.008000 0.423800 -1.0310E+01 -4.9412E+00 -7.5558E+00 H2 3453 1.008000 0.423800 -1.1941E+01 -4.8687E+00 -7.5857E+00 O6 3454 15.999400 -0.847600 8.1718E+00 1.5925E+01 1.2598E+01 H1 3455 1.008000 0.423800 9.1696E+00 1.5991E+01 1.2594E+01 H2 3456 1.008000 0.423800 7.8968E+00 1.5015E+01 1.2286E+01 O6 3457 15.999400 -0.847600 1.8649E+01 9.9648E+00 -1.0261E+01 H1 3458 1.008000 0.423800 1.7896E+01 9.3617E+00 -9.9992E+00 H2 3459 1.008000 0.423800 1.9507E+01 9.6049E+00 -9.8945E+00 O6 3460 15.999400 -0.847600 -1.4025E+01 -6.3268E-02 4.0827E+00 H1 3461 1.008000 0.423800 -1.4440E+01 8.2410E-01 4.2837E+00 H2 3462 1.008000 0.423800 -1.3038E+01 4.7898E-02 3.9733E+00 O6 3463 15.999400 -0.847600 1.3328E+01 -5.5175E+00 2.2200E+00 H1 3464 1.008000 0.423800 1.2422E+01 -5.2262E+00 1.9141E+00 H2 3465 1.008000 0.423800 1.3745E+01 -4.7902E+00 2.7648E+00 O6 3466 15.999400 -0.847600 -1.4114E+01 -9.9113E+00 1.9234E+01 H1 3467 1.008000 0.423800 -1.4567E+01 -9.0816E+00 -1.9537E+01 H2 3468 1.008000 0.423800 -1.4311E+01 -1.0667E+01 -1.9238E+01 O6 3469 15.999400 -0.847600 -9.3381E+00 6.3398E+00 -1.8428E+01 H1 3470 1.008000 0.423800 -9.3329E+00 5.3521E+00 -1.8584E+01 H2 3471 1.008000 0.423800 -1.0258E+01 6.6307E+00 -1.8165E+01 O6 3472 15.999400 -0.847600 -9.3739E+00 4.6128E+00 5.8210E+00 H1 3473 1.008000 0.423800 -1.0200E+01 4.2329E+00 5.4049E+00 H2 3474 1.008000 0.423800 -9.4965E+00 4.6717E+00 6.8116E+00 O6 3475 15.999400 -0.847600 -3.3353E+00 8.9862E+00 1.7087E+01 H1 3476 1.008000 0.423800 -3.5915E+00 9.7133E+00 1.6450E+01 H2 3477 1.008000 0.423800 -3.6570E+00 8.1069E+00 1.6736E+01 O6 3478 15.999400 -0.847600 -1.4687E+01 -5.7297E+00 -1.9245E+01 H1 3479 1.008000 0.423800 -1.3823E+01 -5.9908E+00 -1.8816E+01 H2 3480 1.008000 0.423800 -1.5262E+01 -6.5406E+00 -1.9358E+01 O6 3481 15.999400 -0.847600 1.7521E+00 1.7114E+01 -7.7017E+00 H1 3482 1.008000 0.423800 1.5610E+00 1.6993E+01 -6.7276E+00 H2 3483 1.008000 0.423800 1.6531E+00 1.6237E+01 -8.1722E+00 O6 3484 15.999400 -0.847600 -1.1923E+01 -1.2677E+01 1.5006E+01 H1 3485 1.008000 0.423800 -1.1919E+01 -1.3233E+01 1.5838E+01 H2 3486 1.008000 0.423800 -1.0987E+01 -1.2409E+01 1.4780E+01 O6 3487 15.999400 -0.847600 -9.0335E+00 -1.7995E+01 1.2655E-01 H1 3488 1.008000 0.423800 -9.7684E+00 -1.7752E+01 -5.0682E-01 H2 3489 1.008000 0.423800 -9.2694E+00 -1.8842E+01 6.0186E-01 O6 3490 15.999400 -0.847600 -1.7526E+01 1.5005E+01 4.9566E-02 H1 3491 1.008000 0.423800 -1.7780E+01 1.4395E+01 8.0033E-01 H2 3492 1.008000 0.423800 -1.7800E+01 1.5940E+01 2.7328E-01 O6 3493 15.999400 -0.847600 -1.1049E+01 -1.3785E+01 -6.3076E+00 H1 3494 1.008000 0.423800 -1.0348E+01 -1.3186E+01 -5.9208E+00 H2 3495 1.008000 0.423800 -1.1955E+01 -1.3429E+01 -6.0778E+00 O6 3496 15.999400 -0.847600 -7.8165E+00 1.3006E+01 -1.2716E+01 H1 3497 1.008000 0.423800 -7.1036E+00 1.3695E+01 -1.2848E+01 H2 3498 1.008000 0.423800 -8.5378E+00 1.3138E+01 -1.3396E+01 O6 3499 15.999400 -0.847600 -1.4133E+01 1.4013E+01 -1.1458E+01 H1 3500 1.008000 0.423800 -1.4713E+01 1.4516E+01 -1.2099E+01 H2 3501 1.008000 0.423800 -1.3492E+01 1.4644E+01 -1.1022E+01 O6 3502 15.999400 -0.847600 -2.8411E+00 -6.1722E+00 -7.8294E+00 H1 3503 1.008000 0.423800 -3.7638E+00 -6.5400E+00 -7.7138E+00 H2 3504 1.008000 0.423800 -2.2039E+00 -6.9214E+00 -8.0102E+00 O6 3505 15.999400 -0.847600 1.0329E+01 -1.3348E+01 1.5700E+01 H1 3506 1.008000 0.423800 9.9407E+00 -1.2890E+01 1.6500E+01 H2 3507 1.008000 0.423800 1.0470E+01 -1.2680E+01 1.4969E+01 O6 3508 15.999400 -0.847600 -1.6247E+01 1.8742E+01 9.4784E+00 H1 3509 1.008000 0.423800 -1.5917E+01 1.8260E+01 1.0290E+01 H2 3510 1.008000 0.423800 -1.6307E+01 1.8103E+01 8.7118E+00 O6 3511 15.999400 -0.847600 1.9874E+00 -4.5659E+00 2.7467E+00 H1 3512 1.008000 0.423800 1.7710E+00 -4.7527E+00 3.7050E+00 H2 3513 1.008000 0.423800 2.1886E+00 -5.4254E+00 2.2769E+00 O6 3514 15.999400 -0.847600 1.7163E+01 1.1022E+00 1.1670E+01 H1 3515 1.008000 0.423800 1.6167E+01 1.0776E+00 1.1755E+01 H2 3516 1.008000 0.423800 1.7562E+01 3.6724E-01 1.2218E+01 O6 3517 15.999400 -0.847600 3.5995E+00 4.0083E+00 -2.0121E+00 H1 3518 1.008000 0.423800 3.0739E+00 4.8340E+00 -1.8070E+00 H2 3519 1.008000 0.423800 4.4003E+00 4.2504E+00 -2.5598E+00 O6 3520 15.999400 -0.847600 -1.3987E+01 5.2842E+00 1.2234E+01 H1 3521 1.008000 0.423800 -1.4685E+01 5.2960E+00 1.2950E+01 H2 3522 1.008000 0.423800 -1.3139E+01 4.9015E+00 1.2601E+01 O6 3523 15.999400 -0.847600 -1.4739E+01 1.0518E+01 1.7228E+01 H1 3524 1.008000 0.423800 -1.4176E+01 1.0138E+01 1.6495E+01 H2 3525 1.008000 0.423800 -1.5102E+01 1.1405E+01 1.6945E+01 O6 3526 15.999400 -0.847600 -1.9151E+01 7.2774E+00 -1.4154E+01 H1 3527 1.008000 0.423800 1.9155E+01 7.7852E+00 -1.3814E+01 H2 3528 1.008000 0.423800 -1.8759E+01 7.7572E+00 -1.4939E+01 O6 3529 15.999400 -0.847600 1.4636E+00 5.9535E+00 -1.6894E+01 H1 3530 1.008000 0.423800 8.6097E-01 5.1769E+00 -1.7077E+01 H2 3531 1.008000 0.423800 1.9718E+00 6.1845E+00 -1.7723E+01 O6 3532 15.999400 -0.847600 1.7576E+00 -1.2723E+01 3.0583E+00 H1 3533 1.008000 0.423800 1.2713E+00 -1.1952E+01 2.6470E+00 H2 3534 1.008000 0.423800 1.7538E+00 -1.2627E+01 4.0537E+00 O6 3535 15.999400 -0.847600 -4.2774E+00 1.3152E+01 2.9274E+00 H1 3536 1.008000 0.423800 -4.0645E+00 1.2191E+01 3.0998E+00 H2 3537 1.008000 0.423800 -5.2433E+00 1.3241E+01 2.6839E+00 O6 3538 15.999400 -0.847600 -1.1456E+01 -1.1228E+01 -3.7882E+00 H1 3539 1.008000 0.423800 -1.1577E+01 -1.0324E+01 -4.1993E+00 H2 3540 1.008000 0.423800 -1.1971E+01 -1.1276E+01 -2.9320E+00 O6 3541 15.999400 -0.847600 1.6597E+01 1.2207E+01 6.1082E+00 H1 3542 1.008000 0.423800 1.5688E+01 1.2605E+01 5.9943E+00 H2 3543 1.008000 0.423800 1.7286E+01 1.2930E+01 6.0641E+00 O6 3544 15.999400 -0.847600 3.9532E+00 1.6374E+01 -5.7515E+00 H1 3545 1.008000 0.423800 4.4830E+00 1.6593E+01 -6.5708E+00 H2 3546 1.008000 0.423800 3.1392E+00 1.6954E+01 -5.7161E+00 O6 3547 15.999400 -0.847600 1.3499E+01 1.8275E+01 7.9887E-01 H1 3548 1.008000 0.423800 1.4407E+01 1.8690E+01 7.4027E-01 H2 3549 1.008000 0.423800 1.2802E+01 1.8991E+01 7.6237E-01 O6 3550 15.999400 -0.847600 2.9962E+00 -9.2638E+00 8.0205E+00 H1 3551 1.008000 0.423800 2.6631E+00 -8.9011E+00 8.8908E+00 H2 3552 1.008000 0.423800 3.8797E+00 -9.7104E+00 8.1619E+00 O6 3553 15.999400 -0.847600 -4.9645E+00 -5.9687E+00 1.2143E+01 H1 3554 1.008000 0.423800 -5.7426E+00 -6.1057E+00 1.1530E+01 H2 3555 1.008000 0.423800 -4.1129E+00 -6.0818E+00 1.1631E+01 O6 3556 15.999400 -0.847600 -8.8137E+00 1.5528E+01 1.6532E+01 H1 3557 1.008000 0.423800 -8.3605E+00 1.6417E+01 1.6596E+01 H2 3558 1.008000 0.423800 -8.5794E+00 1.5097E+01 1.5660E+01 O6 3559 15.999400 -0.847600 9.0799E+00 -5.5316E+00 1.8762E+01 H1 3560 1.008000 0.423800 9.5403E+00 -4.6639E+00 1.8949E+01 H2 3561 1.008000 0.423800 8.7045E+00 -5.9003E+00 -1.9486E+01 O6 3562 15.999400 -0.847600 -3.9863E+00 -7.5616E-01 5.0237E+00 H1 3563 1.008000 0.423800 -4.5303E+00 -8.7910E-01 4.1936E+00 H2 3564 1.008000 0.423800 -3.1419E+00 -1.2869E+00 4.9505E+00 O6 3565 15.999400 -0.847600 -5.0921E+00 1.4946E+01 6.6096E+00 H1 3566 1.008000 0.423800 -5.5354E+00 1.4899E+01 7.5047E+00 H2 3567 1.008000 0.423800 -4.5818E+00 1.5803E+01 6.5352E+00 O6 3568 15.999400 -0.847600 1.2073E+01 3.9998E+00 -1.6688E+01 H1 3569 1.008000 0.423800 1.1805E+01 3.2506E+00 -1.6083E+01 H2 3570 1.008000 0.423800 1.1882E+01 4.8739E+00 -1.6241E+01 O6 3571 15.999400 -0.847600 1.7550E+01 -5.3826E+00 -6.5139E+00 H1 3572 1.008000 0.423800 1.7241E+01 -4.7628E+00 -7.2351E+00 H2 3573 1.008000 0.423800 1.8105E+01 -6.1113E+00 -6.9158E+00 O6 3574 15.999400 -0.847600 -9.7569E+00 -4.9550E+00 -1.7274E+01 H1 3575 1.008000 0.423800 -1.0681E+01 -4.8361E+00 -1.6911E+01 H2 3576 1.008000 0.423800 -9.6024E+00 -5.9208E+00 -1.7482E+01 O6 3577 15.999400 -0.847600 -9.1123E+00 -1.0003E+01 6.6692E+00 H1 3578 1.008000 0.423800 -9.1124E+00 -9.8377E+00 5.6830E+00 H2 3579 1.008000 0.423800 -8.3733E+00 -9.4809E+00 7.0947E+00 O6 3580 15.999400 -0.847600 -9.2155E+00 6.2917E+00 -4.0453E+00 H1 3581 1.008000 0.423800 -9.3753E+00 5.9051E+00 -4.9536E+00 H2 3582 1.008000 0.423800 -8.4039E+00 5.8696E+00 -3.6415E+00 O6 3583 15.999400 -0.847600 -1.2107E+01 1.5041E+00 -9.7344E+00 H1 3584 1.008000 0.423800 -1.1693E+01 1.5364E+00 -1.0644E+01 H2 3585 1.008000 0.423800 -1.2173E+01 2.4311E+00 -9.3653E+00 O6 3586 15.999400 -0.847600 -6.1823E+00 5.6088E+00 -6.4269E+00 H1 3587 1.008000 0.423800 -6.3032E+00 5.5796E+00 -7.4192E+00 H2 3588 1.008000 0.423800 -5.9753E+00 6.5453E+00 -6.1438E+00 O6 3589 15.999400 -0.847600 8.6178E+00 3.9934E+00 6.7419E+00 H1 3590 1.008000 0.423800 9.1845E+00 4.4791E+00 7.4074E+00 H2 3591 1.008000 0.423800 7.8857E+00 3.5075E+00 7.2192E+00 O6 3592 15.999400 -0.847600 1.4584E+01 -9.4652E+00 -1.3464E+01 H1 3593 1.008000 0.423800 1.3677E+01 -9.7908E+00 -1.3195E+01 H2 3594 1.008000 0.423800 1.5243E+01 -1.0213E+01 -1.3385E+01 O6 3595 15.999400 -0.847600 -5.6283E+00 -6.4878E+00 2.6084E+00 H1 3596 1.008000 0.423800 -5.9638E+00 -7.4210E+00 2.4790E+00 H2 3597 1.008000 0.423800 -4.6411E+00 -6.4638E+00 2.4507E+00 O6 3598 15.999400 -0.847600 -1.0802E+01 -5.0875E+00 -1.1597E+01 H1 3599 1.008000 0.423800 -9.8035E+00 -5.1020E+00 -1.1649E+01 H2 3600 1.008000 0.423800 -1.1136E+01 -4.1786E+00 -1.1848E+01 O6 3601 15.999400 -0.847600 1.4887E+01 1.7103E+01 -3.4116E+00 H1 3602 1.008000 0.423800 1.4441E+01 1.6354E+01 -2.9208E+00 H2 3603 1.008000 0.423800 1.4744E+01 1.6988E+01 -4.3947E+00 O6 3604 15.999400 -0.847600 -1.2866E+01 1.1122E+01 -1.6126E+01 H1 3605 1.008000 0.423800 -1.3570E+01 1.1681E+01 -1.6563E+01 H2 3606 1.008000 0.423800 -1.2287E+01 1.0706E+01 -1.6827E+01 O6 3607 15.999400 -0.847600 9.6573E+00 2.6547E+00 -7.6617E-01 H1 3608 1.008000 0.423800 1.0051E+01 2.4186E+00 1.2209E-01 H2 3609 1.008000 0.423800 8.9947E+00 3.3947E+00 -6.5069E-01 O6 3610 15.999400 -0.847600 1.9098E+01 1.2349E+01 -7.7886E-01 H1 3611 1.008000 0.423800 -1.9348E+01 1.3098E+01 -6.5786E-01 H2 3612 1.008000 0.423800 1.8499E+01 1.2297E+01 2.0090E-02 O6 3613 15.999400 -0.847600 -1.6680E+01 9.9504E+00 3.2455E+00 H1 3614 1.008000 0.423800 -1.5756E+01 9.9827E+00 3.6253E+00 H2 3615 1.008000 0.423800 -1.6672E+01 1.0318E+01 2.3157E+00 O6 3616 15.999400 -0.847600 -7.2814E+00 1.9228E+01 -4.9706E+00 H1 3617 1.008000 0.423800 -7.9546E+00 1.8889E+01 -5.6278E+00 H2 3618 1.008000 0.423800 -6.7475E+00 -1.9135E+01 -5.3891E+00 O6 3619 15.999400 -0.847600 -5.1556E+00 -1.5723E+01 -6.6403E+00 H1 3620 1.008000 0.423800 -5.1731E+00 -1.5783E+01 -7.6384E+00 H2 3621 1.008000 0.423800 -5.2240E+00 -1.4765E+01 -6.3632E+00 O6 3622 15.999400 -0.847600 -1.5431E+01 -1.5446E+01 1.7688E+01 H1 3623 1.008000 0.423800 -1.5927E+01 -1.4748E+01 1.7171E+01 H2 3624 1.008000 0.423800 -1.5122E+01 -1.6165E+01 1.7065E+01 O6 3625 15.999400 -0.847600 1.0701E+01 -1.6832E+01 -1.3392E+01 H1 3626 1.008000 0.423800 1.1121E+01 -1.7408E+01 -1.4093E+01 H2 3627 1.008000 0.423800 1.0742E+01 -1.5875E+01 -1.3680E+01 O6 3628 15.999400 -0.847600 -4.1573E+00 -1.2263E+01 9.4295E-01 H1 3629 1.008000 0.423800 -3.6320E+00 -1.2704E+01 1.6711E+00 H2 3630 1.008000 0.423800 -4.4184E+00 -1.2946E+01 2.6073E-01 O6 3631 15.999400 -0.847600 1.4949E+01 -7.6319E+00 9.3029E+00 H1 3632 1.008000 0.423800 1.5282E+01 -6.6893E+00 9.2814E+00 H2 3633 1.008000 0.423800 1.5082E+01 -8.0115E+00 1.0218E+01 O6 3634 15.999400 -0.847600 1.1751E+01 7.1561E+00 8.8854E+00 H1 3635 1.008000 0.423800 1.2017E+01 7.0856E+00 9.8467E+00 H2 3636 1.008000 0.423800 1.2053E+01 8.0362E+00 8.5194E+00 O6 3637 15.999400 -0.847600 7.5203E+00 -1.5137E+01 1.5572E+01 H1 3638 1.008000 0.423800 8.0584E+00 -1.4399E+01 1.5979E+01 H2 3639 1.008000 0.423800 7.6482E+00 -1.5135E+01 1.4580E+01 O6 3640 15.999400 -0.847600 5.5565E+00 6.1782E+00 7.7471E+00 H1 3641 1.008000 0.423800 5.5240E+00 6.1951E+00 8.7465E+00 H2 3642 1.008000 0.423800 6.4378E+00 6.5340E+00 7.4363E+00 O6 3643 15.999400 -0.847600 1.2427E+01 1.1237E+01 -1.0294E+01 H1 3644 1.008000 0.423800 1.2214E+01 1.1782E+01 -9.4832E+00 H2 3645 1.008000 0.423800 1.1847E+01 1.0422E+01 -1.0309E+01 O6 3646 15.999400 -0.847600 5.5939E+00 -1.4066E+01 -1.7850E+01 H1 3647 1.008000 0.423800 5.6144E+00 -1.4377E+01 -1.8800E+01 H2 3648 1.008000 0.423800 6.4329E+00 -1.3562E+01 -1.7646E+01 O6 3649 15.999400 -0.847600 -1.6383E+01 1.3783E+01 -2.1398E+00 H1 3650 1.008000 0.423800 -1.6201E+01 1.4148E+01 -3.0526E+00 H2 3651 1.008000 0.423800 -1.6670E+01 1.4526E+01 -1.5345E+00 O6 3652 15.999400 -0.847600 -7.5368E+00 1.8178E+01 1.6808E+01 H1 3653 1.008000 0.423800 -8.4089E+00 1.8659E+01 1.6897E+01 H2 3654 1.008000 0.423800 -6.9091E+00 1.8726E+01 1.6255E+01 O6 3655 15.999400 -0.847600 -6.1402E+00 -1.0494E+01 1.4503E+01 H1 3656 1.008000 0.423800 -6.3846E+00 -9.5292E+00 1.4598E+01 H2 3657 1.008000 0.423800 -6.2983E+00 -1.0965E+01 1.5371E+01 O6 3658 15.999400 -0.847600 1.1382E+01 1.6150E+01 1.2861E+01 H1 3659 1.008000 0.423800 1.1144E+01 1.5319E+01 1.3364E+01 H2 3660 1.008000 0.423800 1.1597E+01 1.5915E+01 1.1913E+01 O6 3661 15.999400 -0.847600 1.1203E+01 -1.5862E+01 1.4660E+01 H1 3662 1.008000 0.423800 1.1696E+01 -1.5610E+01 1.3827E+01 H2 3663 1.008000 0.423800 1.0869E+01 -1.5035E+01 1.5112E+01 O6 3664 15.999400 -0.847600 -2.7324E+00 8.0576E+00 -1.6060E+01 H1 3665 1.008000 0.423800 -2.4083E+00 8.8655E+00 -1.5568E+01 H2 3666 1.008000 0.423800 -3.7187E+00 8.1308E+00 -1.6208E+01 O6 3667 15.999400 -0.847600 -1.9530E+01 -9.8362E+00 1.6249E+01 H1 3668 1.008000 0.423800 1.9478E+01 -8.9587E+00 1.6721E+01 H2 3669 1.008000 0.423800 -1.8615E+01 -1.0207E+01 1.6406E+01 O6 3670 15.999400 -0.847600 1.4602E+01 7.1355E+00 7.3534E+00 H1 3671 1.008000 0.423800 1.3829E+01 7.6984E+00 7.0614E+00 H2 3672 1.008000 0.423800 1.4407E+01 6.1745E+00 7.1566E+00 O6 3673 15.999400 -0.847600 6.3352E+00 -1.8144E+01 -1.3450E+01 H1 3674 1.008000 0.423800 6.7551E+00 -1.8975E+01 -1.3087E+01 H2 3675 1.008000 0.423800 5.5958E+00 -1.8390E+01 -1.4077E+01 O6 3676 15.999400 -0.847600 1.8921E+01 1.2088E+00 4.7734E+00 H1 3677 1.008000 0.423800 1.8878E+01 1.4792E+00 3.8115E+00 H2 3678 1.008000 0.423800 -1.9222E+01 1.0763E+00 5.0405E+00 O6 3679 15.999400 -0.847600 -1.7471E+01 1.6723E+01 -1.1833E+01 H1 3680 1.008000 0.423800 -1.8350E+01 1.6572E+01 -1.2286E+01 H2 3681 1.008000 0.423800 -1.7443E+01 1.6202E+01 -1.0980E+01 O6 3682 15.999400 -0.847600 1.9209E+01 -9.1839E+00 8.4905E+00 H1 3683 1.008000 0.423800 1.9522E+01 -8.9510E+00 7.5699E+00 H2 3684 1.008000 0.423800 -1.9101E+01 -9.4144E+00 9.0623E+00 O6 3685 15.999400 -0.847600 -1.2366E+01 2.9425E+00 -4.4711E+00 H1 3686 1.008000 0.423800 -1.1749E+01 2.5501E+00 -5.1530E+00 H2 3687 1.008000 0.423800 -1.1846E+01 3.1911E+00 -3.6543E+00 O6 3688 15.999400 -0.847600 5.5765E-01 9.8772E+00 4.1825E+00 H1 3689 1.008000 0.423800 8.5018E-01 9.7228E+00 5.1263E+00 H2 3690 1.008000 0.423800 1.3612E+00 9.9410E+00 3.5908E+00 O6 3691 15.999400 -0.847600 -1.2256E+01 3.5786E+00 1.4713E+00 H1 3692 1.008000 0.423800 -1.2475E+01 4.5395E+00 1.3009E+00 H2 3693 1.008000 0.423800 -1.1343E+01 3.3770E+00 1.1182E+00 O6 3694 15.999400 -0.847600 1.9883E+00 -1.8632E+01 -1.7757E+01 H1 3695 1.008000 0.423800 1.3142E+00 -1.8005E+01 -1.8148E+01 H2 3696 1.008000 0.423800 1.8151E+00 -1.8738E+01 -1.6778E+01 O6 3697 15.999400 -0.847600 1.2986E+01 -2.7438E+00 5.9362E+00 H1 3698 1.008000 0.423800 1.3805E+01 -2.2846E+00 6.2799E+00 H2 3699 1.008000 0.423800 1.2236E+01 -2.6176E+00 6.5856E+00 O6 3700 15.999400 -0.847600 1.9125E+01 6.4378E+00 -4.2576E+00 H1 3701 1.008000 0.423800 -1.9050E+01 6.3424E+00 -4.6318E+00 H2 3702 1.008000 0.423800 1.8554E+01 5.6846E+00 -4.5833E+00 O6 3703 15.999400 -0.847600 -2.6105E+00 -1.2987E+01 1.5668E+01 H1 3704 1.008000 0.423800 -2.3429E+00 -1.2313E+01 1.4980E+01 H2 3705 1.008000 0.423800 -1.7923E+00 -1.3356E+01 1.6109E+01 O6 3706 15.999400 -0.847600 -1.3513E+01 -1.4721E+01 -1.6793E+01 H1 3707 1.008000 0.423800 -1.4101E+01 -1.5530E+01 -1.6803E+01 H2 3708 1.008000 0.423800 -1.3456E+01 -1.4363E+01 -1.5861E+01 O6 3709 15.999400 -0.847600 -1.0313E+01 1.6603E+01 4.5876E+00 H1 3710 1.008000 0.423800 -1.0713E+01 1.7394E+01 5.0497E+00 H2 3711 1.008000 0.423800 -1.0779E+01 1.6456E+01 3.7150E+00 O6 3712 15.999400 -0.847600 -1.7523E+00 -1.9280E+01 1.3498E+01 H1 3713 1.008000 0.423800 -2.6796E+00 -1.9154E+01 1.3145E+01 H2 3714 1.008000 0.423800 -1.7592E+00 1.9117E+01 1.4211E+01 O6 3715 15.999400 -0.847600 -1.1477E+01 1.9006E+01 6.0286E+00 H1 3716 1.008000 0.423800 -1.1881E+01 -1.9232E+01 6.3411E+00 H2 3717 1.008000 0.423800 -1.0986E+01 1.8574E+01 6.7849E+00 O6 3718 15.999400 -0.847600 5.8112E+00 1.8012E+01 1.1428E+01 H1 3719 1.008000 0.423800 4.8237E+00 1.8167E+01 1.1454E+01 H2 3720 1.008000 0.423800 6.0681E+00 1.7377E+01 1.2156E+01 O6 3721 15.999400 -0.847600 1.5587E+01 -1.3455E+01 -6.8247E+00 H1 3722 1.008000 0.423800 1.5576E+01 -1.3377E+01 -7.8216E+00 H2 3723 1.008000 0.423800 1.4692E+01 -1.3198E+01 -6.4602E+00 O6 3724 15.999400 -0.847600 2.5831E-01 -9.3223E+00 3.7273E+00 H1 3725 1.008000 0.423800 3.6407E-02 -9.7329E+00 2.8428E+00 H2 3726 1.008000 0.423800 1.1841E+00 -8.9455E+00 3.6969E+00 O6 3727 15.999400 -0.847600 -6.8844E+00 -1.9267E+01 -1.8138E+01 H1 3728 1.008000 0.423800 -6.0203E+00 -1.9295E+01 -1.7635E+01 H2 3729 1.008000 0.423800 -7.0720E+00 1.8930E+01 -1.8529E+01 O6 3730 15.999400 -0.847600 5.5771E+00 5.4676E-01 1.6970E+01 H1 3731 1.008000 0.423800 6.4949E+00 8.0556E-01 1.7272E+01 H2 3732 1.008000 0.423800 5.4758E+00 7.5150E-01 1.5997E+01 O6 3733 15.999400 -0.847600 -1.0624E+01 1.8636E+01 6.3023E-01 H1 3734 1.008000 0.423800 -1.1225E+01 1.9155E+01 2.2120E-02 H2 3735 1.008000 0.423800 -1.1007E+01 1.8633E+01 1.5540E+00 O6 3736 15.999400 -0.847600 1.4604E+01 4.3930E+00 6.8926E+00 H1 3737 1.008000 0.423800 1.5515E+01 3.9909E+00 6.8027E+00 H2 3738 1.008000 0.423800 1.3935E+01 3.6686E+00 7.0581E+00 O6 3739 15.999400 -0.847600 1.1674E+01 -1.3333E+01 -2.6069E+00 H1 3740 1.008000 0.423800 1.2010E+01 -1.4112E+01 -2.0779E+00 H2 3741 1.008000 0.423800 1.2410E+01 -1.2666E+01 -2.7226E+00 O6 3742 15.999400 -0.847600 4.8922E+00 -1.6037E+01 7.4454E+00 H1 3743 1.008000 0.423800 5.7036E+00 -1.6439E+01 7.8695E+00 H2 3744 1.008000 0.423800 4.9068E+00 -1.6217E+01 6.4617E+00 O6 3745 15.999400 -0.847600 -1.2810E+01 -7.4372E+00 8.5973E+00 H1 3746 1.008000 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1.6207E+01 -3.3818E+00 O6 3763 15.999400 -0.847600 -5.2793E+00 -1.5886E+01 -9.4717E+00 H1 3764 1.008000 0.423800 -5.5462E+00 -1.5242E+01 -1.0189E+01 H2 3765 1.008000 0.423800 -6.0438E+00 -1.6499E+01 -9.2729E+00 O6 3766 15.999400 -0.847600 9.2960E+00 -1.6710E+00 1.4687E+00 H1 3767 1.008000 0.423800 8.3189E+00 -1.7691E+00 1.6579E+00 H2 3768 1.008000 0.423800 9.6754E+00 -9.4524E-01 2.0425E+00 O6 3769 15.999400 -0.847600 1.1828E+00 9.5330E+00 6.7792E+00 H1 3770 1.008000 0.423800 1.7371E+00 1.0036E+01 7.4426E+00 H2 3771 1.008000 0.423800 5.5202E-01 8.9266E+00 7.2634E+00 O6 3772 15.999400 -0.847600 -1.4123E+01 1.8807E+00 1.6282E+01 H1 3773 1.008000 0.423800 -1.4788E+01 1.9585E+00 1.5539E+01 H2 3774 1.008000 0.423800 -1.3583E+01 1.0475E+00 1.6160E+01 O6 3775 15.999400 -0.847600 -1.6092E+01 1.8055E+00 -7.9347E+00 H1 3776 1.008000 0.423800 -1.5564E+01 1.7882E+00 -7.0852E+00 H2 3777 1.008000 0.423800 -1.6049E+01 2.7210E+00 -8.3347E+00 O6 3778 15.999400 -0.847600 7.9005E+00 -1.2095E+01 1.7602E+01 H1 3779 1.008000 0.423800 7.0856E+00 -1.1834E+01 1.8120E+01 H2 3780 1.008000 0.423800 7.6472E+00 -1.2281E+01 1.6653E+01 O6 3781 15.999400 -0.847600 1.1744E+00 -6.5677E+00 -8.3362E-01 H1 3782 1.008000 0.423800 6.4557E-01 -5.7416E+00 -6.3896E-01 H2 3783 1.008000 0.423800 1.3923E+00 -6.6018E+00 -1.8090E+00 O6 3784 15.999400 -0.847600 -1.4399E+01 -8.6304E+00 -3.0537E+00 H1 3785 1.008000 0.423800 -1.3750E+01 -8.7138E+00 -3.8103E+00 H2 3786 1.008000 0.423800 -1.5307E+01 -8.4205E+00 -3.4151E+00 O6 3787 15.999400 -0.847600 -1.4285E+01 1.7191E+01 -2.3511E+00 H1 3788 1.008000 0.423800 -1.3641E+01 1.6445E+01 -2.5203E+00 H2 3789 1.008000 0.423800 -1.4615E+01 1.7551E+01 -3.2238E+00 O6 3790 15.999400 -0.847600 -4.7216E+00 1.0228E+01 1.2681E+01 H1 3791 1.008000 0.423800 -4.2286E+00 1.1044E+01 1.2377E+01 H2 3792 1.008000 0.423800 -4.0732E+00 9.4807E+00 1.2824E+01 O6 3793 15.999400 -0.847600 -1.4100E+01 -3.6700E+00 1.8169E+01 H1 3794 1.008000 0.423800 -1.4788E+01 -2.9480E+00 1.8247E+01 H2 3795 1.008000 0.423800 -1.4301E+01 -4.3944E+00 1.8828E+01 O6 3796 15.999400 -0.847600 -2.6324E+00 9.6187E+00 -1.9281E+01 H1 3797 1.008000 0.423800 -2.9311E+00 9.8129E+00 1.8882E+01 H2 3798 1.008000 0.423800 -2.4885E+00 8.6349E+00 -1.9174E+01 O6 3799 15.999400 -0.847600 8.1063E+00 -1.5203E+00 1.3278E+01 H1 3800 1.008000 0.423800 8.5626E+00 -1.1190E+00 1.2484E+01 H2 3801 1.008000 0.423800 7.7554E+00 -7.9059E-01 1.3865E+01 O6 3802 15.999400 -0.847600 1.9018E+01 -1.2384E+01 -1.4014E+01 H1 3803 1.008000 0.423800 1.9143E+01 -1.1445E+01 -1.3694E+01 H2 3804 1.008000 0.423800 1.8453E+01 -1.2381E+01 -1.4840E+01 O6 3805 15.999400 -0.847600 -4.4611E+00 5.9038E-01 -4.7350E+00 H1 3806 1.008000 0.423800 -5.2444E+00 7.4678E-01 -5.3367E+00 H2 3807 1.008000 0.423800 -3.6219E+00 8.7144E-01 -5.2005E+00 O6 3808 15.999400 -0.847600 -1.5943E+01 -1.1832E+01 -1.5268E+01 H1 3809 1.008000 0.423800 -1.5060E+01 -1.1709E+01 -1.5721E+01 H2 3810 1.008000 0.423800 -1.5794E+01 -1.2112E+01 -1.4320E+01 O6 3811 15.999400 -0.847600 3.3604E+00 1.4543E+01 -1.2641E+01 H1 3812 1.008000 0.423800 3.8299E+00 1.4501E+01 -1.1759E+01 H2 3813 1.008000 0.423800 3.8025E+00 1.5226E+01 -1.3221E+01 O6 3814 15.999400 -0.847600 -1.7642E+01 -1.5394E+01 2.4912E+00 H1 3815 1.008000 0.423800 -1.7921E+01 -1.4683E+01 1.8448E+00 H2 3816 1.008000 0.423800 -1.8192E+01 -1.5321E+01 3.3236E+00 O6 3817 15.999400 -0.847600 -1.1612E+01 -1.3517E+01 5.0287E+00 H1 3818 1.008000 0.423800 -1.1280E+01 -1.2922E+01 4.2963E+00 H2 3819 1.008000 0.423800 -1.2433E+01 -1.3998E+01 4.7211E+00 O6 3820 15.999400 -0.847600 -1.3882E+01 -5.7126E+00 1.0647E+01 H1 3821 1.008000 0.423800 -1.3773E+01 -6.3464E+00 9.8815E+00 H2 3822 1.008000 0.423800 -1.4347E+01 -6.1772E+00 1.1401E+01 O6 3823 15.999400 -0.847600 1.2804E+01 -2.8445E+00 1.8625E+01 H1 3824 1.008000 0.423800 1.3753E+01 -2.6228E+00 1.8849E+01 H2 3825 1.008000 0.423800 1.2755E+01 -3.7764E+00 1.8265E+01 O6 3826 15.999400 -0.847600 3.4275E+00 -1.6520E+01 9.7728E+00 H1 3827 1.008000 0.423800 4.2132E+00 -1.6335E+01 1.0363E+01 H2 3828 1.008000 0.423800 3.5847E+00 -1.6115E+01 8.8721E+00 O6 3829 15.999400 -0.847600 1.6524E+00 -3.8969E-01 1.0337E+01 H1 3830 1.008000 0.423800 2.1944E+00 -1.1971E+00 1.0570E+01 H2 3831 1.008000 0.423800 1.2609E+00 8.9426E-04 1.1170E+01 O6 3832 15.999400 -0.847600 -1.0723E+01 4.0701E-01 7.9059E+00 H1 3833 1.008000 0.423800 -1.1255E+01 1.0361E+00 8.4724E+00 H2 3834 1.008000 0.423800 -1.1344E+01 -1.8872E-01 7.3961E+00 O6 3835 15.999400 -0.847600 7.4498E-01 8.3668E+00 -6.8060E+00 H1 3836 1.008000 0.423800 1.3818E+00 8.3822E+00 -7.5769E+00 H2 3837 1.008000 0.423800 -2.9134E-02 8.9690E+00 -7.0012E+00 O6 3838 15.999400 -0.847600 -9.6910E+00 1.8037E+01 -1.3968E+01 H1 3839 1.008000 0.423800 -8.9968E+00 1.7366E+01 -1.4229E+01 H2 3840 1.008000 0.423800 -1.0355E+01 1.8135E+01 -1.4709E+01 O6 3841 15.999400 -0.847600 -8.1292E+00 8.6554E+00 1.0542E+01 H1 3842 1.008000 0.423800 -8.5006E+00 7.7270E+00 1.0535E+01 H2 3843 1.008000 0.423800 -8.7087E+00 9.2417E+00 1.1108E+01 O6 3844 15.999400 -0.847600 1.7055E+00 1.0599E+01 -1.7894E+01 H1 3845 1.008000 0.423800 1.6503E+00 9.7493E+00 -1.8419E+01 H2 3846 1.008000 0.423800 2.2938E+00 1.0461E+01 -1.7097E+01 O6 3847 15.999400 -0.847600 1.2744E+01 -1.5073E+01 -7.5141E-01 H1 3848 1.008000 0.423800 1.3699E+01 -1.5361E+01 -6.8251E-01 H2 3849 1.008000 0.423800 1.2361E+01 -1.4965E+01 1.6618E-01 O6 3850 15.999400 -0.847600 5.8860E+00 1.1260E+01 -1.7406E+01 H1 3851 1.008000 0.423800 5.5160E+00 1.1915E+01 -1.6746E+01 H2 3852 1.008000 0.423800 6.3102E+00 1.0498E+01 -1.6917E+01 O6 3853 15.999400 -0.847600 -9.5464E+00 -1.1375E+01 1.4128E+01 H1 3854 1.008000 0.423800 -8.6325E+00 -1.1666E+01 1.3845E+01 H2 3855 1.008000 0.423800 -9.9925E+00 -1.0896E+01 1.3372E+01 O6 3856 15.999400 -0.847600 -6.4285E+00 -2.3948E+00 8.7149E-01 H1 3857 1.008000 0.423800 -6.1737E+00 -2.9747E+00 9.7645E-02 H2 3858 1.008000 0.423800 -6.5159E+00 -2.9564E+00 1.6943E+00 O6 3859 15.999400 -0.847600 -2.2980E+00 2.6978E+00 1.4179E+01 H1 3860 1.008000 0.423800 -2.0625E+00 1.7712E+00 1.4472E+01 H2 3861 1.008000 0.423800 -3.2129E+00 2.9295E+00 1.4509E+01 O6 3862 15.999400 -0.847600 1.2439E+01 -1.8325E+01 -1.5241E+01 H1 3863 1.008000 0.423800 1.3061E+01 -1.8020E+01 -1.4521E+01 H2 3864 1.008000 0.423800 1.2939E+01 -1.8402E+01 -1.6104E+01 O6 3865 15.999400 -0.847600 -5.9740E+00 -9.5292E+00 -1.3414E+01 H1 3866 1.008000 0.423800 -5.5117E+00 -9.6689E+00 -1.2538E+01 H2 3867 1.008000 0.423800 -5.3020E+00 -9.5574E+00 -1.4153E+01 O6 3868 15.999400 -0.847600 1.5534E+01 -1.9030E+01 -9.4654E+00 H1 3869 1.008000 0.423800 1.5205E+01 -1.8259E+01 -8.9200E+00 H2 3870 1.008000 0.423800 1.4872E+01 1.9320E+01 -9.4190E+00 O6 3871 15.999400 -0.847600 1.8505E+01 -7.2196E+00 4.9069E-01 H1 3872 1.008000 0.423800 1.8636E+01 -7.2319E+00 -5.0061E-01 H2 3873 1.008000 0.423800 1.7699E+01 -7.7625E+00 7.2703E-01 O6 3874 15.999400 -0.847600 1.2660E+01 -9.6422E+00 -9.9567E+00 H1 3875 1.008000 0.423800 1.2701E+01 -8.6870E+00 -1.0250E+01 H2 3876 1.008000 0.423800 1.2436E+01 -1.0222E+01 -1.0740E+01 O6 3877 15.999400 -0.847600 3.1113E+00 8.8883E+00 2.9677E+00 H1 3878 1.008000 0.423800 2.7980E+00 9.0666E+00 2.0350E+00 H2 3879 1.008000 0.423800 3.9635E+00 8.3658E+00 2.9389E+00 O6 3880 15.999400 -0.847600 -1.1123E+01 6.9465E+00 -1.1525E+01 H1 3881 1.008000 0.423800 -1.0185E+01 6.6605E+00 -1.1329E+01 H2 3882 1.008000 0.423800 -1.1124E+01 7.8988E+00 -1.1830E+01 O6 3883 15.999400 -0.847600 -2.2484E+00 1.1844E+01 6.4089E-01 H1 3884 1.008000 0.423800 -2.2006E+00 1.1761E+01 1.6364E+00 H2 3885 1.008000 0.423800 -3.0900E+00 1.1416E+01 3.1122E-01 O6 3886 15.999400 -0.847600 1.2585E+01 1.8236E+01 -1.4087E+01 H1 3887 1.008000 0.423800 1.2768E+01 1.7651E+01 -1.4877E+01 H2 3888 1.008000 0.423800 1.2469E+01 1.9181E+01 -1.4391E+01 O6 3889 15.999400 -0.847600 -1.0207E+01 1.8040E+01 -9.3140E+00 H1 3890 1.008000 0.423800 -1.0079E+01 1.8355E+01 -8.3734E+00 H2 3891 1.008000 0.423800 -9.8082E+00 1.7129E+01 -9.4179E+00 O6 3892 15.999400 -0.847600 1.5711E+01 -1.0686E+01 1.4141E+01 H1 3893 1.008000 0.423800 1.5768E+01 -9.6876E+00 1.4147E+01 H2 3894 1.008000 0.423800 1.6464E+01 -1.1067E+01 1.4677E+01 O6 3895 15.999400 -0.847600 1.6177E+01 5.5438E+00 -1.2886E+01 H1 3896 1.008000 0.423800 1.6301E+01 5.8315E+00 -1.1936E+01 H2 3897 1.008000 0.423800 1.5208E+01 5.3634E+00 -1.3056E+01 O6 3898 15.999400 -0.847600 1.2931E+01 1.0578E+00 -8.7761E+00 H1 3899 1.008000 0.423800 1.3067E+01 6.2758E-01 -9.6685E+00 H2 3900 1.008000 0.423800 1.3564E+01 6.5765E-01 -8.1134E+00 O6 3901 15.999400 -0.847600 8.5220E+00 -8.3554E+00 -2.0198E+00 H1 3902 1.008000 0.423800 9.1373E+00 -9.0058E+00 -1.5744E+00 H2 3903 1.008000 0.423800 8.8641E+00 -8.1469E+00 -2.9361E+00 O6 3904 15.999400 -0.847600 -7.1786E+00 4.0028E+00 1.4668E+01 H1 3905 1.008000 0.423800 -7.6734E+00 4.5644E+00 1.5331E+01 H2 3906 1.008000 0.423800 -7.3055E+00 4.3808E+00 1.3751E+01 O6 3907 15.999400 -0.847600 1.3258E+01 1.3569E+01 1.3060E+00 H1 3908 1.008000 0.423800 1.2844E+01 1.4343E+01 8.2583E-01 H2 3909 1.008000 0.423800 1.4230E+01 1.3752E+01 1.4559E+00 O6 3910 15.999400 -0.847600 6.4118E+00 -2.8537E+00 -5.9691E-01 H1 3911 1.008000 0.423800 5.6559E+00 -3.5082E+00 -6.1067E-01 H2 3912 1.008000 0.423800 6.5002E+00 -2.4658E+00 3.2056E-01 O6 3913 15.999400 -0.847600 -8.6446E+00 -1.5083E+01 -1.2167E+01 H1 3914 1.008000 0.423800 -9.3671E+00 -1.5049E+01 -1.2858E+01 H2 3915 1.008000 0.423800 -8.8090E+00 -1.5852E+01 -1.1550E+01 O6 3916 15.999400 -0.847600 5.8859E+00 3.6367E+00 3.2677E+00 H1 3917 1.008000 0.423800 5.4612E+00 3.5717E+00 2.3647E+00 H2 3918 1.008000 0.423800 5.5293E+00 4.4389E+00 3.7467E+00 O6 3919 15.999400 -0.847600 -1.0416E+01 -8.9457E+00 -1.4131E+01 H1 3920 1.008000 0.423800 -1.0551E+01 -9.9086E+00 -1.3898E+01 H2 3921 1.008000 0.423800 -1.0164E+01 -8.8689E+00 -1.5096E+01 O6 3922 15.999400 -0.847600 -1.9269E+01 -5.1875E-01 7.7807E-01 H1 3923 1.008000 0.423800 -1.9280E+01 -1.3810E+00 1.2846E+00 H2 3924 1.008000 0.423800 1.9333E+01 -6.3234E-01 -8.3320E-02 O6 3925 15.999400 -0.847600 -4.7250E+00 -1.1845E+01 1.2514E+01 H1 3926 1.008000 0.423800 -5.2429E+00 -1.1451E+01 1.3273E+01 H2 3927 1.008000 0.423800 -4.9179E+00 -1.1332E+01 1.1678E+01 O6 3928 15.999400 -0.847600 1.7821E+01 1.1038E+01 -1.2689E+01 H1 3929 1.008000 0.423800 1.7451E+01 1.1901E+01 -1.2345E+01 H2 3930 1.008000 0.423800 1.8048E+01 1.0442E+01 -1.1919E+01 O6 3931 15.999400 -0.847600 2.6027E+00 7.4025E+00 -2.9832E+00 H1 3932 1.008000 0.423800 1.7720E+00 7.7495E+00 -2.5478E+00 H2 3933 1.008000 0.423800 2.3910E+00 6.5631E+00 -3.4836E+00 O6 3934 15.999400 -0.847600 -1.8822E+01 6.0137E+00 1.7190E+00 H1 3935 1.008000 0.423800 1.9283E+01 6.0389E+00 1.8415E+00 H2 3936 1.008000 0.423800 -1.8385E+01 6.5743E+00 2.4223E+00 O6 3937 15.999400 -0.847600 -7.2335E+00 6.1595E+00 1.7981E+01 H1 3938 1.008000 0.423800 -6.9310E+00 5.2796E+00 1.8347E+01 H2 3939 1.008000 0.423800 -6.6493E+00 6.8880E+00 1.8339E+01 O6 3940 15.999400 -0.847600 -1.5109E+01 -6.5321E+00 -5.6980E+00 H1 3941 1.008000 0.423800 -1.5480E+01 -6.8391E+00 -6.5744E+00 H2 3942 1.008000 0.423800 -1.5347E+01 -7.1922E+00 -4.9856E+00 O6 3943 15.999400 -0.847600 -1.3988E+01 -1.5513E+01 5.5738E+00 H1 3944 1.008000 0.423800 -1.3879E+01 -1.6490E+01 5.3874E+00 H2 3945 1.008000 0.423800 -1.3607E+01 -1.5302E+01 6.4741E+00 O6 3946 15.999400 -0.847600 1.7692E+01 9.9232E+00 5.3778E+00 H1 3947 1.008000 0.423800 1.8472E+01 9.7071E+00 5.9645E+00 H2 3948 1.008000 0.423800 1.7262E+01 1.0769E+01 5.6931E+00 O6 3949 15.999400 -0.847600 6.0882E+00 1.4017E+01 8.4908E+00 H1 3950 1.008000 0.423800 6.7573E+00 1.4369E+01 7.8361E+00 H2 3951 1.008000 0.423800 5.3480E+00 1.4681E+01 8.5999E+00 O6 3952 15.999400 -0.847600 -1.3069E+01 -1.1236E+01 -1.6653E+00 H1 3953 1.008000 0.423800 -1.3330E+01 -1.0317E+01 -1.3704E+00 H2 3954 1.008000 0.423800 -1.3857E+01 -1.1848E+01 -1.5853E+00 O6 3955 15.999400 -0.847600 1.8914E+01 -1.6552E+01 5.3657E+00 H1 3956 1.008000 0.423800 1.8739E+01 -1.6518E+01 6.3497E+00 H2 3957 1.008000 0.423800 -1.9542E+01 -1.5826E+01 5.1160E+00 O6 3958 15.999400 -0.847600 1.7768E+01 9.1624E+00 8.7707E+00 H1 3959 1.008000 0.423800 1.6867E+01 8.8356E+00 9.0589E+00 H2 3960 1.008000 0.423800 1.7694E+01 1.0109E+01 8.4564E+00 O6 3961 15.999400 -0.847600 8.2121E+00 -1.5034E+01 -1.0597E+01 H1 3962 1.008000 0.423800 8.7885E+00 -1.5727E+01 -1.0163E+01 H2 3963 1.008000 0.423800 8.6899E+00 -1.4650E+01 -1.1387E+01 O6 3964 15.999400 -0.847600 -5.2928E+00 9.1900E+00 -1.3802E+01 H1 3965 1.008000 0.423800 -4.4429E+00 9.6750E+00 -1.4009E+01 H2 3966 1.008000 0.423800 -5.2969E+00 8.3090E+00 -1.4275E+01 O6 3967 15.999400 -0.847600 1.6225E+01 1.7535E+01 -1.7320E+01 H1 3968 1.008000 0.423800 1.6417E+01 1.7211E+01 -1.6393E+01 H2 3969 1.008000 0.423800 1.7086E+01 1.7725E+01 -1.7792E+01 O6 3970 15.999400 -0.847600 -2.9994E+00 -6.5401E+00 -1.1972E+01 H1 3971 1.008000 0.423800 -2.3960E+00 -6.3707E+00 -1.1193E+01 H2 3972 1.008000 0.423800 -3.1092E+00 -7.5257E+00 -1.2100E+01 O6 3973 15.999400 -0.847600 1.0525E+01 1.8651E+01 -1.2032E+01 H1 3974 1.008000 0.423800 1.0779E+01 1.8493E+01 -1.2986E+01 H2 3975 1.008000 0.423800 1.0487E+01 -1.9463E+01 -1.1856E+01 O6 3976 15.999400 -0.847600 -4.6722E+00 1.2767E+01 -1.0800E+01 H1 3977 1.008000 0.423800 -5.1702E+00 1.2024E+01 -1.1249E+01 H2 3978 1.008000 0.423800 -4.9671E+00 1.3643E+01 -1.1181E+01 O6 3979 15.999400 -0.847600 4.6728E+00 -1.8256E+01 1.3726E+01 H1 3980 1.008000 0.423800 3.9181E+00 -1.7812E+01 1.4208E+01 H2 3981 1.008000 0.423800 5.1317E+00 -1.8896E+01 1.4342E+01 O6 3982 15.999400 -0.847600 2.9810E-01 4.6511E+00 -3.7225E+00 H1 3983 1.008000 0.423800 1.0931E+00 4.8142E+00 -4.3068E+00 H2 3984 1.008000 0.423800 -4.3350E-01 5.2862E+00 -3.9702E+00 O6 3985 15.999400 -0.847600 9.9223E+00 -1.1739E+01 -1.0348E+01 H1 3986 1.008000 0.423800 9.3933E+00 -1.2383E+01 -1.0900E+01 H2 3987 1.008000 0.423800 9.8963E+00 -1.2023E+01 -9.3892E+00 O6 3988 15.999400 -0.847600 -9.7587E+00 6.3870E+00 -1.0824E+00 H1 3989 1.008000 0.423800 -1.0047E+01 6.3152E+00 -2.0372E+00 H2 3990 1.008000 0.423800 -9.0001E+00 5.7573E+00 -9.1539E-01 O6 3991 15.999400 -0.847600 -1.2129E+01 -1.4660E+01 -1.1270E+01 H1 3992 1.008000 0.423800 -1.2962E+01 -1.4164E+01 -1.1024E+01 H2 3993 1.008000 0.423800 -1.1342E+01 -1.4046E+01 -1.1199E+01 O6 3994 15.999400 -0.847600 1.2005E+01 1.7734E+00 -1.7682E+00 H1 3995 1.008000 0.423800 1.2202E+01 8.5036E-01 -1.4375E+00 H2 3996 1.008000 0.423800 1.1028E+01 1.9609E+00 -1.6710E+00 O6 3997 15.999400 -0.847600 1.3401E+01 2.5225E+00 2.1514E+00 H1 3998 1.008000 0.423800 1.3231E+01 2.8358E+00 3.0858E+00 H2 3999 1.008000 0.423800 1.4362E+01 2.6750E+00 1.9187E+00 O6 4000 15.999400 -0.847600 1.0820E+01 1.2345E+00 1.2666E+01 H1 4001 1.008000 0.423800 9.8716E+00 1.3363E+00 1.2366E+01 H2 4002 1.008000 0.423800 1.1366E+01 1.9914E+00 1.2308E+01 O6 4003 15.999400 -0.847600 7.1326E+00 -2.9893E+00 -1.9072E+01 H1 4004 1.008000 0.423800 6.9527E+00 -2.0153E+00 -1.8933E+01 H2 4005 1.008000 0.423800 7.0059E+00 -3.4773E+00 -1.8208E+01 O6 4006 15.999400 -0.847600 -6.6300E+00 1.8225E+01 1.4869E+00 H1 4007 1.008000 0.423800 -6.9481E+00 1.9157E+01 1.6594E+00 H2 4008 1.008000 0.423800 -6.4346E+00 1.7773E+01 2.3574E+00 O6 4009 15.999400 -0.847600 -6.1997E+00 -7.7247E+00 1.4518E+01 H1 4010 1.008000 0.423800 -6.7725E+00 -6.9063E+00 1.4470E+01 H2 4011 1.008000 0.423800 -5.2373E+00 -7.4561E+00 1.4556E+01 O6 4012 15.999400 -0.847600 1.7520E+01 -2.4416E+00 -1.5012E+01 H1 4013 1.008000 0.423800 1.8253E+01 -2.3647E+00 -1.5689E+01 H2 4014 1.008000 0.423800 1.7403E+01 -3.4009E+00 -1.4755E+01 O6 4015 15.999400 -0.847600 -8.8553E+00 -1.7339E+01 7.1290E+00 H1 4016 1.008000 0.423800 -8.6054E+00 -1.8228E+01 6.7472E+00 H2 4017 1.008000 0.423800 -8.4561E+00 -1.6612E+01 6.5697E+00 O6 4018 15.999400 -0.847600 9.6634E+00 2.9704E+00 -1.0437E+01 H1 4019 1.008000 0.423800 1.0310E+01 2.9667E+00 -9.6743E+00 H2 4020 1.008000 0.423800 9.7537E+00 3.8261E+00 -1.0946E+01 O6 4021 15.999400 -0.847600 1.6160E+01 -1.3773E+01 -9.4137E+00 H1 4022 1.008000 0.423800 1.7100E+01 -1.3535E+01 -9.1663E+00 H2 4023 1.008000 0.423800 1.6113E+01 -1.3970E+01 -1.0393E+01 O6 4024 15.999400 -0.847600 1.5161E+01 -1.5976E+01 -5.2950E-01 H1 4025 1.008000 0.423800 1.4863E+01 -1.6930E+01 -4.7775E-01 H2 4026 1.008000 0.423800 1.6130E+01 -1.5942E+01 -7.7434E-01 O6 4027 15.999400 -0.847600 1.9303E+01 -1.3978E+01 1.7703E+01 H1 4028 1.008000 0.423800 -1.8893E+01 -1.3834E+01 1.7295E+01 H2 4029 1.008000 0.423800 1.8811E+01 -1.3108E+01 1.7740E+01 O6 4030 15.999400 -0.847600 -1.9347E+01 -1.2573E+01 -1.0738E+01 H1 4031 1.008000 0.423800 -1.8640E+01 -1.1882E+01 -1.0882E+01 H2 4032 1.008000 0.423800 1.9044E+01 -1.2207E+01 -1.0132E+01 O6 4033 15.999400 -0.847600 -1.7216E+01 -1.8898E+00 -5.4951E+00 H1 4034 1.008000 0.423800 -1.6285E+01 -2.1381E+00 -5.7607E+00 H2 4035 1.008000 0.423800 -1.7318E+01 -8.9548E-01 -5.5258E+00 O6 4036 15.999400 -0.847600 1.8642E+01 -4.7434E+00 -2.0463E+00 H1 4037 1.008000 0.423800 1.8464E+01 -4.1583E+00 -1.2551E+00 H2 4038 1.008000 0.423800 1.8520E+01 -4.2145E+00 -2.8861E+00 O6 4039 15.999400 -0.847600 -4.4431E+00 -8.8532E+00 5.7122E+00 H1 4040 1.008000 0.423800 -4.2911E+00 -9.5290E+00 6.4335E+00 H2 4041 1.008000 0.423800 -3.5757E+00 -8.6492E+00 5.2584E+00 O6 4042 15.999400 -0.847600 5.0026E+00 -5.4177E+00 -3.3265E+00 H1 4043 1.008000 0.423800 4.9080E+00 -5.4579E+00 -2.3318E+00 H2 4044 1.008000 0.423800 4.2606E+00 -4.8677E+00 -3.7098E+00 O6 4045 15.999400 -0.847600 -1.4082E+01 7.2886E+00 -1.5069E+01 H1 4046 1.008000 0.423800 -1.3327E+01 7.7361E+00 -1.4589E+01 H2 4047 1.008000 0.423800 -1.4804E+01 7.9566E+00 -1.5251E+01 O6 4048 15.999400 -0.847600 1.5289E+01 1.5448E+01 -1.4070E+01 H1 4049 1.008000 0.423800 1.5304E+01 1.4472E+01 -1.3855E+01 H2 4050 1.008000 0.423800 1.6098E+01 1.5684E+01 -1.4608E+01 O6 4051 15.999400 -0.847600 1.6733E+01 -4.4179E+00 -1.8858E+01 H1 4052 1.008000 0.423800 1.7634E+01 -4.0277E+00 -1.8667E+01 H2 4053 1.008000 0.423800 1.6231E+01 -3.8110E+00 -1.9473E+01 O6 4054 15.999400 -0.847600 5.3889E+00 1.1225E+01 8.5570E+00 H1 4055 1.008000 0.423800 5.8918E+00 1.0659E+01 7.9037E+00 H2 4056 1.008000 0.423800 5.6880E+00 1.2176E+01 8.4740E+00 O6 4057 15.999400 -0.847600 -1.3580E+01 3.7993E-01 -1.3331E+01 H1 4058 1.008000 0.423800 -1.4243E+01 1.1249E+00 -1.3260E+01 H2 4059 1.008000 0.423800 -1.2754E+01 6.1955E-01 -1.2821E+01 O6 4060 15.999400 -0.847600 1.9149E+01 1.7920E+01 1.4760E+01 H1 4061 1.008000 0.423800 -1.9222E+01 1.8374E+01 1.4245E+01 H2 4062 1.008000 0.423800 1.8264E+01 1.8136E+01 1.4347E+01 O6 4063 15.999400 -0.847600 -2.3060E+00 1.4665E+01 -4.3434E+00 H1 4064 1.008000 0.423800 -2.2295E+00 1.5460E+01 -4.9448E+00 H2 4065 1.008000 0.423800 -1.6643E+00 1.4760E+01 -3.5823E+00 O6 4066 15.999400 -0.847600 1.6458E+01 7.9189E+00 3.9707E+00 H1 4067 1.008000 0.423800 1.6606E+01 8.4797E+00 4.7855E+00 H2 4068 1.008000 0.423800 1.5801E+01 8.3722E+00 3.3687E+00 O6 4069 15.999400 -0.847600 -1.2967E+01 1.4309E+01 -1.9090E+01 H1 4070 1.008000 0.423800 -1.2398E+01 1.4332E+01 -1.8268E+01 H2 4071 1.008000 0.423800 -1.3863E+01 1.4703E+01 -1.8885E+01 O6 4072 15.999400 -0.847600 4.5220E-01 -1.6863E+01 -1.4499E+01 H1 4073 1.008000 0.423800 -1.8381E-01 -1.6910E+01 -1.5269E+01 H2 4074 1.008000 0.423800 5.5834E-01 -1.5910E+01 -1.4213E+01 O6 4075 15.999400 -0.847600 -1.1310E+01 1.9626E+00 -1.2373E+01 H1 4076 1.008000 0.423800 -1.1849E+01 2.6228E+00 -1.2896E+01 H2 4077 1.008000 0.423800 -1.0415E+01 1.8469E+00 -1.2803E+01 O6 4078 15.999400 -0.847600 1.7132E+00 -3.6454E+00 1.2729E+01 H1 4079 1.008000 0.423800 1.2110E+00 -3.6208E+00 1.3594E+01 H2 4080 1.008000 0.423800 2.3039E+00 -4.4520E+00 1.2710E+01 O6 4081 15.999400 -0.847600 -3.6624E+00 1.6242E+01 1.6161E+01 H1 4082 1.008000 0.423800 -4.1656E+00 1.5545E+01 1.5650E+01 H2 4083 1.008000 0.423800 -3.8478E+00 1.6137E+01 1.7138E+01 O6 4084 15.999400 -0.847600 1.6365E+01 5.2737E+00 5.2797E-01 H1 4085 1.008000 0.423800 1.5519E+01 5.7863E+00 6.7961E-01 H2 4086 1.008000 0.423800 1.6929E+01 5.7535E+00 -1.4332E-01 O6 4087 15.999400 -0.847600 -1.8345E+01 1.2326E+01 7.4537E+00 H1 4088 1.008000 0.423800 -1.8934E+01 1.2736E+01 8.1498E+00 H2 4089 1.008000 0.423800 -1.8574E+01 1.1358E+01 7.3520E+00 O6 4090 15.999400 -0.847600 -1.5302E+01 -6.7673E+00 5.8906E-01 H1 4091 1.008000 0.423800 -1.6015E+01 -7.4547E+00 4.4777E-01 H2 4092 1.008000 0.423800 -1.5701E+01 -5.8535E+00 5.1413E-01 O6 4093 15.999400 -0.847600 -9.9427E+00 -9.9333E+00 1.6671E+01 H1 4094 1.008000 0.423800 -9.8287E+00 -1.0293E+01 1.5745E+01 H2 4095 1.008000 0.423800 -9.7771E+00 -1.0663E+01 1.7335E+01 O6 4096 15.999400 -0.847600 -6.3942E+00 1.2793E+00 1.8678E+01 H1 4097 1.008000 0.423800 -5.8537E+00 5.5217E-01 1.8255E+01 H2 4098 1.008000 0.423800 -7.2964E+00 1.3170E+00 1.8248E+01 O6 4099 15.999400 -0.847600 1.6146E+01 2.7862E+00 1.2784E+00 H1 4100 1.008000 0.423800 1.6309E+01 3.7154E+00 9.4652E-01 H2 4101 1.008000 0.423800 1.5744E+01 2.2364E+00 5.4612E-01 O6 4102 15.999400 -0.847600 1.2850E+00 -1.6050E+01 1.3713E+01 H1 4103 1.008000 0.423800 9.1207E-01 -1.6658E+01 1.3012E+01 H2 4104 1.008000 0.423800 1.5410E+00 -1.5178E+01 1.3296E+01 O6 4105 15.999400 -0.847600 1.4360E+01 -3.1815E+00 3.4415E+00 H1 4106 1.008000 0.423800 1.3817E+01 -3.3620E+00 4.2621E+00 H2 4107 1.008000 0.423800 1.4322E+01 -2.2060E+00 3.2251E+00 O6 4108 15.999400 -0.847600 -1.5215E+01 1.7358E+00 1.3493E+01 H1 4109 1.008000 0.423800 -1.5919E+01 2.1914E+00 1.2947E+01 H2 4110 1.008000 0.423800 -1.5357E+01 7.4648E-01 1.3461E+01 O6 4111 15.999400 -0.847600 1.8925E+01 -8.2930E+00 1.3506E+01 H1 4112 1.008000 0.423800 1.8620E+01 -8.8128E+00 1.4304E+01 H2 4113 1.008000 0.423800 1.9078E+01 -8.9174E+00 1.2740E+01 O6 4114 15.999400 -0.847600 -3.5831E+00 -3.6955E-01 -1.4050E+01 H1 4115 1.008000 0.423800 -2.8268E+00 1.8734E-01 -1.3706E+01 H2 4116 1.008000 0.423800 -3.6460E+00 -1.2123E+00 -1.3515E+01 O6 4117 15.999400 -0.847600 -6.4916E+00 9.2490E+00 6.2408E+00 H1 4118 1.008000 0.423800 -6.1974E+00 8.3474E+00 6.5580E+00 H2 4119 1.008000 0.423800 -6.8616E+00 9.7688E+00 7.0109E+00 O6 4120 15.999400 -0.847600 7.7237E+00 1.1230E+01 -1.2187E+01 H1 4121 1.008000 0.423800 8.0170E+00 1.2147E+01 -1.1916E+01 H2 4122 1.008000 0.423800 8.5141E+00 1.0617E+01 -1.2200E+01 O6 4123 15.999400 -0.847600 -1.0310E+00 -1.5882E+00 1.4133E+01 H1 4124 1.008000 0.423800 -4.7402E-01 -2.2485E+00 1.4637E+01 H2 4125 1.008000 0.423800 -1.8331E+00 -2.0494E+00 1.3754E+01 O6 4126 15.999400 -0.847600 1.6205E+01 4.7552E+00 1.0334E+01 H1 4127 1.008000 0.423800 1.6980E+01 4.9277E+00 9.7256E+00 H2 4128 1.008000 0.423800 1.6062E+01 5.5494E+00 1.0925E+01 O6 4129 15.999400 -0.847600 -2.3536E+00 1.5543E+01 8.2954E+00 H1 4130 1.008000 0.423800 -2.5626E+00 1.4567E+01 8.3572E+00 H2 4131 1.008000 0.423800 -3.0803E+00 1.6008E+01 7.7900E+00 O6 4132 15.999400 -0.847600 1.3274E+01 1.3930E+01 -1.1110E+01 H1 4133 1.008000 0.423800 1.2416E+01 1.4398E+01 -1.0900E+01 H2 4134 1.008000 0.423800 1.3339E+01 1.3093E+01 -1.0568E+01 O6 4135 15.999400 -0.847600 -7.2052E-01 -1.4818E+01 -3.7480E+00 H1 4136 1.008000 0.423800 5.6106E-02 -1.4972E+01 -3.1372E+00 H2 4137 1.008000 0.423800 -1.3444E+00 -1.5598E+01 -3.6975E+00 O6 4138 15.999400 -0.847600 1.7671E+01 1.2473E+01 1.4034E+01 H1 4139 1.008000 0.423800 1.8572E+01 1.2393E+01 1.3607E+01 H2 4140 1.008000 0.423800 1.7386E+01 1.1579E+01 1.4380E+01 O6 4141 15.999400 -0.847600 2.2827E+00 7.8250E+00 -1.4734E+01 H1 4142 1.008000 0.423800 1.9569E+00 7.1404E+00 -1.5386E+01 H2 4143 1.008000 0.423800 1.7521E+00 7.7595E+00 -1.3889E+01 O6 4144 15.999400 -0.847600 -1.2244E+01 -1.1323E+01 1.0202E+01 H1 4145 1.008000 0.423800 -1.2471E+01 -1.2144E+01 1.0724E+01 H2 4146 1.008000 0.423800 -1.2892E+01 -1.0595E+01 1.0426E+01 O6 4147 15.999400 -0.847600 -1.0242E+00 1.1519E+01 -1.7821E+01 H1 4148 1.008000 0.423800 -5.1290E-02 1.1354E+01 -1.7660E+01 H2 4149 1.008000 0.423800 -1.4563E+00 1.0677E+01 -1.8144E+01 O6 4150 15.999400 -0.847600 -1.7778E+01 -9.6697E+00 1.0723E+01 H1 4151 1.008000 0.423800 -1.7371E+01 -9.4506E+00 1.1610E+01 H2 4152 1.008000 0.423800 -1.7100E+01 -9.5305E+00 1.0001E+01 O6 4153 15.999400 -0.847600 2.0389E+00 4.8210E+00 1.7225E+00 H1 4154 1.008000 0.423800 1.8495E+00 4.2448E+00 2.5176E+00 H2 4155 1.008000 0.423800 1.8509E+00 5.7762E+00 1.9508E+00 O6 4156 15.999400 -0.847600 1.5576E+01 1.0096E+00 -8.4895E-01 H1 4157 1.008000 0.423800 1.6562E+01 9.7550E-01 -1.0134E+00 H2 4158 1.008000 0.423800 1.5114E+01 3.6915E-01 -1.4621E+00 O6 4159 15.999400 -0.847600 1.3552E+01 -1.8182E+01 -1.2389E+01 H1 4160 1.008000 0.423800 1.3797E+01 -1.9080E+01 -1.2023E+01 H2 4161 1.008000 0.423800 1.2743E+01 -1.7838E+01 -1.1913E+01 O6 4162 15.999400 -0.847600 -1.8711E+01 -3.5856E+00 -1.3149E+01 H1 4163 1.008000 0.423800 -1.8790E+01 -4.5229E+00 -1.2809E+01 H2 4164 1.008000 0.423800 -1.8491E+01 -3.6017E+00 -1.4124E+01 O6 4165 15.999400 -0.847600 7.8548E+00 6.5084E+00 1.6926E+00 H1 4166 1.008000 0.423800 7.7492E+00 6.8567E+00 7.6122E-01 H2 4167 1.008000 0.423800 7.9222E+00 5.5109E+00 1.6697E+00 O6 4168 15.999400 -0.847600 1.3675E+01 1.1288E+00 1.6515E+01 H1 4169 1.008000 0.423800 1.3113E+01 1.5607E+00 1.7221E+01 H2 4170 1.008000 0.423800 1.4642E+01 1.2660E+00 1.6728E+01 O6 4171 15.999400 -0.847600 1.4039E+01 1.7819E+01 -9.3640E+00 H1 4172 1.008000 0.423800 1.4323E+01 1.7688E+01 -1.0314E+01 H2 4173 1.008000 0.423800 1.3054E+01 1.7666E+01 -9.2864E+00 O6 4174 15.999400 -0.847600 4.3077E+00 4.4253E+00 -1.3478E+01 H1 4175 1.008000 0.423800 5.0864E+00 3.9846E+00 -1.3924E+01 H2 4176 1.008000 0.423800 3.4601E+00 4.1315E+00 -1.3919E+01 O6 4177 15.999400 -0.847600 2.1010E+00 -1.6839E+01 -3.8844E+00 H1 4178 1.008000 0.423800 1.7780E+00 -1.6461E+01 -3.0167E+00 H2 4179 1.008000 0.423800 3.0223E+00 -1.6499E+01 -4.0735E+00 O6 4180 15.999400 -0.847600 -5.1604E+00 -4.4747E+00 1.7434E+01 H1 4181 1.008000 0.423800 -6.0609E+00 -4.0481E+00 1.7519E+01 H2 4182 1.008000 0.423800 -4.4716E+00 -3.8857E+00 1.7857E+01 O6 4183 15.999400 -0.847600 -1.8502E+01 -1.9206E+01 -1.2734E+01 H1 4184 1.008000 0.423800 -1.7562E+01 -1.9471E+01 -1.2519E+01 H2 4185 1.008000 0.423800 -1.8495E+01 -1.8375E+01 -1.3291E+01 O6 4186 15.999400 -0.847600 1.6735E+01 1.4923E+01 1.2601E+01 H1 4187 1.008000 0.423800 1.6172E+01 1.5236E+01 1.3365E+01 H2 4188 1.008000 0.423800 1.7159E+01 1.4048E+01 1.2835E+01 O6 4189 15.999400 -0.847600 1.7674E+01 1.8604E+01 -5.6983E+00 H1 4190 1.008000 0.423800 1.7831E+01 1.7688E+01 -5.3298E+00 H2 4191 1.008000 0.423800 1.8001E+01 1.9286E+01 -5.0444E+00 O6 4192 15.999400 -0.847600 3.6091E+00 1.4977E+01 -1.3556E+00 H1 4193 1.008000 0.423800 3.7554E+00 1.4434E+01 -2.1820E+00 H2 4194 1.008000 0.423800 4.4227E+00 1.5528E+01 -1.1709E+00 O6 4195 15.999400 -0.847600 -1.6709E+01 -1.3841E+01 1.2170E+01 H1 4196 1.008000 0.423800 -1.7412E+01 -1.4455E+01 1.1810E+01 H2 4197 1.008000 0.423800 -1.6214E+01 -1.3419E+01 1.1410E+01 O6 4198 15.999400 -0.847600 -1.5017E+01 8.9791E+00 -6.5653E+00 H1 4199 1.008000 0.423800 -1.4958E+01 8.7577E+00 -7.5387E+00 H2 4200 1.008000 0.423800 -1.4673E+01 8.2093E+00 -6.0272E+00 O6 4201 15.999400 -0.847600 -6.9321E+00 4.2569E-01 -6.1250E+00 H1 4202 1.008000 0.423800 -7.2755E+00 2.3844E-01 -5.2046E+00 H2 4203 1.008000 0.423800 -7.6554E+00 2.4990E-01 -6.7927E+00 O6 4204 15.999400 -0.847600 8.4733E-01 -6.8738E+00 1.0295E+01 H1 4205 1.008000 0.423800 8.8146E-02 -6.2235E+00 1.0268E+01 H2 4206 1.008000 0.423800 1.4261E+00 -6.7443E+00 9.4899E+00 O6 4207 15.999400 -0.847600 1.6248E+00 1.8718E+01 1.4834E+01 H1 4208 1.008000 0.423800 1.4945E+00 1.8908E+01 1.5807E+01 H2 4209 1.008000 0.423800 2.4955E+00 1.9106E+01 1.4532E+01 O6 4210 15.999400 -0.847600 1.7646E+01 1.3330E+01 -5.0926E+00 H1 4211 1.008000 0.423800 1.6883E+01 1.3896E+01 -5.4031E+00 H2 4212 1.008000 0.423800 1.7583E+01 1.2424E+01 -5.5128E+00 O6 4213 15.999400 -0.847600 1.5415E+01 -2.2406E+00 1.9071E+01 H1 4214 1.008000 0.423800 1.5577E+01 -1.6854E+00 -1.9211E+01 H2 4215 1.008000 0.423800 1.5672E+01 -1.7197E+00 1.8257E+01 O6 4216 15.999400 -0.847600 -1.7836E+01 -5.4001E+00 -6.9297E+00 H1 4217 1.008000 0.423800 -1.6913E+01 -5.4287E+00 -6.5450E+00 H2 4218 1.008000 0.423800 -1.8144E+01 -4.4504E+00 -6.9869E+00 O6 4219 15.999400 -0.847600 2.4264E+00 2.3633E+00 6.1995E+00 H1 4220 1.008000 0.423800 1.7703E+00 2.0440E+00 6.8834E+00 H2 4221 1.008000 0.423800 3.1132E+00 2.9409E+00 6.6408E+00 O6 4222 15.999400 -0.847600 1.5410E+01 8.5085E+00 9.6078E+00 H1 4223 1.008000 0.423800 1.4931E+01 8.0231E+00 8.8763E+00 H2 4224 1.008000 0.423800 1.5246E+01 8.0449E+00 1.0478E+01 O6 4225 15.999400 -0.847600 -8.0250E-01 -1.8216E+01 -8.1967E+00 H1 4226 1.008000 0.423800 -1.4942E+00 -1.7813E+01 -8.7964E+00 H2 4227 1.008000 0.423800 -1.7710E-01 -1.7501E+01 -7.8829E+00 O6 4228 15.999400 -0.847600 4.4000E+00 -8.2167E+00 -1.4461E+01 H1 4229 1.008000 0.423800 5.2898E+00 -8.0081E+00 -1.4055E+01 H2 4230 1.008000 0.423800 4.2265E+00 -9.1994E+00 -1.4397E+01 O6 4231 15.999400 -0.847600 -1.2224E+01 -5.9030E+00 -4.3124E+00 H1 4232 1.008000 0.423800 -1.2952E+01 -6.5703E+00 -4.1546E+00 H2 4233 1.008000 0.423800 -1.1489E+01 -6.0478E+00 -3.6494E+00 O6 4234 15.999400 -0.847600 8.4814E+00 1.3722E+01 -1.1165E+01 H1 4235 1.008000 0.423800 9.1553E+00 1.4412E+01 -1.1429E+01 H2 4236 1.008000 0.423800 8.4970E+00 1.3604E+01 -1.0172E+01 O6 4237 15.999400 -0.847600 1.4484E+01 -2.2875E+00 1.3257E-01 H1 4238 1.008000 0.423800 1.3956E+01 -3.1341E+00 2.0035E-01 H2 4239 1.008000 0.423800 1.4027E+01 -1.6593E+00 -4.9703E-01 O6 4240 15.999400 -0.847600 -1.4787E+01 -1.8176E+01 8.7793E+00 H1 4241 1.008000 0.423800 -1.5095E+01 -1.9024E+01 9.2119E+00 H2 4242 1.008000 0.423800 -1.4687E+01 -1.7465E+01 9.4745E+00 O6 4243 15.999400 -0.847600 -1.5646E+01 -2.1922E+00 4.2539E+00 H1 4244 1.008000 0.423800 -1.5108E+01 -1.3492E+00 4.2548E+00 H2 4245 1.008000 0.423800 -1.6109E+01 -2.2913E+00 3.3731E+00 O6 4246 15.999400 -0.847600 -1.7441E+01 5.3239E+00 -1.7848E+00 H1 4247 1.008000 0.423800 -1.6541E+01 5.4111E+00 -1.3581E+00 H2 4248 1.008000 0.423800 -1.8034E+01 6.0636E+00 -1.4665E+00 O6 4249 15.999400 -0.847600 -9.4706E+00 -1.2751E+01 7.0271E+00 H1 4250 1.008000 0.423800 -9.9938E+00 -1.3114E+01 6.2562E+00 H2 4251 1.008000 0.423800 -9.2195E+00 -1.1801E+01 6.8411E+00 O6 4252 15.999400 -0.847600 1.7299E+01 3.9288E+00 6.1038E+00 H1 4253 1.008000 0.423800 1.8007E+01 4.5838E+00 5.8384E+00 H2 4254 1.008000 0.423800 1.6915E+01 3.5027E+00 5.2846E+00 O6 4255 15.999400 -0.847600 -1.0418E+01 -1.6017E+01 -7.6662E+00 H1 4256 1.008000 0.423800 -1.0679E+01 -1.5230E+01 -7.1069E+00 H2 4257 1.008000 0.423800 -9.8342E+00 -1.6627E+01 -7.1309E+00 O6 4258 15.999400 -0.847600 9.1308E+00 9.3470E+00 -1.9157E+00 H1 4259 1.008000 0.423800 8.7315E+00 1.0184E+01 -1.5424E+00 H2 4260 1.008000 0.423800 9.7689E+00 9.5804E+00 -2.6494E+00 O6 4261 15.999400 -0.847600 -1.0820E+00 -8.5808E+00 -7.3942E+00 H1 4262 1.008000 0.423800 -1.3860E+00 -9.4892E+00 -7.1072E+00 H2 4263 1.008000 0.423800 -2.0730E-01 -8.6579E+00 -7.8727E+00 O6 4264 15.999400 -0.847600 -2.6943E+00 -1.7064E+01 -9.6380E+00 H1 4265 1.008000 0.423800 -3.0853E+00 -1.6869E+01 -8.7384E+00 H2 4266 1.008000 0.423800 -3.3624E+00 -1.6840E+01 -1.0347E+01 O6 4267 15.999400 -0.847600 -1.0455E+01 -1.6535E+00 5.0180E+00 H1 4268 1.008000 0.423800 -1.0657E+01 -2.4459E+00 4.4422E+00 H2 4269 1.008000 0.423800 -1.1137E+01 -1.5881E+00 5.7460E+00 O6 4270 15.999400 -0.847600 1.3486E+01 1.7023E+01 1.4362E+01 H1 4271 1.008000 0.423800 1.2712E+01 1.6576E+01 1.3914E+01 H2 4272 1.008000 0.423800 1.3242E+01 1.7968E+01 1.4583E+01 O6 4273 15.999400 -0.847600 -1.1944E+01 8.2203E+00 6.3610E+00 H1 4274 1.008000 0.423800 -1.2684E+01 7.5605E+00 6.2313E+00 H2 4275 1.008000 0.423800 -1.1815E+01 8.3880E+00 7.3383E+00 O6 4276 15.999400 -0.847600 1.9545E+01 1.0908E+01 -1.4718E+01 H1 4277 1.008000 0.423800 1.8816E+01 1.0983E+01 -1.4038E+01 H2 4278 1.008000 0.423800 -1.8807E+01 1.0355E+01 -1.4347E+01 O6 4279 15.999400 -0.847600 1.0748E+00 -1.9282E+01 -4.6023E+00 H1 4280 1.008000 0.423800 9.9300E-02 -1.9426E+01 -4.4357E+00 H2 4281 1.008000 0.423800 1.3172E+00 -1.8340E+01 -4.3698E+00 O6 4282 15.999400 -0.847600 -1.8923E+01 -1.8433E+01 4.0275E+00 H1 4283 1.008000 0.423800 -1.8028E+01 -1.8397E+01 4.4720E+00 H2 4284 1.008000 0.423800 -1.9438E+01 -1.7604E+01 4.2469E+00 O6 4285 15.999400 -0.847600 5.2185E+00 -1.7624E+01 -1.7374E+01 H1 4286 1.008000 0.423800 4.8123E+00 -1.6788E+01 -1.7006E+01 H2 4287 1.008000 0.423800 4.8155E+00 -1.7826E+01 -1.8266E+01 O6 4288 15.999400 -0.847600 -1.2269E+01 1.1562E+01 7.5632E+00 H1 4289 1.008000 0.423800 -1.2460E+01 1.2526E+01 7.7464E+00 H2 4290 1.008000 0.423800 -1.2131E+01 1.1080E+01 8.4282E+00 O6 4291 15.999400 -0.847600 -1.9381E+00 1.9443E+01 2.4845E-01 H1 4292 1.008000 0.423800 -2.5554E+00 1.8670E+01 1.0456E-01 H2 4293 1.008000 0.423800 -1.0450E+00 1.9236E+01 -1.5041E-01 O6 4294 15.999400 -0.847600 -1.4170E+01 -1.2411E+01 -1.8568E+01 H1 4295 1.008000 0.423800 -1.4094E+01 -1.3040E+01 -1.7795E+01 H2 4296 1.008000 0.423800 -1.5019E+01 -1.2594E+01 -1.9064E+01 O6 4297 15.999400 -0.847600 -1.2798E+01 -5.5958E+00 -5.6262E-01 H1 4298 1.008000 0.423800 -1.3680E+01 -5.5325E+00 -9.4558E-02 H2 4299 1.008000 0.423800 -1.2456E+01 -4.6760E+00 -7.5418E-01 O6 4300 15.999400 -0.847600 1.5662E+01 -1.4769E+01 -1.9142E+01 H1 4301 1.008000 0.423800 1.5021E+01 -1.4166E+01 1.9480E+01 H2 4302 1.008000 0.423800 1.5189E+01 -1.5234E+01 -1.8394E+01 O6 4303 15.999400 -0.847600 1.0894E+01 -1.0247E+01 -1.6199E+00 H1 4304 1.008000 0.423800 1.0299E+01 -1.0939E+01 -1.2106E+00 H2 4305 1.008000 0.423800 1.1767E+01 -1.0665E+01 -1.8714E+00 O6 4306 15.999400 -0.847600 1.0744E+01 6.0646E+00 1.3645E+01 H1 4307 1.008000 0.423800 1.0770E+01 5.2565E+00 1.3056E+01 H2 4308 1.008000 0.423800 1.0800E+01 5.7815E+00 1.4602E+01 O6 4309 15.999400 -0.847600 -9.0811E-01 4.3840E+00 -1.6636E+01 H1 4310 1.008000 0.423800 -3.0241E-01 3.6360E+00 -1.6364E+01 H2 4311 1.008000 0.423800 -1.2271E+00 4.8671E+00 -1.5821E+01 O6 4312 15.999400 -0.847600 -1.1253E+01 8.4439E+00 8.9359E+00 H1 4313 1.008000 0.423800 -1.1525E+01 7.6135E+00 9.4219E+00 H2 4314 1.008000 0.423800 -1.1340E+01 9.2312E+00 9.5462E+00 O6 4315 15.999400 -0.847600 -1.0469E+01 -1.1802E+01 3.1670E+00 H1 4316 1.008000 0.423800 -1.1333E+01 -1.1560E+01 2.7246E+00 H2 4317 1.008000 0.423800 -1.0127E+01 -1.1015E+01 3.6807E+00 O6 4318 15.999400 -0.847600 1.5136E+01 2.3992E+00 -1.9377E+01 H1 4319 1.008000 0.423800 1.5192E+01 3.0536E+00 -1.8623E+01 H2 4320 1.008000 0.423800 1.4222E+01 2.4344E+00 1.9316E+01 O6 4321 15.999400 -0.847600 -5.8132E+00 9.7678E+00 9.4413E+00 H1 4322 1.008000 0.423800 -6.5317E+00 9.2714E+00 9.9285E+00 H2 4323 1.008000 0.423800 -5.9379E+00 1.0751E+01 9.5751E+00 O6 4324 15.999400 -0.847600 9.0565E-01 1.7210E+01 -5.0875E+00 H1 4325 1.008000 0.423800 1.0182E+00 1.8199E+01 -4.9966E+00 H2 4326 1.008000 0.423800 1.1910E+00 1.6763E+01 -4.2399E+00 O6 4327 15.999400 -0.847600 1.0666E+01 -4.3297E+00 1.8654E+00 H1 4328 1.008000 0.423800 1.0654E+01 -3.6599E+00 1.1230E+00 H2 4329 1.008000 0.423800 1.0600E+01 -3.8553E+00 2.7433E+00 O6 4330 15.999400 -0.847600 -1.7051E+01 -3.3790E+00 1.6996E+01 H1 4331 1.008000 0.423800 -1.6520E+01 -4.1699E+00 1.6692E+01 H2 4332 1.008000 0.423800 -1.6500E+01 -2.8297E+00 1.7624E+01 O6 4333 15.999400 -0.847600 -1.0373E+01 -1.5021E+01 -1.4277E+01 H1 4334 1.008000 0.423800 -1.1264E+01 -1.4622E+01 -1.4492E+01 H2 4335 1.008000 0.423800 -1.0230E+01 -1.5838E+01 -1.4835E+01 O6 4336 15.999400 -0.847600 -1.0414E+01 1.5500E+01 1.8782E+01 H1 4337 1.008000 0.423800 -9.8507E+00 1.5502E+01 1.7956E+01 H2 4338 1.008000 0.423800 -1.1189E+01 1.4881E+01 1.8656E+01 O6 4339 15.999400 -0.847600 3.3415E+00 8.0386E+00 8.0876E+00 H1 4340 1.008000 0.423800 3.0532E+00 8.5598E+00 7.2843E+00 H2 4341 1.008000 0.423800 4.2193E+00 7.5975E+00 7.9012E+00 O6 4342 15.999400 -0.847600 4.9858E+00 1.4810E+01 1.3413E+01 H1 4343 1.008000 0.423800 5.5981E+00 1.5340E+01 1.3999E+01 H2 4344 1.008000 0.423800 4.1425E+00 1.5325E+01 1.3259E+01 O6 4345 15.999400 -0.847600 -1.4974E+01 1.2637E+01 -2.5407E-02 H1 4346 1.008000 0.423800 -1.3978E+01 1.2685E+01 -1.1093E-01 H2 4347 1.008000 0.423800 -1.5398E+01 1.3112E+01 -7.9700E-01 O6 4348 15.999400 -0.847600 1.1200E+01 1.9465E+01 -2.6143E-01 H1 4349 1.008000 0.423800 1.0258E+01 1.9150E+01 -3.7922E-01 H2 4350 1.008000 0.423800 1.1567E+01 -1.9343E+01 -1.1450E+00 O6 4351 15.999400 -0.847600 -7.5223E+00 4.3800E+00 4.2027E-01 H1 4352 1.008000 0.423800 -6.7960E+00 4.9488E+00 3.4281E-02 H2 4353 1.008000 0.423800 -7.3680E+00 4.2628E+00 1.4013E+00 O6 4354 15.999400 -0.847600 3.3163E+00 -1.1919E+01 1.7957E+01 H1 4355 1.008000 0.423800 3.0034E+00 -1.1296E+01 1.7240E+01 H2 4356 1.008000 0.423800 3.3230E+00 -1.2855E+01 1.7605E+01 O6 4357 15.999400 -0.847600 9.4357E+00 -8.1933E+00 1.7602E+01 H1 4358 1.008000 0.423800 9.2370E+00 -7.2767E+00 1.7949E+01 H2 4359 1.008000 0.423800 9.8419E+00 -8.1239E+00 1.6691E+01 O6 4360 15.999400 -0.847600 3.3166E+00 1.8976E+00 -8.2004E+00 H1 4361 1.008000 0.423800 2.8635E+00 2.4594E+00 -7.5083E+00 H2 4362 1.008000 0.423800 3.4330E+00 2.4306E+00 -9.0384E+00 O6 4363 15.999400 -0.847600 -1.8287E+01 1.0777E+01 1.5911E+01 H1 4364 1.008000 0.423800 -1.8679E+01 9.9351E+00 1.6283E+01 H2 4365 1.008000 0.423800 -1.7942E+01 1.0604E+01 1.4988E+01 O6 4366 15.999400 -0.847600 4.0692E+00 -5.0458E+00 1.2672E+01 H1 4367 1.008000 0.423800 3.9692E+00 -4.9285E+00 1.1684E+01 H2 4368 1.008000 0.423800 4.9637E+00 -4.7033E+00 1.2960E+01 O6 4369 15.999400 -0.847600 -1.5684E+01 -1.7197E+01 2.6289E+00 H1 4370 1.008000 0.423800 -1.5926E+01 -1.7707E+01 3.4544E+00 H2 4371 1.008000 0.423800 -1.6372E+01 -1.6491E+01 2.4597E+00 O6 4372 15.999400 -0.847600 -3.3881E-02 -3.0257E-01 -1.5914E+01 H1 4373 1.008000 0.423800 -7.3276E-01 -1.8765E-02 -1.5258E+01 H2 4374 1.008000 0.423800 7.5441E-01 -6.7269E-01 -1.5423E+01 O6 4375 15.999400 -0.847600 -8.1697E+00 -5.5673E-01 4.5819E+00 H1 4376 1.008000 0.423800 -8.1623E+00 3.3282E-01 5.0387E+00 H2 4377 1.008000 0.423800 -9.0673E+00 -9.8243E-01 4.6957E+00 O6 4378 15.999400 -0.847600 -4.9005E-01 3.7575E+00 -6.7151E+00 H1 4379 1.008000 0.423800 -1.0489E+00 4.3453E+00 -6.1301E+00 H2 4380 1.008000 0.423800 -1.0371E+00 2.9806E+00 -7.0267E+00 O6 4381 15.999400 -0.847600 1.7039E+01 -1.0426E+01 7.5186E+00 H1 4382 1.008000 0.423800 1.6502E+01 -9.8041E+00 6.9486E+00 H2 4383 1.008000 0.423800 1.7559E+01 -9.8982E+00 8.1901E+00 O6 4384 15.999400 -0.847600 1.4354E+01 -1.9045E+01 -2.9650E+00 H1 4385 1.008000 0.423800 1.3799E+01 1.9289E+01 -3.2948E+00 H2 4386 1.008000 0.423800 1.5213E+01 -1.9395E+01 -2.5923E+00 O6 4387 15.999400 -0.847600 1.0773E+00 -1.0282E+01 -5.0463E+00 H1 4388 1.008000 0.423800 9.5042E-02 -1.0326E+01 -5.2288E+00 H2 4389 1.008000 0.423800 1.5696E+00 -1.0798E+01 -5.7474E+00 O6 4390 15.999400 -0.847600 1.6118E+01 1.2856E+01 -1.7739E+01 H1 4391 1.008000 0.423800 1.5523E+01 1.2892E+01 -1.6935E+01 H2 4392 1.008000 0.423800 1.7020E+01 1.2518E+01 -1.7470E+01 O6 4393 15.999400 -0.847600 -6.2074E+00 1.4629E+01 8.9111E+00 H1 4394 1.008000 0.423800 -6.3726E+00 1.3808E+01 9.4571E+00 H2 4395 1.008000 0.423800 -6.5255E+00 1.5433E+01 9.4138E+00 O6 4396 15.999400 -0.847600 7.7376E-01 -6.9063E+00 1.3141E+01 H1 4397 1.008000 0.423800 1.1287E+00 -6.9969E+00 1.2211E+01 H2 4398 1.008000 0.423800 4.5982E-01 -7.7983E+00 1.3467E+01 O6 4399 15.999400 -0.847600 1.1607E+01 -1.8580E+01 -6.7454E+00 H1 4400 1.008000 0.423800 1.0828E+01 -1.9177E+01 -6.9359E+00 H2 4401 1.008000 0.423800 1.1370E+01 -1.7949E+01 -6.0066E+00 O6 4402 15.999400 -0.847600 8.0044E+00 -1.3465E+01 4.9203E+00 H1 4403 1.008000 0.423800 8.2643E+00 -1.2697E+01 4.3354E+00 H2 4404 1.008000 0.423800 7.4948E+00 -1.3125E+01 5.7105E+00 O6 4405 15.999400 -0.847600 -6.1745E+00 -1.2981E+00 6.6572E+00 H1 4406 1.008000 0.423800 -7.0896E+00 -9.1501E-01 6.5306E+00 H2 4407 1.008000 0.423800 -5.6378E+00 -1.1613E+00 5.8246E+00 O6 4408 15.999400 -0.847600 1.2365E+01 -1.2341E+01 -1.1363E+01 H1 4409 1.008000 0.423800 1.1487E+01 -1.2262E+01 -1.0892E+01 H2 4410 1.008000 0.423800 1.2790E+01 -1.3217E+01 -1.1132E+01 O6 4411 15.999400 -0.847600 -8.1361E+00 -4.4047E+00 -7.3812E+00 H1 4412 1.008000 0.423800 -7.7270E+00 -3.9933E+00 -8.1957E+00 H2 4413 1.008000 0.423800 -8.3198E+00 -5.3725E+00 -7.5532E+00 O6 4414 15.999400 -0.847600 2.4213E+00 8.8390E+00 -9.0283E+00 H1 4415 1.008000 0.423800 2.8386E+00 9.6763E+00 -9.3817E+00 H2 4416 1.008000 0.423800 3.0809E+00 8.0893E+00 -9.0828E+00 O6 4417 15.999400 -0.847600 -1.4656E+01 -9.0926E+00 1.6525E+01 H1 4418 1.008000 0.423800 -1.4054E+01 -9.0778E+00 1.7323E+01 H2 4419 1.008000 0.423800 -1.4507E+01 -8.2675E+00 1.5980E+01 O6 4420 15.999400 -0.847600 -8.0719E+00 -1.7160E+01 9.7198E+00 H1 4421 1.008000 0.423800 -8.6197E+00 -1.6887E+01 8.9288E+00 H2 4422 1.008000 0.423800 -7.3055E+00 -1.6527E+01 9.8285E+00 O6 4423 15.999400 -0.847600 4.9190E+00 -6.4244E-01 -1.7855E+00 H1 4424 1.008000 0.423800 4.6904E+00 -6.0805E-02 -1.0048E+00 H2 4425 1.008000 0.423800 5.1387E+00 -1.5629E+00 -1.4622E+00 O6 4426 15.999400 -0.847600 6.8619E+00 3.1217E+00 -7.0758E+00 H1 4427 1.008000 0.423800 6.5274E+00 2.1793E+00 -7.0790E+00 H2 4428 1.008000 0.423800 7.7104E+00 3.1724E+00 -6.5491E+00 O6 4429 15.999400 -0.847600 -7.1957E+00 -1.0137E+01 -1.5951E+01 H1 4430 1.008000 0.423800 -8.0029E+00 -9.6619E+00 -1.6302E+01 H2 4431 1.008000 0.423800 -6.9580E+00 -9.7701E+00 -1.5052E+01 O6 4432 15.999400 -0.847600 -1.9247E+01 -1.1370E+01 1.8881E+01 H1 4433 1.008000 0.423800 -1.8516E+01 -1.1072E+01 1.8267E+01 H2 4434 1.008000 0.423800 -1.8966E+01 -1.2206E+01 1.9353E+01 O6 4435 15.999400 -0.847600 -4.3082E-01 -6.3172E+00 -5.7655E+00 H1 4436 1.008000 0.423800 -7.4343E-01 -7.1497E+00 -6.2229E+00 H2 4437 1.008000 0.423800 -5.8213E-01 -5.5310E+00 -6.3647E+00 O6 4438 15.999400 -0.847600 -1.3959E+01 8.4798E+00 1.8955E+01 H1 4439 1.008000 0.423800 -1.4237E+01 9.1417E+00 1.8259E+01 H2 4440 1.008000 0.423800 -1.3443E+01 7.7398E+00 1.8525E+01 O6 4441 15.999400 -0.847600 1.6341E+01 1.3795E+01 1.7956E+01 H1 4442 1.008000 0.423800 1.5445E+01 1.3492E+01 1.7628E+01 H2 4443 1.008000 0.423800 1.6340E+01 1.3817E+01 1.8956E+01 O6 4444 15.999400 -0.847600 3.1245E+00 1.7684E+01 1.8310E+01 H1 4445 1.008000 0.423800 3.7814E+00 1.7105E+01 1.7827E+01 H2 4446 1.008000 0.423800 3.0918E+00 1.7419E+01 1.9274E+01 O6 4447 15.999400 -0.847600 5.2468E+00 -2.8512E+00 1.0154E+01 H1 4448 1.008000 0.423800 4.3539E+00 -3.2795E+00 1.0014E+01 H2 4449 1.008000 0.423800 5.4691E+00 -2.8536E+00 1.1129E+01 O6 4450 15.999400 -0.847600 1.5357E+00 1.8613E+01 8.2591E+00 H1 4451 1.008000 0.423800 2.2288E+00 1.9314E+01 8.0902E+00 H2 4452 1.008000 0.423800 1.3111E+00 1.8152E+01 7.4002E+00 O6 4453 15.999400 -0.847600 -6.1419E+00 -1.2549E+01 4.4208E+00 H1 4454 1.008000 0.423800 -7.0491E+00 -1.2970E+01 4.4106E+00 H2 4455 1.008000 0.423800 -6.2148E+00 -1.1593E+01 4.1383E+00 O6 4456 15.999400 -0.847600 5.8033E+00 9.7387E+00 1.9284E+01 H1 4457 1.008000 0.423800 5.5349E+00 1.0236E+01 -1.8988E+01 H2 4458 1.008000 0.423800 6.1963E+00 1.0378E+01 1.8623E+01 O6 4459 15.999400 -0.847600 -1.2524E+01 -1.8772E+01 1.1801E+01 H1 4460 1.008000 0.423800 -1.2730E+01 1.9352E+01 1.1704E+01 H2 4461 1.008000 0.423800 -1.1904E+01 -1.8638E+01 1.2573E+01 O6 4462 15.999400 -0.847600 -1.8855E+01 9.9840E+00 -8.4025E-01 H1 4463 1.008000 0.423800 -1.9146E+01 9.0561E+00 -1.0723E+00 H2 4464 1.008000 0.423800 1.9438E+01 1.0558E+01 -6.8682E-01 O6 4465 15.999400 -0.847600 8.4339E+00 1.6633E+01 7.0867E-01 H1 4466 1.008000 0.423800 8.4779E+00 1.6879E+01 -2.5964E-01 H2 4467 1.008000 0.423800 7.6011E+00 1.7013E+01 1.1115E+00 O6 4468 15.999400 -0.847600 -5.2158E-01 -9.7693E+00 -1.8327E+01 H1 4469 1.008000 0.423800 -1.0075E+00 -9.8457E+00 -1.9198E+01 H2 4470 1.008000 0.423800 3.7499E-01 -1.0205E+01 -1.8406E+01 O6 4471 15.999400 -0.847600 6.5922E+00 7.8097E+00 -6.6491E+00 H1 4472 1.008000 0.423800 7.3877E+00 8.0004E+00 -7.2243E+00 H2 4473 1.008000 0.423800 5.9845E+00 8.6038E+00 -6.6468E+00 O6 4474 15.999400 -0.847600 -1.8323E+01 -9.3048E+00 -8.2543E+00 H1 4475 1.008000 0.423800 -1.8398E+01 -9.8973E+00 -7.4522E+00 H2 4476 1.008000 0.423800 -1.8337E+01 -9.8632E+00 -9.0837E+00 O6 4477 15.999400 -0.847600 1.8044E+01 1.9441E+01 -1.3791E+01 H1 4478 1.008000 0.423800 1.9008E+01 1.9338E+01 -1.3545E+01 H2 4479 1.008000 0.423800 1.7606E+01 -1.9015E+01 -1.3161E+01 O6 4480 15.999400 -0.847600 2.6970E+00 -3.4462E+00 -1.5170E+00 H1 4481 1.008000 0.423800 2.6374E+00 -2.8507E+00 -2.3182E+00 H2 4482 1.008000 0.423800 2.0307E+00 -3.1512E+00 -8.3215E-01 O6 4483 15.999400 -0.847600 1.3818E+01 1.1945E+01 1.9138E+01 H1 4484 1.008000 0.423800 1.4216E+01 1.2187E+01 -1.9075E+01 H2 4485 1.008000 0.423800 1.2889E+01 1.1601E+01 1.9272E+01 O6 4486 15.999400 -0.847600 3.6541E-01 -1.2756E+01 1.3880E+01 H1 4487 1.008000 0.423800 6.8789E-01 -1.3139E+01 1.3015E+01 H2 4488 1.008000 0.423800 -4.6391E-01 -1.2221E+01 1.3720E+01 O6 4489 15.999400 -0.847600 1.2685E+01 -7.2443E+00 -1.9053E+01 H1 4490 1.008000 0.423800 1.2546E+01 -8.2176E+00 -1.9235E+01 H2 4491 1.008000 0.423800 1.1820E+01 -6.8315E+00 -1.8768E+01 O6 4492 15.999400 -0.847600 -1.6778E+01 -1.7382E+01 1.1387E+01 H1 4493 1.008000 0.423800 -1.7732E+01 -1.7176E+01 1.1606E+01 H2 4494 1.008000 0.423800 -1.6381E+01 -1.6617E+01 1.0881E+01 O6 4495 15.999400 -0.847600 8.9658E+00 1.0485E+01 -8.4005E+00 H1 4496 1.008000 0.423800 8.0249E+00 1.0608E+01 -8.7162E+00 H2 4497 1.008000 0.423800 9.0036E+00 1.0610E+01 -7.4090E+00 O6 4498 15.999400 -0.847600 -9.6812E+00 1.5867E+01 -6.0946E+00 H1 4499 1.008000 0.423800 -9.1972E+00 1.5025E+01 -6.3343E+00 H2 4500 1.008000 0.423800 -9.7243E+00 1.5955E+01 -5.0994E+00 O6 4501 15.999400 -0.847600 -4.3087E+00 -1.6142E+00 -2.5525E+00 H1 4502 1.008000 0.423800 -5.2036E+00 -1.7105E+00 -2.1167E+00 H2 4503 1.008000 0.423800 -4.3602E+00 -9.1892E-01 -3.2694E+00 O6 4504 15.999400 -0.847600 1.7821E+01 6.1384E+00 1.7719E+01 H1 4505 1.008000 0.423800 1.7141E+01 5.4226E+00 1.7560E+01 H2 4506 1.008000 0.423800 1.8654E+01 5.9264E+00 1.7208E+01 O6 4507 15.999400 -0.847600 -1.2410E+01 -7.8062E+00 -1.6099E+01 H1 4508 1.008000 0.423800 -1.2765E+01 -7.3163E+00 -1.5303E+01 H2 4509 1.008000 0.423800 -1.2435E+01 -7.2053E+00 -1.6898E+01 O6 4510 15.999400 -0.847600 -1.4152E+01 -1.0076E+01 -7.3400E+00 H1 4511 1.008000 0.423800 -1.5107E+01 -1.0240E+01 -7.0945E+00 H2 4512 1.008000 0.423800 -1.4107E+01 -9.6662E+00 -8.2509E+00 O6 4513 15.999400 -0.847600 -1.7613E+01 -9.4898E+00 -1.7507E+01 H1 4514 1.008000 0.423800 -1.8008E+01 -1.0342E+01 -1.7165E+01 H2 4515 1.008000 0.423800 -1.7044E+01 -9.0771E+00 -1.6797E+01 O6 4516 15.999400 -0.847600 -1.8878E+01 -4.8603E+00 1.7890E+01 H1 4517 1.008000 0.423800 -1.8208E+01 -4.3450E+00 1.7355E+01 H2 4518 1.008000 0.423800 -1.8549E+01 -4.9616E+00 1.8828E+01 O6 4519 15.999400 -0.847600 4.7115E+00 1.4488E+01 -3.8019E+00 H1 4520 1.008000 0.423800 5.3794E+00 1.3985E+01 -4.3512E+00 H2 4521 1.008000 0.423800 4.3951E+00 1.5288E+01 -4.3113E+00 O6 4522 15.999400 -0.847600 1.4738E+01 1.7728E+01 -6.3287E+00 H1 4523 1.008000 0.423800 1.4501E+01 1.7689E+01 -7.2993E+00 H2 4524 1.008000 0.423800 1.5668E+01 1.8082E+01 -6.2271E+00 O6 4525 15.999400 -0.847600 1.1311E+01 6.1471E+00 2.2222E+00 H1 4526 1.008000 0.423800 1.0380E+01 6.2902E+00 1.8873E+00 H2 4527 1.008000 0.423800 1.1414E+01 6.5824E+00 3.1165E+00 O6 4528 15.999400 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-1.6545E+01 1.5607E+01 -1.2939E+01 H2 4545 1.008000 0.423800 -1.5058E+01 1.5926E+01 -1.3534E+01 O6 4546 15.999400 -0.847600 -1.0427E+01 -7.7479E+00 -6.2805E+00 H1 4547 1.008000 0.423800 -1.0876E+01 -6.9695E+00 -6.7195E+00 H2 4548 1.008000 0.423800 -9.7255E+00 -7.4159E+00 -5.6504E+00 O6 4549 15.999400 -0.847600 9.8468E+00 -1.9013E+01 1.5664E+01 H1 4550 1.008000 0.423800 1.0840E+01 -1.9127E+01 1.5662E+01 H2 4551 1.008000 0.423800 9.5905E+00 -1.8332E+01 1.6351E+01 O6 4552 15.999400 -0.847600 4.0847E-01 9.8863E-02 1.2517E+01 H1 4553 1.008000 0.423800 3.1463E-01 1.0431E+00 1.2832E+01 H2 4554 1.008000 0.423800 -1.8282E-01 -4.9510E-01 1.3062E+01 O6 4555 15.999400 -0.847600 5.7038E+00 1.3297E+01 1.5715E+01 H1 4556 1.008000 0.423800 5.7922E+00 1.2750E+01 1.4883E+01 H2 4557 1.008000 0.423800 4.7534E+00 1.3280E+01 1.6026E+01 O6 4558 15.999400 -0.847600 -9.3498E+00 -7.4216E+00 1.0397E+00 H1 4559 1.008000 0.423800 -9.8538E+00 -7.2921E+00 1.8937E+00 H2 4560 1.008000 0.423800 -9.9223E+00 -7.9174E+00 3.8677E-01 O6 4561 15.999400 -0.847600 -6.8021E+00 -4.9074E+00 -1.8734E+01 H1 4562 1.008000 0.423800 -6.1350E+00 -5.6520E+00 -1.8759E+01 H2 4563 1.008000 0.423800 -7.6788E+00 -5.2563E+00 -1.8403E+01 O6 4564 15.999400 -0.847600 2.1995E+00 1.4070E+01 1.0743E+00 H1 4565 1.008000 0.423800 2.6009E+00 1.3171E+01 1.2502E+00 H2 4566 1.008000 0.423800 2.6057E+00 1.4460E+01 2.4813E-01 O6 4567 15.999400 -0.847600 3.5661E+00 -3.1939E+00 -7.2521E+00 H1 4568 1.008000 0.423800 3.1360E+00 -2.5284E+00 -7.8621E+00 H2 4569 1.008000 0.423800 4.3278E+00 -3.6362E+00 -7.7255E+00 O6 4570 15.999400 -0.847600 -6.7456E+00 1.4177E+01 -1.8542E+01 H1 4571 1.008000 0.423800 -6.6489E+00 1.4311E+01 -1.9529E+01 H2 4572 1.008000 0.423800 -7.6639E+00 1.4451E+01 -1.8257E+01 O6 4573 15.999400 -0.847600 1.8109E+01 2.8437E+00 -7.4639E+00 H1 4574 1.008000 0.423800 1.7302E+01 3.0223E+00 -8.0272E+00 H2 4575 1.008000 0.423800 1.8913E+01 2.7559E+00 -8.0519E+00 O6 4576 15.999400 -0.847600 -4.6148E+00 9.8060E+00 -1.7447E+01 H1 4577 1.008000 0.423800 -5.1766E+00 8.9788E+00 -1.7436E+01 H2 4578 1.008000 0.423800 -3.8366E+00 9.6726E+00 -1.8060E+01 O6 4579 15.999400 -0.847600 -1.2768E+01 -1.4624E+01 -3.6946E+00 H1 4580 1.008000 0.423800 -1.2999E+01 -1.4584E+01 -4.6669E+00 H2 4581 1.008000 0.423800 -1.3608E+01 -1.4660E+01 -3.1540E+00 O6 4582 15.999400 -0.847600 -6.3498E+00 -1.5002E+01 9.7513E+00 H1 4583 1.008000 0.423800 -6.5627E+00 -1.4461E+01 8.9377E+00 H2 4584 1.008000 0.423800 -5.7481E+00 -1.4477E+01 1.0353E+01 O6 4585 15.999400 -0.847600 -3.6593E+00 4.2451E+00 -2.7854E+00 H1 4586 1.008000 0.423800 -3.3209E+00 4.0628E+00 -1.8622E+00 H2 4587 1.008000 0.423800 -4.1503E+00 3.4428E+00 -3.1248E+00 O6 4588 15.999400 -0.847600 -1.2011E+01 1.3699E+01 1.1632E+01 H1 4589 1.008000 0.423800 -1.1785E+01 1.4513E+01 1.1097E+01 H2 4590 1.008000 0.423800 -1.2826E+01 1.3263E+01 1.1249E+01 O6 4591 15.999400 -0.847600 -1.4371E+01 -2.1805E+00 -6.4929E+00 H1 4592 1.008000 0.423800 -1.3772E+01 -1.5016E+00 -6.9165E+00 H2 4593 1.008000 0.423800 -1.4181E+01 -3.0820E+00 -6.8819E+00 O6 4594 15.999400 -0.847600 -4.4539E+00 -1.5594E+01 -1.9429E+01 H1 4595 1.008000 0.423800 -5.3970E+00 -1.5924E+01 -1.9469E+01 H2 4596 1.008000 0.423800 -3.9869E+00 -1.6011E+01 -1.8650E+01 O6 4597 15.999400 -0.847600 9.2179E+00 1.7606E+01 1.9327E+01 H1 4598 1.008000 0.423800 8.2689E+00 1.7614E+01 -1.9455E+01 H2 4599 1.008000 0.423800 9.6718E+00 1.8449E+01 -1.9482E+01 O6 4600 15.999400 -0.847600 -1.8823E+01 -1.4833E+01 -9.3304E+00 H1 4601 1.008000 0.423800 1.9492E+01 -1.5454E+01 -9.3899E+00 H2 4602 1.008000 0.423800 -1.9039E+01 -1.3980E+01 -9.8055E+00 O6 4603 15.999400 -0.847600 1.9520E+01 -8.4056E+00 -4.3740E+00 H1 4604 1.008000 0.423800 1.9090E+01 -8.0085E+00 -3.5632E+00 H2 4605 1.008000 0.423800 1.9348E+01 -7.8179E+00 -5.1644E+00 O6 4606 15.999400 -0.847600 1.7802E+01 1.5054E+01 -1.8895E+01 H1 4607 1.008000 0.423800 1.8307E+01 1.5848E+01 -1.8556E+01 H2 4608 1.008000 0.423800 1.8291E+01 1.4656E+01 1.9426E+01 O6 4609 15.999400 -0.847600 -1.8980E+00 -4.2066E-01 -1.8276E+01 H1 4610 1.008000 0.423800 -2.7363E+00 -6.1916E-01 -1.7768E+01 H2 4611 1.008000 0.423800 -1.1063E+00 -5.7045E-01 -1.7683E+01 O6 4612 15.999400 -0.847600 9.4381E+00 6.4449E+00 -8.3301E+00 H1 4613 1.008000 0.423800 9.8082E+00 5.9703E+00 -7.5315E+00 H2 4614 1.008000 0.423800 8.8186E+00 5.8342E+00 -8.8232E+00 O6 4615 15.999400 -0.847600 -6.8364E+00 3.7597E+00 -1.9527E+01 H1 4616 1.008000 0.423800 -6.5596E+00 2.8440E+00 1.9280E+01 H2 4617 1.008000 0.423800 -7.7498E+00 3.7188E+00 -1.9122E+01 O6 4618 15.999400 -0.847600 6.2934E+00 -3.1245E+00 -1.3506E+01 H1 4619 1.008000 0.423800 6.7535E+00 -3.5979E+00 -1.2755E+01 H2 4620 1.008000 0.423800 5.3264E+00 -3.3788E+00 -1.3518E+01 O6 4621 15.999400 -0.847600 7.7983E+00 6.5504E+00 1.5861E+01 H1 4622 1.008000 0.423800 8.6388E+00 7.0617E+00 1.6041E+01 H2 4623 1.008000 0.423800 7.4995E+00 6.0951E+00 1.6700E+01 O6 4624 15.999400 -0.847600 -5.4187E+00 -1.4878E+00 -1.8950E+01 H1 4625 1.008000 0.423800 -5.0149E+00 -9.5629E-01 1.9403E+01 H2 4626 1.008000 0.423800 -5.0066E+00 -1.2113E+00 -1.8082E+01 O6 4627 15.999400 -0.847600 1.7868E+01 -7.3239E+00 9.7455E+00 H1 4628 1.008000 0.423800 1.8356E+01 -6.5009E+00 1.0037E+01 H2 4629 1.008000 0.423800 1.8496E+01 -7.9283E+00 9.2559E+00 O6 4630 15.999400 -0.847600 1.2762E+01 -9.5065E+00 -5.0761E+00 H1 4631 1.008000 0.423800 1.1952E+01 -8.9203E+00 -5.0658E+00 H2 4632 1.008000 0.423800 1.2762E+01 -1.0061E+01 -5.9083E+00 O6 4633 15.999400 -0.847600 6.6770E+00 -7.8901E+00 2.2951E+00 H1 4634 1.008000 0.423800 7.4721E+00 -7.3147E+00 2.1029E+00 H2 4635 1.008000 0.423800 6.2979E+00 -8.2326E+00 1.4355E+00 O6 4636 15.999400 -0.847600 -1.6930E+01 1.6670E+01 7.6022E+00 H1 4637 1.008000 0.423800 -1.6517E+01 1.5759E+01 7.5941E+00 H2 4638 1.008000 0.423800 -1.7766E+01 1.6652E+01 8.1500E+00 O6 4639 15.999400 -0.847600 -1.7039E+01 -2.6266E+00 2.0377E+00 H1 4640 1.008000 0.423800 -1.6494E+01 -3.0206E+00 1.2976E+00 H2 4641 1.008000 0.423800 -1.8003E+01 -2.8523E+00 1.8982E+00 O6 4642 15.999400 -0.847600 6.4343E+00 1.7298E+01 -1.9399E+01 H1 4643 1.008000 0.423800 6.1621E+00 1.7056E+01 -1.8467E+01 H2 4644 1.008000 0.423800 5.8817E+00 1.6782E+01 1.9045E+01 O6 4645 15.999400 -0.847600 1.5535E+00 1.9497E+01 -8.7735E+00 H1 4646 1.008000 0.423800 1.5392E+00 1.8589E+01 -8.3551E+00 H2 4647 1.008000 0.423800 6.2297E-01 -1.9236E+01 -8.8115E+00 O6 4648 15.999400 -0.847600 -1.2088E+01 1.5347E+01 1.5336E+01 H1 4649 1.008000 0.423800 -1.1798E+01 1.4422E+01 1.5579E+01 H2 4650 1.008000 0.423800 -1.3057E+01 1.5338E+01 1.5087E+01 O6 4651 15.999400 -0.847600 -1.5305E+01 -6.7287E+00 1.2747E+01 H1 4652 1.008000 0.423800 -1.4870E+01 -6.6589E+00 1.3645E+01 H2 4653 1.008000 0.423800 -1.6295E+01 -6.6287E+00 1.2848E+01 O6 4654 15.999400 -0.847600 -7.3121E+00 6.8155E+00 7.5431E+00 H1 4655 1.008000 0.423800 -7.8464E+00 6.0537E+00 7.9097E+00 H2 4656 1.008000 0.423800 -6.3411E+00 6.5768E+00 7.5534E+00 O6 4657 15.999400 -0.847600 -1.1433E+01 8.0449E+00 -4.7738E+00 H1 4658 1.008000 0.423800 -1.0699E+01 7.6559E+00 -4.2168E+00 H2 4659 1.008000 0.423800 -1.2062E+01 8.5545E+00 -4.1871E+00 O6 4660 15.999400 -0.847600 7.7237E+00 1.7631E+01 -6.1930E+00 H1 4661 1.008000 0.423800 6.8922E+00 1.8127E+01 -5.9416E+00 H2 4662 1.008000 0.423800 7.6317E+00 1.6671E+01 -5.9299E+00 O6 4663 15.999400 -0.847600 1.2416E+01 -1.9038E+01 6.2264E+00 H1 4664 1.008000 0.423800 1.2509E+01 -1.8045E+01 6.1600E+00 H2 4665 1.008000 0.423800 1.2565E+01 -1.9448E+01 5.3262E+00 O6 4666 15.999400 -0.847600 -5.3155E+00 -1.3012E+01 -5.8765E+00 H1 4667 1.008000 0.423800 -4.4228E+00 -1.2663E+01 -6.1617E+00 H2 4668 1.008000 0.423800 -6.0362E+00 -1.2532E+01 -6.3768E+00 O6 4669 15.999400 -0.847600 -1.7136E+01 1.9190E+01 1.2338E+01 H1 4670 1.008000 0.423800 -1.6611E+01 1.8373E+01 1.2099E+01 H2 4671 1.008000 0.423800 -1.6771E+01 -1.9119E+01 1.1843E+01 O6 4672 15.999400 -0.847600 1.0058E+00 -2.5135E+00 8.7911E-01 H1 4673 1.008000 0.423800 1.3484E+00 -3.1510E+00 1.5692E+00 H2 4674 1.008000 0.423800 1.2374E+00 -1.5779E+00 1.1456E+00 O6 4675 15.999400 -0.847600 -1.7515E+01 -1.4126E+01 1.6253E+01 H1 4676 1.008000 0.423800 -1.7249E+01 -1.3330E+01 1.5710E+01 H2 4677 1.008000 0.423800 -1.7516E+01 -1.4940E+01 1.5672E+01 O6 4678 15.999400 -0.847600 -5.7049E-02 -8.8218E+00 1.4674E+01 H1 4679 1.008000 0.423800 -9.8290E-01 -8.9898E+00 1.5013E+01 H2 4680 1.008000 0.423800 5.9869E-01 -9.3337E+00 1.5229E+01 O6 4681 15.999400 -0.847600 1.9167E+01 8.9672E+00 -3.5805E+00 H1 4682 1.008000 0.423800 1.9183E+01 7.9707E+00 -3.6625E+00 H2 4683 1.008000 0.423800 -1.9060E+01 9.2852E+00 -3.2060E+00 O6 4684 15.999400 -0.847600 -7.0224E+00 5.0763E+00 -2.8358E+00 H1 4685 1.008000 0.423800 -6.4069E+00 4.5714E+00 -3.4411E+00 H2 4686 1.008000 0.423800 -6.4855E+00 5.6528E+00 -2.2200E+00 O6 4687 15.999400 -0.847600 1.5357E+01 -7.9676E+00 -1.2676E+00 H1 4688 1.008000 0.423800 1.5594E+01 -7.7381E+00 -3.2349E-01 H2 4689 1.008000 0.423800 1.4614E+01 -8.6369E+00 -1.2716E+00 O6 4690 15.999400 -0.847600 1.5473E+01 -8.2219E+00 1.3562E+01 H1 4691 1.008000 0.423800 1.5942E+01 -8.4941E+00 1.2722E+01 H2 4692 1.008000 0.423800 1.6136E+01 -7.8408E+00 1.4206E+01 O6 4693 15.999400 -0.847600 2.8943E+00 -6.4340E-01 1.8084E+01 H1 4694 1.008000 0.423800 3.2896E+00 -1.3619E+00 1.8657E+01 H2 4695 1.008000 0.423800 3.6170E+00 -2.1241E-01 1.7544E+01 O6 4696 15.999400 -0.847600 1.7555E+01 1.6690E+01 -1.4874E+01 H1 4697 1.008000 0.423800 1.7713E+01 1.7543E+01 -1.4377E+01 H2 4698 1.008000 0.423800 1.8326E+01 1.6514E+01 -1.5486E+01 O6 4699 15.999400 -0.847600 -4.8213E+00 -9.7730E+00 -1.0965E+01 H1 4700 1.008000 0.423800 -4.8030E+00 -1.0719E+01 -1.0643E+01 H2 4701 1.008000 0.423800 -3.9351E+00 -9.3441E+00 -1.0790E+01 O6 4702 15.999400 -0.847600 1.8927E+01 1.1929E+01 -1.7204E+01 H1 4703 1.008000 0.423800 1.8919E+01 1.1205E+01 -1.6514E+01 H2 4704 1.008000 0.423800 -1.9439E+01 1.2579E+01 -1.6997E+01 O6 4705 15.999400 -0.847600 1.6578E+01 -8.9088E+00 1.8014E+01 H1 4706 1.008000 0.423800 1.5612E+01 -9.1668E+00 1.8020E+01 H2 4707 1.008000 0.423800 1.7132E+01 -9.6826E+00 1.8322E+01 O6 4708 15.999400 -0.847600 -9.8415E+00 1.0668E+01 4.4140E-01 H1 4709 1.008000 0.423800 -1.0761E+01 1.0475E+01 7.8522E-01 H2 4710 1.008000 0.423800 -9.9048E+00 1.1240E+01 -3.7684E-01 O6 4711 15.999400 -0.847600 1.2673E+00 1.7172E+01 6.1139E+00 H1 4712 1.008000 0.423800 1.2671E+00 1.7620E+01 5.2194E+00 H2 4713 1.008000 0.423800 7.2438E-01 1.6334E+01 6.0675E+00 O6 4714 15.999400 -0.847600 -1.7223E+01 8.9996E-01 5.8874E+00 H1 4715 1.008000 0.423800 -1.7051E+01 1.7744E+00 5.4336E+00 H2 4716 1.008000 0.423800 -1.6884E+01 1.5446E-01 5.3134E+00 O6 4717 15.999400 -0.847600 -3.2149E-01 1.2786E+01 1.5598E+01 H1 4718 1.008000 0.423800 -1.3791E-02 1.3737E+01 1.5568E+01 H2 4719 1.008000 0.423800 -8.6299E-03 1.2308E+01 1.4777E+01 O6 4720 15.999400 -0.847600 -1.8185E+01 3.6495E-01 -1.0737E+01 H1 4721 1.008000 0.423800 -1.7496E+01 1.0771E+00 -1.0871E+01 H2 4722 1.008000 0.423800 -1.7849E+01 -4.9851E-01 -1.1114E+01 O6 4723 15.999400 -0.847600 -1.3567E+01 -1.8383E+01 6.3572E+00 H1 4724 1.008000 0.423800 -1.4360E+01 -1.8893E+01 6.0229E+00 H2 4725 1.008000 0.423800 -1.3713E+01 -1.8130E+01 7.3135E+00 O6 4726 15.999400 -0.847600 -9.2255E+00 -1.3131E+01 9.6300E+00 H1 4727 1.008000 0.423800 -8.2419E+00 -1.3226E+01 9.4762E+00 H2 4728 1.008000 0.423800 -9.6512E+00 -1.2723E+01 8.8227E+00 O6 4729 15.999400 -0.847600 -2.1383E+00 -1.1266E+01 1.3679E+01 H1 4730 1.008000 0.423800 -2.3337E+00 -1.0374E+01 1.4086E+01 H2 4731 1.008000 0.423800 -2.9546E+00 -1.1605E+01 1.3211E+01 O6 4732 15.999400 -0.847600 1.6921E+01 5.9567E+00 -1.5674E+01 H1 4733 1.008000 0.423800 1.6610E+01 5.7997E+00 -1.4737E+01 H2 4734 1.008000 0.423800 1.7450E+01 6.8047E+00 -1.5712E+01 O6 4735 15.999400 -0.847600 -1.8477E+01 -2.6675E+00 1.4486E+01 H1 4736 1.008000 0.423800 -1.9411E+01 -2.9560E+00 1.4693E+01 H2 4737 1.008000 0.423800 -1.7874E+01 -2.9188E+00 1.5243E+01 O6 4738 15.999400 -0.847600 6.7817E+00 -1.3697E+01 1.1990E+01 H1 4739 1.008000 0.423800 6.9967E+00 -1.3086E+01 1.1228E+01 H2 4740 1.008000 0.423800 7.5893E+00 -1.4240E+01 1.2219E+01 O6 4741 15.999400 -0.847600 1.0298E+01 1.5741E+01 -2.2057E+00 H1 4742 1.008000 0.423800 1.0908E+01 1.5751E+01 -1.4131E+00 H2 4743 1.008000 0.423800 1.0563E+01 1.6469E+01 -2.8385E+00 O6 4744 15.999400 -0.847600 1.6379E+01 -1.0730E+01 5.3273E-01 H1 4745 1.008000 0.423800 1.6288E+01 -1.1720E+01 4.2421E-01 H2 4746 1.008000 0.423800 1.6374E+01 -1.0499E+01 1.5058E+00 O6 4747 15.999400 -0.847600 8.5285E+00 1.1619E+01 1.1066E+01 H1 4748 1.008000 0.423800 7.7238E+00 1.2192E+01 1.1222E+01 H2 4749 1.008000 0.423800 8.4173E+00 1.0750E+01 1.1549E+01 O6 4750 15.999400 -0.847600 9.7799E+00 -1.2414E+01 -4.2024E+00 H1 4751 1.008000 0.423800 1.0369E+01 -1.2826E+01 -3.5076E+00 H2 4752 1.008000 0.423800 1.0001E+01 -1.1443E+01 -4.2943E+00 O6 4753 15.999400 -0.847600 1.8069E+01 -1.7600E+01 9.8528E+00 H1 4754 1.008000 0.423800 1.7095E+01 -1.7427E+01 9.9963E+00 H2 4755 1.008000 0.423800 1.8589E+01 -1.7240E+01 1.0627E+01 O6 4756 15.999400 -0.847600 -9.0804E+00 5.0344E+00 8.4869E+00 H1 4757 1.008000 0.423800 -9.1547E+00 5.5692E+00 9.3287E+00 H2 4758 1.008000 0.423800 -8.8696E+00 4.0835E+00 8.7138E+00 O6 4759 15.999400 -0.847600 1.7187E+00 1.6553E+01 -2.4405E+00 H1 4760 1.008000 0.423800 2.1158E+00 1.7471E+01 -2.4526E+00 H2 4761 1.008000 0.423800 2.3824E+00 1.5908E+01 -2.0624E+00 O6 4762 15.999400 -0.847600 1.2570E+01 -1.4211E+01 8.4073E+00 H1 4763 1.008000 0.423800 1.3240E+01 -1.3610E+01 8.8431E+00 H2 4764 1.008000 0.423800 1.2085E+01 -1.4733E+01 9.1087E+00 O6 4765 15.999400 -0.847600 -8.3303E+00 -3.5472E-01 -8.3526E+00 H1 4766 1.008000 0.423800 -9.3119E+00 -5.3086E-01 -8.2788E+00 H2 4767 1.008000 0.423800 -7.8691E+00 -1.1747E+00 -8.6916E+00 O6 4768 15.999400 -0.847600 1.0475E+01 5.2499E+00 -6.1847E+00 H1 4769 1.008000 0.423800 1.0423E+01 5.8150E+00 -5.3613E+00 H2 4770 1.008000 0.423800 9.9565E+00 4.4066E+00 -6.0431E+00 O6 4771 15.999400 -0.847600 1.2117E+01 1.5280E+01 1.0282E+01 H1 4772 1.008000 0.423800 1.3011E+01 1.5658E+01 1.0040E+01 H2 4773 1.008000 0.423800 1.1623E+01 1.5033E+01 9.4488E+00 O6 4774 15.999400 -0.847600 1.7198E+01 1.2263E+01 -2.6624E+00 H1 4775 1.008000 0.423800 1.8060E+01 1.2173E+01 -2.1641E+00 H2 4776 1.008000 0.423800 1.7383E+01 1.2563E+01 -3.5981E+00 O6 4777 15.999400 -0.847600 1.8443E+00 -6.1615E+00 7.7502E+00 H1 4778 1.008000 0.423800 2.2925E+00 -6.9003E+00 7.2470E+00 H2 4779 1.008000 0.423800 1.3980E+00 -5.5416E+00 7.1049E+00 O6 4780 15.999400 -0.847600 -1.4933E+01 1.2731E+01 2.4075E+00 H1 4781 1.008000 0.423800 -1.4995E+01 1.2740E+01 1.4095E+00 H2 4782 1.008000 0.423800 -1.4310E+01 1.2003E+01 2.6955E+00 O6 4783 15.999400 -0.847600 1.3450E+01 -1.8262E+00 1.0295E+01 H1 4784 1.008000 0.423800 1.3961E+01 -2.6803E+00 1.0201E+01 H2 4785 1.008000 0.423800 1.3521E+01 -1.3001E+00 9.4479E+00 O6 4786 15.999400 -0.847600 -8.4020E-01 -1.5102E+01 -9.3172E+00 H1 4787 1.008000 0.423800 -8.3838E-01 -1.4965E+01 -8.3267E+00 H2 4788 1.008000 0.423800 -1.6489E+00 -1.5629E+01 -9.5790E+00 O6 4789 15.999400 -0.847600 1.7823E+01 -1.7172E+01 1.9454E+00 H1 4790 1.008000 0.423800 1.7128E+01 -1.7599E+01 2.5243E+00 H2 4791 1.008000 0.423800 1.8497E+01 -1.7858E+01 1.6729E+00 O6 4792 15.999400 -0.847600 1.3104E+01 -1.2303E+00 -1.3883E+01 H1 4793 1.008000 0.423800 1.4022E+01 -1.1499E+00 -1.4274E+01 H2 4794 1.008000 0.423800 1.2949E+01 -2.1730E+00 -1.3588E+01 O6 4795 15.999400 -0.847600 3.5648E+00 -8.4059E+00 -1.8617E+01 H1 4796 1.008000 0.423800 3.4664E+00 -7.6271E+00 -1.9236E+01 H2 4797 1.008000 0.423800 4.5279E+00 -8.6695E+00 -1.8563E+01 O6 4798 15.999400 -0.847600 9.5303E+00 -5.6422E+00 -9.5055E+00 H1 4799 1.008000 0.423800 1.0193E+01 -4.9714E+00 -9.1716E+00 H2 4800 1.008000 0.423800 8.7778E+00 -5.7215E+00 -8.8518E+00 O6 4801 15.999400 -0.847600 7.7701E+00 1.3207E+01 -1.4841E+01 H1 4802 1.008000 0.423800 6.8605E+00 1.2980E+01 -1.5189E+01 H2 4803 1.008000 0.423800 8.2632E+00 1.2365E+01 -1.4623E+01 O6 4804 15.999400 -0.847600 -1.1137E+01 1.8480E+01 -4.1172E+00 H1 4805 1.008000 0.423800 -1.0942E+01 1.9433E+01 -3.8833E+00 H2 4806 1.008000 0.423800 -1.1969E+01 1.8437E+01 -4.6708E+00 O6 4807 15.999400 -0.847600 7.2977E+00 6.7829E+00 -1.0744E+01 H1 4808 1.008000 0.423800 7.4739E+00 5.9563E+00 -1.0209E+01 H2 4809 1.008000 0.423800 7.8087E+00 7.5481E+00 -1.0352E+01 O6 4810 15.999400 -0.847600 -1.0840E+01 -1.5931E+01 4.3451E+00 H1 4811 1.008000 0.423800 -1.1674E+01 -1.6107E+01 3.8221E+00 H2 4812 1.008000 0.423800 -1.0830E+01 -1.4977E+01 4.6456E+00 O6 4813 15.999400 -0.847600 -9.2072E+00 3.4823E+00 -1.8359E+01 H1 4814 1.008000 0.423800 -9.3566E+00 3.7156E+00 -1.7398E+01 H2 4815 1.008000 0.423800 -9.7015E+00 2.6413E+00 -1.8579E+01 O6 4816 15.999400 -0.847600 1.8424E+01 1.4028E+01 1.6165E+01 H1 4817 1.008000 0.423800 1.7594E+01 1.4173E+01 1.6703E+01 H2 4818 1.008000 0.423800 1.8202E+01 1.3501E+01 1.5345E+01 O6 4819 15.999400 -0.847600 1.7724E+01 -1.1649E+01 1.5766E+01 H1 4820 1.008000 0.423800 1.7209E+01 -1.1825E+01 1.6605E+01 H2 4821 1.008000 0.423800 1.8457E+01 -1.0996E+01 1.5956E+01 O6 4822 15.999400 -0.847600 1.1017E+01 1.6559E+01 5.9778E+00 H1 4823 1.008000 0.423800 1.0506E+01 1.7034E+01 6.6946E+00 H2 4824 1.008000 0.423800 1.1613E+01 1.7210E+01 5.5077E+00 O6 4825 15.999400 -0.847600 -9.9237E+00 -1.4199E+01 -3.1895E+00 H1 4826 1.008000 0.423800 -1.0906E+01 -1.4180E+01 -3.3741E+00 H2 4827 1.008000 0.423800 -9.5415E+00 -1.3285E+01 -3.3240E+00 O6 4828 15.999400 -0.847600 -1.0210E+01 4.5206E+00 -9.3792E+00 H1 4829 1.008000 0.423800 -9.6048E+00 4.9950E+00 -1.0018E+01 H2 4830 1.008000 0.423800 -9.8455E+00 3.6094E+00 -9.1882E+00 O6 4831 15.999400 -0.847600 3.8158E+00 4.0864E+00 -1.0773E+01 H1 4832 1.008000 0.423800 4.0217E+00 4.2157E+00 -1.1743E+01 H2 4833 1.008000 0.423800 3.9649E+00 4.9454E+00 -1.0283E+01 O6 4834 15.999400 -0.847600 1.7822E+01 -1.3092E+00 -1.3467E+00 H1 4835 1.008000 0.423800 1.7241E+01 -1.3549E+00 -2.1589E+00 H2 4836 1.008000 0.423800 1.7484E+01 -1.9507E+00 -6.5815E-01 O6 4837 15.999400 -0.847600 1.3789E+01 -4.3372E-01 7.7833E+00 H1 4838 1.008000 0.423800 1.4629E+01 -7.0885E-01 7.3153E+00 H2 4839 1.008000 0.423800 1.3205E+01 7.2714E-02 7.1491E+00 O6 4840 15.999400 -0.847600 -7.9706E+00 -7.2276E+00 -4.7900E+00 H1 4841 1.008000 0.423800 -7.5036E+00 -6.3936E+00 -5.0840E+00 H2 4842 1.008000 0.423800 -7.8713E+00 -7.3340E+00 -3.8006E+00 O6 4843 15.999400 -0.847600 -1.3775E+00 1.1450E+01 -1.2160E+01 H1 4844 1.008000 0.423800 -6.5011E-01 1.0799E+01 -1.2377E+01 H2 4845 1.008000 0.423800 -1.7970E+00 1.1202E+01 -1.1286E+01 O6 4846 15.999400 -0.847600 -1.9246E+00 1.6615E+01 -1.8957E+01 H1 4847 1.008000 0.423800 -2.4886E+00 1.5821E+01 -1.8730E+01 H2 4848 1.008000 0.423800 -2.4402E+00 1.7230E+01 1.9544E+01 O6 4849 15.999400 -0.847600 7.3515E+00 -1.4201E+01 -6.6318E+00 H1 4850 1.008000 0.423800 6.7363E+00 -1.4935E+01 -6.9188E+00 H2 4851 1.008000 0.423800 7.1753E+00 -1.3974E+01 -5.6740E+00 O6 4852 15.999400 -0.847600 -1.0027E+01 -1.4969E+01 1.1736E+01 H1 4853 1.008000 0.423800 -1.1026E+01 -1.5005E+01 1.1766E+01 H2 4854 1.008000 0.423800 -9.7379E+00 -1.4291E+01 1.1061E+01 O6 4855 15.999400 -0.847600 -1.7435E+01 6.4958E+00 -5.2431E+00 H1 4856 1.008000 0.423800 -1.7387E+01 7.1369E+00 -6.0092E+00 H2 4857 1.008000 0.423800 -1.6530E+01 6.4067E+00 -4.8263E+00 O6 4858 15.999400 -0.847600 9.7930E+00 -1.8301E+01 1.9469E+01 H1 4859 1.008000 0.423800 1.0178E+01 -1.8126E+01 -1.8723E+01 H2 4860 1.008000 0.423800 1.0245E+01 -1.7717E+01 1.8795E+01 O6 4861 15.999400 -0.847600 -1.9077E+01 -8.9904E+00 5.8171E+00 H1 4862 1.008000 0.423800 -1.8459E+01 -8.8487E+00 5.0438E+00 H2 4863 1.008000 0.423800 1.9370E+01 -9.7171E+00 5.5952E+00 O6 4864 15.999400 -0.847600 1.7464E+01 -3.4757E+00 -4.4582E+00 H1 4865 1.008000 0.423800 1.7811E+01 -4.3262E+00 -4.8539E+00 H2 4866 1.008000 0.423800 1.7206E+01 -2.8476E+00 -5.1921E+00 O6 4867 15.999400 -0.847600 9.3780E+00 -1.2046E+01 3.0397E+00 H1 4868 1.008000 0.423800 1.0117E+01 -1.1863E+01 3.6884E+00 H2 4869 1.008000 0.423800 9.6907E+00 -1.2703E+01 2.3545E+00 O6 4870 15.999400 -0.847600 -1.4007E+01 -1.0954E+01 1.4380E+01 H1 4871 1.008000 0.423800 -1.4468E+01 -1.0390E+01 1.5065E+01 H2 4872 1.008000 0.423800 -1.3225E+01 -1.1416E+01 1.4800E+01 O6 4873 15.999400 -0.847600 -1.8998E+01 -1.8581E+01 8.3296E+00 H1 4874 1.008000 0.423800 1.9457E+01 -1.8145E+01 8.9602E+00 H2 4875 1.008000 0.423800 -1.8426E+01 -1.9229E+01 8.8320E+00 O6 4876 15.999400 -0.847600 -3.6564E+00 -1.6909E+01 -1.6854E+01 H1 4877 1.008000 0.423800 -2.6733E+00 -1.7090E+01 -1.6823E+01 H2 4878 1.008000 0.423800 -3.9190E+00 -1.6354E+01 -1.6065E+01 O6 4879 15.999400 -0.847600 -1.9035E+01 -1.0831E+00 -1.6273E+01 H1 4880 1.008000 0.423800 -1.8235E+01 -1.5218E+00 -1.6683E+01 H2 4881 1.008000 0.423800 -1.8900E+01 -1.0001E+00 -1.5286E+01 O6 4882 15.999400 -0.847600 1.1276E+01 8.8576E+00 -2.1536E-01 H1 4883 1.008000 0.423800 1.0589E+01 9.0807E+00 -9.0734E-01 H2 4884 1.008000 0.423800 1.0831E+01 8.4227E+00 5.6753E-01 O6 4885 15.999400 -0.847600 -8.8644E+00 -1.1700E+01 1.8269E+01 H1 4886 1.008000 0.423800 -8.4855E+00 -1.1476E+01 1.9167E+01 H2 4887 1.008000 0.423800 -9.3565E+00 -1.2569E+01 1.8323E+01 O6 4888 15.999400 -0.847600 1.3338E+01 -1.2502E+01 -5.6802E+00 H1 4889 1.008000 0.423800 1.3005E+01 -1.2159E+01 -4.8020E+00 H2 4890 1.008000 0.423800 1.2891E+01 -1.2004E+01 -6.4236E+00 O6 4891 15.999400 -0.847600 -8.6359E+00 -3.1500E+00 -3.2815E+00 H1 4892 1.008000 0.423800 -9.5215E+00 -3.0387E+00 -3.7323E+00 H2 4893 1.008000 0.423800 -8.2103E+00 -4.0013E+00 -3.5884E+00 O6 4894 15.999400 -0.847600 9.6784E+00 -2.9805E+00 -1.3466E+01 H1 4895 1.008000 0.423800 9.6727E+00 -2.0806E+00 -1.3902E+01 H2 4896 1.008000 0.423800 1.0340E+01 -2.9834E+00 -1.2717E+01 O6 4897 15.999400 -0.847600 -1.4093E+01 1.4663E+01 -5.8813E+00 H1 4898 1.008000 0.423800 -1.3495E+01 1.4053E+01 -5.3622E+00 H2 4899 1.008000 0.423800 -1.4808E+01 1.5020E+01 -5.2799E+00 O6 4900 15.999400 -0.847600 -1.2296E+01 1.7812E+01 1.8732E+01 H1 4901 1.008000 0.423800 -1.1691E+01 1.7017E+01 1.8766E+01 H2 4902 1.008000 0.423800 -1.3172E+01 1.7547E+01 1.8329E+01 O6 4903 15.999400 -0.847600 5.9544E+00 -1.5755E+01 1.9165E+01 H1 4904 1.008000 0.423800 5.7516E+00 -1.5785E+01 1.8187E+01 H2 4905 1.008000 0.423800 6.0592E+00 -1.6688E+01 1.9512E+01 O6 4906 15.999400 -0.847600 -4.5642E+00 -1.4414E+01 -3.7671E+00 H1 4907 1.008000 0.423800 -4.9113E+00 -1.3504E+01 -3.9957E+00 H2 4908 1.008000 0.423800 -4.6152E+00 -1.5003E+01 -4.5738E+00 O6 4909 15.999400 -0.847600 -1.1892E+00 -4.8410E+00 -1.5862E+01 H1 4910 1.008000 0.423800 -1.8407E+00 -5.2432E+00 -1.5219E+01 H2 4911 1.008000 0.423800 -1.6860E+00 -4.3316E+00 -1.6565E+01 O6 4912 15.999400 -0.847600 1.8667E+01 -1.2933E+01 9.0134E+00 H1 4913 1.008000 0.423800 1.7965E+01 -1.2385E+01 8.5592E+00 H2 4914 1.008000 0.423800 -1.9533E+01 -1.2699E+01 8.6408E+00 O6 4915 15.999400 -0.847600 7.1317E-01 5.8566E+00 -8.7122E+00 H1 4916 1.008000 0.423800 1.4458E-01 6.6170E+00 -9.0259E+00 H2 4917 1.008000 0.423800 2.5763E-01 5.3907E+00 -7.9536E+00 O6 4918 15.999400 -0.847600 -2.6766E-01 -1.0282E+01 -1.2391E+01 H1 4919 1.008000 0.423800 5.4244E-01 -1.0851E+01 -1.2249E+01 H2 4920 1.008000 0.423800 1.3375E-02 -9.3726E+00 -1.2696E+01 O6 4921 15.999400 -0.847600 1.7821E+01 -1.5368E+01 8.2928E+00 H1 4922 1.008000 0.423800 1.8072E+01 -1.6083E+01 8.9451E+00 H2 4923 1.008000 0.423800 1.8231E+01 -1.4501E+01 8.5751E+00 O6 4924 15.999400 -0.847600 1.4672E+01 -1.2228E+01 4.9112E+00 H1 4925 1.008000 0.423800 1.4285E+01 -1.1361E+01 5.2250E+00 H2 4926 1.008000 0.423800 1.5189E+01 -1.2651E+01 5.6556E+00 O6 4927 15.999400 -0.847600 -1.0818E+01 -4.2161E+00 1.5079E+01 H1 4928 1.008000 0.423800 -1.0404E+01 -4.7823E+00 1.5792E+01 H2 4929 1.008000 0.423800 -1.1760E+01 -3.9969E+00 1.5332E+01 O6 4930 15.999400 -0.847600 5.2056E+00 3.6188E+00 1.2709E+01 H1 4931 1.008000 0.423800 5.1893E+00 2.6282E+00 1.2845E+01 H2 4932 1.008000 0.423800 5.6294E+00 4.0574E+00 1.3501E+01 O6 4933 15.999400 -0.847600 -1.2146E+01 -1.5242E+01 2.7100E-01 H1 4934 1.008000 0.423800 -1.3044E+01 -1.4849E+01 7.2755E-02 H2 4935 1.008000 0.423800 -1.1433E+01 -1.4587E+01 2.2283E-02 O6 4936 15.999400 -0.847600 -7.7003E+00 -1.3410E+01 1.2965E+01 H1 4937 1.008000 0.423800 -8.0473E+00 -1.4137E+01 1.2373E+01 H2 4938 1.008000 0.423800 -7.5718E+00 -1.2576E+01 1.2430E+01 O6 4939 15.999400 -0.847600 1.1058E+01 1.0870E+01 1.9130E+01 H1 4940 1.008000 0.423800 1.0683E+01 1.1241E+01 -1.9118E+01 H2 4941 1.008000 0.423800 1.0794E+01 9.9093E+00 1.9042E+01 O6 4942 15.999400 -0.847600 6.1196E+00 -9.4584E+00 1.1592E+01 H1 4943 1.008000 0.423800 5.4017E+00 -1.0040E+01 1.1975E+01 H2 4944 1.008000 0.423800 6.7242E+00 -1.0009E+01 1.1017E+01 O6 4945 15.999400 -0.847600 1.0543E+01 -1.4452E+01 1.1077E+01 H1 4946 1.008000 0.423800 1.1404E+01 -1.4144E+01 1.1480E+01 H2 4947 1.008000 0.423800 1.0221E+01 -1.3772E+01 1.0418E+01 O6 4948 15.999400 -0.847600 -4.4795E+00 2.1015E-01 1.2336E+01 H1 4949 1.008000 0.423800 -4.5856E+00 3.3442E-01 1.3323E+01 H2 4950 1.008000 0.423800 -3.5319E+00 -3.4473E-02 1.2131E+01 O6 4951 15.999400 -0.847600 1.2677E+01 -1.0878E+01 -1.6070E+01 H1 4952 1.008000 0.423800 1.2584E+01 -1.0495E+01 -1.5151E+01 H2 4953 1.008000 0.423800 1.3559E+01 -1.0608E+01 -1.6457E+01 O6 4954 15.999400 -0.847600 -7.2078E+00 -5.9629E+00 3.2159E-01 H1 4955 1.008000 0.423800 -8.1068E+00 -6.2830E+00 6.2066E-01 H2 4956 1.008000 0.423800 -6.5287E+00 -6.1715E+00 1.0253E+00 O6 4957 15.999400 -0.847600 1.7205E+01 1.7525E+01 1.1830E+01 H1 4958 1.008000 0.423800 1.6732E+01 1.7614E+01 1.0954E+01 H2 4959 1.008000 0.423800 1.7154E+01 1.6576E+01 1.2142E+01 O6 4960 15.999400 -0.847600 5.9826E+00 2.4293E+00 8.1139E+00 H1 4961 1.008000 0.423800 5.2770E+00 3.1192E+00 7.9525E+00 H2 4962 1.008000 0.423800 6.4451E+00 2.6217E+00 8.9794E+00 O6 4963 15.999400 -0.847600 2.6203E+00 -1.7817E+01 3.9277E+00 H1 4964 1.008000 0.423800 2.9495E+00 -1.8753E+01 3.8099E+00 H2 4965 1.008000 0.423800 1.7322E+00 -1.7831E+01 4.3871E+00 O6 4966 15.999400 -0.847600 2.3440E+00 -1.2290E+01 -6.6765E+00 H1 4967 1.008000 0.423800 1.8921E+00 -1.3181E+01 -6.7317E+00 H2 4968 1.008000 0.423800 3.0169E+00 -1.2212E+01 -7.4120E+00 O6 4969 15.999400 -0.847600 1.0599E+01 -1.7200E+01 -1.7237E+01 H1 4970 1.008000 0.423800 1.1151E+01 -1.7638E+01 -1.6527E+01 H2 4971 1.008000 0.423800 9.6331E+00 -1.7410E+01 -1.7084E+01 O6 4972 15.999400 -0.847600 1.4863E+01 -1.7585E+01 -5.1873E+00 H1 4973 1.008000 0.423800 1.4912E+01 -1.6797E+01 -4.5730E+00 H2 4974 1.008000 0.423800 1.4711E+01 -1.8416E+01 -4.6523E+00 O6 4975 15.999400 -0.847600 -7.1859E+00 -3.9637E+00 -9.8913E+00 H1 4976 1.008000 0.423800 -6.2240E+00 -3.7351E+00 -1.0042E+01 H2 4977 1.008000 0.423800 -7.4585E+00 -4.6895E+00 -1.0523E+01 O6 4978 15.999400 -0.847600 -8.1757E+00 -5.3535E+00 -1.2138E+01 H1 4979 1.008000 0.423800 -8.2607E+00 -6.3316E+00 -1.1948E+01 H2 4980 1.008000 0.423800 -7.6765E+00 -5.2223E+00 -1.2995E+01 O6 4981 15.999400 -0.847600 -1.2651E+01 6.4196E+00 1.7868E+01 H1 4982 1.008000 0.423800 -1.2937E+01 5.6270E+00 1.7330E+01 H2 4983 1.008000 0.423800 -1.1659E+01 6.5309E+00 1.7797E+01 O6 4984 15.999400 -0.847600 1.2437E+01 -1.1773E-01 1.4499E+01 H1 4985 1.008000 0.423800 1.2883E+01 3.1001E-01 1.5286E+01 H2 4986 1.008000 0.423800 1.1856E+01 5.5391E-01 1.4040E+01 O6 4987 15.999400 -0.847600 -6.8780E-01 7.2841E+00 -4.6905E+00 H1 4988 1.008000 0.423800 -4.3276E-01 7.8604E+00 -3.9141E+00 H2 4989 1.008000 0.423800 -3.4214E-02 7.4198E+00 -5.4351E+00 O6 4990 15.999400 -0.847600 -3.8140E+00 -1.1621E+01 -2.2267E+00 H1 4991 1.008000 0.423800 -4.1016E+00 -1.2486E+01 -1.8154E+00 H2 4992 1.008000 0.423800 -4.6194E+00 -1.1064E+01 -2.4289E+00 O6 4993 15.999400 -0.847600 -6.9413E+00 -2.9956E+00 1.2676E+01 H1 4994 1.008000 0.423800 -6.6325E+00 -2.7077E+00 1.1769E+01 H2 4995 1.008000 0.423800 -7.9110E+00 -3.2367E+00 1.2636E+01 O6 4996 15.999400 -0.847600 -8.6270E+00 -4.2888E+00 4.8536E+00 H1 4997 1.008000 0.423800 -8.1545E+00 -4.2878E+00 5.7350E+00 H2 4998 1.008000 0.423800 -9.2929E+00 -5.0345E+00 4.8333E+00 O6 4999 15.999400 -0.847600 -7.5176E+00 1.6422E+01 -1.2240E+01 H1 5000 1.008000 0.423800 -7.4947E+00 1.7332E+01 -1.1825E+01 H2 5001 1.008000 0.423800 -7.8160E+00 1.6498E+01 -1.3191E+01 O6 5002 15.999400 -0.847600 -8.1285E-02 1.6828E+01 1.3215E+01 H1 5003 1.008000 0.423800 -3.2526E-01 1.6539E+01 1.2289E+01 H2 5004 1.008000 0.423800 -6.5564E-02 1.7827E+01 1.3259E+01 O6 5005 15.999400 -0.847600 -1.7792E+01 -1.2836E+01 1.2346E+00 H1 5006 1.008000 0.423800 -1.7685E+01 -1.2346E+01 3.6920E-01 H2 5007 1.008000 0.423800 -1.8536E+01 -1.2423E+01 1.7612E+00 O6 5008 15.999400 -0.847600 6.3286E+00 -1.4986E+01 3.2624E+00 H1 5009 1.008000 0.423800 5.7255E+00 -1.4363E+01 2.7636E+00 H2 5010 1.008000 0.423800 6.9231E+00 -1.4459E+01 3.8696E+00 O6 5011 15.999400 -0.847600 -1.8993E+01 1.2265E+01 -1.0050E+01 H1 5012 1.008000 0.423800 1.9476E+01 1.1509E+01 -1.0234E+01 H2 5013 1.008000 0.423800 -1.8141E+01 1.1905E+01 -9.6707E+00 O6 5014 15.999400 -0.847600 -1.5783E+01 9.6259E+00 -1.5768E+01 H1 5015 1.008000 0.423800 -1.6147E+01 9.6188E+00 -1.4836E+01 H2 5016 1.008000 0.423800 -1.4997E+01 1.0243E+01 -1.5814E+01 O6 5017 15.999400 -0.847600 9.5005E+00 -5.4007E+00 -3.3177E+00 H1 5018 1.008000 0.423800 8.8284E+00 -5.0798E+00 -3.9850E+00 H2 5019 1.008000 0.423800 9.2506E+00 -5.0703E+00 -2.4076E+00 O6 5020 15.999400 -0.847600 -6.9681E+00 -1.0451E+00 1.4668E+01 H1 5021 1.008000 0.423800 -7.1356E+00 -1.7635E+00 1.3992E+01 H2 5022 1.008000 0.423800 -7.4858E+00 -2.2655E-01 1.4419E+01 O6 5023 15.999400 -0.847600 1.3827E+01 -1.4691E+01 -1.1851E+01 H1 5024 1.008000 0.423800 1.3631E+01 -1.5129E+01 -1.0974E+01 H2 5025 1.008000 0.423800 1.4709E+01 -1.5014E+01 -1.2195E+01 O6 5026 15.999400 -0.847600 7.1385E+00 -9.8506E+00 -1.6077E+01 H1 5027 1.008000 0.423800 6.6385E+00 -1.0241E+01 -1.5304E+01 H2 5028 1.008000 0.423800 7.7700E+00 -9.1497E+00 -1.5746E+01 O6 5029 15.999400 -0.847600 -6.7021E+00 -3.9897E+00 3.0114E+00 H1 5030 1.008000 0.423800 -7.3631E+00 -3.9223E+00 3.7588E+00 H2 5031 1.008000 0.423800 -6.3388E+00 -4.9205E+00 2.9707E+00 O6 5032 15.999400 -0.847600 1.9478E+01 1.3766E+01 9.5403E+00 H1 5033 1.008000 0.423800 -1.9405E+01 1.4581E+01 9.0017E+00 H2 5034 1.008000 0.423800 1.8534E+01 1.3822E+01 9.8663E+00 O6 5035 15.999400 -0.847600 6.0860E+00 -7.5668E+00 -6.6790E-01 H1 5036 1.008000 0.423800 5.6517E+00 -6.6848E+00 -8.5041E-01 H2 5037 1.008000 0.423800 6.8018E+00 -7.7325E+00 -1.3463E+00 O6 5038 15.999400 -0.847600 1.2495E+01 1.8176E+01 4.1356E+00 H1 5039 1.008000 0.423800 1.2811E+01 1.7410E+01 3.5761E+00 H2 5040 1.008000 0.423800 1.2207E+01 1.8926E+01 3.5408E+00 O6 5041 15.999400 -0.847600 -5.5832E+00 8.2176E+00 -6.0330E+00 H1 5042 1.008000 0.423800 -5.7806E+00 9.1371E+00 -5.6929E+00 H2 5043 1.008000 0.423800 -4.6721E+00 7.9386E+00 -5.7296E+00 O6 5044 15.999400 -0.847600 1.1443E+01 1.4376E+01 7.8482E+00 H1 5045 1.008000 0.423800 1.1385E+01 1.5141E+01 7.2064E+00 H2 5046 1.008000 0.423800 1.0805E+01 1.3659E+01 7.5704E+00 O6 5047 15.999400 -0.847600 1.2087E+01 -1.0303E+01 -1.3202E+01 H1 5048 1.008000 0.423800 1.1249E+01 -9.7989E+00 -1.2993E+01 H2 5049 1.008000 0.423800 1.1916E+01 -1.1284E+01 -1.3116E+01 O6 5050 15.999400 -0.847600 -4.6597E+00 -5.4593E-01 1.7671E+01 H1 5051 1.008000 0.423800 -4.3689E+00 -1.0966E+00 1.6888E+01 H2 5052 1.008000 0.423800 -4.1705E+00 3.2618E-01 1.7665E+01 O6 5053 15.999400 -0.847600 -5.1580E+00 -6.8069E+00 7.6275E+00 H1 5054 1.008000 0.423800 -5.5656E+00 -6.0407E+00 7.1308E+00 H2 5055 1.008000 0.423800 -4.5921E+00 -7.3455E+00 7.0032E+00 O6 5056 15.999400 -0.847600 -1.8531E+01 8.6058E+00 -6.8428E+00 H1 5057 1.008000 0.423800 -1.9504E+01 8.6929E+00 -6.6284E+00 H2 5058 1.008000 0.423800 -1.8076E+01 9.4833E+00 -6.6904E+00 O6 5059 15.999400 -0.847600 7.6304E+00 1.4882E+01 -2.2246E+00 H1 5060 1.008000 0.423800 7.1308E+00 1.5433E+01 -1.5555E+00 H2 5061 1.008000 0.423800 8.6077E+00 1.5083E+01 -2.1579E+00 O6 5062 15.999400 -0.847600 5.2944E+00 -1.6012E+01 1.6640E+01 H1 5063 1.008000 0.423800 5.1274E+00 -1.6902E+01 1.6215E+01 H2 5064 1.008000 0.423800 6.1730E+00 -1.5652E+01 1.6326E+01 O6 5065 15.999400 -0.847600 4.3313E+00 1.6420E+01 4.8125E+00 H1 5066 1.008000 0.423800 4.2636E+00 1.6799E+01 5.7353E+00 H2 5067 1.008000 0.423800 3.4679E+00 1.5978E+01 4.5699E+00 O6 5068 15.999400 -0.847600 -1.2652E+01 1.4371E+01 7.9722E+00 H1 5069 1.008000 0.423800 -1.1900E+01 1.4312E+01 7.3153E+00 H2 5070 1.008000 0.423800 -1.2391E+01 1.4978E+01 8.7231E+00 O6 5071 15.999400 -0.847600 -1.8812E+01 9.6889E+00 7.0176E+00 H1 5072 1.008000 0.423800 -1.8853E+01 9.2583E+00 7.9193E+00 H2 5073 1.008000 0.423800 -1.8180E+01 9.1803E+00 6.4333E+00 O6 5074 15.999400 -0.847600 1.6787E+01 -1.4467E+01 1.4068E+01 H1 5075 1.008000 0.423800 1.7346E+01 -1.3647E+01 1.3939E+01 H2 5076 1.008000 0.423800 1.7231E+01 -1.5072E+01 1.4728E+01 O6 5077 15.999400 -0.847600 1.4250E+01 -1.4065E+01 1.5304E+01 H1 5078 1.008000 0.423800 1.3999E+01 -1.3347E+01 1.4654E+01 H2 5079 1.008000 0.423800 1.5219E+01 -1.4286E+01 1.5198E+01 O6 5080 15.999400 -0.847600 -7.7012E+00 -1.1334E+01 1.1234E+01 H1 5081 1.008000 0.423800 -8.6344E+00 -1.1036E+01 1.1435E+01 H2 5082 1.008000 0.423800 -7.0846E+00 -1.0548E+01 1.1274E+01 O6 5083 15.999400 -0.847600 -1.1468E+01 1.5835E+00 -1.6939E+01 H1 5084 1.008000 0.423800 -1.0564E+01 1.6865E+00 -1.6525E+01 H2 5085 1.008000 0.423800 -1.1910E+01 7.6295E-01 -1.6576E+01 O6 5086 15.999400 -0.847600 -1.8365E+01 -1.3191E+01 -1.8469E+01 H1 5087 1.008000 0.423800 -1.9242E+01 -1.3643E+01 -1.8302E+01 H2 5088 1.008000 0.423800 -1.7831E+01 -1.3179E+01 -1.7624E+01 O6 5089 15.999400 -0.847600 -1.3407E+01 -1.0545E+01 -1.5828E+01 H1 5090 1.008000 0.423800 -1.2641E+01 -1.1037E+01 -1.6242E+01 H2 5091 1.008000 0.423800 -1.3253E+01 -9.5603E+00 -1.5907E+01 O6 5092 15.999400 -0.847600 -1.6678E+01 -1.5898E+01 1.4444E+01 H1 5093 1.008000 0.423800 -1.6564E+01 -1.5480E+01 1.3542E+01 H2 5094 1.008000 0.423800 -1.5899E+01 -1.6495E+01 1.4636E+01 O6 5095 15.999400 -0.847600 2.6026E+00 -4.6272E+00 -1.7543E+01 H1 5096 1.008000 0.423800 3.0939E+00 -5.0622E+00 -1.6788E+01 H2 5097 1.008000 0.423800 1.8524E+00 -5.2193E+00 -1.7837E+01 O6 5098 15.999400 -0.847600 9.2788E+00 1.8968E+01 -8.0334E+00 H1 5099 1.008000 0.423800 8.6686E+00 1.9325E+01 -8.7407E+00 H2 5100 1.008000 0.423800 8.7712E+00 1.8345E+01 -7.4389E+00 O6 5101 15.999400 -0.847600 1.1079E+01 -2.8159E+00 -1.1110E+01 H1 5102 1.008000 0.423800 1.1941E+01 -3.1999E+00 -1.0777E+01 H2 5103 1.008000 0.423800 1.0763E+01 -2.1097E+00 -1.0476E+01 O6 5104 15.999400 -0.847600 8.0216E+00 -1.6100E+01 -1.4000E+01 H1 5105 1.008000 0.423800 7.4190E+00 -1.6848E+01 -1.3721E+01 H2 5106 1.008000 0.423800 8.8933E+00 -1.6176E+01 -1.3516E+01 O6 5107 15.999400 -0.847600 -1.7390E+00 4.4834E+00 -1.9148E+01 H1 5108 1.008000 0.423800 -1.4744E+00 4.4870E+00 -1.8183E+01 H2 5109 1.008000 0.423800 -2.1555E+00 3.6033E+00 -1.9376E+01 O6 5110 15.999400 -0.847600 -8.1522E+00 9.0188E+00 -3.4332E+00 H1 5111 1.008000 0.423800 -7.8458E+00 8.8928E+00 -2.4897E+00 H2 5112 1.008000 0.423800 -8.4431E+00 8.1391E+00 -3.8095E+00 O6 5113 15.999400 -0.847600 8.7174E+00 1.3418E+01 -8.4573E+00 H1 5114 1.008000 0.423800 9.2747E+00 1.4077E+01 -7.9514E+00 H2 5115 1.008000 0.423800 9.1244E+00 1.2508E+01 -8.3797E+00 O6 5116 15.999400 -0.847600 1.0646E+01 1.6669E+01 2.2315E+00 H1 5117 1.008000 0.423800 1.1216E+01 1.6435E+01 1.4444E+00 H2 5118 1.008000 0.423800 9.7573E+00 1.7000E+01 1.9126E+00 O6 5119 15.999400 -0.847600 1.1910E+00 -7.7261E+00 -8.5061E+00 H1 5120 1.008000 0.423800 1.9320E+00 -7.7565E+00 -9.1770E+00 H2 5121 1.008000 0.423800 1.5539E+00 -7.4320E+00 -7.6219E+00 O6 5122 15.999400 -0.847600 -2.5550E+00 1.1749E+01 -5.1021E+00 H1 5123 1.008000 0.423800 -2.0033E+00 1.2538E+01 -4.8310E+00 H2 5124 1.008000 0.423800 -3.3899E+00 1.1722E+01 -4.5523E+00 O6 5125 15.999400 -0.847600 -4.9002E+00 -5.3720E+00 4.9743E+00 H1 5126 1.008000 0.423800 -5.2581E+00 -5.9195E+00 4.2179E+00 H2 5127 1.008000 0.423800 -3.9702E+00 -5.0740E+00 4.7591E+00 O6 5128 15.999400 -0.847600 -3.6549E+00 7.7018E+00 -1.5392E+00 H1 5129 1.008000 0.423800 -3.4667E+00 8.0223E+00 -2.4676E+00 H2 5130 1.008000 0.423800 -4.2817E+00 6.9235E+00 -1.5760E+00 O6 5131 15.999400 -0.847600 -2.7309E+00 1.3343E+01 1.6797E+01 H1 5132 1.008000 0.423800 -1.8319E+00 1.3185E+01 1.6389E+01 H2 5133 1.008000 0.423800 -2.6448E+00 1.3364E+01 1.7793E+01 O6 5134 15.999400 -0.847600 -1.7012E+01 -1.7758E+01 1.8817E+01 H1 5135 1.008000 0.423800 -1.6341E+01 -1.7201E+01 1.8329E+01 H2 5136 1.008000 0.423800 -1.6582E+01 -1.8173E+01 -1.9478E+01 O6 5137 15.999400 -0.847600 9.9936E+00 1.1486E+01 -5.7586E+00 H1 5138 1.008000 0.423800 1.0207E+01 1.0711E+01 -5.1631E+00 H2 5139 1.008000 0.423800 9.9238E+00 1.2319E+01 -5.2098E+00 O6 5140 15.999400 -0.847600 1.6234E+00 -1.4070E+01 -1.4515E+01 H1 5141 1.008000 0.423800 2.1229E+00 -1.3825E+01 -1.3684E+01 H2 5142 1.008000 0.423800 2.2143E+00 -1.3936E+01 -1.5311E+01 O6 5143 15.999400 -0.847600 5.4142E+00 -7.5540E+00 -5.0869E+00 H1 5144 1.008000 0.423800 5.5973E+00 -8.3067E+00 -4.4545E+00 H2 5145 1.008000 0.423800 5.4835E+00 -6.6841E+00 -4.5985E+00 O6 5146 15.999400 -0.847600 -1.1586E+01 7.2985E+00 -1.7194E+01 H1 5147 1.008000 0.423800 -1.1816E+01 7.9935E+00 -1.7875E+01 H2 5148 1.008000 0.423800 -1.2361E+01 7.1687E+00 -1.6575E+01 O6 5149 15.999400 -0.847600 5.6709E+00 6.7481E+00 -1.7634E+01 H1 5150 1.008000 0.423800 4.8298E+00 7.1685E+00 -1.7974E+01 H2 5151 1.008000 0.423800 6.3969E+00 6.8582E+00 -1.8312E+01 O6 5152 15.999400 -0.847600 -1.7510E+01 7.4413E+00 3.6166E+00 H1 5153 1.008000 0.423800 -1.7366E+01 8.4310E+00 3.6091E+00 H2 5154 1.008000 0.423800 -1.6626E+01 6.9760E+00 3.5701E+00 O6 5155 15.999400 -0.847600 -8.8898E+00 -1.4036E+01 -8.8952E+00 H1 5156 1.008000 0.423800 -9.4677E+00 -1.4610E+01 -8.3152E+00 H2 5157 1.008000 0.423800 -8.1571E+00 -1.4591E+01 -9.2891E+00 O6 5158 15.999400 -0.847600 1.5325E+01 -1.0954E+00 -1.5325E+01 H1 5159 1.008000 0.423800 1.5269E+01 -8.9873E-01 -1.6304E+01 H2 5160 1.008000 0.423800 1.6043E+01 -1.7720E+00 -1.5162E+01 O6 5161 15.999400 -0.847600 7.9760E-01 9.3488E+00 1.3965E+01 H1 5162 1.008000 0.423800 1.0341E+00 8.7822E+00 1.4754E+01 H2 5163 1.008000 0.423800 8.9515E-01 8.8109E+00 1.3128E+01 O6 5164 15.999400 -0.847600 -5.3783E-01 -5.6382E+00 1.8282E+01 H1 5165 1.008000 0.423800 -2.4297E-01 -6.3209E+00 1.8951E+01 H2 5166 1.008000 0.423800 1.0589E-01 -4.8729E+00 1.8282E+01 O6 5167 15.999400 -0.847600 1.0746E+01 -3.0269E+00 4.2328E+00 H1 5168 1.008000 0.423800 1.0146E+01 -2.2277E+00 4.1892E+00 H2 5169 1.008000 0.423800 1.1535E+01 -2.8201E+00 4.8107E+00 O6 5170 15.999400 -0.847600 -1.7901E+01 -1.3764E+01 -1.5707E+01 H1 5171 1.008000 0.423800 -1.8401E+01 -1.3847E+01 -1.4845E+01 H2 5172 1.008000 0.423800 -1.7081E+01 -1.3209E+01 -1.5565E+01 O6 5173 15.999400 -0.847600 -7.9947E+00 1.6156E+01 -1.4917E+01 H1 5174 1.008000 0.423800 -7.0128E+00 1.6302E+01 -1.5037E+01 H2 5175 1.008000 0.423800 -8.2380E+00 1.5241E+01 -1.5239E+01 O6 5176 15.999400 -0.847600 -4.0467E+00 1.8435E+01 1.9031E+01 H1 5177 1.008000 0.423800 -4.1585E+00 1.8746E+01 -1.9123E+01 H2 5178 1.008000 0.423800 -4.3340E+00 1.9160E+01 1.8405E+01 O6 5179 15.999400 -0.847600 4.4587E+00 1.1926E+01 8.6864E-01 H1 5180 1.008000 0.423800 4.4349E+00 1.1548E+01 -5.6773E-02 H2 5181 1.008000 0.423800 4.8840E+00 1.1266E+01 1.4877E+00 O6 5182 15.999400 -0.847600 1.1343E+01 -9.2149E+00 3.9056E+00 H1 5183 1.008000 0.423800 1.0471E+01 -8.7489E+00 4.0531E+00 H2 5184 1.008000 0.423800 1.1263E+01 -1.0170E+01 4.1911E+00 O6 5185 15.999400 -0.847600 -1.5957E+01 1.9034E+01 -1.2535E+01 H1 5186 1.008000 0.423800 -1.5094E+01 1.9496E+01 -1.2332E+01 H2 5187 1.008000 0.423800 -1.6194E+01 1.8423E+01 -1.1780E+01 O6 5188 15.999400 -0.847600 1.5468E+01 5.6906E-01 4.2345E+00 H1 5189 1.008000 0.423800 1.5058E+01 3.2697E-01 3.3552E+00 H2 5190 1.008000 0.423800 1.5785E+01 -2.6055E-01 4.6940E+00 O6 5191 15.999400 -0.847600 4.6973E+00 -5.1743E+00 -6.8529E-01 H1 5192 1.008000 0.423800 3.9651E+00 -4.4944E+00 -7.2529E-01 H2 5193 1.008000 0.423800 4.6429E+00 -5.6722E+00 1.8022E-01 O6 5194 15.999400 -0.847600 1.2440E+01 3.4293E+00 1.1995E+01 H1 5195 1.008000 0.423800 1.2864E+01 3.5289E+00 1.1095E+01 H2 5196 1.008000 0.423800 1.3070E+01 3.7588E+00 1.2698E+01 O6 5197 15.999400 -0.847600 -1.0074E+01 4.0205E+00 -1.5537E+01 H1 5198 1.008000 0.423800 -1.0997E+01 4.3241E+00 -1.5299E+01 H2 5199 1.008000 0.423800 -9.9428E+00 3.0789E+00 -1.5227E+01 O6 5200 15.999400 -0.847600 1.6423E+01 -1.3330E+01 3.5393E-01 H1 5201 1.008000 0.423800 1.6632E+01 -1.4074E+01 -2.7985E-01 H2 5202 1.008000 0.423800 1.6622E+01 -1.3622E+01 1.2893E+00 O6 5203 15.999400 -0.847600 5.2275E+00 1.7433E+01 -1.6651E+01 H1 5204 1.008000 0.423800 5.0230E+00 1.8346E+01 -1.6298E+01 H2 5205 1.008000 0.423800 5.9776E+00 1.7032E+01 -1.6125E+01 O6 5206 15.999400 -0.847600 3.0459E+00 -1.2149E+01 6.0032E+00 H1 5207 1.008000 0.423800 2.1377E+00 -1.2386E+01 6.3483E+00 H2 5208 1.008000 0.423800 3.7418E+00 -1.2616E+01 6.5493E+00 O6 5209 15.999400 -0.847600 1.5828E+01 -7.6787E+00 1.3583E+00 H1 5210 1.008000 0.423800 1.5993E+01 -6.7679E+00 1.7363E+00 H2 5211 1.008000 0.423800 1.4919E+01 -7.9934E+00 1.6335E+00 O6 5212 15.999400 -0.847600 -1.1459E+01 6.6746E+00 1.2992E+01 H1 5213 1.008000 0.423800 -1.2284E+01 7.2220E+00 1.2852E+01 H2 5214 1.008000 0.423800 -1.0712E+01 7.2683E+00 1.3292E+01 O6 5215 15.999400 -0.847600 1.4094E+01 -1.0447E+01 1.0771E+01 H1 5216 1.008000 0.423800 1.3380E+01 -1.0068E+01 1.1360E+01 H2 5217 1.008000 0.423800 1.4991E+01 -1.0250E+01 1.1166E+01 O6 5218 15.999400 -0.847600 -1.6439E+00 5.0966E-01 1.5779E+01 H1 5219 1.008000 0.423800 -1.2978E+00 -1.6159E-01 1.5123E+01 H2 5220 1.008000 0.423800 -9.0454E-01 7.8929E-01 1.6391E+01 O6 5221 15.999400 -0.847600 -1.6515E+00 1.6569E+01 -6.0934E+00 H1 5222 1.008000 0.423800 -2.0856E+00 1.7416E+01 -6.4023E+00 H2 5223 1.008000 0.423800 -7.6719E-01 1.6781E+01 -5.6774E+00 O6 5224 15.999400 -0.847600 -1.6260E+01 -3.9107E+00 -2.0827E+00 H1 5225 1.008000 0.423800 -1.6946E+01 -3.1922E+00 -2.1978E+00 H2 5226 1.008000 0.423800 -1.5615E+01 -3.8810E+00 -2.8464E+00 O6 5227 15.999400 -0.847600 -1.1519E+01 1.8116E+01 -1.1798E+01 H1 5228 1.008000 0.423800 -1.1030E+01 1.8357E+01 -1.0959E+01 H2 5229 1.008000 0.423800 -1.0860E+01 1.7888E+01 -1.2514E+01 O6 5230 15.999400 -0.847600 6.8117E+00 -1.1378E+01 -1.2916E+01 H1 5231 1.008000 0.423800 6.1092E+00 -1.1350E+01 -1.2205E+01 H2 5232 1.008000 0.423800 6.6512E+00 -1.2165E+01 -1.3512E+01 O6 5233 15.999400 -0.847600 -6.5577E+00 -4.6919E+00 -1.4233E+01 H1 5234 1.008000 0.423800 -6.3054E+00 -5.6143E+00 -1.4526E+01 H2 5235 1.008000 0.423800 -5.7390E+00 -4.1190E+00 -1.4194E+01 O6 5236 15.999400 -0.847600 6.9423E+00 1.2209E+01 -2.8045E+00 H1 5237 1.008000 0.423800 6.6582E+00 1.3131E+01 -2.5415E+00 H2 5238 1.008000 0.423800 7.7286E+00 1.1933E+01 -2.2520E+00 O6 5239 15.999400 -0.847600 9.8712E+00 -3.7286E+00 1.3140E+01 H1 5240 1.008000 0.423800 1.0649E+01 -3.1505E+00 1.2894E+01 H2 5241 1.008000 0.423800 9.0546E+00 -3.1613E+00 1.3246E+01 O6 5242 15.999400 -0.847600 4.3098E+00 -6.6477E+00 1.7933E+01 H1 5243 1.008000 0.423800 3.8517E+00 -6.5715E+00 1.7048E+01 H2 5244 1.008000 0.423800 5.0923E+00 -7.2650E+00 1.7852E+01 O6 5245 15.999400 -0.847600 1.8551E+01 -1.0518E+01 -1.4884E+00 H1 5246 1.008000 0.423800 1.8566E+01 -9.5238E+00 -1.5943E+00 H2 5247 1.008000 0.423800 1.7832E+01 -1.0773E+01 -8.4112E-01 O6 5248 15.999400 -0.847600 -1.5093E+01 -1.1418E+01 7.7783E+00 H1 5249 1.008000 0.423800 -1.5936E+01 -1.1461E+01 7.2418E+00 H2 5250 1.008000 0.423800 -1.4305E+01 -1.1489E+01 7.1668E+00 O6 5251 15.999400 -0.847600 1.9210E+01 -2.8221E+00 1.8972E+00 H1 5252 1.008000 0.423800 1.8343E+01 -3.0703E+00 1.4651E+00 H2 5253 1.008000 0.423800 1.9049E+01 -2.5873E+00 2.8558E+00 O6 5254 15.999400 -0.847600 -1.5371E+00 1.3405E+01 1.2247E+01 H1 5255 1.008000 0.423800 -6.5007E-01 1.3041E+01 1.2532E+01 H2 5256 1.008000 0.423800 -1.4169E+00 1.3982E+01 1.1439E+01 O6 5257 15.999400 -0.847600 -1.4736E+01 1.6707E+01 1.7603E+01 H1 5258 1.008000 0.423800 -1.5322E+01 1.6173E+01 1.8213E+01 H2 5259 1.008000 0.423800 -1.5247E+01 1.6952E+01 1.6780E+01 O6 5260 15.999400 -0.847600 5.7900E+00 -2.1446E+00 7.6341E+00 H1 5261 1.008000 0.423800 5.0360E+00 -1.7077E+00 7.1435E+00 H2 5262 1.008000 0.423800 5.4950E+00 -2.3754E+00 8.5613E+00 O6 5263 15.999400 -0.847600 3.0829E+00 1.1848E+01 -1.2976E+01 H1 5264 1.008000 0.423800 3.1403E+00 1.2846E+01 -1.2957E+01 H2 5265 1.008000 0.423800 3.8172E+00 1.1483E+01 -1.3548E+01 O6 5266 15.999400 -0.847600 7.2694E+00 -4.4605E+00 -1.1333E+01 H1 5267 1.008000 0.423800 8.0798E+00 -4.9639E+00 -1.1033E+01 H2 5268 1.008000 0.423800 6.4503E+00 -4.8922E+00 -1.0955E+01 O6 5269 15.999400 -0.847600 4.3801E+00 -1.3473E+01 2.1615E+00 H1 5270 1.008000 0.423800 3.4410E+00 -1.3375E+01 2.4908E+00 H2 5271 1.008000 0.423800 4.5441E+00 -1.2821E+01 1.4220E+00 O6 5272 15.999400 -0.847600 3.2574E+00 -6.5592E+00 1.4775E+01 H1 5273 1.008000 0.423800 2.2881E+00 -6.7430E+00 1.4612E+01 H2 5274 1.008000 0.423800 3.6399E+00 -6.0676E+00 1.3993E+01 O6 5275 15.999400 -0.847600 -1.3026E+01 -1.7864E+01 -1.5411E+01 H1 5276 1.008000 0.423800 -1.3053E+01 -1.7187E+01 -1.4675E+01 H2 5277 1.008000 0.423800 -1.3920E+01 -1.7908E+01 -1.5856E+01 O6 5278 15.999400 -0.847600 -1.8207E+01 -3.4532E+00 1.1757E+01 H1 5279 1.008000 0.423800 -1.7242E+01 -3.6396E+00 1.1573E+01 H2 5280 1.008000 0.423800 -1.8300E+01 -3.0542E+00 1.2670E+01 O6 5281 15.999400 -0.847600 -1.7127E+01 -1.9240E+01 -1.7040E+01 H1 5282 1.008000 0.423800 -1.8012E+01 -1.8779E+01 -1.7105E+01 H2 5283 1.008000 0.423800 -1.7068E+01 1.9371E+01 -1.6168E+01 O6 5284 15.999400 -0.847600 -1.8970E+01 -1.6210E+00 1.0011E+01 H1 5285 1.008000 0.423800 -1.8736E+01 -2.2687E+00 1.0737E+01 H2 5286 1.008000 0.423800 1.9190E+01 -1.7867E+00 9.7061E+00 O6 5287 15.999400 -0.847600 6.1780E+00 -8.8309E+00 -1.8392E+01 H1 5288 1.008000 0.423800 6.5994E+00 -9.4027E+00 -1.7688E+01 H2 5289 1.008000 0.423800 6.5516E+00 -7.9050E+00 -1.8337E+01 O6 5290 15.999400 -0.847600 -1.6924E+00 -8.6713E+00 -1.5770E+01 H1 5291 1.008000 0.423800 -1.5828E+00 -8.7373E+00 -1.6762E+01 H2 5292 1.008000 0.423800 -2.6599E+00 -8.7634E+00 -1.5535E+01 O6 5293 15.999400 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-1.3856E+01 -1.3893E+01 H2 5310 1.008000 0.423800 -5.0467E+00 -1.2771E+01 -1.4114E+01 O6 5311 15.999400 -0.847600 -8.9223E+00 -1.4911E+01 -1.7901E+01 H1 5312 1.008000 0.423800 -8.4918E+00 -1.4052E+01 -1.7623E+01 H2 5313 1.008000 0.423800 -9.9143E+00 -1.4790E+01 -1.7937E+01 O6 5314 15.999400 -0.847600 5.6380E+00 -1.1551E+01 1.8958E+01 H1 5315 1.008000 0.423800 5.6362E+00 -1.1006E+01 -1.9300E+01 H2 5316 1.008000 0.423800 4.6958E+00 -1.1729E+01 1.8675E+01 O6 5317 15.999400 -0.847600 -1.4732E+01 6.6537E+00 -4.8916E+00 H1 5318 1.008000 0.423800 -1.4148E+01 6.0570E+00 -5.4426E+00 H2 5319 1.008000 0.423800 -1.4194E+01 7.0513E+00 -4.1481E+00 O6 5320 15.999400 -0.847600 -1.3317E+01 1.8762E+01 -6.2106E+00 H1 5321 1.008000 0.423800 -1.2863E+01 1.7976E+01 -6.6316E+00 H2 5322 1.008000 0.423800 -1.3432E+01 1.9485E+01 -6.8918E+00 O6 5323 15.999400 -0.847600 3.4557E-01 3.4699E+00 -1.2058E+00 H1 5324 1.008000 0.423800 1.1250E-01 4.0097E+00 -2.0147E+00 H2 5325 1.008000 0.423800 4.4206E-01 2.5085E+00 -1.4632E+00 O6 5326 15.999400 -0.847600 -1.1526E+01 -6.9080E+00 -9.7315E+00 H1 5327 1.008000 0.423800 -1.1436E+01 -6.2673E+00 -1.0494E+01 H2 5328 1.008000 0.423800 -1.1353E+01 -6.4285E+00 -8.8712E+00 O6 5329 15.999400 -0.847600 6.8294E+00 -1.2455E+01 7.0194E+00 H1 5330 1.008000 0.423800 6.1949E+00 -1.3213E+01 7.1733E+00 H2 5331 1.008000 0.423800 6.3853E+00 -1.1593E+01 7.2644E+00 O6 5332 15.999400 -0.847600 -4.7963E+00 1.0710E+01 4.4744E+00 H1 5333 1.008000 0.423800 -4.9367E+00 1.0087E+01 3.7052E+00 H2 5334 1.008000 0.423800 -5.4279E+00 1.0475E+01 5.2133E+00 O6 5335 15.999400 -0.847600 -1.9219E+01 -1.0176E+00 6.5882E+00 H1 5336 1.008000 0.423800 1.9043E+01 -4.9331E-01 6.7533E+00 H2 5337 1.008000 0.423800 -1.8422E+01 -4.3882E-01 6.7622E+00 O6 5338 15.999400 -0.847600 -1.5530E+01 -7.0863E-01 -8.9654E-01 H1 5339 1.008000 0.423800 -1.5895E+01 6.1749E-02 -3.7389E-01 H2 5340 1.008000 0.423800 -1.6279E+01 -1.1779E+00 -1.3654E+00 O6 5341 15.999400 -0.847600 -1.1059E+01 -1.1678E+01 -1.6601E+01 H1 5342 1.008000 0.423800 -1.1105E+01 -1.1911E+01 -1.7573E+01 H2 5343 1.008000 0.423800 -1.0596E+01 -1.2412E+01 -1.6105E+01 O6 5344 15.999400 -0.847600 1.8711E+01 -2.4726E+00 -1.1295E+01 H1 5345 1.008000 0.423800 -1.9545E+01 -2.5567E+00 -1.0761E+01 H2 5346 1.008000 0.423800 1.8881E+01 -2.7700E+00 -1.2234E+01 O6 5347 15.999400 -0.847600 1.6185E+01 8.4387E+00 1.8271E+01 H1 5348 1.008000 0.423800 1.6957E+01 7.8781E+00 1.7971E+01 H2 5349 1.008000 0.423800 1.6177E+01 8.4876E+00 1.9270E+01 O6 5350 15.999400 -0.847600 -1.4397E+01 -1.4412E+01 -6.8308E+00 H1 5351 1.008000 0.423800 -1.4091E+01 -1.3572E+01 -6.3829E+00 H2 5352 1.008000 0.423800 -1.4314E+01 -1.5179E+01 -6.1943E+00 O6 5353 15.999400 -0.847600 1.0959E+01 -1.3160E+01 6.5404E+00 H1 5354 1.008000 0.423800 1.0384E+01 -1.3937E+01 6.2832E+00 H2 5355 1.008000 0.423800 1.1781E+01 -1.3491E+01 7.0031E+00 O6 5356 15.999400 -0.847600 4.9630E+00 -1.6925E+01 4.7919E+00 H1 5357 1.008000 0.423800 5.4131E+00 -1.6301E+01 4.1527E+00 H2 5358 1.008000 0.423800 4.1617E+00 -1.7331E+01 4.3527E+00 O6 5359 15.999400 -0.847600 3.7497E+00 -1.9160E+01 1.1257E+01 H1 5360 1.008000 0.423800 3.7731E+00 -1.8347E+01 1.0675E+01 H2 5361 1.008000 0.423800 4.0836E+00 -1.8926E+01 1.2170E+01 O6 5362 15.999400 -0.847600 1.4445E+01 1.8891E+01 7.5969E+00 H1 5363 1.008000 0.423800 1.4440E+01 1.7905E+01 7.4299E+00 H2 5364 1.008000 0.423800 1.3713E+01 1.9322E+01 7.0692E+00 O6 5365 15.999400 -0.847600 -9.8952E+00 -1.3985E+01 -1.7086E-01 H1 5366 1.008000 0.423800 -9.1733E+00 -1.4419E+01 3.6781E-01 H2 5367 1.008000 0.423800 -9.7111E+00 -1.4119E+01 -1.1445E+00 O6 5368 15.999400 -0.847600 8.3779E+00 1.3796E+01 9.9638E-01 H1 5369 1.008000 0.423800 8.7594E+00 1.4710E+01 1.1332E+00 H2 5370 1.008000 0.423800 7.3794E+00 1.3850E+01 9.8811E-01 O6 5371 15.999400 -0.847600 -1.4411E+01 -3.6755E+00 -4.1347E+00 H1 5372 1.008000 0.423800 -1.3800E+01 -4.4674E+00 -4.1474E+00 H2 5373 1.008000 0.423800 -1.4432E+01 -3.2568E+00 -5.0426E+00 O6 5374 15.999400 -0.847600 1.5453E+01 -4.5391E+00 -1.6494E+01 H1 5375 1.008000 0.423800 1.5797E+01 -4.4154E+00 -1.7425E+01 H2 5376 1.008000 0.423800 1.6196E+01 -4.8552E+00 -1.5904E+01 O6 5377 15.999400 -0.847600 6.3256E-01 1.6698E+01 1.7827E+01 H1 5378 1.008000 0.423800 1.5066E+00 1.7161E+01 1.7975E+01 H2 5379 1.008000 0.423800 5.6797E-01 1.5906E+01 1.8434E+01 O6 5380 15.999400 -0.847600 5.8521E+00 1.1084E+01 1.3807E+01 H1 5381 1.008000 0.423800 5.5231E+00 1.0871E+01 1.2887E+01 H2 5382 1.008000 0.423800 6.0458E+00 1.0233E+01 1.4297E+01 O6 5383 15.999400 -0.847600 1.0869E+01 1.5021E+01 -1.4904E+01 H1 5384 1.008000 0.423800 1.0272E+01 1.4816E+01 -1.5680E+01 H2 5385 1.008000 0.423800 1.1635E+01 1.5585E+01 -1.5214E+01 O6 5386 15.999400 -0.847600 -1.8029E+01 -6.1920E+00 1.3376E+01 H1 5387 1.008000 0.423800 -1.8246E+01 -5.4778E+00 1.2711E+01 H2 5388 1.008000 0.423800 -1.8866E+01 -6.6788E+00 1.3627E+01 O6 5389 15.999400 -0.847600 -1.2750E+01 1.2518E+01 1.8130E+01 H1 5390 1.008000 0.423800 -1.3642E+01 1.2102E+01 1.7956E+01 H2 5391 1.008000 0.423800 -1.2848E+01 1.3244E+01 1.8811E+01 O6 5392 15.999400 -0.847600 -1.8098E+01 -2.4455E+00 -9.6834E+00 H1 5393 1.008000 0.423800 -1.8403E+01 -2.2885E+00 -8.7439E+00 H2 5394 1.008000 0.423800 -1.7189E+01 -2.0493E+00 -9.8098E+00 O6 5395 15.999400 -0.847600 -8.5892E-01 7.5831E+00 5.2142E+00 H1 5396 1.008000 0.423800 -1.5735E+00 7.2654E+00 4.5910E+00 H2 5397 1.008000 0.423800 -6.8030E-01 8.5531E+00 5.0497E+00 O6 5398 15.999400 -0.847600 1.2680E+01 -1.9519E+01 1.5614E+01 H1 5399 1.008000 0.423800 1.2983E+01 1.9062E+01 1.6414E+01 H2 5400 1.008000 0.423800 1.3252E+01 -1.8706E+01 1.5506E+01 O6 5401 15.999400 -0.847600 1.0671E+01 4.1421E+00 -3.2263E+00 H1 5402 1.008000 0.423800 1.1578E+01 3.9779E+00 -2.8397E+00 H2 5403 1.008000 0.423800 9.9823E+00 3.6774E+00 -2.6696E+00 O6 5404 15.999400 -0.847600 3.4556E+00 1.2586E+01 1.2475E+01 H1 5405 1.008000 0.423800 4.1864E+00 1.1933E+01 1.2276E+01 H2 5406 1.008000 0.423800 3.7943E+00 1.3283E+01 1.3108E+01 O6 5407 15.999400 -0.847600 1.8149E+00 -9.4281E+00 1.0872E+01 H1 5408 1.008000 0.423800 1.5810E+00 -8.4573E+00 1.0925E+01 H2 5409 1.008000 0.423800 9.8180E-01 -9.9647E+00 1.0738E+01 O6 5410 15.999400 -0.847600 1.7222E+01 2.6688E+00 -1.2097E+01 H1 5411 1.008000 0.423800 1.7201E+01 3.6526E+00 -1.2276E+01 H2 5412 1.008000 0.423800 1.7016E+01 2.1726E+00 -1.2941E+01 O6 5413 15.999400 -0.847600 5.0869E+00 1.8113E+01 7.2834E+00 H1 5414 1.008000 0.423800 5.9421E+00 1.8315E+01 6.8061E+00 H2 5415 1.008000 0.423800 4.5555E+00 1.8954E+01 7.3850E+00 O6 5416 15.999400 -0.847600 -9.6899E+00 6.2380E+00 2.6283E+00 H1 5417 1.008000 0.423800 -1.0297E+01 5.6772E+00 2.0651E+00 H2 5418 1.008000 0.423800 -9.3974E+00 7.0395E+00 2.1067E+00 O6 5419 15.999400 -0.847600 1.3102E+01 1.6081E+01 -1.5784E+01 H1 5420 1.008000 0.423800 1.3003E+01 1.5415E+01 -1.6524E+01 H2 5421 1.008000 0.423800 1.3854E+01 1.5805E+01 -1.5186E+01 O6 5422 15.999400 -0.847600 1.0399E+01 8.4882E+00 -9.5933E+00 H1 5423 1.008000 0.423800 1.0136E+01 9.2899E+00 -9.0562E+00 H2 5424 1.008000 0.423800 1.0081E+01 7.6597E+00 -9.1323E+00 O6 5425 15.999400 -0.847600 -3.7232E+00 -1.2436E+01 9.0327E+00 H1 5426 1.008000 0.423800 -3.4015E+00 -1.3009E+01 8.2785E+00 H2 5427 1.008000 0.423800 -3.9477E+00 -1.3014E+01 9.8174E+00 O6 5428 15.999400 -0.847600 -1.9144E+01 -1.3992E+01 -5.2859E+00 H1 5429 1.008000 0.423800 -1.8294E+01 -1.4008E+01 -5.8135E+00 H2 5430 1.008000 0.423800 1.9232E+01 -1.4453E+01 -5.8023E+00 O6 5431 15.999400 -0.847600 -1.5545E+01 -1.2801E+01 1.0067E+01 H1 5432 1.008000 0.423800 -1.4663E+01 -1.3000E+01 1.0495E+01 H2 5433 1.008000 0.423800 -1.5402E+01 -1.2219E+01 9.2665E+00 O6 5434 15.999400 -0.847600 -1.6728E+01 1.2833E+01 1.1205E+01 H1 5435 1.008000 0.423800 -1.7377E+01 1.2120E+01 1.1471E+01 H2 5436 1.008000 0.423800 -1.7015E+01 1.3708E+01 1.1594E+01 O6 5437 15.999400 -0.847600 2.0260E+00 -1.6418E+00 -1.4591E+01 H1 5438 1.008000 0.423800 2.8555E+00 -1.9135E+00 -1.5079E+01 H2 5439 1.008000 0.423800 2.2758E+00 -1.2011E+00 -1.3728E+01 O6 5440 15.999400 -0.847600 -1.4199E+01 9.1333E+00 9.0714E+00 H1 5441 1.008000 0.423800 -1.4402E+01 9.5173E+00 8.1707E+00 H2 5442 1.008000 0.423800 -1.3805E+01 8.2204E+00 8.9635E+00 O6 5443 15.999400 -0.847600 -8.4439E+00 8.6249E+00 -1.1428E+01 H1 5444 1.008000 0.423800 -7.5757E+00 9.1143E+00 -1.1346E+01 H2 5445 1.008000 0.423800 -8.7034E+00 8.5652E+00 -1.2392E+01 O6 5446 15.999400 -0.847600 5.2181E+00 -6.0246E+00 -1.0611E+01 H1 5447 1.008000 0.423800 5.0399E+00 -6.7168E+00 -9.9115E+00 H2 5448 1.008000 0.423800 4.6525E+00 -6.2096E+00 -1.1415E+01 O6 5449 15.999400 -0.847600 9.7369E+00 -3.1584E-01 1.5823E+01 H1 5450 1.008000 0.423800 9.5045E+00 -9.6662E-01 1.6546E+01 H2 5451 1.008000 0.423800 1.0530E+01 -6.5132E-01 1.5315E+01 O6 5452 15.999400 -0.847600 1.2609E+01 9.6836E+00 8.2877E+00 H1 5453 1.008000 0.423800 1.1743E+01 1.0162E+01 8.4353E+00 H2 5454 1.008000 0.423800 1.3368E+01 1.0322E+01 8.4138E+00 O6 5455 15.999400 -0.847600 4.0138E+00 1.0156E+01 5.1214E+00 H1 5456 1.008000 0.423800 3.5558E+00 9.6195E+00 4.4124E+00 H2 5457 1.008000 0.423800 3.4247E+00 1.0915E+01 5.3976E+00 O6 5458 15.999400 -0.847600 -9.4868E+00 -1.4554E+01 1.7955E+01 H1 5459 1.008000 0.423800 -8.6743E+00 -1.4378E+01 1.7399E+01 H2 5460 1.008000 0.423800 -9.2351E+00 -1.4552E+01 1.8922E+01 O6 5461 15.999400 -0.847600 -5.1544E+00 -7.4961E+00 -7.5379E+00 H1 5462 1.008000 0.423800 -5.9776E+00 -7.8495E+00 -7.9822E+00 H2 5463 1.008000 0.423800 -5.3760E+00 -7.2078E+00 -6.6064E+00 O6 5464 15.999400 -0.847600 -9.6361E+00 -1.1313E+01 -1.3615E-02 H1 5465 1.008000 0.423800 -9.2600E+00 -1.1134E+01 8.9555E-01 H2 5466 1.008000 0.423800 -9.7205E+00 -1.2300E+01 -1.5111E-01 O6 5467 15.999400 -0.847600 -3.5903E+00 -9.1305E+00 1.0637E+01 H1 5468 1.008000 0.423800 -4.4613E+00 -9.0899E+00 1.1126E+01 H2 5469 1.008000 0.423800 -3.3574E+00 -8.2201E+00 1.0295E+01 O6 5470 15.999400 -0.847600 1.6288E+01 1.8054E+00 8.9261E+00 H1 5471 1.008000 0.423800 1.5512E+01 1.4579E+00 9.4534E+00 H2 5472 1.008000 0.423800 1.6550E+01 2.7055E+00 9.2737E+00 O6 5473 15.999400 -0.847600 -3.3266E+00 -1.6973E+01 5.6425E+00 H1 5474 1.008000 0.423800 -3.5209E+00 -1.6851E+01 6.6157E+00 H2 5475 1.008000 0.423800 -3.6226E+00 -1.6162E+01 5.1386E+00 O6 5476 15.999400 -0.847600 -1.7113E+01 4.2952E-01 1.7273E+01 H1 5477 1.008000 0.423800 -1.7847E+01 3.4030E-01 1.7946E+01 H2 5478 1.008000 0.423800 -1.6806E+01 1.3807E+00 1.7238E+01 O6 5479 15.999400 -0.847600 -6.3560E+00 1.3820E+00 -1.4388E+01 H1 5480 1.008000 0.423800 -5.6628E+00 6.6578E-01 -1.4308E+01 H2 5481 1.008000 0.423800 -6.3522E+00 1.7465E+00 -1.5319E+01 O6 5482 15.999400 -0.847600 7.5616E+00 1.5076E+01 -5.0240E+00 H1 5483 1.008000 0.423800 7.5601E+00 1.5164E+01 -4.0278E+00 H2 5484 1.008000 0.423800 8.2151E+00 1.4370E+01 -5.2953E+00 O6 5485 15.999400 -0.847600 1.5635E+01 -2.0193E+00 -3.5293E+00 H1 5486 1.008000 0.423800 1.6157E+01 -2.8394E+00 -3.7624E+00 H2 5487 1.008000 0.423800 1.4737E+01 -2.0604E+00 -3.9675E+00 O6 5488 15.999400 -0.847600 6.7628E+00 1.6546E+01 1.4701E+01 H1 5489 1.008000 0.423800 7.3406E+00 1.6622E+01 1.3888E+01 H2 5490 1.008000 0.423800 7.0163E+00 1.7256E+01 1.5358E+01 O6 5491 15.999400 -0.847600 2.7650E+00 -4.1679E+00 -4.7582E+00 H1 5492 1.008000 0.423800 3.1327E+00 -3.5943E+00 -5.4902E+00 H2 5493 1.008000 0.423800 2.1138E+00 -3.6380E+00 -4.2149E+00 O6 5494 15.999400 -0.847600 -2.4393E+00 -1.1123E+01 -1.3841E+01 H1 5495 1.008000 0.423800 -3.1751E+00 -1.1665E+01 -1.3436E+01 H2 5496 1.008000 0.423800 -1.6448E+00 -1.1132E+01 -1.3233E+01 O6 5497 15.999400 -0.847600 -8.2206E+00 -6.9633E+00 -7.8945E+00 H1 5498 1.008000 0.423800 -9.0154E+00 -7.4473E+00 -7.5283E+00 H2 5499 1.008000 0.423800 -7.6164E+00 -7.6144E+00 -8.3538E+00 O6 5500 15.999400 -0.847600 1.0970E+01 1.4173E+01 1.4596E+01 H1 5501 1.008000 0.423800 1.0127E+01 1.4682E+01 1.4770E+01 H2 5502 1.008000 0.423800 1.1099E+01 1.3487E+01 1.5312E+01 O6 5503 15.999400 -0.847600 -7.5954E+00 1.1812E+01 1.3590E+01 H1 5504 1.008000 0.423800 -7.6434E+00 1.0838E+01 1.3813E+01 H2 5505 1.008000 0.423800 -8.5130E+00 1.2208E+01 1.3626E+01 O6 5506 15.999400 -0.847600 1.1591E+01 -1.6555E+01 9.6276E+00 H1 5507 1.008000 0.423800 1.2224E+01 -1.7106E+01 1.0171E+01 H2 5508 1.008000 0.423800 1.1106E+01 -1.5917E+01 1.0226E+01 O6 5509 15.999400 -0.847600 1.6808E+01 -1.4703E+01 5.1426E+00 H1 5510 1.008000 0.423800 1.6774E+01 -1.4090E+01 5.9316E+00 H2 5511 1.008000 0.423800 1.7476E+01 -1.5428E+01 5.3119E+00 O6 5512 15.999400 -0.847600 -8.3265E+00 -1.6971E+01 1.7048E+01 H1 5513 1.008000 0.423800 -8.2990E+00 -1.6075E+01 1.6605E+01 H2 5514 1.008000 0.423800 -7.9986E+00 -1.6887E+01 1.7989E+01 O6 5515 15.999400 -0.847600 1.3246E+01 -4.7039E+00 -5.6907E+00 H1 5516 1.008000 0.423800 1.3346E+01 -5.1284E+00 -6.5906E+00 H2 5517 1.008000 0.423800 1.3158E+01 -5.4161E+00 -4.9942E+00 O6 5518 15.999400 -0.847600 4.6182E-01 -7.8336E+00 -1.4267E+01 H1 5519 1.008000 0.423800 1.1078E+00 -7.8003E+00 -1.5030E+01 H2 5520 1.008000 0.423800 -4.2826E-01 -8.1473E+00 -1.4598E+01 O6 5521 15.999400 -0.847600 7.8574E+00 1.3438E+00 1.2917E+01 H1 5522 1.008000 0.423800 7.9318E+00 1.3682E+00 1.1920E+01 H2 5523 1.008000 0.423800 6.9138E+00 1.1372E+00 1.3176E+01 O6 5524 15.999400 -0.847600 -2.9205E+00 -1.5252E+01 -1.4427E+01 H1 5525 1.008000 0.423800 -2.0841E+00 -1.4744E+01 -1.4221E+01 H2 5526 1.008000 0.423800 -3.0289E+00 -1.5997E+01 -1.3769E+01 O6 5527 15.999400 -0.847600 -3.8669E+00 1.4652E+01 -1.7914E+01 H1 5528 1.008000 0.423800 -4.8252E+00 1.4463E+01 -1.8128E+01 H2 5529 1.008000 0.423800 -3.7991E+00 1.5017E+01 -1.6985E+01 O6 5530 15.999400 -0.847600 -1.2044E+01 -4.4173E+00 -1.4380E+01 H1 5531 1.008000 0.423800 -1.1739E+01 -3.7072E+00 -1.3745E+01 H2 5532 1.008000 0.423800 -1.2022E+01 -5.3058E+00 -1.3921E+01 O6 5533 15.999400 -0.847600 2.9545E+00 -6.6608E+00 1.1901E+00 H1 5534 1.008000 0.423800 2.3509E+00 -6.9436E+00 4.4462E-01 H2 5535 1.008000 0.423800 2.9279E+00 -7.3454E+00 1.9184E+00 O6 5536 15.999400 -0.847600 -9.1383E+00 1.3036E+01 -5.9379E+00 H1 5537 1.008000 0.423800 -8.9912E+00 1.2352E+01 -6.6525E+00 H2 5538 1.008000 0.423800 -9.1611E+00 1.2586E+01 -5.0454E+00 O6 5539 15.999400 -0.847600 2.0880E+00 2.8601E+00 -5.9714E+00 H1 5540 1.008000 0.423800 1.2339E+00 3.2964E+00 -6.2545E+00 H2 5541 1.008000 0.423800 2.0164E+00 2.5766E+00 -5.0151E+00 O6 5542 15.999400 -0.847600 1.4918E+01 -2.4911E+00 1.3118E+01 H1 5543 1.008000 0.423800 1.4534E+01 -3.0356E+00 1.2372E+01 H2 5544 1.008000 0.423800 1.4627E+01 -2.8745E+00 1.3995E+01 O6 5545 15.999400 -0.847600 -6.1630E+00 2.2576E+00 1.1101E+01 H1 5546 1.008000 0.423800 -5.7224E+00 1.6808E+00 1.1789E+01 H2 5547 1.008000 0.423800 -5.7076E+00 2.1319E+00 1.0219E+01 O6 5548 15.999400 -0.847600 1.3082E+01 -1.6795E+01 1.7526E+01 H1 5549 1.008000 0.423800 1.3348E+01 -1.5987E+01 1.7001E+01 H2 5550 1.008000 0.423800 1.2167E+01 -1.7087E+01 1.7249E+01 O6 5551 15.999400 -0.847600 9.1035E+00 1.7448E+01 1.6634E+01 H1 5552 1.008000 0.423800 9.1866E+00 1.7614E+01 1.7616E+01 H2 5553 1.008000 0.423800 9.3935E+00 1.8263E+01 1.6132E+01 O6 5554 15.999400 -0.847600 5.7534E+00 1.0367E+01 2.9232E+00 H1 5555 1.008000 0.423800 4.9506E+00 1.0622E+01 3.4625E+00 H2 5556 1.008000 0.423800 5.8282E+00 9.3708E+00 2.8867E+00 O6 5557 15.999400 -0.847600 -9.9589E+00 1.3224E+01 -9.2190E+00 H1 5558 1.008000 0.423800 -1.0817E+01 1.2744E+01 -9.0351E+00 H2 5559 1.008000 0.423800 -9.2664E+00 1.2566E+01 -9.5161E+00 O6 5560 15.999400 -0.847600 -1.1360E+00 1.4170E+01 -1.3610E+01 H1 5561 1.008000 0.423800 -1.1468E+00 1.3305E+01 -1.3108E+01 H2 5562 1.008000 0.423800 -8.1459E-01 1.4009E+01 -1.4543E+01 O6 5563 15.999400 -0.847600 -5.5432E+00 1.3961E+01 -1.2488E+00 H1 5564 1.008000 0.423800 -5.9766E+00 1.4690E+01 -1.7782E+00 H2 5565 1.008000 0.423800 -4.6575E+00 1.3736E+01 -1.6547E+00 O6 5566 15.999400 -0.847600 3.2850E+00 -1.2422E+01 -1.6629E+01 H1 5567 1.008000 0.423800 4.1470E+00 -1.2779E+01 -1.6990E+01 H2 5568 1.008000 0.423800 2.7956E+00 -1.1937E+01 -1.7354E+01 O6 5569 15.999400 -0.847600 1.3733E+01 3.5443E+00 9.7205E+00 H1 5570 1.008000 0.423800 1.4570E+01 4.0712E+00 9.8671E+00 H2 5571 1.008000 0.423800 1.3908E+01 2.5793E+00 9.9153E+00 O6 5572 15.999400 -0.847600 3.8633E+00 -9.4910E+00 -6.3492E-01 H1 5573 1.008000 0.423800 4.6573E+00 -8.8840E+00 -5.9886E-01 H2 5574 1.008000 0.423800 3.3621E+00 -9.3340E+00 -1.4858E+00 O6 5575 15.999400 -0.847600 -1.8156E+01 -1.7023E+01 -1.4534E+01 H1 5576 1.008000 0.423800 -1.8493E+01 -1.7191E+01 -1.5460E+01 H2 5577 1.008000 0.423800 -1.8506E+01 -1.6146E+01 -1.4205E+01 O6 5578 15.999400 -0.847600 -8.5367E+00 -1.7360E+01 -6.2329E+00 H1 5579 1.008000 0.423800 -7.6150E+00 -1.7719E+01 -6.3807E+00 H2 5580 1.008000 0.423800 -8.6277E+00 -1.7056E+01 -5.2847E+00 O6 5581 15.999400 -0.847600 1.2370E+01 -1.1183E+01 1.1187E+00 H1 5582 1.008000 0.423800 1.2818E+01 -1.1874E+01 1.6857E+00 H2 5583 1.008000 0.423800 1.2241E+01 -1.0347E+01 1.6523E+00 O6 5584 15.999400 -0.847600 -1.3083E+01 -6.1367E+00 2.9831E+00 H1 5585 1.008000 0.423800 -1.3401E+01 -6.5090E+00 2.1110E+00 H2 5586 1.008000 0.423800 -1.2102E+01 -6.3032E+00 3.0789E+00 O6 5587 15.999400 -0.847600 -4.1953E+00 3.9719E+00 -5.9518E+00 H1 5588 1.008000 0.423800 -4.8180E+00 4.6948E+00 -6.2515E+00 H2 5589 1.008000 0.423800 -3.3814E+00 4.3824E+00 -5.5406E+00 O6 5590 15.999400 -0.847600 3.5310E+00 -1.0881E+01 -1.4253E+01 H1 5591 1.008000 0.423800 2.7907E+00 -1.1069E+01 -1.3608E+01 H2 5592 1.008000 0.423800 3.3284E+00 -1.1317E+01 -1.5130E+01 O6 5593 15.999400 -0.847600 -6.4626E+00 1.3558E+01 1.5257E+00 H1 5594 1.008000 0.423800 -7.3766E+00 1.3959E+01 1.4611E+00 H2 5595 1.008000 0.423800 -5.9647E+00 1.3725E+01 6.7478E-01 O6 5596 15.999400 -0.847600 -1.2948E+01 -1.6913E+01 2.7211E+00 H1 5597 1.008000 0.423800 -1.3908E+01 -1.7098E+01 2.5096E+00 H2 5598 1.008000 0.423800 -1.2534E+01 -1.6401E+01 1.9686E+00 O6 5599 15.999400 -0.847600 1.4344E+01 -4.6052E+00 1.0984E+01 H1 5600 1.008000 0.423800 1.5074E+01 -4.5962E+00 1.0301E+01 H2 5601 1.008000 0.423800 1.4619E+01 -5.1735E+00 1.1759E+01 O6 5602 15.999400 -0.847600 4.6357E+00 1.0416E+01 1.1336E+01 H1 5603 1.008000 0.423800 4.4324E+00 9.4840E+00 1.1635E+01 H2 5604 1.008000 0.423800 4.8587E+00 1.0412E+01 1.0361E+01 O6 5605 15.999400 -0.847600 -1.6057E+00 1.1441E+00 -1.3968E+01 H1 5606 1.008000 0.423800 -1.8741E+00 1.9001E+00 -1.4565E+01 H2 5607 1.008000 0.423800 -1.3885E+00 1.4988E+00 -1.3059E+01 O6 5608 15.999400 -0.847600 -1.3150E+01 -4.2297E-01 1.6030E+01 H1 5609 1.008000 0.423800 -1.3341E+01 -6.7420E-01 1.6979E+01 H2 5610 1.008000 0.423800 -1.2338E+01 -9.1275E-01 1.5713E+01 O6 5611 15.999400 -0.847600 -3.5755E+00 6.1250E+00 1.5905E+01 H1 5612 1.008000 0.423800 -3.1512E+00 5.8770E+00 1.5034E+01 H2 5613 1.008000 0.423800 -3.4503E+00 5.3804E+00 1.6561E+01 O6 5614 15.999400 -0.847600 -1.9023E+01 -2.9156E+00 -7.2227E+00 H1 5615 1.008000 0.423800 1.9113E+01 -2.6656E+00 -7.1133E+00 H2 5616 1.008000 0.423800 -1.8474E+01 -2.4332E+00 -6.5403E+00 O6 5617 15.999400 -0.847600 -1.1990E+01 -2.6741E+00 -1.2129E+01 H1 5618 1.008000 0.423800 -1.1362E+01 -2.1480E+00 -1.1555E+01 H2 5619 1.008000 0.423800 -1.2890E+01 -2.7072E+00 -1.1695E+01 O6 5620 15.999400 -0.847600 1.1506E+01 1.2449E+00 -6.5197E+00 H1 5621 1.008000 0.423800 1.1203E+01 3.3992E-01 -6.2209E+00 H2 5622 1.008000 0.423800 1.1848E+01 1.1888E+00 -7.4574E+00 O6 5623 15.999400 -0.847600 6.0644E-01 1.2327E+01 -5.1289E+00 H1 5624 1.008000 0.423800 1.0217E+00 1.2635E+01 -5.9849E+00 H2 5625 1.008000 0.423800 1.2839E-01 1.1463E+01 -5.2828E+00 O6 5626 15.999400 -0.847600 1.1224E+01 1.7865E+01 -9.7795E+00 H1 5627 1.008000 0.423800 1.1050E+01 1.8211E+01 -1.0701E+01 H2 5628 1.008000 0.423800 1.0778E+01 1.8459E+01 -9.1107E+00 O6 5629 15.999400 -0.847600 1.3357E+01 -1.5363E+01 -1.7872E+01 H1 5630 1.008000 0.423800 1.2854E+01 -1.4601E+01 -1.7464E+01 H2 5631 1.008000 0.423800 1.2779E+01 -1.5821E+01 -1.8547E+01 O6 5632 15.999400 -0.847600 -5.4539E+00 1.4191E+01 1.7182E+01 H1 5633 1.008000 0.423800 -5.9686E+00 1.4234E+01 1.6326E+01 H2 5634 1.008000 0.423800 -4.5115E+00 1.3916E+01 1.6991E+01 O6 5635 15.999400 -0.847600 1.6473E+01 -1.8193E+01 -1.2267E+01 H1 5636 1.008000 0.423800 1.6246E+01 -1.8427E+01 -1.1321E+01 H2 5637 1.008000 0.423800 1.5659E+01 -1.7837E+01 -1.2726E+01 O6 5638 15.999400 -0.847600 -6.8726E+00 -8.3476E+00 -9.6518E+00 H1 5639 1.008000 0.423800 -7.5928E+00 -8.2586E+00 -1.0340E+01 H2 5640 1.008000 0.423800 -6.1072E+00 -8.8643E+00 -1.0035E+01 O6 5641 15.999400 -0.847600 9.0670E-01 1.1931E+01 1.2917E+01 H1 5642 1.008000 0.423800 1.8066E+00 1.2367E+01 1.2931E+01 H2 5643 1.008000 0.423800 9.3959E-01 1.1082E+01 1.3443E+01 O6 5644 15.999400 -0.847600 8.6519E+00 8.7799E+00 1.2155E+01 H1 5645 1.008000 0.423800 9.5635E+00 8.7510E+00 1.2565E+01 H2 5646 1.008000 0.423800 8.5791E+00 8.0705E+00 1.1454E+01 O6 5647 15.999400 -0.847600 7.0324E+00 -1.9259E+01 1.8705E+01 H1 5648 1.008000 0.423800 7.7899E+00 -1.8972E+01 1.9291E+01 H2 5649 1.008000 0.423800 6.6269E+00 1.9001E+01 1.9070E+01 O6 5650 15.999400 -0.847600 1.1523E-01 -3.5797E+00 1.0363E+01 H1 5651 1.008000 0.423800 -4.6259E-01 -2.7737E+00 1.0235E+01 H2 5652 1.008000 0.423800 5.0184E-01 -3.5688E+00 1.1285E+01 O6 5653 15.999400 -0.847600 -1.5821E+01 1.1739E+01 -1.1899E+01 H1 5654 1.008000 0.423800 -1.5735E+01 1.1418E+01 -1.0956E+01 H2 5655 1.008000 0.423800 -1.5313E+01 1.2594E+01 -1.2008E+01 O6 5656 15.999400 -0.847600 -1.6306E+01 -1.2431E+01 1.4330E+01 H1 5657 1.008000 0.423800 -1.6514E+01 -1.2801E+01 1.3424E+01 H2 5658 1.008000 0.423800 -1.5382E+01 -1.2049E+01 1.4331E+01 O6 5659 15.999400 -0.847600 -1.6857E+01 1.4625E+01 1.8707E+01 H1 5660 1.008000 0.423800 -1.6466E+01 1.3906E+01 1.9281E+01 H2 5661 1.008000 0.423800 -1.7799E+01 1.4386E+01 1.8469E+01 O6 5662 15.999400 -0.847600 9.2068E+00 -8.0943E+00 5.3100E+00 H1 5663 1.008000 0.423800 9.3597E+00 -7.1472E+00 5.0278E+00 H2 5664 1.008000 0.423800 9.4237E+00 -8.1918E+00 6.2813E+00 O6 5665 15.999400 -0.847600 9.4635E+00 -6.7671E-01 1.1140E+01 H1 5666 1.008000 0.423800 9.5053E+00 -1.6514E+00 1.0920E+01 H2 5667 1.008000 0.423800 1.0383E+01 -3.4090E-01 1.1342E+01 O6 5668 15.999400 -0.847600 1.2553E+01 8.4227E-01 -1.6659E+01 H1 5669 1.008000 0.423800 1.1884E+01 2.7272E-01 -1.6181E+01 H2 5670 1.008000 0.423800 1.2473E+01 6.9432E-01 -1.7645E+01 O6 5671 15.999400 -0.847600 -2.3177E+00 7.0599E+00 -1.8756E+01 H1 5672 1.008000 0.423800 -2.3872E+00 7.2301E+00 -1.7773E+01 H2 5673 1.008000 0.423800 -2.0246E+00 6.1165E+00 -1.8911E+01 O6 5674 15.999400 -0.847600 9.6296E+00 1.2637E+01 7.0569E+00 H1 5675 1.008000 0.423800 8.8194E+00 1.2388E+01 6.5266E+00 H2 5676 1.008000 0.423800 9.8743E+00 1.1883E+01 7.6665E+00 O6 5677 15.999400 -0.847600 1.9009E+01 -1.0697E+01 1.1768E+01 H1 5678 1.008000 0.423800 1.8958E+01 -1.1691E+01 1.1672E+01 H2 5679 1.008000 0.423800 -1.9315E+01 -1.0351E+01 1.1235E+01 O6 5680 15.999400 -0.847600 -6.8396E+00 -8.9081E+00 1.6960E+00 H1 5681 1.008000 0.423800 -6.1859E+00 -9.1366E+00 9.7448E-01 H2 5682 1.008000 0.423800 -7.6673E+00 -8.5246E+00 1.2865E+00 O6 5683 15.999400 -0.847600 7.4539E+00 -1.8712E+01 1.0774E+01 H1 5684 1.008000 0.423800 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1.008000 0.423800 8.5860E+00 -1.6691E+01 8.3972E+00 H2 5718 1.008000 0.423800 1.0156E+01 -1.6289E+01 8.5989E+00 O6 5719 15.999400 -0.847600 8.9978E+00 9.3545E+00 -1.7361E+01 H1 5720 1.008000 0.423800 9.9018E+00 8.9421E+00 -1.7474E+01 H2 5721 1.008000 0.423800 9.0622E+00 1.0342E+01 -1.7502E+01 O6 5722 15.999400 -0.847600 1.0748E+01 1.1714E+01 4.7307E+00 H1 5723 1.008000 0.423800 1.0060E+01 1.1746E+01 5.4558E+00 H2 5724 1.008000 0.423800 1.0987E+01 1.2645E+01 4.4562E+00 O6 5725 15.999400 -0.847600 -7.6373E+00 -1.5650E+01 5.5483E+00 H1 5726 1.008000 0.423800 -8.1581E+00 -1.5094E+01 4.9002E+00 H2 5727 1.008000 0.423800 -6.6922E+00 -1.5732E+01 5.2322E+00 O6 5728 15.999400 -0.847600 1.7520E+01 -1.2723E+01 -1.6369E+01 H1 5729 1.008000 0.423800 1.7796E+01 -1.3292E+01 -1.7143E+01 H2 5730 1.008000 0.423800 1.7296E+01 -1.1804E+01 -1.6694E+01 O6 5731 15.999400 -0.847600 1.9168E+01 -7.0059E+00 3.2081E+00 H1 5732 1.008000 0.423800 1.8893E+01 -6.9706E+00 2.2472E+00 H2 5733 1.008000 0.423800 -1.9140E+01 -7.6119E+00 3.3071E+00 O6 5734 15.999400 -0.847600 3.0894E+00 -1.4354E+01 -1.1862E+01 H1 5735 1.008000 0.423800 3.9182E+00 -1.4810E+01 -1.2186E+01 H2 5736 1.008000 0.423800 2.3992E+00 -1.5040E+01 -1.1632E+01 O6 5737 15.999400 -0.847600 -1.8945E+01 3.6064E+00 -1.2144E+01 H1 5738 1.008000 0.423800 -1.8938E+01 3.0147E+00 -1.1338E+01 H2 5739 1.008000 0.423800 -1.9049E+01 3.0476E+00 -1.2967E+01 O6 5740 15.999400 -0.847600 6.0129E+00 4.0879E+00 -3.1453E+00 H1 5741 1.008000 0.423800 6.2168E+00 3.1616E+00 -3.4621E+00 H2 5742 1.008000 0.423800 6.2604E+00 4.7455E+00 -3.8568E+00 O6 5743 15.999400 -0.847600 -1.4061E+01 1.2562E+01 1.0337E+01 H1 5744 1.008000 0.423800 -1.4698E+01 1.2826E+01 1.1061E+01 H2 5745 1.008000 0.423800 -1.4209E+01 1.3141E+01 9.5355E+00 O6 5746 15.999400 -0.847600 7.3494E+00 6.4491E+00 -1.3394E+01 H1 5747 1.008000 0.423800 6.4767E+00 6.6973E+00 -1.3815E+01 H2 5748 1.008000 0.423800 7.3240E+00 6.6692E+00 -1.2419E+01 O6 5749 15.999400 -0.847600 1.2094E+00 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1.0511E+01 H2 5766 1.008000 0.423800 -1.7348E+00 1.2098E+01 1.1298E+01 O6 5767 15.999400 -0.847600 -1.4462E+01 1.0821E+01 -4.7014E+00 H1 5768 1.008000 0.423800 -1.5192E+01 1.0688E+01 -4.0305E+00 H2 5769 1.008000 0.423800 -1.4689E+01 1.0329E+01 -5.5421E+00 O6 5770 15.999400 -0.847600 -1.4876E+01 -3.8529E+00 1.3102E+01 H1 5771 1.008000 0.423800 -1.4799E+01 -4.5439E+00 1.2383E+01 H2 5772 1.008000 0.423800 -1.4456E+01 -3.0003E+00 1.2791E+01 O6 5773 15.999400 -0.847600 1.9365E+01 2.4343E+00 -1.4424E+01 H1 5774 1.008000 0.423800 -1.9379E+01 2.9245E+00 -1.5221E+01 H2 5775 1.008000 0.423800 1.8465E+01 2.0548E+00 -1.4639E+01 O6 5776 15.999400 -0.847600 -5.2613E+00 -6.6521E+00 -1.5534E+01 H1 5777 1.008000 0.423800 -5.6251E+00 -7.5577E+00 -1.5316E+01 H2 5778 1.008000 0.423800 -5.0479E+00 -6.6046E+00 -1.6509E+01 O6 5779 15.999400 -0.847600 1.0949E+01 5.2442E+00 -1.1647E+01 H1 5780 1.008000 0.423800 1.1678E+01 5.5610E+00 -1.1040E+01 H2 5781 1.008000 0.423800 1.0424E+01 6.0295E+00 -1.1975E+01 O6 5782 15.999400 -0.847600 1.4566E+01 2.9854E-01 1.2810E+01 H1 5783 1.008000 0.423800 1.4867E+01 -6.2960E-01 1.2591E+01 H2 5784 1.008000 0.423800 1.4119E+01 3.0149E-01 1.3704E+01 O6 5785 15.999400 -0.847600 9.6107E+00 1.5868E+01 -7.7857E+00 H1 5786 1.008000 0.423800 9.0111E+00 1.6288E+01 -7.1047E+00 H2 5787 1.008000 0.423800 1.0084E+01 1.6583E+01 -8.3000E+00 O6 5788 15.999400 -0.847600 1.1772E+01 1.4216E+01 4.1970E+00 H1 5789 1.008000 0.423800 1.2157E+01 1.4604E+01 3.3595E+00 H2 5790 1.008000 0.423800 1.1258E+01 1.4921E+01 4.6851E+00 O6 5791 15.999400 -0.847600 1.4811E+01 -1.2912E+01 9.7201E+00 H1 5792 1.008000 0.423800 1.4246E+01 -1.2169E+01 1.0079E+01 H2 5793 1.008000 0.423800 1.5297E+01 -1.3354E+01 1.0474E+01 O6 5794 15.999400 -0.847600 -1.6421E+01 -5.6445E+00 1.5532E+01 H1 5795 1.008000 0.423800 -1.5584E+01 -6.1589E+00 1.5345E+01 H2 5796 1.008000 0.423800 -1.7030E+01 -5.7001E+00 1.4741E+01 O6 5797 15.999400 -0.847600 -1.1844E+01 -1.7757E+01 -7.8665E-01 H1 5798 1.008000 0.423800 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-2.2546E+00 -1.2118E+01 -2.7383E+00 O6 5815 15.999400 -0.847600 4.5961E+00 1.2143E+01 -8.0504E+00 H1 5816 1.008000 0.423800 4.4903E+00 1.1866E+01 -9.0053E+00 H2 5817 1.008000 0.423800 4.8003E+00 1.1340E+01 -7.4906E+00 O6 5818 15.999400 -0.847600 2.8336E+00 5.0644E+00 1.2960E+01 H1 5819 1.008000 0.423800 3.5390E+00 4.3802E+00 1.2774E+01 H2 5820 1.008000 0.423800 2.7083E+00 5.1550E+00 1.3948E+01 O6 5821 15.999400 -0.847600 5.1125E+00 1.9180E+01 -6.1248E+00 H1 5822 1.008000 0.423800 4.7344E+00 -1.9000E+01 -6.2504E+00 H2 5823 1.008000 0.423800 5.2628E+00 1.8756E+01 -7.0181E+00 O6 5824 15.999400 -0.847600 1.7250E+01 1.9349E+01 1.8073E+01 H1 5825 1.008000 0.423800 1.6951E+01 1.8413E+01 1.7891E+01 H2 5826 1.008000 0.423800 1.7887E+01 1.9352E+01 1.8843E+01 O6 5827 15.999400 -0.847600 1.1651E+01 8.3825E+00 -1.7683E+01 H1 5828 1.008000 0.423800 1.2260E+01 8.9148E+00 -1.7095E+01 H2 5829 1.008000 0.423800 1.2139E+01 8.1157E+00 -1.8514E+01 O6 5830 15.999400 -0.847600 7.7491E+00 -5.7288E+00 -7.4821E+00 H1 5831 1.008000 0.423800 7.2837E+00 -6.5826E+00 -7.7155E+00 H2 5832 1.008000 0.423800 7.8159E+00 -5.6468E+00 -6.4877E+00 O6 5833 15.999400 -0.847600 1.6309E+01 1.6450E+01 3.0282E+00 H1 5834 1.008000 0.423800 1.6600E+01 1.7283E+01 3.4996E+00 H2 5835 1.008000 0.423800 1.6665E+01 1.6454E+01 2.0939E+00 O6 5836 15.999400 -0.847600 1.0728E+01 -1.5100E+01 -1.8784E+01 H1 5837 1.008000 0.423800 9.8244E+00 -1.5024E+01 -1.9206E+01 H2 5838 1.008000 0.423800 1.0719E+01 -1.5837E+01 -1.8107E+01 O6 5839 15.999400 -0.847600 1.4972E+01 -1.0284E+01 -1.7120E+01 H1 5840 1.008000 0.423800 1.4873E+01 -9.2904E+00 -1.7177E+01 H2 5841 1.008000 0.423800 1.5877E+01 -1.0548E+01 -1.7455E+01 O6 5842 15.999400 -0.847600 -1.2198E+01 1.5976E+01 -1.0492E+01 H1 5843 1.008000 0.423800 -1.2149E+01 1.6267E+01 -9.5368E+00 H2 5844 1.008000 0.423800 -1.1988E+01 1.6751E+01 -1.1088E+01 O6 5845 15.999400 -0.847600 -4.2264E+00 -1.9537E+01 -1.7224E+01 H1 5846 1.008000 0.423800 -4.0435E+00 -1.8570E+01 -1.7047E+01 H2 5847 1.008000 0.423800 -3.8283E+00 1.9007E+01 -1.6492E+01 O6 5848 15.999400 -0.847600 2.0047E+00 -1.4303E+01 1.1557E+01 H1 5849 1.008000 0.423800 2.2502E+00 -1.5205E+01 1.1203E+01 H2 5850 1.008000 0.423800 2.7763E+00 -1.3678E+01 1.1440E+01 O6 5851 15.999400 -0.847600 -1.4359E+01 -1.6933E+01 1.5725E+01 H1 5852 1.008000 0.423800 -1.3560E+01 -1.6432E+01 1.5393E+01 H2 5853 1.008000 0.423800 -1.4063E+01 -1.7782E+01 1.6161E+01 O6 5854 15.999400 -0.847600 9.9528E+00 -1.2664E+00 -1.7713E+01 H1 5855 1.008000 0.423800 9.1273E+00 -8.1767E-01 -1.8056E+01 H2 5856 1.008000 0.423800 1.0210E+01 -8.6492E-01 -1.6834E+01 O6 5857 15.999400 -0.847600 6.1024E+00 1.7295E+01 2.0943E+00 H1 5858 1.008000 0.423800 6.2559E+00 1.8242E+01 2.3772E+00 H2 5859 1.008000 0.423800 5.8205E+00 1.6753E+01 2.8856E+00 O6 5860 15.999400 -0.847600 7.6918E+00 7.3470E+00 -9.8791E-01 H1 5861 1.008000 0.423800 6.7348E+00 7.5633E+00 -1.1813E+00 H2 5862 1.008000 0.423800 8.2836E+00 7.9888E+00 -1.4757E+00 O6 5863 15.999400 -0.847600 -6.3896E+00 1.0542E+01 -4.9520E+00 H1 5864 1.008000 0.423800 -7.0055E+00 9.9953E+00 -4.3851E+00 H2 5865 1.008000 0.423800 -6.9212E+00 1.1039E+01 -5.6382E+00 O6 5866 15.999400 -0.847600 -1.7592E+01 -1.1156E+01 -1.1035E+00 H1 5867 1.008000 0.423800 -1.7351E+01 -1.0211E+01 -8.8355E-01 H2 5868 1.008000 0.423800 -1.8542E+01 -1.1195E+01 -1.4105E+00 O6 5869 15.999400 -0.847600 -2.5753E+00 1.2862E+01 -1.9519E+01 H1 5870 1.008000 0.423800 -3.1230E+00 1.3430E+01 -1.8904E+01 H2 5871 1.008000 0.423800 -1.8819E+00 1.2372E+01 -1.8992E+01 O6 5872 15.999400 -0.847600 1.8368E+01 -5.4083E-01 -1.8484E+01 H1 5873 1.008000 0.423800 1.8947E+01 -6.6984E-01 -1.7679E+01 H2 5874 1.008000 0.423800 1.8749E+01 1.8541E-01 -1.9056E+01 O6 5875 15.999400 -0.847600 1.3929E+01 -9.5791E+00 1.7885E+01 H1 5876 1.008000 0.423800 1.3428E+01 -1.0023E+01 1.8628E+01 H2 5877 1.008000 0.423800 1.3781E+01 -1.0085E+01 1.7035E+01 O6 5878 15.999400 -0.847600 -1.4000E+01 1.7251E+01 -1.4003E+01 H1 5879 1.008000 0.423800 -1.4121E+01 1.8110E+01 -1.3505E+01 H2 5880 1.008000 0.423800 -1.3153E+01 1.7291E+01 -1.4533E+01 O6 5881 15.999400 -0.847600 7.8818E+00 -1.6460E+01 1.5800E+00 H1 5882 1.008000 0.423800 7.5015E+00 -1.5692E+01 2.0960E+00 H2 5883 1.008000 0.423800 8.2992E+00 -1.6121E+01 7.3704E-01 O6 5884 15.999400 -0.847600 -1.6322E+01 7.7253E+00 -1.1316E+01 H1 5885 1.008000 0.423800 -1.6606E+01 6.9074E+00 -1.1817E+01 H2 5886 1.008000 0.423800 -1.7084E+01 8.0546E+00 -1.0758E+01 O6 5887 15.999400 -0.847600 1.0857E+01 1.5463E+01 -1.2293E+01 H1 5888 1.008000 0.423800 1.0869E+01 1.6411E+01 -1.1973E+01 H2 5889 1.008000 0.423800 1.0787E+01 1.5449E+01 -1.3291E+01 O6 5890 15.999400 -0.847600 3.8304E+00 4.2303E+00 7.6216E+00 H1 5891 1.008000 0.423800 3.4828E+00 4.2679E+00 8.5585E+00 H2 5892 1.008000 0.423800 4.2138E+00 5.1196E+00 7.3724E+00 O6 5893 15.999400 -0.847600 5.6012E+00 -3.8113E+00 1.7876E+01 H1 5894 1.008000 0.423800 6.4110E+00 -3.3999E+00 1.8294E+01 H2 5895 1.008000 0.423800 5.4858E+00 -4.7433E+00 1.8220E+01 O6 5896 15.999400 -0.847600 7.8115E+00 1.9520E+01 6.6697E+00 H1 5897 1.008000 0.423800 7.6949E+00 1.9520E+01 5.6765E+00 H2 5898 1.008000 0.423800 8.4185E+00 1.8771E+01 6.9339E+00 O6 5899 15.999400 -0.847600 -1.5044E+01 1.6149E-02 -1.8413E+01 H1 5900 1.008000 0.423800 -1.4365E+01 -6.1187E-01 -1.8032E+01 H2 5901 1.008000 0.423800 -1.4596E+01 6.4626E-01 -1.9047E+01 O6 5902 15.999400 -0.847600 -5.9992E+00 2.9044E+00 -4.2478E+00 H1 5903 1.008000 0.423800 -6.0367E+00 1.9149E+00 -4.3870E+00 H2 5904 1.008000 0.423800 -5.5719E+00 3.3367E+00 -5.0418E+00 O6 5905 15.999400 -0.847600 5.0672E+00 7.9860E+00 -2.2273E+00 H1 5906 1.008000 0.423800 4.1974E+00 7.6498E+00 -2.5884E+00 H2 5907 1.008000 0.423800 4.9433E+00 8.9103E+00 -1.8665E+00 O6 5908 15.999400 -0.847600 -1.1990E+00 -1.9901E+00 -1.1862E+01 H1 5909 1.008000 0.423800 -2.1405E+00 -1.7776E+00 -1.2123E+01 H2 5910 1.008000 0.423800 -7.6693E-01 -2.5316E+00 -1.2583E+01 O6 5911 15.999400 -0.847600 -4.7214E+00 -1.4046E+01 -1.1374E+00 H1 5912 1.008000 0.423800 -4.6818E+00 -1.4516E+01 -2.0191E+00 H2 5913 1.008000 0.423800 -5.0208E+00 -1.4688E+01 -4.3096E-01 O6 5914 15.999400 -0.847600 -3.3271E+00 1.7656E+00 1.7441E+01 H1 5915 1.008000 0.423800 -3.7067E+00 2.4994E+00 1.6877E+01 H2 5916 1.008000 0.423800 -2.7558E+00 1.1718E+00 1.6874E+01 O6 5917 15.999400 -0.847600 1.1080E+01 -1.8125E+01 -1.1072E+01 H1 5918 1.008000 0.423800 1.0645E+01 -1.7744E+01 -1.0257E+01 H2 5919 1.008000 0.423800 1.0740E+01 -1.7651E+01 -1.1884E+01 O6 5920 15.999400 -0.847600 1.2004E+01 1.8773E+01 9.2369E+00 H1 5921 1.008000 0.423800 1.2526E+01 1.9377E+01 8.6343E+00 H2 5922 1.008000 0.423800 1.2619E+01 1.8098E+01 9.6453E+00 O6 5923 15.999400 -0.847600 1.2220E+01 1.0197E+01 -1.3475E+01 H1 5924 1.008000 0.423800 1.2190E+01 1.1196E+01 -1.3495E+01 H2 5925 1.008000 0.423800 1.3099E+01 9.8978E+00 -1.3104E+01 O6 5926 15.999400 -0.847600 -1.3558E+01 -1.3217E+01 1.2045E+01 H1 5927 1.008000 0.423800 -1.3744E+01 -1.2739E+01 1.2903E+01 H2 5928 1.008000 0.423800 -1.3471E+01 -1.4197E+01 1.2221E+01 O6 5929 15.999400 -0.847600 -1.6964E+01 3.5195E+00 -1.7148E+01 H1 5930 1.008000 0.423800 -1.7810E+01 3.9667E+00 -1.6856E+01 H2 5931 1.008000 0.423800 -1.6982E+01 2.5593E+00 -1.6869E+01 O6 5932 15.999400 -0.847600 -1.3252E+01 8.3980E+00 -2.6528E+00 H1 5933 1.008000 0.423800 -1.3634E+01 8.7027E+00 -1.7803E+00 H2 5934 1.008000 0.423800 -1.2842E+01 7.4932E+00 -2.5391E+00 O6 5935 15.999400 -0.847600 1.2633E+01 3.2849E-01 -1.1434E+01 H1 5936 1.008000 0.423800 1.1653E+01 1.2743E-01 -1.1431E+01 H2 5937 1.008000 0.423800 1.3044E+01 -2.6275E-02 -1.2273E+01 O6 5938 15.999400 -0.847600 -3.3446E+00 3.1297E+00 -1.5013E+01 H1 5939 1.008000 0.423800 -2.9449E+00 4.0456E+00 -1.4974E+01 H2 5940 1.008000 0.423800 -4.0469E+00 3.1029E+00 -1.5724E+01 O6 5941 15.999400 -0.847600 -7.9179E-01 -6.6943E+00 -9.9968E+00 H1 5942 1.008000 0.423800 -5.1020E-01 -6.0445E+00 -1.0703E+01 H2 5943 1.008000 0.423800 1.3397E-02 -7.1670E+00 -9.6387E+00 O6 5944 15.999400 -0.847600 -1.6046E+01 -7.5760E+00 -7.9526E+00 H1 5945 1.008000 0.423800 -1.5386E+01 -8.0052E+00 -8.5686E+00 H2 5946 1.008000 0.423800 -1.6941E+01 -8.0070E+00 -8.0709E+00 O6 5947 15.999400 -0.847600 1.0632E+01 4.8609E+00 8.1659E+00 H1 5948 1.008000 0.423800 1.1248E+01 4.1268E+00 7.8795E+00 H2 5949 1.008000 0.423800 1.1129E+01 5.7288E+00 8.1729E+00 O6 5950 15.999400 -0.847600 3.4998E+00 -1.8645E+01 7.0061E+00 H1 5951 1.008000 0.423800 3.4588E+00 -1.8792E+01 6.0178E+00 H2 5952 1.008000 0.423800 4.0130E+00 -1.7809E+01 7.1979E+00 O6 5953 15.999400 -0.847600 1.3936E+01 -2.9879E+00 1.5823E+01 H1 5954 1.008000 0.423800 1.3104E+01 -2.5126E+00 1.6109E+01 H2 5955 1.008000 0.423800 1.4732E+01 -2.5446E+00 1.6235E+01 O6 5956 15.999400 -0.847600 1.0416E+01 -8.1817E+00 -4.4451E+00 H1 5957 1.008000 0.423800 1.1015E+01 -7.9389E+00 -3.6824E+00 H2 5958 1.008000 0.423800 1.0463E+01 -7.4700E+00 -5.1459E+00 O6 5959 15.999400 -0.847600 -1.6728E+01 -2.5424E+00 -1.6926E+01 H1 5960 1.008000 0.423800 -1.6154E+01 -2.8997E+00 -1.6189E+01 H2 5961 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-5.1125E+00 H2 5994 1.008000 0.423800 -1.4323E+00 -1.1068E+01 -4.2820E+00 O6 5995 15.999400 -0.847600 1.3779E+01 1.4886E+01 -2.2899E+00 H1 5996 1.008000 0.423800 1.4592E+01 1.4470E+01 -1.8831E+00 H2 5997 1.008000 0.423800 1.3385E+01 1.4261E+01 -2.9630E+00 O6 5998 15.999400 -0.847600 1.3524E+01 1.0681E+01 -6.1995E+00 H1 5999 1.008000 0.423800 1.4176E+01 1.0509E+01 -6.9373E+00 H2 6000 1.008000 0.423800 1.3549E+01 9.9227E+00 -5.5482E+00 O6 6001 15.999400 -0.847600 -9.0973E+00 -1.7928E+01 3.2069E+00 H1 6002 1.008000 0.423800 -9.5192E+00 -1.7225E+01 3.7798E+00 H2 6003 1.008000 0.423800 -9.8044E+00 -1.8544E+01 2.8613E+00 O6 6004 15.999400 -0.847600 -8.3904E+00 1.6019E+00 6.2221E+00 H1 6005 1.008000 0.423800 -8.4834E+00 2.5963E+00 6.1727E+00 H2 6006 1.008000 0.423800 -9.0297E+00 1.2407E+00 6.9009E+00 timestep 60001 6006 0 1 0.001000 39.10 0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.1744E+01 8.7611E+00 3.1694E+00 O1 2 15.999400 -1.000000 -1.1265E+01 9.7086E+00 1.8805E+00 O2 3 15.999400 -1.000000 -1.1903E+01 7.1765E+00 2.6666E+00 O3 4 15.999400 -1.000000 -1.0598E+01 8.8483E+00 4.3810E+00 O4 5 15.999400 -1.000000 -1.3211E+01 9.3108E+00 3.7494E+00 CU 6 63.465000 2.000000 -9.7033E+00 8.7573E+00 5.9003E+00 O6 7 15.999400 -0.847600 1.6536E+01 1.1120E+01 1.6003E+01 H1 8 1.008000 0.423800 1.7206E+01 1.1504E+01 1.6639E+01 H2 9 1.008000 0.423800 1.6850E+01 1.0223E+01 1.5690E+01 O6 10 15.999400 -0.847600 1.4086E+01 1.3239E+01 4.1890E+00 H1 11 1.008000 0.423800 1.3605E+01 1.3368E+01 3.3219E+00 H2 12 1.008000 0.423800 1.3511E+01 1.2710E+01 4.8138E+00 O6 13 15.999400 -0.847600 -3.1081E+00 -1.1757E+01 -7.7273E-01 H1 14 1.008000 0.423800 -3.2852E+00 -1.2434E+01 -1.4869E+00 H2 15 1.008000 0.423800 -2.1296E+00 -1.1737E+01 -5.6722E-01 O6 16 15.999400 -0.847600 -6.2437E+00 -1.2913E+01 1.8131E+01 H1 17 1.008000 0.423800 -5.3466E+00 -1.2622E+01 1.8463E+01 H2 18 1.008000 0.423800 -6.1380E+00 -1.3381E+01 1.7253E+01 O6 19 15.999400 -0.847600 -1.5280E+01 1.8791E+01 1.1444E+01 H1 20 1.008000 0.423800 -1.6043E+01 1.8849E+01 1.2087E+01 H2 21 1.008000 0.423800 -1.5210E+01 -1.9451E+01 1.0931E+01 O6 22 15.999400 -0.847600 -1.2070E+01 -1.8401E+01 1.6374E+01 H1 23 1.008000 0.423800 -1.1133E+01 -1.8649E+01 1.6621E+01 H2 24 1.008000 0.423800 -1.2525E+01 -1.7990E+01 1.7163E+01 O6 25 15.999400 -0.847600 5.9077E+00 -4.4767E+00 3.7267E-01 H1 26 1.008000 0.423800 6.3673E+00 -4.4169E+00 1.2588E+00 H2 27 1.008000 0.423800 5.1809E+00 -3.7913E+00 3.2731E-01 O6 28 15.999400 -0.847600 -3.5059E+00 5.0170E+00 -8.8354E-01 H1 29 1.008000 0.423800 -3.9990E+00 4.8535E+00 -2.9004E-02 H2 30 1.008000 0.423800 -4.1104E+00 4.8303E+00 -1.6580E+00 O6 31 15.999400 -0.847600 -6.6873E+00 1.6250E+01 1.1802E+01 H1 32 1.008000 0.423800 -6.5258E+00 1.6742E+01 1.0946E+01 H2 33 1.008000 0.423800 -7.5505E+00 1.6556E+01 1.2204E+01 O6 34 15.999400 -0.847600 -9.0171E+00 3.7131E+00 -1.4289E+01 H1 35 1.008000 0.423800 -9.1567E+00 3.2928E+00 -1.3392E+01 H2 36 1.008000 0.423800 -9.3367E+00 4.6604E+00 -1.4266E+01 O6 37 15.999400 -0.847600 9.8912E+00 -2.7151E+00 5.6956E+00 H1 38 1.008000 0.423800 9.5206E+00 -2.4287E+00 4.8121E+00 H2 39 1.008000 0.423800 9.4802E+00 -2.1660E+00 6.4232E+00 O6 40 15.999400 -0.847600 -3.9333E+00 -5.5921E+00 -1.0595E+01 H1 41 1.008000 0.423800 -3.0126E+00 -5.4883E+00 -1.0971E+01 H2 42 1.008000 0.423800 -3.9175E+00 -5.3919E+00 -9.6154E+00 O6 43 15.999400 -0.847600 -3.3659E+00 -5.8231E+00 4.2176E+00 H1 44 1.008000 0.423800 -2.3672E+00 -5.8510E+00 4.1758E+00 H2 45 1.008000 0.423800 -3.6756E+00 -6.2442E+00 5.0701E+00 O6 46 15.999400 -0.847600 -7.0974E+00 1.0066E+01 -7.1692E-01 H1 47 1.008000 0.423800 -7.3455E+00 1.0143E+01 2.4884E-01 H2 48 1.008000 0.423800 -7.9261E+00 9.9599E+00 -1.2664E+00 O6 49 15.999400 -0.847600 -5.8841E+00 1.6573E+01 -1.1715E+01 H1 50 1.008000 0.423800 -5.2677E+00 1.6673E+01 -1.2496E+01 H2 51 1.008000 0.423800 -5.4211E+00 1.6882E+01 -1.0884E+01 O6 52 15.999400 -0.847600 1.8412E+01 -9.8955E+00 4.4515E+00 H1 53 1.008000 0.423800 1.9066E+01 -9.1396E+00 4.4384E+00 H2 54 1.008000 0.423800 1.7600E+01 -9.6423E+00 3.9254E+00 O6 55 15.999400 -0.847600 -1.2701E+01 -7.5550E+00 -1.7337E+01 H1 56 1.008000 0.423800 -1.2170E+01 -8.0936E+00 -1.7990E+01 H2 57 1.008000 0.423800 -1.3645E+01 -7.8859E+00 -1.7322E+01 O6 58 15.999400 -0.847600 6.1356E+00 -1.2816E+01 -1.6269E+01 H1 59 1.008000 0.423800 6.7152E+00 -1.3280E+01 -1.6939E+01 H2 60 1.008000 0.423800 5.9873E+00 -1.3417E+01 -1.5484E+01 O6 61 15.999400 -0.847600 1.6206E+01 -1.4699E+01 1.1117E+01 H1 62 1.008000 0.423800 1.5870E+01 -1.5640E+01 1.1144E+01 H2 63 1.008000 0.423800 1.6669E+01 -1.4486E+01 1.1978E+01 O6 64 15.999400 -0.847600 -1.0023E+00 -1.4218E+01 1.6641E+00 H1 65 1.008000 0.423800 -1.0595E+00 -1.5068E+01 2.1880E+00 H2 66 1.008000 0.423800 -1.6678E+00 -1.3562E+01 2.0199E+00 O6 67 15.999400 -0.847600 -8.6409E+00 -1.5504E+01 1.0938E+01 H1 68 1.008000 0.423800 -8.7493E+00 -1.6321E+01 1.1504E+01 H2 69 1.008000 0.423800 -8.0255E+00 -1.4862E+01 1.1395E+01 O6 70 15.999400 -0.847600 1.3423E+01 -5.1905E+00 1.0845E+01 H1 71 1.008000 0.423800 1.3292E+01 -4.3023E+00 1.0404E+01 H2 72 1.008000 0.423800 1.2535E+01 -5.5678E+00 1.1105E+01 O6 73 15.999400 -0.847600 -2.8322E-01 -1.1498E+01 -5.2850E-01 H1 74 1.008000 0.423800 -3.7448E-02 -1.0582E+01 -8.4459E-01 H2 75 1.008000 0.423800 -8.9288E-02 -1.1576E+01 4.4936E-01 O6 76 15.999400 -0.847600 7.7693E+00 1.4564E+01 -4.1463E+00 H1 77 1.008000 0.423800 7.5754E+00 1.4641E+01 -3.1683E+00 H2 78 1.008000 0.423800 8.4216E+00 1.5273E+01 -4.4133E+00 O6 79 15.999400 -0.847600 4.8074E+00 -1.9297E+01 1.6739E+01 H1 80 1.008000 0.423800 5.3837E+00 -1.9536E+01 1.5958E+01 H2 81 1.008000 0.423800 4.6423E+00 1.8984E+01 1.7293E+01 O6 82 15.999400 -0.847600 -2.7249E+00 -7.8852E+00 2.3027E+00 H1 83 1.008000 0.423800 -2.1574E+00 -8.4107E+00 2.9365E+00 H2 84 1.008000 0.423800 -3.1616E+00 -7.1310E+00 2.7932E+00 O6 85 15.999400 -0.847600 4.9700E+00 2.5410E+00 -1.4567E+01 H1 86 1.008000 0.423800 5.3979E+00 2.2330E+00 -1.3717E+01 H2 87 1.008000 0.423800 5.2232E+00 3.4925E+00 -1.4742E+01 O6 88 15.999400 -0.847600 9.5340E+00 -1.5497E+01 -1.0181E+01 H1 89 1.008000 0.423800 8.8968E+00 -1.6266E+01 -1.0226E+01 H2 90 1.008000 0.423800 9.5776E+00 -1.5155E+01 -9.2428E+00 O6 91 15.999400 -0.847600 -6.8756E+00 -1.1718E+01 -5.7726E+00 H1 92 1.008000 0.423800 -7.1946E+00 -1.0770E+01 -5.7648E+00 H2 93 1.008000 0.423800 -7.3039E+00 -1.2207E+01 -6.5323E+00 O6 94 15.999400 -0.847600 -1.7073E+01 2.6568E+00 5.3656E+00 H1 95 1.008000 0.423800 -1.6371E+01 2.9742E+00 4.7274E+00 H2 96 1.008000 0.423800 -1.7962E+01 3.0219E+00 5.0917E+00 O6 97 15.999400 -0.847600 1.6503E+01 1.6378E+00 -1.7506E+01 H1 98 1.008000 0.423800 1.5900E+01 1.9501E+00 -1.6772E+01 H2 99 1.008000 0.423800 1.6573E+01 2.3494E+00 -1.8205E+01 O6 100 15.999400 -0.847600 -1.5241E+00 -1.1126E+01 8.6988E+00 H1 101 1.008000 0.423800 -2.1885E+00 -1.1800E+01 9.0209E+00 H2 102 1.008000 0.423800 -1.4181E+00 -1.0408E+01 9.3866E+00 O6 103 15.999400 -0.847600 1.7191E+01 3.4891E+00 -6.7337E+00 H1 104 1.008000 0.423800 1.6412E+01 2.8678E+00 -6.6539E+00 H2 105 1.008000 0.423800 1.7094E+01 4.2329E+00 -6.0725E+00 O6 106 15.999400 -0.847600 3.3920E+00 1.1906E+01 -1.6213E+01 H1 107 1.008000 0.423800 2.8401E+00 1.2648E+01 -1.6592E+01 H2 108 1.008000 0.423800 3.6636E+00 1.2136E+01 -1.5279E+01 O6 109 15.999400 -0.847600 -9.1405E+00 -1.8123E+01 1.7209E+01 H1 110 1.008000 0.423800 -9.0232E+00 -1.7399E+01 1.7889E+01 H2 111 1.008000 0.423800 -8.7452E+00 -1.7829E+01 1.6338E+01 O6 112 15.999400 -0.847600 7.3812E+00 -3.9492E+00 2.4194E+00 H1 113 1.008000 0.423800 6.6805E+00 -3.7994E+00 3.1170E+00 H2 114 1.008000 0.423800 8.1448E+00 -3.3223E+00 2.5739E+00 O6 115 15.999400 -0.847600 -1.9488E+01 -1.2366E+01 -1.6919E+01 H1 116 1.008000 0.423800 1.9069E+01 -1.3177E+01 -1.7144E+01 H2 117 1.008000 0.423800 1.9174E+01 -1.1874E+01 -1.6165E+01 O6 118 15.999400 -0.847600 4.5257E+00 5.8908E-01 4.6862E+00 H1 119 1.008000 0.423800 4.9308E+00 1.2089E+00 5.3584E+00 H2 120 1.008000 0.423800 5.2474E+00 2.0267E-01 4.1118E+00 O6 121 15.999400 -0.847600 -4.8058E+00 3.9095E+00 1.2977E+00 H1 122 1.008000 0.423800 -3.9751E+00 3.4332E+00 1.5862E+00 H2 123 1.008000 0.423800 -5.1663E+00 4.4435E+00 2.0624E+00 O6 124 15.999400 -0.847600 4.8477E+00 -1.5956E+01 1.3857E+01 H1 125 1.008000 0.423800 4.0620E+00 -1.5647E+01 1.4393E+01 H2 126 1.008000 0.423800 4.6361E+00 -1.6836E+01 1.3432E+01 O6 127 15.999400 -0.847600 1.8005E+01 1.8023E+01 1.5026E+01 H1 128 1.008000 0.423800 1.8707E+01 1.7574E+01 1.5578E+01 H2 129 1.008000 0.423800 1.8386E+01 1.8849E+01 1.4611E+01 O6 130 15.999400 -0.847600 1.4537E+01 -9.3817E+00 -3.1085E+00 H1 131 1.008000 0.423800 1.4911E+01 -1.0072E+01 -2.4893E+00 H2 132 1.008000 0.423800 1.4088E+01 -8.6640E+00 -2.5755E+00 O6 133 15.999400 -0.847600 -1.8015E+01 7.9807E+00 5.5969E+00 H1 134 1.008000 0.423800 -1.8145E+01 7.0374E+00 5.9023E+00 H2 135 1.008000 0.423800 -1.8516E+01 8.5992E+00 6.2022E+00 O6 136 15.999400 -0.847600 1.6702E+01 7.2651E+00 1.2036E+01 H1 137 1.008000 0.423800 1.6538E+01 6.3602E+00 1.2429E+01 H2 138 1.008000 0.423800 1.5983E+01 7.8928E+00 1.2333E+01 O6 139 15.999400 -0.847600 2.8915E+00 1.6210E+01 -8.2918E+00 H1 140 1.008000 0.423800 2.4226E+00 1.5739E+01 -9.0390E+00 H2 141 1.008000 0.423800 3.2855E+00 1.5535E+01 -7.6678E+00 O6 142 15.999400 -0.847600 -1.7198E+01 -1.8904E+01 6.6380E-01 H1 143 1.008000 0.423800 -1.7858E+01 -1.8368E+01 1.3696E-01 H2 144 1.008000 0.423800 -1.7015E+01 1.9332E+01 1.9126E-01 O6 145 15.999400 -0.847600 -6.3054E+00 -5.1824E+00 9.0839E+00 H1 146 1.008000 0.423800 -5.3990E+00 -5.3295E+00 8.6879E+00 H2 147 1.008000 0.423800 -6.9389E+00 -4.8908E+00 8.3672E+00 O6 148 15.999400 -0.847600 -8.6549E-02 9.7223E+00 -5.1979E+00 H1 149 1.008000 0.423800 8.1510E-01 9.3610E+00 -5.4356E+00 H2 150 1.008000 0.423800 -7.9478E-01 9.1366E+00 -5.5920E+00 O6 151 15.999400 -0.847600 1.7823E+01 -1.7556E+01 -2.0293E+00 H1 152 1.008000 0.423800 1.8634E+01 -1.8116E+01 -1.8588E+00 H2 153 1.008000 0.423800 1.7846E+01 -1.6748E+01 -1.4399E+00 O6 154 15.999400 -0.847600 1.8585E+01 1.2126E+01 1.7522E+01 H1 155 1.008000 0.423800 1.9309E+01 1.1455E+01 1.7681E+01 H2 156 1.008000 0.423800 1.8928E+01 1.2852E+01 1.6926E+01 O6 157 15.999400 -0.847600 1.1439E+01 -3.8501E+00 -1.3211E+01 H1 158 1.008000 0.423800 1.1424E+01 -4.3346E+00 -1.2337E+01 H2 159 1.008000 0.423800 1.1604E+01 -4.5026E+00 -1.3951E+01 O6 160 15.999400 -0.847600 -1.3699E+01 4.3631E+00 -1.5373E+01 H1 161 1.008000 0.423800 -1.4014E+01 3.4407E+00 -1.5597E+01 H2 162 1.008000 0.423800 -1.4431E+01 5.0187E+00 -1.5556E+01 O6 163 15.999400 -0.847600 1.1134E+01 -1.7186E+01 -6.6414E+00 H1 164 1.008000 0.423800 1.0280E+01 -1.7620E+01 -6.3536E+00 H2 165 1.008000 0.423800 1.1857E+01 -1.7875E+01 -6.6915E+00 O6 166 15.999400 -0.847600 9.3940E+00 7.4992E+00 1.4269E+01 H1 167 1.008000 0.423800 8.9127E+00 7.7115E+00 1.5119E+01 H2 168 1.008000 0.423800 8.8362E+00 7.7857E+00 1.3490E+01 O6 169 15.999400 -0.847600 -1.9633E+00 -1.2488E+01 1.2393E+01 H1 170 1.008000 0.423800 -2.8715E+00 -1.2435E+01 1.1978E+01 H2 171 1.008000 0.423800 -1.7762E+00 -1.3431E+01 1.2667E+01 O6 172 15.999400 -0.847600 -9.3071E+00 1.4072E+01 9.0763E+00 H1 173 1.008000 0.423800 -9.6328E+00 1.3617E+01 9.9048E+00 H2 174 1.008000 0.423800 -1.0087E+01 1.4433E+01 8.5658E+00 O6 175 15.999400 -0.847600 -9.4902E+00 1.8589E+01 -2.2389E+00 H1 176 1.008000 0.423800 -9.1882E+00 1.7908E+01 -2.9069E+00 H2 177 1.008000 0.423800 -8.8675E+00 1.8587E+01 -1.4565E+00 O6 178 15.999400 -0.847600 4.7274E+00 1.7486E+01 2.9492E+00 H1 179 1.008000 0.423800 4.8277E+00 1.7779E+01 3.8999E+00 H2 180 1.008000 0.423800 5.6310E+00 1.7316E+01 2.5557E+00 O6 181 15.999400 -0.847600 1.3594E+01 6.5168E+00 -1.1192E+01 H1 182 1.008000 0.423800 1.3628E+01 6.4403E+00 -1.0196E+01 H2 183 1.008000 0.423800 1.4508E+01 6.3649E+00 -1.1570E+01 O6 184 15.999400 -0.847600 -1.0895E+01 -8.4302E+00 1.6827E+01 H1 185 1.008000 0.423800 -1.0740E+01 -7.5644E+00 1.6351E+01 H2 186 1.008000 0.423800 -1.1870E+01 -8.6512E+00 1.6808E+01 O6 187 15.999400 -0.847600 3.9903E+00 -5.9835E+00 1.7922E+01 H1 188 1.008000 0.423800 3.6434E+00 -6.0171E+00 1.6985E+01 H2 189 1.008000 0.423800 3.5726E+00 -5.2135E+00 1.8405E+01 O6 190 15.999400 -0.847600 -1.1547E+01 -1.6368E+01 -1.8519E+01 H1 191 1.008000 0.423800 -1.1958E+01 -1.6919E+01 -1.7793E+01 H2 192 1.008000 0.423800 -1.1635E+01 -1.5398E+01 -1.8291E+01 O6 193 15.999400 -0.847600 -9.2945E+00 1.9477E+01 -1.8303E+01 H1 194 1.008000 0.423800 -9.5915E+00 -1.9458E+01 -1.9244E+01 H2 195 1.008000 0.423800 -1.0092E+01 1.9293E+01 -1.7729E+01 O6 196 15.999400 -0.847600 -7.0997E+00 1.9347E+01 -4.3677E+00 H1 197 1.008000 0.423800 -7.2245E+00 -1.8820E+01 -4.0224E+00 H2 198 1.008000 0.423800 -7.5810E+00 1.9248E+01 -5.2386E+00 O6 199 15.999400 -0.847600 -7.0282E+00 -9.9893E+00 -3.0234E+00 H1 200 1.008000 0.423800 -7.8467E+00 -1.0493E+01 -3.2993E+00 H2 201 1.008000 0.423800 -6.5937E+00 -1.0455E+01 -2.2528E+00 O6 202 15.999400 -0.847600 1.8662E+01 4.8478E+00 -1.1654E+01 H1 203 1.008000 0.423800 -1.9526E+01 5.2405E+00 -1.1522E+01 H2 204 1.008000 0.423800 1.8386E+01 4.3591E+00 -1.0826E+01 O6 205 15.999400 -0.847600 1.2215E+01 1.4184E+00 7.7679E+00 H1 206 1.008000 0.423800 1.2390E+01 1.3793E+00 8.7518E+00 H2 207 1.008000 0.423800 1.2984E+01 1.0088E+00 7.2766E+00 O6 208 15.999400 -0.847600 1.6419E+01 6.6990E+00 -5.5850E+00 H1 209 1.008000 0.423800 1.5554E+01 7.1410E+00 -5.8245E+00 H2 210 1.008000 0.423800 1.7031E+01 6.7141E+00 -6.3755E+00 O6 211 15.999400 -0.847600 4.1478E+00 -1.5650E+01 -1.7161E+00 H1 212 1.008000 0.423800 4.1064E+00 -1.4844E+01 -1.1269E+00 H2 213 1.008000 0.423800 5.0841E+00 -1.5776E+01 -2.0440E+00 O6 214 15.999400 -0.847600 -1.3511E+00 -5.9767E+00 -5.3027E+00 H1 215 1.008000 0.423800 -1.9641E+00 -5.5827E+00 -4.6178E+00 H2 216 1.008000 0.423800 -1.6711E+00 -5.7303E+00 -6.2175E+00 O6 217 15.999400 -0.847600 1.5620E+01 -1.5153E+01 -2.5020E+00 H1 218 1.008000 0.423800 1.6394E+01 -1.5262E+01 -1.8788E+00 H2 219 1.008000 0.423800 1.5876E+01 -1.5478E+01 -3.4121E+00 O6 220 15.999400 -0.847600 7.5392E+00 -6.7572E+00 3.1266E+00 H1 221 1.008000 0.423800 7.9746E+00 -5.8715E+00 2.9654E+00 H2 222 1.008000 0.423800 7.8964E+00 -7.1553E+00 3.9715E+00 O6 223 15.999400 -0.847600 6.9247E+00 1.6407E+01 1.2689E+01 H1 224 1.008000 0.423800 7.4901E+00 1.5719E+01 1.2234E+01 H2 225 1.008000 0.423800 6.3549E+00 1.5965E+01 1.3381E+01 O6 226 15.999400 -0.847600 -1.2781E+01 9.0817E+00 1.6358E+01 H1 227 1.008000 0.423800 -1.2612E+01 9.0021E+00 1.7340E+01 H2 228 1.008000 0.423800 -1.3586E+01 9.6544E+00 1.6203E+01 O6 229 15.999400 -0.847600 1.1023E+00 1.3477E+01 -1.4618E+01 H1 230 1.008000 0.423800 1.8514E+00 1.3347E+01 -1.3968E+01 H2 231 1.008000 0.423800 5.1951E-01 1.2664E+01 -1.4622E+01 O6 232 15.999400 -0.847600 -1.8473E+01 -3.3495E+00 -1.0566E+01 H1 233 1.008000 0.423800 -1.7769E+01 -2.6416E+00 -1.0630E+01 H2 234 1.008000 0.423800 -1.8297E+01 -3.9235E+00 -9.7668E+00 O6 235 15.999400 -0.847600 1.3596E+01 -1.3120E+01 -2.2611E-01 H1 236 1.008000 0.423800 1.3949E+01 -1.2853E+01 -1.1228E+00 H2 237 1.008000 0.423800 1.3468E+01 -1.4111E+01 -2.0089E-01 O6 238 15.999400 -0.847600 1.0890E+01 -5.3617E+00 1.1961E+01 H1 239 1.008000 0.423800 1.0216E+01 -6.0824E+00 1.1798E+01 H2 240 1.008000 0.423800 1.0443E+01 -4.4687E+00 1.1901E+01 O6 241 15.999400 -0.847600 -1.8018E+01 2.3910E+00 -1.2305E+01 H1 242 1.008000 0.423800 -1.7618E+01 3.2578E+00 -1.2604E+01 H2 243 1.008000 0.423800 -1.8775E+01 2.1469E+00 -1.2911E+01 O6 244 15.999400 -0.847600 -1.5077E+01 -1.6617E+01 6.7639E+00 H1 245 1.008000 0.423800 -1.4434E+01 -1.5890E+01 6.5234E+00 H2 246 1.008000 0.423800 -1.5915E+01 -1.6214E+01 7.1319E+00 O6 247 15.999400 -0.847600 -4.2763E-02 -4.7130E+00 -8.5808E+00 H1 248 1.008000 0.423800 5.9478E-01 -5.4791E+00 -8.6624E+00 H2 249 1.008000 0.423800 -8.3970E-01 -4.9980E+00 -8.0482E+00 O6 250 15.999400 -0.847600 -2.5721E+00 1.1283E+01 -1.1128E+01 H1 251 1.008000 0.423800 -3.2544E+00 1.1917E+01 -1.0765E+01 H2 252 1.008000 0.423800 -2.7404E+00 1.1135E+01 -1.2103E+01 O6 253 15.999400 -0.847600 9.8462E+00 2.6652E+00 -1.4394E+01 H1 254 1.008000 0.423800 9.6225E+00 1.7604E+00 -1.4032E+01 H2 255 1.008000 0.423800 1.0653E+01 3.0229E+00 -1.3924E+01 O6 256 15.999400 -0.847600 2.7514E+00 1.5573E+01 2.6931E+00 H1 257 1.008000 0.423800 3.5746E+00 1.6106E+01 2.8883E+00 H2 258 1.008000 0.423800 2.5141E+00 1.5668E+01 1.7264E+00 O6 259 15.999400 -0.847600 -2.6783E-01 1.3296E+01 -5.8496E-01 H1 260 1.008000 0.423800 -2.6322E-01 1.2351E+01 -2.5797E-01 H2 261 1.008000 0.423800 -1.4226E-01 1.3917E+01 1.8875E-01 O6 262 15.999400 -0.847600 4.4233E+00 -6.4158E-01 8.2909E+00 H1 263 1.008000 0.423800 4.7128E+00 -3.0438E-01 9.1868E+00 H2 264 1.008000 0.423800 4.2827E+00 1.3207E-01 7.6731E+00 O6 265 15.999400 -0.847600 1.9176E+01 -4.9548E+00 -6.4321E+00 H1 266 1.008000 0.423800 1.8908E+01 -4.1285E+00 -5.9363E+00 H2 267 1.008000 0.423800 1.8742E+01 -5.7513E+00 -6.0104E+00 O6 268 15.999400 -0.847600 -3.5578E+00 1.0831E+01 7.8151E+00 H1 269 1.008000 0.423800 -3.5827E+00 1.1722E+01 8.2679E+00 H2 270 1.008000 0.423800 -3.1534E+00 1.0930E+01 6.9059E+00 O6 271 15.999400 -0.847600 5.7914E+00 -2.6394E+00 -1.9508E+01 H1 272 1.008000 0.423800 5.6573E+00 -2.0995E+00 -1.8677E+01 H2 273 1.008000 0.423800 6.1199E+00 -2.0452E+00 1.8855E+01 O6 274 15.999400 -0.847600 -7.1858E+00 -1.0622E+01 8.1006E-01 H1 275 1.008000 0.423800 -7.9638E+00 -1.0103E+01 4.5567E-01 H2 276 1.008000 0.423800 -6.7215E+00 -1.1084E+01 5.4555E-02 O6 277 15.999400 -0.847600 9.7915E+00 -6.2828E-01 -1.7061E+01 H1 278 1.008000 0.423800 1.0649E+01 -9.5850E-01 -1.6666E+01 H2 279 1.008000 0.423800 9.6446E+00 -1.0636E+00 -1.7949E+01 O6 280 15.999400 -0.847600 -8.5241E-01 1.1042E+00 1.1746E+01 H1 281 1.008000 0.423800 -1.5092E+00 6.4711E-01 1.1146E+01 H2 282 1.008000 0.423800 6.2726E-02 7.3723E-01 1.1579E+01 O6 283 15.999400 -0.847600 4.7369E+00 -1.4495E+00 1.3594E+01 H1 284 1.008000 0.423800 4.5791E+00 -2.0136E+00 1.4405E+01 H2 285 1.008000 0.423800 4.0904E+00 -6.8663E-01 1.3588E+01 O6 286 15.999400 -0.847600 -5.3803E+00 -6.2994E+00 -1.9023E+01 H1 287 1.008000 0.423800 -6.1832E+00 -5.9284E+00 -1.8557E+01 H2 288 1.008000 0.423800 -5.1184E+00 -7.1658E+00 -1.8598E+01 O6 289 15.999400 -0.847600 -9.3327E+00 -9.5714E+00 -1.8400E-01 H1 290 1.008000 0.423800 -9.4939E+00 -1.0273E+01 -8.7848E-01 H2 291 1.008000 0.423800 -1.0140E+01 -9.4897E+00 4.0075E-01 O6 292 15.999400 -0.847600 -6.7563E+00 -6.4388E+00 -2.3621E+00 H1 293 1.008000 0.423800 -7.5009E+00 -6.8856E+00 -1.8661E+00 H2 294 1.008000 0.423800 -6.2967E+00 -7.1075E+00 -2.9464E+00 O6 295 15.999400 -0.847600 1.8122E+01 1.4840E+01 -1.5570E+00 H1 296 1.008000 0.423800 1.7642E+01 1.5717E+01 -1.5622E+00 H2 297 1.008000 0.423800 1.8513E+01 1.4679E+01 -6.5091E-01 O6 298 15.999400 -0.847600 1.3146E+01 1.4752E+01 -1.5482E+01 H1 299 1.008000 0.423800 1.2655E+01 1.3899E+01 -1.5660E+01 H2 300 1.008000 0.423800 1.3054E+01 1.5359E+01 -1.6272E+01 O6 301 15.999400 -0.847600 7.9751E+00 -7.0599E+00 -1.5433E+01 H1 302 1.008000 0.423800 7.8081E+00 -6.8201E+00 -1.4477E+01 H2 303 1.008000 0.423800 8.9279E+00 -6.8634E+00 -1.5665E+01 O6 304 15.999400 -0.847600 1.0988E+01 -1.0912E+01 -9.2364E-01 H1 305 1.008000 0.423800 1.0234E+01 -1.1380E+01 -4.6293E-01 H2 306 1.008000 0.423800 1.1663E+01 -1.1585E+01 -1.2278E+00 O6 307 15.999400 -0.847600 3.5034E+00 -1.5001E+01 1.6272E+01 H1 308 1.008000 0.423800 4.4664E+00 -1.4756E+01 1.6383E+01 H2 309 1.008000 0.423800 2.9505E+00 -1.4169E+01 1.6226E+01 O6 310 15.999400 -0.847600 1.0677E+01 -3.4775E+00 -9.4920E+00 H1 311 1.008000 0.423800 9.8263E+00 -3.6446E+00 -9.9899E+00 H2 312 1.008000 0.423800 1.0725E+01 -2.5144E+00 -9.2271E+00 O6 313 15.999400 -0.847600 -1.3262E+01 -4.7839E+00 8.2971E+00 H1 314 1.008000 0.423800 -1.2616E+01 -5.5266E+00 8.1200E+00 H2 315 1.008000 0.423800 -1.2823E+01 -3.9070E+00 8.1013E+00 O6 316 15.999400 -0.847600 -9.1188E+00 1.8336E+01 -9.8306E+00 H1 317 1.008000 0.423800 -8.5277E+00 1.8745E+01 -1.0526E+01 H2 318 1.008000 0.423800 -9.4921E+00 1.9055E+01 -9.2448E+00 O6 319 15.999400 -0.847600 1.3409E+01 -6.9787E+00 -1.7508E+01 H1 320 1.008000 0.423800 1.3457E+01 -6.6789E+00 -1.8461E+01 H2 321 1.008000 0.423800 1.3100E+01 -7.9292E+00 -1.7473E+01 O6 322 15.999400 -0.847600 1.7796E+01 1.5243E+01 -1.7107E+01 H1 323 1.008000 0.423800 1.7113E+01 1.4942E+01 -1.7772E+01 H2 324 1.008000 0.423800 1.8595E+01 1.5602E+01 -1.7588E+01 O6 325 15.999400 -0.847600 3.2336E+00 -8.2111E+00 -1.6003E+01 H1 326 1.008000 0.423800 3.4774E+00 -7.2873E+00 -1.6298E+01 H2 327 1.008000 0.423800 2.3783E+00 -8.1809E+00 -1.5486E+01 O6 328 15.999400 -0.847600 2.9499E+00 1.6558E+01 -3.1981E+00 H1 329 1.008000 0.423800 3.8153E+00 1.6497E+01 -2.7006E+00 H2 330 1.008000 0.423800 2.5882E+00 1.5638E+01 -3.3502E+00 O6 331 15.999400 -0.847600 -1.9415E+01 7.1550E-01 -9.2733E+00 H1 332 1.008000 0.423800 1.9449E+01 5.8286E-01 -8.3101E+00 H2 333 1.008000 0.423800 -1.8804E+01 -1.7874E-02 -9.5720E+00 O6 334 15.999400 -0.847600 -1.5711E+01 -1.6483E+01 -9.2058E+00 H1 335 1.008000 0.423800 -1.5348E+01 -1.6259E+01 -8.3014E+00 H2 336 1.008000 0.423800 -1.6153E+01 -1.7380E+01 -9.1745E+00 O6 337 15.999400 -0.847600 1.0431E+00 -5.2332E+00 -1.8161E+01 H1 338 1.008000 0.423800 9.9470E-01 -5.9418E+00 -1.7457E+01 H2 339 1.008000 0.423800 1.4438E+00 -4.4037E+00 -1.7772E+01 O6 340 15.999400 -0.847600 2.0580E+00 4.7681E+00 1.6919E+01 H1 341 1.008000 0.423800 1.1296E+00 4.7394E+00 1.7289E+01 H2 342 1.008000 0.423800 2.2471E+00 3.9181E+00 1.6427E+01 O6 343 15.999400 -0.847600 -2.3235E+00 -1.7948E+01 -1.5632E+00 H1 344 1.008000 0.423800 -2.5212E+00 -1.6972E+01 -1.4692E+00 H2 345 1.008000 0.423800 -1.6949E+00 -1.8088E+01 -2.3281E+00 O6 346 15.999400 -0.847600 -1.9528E+01 -9.9104E+00 1.4481E+00 H1 347 1.008000 0.423800 1.8608E+01 -9.8414E+00 1.7165E+00 H2 348 1.008000 0.423800 -1.9147E+01 -1.0768E+01 1.7938E+00 O6 349 15.999400 -0.847600 4.0173E-01 -1.1026E+01 1.1682E+01 H1 350 1.008000 0.423800 3.7386E-01 -1.0312E+01 1.2381E+01 H2 351 1.008000 0.423800 -4.5300E-01 -1.1545E+01 1.1701E+01 O6 352 15.999400 -0.847600 -1.2652E+01 -1.7266E+01 -1.3724E+01 H1 353 1.008000 0.423800 -1.3631E+01 -1.7329E+01 -1.3530E+01 H2 354 1.008000 0.423800 -1.2427E+01 -1.6334E+01 -1.4007E+01 O6 355 15.999400 -0.847600 1.1797E+01 -1.5528E+01 -1.1449E+01 H1 356 1.008000 0.423800 1.0889E+01 -1.5404E+01 -1.1049E+01 H2 357 1.008000 0.423800 1.1770E+01 -1.6276E+01 -1.2112E+01 O6 358 15.999400 -0.847600 -1.4201E+01 -1.0892E+01 9.4538E+00 H1 359 1.008000 0.423800 -1.3572E+01 -1.1436E+01 8.8974E+00 H2 360 1.008000 0.423800 -1.5112E+01 -1.0913E+01 9.0431E+00 O6 361 15.999400 -0.847600 -1.3256E+01 -8.2989E+00 9.3753E+00 H1 362 1.008000 0.423800 -1.4049E+01 -7.7664E+00 9.6700E+00 H2 363 1.008000 0.423800 -1.3499E+01 -9.2682E+00 9.3403E+00 O6 364 15.999400 -0.847600 1.2323E+01 1.8524E+00 -6.0874E+00 H1 365 1.008000 0.423800 1.1579E+01 2.2921E+00 -5.5851E+00 H2 366 1.008000 0.423800 1.2145E+01 8.7086E-01 -6.1563E+00 O6 367 15.999400 -0.847600 4.1229E+00 -2.8139E+00 -8.6029E+00 H1 368 1.008000 0.423800 3.4435E+00 -2.0840E+00 -8.5278E+00 H2 369 1.008000 0.423800 3.6667E+00 -3.7016E+00 -8.5398E+00 O6 370 15.999400 -0.847600 -1.9330E+01 1.2076E+01 -5.9653E+00 H1 371 1.008000 0.423800 -1.9541E+01 1.1428E+01 -6.6973E+00 H2 372 1.008000 0.423800 1.9250E+01 1.1832E+01 -5.1451E+00 O6 373 15.999400 -0.847600 1.0183E+01 -1.3110E+01 -1.6147E+01 H1 374 1.008000 0.423800 1.1063E+01 -1.2847E+01 -1.6541E+01 H2 375 1.008000 0.423800 9.4867E+00 -1.3121E+01 -1.6865E+01 O6 376 15.999400 -0.847600 -1.8105E+01 1.8940E+01 -1.6848E+01 H1 377 1.008000 0.423800 -1.7867E+01 -1.9243E+01 -1.7173E+01 H2 378 1.008000 0.423800 -1.7846E+01 1.8851E+01 -1.5886E+01 O6 379 15.999400 -0.847600 -1.8006E+01 -2.7906E+00 -1.8721E+01 H1 380 1.008000 0.423800 -1.7116E+01 -3.0829E+00 -1.9072E+01 H2 381 1.008000 0.423800 -1.7885E+01 -1.9953E+00 -1.8127E+01 O6 382 15.999400 -0.847600 6.5061E+00 1.4410E+01 -1.7850E+01 H1 383 1.008000 0.423800 5.8306E+00 1.4207E+01 -1.8559E+01 H2 384 1.008000 0.423800 6.8831E+00 1.5323E+01 -1.8001E+01 O6 385 15.999400 -0.847600 6.7455E+00 -1.4667E+01 1.9359E+01 H1 386 1.008000 0.423800 6.4956E+00 -1.4005E+01 1.8652E+01 H2 387 1.008000 0.423800 6.1399E+00 -1.5460E+01 1.9302E+01 O6 388 15.999400 -0.847600 -1.3514E+01 1.5155E+01 5.9931E+00 H1 389 1.008000 0.423800 -1.3850E+01 1.6028E+01 6.3461E+00 H2 390 1.008000 0.423800 -1.4204E+01 1.4752E+01 5.3909E+00 O6 391 15.999400 -0.847600 -5.5034E+00 -4.4287E+00 -1.2490E+01 H1 392 1.008000 0.423800 -5.1355E+00 -4.1028E+00 -1.3361E+01 H2 393 1.008000 0.423800 -4.7529E+00 -4.7385E+00 -1.1906E+01 O6 394 15.999400 -0.847600 -1.2773E+01 -3.9461E+00 -1.4069E+01 H1 395 1.008000 0.423800 -1.2933E+01 -4.7397E+00 -1.4656E+01 H2 396 1.008000 0.423800 -1.1791E+01 -3.7672E+00 -1.4011E+01 O6 397 15.999400 -0.847600 1.2784E+01 -1.3746E+01 1.6891E+01 H1 398 1.008000 0.423800 1.2252E+01 -1.2981E+01 1.6528E+01 H2 399 1.008000 0.423800 1.2683E+01 -1.3780E+01 1.7885E+01 O6 400 15.999400 -0.847600 1.0266E+01 -3.4377E+00 -5.8307E+00 H1 401 1.008000 0.423800 9.6871E+00 -3.2830E+00 -5.0303E+00 H2 402 1.008000 0.423800 9.7910E+00 -4.0366E+00 -6.4752E+00 O6 403 15.999400 -0.847600 -6.1750E-01 1.0488E+01 -6.9840E-01 H1 404 1.008000 0.423800 -1.3024E+00 1.0040E+01 -1.2378E-01 H2 405 1.008000 0.423800 -8.2760E-01 1.0319E+01 -1.6612E+00 O6 406 15.999400 -0.847600 -3.8837E+00 -1.5579E+01 3.0710E+00 H1 407 1.008000 0.423800 -3.0418E+00 -1.6119E+01 3.0589E+00 H2 408 1.008000 0.423800 -3.7329E+00 -1.4716E+01 2.5905E+00 O6 409 15.999400 -0.847600 -1.6460E+01 1.9285E+01 5.1362E+00 H1 410 1.008000 0.423800 -1.6121E+01 1.9469E+01 6.0587E+00 H2 411 1.008000 0.423800 -1.6406E+01 1.8304E+01 4.9507E+00 O6 412 15.999400 -0.847600 -1.8044E+01 -1.1830E+01 -9.5458E+00 H1 413 1.008000 0.423800 -1.8348E+01 -1.2502E+01 -1.0220E+01 H2 414 1.008000 0.423800 -1.7758E+01 -1.2300E+01 -8.7112E+00 O6 415 15.999400 -0.847600 -7.9296E+00 1.0869E+00 -6.4672E+00 H1 416 1.008000 0.423800 -7.2260E+00 1.7760E+00 -6.6408E+00 H2 417 1.008000 0.423800 -7.6055E+00 1.9376E-01 -6.7791E+00 O6 418 15.999400 -0.847600 -1.3272E+01 -5.3511E+00 1.6491E+01 H1 419 1.008000 0.423800 -1.3355E+01 -4.5412E+00 1.5910E+01 H2 420 1.008000 0.423800 -1.4182E+01 -5.6543E+00 1.6772E+01 O6 421 15.999400 -0.847600 3.1549E+00 -1.7849E+01 -1.4556E+01 H1 422 1.008000 0.423800 3.2590E+00 -1.7745E+01 -1.3567E+01 H2 423 1.008000 0.423800 3.3217E+00 -1.6970E+01 -1.5004E+01 O6 424 15.999400 -0.847600 8.9211E+00 -1.8340E+01 -3.7936E+00 H1 425 1.008000 0.423800 9.7369E+00 -1.7762E+01 -3.7776E+00 H2 426 1.008000 0.423800 8.2779E+00 -1.8028E+01 -3.0943E+00 O6 427 15.999400 -0.847600 -1.7216E+01 -1.9296E+01 -6.2713E+00 H1 428 1.008000 0.423800 -1.7368E+01 -1.8343E+01 -6.0120E+00 H2 429 1.008000 0.423800 -1.7663E+01 1.9201E+01 -5.6085E+00 O6 430 15.999400 -0.847600 1.6160E+00 -4.4292E+00 -3.0989E+00 H1 431 1.008000 0.423800 2.0774E+00 -4.9350E+00 -2.3701E+00 H2 432 1.008000 0.423800 1.6466E+00 -4.9614E+00 -3.9450E+00 O6 433 15.999400 -0.847600 -1.9012E+01 5.2453E+00 -8.1562E+00 H1 434 1.008000 0.423800 -1.8215E+01 5.8465E+00 -8.0904E+00 H2 435 1.008000 0.423800 -1.8769E+01 4.4267E+00 -8.6769E+00 O6 436 15.999400 -0.847600 2.0867E+00 -1.0872E+01 6.4775E+00 H1 437 1.008000 0.423800 2.6070E+00 -1.1725E+01 6.5238E+00 H2 438 1.008000 0.423800 2.7007E+00 -1.0120E+01 6.2394E+00 O6 439 15.999400 -0.847600 1.0120E+01 -2.2883E+00 1.0228E+01 H1 440 1.008000 0.423800 1.0924E+01 -2.8471E+00 1.0025E+01 H2 441 1.008000 0.423800 9.4832E+00 -2.8132E+00 1.0793E+01 O6 442 15.999400 -0.847600 1.1464E+01 1.3061E+01 1.6680E+01 H1 443 1.008000 0.423800 1.0466E+01 1.3108E+01 1.6637E+01 H2 444 1.008000 0.423800 1.1789E+01 1.2329E+01 1.6082E+01 O6 445 15.999400 -0.847600 -1.0176E+01 -5.0609E+00 4.8888E+00 H1 446 1.008000 0.423800 -1.0212E+01 -4.2715E+00 5.5017E+00 H2 447 1.008000 0.423800 -9.3602E+00 -4.9993E+00 4.3138E+00 O6 448 15.999400 -0.847600 1.7173E+01 1.9335E+01 6.2991E+00 H1 449 1.008000 0.423800 1.7330E+01 1.8353E+01 6.4049E+00 H2 450 1.008000 0.423800 1.7554E+01 -1.9278E+01 7.0865E+00 O6 451 15.999400 -0.847600 -2.4918E+00 -1.3681E+01 1.8168E+01 H1 452 1.008000 0.423800 -1.9701E+00 -1.4525E+01 1.8293E+01 H2 453 1.008000 0.423800 -3.1905E+00 -1.3613E+01 1.8880E+01 O6 454 15.999400 -0.847600 2.5135E-01 1.1281E+01 -1.8216E+01 H1 455 1.008000 0.423800 -4.4908E-01 1.1005E+01 -1.8874E+01 H2 456 1.008000 0.423800 7.8649E-01 1.0481E+01 -1.7944E+01 O6 457 15.999400 -0.847600 -2.7721E+00 -6.1103E+00 -1.4095E+01 H1 458 1.008000 0.423800 -3.5486E+00 -6.7402E+00 -1.4074E+01 H2 459 1.008000 0.423800 -2.2055E+00 -6.2526E+00 -1.3283E+01 O6 460 15.999400 -0.847600 -9.8349E+00 -1.3203E+01 9.5300E-01 H1 461 1.008000 0.423800 -9.1426E+00 -1.3789E+01 1.3742E+00 H2 462 1.008000 0.423800 -1.0418E+01 -1.2811E+01 1.6648E+00 O6 463 15.999400 -0.847600 -9.0835E-01 -1.3462E+01 -1.6964E+01 H1 464 1.008000 0.423800 2.1855E-02 -1.3489E+01 -1.6598E+01 H2 465 1.008000 0.423800 -1.0633E+00 -1.2584E+01 -1.7417E+01 O6 466 15.999400 -0.847600 -1.7101E+01 -9.7273E+00 5.7383E+00 H1 467 1.008000 0.423800 -1.6419E+01 -9.1185E+00 6.1439E+00 H2 468 1.008000 0.423800 -1.7480E+01 -9.3023E+00 4.9165E+00 O6 469 15.999400 -0.847600 -1.8290E+01 1.5508E+01 2.6605E+00 H1 470 1.008000 0.423800 -1.7985E+01 1.6460E+01 2.6942E+00 H2 471 1.008000 0.423800 -1.7529E+01 1.4906E+01 2.9007E+00 O6 472 15.999400 -0.847600 -9.6960E+00 -1.1129E+01 -3.7105E+00 H1 473 1.008000 0.423800 -1.0452E+01 -1.0748E+01 -4.2424E+00 H2 474 1.008000 0.423800 -1.0045E+01 -1.1489E+01 -2.8453E+00 O6 475 15.999400 -0.847600 5.4659E+00 1.5230E+01 -1.0746E+01 H1 476 1.008000 0.423800 4.7721E+00 1.5748E+01 -1.1245E+01 H2 477 1.008000 0.423800 6.3573E+00 1.5362E+01 -1.1179E+01 O6 478 15.999400 -0.847600 9.5574E+00 -7.6476E+00 1.1865E+01 H1 479 1.008000 0.423800 8.5905E+00 -7.5207E+00 1.2086E+01 H2 480 1.008000 0.423800 9.9391E+00 -8.3707E+00 1.2440E+01 O6 481 15.999400 -0.847600 -1.2524E+01 1.3034E+01 -1.4299E+00 H1 482 1.008000 0.423800 -1.1951E+01 1.3583E+01 -2.0389E+00 H2 483 1.008000 0.423800 -1.1975E+01 1.2706E+01 -6.6137E-01 O6 484 15.999400 -0.847600 1.2564E+01 3.0755E+00 -1.3141E+01 H1 485 1.008000 0.423800 1.3334E+01 2.5326E+00 -1.3476E+01 H2 486 1.008000 0.423800 1.2241E+01 2.6953E+00 -1.2275E+01 O6 487 15.999400 -0.847600 -2.9739E+00 -1.2832E-02 3.0386E+00 H1 488 1.008000 0.423800 -2.7996E+00 6.4011E-01 3.7757E+00 H2 489 1.008000 0.423800 -2.5586E+00 -8.9308E-01 3.2680E+00 O6 490 15.999400 -0.847600 -1.4509E+01 -1.8323E+01 1.4777E+00 H1 491 1.008000 0.423800 -1.5454E+01 -1.8568E+01 1.2617E+00 H2 492 1.008000 0.423800 -1.4344E+01 -1.7371E+01 1.2186E+00 O6 493 15.999400 -0.847600 -1.5499E+01 -6.4184E+00 -1.1741E+01 H1 494 1.008000 0.423800 -1.4813E+01 -6.8420E+00 -1.2333E+01 H2 495 1.008000 0.423800 -1.6389E+01 -6.8458E+00 -1.1903E+01 O6 496 15.999400 -0.847600 -1.5102E+01 -7.5400E+00 8.3702E-01 H1 497 1.008000 0.423800 -1.5803E+01 -6.8477E+00 1.0089E+00 H2 498 1.008000 0.423800 -1.4234E+01 -7.0903E+00 6.2823E-01 O6 499 15.999400 -0.847600 -1.3346E+01 -1.8259E+01 -6.8238E+00 H1 500 1.008000 0.423800 -1.2632E+01 -1.7612E+01 -6.5593E+00 H2 501 1.008000 0.423800 -1.4190E+01 -1.7761E+01 -7.0239E+00 O6 502 15.999400 -0.847600 1.8943E+01 8.2184E+00 -4.2905E-01 H1 503 1.008000 0.423800 1.8453E+01 7.5970E+00 -1.0401E+00 H2 504 1.008000 0.423800 -1.9225E+01 7.8791E+00 -2.8434E-01 O6 505 15.999400 -0.847600 -1.0869E+01 -1.2191E+00 1.0706E+01 H1 506 1.008000 0.423800 -1.0031E+01 -1.7123E+00 1.0474E+01 H2 507 1.008000 0.423800 -1.0821E+01 -2.8927E-01 1.0341E+01 O6 508 15.999400 -0.847600 1.6114E+01 -5.8750E+00 4.4342E+00 H1 509 1.008000 0.423800 1.5440E+01 -6.3267E+00 5.0189E+00 H2 510 1.008000 0.423800 1.6879E+01 -5.5554E+00 4.9930E+00 O6 511 15.999400 -0.847600 -4.0963E+00 -6.7779E+00 1.5518E+01 H1 512 1.008000 0.423800 -3.2297E+00 -6.6292E+00 1.5041E+01 H2 513 1.008000 0.423800 -4.8222E+00 -6.2682E+00 1.5056E+01 O6 514 15.999400 -0.847600 1.0293E+01 1.4877E+01 -8.2966E-01 H1 515 1.008000 0.423800 9.3998E+00 1.5264E+01 -5.9999E-01 H2 516 1.008000 0.423800 1.0226E+01 1.3880E+01 -8.5741E-01 O6 517 15.999400 -0.847600 4.8062E+00 -1.5514E+01 5.9726E+00 H1 518 1.008000 0.423800 5.6935E+00 -1.5181E+01 6.2925E+00 H2 519 1.008000 0.423800 4.4661E+00 -1.6213E+01 6.6012E+00 O6 520 15.999400 -0.847600 5.1201E+00 1.8481E+01 -1.0773E+01 H1 521 1.008000 0.423800 5.4640E+00 1.9333E+01 -1.1168E+01 H2 522 1.008000 0.423800 4.8348E+00 1.7865E+01 -1.1507E+01 O6 523 15.999400 -0.847600 -1.0464E+01 1.6127E+01 1.7580E+01 H1 524 1.008000 0.423800 -1.1446E+01 1.6282E+01 1.7475E+01 H2 525 1.008000 0.423800 -9.9640E+00 1.6938E+01 1.7277E+01 O6 526 15.999400 -0.847600 3.5340E+00 -3.0580E-01 1.7034E+01 H1 527 1.008000 0.423800 3.0066E+00 -1.8931E-01 1.7876E+01 H2 528 1.008000 0.423800 2.9099E+00 -4.6314E-01 1.6269E+01 O6 529 15.999400 -0.847600 -1.1239E+01 1.6567E+01 -1.6585E+00 H1 530 1.008000 0.423800 -1.1206E+01 1.5714E+01 -2.1793E+00 H2 531 1.008000 0.423800 -1.0466E+01 1.7146E+01 -1.9181E+00 O6 532 15.999400 -0.847600 7.6136E+00 7.0374E+00 -4.9810E+00 H1 533 1.008000 0.423800 7.4925E+00 7.4379E+00 -5.8893E+00 H2 534 1.008000 0.423800 7.0203E+00 7.5078E+00 -4.3277E+00 O6 535 15.999400 -0.847600 -1.2136E+01 8.3905E+00 -1.5288E+01 H1 536 1.008000 0.423800 -1.1340E+01 8.1520E+00 -1.5845E+01 H2 537 1.008000 0.423800 -1.2180E+01 7.7843E+00 -1.4494E+01 O6 538 15.999400 -0.847600 5.3612E+00 -1.3533E-01 -5.8128E-03 H1 539 1.008000 0.423800 4.4453E+00 2.6311E-01 4.3250E-02 H2 540 1.008000 0.423800 5.7430E+00 -2.0767E-01 9.1561E-01 O6 541 15.999400 -0.847600 9.0020E+00 -1.1323E+00 7.8691E+00 H1 542 1.008000 0.423800 9.4880E+00 -1.5314E+00 8.6466E+00 H2 543 1.008000 0.423800 9.1490E+00 -1.4321E-01 7.8562E+00 O6 544 15.999400 -0.847600 1.8874E+01 -1.5796E+01 4.9614E+00 H1 545 1.008000 0.423800 1.9461E+01 -1.6357E+01 5.5444E+00 H2 546 1.008000 0.423800 1.7920E+01 -1.5910E+01 5.2401E+00 O6 547 15.999400 -0.847600 1.9311E+01 1.0376E+01 -8.1407E+00 H1 548 1.008000 0.423800 1.8318E+01 1.0317E+01 -8.0464E+00 H2 549 1.008000 0.423800 1.9539E+01 1.0776E+01 -9.0288E+00 O6 550 15.999400 -0.847600 1.9305E-01 -2.6618E+00 6.0744E-03 H1 551 1.008000 0.423800 4.1460E-02 -1.9115E+00 6.4962E-01 H2 552 1.008000 0.423800 7.6655E-01 -2.3429E+00 -7.4849E-01 O6 553 15.999400 -0.847600 1.3960E+01 -1.7187E+01 -4.7394E+00 H1 554 1.008000 0.423800 1.4591E+01 -1.7520E+01 -4.0387E+00 H2 555 1.008000 0.423800 1.3581E+01 -1.7963E+01 -5.2430E+00 O6 556 15.999400 -0.847600 8.7712E+00 4.1339E-01 2.9636E+00 H1 557 1.008000 0.423800 8.4807E+00 8.2680E-01 3.8265E+00 H2 558 1.008000 0.423800 9.2432E+00 1.0981E+00 2.4083E+00 O6 559 15.999400 -0.847600 -1.1121E+00 -1.3145E+01 6.2058E+00 H1 560 1.008000 0.423800 -4.4456E-01 -1.2929E+01 5.4932E+00 H2 561 1.008000 0.423800 -1.1792E+00 -1.2378E+01 6.8431E+00 O6 562 15.999400 -0.847600 -6.7678E+00 4.7756E+00 9.0161E+00 H1 563 1.008000 0.423800 -7.2460E+00 4.0256E+00 9.4731E+00 H2 564 1.008000 0.423800 -5.7868E+00 4.5827E+00 8.9968E+00 O6 565 15.999400 -0.847600 -1.9067E+01 5.7981E+00 1.7518E+01 H1 566 1.008000 0.423800 -1.9103E+01 6.5348E+00 1.8194E+01 H2 567 1.008000 0.423800 -1.8303E+01 5.9553E+00 1.6893E+01 O6 568 15.999400 -0.847600 4.0023E+00 -1.1137E+01 -1.6482E+01 H1 569 1.008000 0.423800 4.8984E+00 -1.1563E+01 -1.6607E+01 H2 570 1.008000 0.423800 4.1201E+00 -1.0163E+01 -1.6291E+01 O6 571 15.999400 -0.847600 -1.8369E+01 -1.7634E+01 6.6945E+00 H1 572 1.008000 0.423800 -1.8730E+01 -1.7746E+01 7.6203E+00 H2 573 1.008000 0.423800 -1.7708E+01 -1.8361E+01 6.5044E+00 O6 574 15.999400 -0.847600 6.3626E+00 1.2176E+01 5.4199E+00 H1 575 1.008000 0.423800 5.6197E+00 1.1754E+01 4.9003E+00 H2 576 1.008000 0.423800 6.9732E+00 1.1464E+01 5.7665E+00 O6 577 15.999400 -0.847600 4.1187E+00 1.2201E+00 1.1222E+01 H1 578 1.008000 0.423800 5.0815E+00 9.5191E-01 1.1256E+01 H2 579 1.008000 0.423800 3.7495E+00 1.2558E+00 1.2151E+01 O6 580 15.999400 -0.847600 -1.1990E+01 -1.7371E+01 1.3801E+01 H1 581 1.008000 0.423800 -1.2028E+01 -1.7727E+01 1.4734E+01 H2 582 1.008000 0.423800 -1.1508E+01 -1.6495E+01 1.3798E+01 O6 583 15.999400 -0.847600 -1.8665E+01 -9.3779E+00 1.0953E+01 H1 584 1.008000 0.423800 -1.8658E+01 -9.6259E+00 9.9845E+00 H2 585 1.008000 0.423800 -1.8766E+01 -1.0204E+01 1.1508E+01 O6 586 15.999400 -0.847600 -1.3873E+01 1.7684E+01 -1.9574E+00 H1 587 1.008000 0.423800 -1.3081E+01 1.7427E+01 -1.4028E+00 H2 588 1.008000 0.423800 -1.3562E+01 1.8139E+01 -2.7914E+00 O6 589 15.999400 -0.847600 1.5126E+01 4.3819E+00 -1.3309E+01 H1 590 1.008000 0.423800 1.4135E+01 4.3296E+00 -1.3434E+01 H2 591 1.008000 0.423800 1.5580E+01 4.2644E+00 -1.4192E+01 O6 592 15.999400 -0.847600 -1.1989E+01 8.5641E+00 1.2052E+01 H1 593 1.008000 0.423800 -1.2317E+01 9.4924E+00 1.1876E+01 H2 594 1.008000 0.423800 -1.2289E+01 8.2714E+00 1.2960E+01 O6 595 15.999400 -0.847600 6.3376E+00 5.1021E+00 -1.8628E+01 H1 596 1.008000 0.423800 5.9742E+00 5.4611E+00 -1.9488E+01 H2 597 1.008000 0.423800 5.8962E+00 5.5661E+00 -1.7860E+01 O6 598 15.999400 -0.847600 1.8887E+00 1.8792E+01 -8.0201E+00 H1 599 1.008000 0.423800 2.1684E+00 1.7927E+01 -8.4385E+00 H2 600 1.008000 0.423800 2.2214E+00 1.8829E+01 -7.0778E+00 O6 601 15.999400 -0.847600 -1.1053E+01 1.2425E+01 1.0653E+00 H1 602 1.008000 0.423800 -1.1277E+01 1.2944E+01 1.8900E+00 H2 603 1.008000 0.423800 -1.0903E+01 1.1466E+01 1.3058E+00 O6 604 15.999400 -0.847600 1.2407E+01 1.9611E+00 -1.0855E+01 H1 605 1.008000 0.423800 1.2853E+01 1.0686E+00 -1.0785E+01 H2 606 1.008000 0.423800 1.2617E+01 2.5027E+00 -1.0041E+01 O6 607 15.999400 -0.847600 1.2300E+01 1.8941E+01 1.8152E+01 H1 608 1.008000 0.423800 1.1805E+01 1.9211E+01 1.8978E+01 H2 609 1.008000 0.423800 1.3284E+01 1.8969E+01 1.8329E+01 O6 610 15.999400 -0.847600 1.8428E+01 -1.0857E+01 -1.4961E+01 H1 611 1.008000 0.423800 1.7753E+01 -1.0147E+01 -1.4760E+01 H2 612 1.008000 0.423800 1.8580E+01 -1.1413E+01 -1.4144E+01 O6 613 15.999400 -0.847600 -2.0056E+00 1.8794E+01 -3.9553E+00 H1 614 1.008000 0.423800 -1.0737E+00 1.8677E+01 -3.6122E+00 H2 615 1.008000 0.423800 -2.0082E+00 1.9476E+01 -4.6865E+00 O6 616 15.999400 -0.847600 7.7456E-02 1.1136E-01 -7.5763E+00 H1 617 1.008000 0.423800 -2.6500E-01 1.0498E+00 -7.6218E+00 H2 618 1.008000 0.423800 2.2932E-01 -1.4199E-01 -6.6209E+00 O6 619 15.999400 -0.847600 -1.2024E+01 -4.4289E+00 1.8144E+00 H1 620 1.008000 0.423800 -1.1727E+01 -5.1119E+00 2.4820E+00 H2 621 1.008000 0.423800 -1.1372E+01 -3.6703E+00 1.8021E+00 O6 622 15.999400 -0.847600 1.2687E+01 -2.0007E+00 -1.8835E+01 H1 623 1.008000 0.423800 1.3432E+01 -2.6396E+00 -1.9027E+01 H2 624 1.008000 0.423800 1.2588E+01 -1.8928E+00 -1.7846E+01 O6 625 15.999400 -0.847600 1.5924E+01 -1.9179E+01 2.6115E+00 H1 626 1.008000 0.423800 1.5549E+01 1.9016E+01 2.8236E+00 H2 627 1.008000 0.423800 1.6824E+01 -1.9085E+01 3.0358E+00 O6 628 15.999400 -0.847600 1.5466E+01 -1.9435E+01 -7.9502E+00 H1 629 1.008000 0.423800 1.5345E+01 1.8750E+01 -7.5601E+00 H2 630 1.008000 0.423800 1.5769E+01 -1.9516E+01 -8.8998E+00 O6 631 15.999400 -0.847600 5.8711E+00 -1.2605E+00 -1.7364E+01 H1 632 1.008000 0.423800 5.0589E+00 -7.9773E-01 -1.7009E+01 H2 633 1.008000 0.423800 6.6260E+00 -6.0769E-01 -1.7427E+01 O6 634 15.999400 -0.847600 -1.5582E+01 -2.1513E-01 -4.7215E+00 H1 635 1.008000 0.423800 -1.5957E+01 -8.7568E-01 -5.3720E+00 H2 636 1.008000 0.423800 -1.5756E+01 7.1279E-01 -5.0510E+00 O6 637 15.999400 -0.847600 1.6691E+01 1.5249E+01 -8.4935E+00 H1 638 1.008000 0.423800 1.5719E+01 1.5037E+01 -8.5966E+00 H2 639 1.008000 0.423800 1.7110E+01 1.4595E+01 -7.8639E+00 O6 640 15.999400 -0.847600 -1.5418E+01 4.2601E+00 1.2538E+01 H1 641 1.008000 0.423800 -1.4617E+01 3.7290E+00 1.2816E+01 H2 642 1.008000 0.423800 -1.5259E+01 5.2283E+00 1.2731E+01 O6 643 15.999400 -0.847600 -1.0329E+01 1.0484E+01 6.5897E+00 H1 644 1.008000 0.423800 -9.5536E+00 1.0921E+01 7.0465E+00 H2 645 1.008000 0.423800 -1.1183E+01 1.0840E+01 6.9697E+00 O6 646 15.999400 -0.847600 1.4694E+01 -1.3291E+01 -1.4279E+01 H1 647 1.008000 0.423800 1.3696E+01 -1.3341E+01 -1.4226E+01 H2 648 1.008000 0.423800 1.4966E+01 -1.3030E+01 -1.5205E+01 O6 649 15.999400 -0.847600 4.7610E+00 -1.1115E+00 -6.1641E+00 H1 650 1.008000 0.423800 4.6552E+00 -1.3310E+00 -7.1339E+00 H2 651 1.008000 0.423800 5.6705E+00 -1.3912E+00 -5.8563E+00 O6 652 15.999400 -0.847600 1.2052E+01 1.6289E+01 1.9437E-01 H1 653 1.008000 0.423800 1.1257E+01 1.5878E+01 -2.5189E-01 H2 654 1.008000 0.423800 1.2888E+01 1.5952E+01 -2.3760E-01 O6 655 15.999400 -0.847600 1.5616E+01 1.4833E+01 5.8194E+00 H1 656 1.008000 0.423800 1.5084E+01 1.4980E+01 6.6530E+00 H2 657 1.008000 0.423800 1.5107E+01 1.4237E+01 5.1993E+00 O6 658 15.999400 -0.847600 6.6198E+00 5.7746E+00 1.7668E+01 H1 659 1.008000 0.423800 7.2473E+00 6.2196E+00 1.8307E+01 H2 660 1.008000 0.423800 6.2415E+00 6.4571E+00 1.7043E+01 O6 661 15.999400 -0.847600 -1.5496E+00 -1.8081E+01 -5.8978E+00 H1 662 1.008000 0.423800 -2.3093E+00 -1.7594E+01 -6.3291E+00 H2 663 1.008000 0.423800 -1.1929E+00 -1.8769E+01 -6.5299E+00 O6 664 15.999400 -0.847600 1.8846E+01 -1.6284E+01 -7.9416E+00 H1 665 1.008000 0.423800 1.8788E+01 -1.7260E+01 -7.7301E+00 H2 666 1.008000 0.423800 1.7925E+01 -1.5908E+01 -8.0367E+00 O6 667 15.999400 -0.847600 1.5521E+01 -1.3866E+01 1.6474E+01 H1 668 1.008000 0.423800 1.4586E+01 -1.4125E+01 1.6229E+01 H2 669 1.008000 0.423800 1.5541E+01 -1.3547E+01 1.7421E+01 O6 670 15.999400 -0.847600 -1.6282E+01 -1.5377E+01 -1.5532E+01 H1 671 1.008000 0.423800 -1.7041E+01 -1.5375E+01 -1.6183E+01 H2 672 1.008000 0.423800 -1.6402E+01 -1.4631E+01 -1.4877E+01 O6 673 15.999400 -0.847600 -1.0284E+01 1.2500E+01 1.1087E+01 H1 674 1.008000 0.423800 -9.9144E+00 1.2729E+01 1.1987E+01 H2 675 1.008000 0.423800 -1.0226E+01 1.1512E+01 1.0944E+01 O6 676 15.999400 -0.847600 1.2583E+01 9.4930E+00 2.4839E+00 H1 677 1.008000 0.423800 1.3141E+01 9.6545E+00 3.2975E+00 H2 678 1.008000 0.423800 1.3179E+01 9.3454E+00 1.6945E+00 O6 679 15.999400 -0.847600 1.2120E+01 -2.2087E+00 2.6200E+00 H1 680 1.008000 0.423800 1.2461E+01 -2.4730E+00 3.5224E+00 H2 681 1.008000 0.423800 1.2432E+01 -1.2835E+00 2.4040E+00 O6 682 15.999400 -0.847600 -6.4776E+00 -1.1861E+01 1.4512E+01 H1 683 1.008000 0.423800 -6.2690E+00 -1.0981E+01 1.4939E+01 H2 684 1.008000 0.423800 -7.4688E+00 -1.1965E+01 1.4429E+01 O6 685 15.999400 -0.847600 -5.5044E+00 8.0413E+00 5.2793E+00 H1 686 1.008000 0.423800 -4.8253E+00 8.7705E+00 5.1941E+00 H2 687 1.008000 0.423800 -5.6420E+00 7.8253E+00 6.2459E+00 O6 688 15.999400 -0.847600 -7.2071E+00 -1.7691E+01 -1.8578E+01 H1 689 1.008000 0.423800 -7.2920E+00 -1.7414E+01 -1.9535E+01 H2 690 1.008000 0.423800 -7.8625E+00 -1.8420E+01 -1.8382E+01 O6 691 15.999400 -0.847600 -8.6201E+00 8.0478E-01 1.6033E+01 H1 692 1.008000 0.423800 -9.0567E+00 1.3916E+00 1.6715E+01 H2 693 1.008000 0.423800 -8.7812E+00 -1.5417E-01 1.6266E+01 O6 694 15.999400 -0.847600 8.8504E-01 4.5226E+00 4.3090E+00 H1 695 1.008000 0.423800 9.7424E-01 3.5978E+00 4.6790E+00 H2 696 1.008000 0.423800 3.1376E-01 5.0719E+00 4.9189E+00 O6 697 15.999400 -0.847600 5.8620E+00 8.5841E+00 1.8133E+01 H1 698 1.008000 0.423800 4.9110E+00 8.3327E+00 1.8314E+01 H2 699 1.008000 0.423800 6.0526E+00 9.4786E+00 1.8538E+01 O6 700 15.999400 -0.847600 1.4954E+01 -1.1029E+01 1.3233E+01 H1 701 1.008000 0.423800 1.5828E+01 -1.0546E+01 1.3288E+01 H2 702 1.008000 0.423800 1.4222E+01 -1.0432E+01 1.3561E+01 O6 703 15.999400 -0.847600 1.6599E+01 1.7808E+01 -4.0059E+00 H1 704 1.008000 0.423800 1.7554E+01 1.8102E+01 -4.0026E+00 H2 705 1.008000 0.423800 1.6444E+01 1.7187E+01 -4.7742E+00 O6 706 15.999400 -0.847600 -8.8446E+00 8.6250E+00 7.5445E+00 H1 707 1.008000 0.423800 -7.9453E+00 8.2155E+00 7.3907E+00 H2 708 1.008000 0.423800 -9.0322E+00 8.6582E+00 8.5261E+00 O6 709 15.999400 -0.847600 -1.8232E+01 -1.8015E+01 9.5761E+00 H1 710 1.008000 0.423800 -1.7706E+01 -1.7173E+01 9.6929E+00 H2 711 1.008000 0.423800 -1.8136E+01 -1.8584E+01 1.0393E+01 O6 712 15.999400 -0.847600 1.8853E+01 -8.9356E+00 -1.1256E+01 H1 713 1.008000 0.423800 1.8035E+01 -8.5667E+00 -1.0814E+01 H2 714 1.008000 0.423800 1.8665E+01 -9.8618E+00 -1.1583E+01 O6 715 15.999400 -0.847600 1.2291E+01 -1.8854E+01 5.0551E+00 H1 716 1.008000 0.423800 1.2637E+01 -1.8419E+01 4.2242E+00 H2 717 1.008000 0.423800 1.1749E+01 -1.8195E+01 5.5761E+00 O6 718 15.999400 -0.847600 1.5968E+00 1.4192E+01 -3.5232E+00 H1 719 1.008000 0.423800 2.1392E+00 1.3352E+01 -3.5168E+00 H2 720 1.008000 0.423800 6.5869E-01 1.3985E+01 -3.2454E+00 O6 721 15.999400 -0.847600 -7.9082E+00 -1.4390E+01 3.7462E+00 H1 722 1.008000 0.423800 -7.2279E+00 -1.4824E+01 4.3364E+00 H2 723 1.008000 0.423800 -8.1543E+00 -1.5014E+01 3.0052E+00 O6 724 15.999400 -0.847600 -7.7295E+00 1.0336E+01 -4.6067E+00 H1 725 1.008000 0.423800 -8.4672E+00 1.0722E+01 -5.1606E+00 H2 726 1.008000 0.423800 -8.1136E+00 9.7024E+00 -3.9352E+00 O6 727 15.999400 -0.847600 -3.7395E+00 7.2817E+00 -1.6351E+01 H1 728 1.008000 0.423800 -4.4419E+00 7.0952E+00 -1.5664E+01 H2 729 1.008000 0.423800 -2.8396E+00 7.0585E+00 -1.5977E+01 O6 730 15.999400 -0.847600 -1.4168E+01 1.6603E+01 1.0257E+01 H1 731 1.008000 0.423800 -1.4569E+01 1.7319E+01 1.0828E+01 H2 732 1.008000 0.423800 -1.4539E+01 1.5714E+01 1.0528E+01 O6 733 15.999400 -0.847600 1.5183E+01 1.7059E+01 -1.4675E+01 H1 734 1.008000 0.423800 1.5684E+01 1.7163E+01 -1.3816E+01 H2 735 1.008000 0.423800 1.4649E+01 1.6214E+01 -1.4649E+01 O6 736 15.999400 -0.847600 1.5630E+01 -1.7777E+01 1.9111E+01 H1 737 1.008000 0.423800 1.5551E+01 -1.8098E+01 -1.9043E+01 H2 738 1.008000 0.423800 1.5093E+01 -1.8371E+01 1.8511E+01 O6 739 15.999400 -0.847600 -1.7965E+01 -1.0625E+01 -1.9214E+01 H1 740 1.008000 0.423800 -1.7063E+01 -1.0522E+01 1.9465E+01 H2 741 1.008000 0.423800 -1.8137E+01 -1.1591E+01 -1.9025E+01 O6 742 15.999400 -0.847600 -1.1746E+01 1.9172E+01 9.4948E+00 H1 743 1.008000 0.423800 -1.2449E+01 1.9187E+01 8.7837E+00 H2 744 1.008000 0.423800 -1.0855E+01 1.8992E+01 9.0788E+00 O6 745 15.999400 -0.847600 -1.7923E+01 -4.6705E+00 1.2683E+01 H1 746 1.008000 0.423800 -1.7478E+01 -4.2701E+00 1.3484E+01 H2 747 1.008000 0.423800 -1.7906E+01 -5.6676E+00 1.2756E+01 O6 748 15.999400 -0.847600 -7.6153E+00 -1.0984E+01 -1.9233E+01 H1 749 1.008000 0.423800 -7.2477E+00 -1.1491E+01 1.9085E+01 H2 750 1.008000 0.423800 -7.8568E+00 -1.1625E+01 -1.8504E+01 O6 751 15.999400 -0.847600 9.7795E-01 -1.1564E+01 -9.2897E+00 H1 752 1.008000 0.423800 1.2143E+00 -1.1816E+01 -1.0228E+01 H2 753 1.008000 0.423800 8.7025E-01 -1.2392E+01 -8.7393E+00 O6 754 15.999400 -0.847600 -7.3869E+00 -7.9164E+00 2.5531E+00 H1 755 1.008000 0.423800 -7.4122E+00 -8.9160E+00 2.5666E+00 H2 756 1.008000 0.423800 -7.3637E+00 -7.5709E+00 3.4912E+00 O6 757 15.999400 -0.847600 -3.0842E+00 -2.2469E+00 1.8329E+01 H1 758 1.008000 0.423800 -3.5449E+00 -3.1076E+00 1.8112E+01 H2 759 1.008000 0.423800 -2.1209E+00 -2.3097E+00 1.8068E+01 O6 760 15.999400 -0.847600 6.6094E+00 -1.7490E+01 8.8763E+00 H1 761 1.008000 0.423800 6.4188E+00 -1.6942E+01 9.6907E+00 H2 762 1.008000 0.423800 7.2044E+00 -1.8256E+01 9.1215E+00 O6 763 15.999400 -0.847600 -3.1587E+00 5.2173E+00 -8.9237E+00 H1 764 1.008000 0.423800 -4.1200E+00 5.4845E+00 -8.8572E+00 H2 765 1.008000 0.423800 -2.8512E+00 5.3120E+00 -9.8706E+00 O6 766 15.999400 -0.847600 5.4782E+00 -7.0109E+00 -7.1965E+00 H1 767 1.008000 0.423800 5.0904E+00 -6.9807E+00 -6.2753E+00 H2 768 1.008000 0.423800 6.2653E+00 -7.6277E+00 -7.2068E+00 O6 769 15.999400 -0.847600 1.6521E+01 -4.2886E-01 -5.9935E+00 H1 770 1.008000 0.423800 1.6012E+01 -1.2169E+00 -5.6481E+00 H2 771 1.008000 0.423800 1.6612E+01 -5.0018E-01 -6.9867E+00 O6 772 15.999400 -0.847600 -1.8945E+01 -3.5729E+00 1.8010E+01 H1 773 1.008000 0.423800 1.9430E+01 -4.2642E+00 1.8025E+01 H2 774 1.008000 0.423800 -1.8674E+01 -3.3546E+00 1.8947E+01 O6 775 15.999400 -0.847600 1.9508E+01 1.3807E+01 1.5542E+01 H1 776 1.008000 0.423800 1.8567E+01 1.3697E+01 1.5221E+01 H2 777 1.008000 0.423800 -1.9420E+01 1.4769E+01 1.5753E+01 O6 778 15.999400 -0.847600 -1.2853E+01 8.7444E+00 -5.2245E+00 H1 779 1.008000 0.423800 -1.1854E+01 8.7542E+00 -5.1744E+00 H2 780 1.008000 0.423800 -1.3234E+01 8.8737E+00 -4.3090E+00 O6 781 15.999400 -0.847600 1.2313E+00 -5.1267E+00 5.6161E+00 H1 782 1.008000 0.423800 1.9844E+00 -4.5406E+00 5.3173E+00 H2 783 1.008000 0.423800 7.1825E-01 -5.4429E+00 4.8181E+00 O6 784 15.999400 -0.847600 1.4403E+01 1.7134E+01 -8.1019E+00 H1 785 1.008000 0.423800 1.3410E+01 1.7147E+01 -8.2262E+00 H2 786 1.008000 0.423800 1.4844E+01 1.6905E+01 -8.9694E+00 O6 787 15.999400 -0.847600 3.4255E+00 6.3160E+00 -7.7522E+00 H1 788 1.008000 0.423800 3.3685E+00 6.6941E+00 -6.8281E+00 H2 789 1.008000 0.423800 2.5457E+00 5.9115E+00 -8.0016E+00 O6 790 15.999400 -0.847600 -1.2649E+00 1.4709E+01 -1.4520E+01 H1 791 1.008000 0.423800 -1.1971E+00 1.5622E+01 -1.4924E+01 H2 792 1.008000 0.423800 -3.4787E-01 1.4365E+01 -1.4320E+01 O6 793 15.999400 -0.847600 8.2598E+00 -1.0671E+01 -1.9405E+01 H1 794 1.008000 0.423800 9.0525E+00 -1.0400E+01 -1.8859E+01 H2 795 1.008000 0.423800 7.4855E+00 -1.0077E+01 -1.9186E+01 O6 796 15.999400 -0.847600 -2.7137E+00 -1.5421E+01 9.8665E+00 H1 797 1.008000 0.423800 -3.3610E+00 -1.6176E+01 9.9661E+00 H2 798 1.008000 0.423800 -1.8098E+00 -1.5784E+01 9.6406E+00 O6 799 15.999400 -0.847600 -1.7820E+01 -1.4978E+01 -1.7703E+01 H1 800 1.008000 0.423800 -1.8791E+01 -1.4890E+01 -1.7481E+01 H2 801 1.008000 0.423800 -1.7527E+01 -1.4183E+01 -1.8234E+01 O6 802 15.999400 -0.847600 1.5640E+01 2.6204E+00 1.5851E+01 H1 803 1.008000 0.423800 1.5154E+01 2.7637E+00 1.6713E+01 H2 804 1.008000 0.423800 1.6525E+01 2.1915E+00 1.6035E+01 O6 805 15.999400 -0.847600 -1.8132E+01 -7.3189E+00 1.2347E+01 H1 806 1.008000 0.423800 -1.7148E+01 -7.2906E+00 1.2171E+01 H2 807 1.008000 0.423800 -1.8484E+01 -8.2282E+00 1.2125E+01 O6 808 15.999400 -0.847600 1.5992E+01 -3.5286E+00 -2.1544E-01 H1 809 1.008000 0.423800 1.6191E+01 -4.4605E+00 8.7927E-02 H2 810 1.008000 0.423800 1.6442E+01 -2.8765E+00 3.9451E-01 O6 811 15.999400 -0.847600 -7.5205E+00 1.6136E+01 -8.3175E+00 H1 812 1.008000 0.423800 -8.3486E+00 1.6485E+01 -8.7565E+00 H2 813 1.008000 0.423800 -6.7161E+00 1.6512E+01 -8.7776E+00 O6 814 15.999400 -0.847600 -1.2256E+01 -1.8368E+01 3.1276E+00 H1 815 1.008000 0.423800 -1.3046E+01 -1.8418E+01 2.5169E+00 H2 816 1.008000 0.423800 -1.2368E+01 -1.9027E+01 3.8717E+00 O6 817 15.999400 -0.847600 -1.6722E+01 1.2151E+01 9.4450E+00 H1 818 1.008000 0.423800 -1.7185E+01 1.2320E+01 8.5751E+00 H2 819 1.008000 0.423800 -1.5983E+01 1.1491E+01 9.3070E+00 O6 820 15.999400 -0.847600 1.7867E+01 2.1905E+00 7.9811E+00 H1 821 1.008000 0.423800 1.8607E+01 1.6383E+00 8.3664E+00 H2 822 1.008000 0.423800 1.7025E+01 2.0232E+00 8.4932E+00 O6 823 15.999400 -0.847600 -2.2607E+00 -1.5648E+01 -1.8315E+01 H1 824 1.008000 0.423800 -1.8905E+00 -1.4720E+01 -1.8284E+01 H2 825 1.008000 0.423800 -2.1869E+00 -1.6067E+01 -1.7410E+01 O6 826 15.999400 -0.847600 -3.5777E+00 -3.9606E+00 2.0222E+00 H1 827 1.008000 0.423800 -2.8226E+00 -4.3397E+00 1.4874E+00 H2 828 1.008000 0.423800 -3.8039E+00 -4.5859E+00 2.7691E+00 O6 829 15.999400 -0.847600 -1.5720E+01 1.0602E+01 1.8446E+01 H1 830 1.008000 0.423800 -1.5294E+01 1.0616E+01 1.7542E+01 H2 831 1.008000 0.423800 -1.5644E+01 9.6838E+00 1.8836E+01 O6 832 15.999400 -0.847600 9.4866E+00 -6.9599E+00 -2.4893E+00 H1 833 1.008000 0.423800 1.0325E+01 -6.4148E+00 -2.4653E+00 H2 834 1.008000 0.423800 8.8619E+00 -6.6423E+00 -1.7759E+00 O6 835 15.999400 -0.847600 1.7468E+01 -7.7057E-01 1.4463E+01 H1 836 1.008000 0.423800 1.7951E+01 -1.0884E+00 1.3647E+01 H2 837 1.008000 0.423800 1.6512E+01 -1.0577E+00 1.4417E+01 O6 838 15.999400 -0.847600 2.9306E-01 1.4352E+01 1.0928E+01 H1 839 1.008000 0.423800 1.1283E+00 1.4665E+01 1.1380E+01 H2 840 1.008000 0.423800 5.7744E-02 1.4982E+01 1.0188E+01 O6 841 15.999400 -0.847600 -1.6620E+01 8.9326E+00 -1.0960E+01 H1 842 1.008000 0.423800 -1.5925E+01 8.7380E+00 -1.1653E+01 H2 843 1.008000 0.423800 -1.6525E+01 9.8785E+00 -1.0650E+01 O6 844 15.999400 -0.847600 -5.0198E-01 -1.7526E+01 1.3327E+01 H1 845 1.008000 0.423800 -1.1336E+00 -1.8068E+01 1.2772E+01 H2 846 1.008000 0.423800 4.1097E-01 -1.7559E+01 1.2920E+01 O6 847 15.999400 -0.847600 5.1368E+00 -8.4360E+00 1.5182E+01 H1 848 1.008000 0.423800 6.0062E+00 -7.9421E+00 1.5194E+01 H2 849 1.008000 0.423800 4.3817E+00 -7.7833E+00 1.5243E+01 O6 850 15.999400 -0.847600 -4.2739E+00 1.7868E+01 1.6755E+00 H1 851 1.008000 0.423800 -3.9298E+00 1.7297E+01 9.2981E-01 H2 852 1.008000 0.423800 -5.0473E+00 1.8412E+01 1.3494E+00 O6 853 15.999400 -0.847600 -1.8388E+01 -4.3178E+00 8.2299E+00 H1 854 1.008000 0.423800 -1.8725E+01 -5.0964E+00 8.7591E+00 H2 855 1.008000 0.423800 -1.8295E+01 -4.5826E+00 7.2701E+00 O6 856 15.999400 -0.847600 6.4163E+00 -6.2318E+00 -1.0267E+01 H1 857 1.008000 0.423800 6.6150E+00 -7.2082E+00 -1.0353E+01 H2 858 1.008000 0.423800 5.4968E+00 -6.1103E+00 -9.8935E+00 O6 859 15.999400 -0.847600 9.3760E+00 4.5780E+00 -9.2597E+00 H1 860 1.008000 0.423800 8.4839E+00 4.3831E+00 -9.6673E+00 H2 861 1.008000 0.423800 9.6809E+00 5.4869E+00 -9.5442E+00 O6 862 15.999400 -0.847600 9.8009E+00 2.0691E+00 -9.9990E+00 H1 863 1.008000 0.423800 1.0692E+01 1.8989E+00 -1.0420E+01 H2 864 1.008000 0.423800 9.7453E+00 3.0254E+00 -9.7120E+00 O6 865 15.999400 -0.847600 1.7791E+01 -1.5101E+01 1.3759E+01 H1 866 1.008000 0.423800 1.7162E+01 -1.5627E+01 1.4331E+01 H2 867 1.008000 0.423800 1.8106E+01 -1.4296E+01 1.4262E+01 O6 868 15.999400 -0.847600 -1.4919E+01 -9.9375E+00 2.1225E+00 H1 869 1.008000 0.423800 -1.5082E+01 -8.9652E+00 1.9549E+00 H2 870 1.008000 0.423800 -1.5521E+01 -1.0482E+01 1.5384E+00 O6 871 15.999400 -0.847600 -1.7216E+01 2.8969E+00 -2.1445E+00 H1 872 1.008000 0.423800 -1.6385E+01 3.3733E+00 -2.4340E+00 H2 873 1.008000 0.423800 -1.7813E+01 3.5345E+00 -1.6588E+00 O6 874 15.999400 -0.847600 -8.4636E+00 8.8198E+00 -1.7750E+01 H1 875 1.008000 0.423800 -7.8531E+00 8.8940E+00 -1.6962E+01 H2 876 1.008000 0.423800 -8.5232E+00 9.7058E+00 -1.8210E+01 O6 877 15.999400 -0.847600 -1.3580E+01 -1.8554E+00 1.8626E+01 H1 878 1.008000 0.423800 -1.2814E+01 -1.7675E+00 1.9262E+01 H2 879 1.008000 0.423800 -1.4344E+01 -2.3099E+00 1.9085E+01 O6 880 15.999400 -0.847600 -1.3140E+01 1.2906E+01 -9.2019E+00 H1 881 1.008000 0.423800 -1.2987E+01 1.1940E+01 -8.9942E+00 H2 882 1.008000 0.423800 -1.4007E+01 1.3200E+01 -8.8014E+00 O6 883 15.999400 -0.847600 -9.0294E+00 -2.5000E-01 -1.5126E+01 H1 884 1.008000 0.423800 -8.8280E+00 -1.0819E+00 -1.5643E+01 H2 885 1.008000 0.423800 -8.1825E+00 1.1547E-01 -1.4739E+01 O6 886 15.999400 -0.847600 -1.3919E+01 -9.4615E+00 4.9889E+00 H1 887 1.008000 0.423800 -1.4354E+01 -8.8141E+00 5.6146E+00 H2 888 1.008000 0.423800 -1.4583E+01 -9.7610E+00 4.3041E+00 O6 889 15.999400 -0.847600 6.5057E+00 -1.6377E+01 1.1557E+01 H1 890 1.008000 0.423800 6.1721E+00 -1.6262E+01 1.2493E+01 H2 891 1.008000 0.423800 6.7443E+00 -1.5484E+01 1.1176E+01 O6 892 15.999400 -0.847600 1.8929E+00 1.3991E+01 1.4614E+01 H1 893 1.008000 0.423800 2.0138E+00 1.4867E+01 1.5082E+01 H2 894 1.008000 0.423800 2.0779E+00 1.4106E+01 1.3639E+01 O6 895 15.999400 -0.847600 1.4602E+01 -1.5177E+01 4.0424E+00 H1 896 1.008000 0.423800 1.3650E+01 -1.5344E+01 4.2986E+00 H2 897 1.008000 0.423800 1.5207E+01 -1.5537E+01 4.7530E+00 O6 898 15.999400 -0.847600 -2.7445E-01 -9.7012E+00 6.4926E+00 H1 899 1.008000 0.423800 6.7666E-01 -1.0008E+01 6.4607E+00 H2 900 1.008000 0.423800 -7.0888E-01 -1.0048E+01 7.3240E+00 O6 901 15.999400 -0.847600 -1.0623E+01 1.1110E+01 -1.7125E+01 H1 902 1.008000 0.423800 -1.0048E+01 1.1327E+01 -1.7914E+01 H2 903 1.008000 0.423800 -1.0043E+01 1.0874E+01 -1.6345E+01 O6 904 15.999400 -0.847600 -8.1893E+00 1.9140E+01 -6.7422E+00 H1 905 1.008000 0.423800 -7.5395E+00 1.9382E+01 -7.4625E+00 H2 906 1.008000 0.423800 -9.1205E+00 1.9321E+01 -7.0585E+00 O6 907 15.999400 -0.847600 -6.6404E+00 1.0714E+01 1.7318E+01 H1 908 1.008000 0.423800 -5.9197E+00 1.0181E+01 1.6874E+01 H2 909 1.008000 0.423800 -7.1918E+00 1.1173E+01 1.6621E+01 O6 910 15.999400 -0.847600 -8.5390E-01 -8.9813E+00 4.1236E+00 H1 911 1.008000 0.423800 -7.9134E-01 -9.2624E+00 5.0813E+00 H2 912 1.008000 0.423800 -1.6397E-02 -9.2432E+00 3.6441E+00 O6 913 15.999400 -0.847600 -1.8866E+01 -1.5024E+00 -5.1460E+00 H1 914 1.008000 0.423800 -1.9530E+01 -1.0377E+00 -5.7313E+00 H2 915 1.008000 0.423800 -1.8320E+01 -8.2238E-01 -4.6560E+00 O6 916 15.999400 -0.847600 1.4237E+01 -1.9250E+01 -1.4999E+01 H1 917 1.008000 0.423800 1.4941E+01 -1.8539E+01 -1.4999E+01 H2 918 1.008000 0.423800 1.4645E+01 1.8974E+01 -1.4735E+01 O6 919 15.999400 -0.847600 3.2018E+00 -3.1915E+00 -1.5160E+01 H1 920 1.008000 0.423800 2.6588E+00 -3.3734E+00 -1.4340E+01 H2 921 1.008000 0.423800 3.9697E+00 -2.5955E+00 -1.4926E+01 O6 922 15.999400 -0.847600 -1.3310E+00 1.6964E+01 1.9257E+01 H1 923 1.008000 0.423800 -2.0723E+00 1.7628E+01 1.9160E+01 H2 924 1.008000 0.423800 -1.6854E+00 1.6043E+01 1.9095E+01 O6 925 15.999400 -0.847600 4.7608E+00 9.0179E+00 1.3921E+00 H1 926 1.008000 0.423800 5.6575E+00 9.0021E+00 9.4965E-01 H2 927 1.008000 0.423800 4.8646E+00 8.8025E+00 2.3631E+00 O6 928 15.999400 -0.847600 -5.8693E-01 6.8927E+00 1.3992E+00 H1 929 1.008000 0.423800 -2.2196E-01 7.6733E+00 1.9067E+00 H2 930 1.008000 0.423800 -1.5303E+00 7.0833E+00 1.1277E+00 O6 931 15.999400 -0.847600 1.8588E+01 4.5663E+00 1.4587E+01 H1 932 1.008000 0.423800 1.8862E+01 5.5274E+00 1.4626E+01 H2 933 1.008000 0.423800 1.9348E+01 4.0177E+00 1.4237E+01 O6 934 15.999400 -0.847600 3.4754E+00 1.2345E+01 5.9485E+00 H1 935 1.008000 0.423800 2.9686E+00 1.3070E+01 5.4821E+00 H2 936 1.008000 0.423800 3.6587E+00 1.1601E+01 5.3066E+00 O6 937 15.999400 -0.847600 4.3573E+00 -1.3722E+01 -9.6031E+00 H1 938 1.008000 0.423800 5.0336E+00 -1.4186E+01 -9.0306E+00 H2 939 1.008000 0.423800 3.5111E+00 -1.3598E+01 -9.0850E+00 O6 940 15.999400 -0.847600 2.6026E+00 7.9287E-01 -1.9345E+01 H1 941 1.008000 0.423800 3.5141E+00 1.1385E+00 -1.9122E+01 H2 942 1.008000 0.423800 2.0412E+00 1.5395E+00 1.9396E+01 O6 943 15.999400 -0.847600 1.1575E+00 -4.7466E+00 9.1983E+00 H1 944 1.008000 0.423800 1.7168E+00 -4.2657E+00 8.5231E+00 H2 945 1.008000 0.423800 1.4357E+00 -5.7063E+00 9.2389E+00 O6 946 15.999400 -0.847600 -5.8390E+00 -1.8150E+00 -1.0006E+01 H1 947 1.008000 0.423800 -6.6147E+00 -2.4410E+00 -1.0087E+01 H2 948 1.008000 0.423800 -5.0130E+00 -2.3344E+00 -9.7871E+00 O6 949 15.999400 -0.847600 1.6598E+01 -9.1815E+00 2.6165E+00 H1 950 1.008000 0.423800 1.6453E+01 -8.8125E+00 1.6985E+00 H2 951 1.008000 0.423800 1.6135E+01 -8.6003E+00 3.2861E+00 O6 952 15.999400 -0.847600 9.7867E+00 1.9181E+01 -8.9717E+00 H1 953 1.008000 0.423800 9.5057E+00 1.8290E+01 -9.3281E+00 H2 954 1.008000 0.423800 1.0052E+01 1.9088E+01 -8.0122E+00 O6 955 15.999400 -0.847600 7.7637E+00 -7.3215E+00 -4.9542E+00 H1 956 1.008000 0.423800 8.3688E+00 -7.1702E+00 -4.1726E+00 H2 957 1.008000 0.423800 8.0006E+00 -6.6842E+00 -5.6874E+00 O6 958 15.999400 -0.847600 -5.8980E+00 -4.1750E+00 -1.2142E+00 H1 959 1.008000 0.423800 -6.3442E+00 -5.0437E+00 -1.4293E+00 H2 960 1.008000 0.423800 -4.9271E+00 -4.3343E+00 -1.0351E+00 O6 961 15.999400 -0.847600 1.1049E+01 -1.6477E+01 -3.7936E+00 H1 962 1.008000 0.423800 1.0729E+01 -1.5582E+01 -4.1045E+00 H2 963 1.008000 0.423800 1.1860E+01 -1.6741E+01 -4.3166E+00 O6 964 15.999400 -0.847600 1.3184E+01 4.6457E-01 1.0392E+01 H1 965 1.008000 0.423800 1.3813E+01 1.2414E+00 1.0359E+01 H2 966 1.008000 0.423800 1.3688E+01 -3.6186E-01 1.0643E+01 O6 967 15.999400 -0.847600 -1.2467E+01 -2.5042E+00 1.2653E+01 H1 968 1.008000 0.423800 -1.3437E+01 -2.3618E+00 1.2456E+01 H2 969 1.008000 0.423800 -1.1915E+01 -2.0252E+00 1.1971E+01 O6 970 15.999400 -0.847600 1.7189E+01 8.8368E+00 1.4174E+00 H1 971 1.008000 0.423800 1.7507E+01 9.0400E+00 2.3433E+00 H2 972 1.008000 0.423800 1.7959E+01 8.5253E+00 8.6078E-01 O6 973 15.999400 -0.847600 -6.1916E+00 -1.5493E+01 -1.7654E+01 H1 974 1.008000 0.423800 -6.6978E+00 -1.6256E+01 -1.8056E+01 H2 975 1.008000 0.423800 -5.8409E+00 -1.5761E+01 -1.6757E+01 O6 976 15.999400 -0.847600 2.4784E+00 -1.8083E+01 -9.5750E+00 H1 977 1.008000 0.423800 3.3395E+00 -1.7739E+01 -9.2011E+00 H2 978 1.008000 0.423800 2.1462E+00 -1.8837E+01 -9.0072E+00 O6 979 15.999400 -0.847600 3.2021E+00 -6.2801E+00 -1.2270E+01 H1 980 1.008000 0.423800 2.5694E+00 -6.2693E+00 -1.3044E+01 H2 981 1.008000 0.423800 3.5614E+00 -5.3589E+00 -1.2120E+01 O6 982 15.999400 -0.847600 -1.1551E+01 -8.9643E-01 1.4974E+01 H1 983 1.008000 0.423800 -1.1300E+01 -1.0082E+00 1.4013E+01 H2 984 1.008000 0.423800 -1.1698E+01 7.3194E-02 1.5170E+01 O6 985 15.999400 -0.847600 8.1740E-01 -7.6809E+00 9.5786E+00 H1 986 1.008000 0.423800 -7.5211E-02 -8.1287E+00 9.5268E+00 H2 987 1.008000 0.423800 1.5347E+00 -8.3743E+00 9.6465E+00 O6 988 15.999400 -0.847600 6.0155E+00 5.5268E+00 5.5240E+00 H1 989 1.008000 0.423800 5.0647E+00 5.3297E+00 5.2849E+00 H2 990 1.008000 0.423800 6.1647E+00 5.3242E+00 6.4918E+00 O6 991 15.999400 -0.847600 -1.0423E+01 -2.2168E+00 -1.0457E+00 H1 992 1.008000 0.423800 -1.0383E+01 -3.2100E+00 -1.1546E+00 H2 993 1.008000 0.423800 -1.0685E+01 -1.9948E+00 -1.0667E-01 O6 994 15.999400 -0.847600 1.7870E+01 1.9299E+00 -3.6495E+00 H1 995 1.008000 0.423800 1.7344E+01 1.1515E+00 -3.3072E+00 H2 996 1.008000 0.423800 1.7355E+01 2.7734E+00 -3.4968E+00 O6 997 15.999400 -0.847600 1.1736E+01 -1.4983E+01 4.9135E+00 H1 998 1.008000 0.423800 1.1267E+01 -1.5512E+01 4.2069E+00 H2 999 1.008000 0.423800 1.1362E+01 -1.4055E+01 4.9392E+00 O6 1000 15.999400 -0.847600 6.1749E+00 -4.7974E+00 1.0641E+01 H1 1001 1.008000 0.423800 5.7951E+00 -5.3354E+00 9.8889E+00 H2 1002 1.008000 0.423800 5.6064E+00 -3.9889E+00 1.0793E+01 O6 1003 15.999400 -0.847600 -8.3041E+00 1.6546E+01 -3.3578E+00 H1 1004 1.008000 0.423800 -7.5436E+00 1.5970E+01 -3.0573E+00 H2 1005 1.008000 0.423800 -8.6626E+00 1.6199E+01 -4.2244E+00 O6 1006 15.999400 -0.847600 -1.9391E+00 -3.4437E-01 9.3453E+00 H1 1007 1.008000 0.423800 -1.0531E+00 -4.7719E-01 8.9009E+00 H2 1008 1.008000 0.423800 -2.5439E+00 -1.1074E+00 9.1174E+00 O6 1009 15.999400 -0.847600 3.5068E+00 1.2945E+01 -1.3450E+01 H1 1010 1.008000 0.423800 3.5055E+00 1.2430E+01 -1.2592E+01 H2 1011 1.008000 0.423800 3.9885E+00 1.3811E+01 -1.3318E+01 O6 1012 15.999400 -0.847600 1.0850E+01 2.5115E+00 1.5231E+00 H1 1013 1.008000 0.423800 1.0146E+01 3.0040E+00 1.0116E+00 H2 1014 1.008000 0.423800 1.1377E+01 3.1595E+00 2.0732E+00 O6 1015 15.999400 -0.847600 3.9869E+00 1.6557E+01 -1.2829E+01 H1 1016 1.008000 0.423800 4.2038E+00 1.6569E+01 -1.3805E+01 H2 1017 1.008000 0.423800 2.9950E+00 1.6593E+01 -1.2708E+01 O6 1018 15.999400 -0.847600 1.4721E+01 -5.8851E+00 -6.3043E+00 H1 1019 1.008000 0.423800 1.5399E+01 -5.9297E+00 -7.0380E+00 H2 1020 1.008000 0.423800 1.3811E+01 -5.7539E+00 -6.6987E+00 O6 1021 15.999400 -0.847600 1.9327E+01 1.6121E+01 -8.4196E+00 H1 1022 1.008000 0.423800 -1.9101E+01 1.5386E+01 -8.3194E+00 H2 1023 1.008000 0.423800 1.8416E+01 1.5728E+01 -8.5441E+00 O6 1024 15.999400 -0.847600 -1.5177E+01 -5.2786E+00 -9.3068E+00 H1 1025 1.008000 0.423800 -1.5347E+01 -5.6718E+00 -1.0210E+01 H2 1026 1.008000 0.423800 -1.6048E+01 -5.1311E+00 -8.8384E+00 O6 1027 15.999400 -0.847600 1.4555E+01 2.3201E+00 -1.5808E+01 H1 1028 1.008000 0.423800 1.4498E+01 1.7794E+00 -1.4969E+01 H2 1029 1.008000 0.423800 1.3803E+01 2.0689E+00 -1.6418E+01 O6 1030 15.999400 -0.847600 -9.7881E+00 1.3897E+01 1.6122E+01 H1 1031 1.008000 0.423800 -9.1597E+00 1.3969E+01 1.5347E+01 H2 1032 1.008000 0.423800 -9.7696E+00 1.4748E+01 1.6647E+01 O6 1033 15.999400 -0.847600 -7.9415E+00 1.1981E+01 3.5909E+00 H1 1034 1.008000 0.423800 -8.4633E+00 1.2504E+01 4.2648E+00 H2 1035 1.008000 0.423800 -7.3562E+00 1.2601E+01 3.0683E+00 O6 1036 15.999400 -0.847600 1.7183E+01 6.2575E+00 -1.7770E+01 H1 1037 1.008000 0.423800 1.6593E+01 6.7538E+00 -1.8408E+01 H2 1038 1.008000 0.423800 1.7818E+01 6.8968E+00 -1.7337E+01 O6 1039 15.999400 -0.847600 -1.7245E+01 1.4632E+01 -1.6694E+01 H1 1040 1.008000 0.423800 -1.6298E+01 1.4379E+01 -1.6493E+01 H2 1041 1.008000 0.423800 -1.7585E+01 1.4074E+01 -1.7451E+01 O6 1042 15.999400 -0.847600 -1.0009E+01 3.4041E-01 -2.3493E+00 H1 1043 1.008000 0.423800 -1.0192E+01 -4.8974E-01 -1.8226E+00 H2 1044 1.008000 0.423800 -9.8137E+00 9.6130E-02 -3.2990E+00 O6 1045 15.999400 -0.847600 1.6712E+01 4.6210E+00 -9.2096E+00 H1 1046 1.008000 0.423800 1.6785E+01 5.6181E+00 -9.1862E+00 H2 1047 1.008000 0.423800 1.7052E+01 4.2417E+00 -8.3490E+00 O6 1048 15.999400 -0.847600 -6.5095E+00 1.8534E+01 -1.9441E+00 H1 1049 1.008000 0.423800 -6.8961E+00 1.8820E+01 -2.8210E+00 H2 1050 1.008000 0.423800 -5.9516E+00 1.7715E+01 -2.0767E+00 O6 1051 15.999400 -0.847600 7.4287E+00 -7.4913E-01 -1.4421E+01 H1 1052 1.008000 0.423800 7.7678E+00 -2.2105E-01 -1.3642E+01 H2 1053 1.008000 0.423800 8.0200E+00 -5.9330E-01 -1.5212E+01 O6 1054 15.999400 -0.847600 -1.3916E+01 4.9090E-01 9.8316E+00 H1 1055 1.008000 0.423800 -1.3860E+01 5.4489E-01 1.0829E+01 H2 1056 1.008000 0.423800 -1.3243E+01 1.1094E+00 9.4261E+00 O6 1057 15.999400 -0.847600 1.7137E+00 -9.5817E+00 1.3862E+01 H1 1058 1.008000 0.423800 2.5636E+00 -1.0082E+01 1.4027E+01 H2 1059 1.008000 0.423800 1.1222E+00 -9.6569E+00 1.4665E+01 O6 1060 15.999400 -0.847600 -5.9002E+00 9.0993E-01 6.6429E+00 H1 1061 1.008000 0.423800 -6.3682E+00 1.5961E+00 6.0859E+00 H2 1062 1.008000 0.423800 -5.8451E+00 4.9964E-02 6.1356E+00 O6 1063 15.999400 -0.847600 -1.8441E+01 1.3775E+01 -8.6968E+00 H1 1064 1.008000 0.423800 -1.7471E+01 1.3652E+01 -8.4881E+00 H2 1065 1.008000 0.423800 -1.8716E+01 1.3122E+01 -9.4022E+00 O6 1066 15.999400 -0.847600 -4.4794E+00 -1.8657E+01 -3.8381E+00 H1 1067 1.008000 0.423800 -3.8148E+00 -1.9257E+01 -3.3929E+00 H2 1068 1.008000 0.423800 -5.1543E+00 -1.9211E+01 -4.3256E+00 O6 1069 15.999400 -0.847600 -1.3070E+01 1.6779E+01 1.4380E+01 H1 1070 1.008000 0.423800 -1.3930E+01 1.6343E+01 1.4115E+01 H2 1071 1.008000 0.423800 -1.3027E+01 1.7698E+01 1.3988E+01 O6 1072 15.999400 -0.847600 1.7857E+01 6.0247E+00 -1.5305E+00 H1 1073 1.008000 0.423800 1.7443E+01 5.4686E+00 -2.2514E+00 H2 1074 1.008000 0.423800 1.7179E+01 6.2037E+00 -8.1744E-01 O6 1075 15.999400 -0.847600 -9.6661E+00 6.4090E+00 -1.4547E+01 H1 1076 1.008000 0.423800 -1.0561E+01 6.5104E+00 -1.4112E+01 H2 1077 1.008000 0.423800 -9.7490E+00 6.5953E+00 -1.5526E+01 O6 1078 15.999400 -0.847600 -1.5419E+01 -1.7312E+01 -1.3860E+01 H1 1079 1.008000 0.423800 -1.6038E+01 -1.8093E+01 -1.3780E+01 H2 1080 1.008000 0.423800 -1.5802E+01 -1.6648E+01 -1.4502E+01 O6 1081 15.999400 -0.847600 -1.7476E+01 8.6143E+00 1.2303E+01 H1 1082 1.008000 0.423800 -1.8402E+01 8.8274E+00 1.1990E+01 H2 1083 1.008000 0.423800 -1.7044E+01 7.9837E+00 1.1659E+01 O6 1084 15.999400 -0.847600 8.4342E+00 1.9468E+01 2.8023E+00 H1 1085 1.008000 0.423800 7.7997E+00 -1.8944E+01 2.4458E+00 H2 1086 1.008000 0.423800 9.3559E+00 -1.9438E+01 2.4648E+00 O6 1087 15.999400 -0.847600 -1.2760E-01 -9.9512E+00 1.5874E+01 H1 1088 1.008000 0.423800 -5.2989E-01 -1.0332E+01 1.6706E+01 H2 1089 1.008000 0.423800 -7.4843E-01 -1.0102E+01 1.5105E+01 O6 1090 15.999400 -0.847600 -5.6282E+00 5.8009E+00 -7.8430E+00 H1 1091 1.008000 0.423800 -6.2351E+00 6.4335E+00 -8.3243E+00 H2 1092 1.008000 0.423800 -5.2359E+00 6.2579E+00 -7.0447E+00 O6 1093 15.999400 -0.847600 -6.2399E+00 -1.4105E+01 9.6295E+00 H1 1094 1.008000 0.423800 -7.0791E+00 -1.3651E+01 9.3301E+00 H2 1095 1.008000 0.423800 -6.3133E+00 -1.4335E+01 1.0600E+01 O6 1096 15.999400 -0.847600 1.8636E+00 -1.3468E+01 1.9268E+01 H1 1097 1.008000 0.423800 1.3045E+00 -1.3943E+01 1.8589E+01 H2 1098 1.008000 0.423800 2.1263E+00 -1.2570E+01 1.8915E+01 O6 1099 15.999400 -0.847600 1.7626E+01 -2.9205E-01 5.0283E+00 H1 1100 1.008000 0.423800 1.6646E+01 -4.3716E-01 4.8941E+00 H2 1101 1.008000 0.423800 1.8115E+01 -1.1483E+00 4.8629E+00 O6 1102 15.999400 -0.847600 4.9156E+00 -1.5852E+00 -1.3749E+01 H1 1103 1.008000 0.423800 5.8471E+00 -1.4110E+00 -1.4069E+01 H2 1104 1.008000 0.423800 4.9393E+00 -1.8676E+00 -1.2790E+01 O6 1105 15.999400 -0.847600 4.9128E+00 1.1003E+00 -8.0333E+00 H1 1106 1.008000 0.423800 4.3324E+00 1.8322E+00 -7.6762E+00 H2 1107 1.008000 0.423800 5.8592E+00 1.2581E+00 -7.7518E+00 O6 1108 15.999400 -0.847600 6.5723E-01 1.6798E+01 -1.8018E+01 H1 1109 1.008000 0.423800 -1.5761E-01 1.7032E+01 -1.8548E+01 H2 1110 1.008000 0.423800 8.2466E-01 1.5814E+01 -1.8081E+01 O6 1111 15.999400 -0.847600 -1.8014E+00 -1.5640E+01 6.6691E+00 H1 1112 1.008000 0.423800 -1.1165E+00 -1.6251E+01 6.2716E+00 H2 1113 1.008000 0.423800 -1.6997E+00 -1.4725E+01 6.2775E+00 O6 1114 15.999400 -0.847600 -2.9114E+00 1.4582E+01 -7.6611E+00 H1 1115 1.008000 0.423800 -3.6367E+00 1.4539E+01 -6.9741E+00 H2 1116 1.008000 0.423800 -2.1868E+00 1.3935E+01 -7.4216E+00 O6 1117 15.999400 -0.847600 9.7761E+00 4.9160E-01 -7.7375E+00 H1 1118 1.008000 0.423800 1.0059E+01 8.8156E-01 -8.6140E+00 H2 1119 1.008000 0.423800 1.0542E+01 -8.2822E-03 -7.3329E+00 O6 1120 15.999400 -0.847600 -7.3357E+00 8.4289E+00 -1.5250E+01 H1 1121 1.008000 0.423800 -8.1396E+00 8.4203E+00 -1.4656E+01 H2 1122 1.008000 0.423800 -6.8115E+00 7.5883E+00 -1.5114E+01 O6 1123 15.999400 -0.847600 -1.2812E+01 5.3988E+00 -1.7757E+01 H1 1124 1.008000 0.423800 -1.2053E+01 6.0229E+00 -1.7945E+01 H2 1125 1.008000 0.423800 -1.2628E+01 4.8977E+00 -1.6911E+01 O6 1126 15.999400 -0.847600 1.6781E+01 8.4713E+00 1.5173E+01 H1 1127 1.008000 0.423800 1.7682E+01 8.1443E+00 1.4889E+01 H2 1128 1.008000 0.423800 1.6339E+01 7.7774E+00 1.5741E+01 O6 1129 15.999400 -0.847600 -1.1417E+01 2.2325E+00 -9.1246E-01 H1 1130 1.008000 0.423800 -1.0920E+01 1.6864E+00 -1.5873E+00 H2 1131 1.008000 0.423800 -1.2264E+01 1.7634E+00 -6.6205E-01 O6 1132 15.999400 -0.847600 -1.2608E-01 1.5959E+01 8.4210E+00 H1 1133 1.008000 0.423800 1.1400E-01 1.5019E+01 8.1781E+00 H2 1134 1.008000 0.423800 -6.3116E-01 1.6379E+01 7.6673E+00 O6 1135 15.999400 -0.847600 9.0186E+00 6.8600E+00 1.9159E+01 H1 1136 1.008000 0.423800 9.1464E+00 5.9415E+00 1.9534E+01 H2 1137 1.008000 0.423800 9.8903E+00 7.3497E+00 1.9173E+01 O6 1138 15.999400 -0.847600 1.1397E+01 -1.7811E+01 -1.3197E+01 H1 1139 1.008000 0.423800 1.0801E+01 -1.7177E+01 -1.3690E+01 H2 1140 1.008000 0.423800 1.1736E+01 -1.8509E+01 -1.3827E+01 O6 1141 15.999400 -0.847600 1.2166E+01 1.5460E+01 1.8409E+01 H1 1142 1.008000 0.423800 1.1525E+01 1.6074E+01 1.8870E+01 H2 1143 1.008000 0.423800 1.1665E+01 1.4861E+01 1.7786E+01 O6 1144 15.999400 -0.847600 4.1896E+00 -5.9992E+00 -4.9154E+00 H1 1145 1.008000 0.423800 3.2081E+00 -6.1879E+00 -4.9497E+00 H2 1146 1.008000 0.423800 4.5635E+00 -6.3352E+00 -4.0510E+00 O6 1147 15.999400 -0.847600 1.7259E+01 4.8169E-01 -1.0957E+01 H1 1148 1.008000 0.423800 1.6824E+01 1.3807E+00 -1.1006E+01 H2 1149 1.008000 0.423800 1.8127E+01 5.5806E-01 -1.0466E+01 O6 1150 15.999400 -0.847600 -3.5254E+00 -1.3335E+01 -1.5894E+01 H1 1151 1.008000 0.423800 -2.5832E+00 -1.3512E+01 -1.6179E+01 H2 1152 1.008000 0.423800 -3.5333E+00 -1.2622E+01 -1.5193E+01 O6 1153 15.999400 -0.847600 -1.1494E+01 -1.5448E+01 1.1353E+01 H1 1154 1.008000 0.423800 -1.1685E+01 -1.6024E+01 1.0558E+01 H2 1155 1.008000 0.423800 -1.0642E+01 -1.4945E+01 1.1203E+01 O6 1156 15.999400 -0.847600 5.5263E+00 8.0892E+00 4.3658E+00 H1 1157 1.008000 0.423800 6.2322E+00 8.6286E+00 4.8250E+00 H2 1158 1.008000 0.423800 5.4377E+00 7.2020E+00 4.8185E+00 O6 1159 15.999400 -0.847600 3.8324E+00 8.6823E+00 -1.6030E+01 H1 1160 1.008000 0.423800 4.6500E+00 9.2456E+00 -1.6150E+01 H2 1161 1.008000 0.423800 3.6759E+00 8.5252E+00 -1.5055E+01 O6 1162 15.999400 -0.847600 -1.6023E+01 1.7915E+01 -2.7125E-01 H1 1163 1.008000 0.423800 -1.6614E+01 1.7126E+01 -4.3850E-01 H2 1164 1.008000 0.423800 -1.5463E+01 1.8089E+01 -1.0813E+00 O6 1165 15.999400 -0.847600 1.6787E+01 -9.4244E+00 -4.3965E+00 H1 1166 1.008000 0.423800 1.7674E+01 -9.5145E+00 -3.9444E+00 H2 1167 1.008000 0.423800 1.6064E+01 -9.3910E+00 -3.7070E+00 O6 1168 15.999400 -0.847600 -8.4456E+00 1.7311E+01 1.3725E+01 H1 1169 1.008000 0.423800 -9.3024E+00 1.6795E+01 1.3719E+01 H2 1170 1.008000 0.423800 -7.7041E+00 1.6721E+01 1.4045E+01 O6 1171 15.999400 -0.847600 1.4526E+01 1.9035E+01 1.0584E+01 H1 1172 1.008000 0.423800 1.4697E+01 1.8218E+01 1.1135E+01 H2 1173 1.008000 0.423800 1.5225E+01 1.9108E+01 9.8728E+00 O6 1174 15.999400 -0.847600 1.2659E+01 -2.0730E+00 1.7085E+01 H1 1175 1.008000 0.423800 1.2041E+01 -1.3520E+00 1.6771E+01 H2 1176 1.008000 0.423800 1.3445E+01 -1.6610E+00 1.7546E+01 O6 1177 15.999400 -0.847600 1.5619E+01 -6.3967E+00 1.1920E+01 H1 1178 1.008000 0.423800 1.4849E+01 -5.8558E+00 1.1580E+01 H2 1179 1.008000 0.423800 1.5379E+01 -6.7982E+00 1.2804E+01 O6 1180 15.999400 -0.847600 6.0622E+00 4.1960E+00 -8.2759E+00 H1 1181 1.008000 0.423800 6.4704E+00 3.5132E+00 -7.6699E+00 H2 1182 1.008000 0.423800 5.0741E+00 4.2273E+00 -8.1249E+00 O6 1183 15.999400 -0.847600 -1.5151E+01 -2.5409E+00 5.2180E+00 H1 1184 1.008000 0.423800 -1.4212E+01 -2.6059E+00 4.8810E+00 H2 1185 1.008000 0.423800 -1.5153E+01 -2.1050E+00 6.1180E+00 O6 1186 15.999400 -0.847600 4.2931E-01 6.1854E+00 -1.4282E+00 H1 1187 1.008000 0.423800 2.0110E-01 6.7390E+00 -6.2730E-01 H2 1188 1.008000 0.423800 1.3978E+00 5.9383E+00 -1.3976E+00 O6 1189 15.999400 -0.847600 1.6249E+01 -1.4134E+01 -1.0202E+01 H1 1190 1.008000 0.423800 1.6085E+01 -1.3206E+01 -9.8676E+00 H2 1191 1.008000 0.423800 1.6295E+01 -1.4764E+01 -9.4271E+00 O6 1192 15.999400 -0.847600 2.0700E+00 1.0245E+01 -1.2326E+00 H1 1193 1.008000 0.423800 2.3976E+00 9.8766E+00 -3.6266E-01 H2 1194 1.008000 0.423800 1.1059E+00 1.0009E+01 -1.3529E+00 O6 1195 15.999400 -0.847600 -1.7831E+01 -8.0776E+00 1.6419E+01 H1 1196 1.008000 0.423800 -1.8146E+01 -7.9524E+00 1.7360E+01 H2 1197 1.008000 0.423800 -1.8617E+01 -8.2484E+00 1.5825E+01 O6 1198 15.999400 -0.847600 8.4778E+00 -1.0955E+01 -1.6037E+01 H1 1199 1.008000 0.423800 9.1978E+00 -1.1570E+01 -1.5714E+01 H2 1200 1.008000 0.423800 7.6439E+00 -1.1480E+01 -1.6208E+01 O6 1201 15.999400 -0.847600 1.7997E+01 1.4278E+01 -6.3809E+00 H1 1202 1.008000 0.423800 1.8688E+01 1.3570E+01 -6.5302E+00 H2 1203 1.008000 0.423800 1.7363E+01 1.3979E+01 -5.6682E+00 O6 1204 15.999400 -0.847600 -1.5296E+01 4.9164E-01 3.4927E+00 H1 1205 1.008000 0.423800 -1.5539E+01 1.3524E+00 3.0455E+00 H2 1206 1.008000 0.423800 -1.5023E+01 6.7249E-01 4.4378E+00 O6 1207 15.999400 -0.847600 -7.3683E+00 -2.1008E-01 5.7878E-01 H1 1208 1.008000 0.423800 -7.3226E+00 -7.3456E-01 -2.7143E-01 H2 1209 1.008000 0.423800 -6.7866E+00 -6.4157E-01 1.2682E+00 O6 1210 15.999400 -0.847600 2.1207E+00 7.1838E+00 9.2445E+00 H1 1211 1.008000 0.423800 1.9576E+00 6.9465E+00 8.2868E+00 H2 1212 1.008000 0.423800 1.4550E+00 7.8708E+00 9.5357E+00 O6 1213 15.999400 -0.847600 1.6805E+01 1.2980E+01 -1.5208E+01 H1 1214 1.008000 0.423800 1.7205E+01 1.3758E+01 -1.5693E+01 H2 1215 1.008000 0.423800 1.6462E+01 1.3283E+01 -1.4318E+01 O6 1216 15.999400 -0.847600 9.0886E+00 1.3268E+01 -9.3122E+00 H1 1217 1.008000 0.423800 9.0819E+00 1.2310E+01 -9.0239E+00 H2 1218 1.008000 0.423800 8.3305E+00 1.3752E+01 -8.8760E+00 O6 1219 15.999400 -0.847600 1.6139E+01 1.3822E+01 -1.2736E+01 H1 1220 1.008000 0.423800 1.5195E+01 1.3997E+01 -1.2457E+01 H2 1221 1.008000 0.423800 1.6764E+01 1.4238E+01 -1.2075E+01 O6 1222 15.999400 -0.847600 1.1421E+01 1.7026E+01 -2.6735E+00 H1 1223 1.008000 0.423800 1.1984E+01 1.7830E+01 -2.4799E+00 H2 1224 1.008000 0.423800 1.1371E+01 1.6450E+01 -1.8579E+00 O6 1225 15.999400 -0.847600 -2.7662E+00 1.1880E+00 5.6041E+00 H1 1226 1.008000 0.423800 -3.1604E+00 2.0801E+00 5.8250E+00 H2 1227 1.008000 0.423800 -3.2596E+00 4.7356E-01 6.1003E+00 O6 1228 15.999400 -0.847600 1.2571E+00 -7.2027E+00 -1.4243E+01 H1 1229 1.008000 0.423800 5.5190E-01 -6.7110E+00 -1.4754E+01 H2 1230 1.008000 0.423800 8.5525E-01 -8.0126E+00 -1.3816E+01 O6 1231 15.999400 -0.847600 -3.8383E+00 -1.9450E+01 4.7712E+00 H1 1232 1.008000 0.423800 -3.2303E+00 1.9273E+01 4.0711E+00 H2 1233 1.008000 0.423800 -3.3203E+00 -1.8840E+01 5.3703E+00 O6 1234 15.999400 -0.847600 6.4589E-01 -1.8765E+01 -1.5458E+01 H1 1235 1.008000 0.423800 1.3791E+00 -1.8415E+01 -1.4875E+01 H2 1236 1.008000 0.423800 -3.7945E-02 -1.9226E+01 -1.4893E+01 O6 1237 15.999400 -0.847600 -1.2700E+01 1.6798E+01 -1.7384E+01 H1 1238 1.008000 0.423800 -1.1877E+01 1.6232E+01 -1.7332E+01 H2 1239 1.008000 0.423800 -1.3394E+01 1.6326E+01 -1.7927E+01 O6 1240 15.999400 -0.847600 -8.2183E+00 -4.0897E+00 9.1070E-01 H1 1241 1.008000 0.423800 -8.9264E+00 -4.4615E+00 3.1038E-01 H2 1242 1.008000 0.423800 -7.3170E+00 -4.3441E+00 5.6026E-01 O6 1243 15.999400 -0.847600 9.3520E+00 1.9542E+01 -6.0616E+00 H1 1244 1.008000 0.423800 9.1314E+00 -1.9088E+01 -5.2057E+00 H2 1245 1.008000 0.423800 8.5149E+00 1.9402E+01 -6.5905E+00 O6 1246 15.999400 -0.847600 1.1560E+01 9.1408E+00 1.8649E+01 H1 1247 1.008000 0.423800 1.2459E+01 9.4704E+00 1.8361E+01 H2 1248 1.008000 0.423800 1.1495E+01 9.1781E+00 -1.9451E+01 O6 1249 15.999400 -0.847600 -4.6099E+00 -3.6125E+00 1.3766E+01 H1 1250 1.008000 0.423800 -5.2509E+00 -4.3124E+00 1.4081E+01 H2 1251 1.008000 0.423800 -5.0986E+00 -2.7511E+00 1.3627E+01 O6 1252 15.999400 -0.847600 4.4470E-01 1.9315E+01 1.5786E+01 H1 1253 1.008000 0.423800 5.6045E-01 1.8874E+01 1.6677E+01 H2 1254 1.008000 0.423800 -5.2852E-01 1.9360E+01 1.5561E+01 O6 1255 15.999400 -0.847600 -7.7273E+00 2.4393E+00 -2.9371E+00 H1 1256 1.008000 0.423800 -8.4524E+00 1.7957E+00 -2.6921E+00 H2 1257 1.008000 0.423800 -8.0615E+00 3.0654E+00 -3.6416E+00 O6 1258 15.999400 -0.847600 -1.1837E+00 -7.5123E+00 2.2460E-01 H1 1259 1.008000 0.423800 -8.6804E-01 -6.5639E+00 1.9300E-01 H2 1260 1.008000 0.423800 -1.7690E+00 -7.6422E+00 1.0249E+00 O6 1261 15.999400 -0.847600 -1.2674E+01 1.1304E+01 -1.5431E+01 H1 1262 1.008000 0.423800 -1.2079E+01 1.1341E+01 -1.6234E+01 H2 1263 1.008000 0.423800 -1.2884E+01 1.0351E+01 -1.5214E+01 O6 1264 15.999400 -0.847600 1.3965E+01 -4.1184E+00 -1.0035E+01 H1 1265 1.008000 0.423800 1.4860E+01 -4.4835E+00 -1.0290E+01 H2 1266 1.008000 0.423800 1.3249E+01 -4.6304E+00 -1.0508E+01 O6 1267 15.999400 -0.847600 -1.7087E+01 1.9496E+01 -1.4256E+01 H1 1268 1.008000 0.423800 -1.6378E+01 1.8792E+01 -1.4223E+01 H2 1269 1.008000 0.423800 -1.7754E+01 1.9332E+01 -1.3529E+01 O6 1270 15.999400 -0.847600 -1.5254E+01 1.8321E+01 1.7829E+01 H1 1271 1.008000 0.423800 -1.5682E+01 1.7602E+01 1.7280E+01 H2 1272 1.008000 0.423800 -1.5898E+01 1.9076E+01 1.7949E+01 O6 1273 15.999400 -0.847600 -1.8529E+01 1.0226E+01 1.7844E+01 H1 1274 1.008000 0.423800 -1.9001E+01 9.5115E+00 1.8361E+01 H2 1275 1.008000 0.423800 -1.7611E+01 1.0356E+01 1.8217E+01 O6 1276 15.999400 -0.847600 1.3997E+01 2.5831E+00 1.8055E+01 H1 1277 1.008000 0.423800 1.3730E+01 3.2337E+00 1.8766E+01 H2 1278 1.008000 0.423800 1.4049E+01 1.6644E+00 1.8446E+01 O6 1279 15.999400 -0.847600 -1.1500E+01 7.7706E+00 -8.5221E+00 H1 1280 1.008000 0.423800 -1.2300E+01 7.3959E+00 -8.0537E+00 H2 1281 1.008000 0.423800 -1.0668E+01 7.4315E+00 -8.0833E+00 O6 1282 15.999400 -0.847600 -1.3702E+01 -1.1762E+01 -6.7601E+00 H1 1283 1.008000 0.423800 -1.4193E+01 -1.2508E+01 -7.2099E+00 H2 1284 1.008000 0.423800 -1.4060E+01 -1.0885E+01 -7.0825E+00 O6 1285 15.999400 -0.847600 -8.3708E+00 -1.2796E+01 -7.9893E+00 H1 1286 1.008000 0.423800 -7.7488E+00 -1.3454E+01 -8.4144E+00 H2 1287 1.008000 0.423800 -9.3151E+00 -1.3098E+01 -8.1199E+00 O6 1288 15.999400 -0.847600 -1.5472E+01 -1.1677E+00 -2.0073E+00 H1 1289 1.008000 0.423800 -1.5698E+01 -7.3051E-01 -2.8779E+00 H2 1290 1.008000 0.423800 -1.6260E+01 -1.1139E+00 -1.3936E+00 O6 1291 15.999400 -0.847600 -5.8101E-01 -1.4283E+01 -1.0961E+01 H1 1292 1.008000 0.423800 1.3510E-01 -1.4880E+01 -1.1322E+01 H2 1293 1.008000 0.423800 -9.3009E-01 -1.4661E+01 -1.0103E+01 O6 1294 15.999400 -0.847600 3.1211E+00 -1.7110E+01 1.7935E+01 H1 1295 1.008000 0.423800 3.1820E+00 -1.6290E+01 1.7367E+01 H2 1296 1.008000 0.423800 3.5411E+00 -1.7880E+01 1.7455E+01 O6 1297 15.999400 -0.847600 -7.1396E+00 1.5881E+01 4.2769E+00 H1 1298 1.008000 0.423800 -6.9639E+00 1.5453E+01 3.3907E+00 H2 1299 1.008000 0.423800 -6.8048E+00 1.6823E+01 4.2635E+00 O6 1300 15.999400 -0.847600 1.4690E+00 2.9373E+00 -4.9207E+00 H1 1301 1.008000 0.423800 2.3035E+00 2.4446E+00 -5.1674E+00 H2 1302 1.008000 0.423800 1.0082E+00 2.4590E+00 -4.1731E+00 O6 1303 15.999400 -0.847600 -1.0033E+00 -3.9184E+00 6.6873E+00 H1 1304 1.008000 0.423800 -1.5587E+00 -4.5218E+00 7.2597E+00 H2 1305 1.008000 0.423800 -1.1068E-01 -4.3397E+00 6.5270E+00 O6 1306 15.999400 -0.847600 1.0547E+01 -1.6214E+01 1.0117E+01 H1 1307 1.008000 0.423800 1.1531E+01 -1.6373E+01 1.0205E+01 H2 1308 1.008000 0.423800 1.0117E+01 -1.6281E+01 1.1017E+01 O6 1309 15.999400 -0.847600 5.0845E+00 1.4719E+01 1.8222E+01 H1 1310 1.008000 0.423800 5.8022E+00 1.4471E+01 1.7571E+01 H2 1311 1.008000 0.423800 4.4093E+00 1.3983E+01 1.8269E+01 O6 1312 15.999400 -0.847600 -3.9542E+00 -9.3989E+00 1.9336E+01 H1 1313 1.008000 0.423800 -4.5665E+00 -8.9341E+00 1.8697E+01 H2 1314 1.008000 0.423800 -3.5442E+00 -1.0193E+01 1.8888E+01 O6 1315 15.999400 -0.847600 1.2912E+01 -7.6220E+00 9.5383E+00 H1 1316 1.008000 0.423800 1.3216E+01 -6.7385E+00 9.8954E+00 H2 1317 1.008000 0.423800 1.3709E+01 -8.1920E+00 9.3384E+00 O6 1318 15.999400 -0.847600 -1.8321E+01 1.1860E+01 2.3432E+00 H1 1319 1.008000 0.423800 -1.7924E+01 1.1961E+01 3.2552E+00 H2 1320 1.008000 0.423800 -1.7597E+01 1.1659E+01 1.6841E+00 O6 1321 15.999400 -0.847600 -4.0593E+00 -1.1151E+00 -6.2722E+00 H1 1322 1.008000 0.423800 -3.3821E+00 -4.9266E-01 -5.8798E+00 H2 1323 1.008000 0.423800 -4.3216E+00 -1.7961E+00 -5.5885E+00 O6 1324 15.999400 -0.847600 -6.1512E+00 7.6146E+00 -9.9480E-01 H1 1325 1.008000 0.423800 -6.8843E+00 6.9778E+00 -7.5573E-01 H2 1326 1.008000 0.423800 -6.5003E+00 8.5512E+00 -9.6447E-01 O6 1327 15.999400 -0.847600 -1.1163E+01 -2.8193E+00 1.6628E+01 H1 1328 1.008000 0.423800 -1.1021E+01 -2.1671E+00 1.5883E+01 H2 1329 1.008000 0.423800 -1.2124E+01 -2.8062E+00 1.6904E+01 O6 1330 15.999400 -0.847600 1.3615E+01 -6.5238E+00 1.8939E+01 H1 1331 1.008000 0.423800 1.2849E+01 -6.0153E+00 1.8545E+01 H2 1332 1.008000 0.423800 1.4082E+01 -7.0340E+00 1.8218E+01 O6 1333 15.999400 -0.847600 -7.2850E+00 -1.9273E+01 -1.1206E+01 H1 1334 1.008000 0.423800 -7.6755E+00 -1.8770E+01 -1.1977E+01 H2 1335 1.008000 0.423800 -6.3208E+00 -1.9466E+01 -1.1388E+01 O6 1336 15.999400 -0.847600 -9.2058E+00 1.4668E+01 -5.3412E+00 H1 1337 1.008000 0.423800 -8.3126E+00 1.4476E+01 -5.7479E+00 H2 1338 1.008000 0.423800 -9.9231E+00 1.4498E+01 -6.0170E+00 O6 1339 15.999400 -0.847600 1.6735E+01 1.3631E+01 -3.6501E+00 H1 1340 1.008000 0.423800 1.5772E+01 1.3871E+01 -3.7754E+00 H2 1341 1.008000 0.423800 1.7049E+01 1.3966E+01 -2.7616E+00 O6 1342 15.999400 -0.847600 -5.4016E+00 3.9878E+00 -1.4058E+01 H1 1343 1.008000 0.423800 -5.9577E+00 3.4064E+00 -1.4652E+01 H2 1344 1.008000 0.423800 -5.7041E+00 3.8826E+00 -1.3111E+01 O6 1345 15.999400 -0.847600 1.3381E+01 1.6074E+01 -1.7881E+01 H1 1346 1.008000 0.423800 1.3435E+01 1.5633E+01 -1.8777E+01 H2 1347 1.008000 0.423800 1.4246E+01 1.6535E+01 -1.7684E+01 O6 1348 15.999400 -0.847600 1.2777E+01 -9.9783E+00 -1.7388E+01 H1 1349 1.008000 0.423800 1.1880E+01 -9.5580E+00 -1.7248E+01 H2 1350 1.008000 0.423800 1.2797E+01 -1.0875E+01 -1.6946E+01 O6 1351 15.999400 -0.847600 1.1648E+01 8.7006E+00 -1.7578E+01 H1 1352 1.008000 0.423800 1.1923E+01 9.4498E+00 -1.6975E+01 H2 1353 1.008000 0.423800 1.2123E+01 7.8633E+00 -1.7306E+01 O6 1354 15.999400 -0.847600 -3.0748E+00 4.3266E+00 1.1494E+01 H1 1355 1.008000 0.423800 -3.1247E+00 5.0420E+00 1.2191E+01 H2 1356 1.008000 0.423800 -2.1289E+00 4.0151E+00 1.1403E+01 O6 1357 15.999400 -0.847600 5.3618E+00 7.9436E+00 1.2192E+01 H1 1358 1.008000 0.423800 4.6521E+00 7.3270E+00 1.1851E+01 H2 1359 1.008000 0.423800 4.9354E+00 8.7620E+00 1.2577E+01 O6 1360 15.999400 -0.847600 -7.0948E+00 -4.9610E+00 -6.6577E+00 H1 1361 1.008000 0.423800 -6.5378E+00 -5.7883E+00 -6.7312E+00 H2 1362 1.008000 0.423800 -6.8336E+00 -4.4554E+00 -5.8353E+00 O6 1363 15.999400 -0.847600 -3.0330E+00 1.8582E+00 9.5403E-01 H1 1364 1.008000 0.423800 -3.1641E+00 1.2255E+00 1.7173E+00 H2 1365 1.008000 0.423800 -3.8470E+00 1.8529E+00 3.7324E-01 O6 1366 15.999400 -0.847600 4.2930E+00 -1.8451E+01 1.2962E+01 H1 1367 1.008000 0.423800 5.0919E+00 -1.8981E+01 1.2676E+01 H2 1368 1.008000 0.423800 3.5353E+00 -1.9072E+01 1.3161E+01 O6 1369 15.999400 -0.847600 -1.0594E+01 -2.2936E+00 1.6846E+00 H1 1370 1.008000 0.423800 -9.7516E+00 -2.8081E+00 1.5240E+00 H2 1371 1.008000 0.423800 -1.0444E+01 -1.6293E+00 2.4169E+00 O6 1372 15.999400 -0.847600 9.1293E+00 -1.5777E+01 -1.7023E+00 H1 1373 1.008000 0.423800 9.8835E+00 -1.5585E+01 -2.3303E+00 H2 1374 1.008000 0.423800 9.2994E+00 -1.5322E+01 -8.2827E-01 O6 1375 15.999400 -0.847600 1.5395E+01 -1.8335E+01 1.3684E+01 H1 1376 1.008000 0.423800 1.5738E+01 -1.7511E+01 1.4135E+01 H2 1377 1.008000 0.423800 1.5480E+01 -1.9115E+01 1.4304E+01 O6 1378 15.999400 -0.847600 1.1338E+01 4.5111E+00 1.2809E+01 H1 1379 1.008000 0.423800 1.0952E+01 4.3861E+00 1.3723E+01 H2 1380 1.008000 0.423800 1.1876E+01 5.3535E+00 1.2787E+01 O6 1381 15.999400 -0.847600 -1.6062E+01 2.0619E+00 -6.0599E+00 H1 1382 1.008000 0.423800 -1.5682E+01 2.5867E+00 -6.8216E+00 H2 1383 1.008000 0.423800 -1.6960E+01 2.4282E+00 -5.8182E+00 O6 1384 15.999400 -0.847600 1.4493E+01 9.0019E+00 1.2076E+01 H1 1385 1.008000 0.423800 1.4039E+01 8.4110E+00 1.1409E+01 H2 1386 1.008000 0.423800 1.3890E+01 9.1405E+00 1.2862E+01 O6 1387 15.999400 -0.847600 -5.3691E+00 1.1914E+01 -5.0009E+00 H1 1388 1.008000 0.423800 -6.1950E+00 1.1388E+01 -4.7970E+00 H2 1389 1.008000 0.423800 -5.6256E+00 1.2811E+01 -5.3607E+00 O6 1390 15.999400 -0.847600 -3.8001E+00 -1.0076E+01 7.4423E+00 H1 1391 1.008000 0.423800 -2.9127E+00 -1.0384E+01 7.7850E+00 H2 1392 1.008000 0.423800 -4.1397E+00 -1.0727E+01 6.7635E+00 O6 1393 15.999400 -0.847600 1.6599E+01 1.0449E+01 -7.2130E+00 H1 1394 1.008000 0.423800 1.5829E+01 1.0856E+01 -7.7051E+00 H2 1395 1.008000 0.423800 1.6265E+01 1.0006E+01 -6.3812E+00 O6 1396 15.999400 -0.847600 -1.1142E+01 1.6567E+01 1.0813E+01 H1 1397 1.008000 0.423800 -1.2097E+01 1.6865E+01 1.0782E+01 H2 1398 1.008000 0.423800 -1.0613E+01 1.7072E+01 1.0131E+01 O6 1399 15.999400 -0.847600 9.7306E+00 -1.1699E+01 -6.9823E+00 H1 1400 1.008000 0.423800 8.7357E+00 -1.1739E+01 -6.8896E+00 H2 1401 1.008000 0.423800 1.0045E+01 -1.0768E+01 -6.7961E+00 O6 1402 15.999400 -0.847600 7.2645E+00 -2.1840E+00 -8.2419E-01 H1 1403 1.008000 0.423800 6.5564E+00 -1.4822E+00 -7.4546E-01 H2 1404 1.008000 0.423800 7.0360E+00 -2.8054E+00 -1.5736E+00 O6 1405 15.999400 -0.847600 1.0190E+01 1.2101E+01 -1.3775E+00 H1 1406 1.008000 0.423800 1.0183E+01 1.2261E+01 -2.3645E+00 H2 1407 1.008000 0.423800 1.0194E+01 1.1117E+01 -1.1997E+00 O6 1408 15.999400 -0.847600 -4.3915E+00 1.6006E+01 3.4182E+00 H1 1409 1.008000 0.423800 -4.3247E+00 1.6783E+01 2.7931E+00 H2 1410 1.008000 0.423800 -4.9008E+00 1.5267E+01 2.9773E+00 O6 1411 15.999400 -0.847600 -9.1271E+00 9.2121E+00 -2.3499E+00 H1 1412 1.008000 0.423800 -9.1705E+00 8.3579E+00 -2.8680E+00 H2 1413 1.008000 0.423800 -9.9059E+00 9.2625E+00 -1.7247E+00 O6 1414 15.999400 -0.847600 1.8727E+01 -9.9237E+00 -8.4589E+00 H1 1415 1.008000 0.423800 1.9293E+01 -1.0353E+01 -9.1631E+00 H2 1416 1.008000 0.423800 1.8113E+01 -9.2589E+00 -8.8842E+00 O6 1417 15.999400 -0.847600 -1.1371E+01 -6.7840E+00 8.0365E+00 H1 1418 1.008000 0.423800 -1.0729E+01 -7.2436E+00 7.4236E+00 H2 1419 1.008000 0.423800 -1.1769E+01 -7.4527E+00 8.6649E+00 O6 1420 15.999400 -0.847600 1.6093E+01 -1.6437E+01 1.5543E+01 H1 1421 1.008000 0.423800 1.6777E+01 -1.6950E+01 1.6063E+01 H2 1422 1.008000 0.423800 1.5489E+01 -1.5953E+01 1.6176E+01 O6 1423 15.999400 -0.847600 1.0565E+00 1.9240E+01 4.7289E+00 H1 1424 1.008000 0.423800 1.7790E+00 1.9274E+01 5.4194E+00 H2 1425 1.008000 0.423800 1.3706E+00 -1.9402E+01 3.8956E+00 O6 1426 15.999400 -0.847600 -6.6381E+00 -1.7124E+00 -2.4873E+00 H1 1427 1.008000 0.423800 -7.5858E+00 -1.9306E+00 -2.7203E+00 H2 1428 1.008000 0.423800 -6.1921E+00 -2.5244E+00 -2.1107E+00 O6 1429 15.999400 -0.847600 -4.4937E-01 -1.5293E+01 1.5125E+01 H1 1430 1.008000 0.423800 -8.4137E-01 -1.6089E+01 1.4664E+01 H2 1431 1.008000 0.423800 3.2370E-01 -1.4947E+01 1.4593E+01 O6 1432 15.999400 -0.847600 -7.0130E+00 2.8375E+00 -1.5890E+01 H1 1433 1.008000 0.423800 -6.6352E+00 1.9205E+00 -1.5762E+01 H2 1434 1.008000 0.423800 -7.7578E+00 2.9852E+00 -1.5239E+01 O6 1435 15.999400 -0.847600 1.6100E+01 -3.8117E+00 1.6990E+01 H1 1436 1.008000 0.423800 1.6958E+01 -4.2545E+00 1.7249E+01 H2 1437 1.008000 0.423800 1.6207E+01 -2.8189E+00 1.7044E+01 O6 1438 15.999400 -0.847600 -9.9302E+00 2.4857E+00 -1.1970E+01 H1 1439 1.008000 0.423800 -1.0299E+01 1.7467E+00 -1.2534E+01 H2 1440 1.008000 0.423800 -9.6523E+00 2.1202E+00 -1.1082E+01 O6 1441 15.999400 -0.847600 -4.7266E+00 1.1723E+01 -1.1349E+00 H1 1442 1.008000 0.423800 -5.6699E+00 1.1416E+01 -1.0086E+00 H2 1443 1.008000 0.423800 -4.1826E+00 1.0979E+01 -1.5210E+00 O6 1444 15.999400 -0.847600 7.5439E+00 8.7668E+00 1.8971E-01 H1 1445 1.008000 0.423800 7.2808E+00 8.0185E+00 -4.1929E-01 H2 1446 1.008000 0.423800 8.0099E+00 9.4774E+00 -3.3746E-01 O6 1447 15.999400 -0.847600 6.1407E+00 -1.8570E+01 -1.2016E+01 H1 1448 1.008000 0.423800 5.9261E+00 -1.8689E+01 -1.2985E+01 H2 1449 1.008000 0.423800 7.1330E+00 -1.8567E+01 -1.1892E+01 O6 1450 15.999400 -0.847600 -1.4581E+01 -1.3322E+01 9.0134E-02 H1 1451 1.008000 0.423800 -1.5322E+01 -1.2653E+01 3.7341E-02 H2 1452 1.008000 0.423800 -1.3706E+01 -1.2845E+01 1.7421E-01 O6 1453 15.999400 -0.847600 9.7278E+00 7.8024E+00 -1.2240E+01 H1 1454 1.008000 0.423800 1.0111E+01 7.3425E+00 -1.1439E+01 H2 1455 1.008000 0.423800 8.7793E+00 8.0596E+00 -1.2055E+01 O6 1456 15.999400 -0.847600 5.9357E+00 -4.0050E+00 -5.5281E+00 H1 1457 1.008000 0.423800 5.1740E+00 -4.6345E+00 -5.6817E+00 H2 1458 1.008000 0.423800 6.4558E+00 -3.8982E+00 -6.3755E+00 O6 1459 15.999400 -0.847600 1.9390E+01 1.8638E+01 -9.5252E-01 H1 1460 1.008000 0.423800 1.9525E+01 1.8982E+01 -2.3346E-02 H2 1461 1.008000 0.423800 -1.9171E+01 1.7804E+01 -1.0812E+00 O6 1462 15.999400 -0.847600 1.5509E+01 1.6619E+01 1.1546E+01 H1 1463 1.008000 0.423800 1.6401E+01 1.6607E+01 1.1093E+01 H2 1464 1.008000 0.423800 1.5576E+01 1.7133E+01 1.2401E+01 O6 1465 15.999400 -0.847600 -1.3536E+01 6.0658E+00 -1.0969E+01 H1 1466 1.008000 0.423800 -1.2987E+01 5.2310E+00 -1.0921E+01 H2 1467 1.008000 0.423800 -1.4446E+01 5.8890E+00 -1.0593E+01 O6 1468 15.999400 -0.847600 6.5149E+00 -1.8979E+00 7.0379E+00 H1 1469 1.008000 0.423800 7.4175E+00 -1.6148E+00 7.3623E+00 H2 1470 1.008000 0.423800 5.8139E+00 -1.5595E+00 7.6656E+00 O6 1471 15.999400 -0.847600 1.7629E+01 1.6547E+01 6.7155E+00 H1 1472 1.008000 0.423800 1.8413E+01 1.6143E+01 6.2439E+00 H2 1473 1.008000 0.423800 1.6783E+01 1.6222E+01 6.2938E+00 O6 1474 15.999400 -0.847600 9.6841E+00 -1.5956E+01 1.3355E+01 H1 1475 1.008000 0.423800 1.0169E+01 -1.6830E+01 1.3388E+01 H2 1476 1.008000 0.423800 8.8486E+00 -1.6017E+01 1.3901E+01 O6 1477 15.999400 -0.847600 7.8909E+00 1.1318E+01 -1.3518E+01 H1 1478 1.008000 0.423800 8.7377E+00 1.1663E+01 -1.3923E+01 H2 1479 1.008000 0.423800 7.1585E+00 1.1984E+01 -1.3660E+01 O6 1480 15.999400 -0.847600 -5.0272E+00 -1.1241E+01 -7.8660E+00 H1 1481 1.008000 0.423800 -5.6254E+00 -1.1626E+01 -7.1629E+00 H2 1482 1.008000 0.423800 -4.4102E+00 -1.1952E+01 -8.2036E+00 O6 1483 15.999400 -0.847600 -5.4513E+00 1.7417E+01 -9.0729E+00 H1 1484 1.008000 0.423800 -4.4939E+00 1.7443E+01 -8.7851E+00 H2 1485 1.008000 0.423800 -5.9095E+00 1.8257E+01 -8.7807E+00 O6 1486 15.999400 -0.847600 -1.5318E+01 1.6450E+01 -5.7236E+00 H1 1487 1.008000 0.423800 -1.5508E+01 1.6251E+01 -6.6850E+00 H2 1488 1.008000 0.423800 -1.6154E+01 1.6768E+01 -5.2774E+00 O6 1489 15.999400 -0.847600 1.1859E+01 -1.0582E+00 -7.1509E+00 H1 1490 1.008000 0.423800 1.1344E+01 -1.7517E+00 -6.6472E+00 H2 1491 1.008000 0.423800 1.2658E+01 -1.4819E+00 -7.5793E+00 O6 1492 15.999400 -0.847600 -1.5667E+01 5.0359E+00 1.0017E+01 H1 1493 1.008000 0.423800 -1.5832E+01 4.7751E+00 1.0968E+01 H2 1494 1.008000 0.423800 -1.6399E+01 4.6717E+00 9.4402E+00 O6 1495 15.999400 -0.847600 -1.2377E+01 -1.4517E+01 -1.4563E+01 H1 1496 1.008000 0.423800 -1.2765E+01 -1.3603E+01 -1.4444E+01 H2 1497 1.008000 0.423800 -1.1956E+01 -1.4585E+01 -1.5467E+01 O6 1498 15.999400 -0.847600 1.0817E+01 1.2307E+01 -4.1048E+00 H1 1499 1.008000 0.423800 1.0210E+01 1.1688E+01 -4.6035E+00 H2 1500 1.008000 0.423800 1.1064E+01 1.3077E+01 -4.6929E+00 O6 1501 15.999400 -0.847600 -1.7435E+01 1.8126E+01 2.6120E+00 H1 1502 1.008000 0.423800 -1.7120E+01 1.8070E+01 3.5597E+00 H2 1503 1.008000 0.423800 -1.6933E+01 1.8849E+01 2.1370E+00 O6 1504 15.999400 -0.847600 2.7687E+00 1.2818E+01 2.8498E-01 H1 1505 1.008000 0.423800 2.4614E+00 1.2272E+01 -4.9474E-01 H2 1506 1.008000 0.423800 2.3204E+00 1.3711E+01 2.6383E-01 O6 1507 15.999400 -0.847600 -1.7988E+01 1.6317E+01 -1.0547E+01 H1 1508 1.008000 0.423800 -1.8624E+01 1.6014E+01 -9.8365E+00 H2 1509 1.008000 0.423800 -1.8466E+01 1.6917E+01 -1.1188E+01 O6 1510 15.999400 -0.847600 -8.6571E+00 9.8089E+00 1.7043E+00 H1 1511 1.008000 0.423800 -9.6474E+00 9.6946E+00 1.6251E+00 H2 1512 1.008000 0.423800 -8.4581E+00 1.0641E+01 2.2226E+00 O6 1513 15.999400 -0.847600 8.2021E+00 -1.5859E+01 4.4163E+00 H1 1514 1.008000 0.423800 8.4249E+00 -1.6004E+01 5.3803E+00 H2 1515 1.008000 0.423800 7.2402E+00 -1.5599E+01 4.3319E+00 O6 1516 15.999400 -0.847600 4.5262E+00 -1.0900E+01 1.0051E+00 H1 1517 1.008000 0.423800 5.3828E+00 -1.0447E+01 7.5792E-01 H2 1518 1.008000 0.423800 3.7765E+00 -1.0239E+01 9.6553E-01 O6 1519 15.999400 -0.847600 1.2219E+01 -7.6590E+00 -1.3133E+01 H1 1520 1.008000 0.423800 1.2687E+01 -8.2773E+00 -1.2501E+01 H2 1521 1.008000 0.423800 1.1324E+01 -7.4152E+00 -1.2759E+01 O6 1522 15.999400 -0.847600 -1.7181E+01 1.3333E+01 -4.7794E+00 H1 1523 1.008000 0.423800 -1.7620E+01 1.2669E+01 -5.3841E+00 H2 1524 1.008000 0.423800 -1.7869E+01 1.3966E+01 -4.4228E+00 O6 1525 15.999400 -0.847600 -1.5388E+01 -1.0071E+01 1.9234E+01 H1 1526 1.008000 0.423800 -1.4754E+01 -1.0654E+01 -1.9356E+01 H2 1527 1.008000 0.423800 -1.5066E+01 -9.1249E+00 1.9261E+01 O6 1528 15.999400 -0.847600 8.2050E+00 1.4634E+01 1.0590E+01 H1 1529 1.008000 0.423800 7.8876E+00 1.5432E+01 1.0077E+01 H2 1530 1.008000 0.423800 8.2691E+00 1.3847E+01 9.9762E+00 O6 1531 15.999400 -0.847600 -5.7273E+00 9.3327E+00 2.6179E+00 H1 1532 1.008000 0.423800 -5.6773E+00 8.3410E+00 2.7365E+00 H2 1533 1.008000 0.423800 -6.4565E+00 9.5547E+00 1.9706E+00 O6 1534 15.999400 -0.847600 -1.5977E+01 1.6149E+01 -8.1956E+00 H1 1535 1.008000 0.423800 -1.5118E+01 1.5967E+01 -8.6743E+00 H2 1536 1.008000 0.423800 -1.6702E+01 1.6315E+01 -8.8638E+00 O6 1537 15.999400 -0.847600 1.4541E+01 -1.8469E+01 6.5180E+00 H1 1538 1.008000 0.423800 1.5270E+01 -1.9126E+01 6.3258E+00 H2 1539 1.008000 0.423800 1.3722E+01 -1.8718E+01 5.9996E+00 O6 1540 15.999400 -0.847600 1.3172E+01 1.5053E+01 1.0500E+01 H1 1541 1.008000 0.423800 1.3867E+01 1.5525E+01 1.1042E+01 H2 1542 1.008000 0.423800 1.2303E+01 1.5055E+01 1.0996E+01 O6 1543 15.999400 -0.847600 1.2770E+01 1.3783E+01 1.3616E+01 H1 1544 1.008000 0.423800 1.2757E+01 1.2914E+01 1.4112E+01 H2 1545 1.008000 0.423800 1.3489E+01 1.3759E+01 1.2921E+01 O6 1546 15.999400 -0.847600 7.6082E+00 4.4653E+00 -5.1777E+00 H1 1547 1.008000 0.423800 7.6925E+00 5.4433E+00 -4.9871E+00 H2 1548 1.008000 0.423800 6.7199E+00 4.1382E+00 -4.8555E+00 O6 1549 15.999400 -0.847600 -1.6777E+01 1.6594E+01 5.6348E+00 H1 1550 1.008000 0.423800 -1.6438E+01 1.6000E+01 4.9052E+00 H2 1551 1.008000 0.423800 -1.7326E+01 1.6055E+01 6.2741E+00 O6 1552 15.999400 -0.847600 -4.7464E+00 1.3021E+01 -1.2002E+01 H1 1553 1.008000 0.423800 -4.8373E+00 1.3143E+01 -1.2991E+01 H2 1554 1.008000 0.423800 -5.6547E+00 1.2945E+01 -1.1591E+01 O6 1555 15.999400 -0.847600 2.3246E+00 -1.7070E+01 -5.5933E-03 H1 1556 1.008000 0.423800 3.0754E+00 -1.6858E+01 -6.3116E-01 H2 1557 1.008000 0.423800 1.9831E+00 -1.6225E+01 4.0443E-01 O6 1558 15.999400 -0.847600 1.4910E+01 -1.3839E+01 8.2770E+00 H1 1559 1.008000 0.423800 1.4607E+01 -1.3333E+01 9.0847E+00 H2 1560 1.008000 0.423800 1.4382E+01 -1.4685E+01 8.1969E+00 O6 1561 15.999400 -0.847600 1.6122E+01 1.8079E-01 1.3711E+00 H1 1562 1.008000 0.423800 1.6822E+01 -5.2203E-01 1.4952E+00 H2 1563 1.008000 0.423800 1.6561E+01 1.0685E+00 1.2337E+00 O6 1564 15.999400 -0.847600 -4.0431E+00 2.2128E+00 -1.0245E+01 H1 1565 1.008000 0.423800 -4.6457E+00 2.8927E+00 -1.0663E+01 H2 1566 1.008000 0.423800 -4.5913E+00 1.5517E+00 -9.7329E+00 O6 1567 15.999400 -0.847600 -1.5882E+00 -1.7063E+01 -1.3703E+01 H1 1568 1.008000 0.423800 -1.8389E+00 -1.6159E+01 -1.3357E+01 H2 1569 1.008000 0.423800 -8.7030E-01 -1.7453E+01 -1.3126E+01 O6 1570 15.999400 -0.847600 -1.2652E+01 -3.9004E+00 -1.8415E+01 H1 1571 1.008000 0.423800 -1.2581E+01 -4.7716E+00 -1.8900E+01 H2 1572 1.008000 0.423800 -1.1753E+01 -3.6402E+00 -1.8063E+01 O6 1573 15.999400 -0.847600 -9.5244E+00 1.6551E+00 -1.7033E+01 H1 1574 1.008000 0.423800 -9.5726E+00 9.7404E-01 -1.6302E+01 H2 1575 1.008000 0.423800 -9.1576E+00 2.5106E+00 -1.6668E+01 O6 1576 15.999400 -0.847600 1.3056E+01 -1.0956E+01 1.9084E+01 H1 1577 1.008000 0.423800 1.3109E+01 -1.0357E+01 -1.9214E+01 H2 1578 1.008000 0.423800 1.2252E+01 -1.1545E+01 1.9161E+01 O6 1579 15.999400 -0.847600 -1.5509E+01 -7.8124E+00 6.8215E+00 H1 1580 1.008000 0.423800 -1.4654E+01 -7.2964E+00 6.7741E+00 H2 1581 1.008000 0.423800 -1.5758E+01 -7.9581E+00 7.7790E+00 O6 1582 15.999400 -0.847600 -1.2308E+01 -7.1864E+00 1.1773E+01 H1 1583 1.008000 0.423800 -1.2544E+01 -7.5579E+00 1.0875E+01 H2 1584 1.008000 0.423800 -1.2918E+01 -6.4238E+00 1.1989E+01 O6 1585 15.999400 -0.847600 -6.7236E-01 -1.0639E+01 -1.8314E+01 H1 1586 1.008000 0.423800 -9.3669E-01 -1.0023E+01 -1.7572E+01 H2 1587 1.008000 0.423800 2.3597E-01 -1.1014E+01 -1.8128E+01 O6 1588 15.999400 -0.847600 1.7790E+01 2.3749E+00 5.3465E+00 H1 1589 1.008000 0.423800 1.7570E+01 1.4348E+00 5.0861E+00 H2 1590 1.008000 0.423800 1.7831E+01 2.4436E+00 6.3433E+00 O6 1591 15.999400 -0.847600 -1.3326E+01 -1.7582E+01 -1.0259E+01 H1 1592 1.008000 0.423800 -1.4197E+01 -1.7133E+01 -1.0059E+01 H2 1593 1.008000 0.423800 -1.2574E+01 -1.7015E+01 -9.9232E+00 O6 1594 15.999400 -0.847600 -2.6242E+00 6.5781E+00 1.3388E+01 H1 1595 1.008000 0.423800 -2.2277E+00 7.4543E+00 1.3114E+01 H2 1596 1.008000 0.423800 -3.6086E+00 6.6866E+00 1.3526E+01 O6 1597 15.999400 -0.847600 1.6129E+01 1.0886E+00 1.0121E+01 H1 1598 1.008000 0.423800 1.6841E+01 9.0080E-01 1.0799E+01 H2 1599 1.008000 0.423800 1.5765E+01 2.2517E-01 9.7725E+00 O6 1600 15.999400 -0.847600 9.8306E+00 -9.9561E-01 1.7343E+01 H1 1601 1.008000 0.423800 9.7867E+00 -1.4742E-01 1.6815E+01 H2 1602 1.008000 0.423800 9.2436E+00 -1.6841E+00 1.6917E+01 O6 1603 15.999400 -0.847600 -1.8832E+01 -8.3363E+00 -6.6032E+00 H1 1604 1.008000 0.423800 -1.9507E+01 -7.8118E+00 -6.0842E+00 H2 1605 1.008000 0.423800 -1.9291E+01 -8.8380E+00 -7.3360E+00 O6 1606 15.999400 -0.847600 -3.7209E+00 1.3270E+01 8.9873E+00 H1 1607 1.008000 0.423800 -2.9444E+00 1.3283E+01 9.6173E+00 H2 1608 1.008000 0.423800 -3.9869E+00 1.4208E+01 8.7665E+00 O6 1609 15.999400 -0.847600 -1.8930E+01 7.3825E+00 9.0504E+00 H1 1610 1.008000 0.423800 1.9544E+01 6.6956E+00 9.4244E+00 H2 1611 1.008000 0.423800 -1.9460E+01 8.1271E+00 8.6443E+00 O6 1612 15.999400 -0.847600 -3.5484E+00 -9.2812E+00 -6.7674E+00 H1 1613 1.008000 0.423800 -4.3083E+00 -9.5240E+00 -7.3704E+00 H2 1614 1.008000 0.423800 -2.9805E+00 -1.0088E+01 -6.6055E+00 O6 1615 15.999400 -0.847600 4.1566E-01 -1.7624E+01 1.7786E+01 H1 1616 1.008000 0.423800 1.3222E+00 -1.7438E+01 1.8165E+01 H2 1617 1.008000 0.423800 5.0785E-01 -1.8175E+01 1.6957E+01 O6 1618 15.999400 -0.847600 1.2517E+01 8.5869E+00 -1.9046E+00 H1 1619 1.008000 0.423800 1.3480E+01 8.7862E+00 -1.7259E+00 H2 1620 1.008000 0.423800 1.2314E+01 7.6470E+00 -1.6295E+00 O6 1621 15.999400 -0.847600 -1.0739E+01 1.7947E+01 -1.1885E+01 H1 1622 1.008000 0.423800 -1.0442E+01 1.7965E+01 -1.0930E+01 H2 1623 1.008000 0.423800 -1.1425E+01 1.8658E+01 -1.2034E+01 O6 1624 15.999400 -0.847600 -4.1237E-01 1.1286E+01 -1.5271E+01 H1 1625 1.008000 0.423800 -1.1766E+00 1.0677E+01 -1.5060E+01 H2 1626 1.008000 0.423800 -3.6948E-01 1.1439E+01 -1.6258E+01 O6 1627 15.999400 -0.847600 7.4320E+00 7.4543E-01 1.3597E+01 H1 1628 1.008000 0.423800 7.3480E+00 8.0408E-01 1.4592E+01 H2 1629 1.008000 0.423800 8.2528E+00 1.2349E+00 1.3302E+01 O6 1630 15.999400 -0.847600 -8.1736E+00 -8.4380E+00 -1.8932E+01 H1 1631 1.008000 0.423800 -7.4875E+00 -7.9398E+00 -1.8402E+01 H2 1632 1.008000 0.423800 -7.8340E+00 -9.3558E+00 -1.9138E+01 O6 1633 15.999400 -0.847600 -9.6115E-01 3.6300E+00 1.7394E+01 H1 1634 1.008000 0.423800 -1.7314E+00 3.5838E+00 1.8030E+01 H2 1635 1.008000 0.423800 -1.2820E+00 3.9573E+00 1.6505E+01 O6 1636 15.999400 -0.847600 -7.4321E+00 -1.3063E+01 -1.4365E+01 H1 1637 1.008000 0.423800 -6.9867E+00 -1.2407E+01 -1.3756E+01 H2 1638 1.008000 0.423800 -8.2156E+00 -1.3473E+01 -1.3898E+01 O6 1639 15.999400 -0.847600 -1.4018E+00 -1.6665E+01 3.1955E+00 H1 1640 1.008000 0.423800 -9.1025E-01 -1.6960E+01 4.0149E+00 H2 1641 1.008000 0.423800 -1.1245E+00 -1.7230E+01 2.4189E+00 O6 1642 15.999400 -0.847600 1.2204E+00 -1.4506E+00 1.9231E+01 H1 1643 1.008000 0.423800 1.3375E+00 -2.0394E+00 -1.9066E+01 H2 1644 1.008000 0.423800 1.4535E+00 -5.0887E-01 1.9474E+01 O6 1645 15.999400 -0.847600 1.3461E+01 1.6740E+01 -1.1175E+01 H1 1646 1.008000 0.423800 1.3756E+01 1.5915E+01 -1.1657E+01 H2 1647 1.008000 0.423800 1.3574E+01 1.7534E+01 -1.1772E+01 O6 1648 15.999400 -0.847600 -1.0357E+01 -7.4522E+00 -1.5427E+01 H1 1649 1.008000 0.423800 -1.0866E+01 -7.9824E+00 -1.4749E+01 H2 1650 1.008000 0.423800 -1.0660E+01 -7.7063E+00 -1.6345E+01 O6 1651 15.999400 -0.847600 -4.2035E+00 8.4990E+00 9.1413E+00 H1 1652 1.008000 0.423800 -3.6528E+00 8.6017E+00 9.9697E+00 H2 1653 1.008000 0.423800 -4.0734E+00 9.2975E+00 8.5536E+00 O6 1654 15.999400 -0.847600 -1.6594E+01 -3.7302E+00 1.4897E+01 H1 1655 1.008000 0.423800 -1.7316E+01 -3.0459E+00 1.4994E+01 H2 1656 1.008000 0.423800 -1.5717E+01 -3.2711E+00 1.4752E+01 O6 1657 15.999400 -0.847600 -1.8498E+00 5.0543E+00 -1.1482E+01 H1 1658 1.008000 0.423800 -2.5048E+00 5.0098E+00 -1.2236E+01 H2 1659 1.008000 0.423800 -1.4049E+00 4.1652E+00 -1.1374E+01 O6 1660 15.999400 -0.847600 -1.1799E+01 -1.1800E+01 8.0489E+00 H1 1661 1.008000 0.423800 -1.0874E+01 -1.1641E+01 8.3941E+00 H2 1662 1.008000 0.423800 -1.1955E+01 -1.2784E+01 7.9578E+00 O6 1663 15.999400 -0.847600 -9.0518E-01 1.1611E+01 -9.0411E+00 H1 1664 1.008000 0.423800 -1.4271E+00 1.1656E+01 -9.8928E+00 H2 1665 1.008000 0.423800 2.7360E-02 1.1933E+01 -9.2041E+00 O6 1666 15.999400 -0.847600 1.8738E+01 1.1894E+01 1.1712E+01 H1 1667 1.008000 0.423800 1.8144E+01 1.1674E+01 1.0939E+01 H2 1668 1.008000 0.423800 1.8210E+01 1.2373E+01 1.2413E+01 O6 1669 15.999400 -0.847600 -8.2704E+00 1.8918E+01 5.8526E+00 H1 1670 1.008000 0.423800 -8.9568E+00 1.8198E+01 5.7526E+00 H2 1671 1.008000 0.423800 -7.7715E+00 1.9025E+01 4.9925E+00 O6 1672 15.999400 -0.847600 3.2300E+00 -3.3533E+00 5.0664E+00 H1 1673 1.008000 0.423800 4.1673E+00 -3.7007E+00 5.0949E+00 H2 1674 1.008000 0.423800 3.1140E+00 -2.7732E+00 4.2602E+00 O6 1675 15.999400 -0.847600 7.4285E+00 1.0883E+00 1.6527E+01 H1 1676 1.008000 0.423800 6.7845E+00 1.6715E+00 1.7022E+01 H2 1677 1.008000 0.423800 8.3628E+00 1.3960E+00 1.6707E+01 O6 1678 15.999400 -0.847600 1.2176E+01 1.2292E+01 -1.9104E+01 H1 1679 1.008000 0.423800 1.1293E+01 1.2657E+01 -1.9399E+01 H2 1680 1.008000 0.423800 1.2869E+01 1.2499E+01 1.9304E+01 O6 1681 15.999400 -0.847600 -4.9919E+00 -1.6925E+01 -1.9077E+00 H1 1682 1.008000 0.423800 -4.5622E+00 -1.7521E+01 -1.2289E+00 H2 1683 1.008000 0.423800 -4.9585E+00 -1.7365E+01 -2.8053E+00 O6 1684 15.999400 -0.847600 -1.8144E+01 -4.7787E+00 -8.3648E+00 H1 1685 1.008000 0.423800 -1.8334E+01 -5.6231E+00 -8.8655E+00 H2 1686 1.008000 0.423800 -1.8621E+01 -4.7974E+00 -7.4861E+00 O6 1687 15.999400 -0.847600 9.2210E+00 6.7597E+00 1.3829E+00 H1 1688 1.008000 0.423800 8.5801E+00 7.3962E+00 9.5377E-01 H2 1689 1.008000 0.423800 8.7542E+00 6.2562E+00 2.1099E+00 O6 1690 15.999400 -0.847600 -1.3812E+00 1.7649E+01 -1.2499E+01 H1 1691 1.008000 0.423800 -2.0330E+00 1.8163E+01 -1.3056E+01 H2 1692 1.008000 0.423800 -1.7342E+00 1.6727E+01 -1.2340E+01 O6 1693 15.999400 -0.847600 1.7293E+01 -1.5715E+01 -2.3670E-01 H1 1694 1.008000 0.423800 1.7787E+01 -1.4902E+01 7.0195E-02 H2 1695 1.008000 0.423800 1.6731E+01 -1.6067E+01 5.1238E-01 O6 1696 15.999400 -0.847600 1.9018E+01 1.2812E+01 -1.2709E+01 H1 1697 1.008000 0.423800 -1.9516E+01 1.3137E+01 -1.3469E+01 H2 1698 1.008000 0.423800 1.8559E+01 1.3589E+01 -1.2280E+01 O6 1699 15.999400 -0.847600 -1.1649E+01 1.9100E+01 -1.6439E+01 H1 1700 1.008000 0.423800 -1.2034E+01 1.8264E+01 -1.6830E+01 H2 1701 1.008000 0.423800 -1.2217E+01 -1.9216E+01 -1.6700E+01 O6 1702 15.999400 -0.847600 7.7395E+00 1.2134E+01 -1.6930E+01 H1 1703 1.008000 0.423800 7.5104E+00 1.1313E+01 -1.7453E+01 H2 1704 1.008000 0.423800 7.1362E+00 1.2883E+01 -1.7203E+01 O6 1705 15.999400 -0.847600 1.4781E+01 -4.0009E+00 1.9347E+01 H1 1706 1.008000 0.423800 1.4345E+01 -4.8902E+00 1.9488E+01 H2 1707 1.008000 0.423800 1.5240E+01 -3.9912E+00 1.8459E+01 O6 1708 15.999400 -0.847600 1.7032E+01 8.6811E+00 9.4221E+00 H1 1709 1.008000 0.423800 1.6679E+01 8.3249E+00 8.5569E+00 H2 1710 1.008000 0.423800 1.6909E+01 7.9954E+00 1.0140E+01 O6 1711 15.999400 -0.847600 1.9370E+01 1.4230E+01 9.8603E+00 H1 1712 1.008000 0.423800 1.9409E+01 1.3340E+01 1.0315E+01 H2 1713 1.008000 0.423800 1.8415E+01 1.4497E+01 9.7310E+00 O6 1714 15.999400 -0.847600 -1.8525E+01 -1.7104E+01 -9.7322E-01 H1 1715 1.008000 0.423800 -1.8440E+01 -1.6539E+01 -1.7934E+00 H2 1716 1.008000 0.423800 -1.8454E+01 -1.6526E+01 -1.6058E-01 O6 1717 15.999400 -0.847600 8.2228E+00 -5.7848E+00 1.9271E+01 H1 1718 1.008000 0.423800 8.2259E+00 -6.7783E+00 1.9385E+01 H2 1719 1.008000 0.423800 8.4577E+00 -5.3490E+00 -1.8958E+01 O6 1720 15.999400 -0.847600 -1.1542E+01 1.3756E+01 3.2645E+00 H1 1721 1.008000 0.423800 -1.2168E+01 1.4404E+01 2.8304E+00 H2 1722 1.008000 0.423800 -1.2068E+01 1.3015E+01 3.6823E+00 O6 1723 15.999400 -0.847600 1.0848E+01 1.1446E+01 1.2149E+01 H1 1724 1.008000 0.423800 1.1316E+01 1.2327E+01 1.2216E+01 H2 1725 1.008000 0.423800 1.1110E+01 1.0869E+01 1.2923E+01 O6 1726 15.999400 -0.847600 -6.2265E+00 -2.0314E+00 9.0622E+00 H1 1727 1.008000 0.423800 -6.3232E+00 -1.1899E+00 9.5939E+00 H2 1728 1.008000 0.423800 -5.2610E+00 -2.2876E+00 9.0165E+00 O6 1729 15.999400 -0.847600 1.2902E+01 1.8638E+01 1.3274E+01 H1 1730 1.008000 0.423800 1.3711E+01 1.9105E+01 1.2917E+01 H2 1731 1.008000 0.423800 1.2741E+01 1.8926E+01 1.4218E+01 O6 1732 15.999400 -0.847600 -7.5089E+00 2.0678E+00 1.3698E+01 H1 1733 1.008000 0.423800 -6.5723E+00 2.4084E+00 1.3781E+01 H2 1734 1.008000 0.423800 -7.7657E+00 1.5918E+00 1.4540E+01 O6 1735 15.999400 -0.847600 1.7644E+01 1.6462E+01 1.5309E+00 H1 1736 1.008000 0.423800 1.8151E+01 1.5625E+01 1.3257E+00 H2 1737 1.008000 0.423800 1.8256E+01 1.7249E+01 1.4515E+00 O6 1738 15.999400 -0.847600 -9.5215E+00 1.8453E+01 -1.4408E+01 H1 1739 1.008000 0.423800 -9.8252E+00 1.8012E+01 -1.3563E+01 H2 1740 1.008000 0.423800 -1.0317E+01 1.8682E+01 -1.4969E+01 O6 1741 15.999400 -0.847600 3.5945E+00 -9.1839E+00 -1.2183E+01 H1 1742 1.008000 0.423800 3.6308E+00 -9.4472E+00 -1.1219E+01 H2 1743 1.008000 0.423800 3.5564E+00 -8.1873E+00 -1.2255E+01 O6 1744 15.999400 -0.847600 1.8260E+01 -1.7427E+01 -1.6322E+01 H1 1745 1.008000 0.423800 1.8975E+01 -1.7656E+01 -1.5662E+01 H2 1746 1.008000 0.423800 1.8209E+01 -1.8141E+01 -1.7020E+01 O6 1747 15.999400 -0.847600 7.8268E+00 8.9066E+00 1.2391E+01 H1 1748 1.008000 0.423800 6.9814E+00 8.4286E+00 1.2152E+01 H2 1749 1.008000 0.423800 8.3403E+00 9.1110E+00 1.1557E+01 O6 1750 15.999400 -0.847600 1.8694E+00 4.9885E+00 1.0833E+01 H1 1751 1.008000 0.423800 2.0197E+00 5.7525E+00 1.0205E+01 H2 1752 1.008000 0.423800 2.7194E+00 4.7835E+00 1.1318E+01 O6 1753 15.999400 -0.847600 -1.9023E+01 -6.9283E+00 -1.7314E+01 H1 1754 1.008000 0.423800 -1.9333E+01 -7.8522E+00 -1.7089E+01 H2 1755 1.008000 0.423800 1.9304E+01 -6.3951E+00 -1.7664E+01 O6 1756 15.999400 -0.847600 -5.2825E+00 6.7806E+00 -1.4082E+01 H1 1757 1.008000 0.423800 -5.3652E+00 5.7892E+00 -1.4183E+01 H2 1758 1.008000 0.423800 -5.0839E+00 7.0026E+00 -1.3127E+01 O6 1759 15.999400 -0.847600 -8.5136E+00 -1.5924E+01 1.4492E+00 H1 1760 1.008000 0.423800 -9.2535E+00 -1.6573E+01 1.6263E+00 H2 1761 1.008000 0.423800 -7.6399E+00 -1.6410E+01 1.4358E+00 O6 1762 15.999400 -0.847600 1.5581E+01 2.0439E+00 1.3198E+01 H1 1763 1.008000 0.423800 1.6107E+01 1.2214E+00 1.2980E+01 H2 1764 1.008000 0.423800 1.5519E+01 2.1460E+00 1.4191E+01 O6 1765 15.999400 -0.847600 -5.1884E+00 8.3553E-01 1.7649E+01 H1 1766 1.008000 0.423800 -4.9362E+00 5.5309E-01 1.6724E+01 H2 1767 1.008000 0.423800 -5.7085E+00 1.6886E+00 1.7607E+01 O6 1768 15.999400 -0.847600 4.1782E+00 1.7364E+01 1.8264E+01 H1 1769 1.008000 0.423800 4.4617E+00 1.6417E+01 1.8416E+01 H2 1770 1.008000 0.423800 3.5644E+00 1.7650E+01 1.9000E+01 O6 1771 15.999400 -0.847600 4.1361E+00 -3.3143E+00 1.5567E+01 H1 1772 1.008000 0.423800 4.4804E+00 -3.2313E+00 1.6502E+01 H2 1773 1.008000 0.423800 4.0672E+00 -4.2813E+00 1.5322E+01 O6 1774 15.999400 -0.847600 -8.7298E+00 5.1706E+00 1.6137E+01 H1 1775 1.008000 0.423800 -9.1669E+00 4.8063E+00 1.5315E+01 H2 1776 1.008000 0.423800 -9.1853E+00 6.0183E+00 1.6409E+01 O6 1777 15.999400 -0.847600 -1.0921E+01 -3.5358E+00 -9.1278E+00 H1 1778 1.008000 0.423800 -1.1895E+01 -3.3670E+00 -9.2798E+00 H2 1779 1.008000 0.423800 -1.0801E+01 -4.4307E+00 -8.6981E+00 O6 1780 15.999400 -0.847600 1.6258E-01 6.7017E+00 -1.0586E+01 H1 1781 1.008000 0.423800 -6.8128E-01 6.4578E+00 -1.1064E+01 H2 1782 1.008000 0.423800 9.2661E-01 6.1870E+00 -1.0975E+01 O6 1783 15.999400 -0.847600 -2.4099E+00 1.9048E+01 1.6476E+01 H1 1784 1.008000 0.423800 -2.6035E+00 1.8208E+01 1.5968E+01 H2 1785 1.008000 0.423800 -2.5833E+00 1.8895E+01 1.7449E+01 O6 1786 15.999400 -0.847600 -1.3531E+01 7.8303E+00 -1.9753E+00 H1 1787 1.008000 0.423800 -1.3642E+01 8.8156E+00 -2.1046E+00 H2 1788 1.008000 0.423800 -1.4004E+01 7.5479E+00 -1.1408E+00 O6 1789 15.999400 -0.847600 8.2995E+00 -1.8245E+01 1.7295E+01 H1 1790 1.008000 0.423800 7.5346E+00 -1.7962E+01 1.7873E+01 H2 1791 1.008000 0.423800 8.9355E+00 -1.7481E+01 1.7186E+01 O6 1792 15.999400 -0.847600 -1.3403E+01 8.8214E+00 -1.1021E+01 H1 1793 1.008000 0.423800 -1.3156E+01 9.4057E+00 -1.0248E+01 H2 1794 1.008000 0.423800 -1.3344E+01 7.8619E+00 -1.0746E+01 O6 1795 15.999400 -0.847600 1.3984E+01 -1.8786E+00 -8.4490E+00 H1 1796 1.008000 0.423800 1.4907E+01 -1.5072E+00 -8.3481E+00 H2 1797 1.008000 0.423800 1.4039E+01 -2.8306E+00 -8.7501E+00 O6 1798 15.999400 -0.847600 -2.5581E-01 1.0464E+00 6.9263E+00 H1 1799 1.008000 0.423800 -2.1834E-01 7.2327E-02 7.1496E+00 H2 1800 1.008000 0.423800 -1.1409E+00 1.2596E+00 6.5126E+00 O6 1801 15.999400 -0.847600 -1.0162E-01 -1.7787E+01 -9.4912E+00 H1 1802 1.008000 0.423800 8.9228E-01 -1.7896E+01 -9.5070E+00 H2 1803 1.008000 0.423800 -4.9773E-01 -1.8434E+01 -8.8397E+00 O6 1804 15.999400 -0.847600 -3.1703E+00 1.9517E+01 -1.3932E+01 H1 1805 1.008000 0.423800 -2.5537E+00 -1.8795E+01 -1.3877E+01 H2 1806 1.008000 0.423800 -3.2809E+00 1.9247E+01 -1.4888E+01 O6 1807 15.999400 -0.847600 -2.6096E+00 -6.6286E+00 -1.9630E+00 H1 1808 1.008000 0.423800 -2.8562E+00 -7.4990E+00 -2.3893E+00 H2 1809 1.008000 0.423800 -2.2163E+00 -6.7996E+00 -1.0596E+00 O6 1810 15.999400 -0.847600 2.4380E+00 1.5395E+01 -3.3829E-02 H1 1811 1.008000 0.423800 2.0608E+00 1.6242E+01 -4.0819E-01 H2 1812 1.008000 0.423800 3.3290E+00 1.5214E+01 -4.5032E-01 O6 1813 15.999400 -0.847600 -1.3225E+01 -6.4353E+00 5.2714E+00 H1 1814 1.008000 0.423800 -1.2570E+01 -5.7536E+00 5.5971E+00 H2 1815 1.008000 0.423800 -1.2744E+01 -7.1348E+00 4.7434E+00 O6 1816 15.999400 -0.847600 -1.5672E+00 4.2030E+00 1.9678E+00 H1 1817 1.008000 0.423800 -2.0014E+00 3.8254E+00 1.1499E+00 H2 1818 1.008000 0.423800 -9.5545E-01 4.9494E+00 1.7058E+00 O6 1819 15.999400 -0.847600 1.0141E+01 4.1649E+00 1.7800E+01 H1 1820 1.008000 0.423800 1.0599E+01 5.0527E+00 1.7754E+01 H2 1821 1.008000 0.423800 9.5598E+00 4.1312E+00 1.8613E+01 O6 1822 15.999400 -0.847600 1.6439E+01 -9.3283E-01 -8.4777E+00 H1 1823 1.008000 0.423800 1.7032E+01 -1.7361E+00 -8.5321E+00 H2 1824 1.008000 0.423800 1.6746E+01 -2.4629E-01 -9.1366E+00 O6 1825 15.999400 -0.847600 8.9369E+00 4.4363E+00 7.0030E+00 H1 1826 1.008000 0.423800 9.6220E+00 4.4872E+00 7.7297E+00 H2 1827 1.008000 0.423800 8.1074E+00 4.9136E+00 7.2929E+00 O6 1828 15.999400 -0.847600 -1.6578E+00 -4.7749E+00 2.3617E-01 H1 1829 1.008000 0.423800 -2.3017E+00 -4.5043E+00 -4.7944E-01 H2 1830 1.008000 0.423800 -8.5348E-01 -4.1816E+00 2.0244E-01 O6 1831 15.999400 -0.847600 -1.7914E+01 8.8733E+00 -1.8199E+01 H1 1832 1.008000 0.423800 -1.7109E+01 8.4897E+00 -1.8652E+01 H2 1833 1.008000 0.423800 -1.7822E+01 8.7649E+00 -1.7209E+01 O6 1834 15.999400 -0.847600 4.1601E+00 1.7242E+01 1.0871E+01 H1 1835 1.008000 0.423800 4.7658E+00 1.7933E+01 1.1267E+01 H2 1836 1.008000 0.423800 3.3436E+00 1.7687E+01 1.0503E+01 O6 1837 15.999400 -0.847600 -1.2983E+01 1.9400E+01 -1.2293E+01 H1 1838 1.008000 0.423800 -1.2975E+01 -1.8793E+01 -1.2719E+01 H2 1839 1.008000 0.423800 -1.3110E+01 1.9498E+01 -1.1306E+01 O6 1840 15.999400 -0.847600 -6.8985E-01 6.2913E+00 -7.8570E+00 H1 1841 1.008000 0.423800 -1.5347E+00 5.7890E+00 -8.0413E+00 H2 1842 1.008000 0.423800 -3.9963E-01 6.7705E+00 -8.6854E+00 O6 1843 15.999400 -0.847600 9.7738E+00 9.7035E+00 2.5225E+00 H1 1844 1.008000 0.423800 1.0743E+01 9.6444E+00 2.2831E+00 H2 1845 1.008000 0.423800 9.2192E+00 9.4259E+00 1.7381E+00 O6 1846 15.999400 -0.847600 1.9188E+01 7.8769E+00 1.9234E+01 H1 1847 1.008000 0.423800 -1.9286E+01 8.0395E+00 -1.9099E+01 H2 1848 1.008000 0.423800 1.8258E+01 7.7615E+00 -1.9516E+01 O6 1849 15.999400 -0.847600 -1.6007E+01 2.8207E+00 -8.9860E+00 H1 1850 1.008000 0.423800 -1.6997E+01 2.8252E+00 -9.1243E+00 H2 1851 1.008000 0.423800 -1.5625E+01 1.9675E+00 -9.3410E+00 O6 1852 15.999400 -0.847600 1.9150E+01 4.6799E+00 7.6597E-01 H1 1853 1.008000 0.423800 1.9443E+01 4.9965E+00 -1.3628E-01 H2 1854 1.008000 0.423800 1.9209E+01 5.4347E+00 1.4193E+00 O6 1855 15.999400 -0.847600 -1.8674E+01 -1.4493E+01 -6.5772E+00 H1 1856 1.008000 0.423800 -1.9542E+01 -1.4642E+01 -7.0518E+00 H2 1857 1.008000 0.423800 -1.8376E+01 -1.5347E+01 -6.1517E+00 O6 1858 15.999400 -0.847600 4.6497E+00 -8.6070E+00 1.1491E+01 H1 1859 1.008000 0.423800 5.4527E+00 -8.3571E+00 1.2032E+01 H2 1860 1.008000 0.423800 3.8599E+00 -8.7111E+00 1.2096E+01 O6 1861 15.999400 -0.847600 1.5249E+01 -1.7069E+01 1.0561E+01 H1 1862 1.008000 0.423800 1.5394E+01 -1.8004E+01 1.0886E+01 H2 1863 1.008000 0.423800 1.4395E+01 -1.7025E+01 1.0044E+01 O6 1864 15.999400 -0.847600 -1.3228E+01 1.1973E+01 4.1611E+00 H1 1865 1.008000 0.423800 -1.3174E+01 1.2004E+01 5.1593E+00 H2 1866 1.008000 0.423800 -1.3173E+01 1.1023E+01 3.8535E+00 O6 1867 15.999400 -0.847600 -4.7799E+00 2.2766E+00 1.1073E+01 H1 1868 1.008000 0.423800 -4.5710E+00 2.1144E+00 1.0108E+01 H2 1869 1.008000 0.423800 -4.1087E+00 2.9103E+00 1.1457E+01 O6 1870 15.999400 -0.847600 -1.6264E+00 -2.4708E+00 3.9816E+00 H1 1871 1.008000 0.423800 -1.4571E+00 -3.2317E+00 3.3551E+00 H2 1872 1.008000 0.423800 -1.3436E+00 -2.7303E+00 4.9050E+00 O6 1873 15.999400 -0.847600 -6.4354E+00 1.9341E+01 6.5929E-01 H1 1874 1.008000 0.423800 -7.3316E+00 1.8970E+01 9.0285E-01 H2 1875 1.008000 0.423800 -6.4061E+00 1.9523E+01 -3.2351E-01 O6 1876 15.999400 -0.847600 -9.9614E-01 1.9049E+01 8.6282E+00 H1 1877 1.008000 0.423800 -2.7138E-01 1.9497E+01 9.1517E+00 H2 1878 1.008000 0.423800 -1.6247E+00 1.8589E+01 9.2554E+00 O6 1879 15.999400 -0.847600 -6.8153E+00 2.7551E+00 5.0301E+00 H1 1880 1.008000 0.423800 -7.0083E+00 2.8737E+00 4.0561E+00 H2 1881 1.008000 0.423800 -5.8787E+00 3.0479E+00 5.2223E+00 O6 1882 15.999400 -0.847600 1.0146E+01 -7.7115E+00 -8.0154E+00 H1 1883 1.008000 0.423800 1.0150E+01 -8.3253E+00 -8.8049E+00 H2 1884 1.008000 0.423800 1.0338E+01 -8.2350E+00 -7.1854E+00 O6 1885 15.999400 -0.847600 -1.4669E+01 3.3025E+00 4.1965E+00 H1 1886 1.008000 0.423800 -1.3734E+01 3.6561E+00 4.1598E+00 H2 1887 1.008000 0.423800 -1.5095E+01 3.3926E+00 3.2963E+00 O6 1888 15.999400 -0.847600 -1.1209E+01 -1.5750E+01 -9.2293E+00 H1 1889 1.008000 0.423800 -1.0430E+01 -1.6164E+01 -8.7594E+00 H2 1890 1.008000 0.423800 -1.0896E+01 -1.4968E+01 -9.7687E+00 O6 1891 15.999400 -0.847600 -1.8040E+01 -5.8972E+00 5.9076E+00 H1 1892 1.008000 0.423800 -1.8113E+01 -5.7738E+00 4.9179E+00 H2 1893 1.008000 0.423800 -1.7231E+01 -6.4465E+00 6.1160E+00 O6 1894 15.999400 -0.847600 1.4314E+00 5.4184E+00 1.9988E+00 H1 1895 1.008000 0.423800 1.2365E+00 5.1299E+00 2.9362E+00 H2 1896 1.008000 0.423800 7.2753E-01 6.0603E+00 1.6944E+00 O6 1897 15.999400 -0.847600 1.8349E+01 -1.6998E+00 1.2188E+00 H1 1898 1.008000 0.423800 1.8462E+01 -1.5476E+00 2.3684E-01 H2 1899 1.008000 0.423800 1.8910E+01 -1.0439E+00 1.7241E+00 O6 1900 15.999400 -0.847600 -1.3453E+01 -3.3491E+00 -9.6403E+00 H1 1901 1.008000 0.423800 -1.4063E+01 -4.0936E+00 -9.3674E+00 H2 1902 1.008000 0.423800 -1.3857E+01 -2.8524E+00 -1.0408E+01 O6 1903 15.999400 -0.847600 -9.2403E+00 -1.7947E+01 -1.3278E+01 H1 1904 1.008000 0.423800 -9.7681E+00 -1.8487E+01 -1.3934E+01 H2 1905 1.008000 0.423800 -8.2911E+00 -1.7884E+01 -1.3586E+01 O6 1906 15.999400 -0.847600 7.3186E+00 9.2783E+00 -1.1793E+01 H1 1907 1.008000 0.423800 6.9410E+00 9.7130E+00 -1.0975E+01 H2 1908 1.008000 0.423800 7.6211E+00 9.9826E+00 -1.2435E+01 O6 1909 15.999400 -0.847600 1.0235E+00 -4.6060E+00 1.3489E+01 H1 1910 1.008000 0.423800 1.2587E+00 -5.5494E+00 1.3255E+01 H2 1911 1.008000 0.423800 1.3097E+00 -3.9979E+00 1.2749E+01 O6 1912 15.999400 -0.847600 -8.4801E+00 1.2992E+01 6.4371E-01 H1 1913 1.008000 0.423800 -8.4369E+00 1.2560E+01 -2.5702E-01 H2 1914 1.008000 0.423800 -9.3986E+00 1.2881E+01 1.0230E+00 O6 1915 15.999400 -0.847600 1.1864E+01 -8.5024E+00 2.4315E-01 H1 1916 1.008000 0.423800 1.1468E+01 -9.3212E+00 -1.7233E-01 H2 1917 1.008000 0.423800 1.1221E+01 -7.7414E+00 1.5890E-01 O6 1918 15.999400 -0.847600 -1.3875E+01 7.6583E+00 6.6014E-01 H1 1919 1.008000 0.423800 -1.4756E+01 7.7585E+00 1.1226E+00 H2 1920 1.008000 0.423800 -1.3161E+01 7.4789E+00 1.3375E+00 O6 1921 15.999400 -0.847600 -2.6158E+00 -2.7983E+00 -1.6944E+01 H1 1922 1.008000 0.423800 -1.9750E+00 -2.0395E+00 -1.6827E+01 H2 1923 1.008000 0.423800 -2.2483E+00 -3.4449E+00 -1.7612E+01 O6 1924 15.999400 -0.847600 8.8875E+00 1.0456E+01 -8.8419E+00 H1 1925 1.008000 0.423800 9.2264E+00 9.6568E+00 -8.3461E+00 H2 1926 1.008000 0.423800 7.9307E+00 1.0311E+01 -9.0938E+00 O6 1927 15.999400 -0.847600 1.1546E+01 1.6250E+01 1.3615E+01 H1 1928 1.008000 0.423800 1.2157E+01 1.5477E+01 1.3783E+01 H2 1929 1.008000 0.423800 1.2088E+01 1.7059E+01 1.3386E+01 O6 1930 15.999400 -0.847600 1.6012E+01 -1.6035E+01 -8.2603E+00 H1 1931 1.008000 0.423800 1.5558E+01 -1.6761E+01 -8.7768E+00 H2 1932 1.008000 0.423800 1.5345E+01 -1.5577E+01 -7.6724E+00 O6 1933 15.999400 -0.847600 -4.9853E+00 2.6496E+00 1.4848E+01 H1 1934 1.008000 0.423800 -5.3533E+00 3.5744E+00 1.4945E+01 H2 1935 1.008000 0.423800 -4.1408E+00 2.6814E+00 1.4313E+01 O6 1936 15.999400 -0.847600 1.5086E+01 -4.1800E-01 1.7731E+01 H1 1937 1.008000 0.423800 1.4503E+01 9.8943E-02 1.7105E+01 H2 1938 1.008000 0.423800 1.6003E+01 -5.0178E-01 1.7340E+01 O6 1939 15.999400 -0.847600 7.0357E+00 -1.2675E+01 -5.8952E+00 H1 1940 1.008000 0.423800 6.3428E+00 -1.1959E+01 -5.8080E+00 H2 1941 1.008000 0.423800 6.5999E+00 -1.3572E+01 -5.8181E+00 O6 1942 15.999400 -0.847600 7.9800E-01 -1.1287E+01 -1.4922E+01 H1 1943 1.008000 0.423800 1.2637E+00 -1.1088E+01 -1.5784E+01 H2 1944 1.008000 0.423800 8.8012E-01 -1.2262E+01 -1.4716E+01 O6 1945 15.999400 -0.847600 9.9835E+00 9.3938E+00 1.0380E+01 H1 1946 1.008000 0.423800 1.0140E+01 1.0228E+01 1.0908E+01 H2 1947 1.008000 0.423800 1.0427E+01 9.4758E+00 9.4874E+00 O6 1948 15.999400 -0.847600 -4.0103E-01 1.4914E+01 1.7114E+00 H1 1949 1.008000 0.423800 2.1207E-01 1.5695E+01 1.5929E+00 H2 1950 1.008000 0.423800 -8.5941E-01 1.4981E+01 2.5975E+00 O6 1951 15.999400 -0.847600 1.3469E+01 -1.0445E+01 1.6576E+01 H1 1952 1.008000 0.423800 1.2798E+01 -1.0841E+01 1.5950E+01 H2 1953 1.008000 0.423800 1.3186E+01 -1.0616E+01 1.7520E+01 O6 1954 15.999400 -0.847600 -1.8155E+01 4.2236E-01 -6.8640E-01 H1 1955 1.008000 0.423800 -1.8049E+01 1.0433E+00 -1.4630E+00 H2 1956 1.008000 0.423800 -1.8235E+01 9.5398E-01 1.5677E-01 O6 1957 15.999400 -0.847600 -1.0830E+01 -2.8335E+00 6.2222E+00 H1 1958 1.008000 0.423800 -1.1585E+01 -2.4566E+00 6.7588E+00 H2 1959 1.008000 0.423800 -1.0165E+01 -2.1119E+00 6.0301E+00 O6 1960 15.999400 -0.847600 -1.4544E+01 1.2347E+01 -1.8780E+01 H1 1961 1.008000 0.423800 -1.4699E+01 1.1703E+01 -1.9530E+01 H2 1962 1.008000 0.423800 -1.4194E+01 1.3208E+01 -1.9149E+01 O6 1963 15.999400 -0.847600 1.3099E+01 1.0225E+01 -1.5583E+01 H1 1964 1.008000 0.423800 1.2843E+01 1.0075E+01 -1.4628E+01 H2 1965 1.008000 0.423800 1.3755E+01 9.5252E+00 -1.5866E+01 O6 1966 15.999400 -0.847600 8.7791E+00 -1.2301E+01 -3.7226E+00 H1 1967 1.008000 0.423800 8.3200E+00 -1.2587E+01 -4.5635E+00 H2 1968 1.008000 0.423800 8.7823E+00 -1.1302E+01 -3.6687E+00 O6 1969 15.999400 -0.847600 -1.6977E+01 7.1602E+00 -8.4672E+00 H1 1970 1.008000 0.423800 -1.7021E+01 7.7336E+00 -7.6490E+00 H2 1971 1.008000 0.423800 -1.7039E+01 7.7368E+00 -9.2819E+00 O6 1972 15.999400 -0.847600 -1.0802E+01 2.2092E+00 -1.9315E+01 H1 1973 1.008000 0.423800 -1.1797E+01 2.1412E+00 -1.9246E+01 H2 1974 1.008000 0.423800 -1.0391E+01 1.9964E+00 -1.8429E+01 O6 1975 15.999400 -0.847600 -4.5259E+00 -2.6381E+00 -4.2145E+00 H1 1976 1.008000 0.423800 -5.4812E+00 -2.5028E+00 -3.9517E+00 H2 1977 1.008000 0.423800 -4.0880E+00 -3.2637E+00 -3.5689E+00 O6 1978 15.999400 -0.847600 1.6239E+01 4.6484E+00 -1.5762E+01 H1 1979 1.008000 0.423800 1.5496E+01 4.0219E+00 -1.5995E+01 H2 1980 1.008000 0.423800 1.6460E+01 5.2145E+00 -1.6556E+01 O6 1981 15.999400 -0.847600 -9.3261E+00 1.3984E+01 4.8629E+00 H1 1982 1.008000 0.423800 -8.7651E+00 1.4784E+01 4.6502E+00 H2 1983 1.008000 0.423800 -1.0070E+01 1.3913E+01 4.1990E+00 O6 1984 15.999400 -0.847600 2.5821E+00 1.2796E+01 1.8265E+01 H1 1985 1.008000 0.423800 1.7212E+00 1.3195E+01 1.7950E+01 H2 1986 1.008000 0.423800 2.6047E+00 1.1824E+01 1.8030E+01 O6 1987 15.999400 -0.847600 -1.7715E+01 6.5314E-02 6.3801E+00 H1 1988 1.008000 0.423800 -1.7686E+01 -4.4975E-01 5.5234E+00 H2 1989 1.008000 0.423800 -1.7597E+01 1.0395E+00 6.1873E+00 O6 1990 15.999400 -0.847600 9.1810E+00 1.4768E+01 1.4168E+01 H1 1991 1.008000 0.423800 9.9008E+00 1.5455E+01 1.4271E+01 H2 1992 1.008000 0.423800 8.8965E+00 1.4724E+01 1.3211E+01 O6 1993 15.999400 -0.847600 -1.7597E+01 -2.1618E+00 1.6060E+00 H1 1994 1.008000 0.423800 -1.7337E+01 -1.2450E+00 1.3033E+00 H2 1995 1.008000 0.423800 -1.7935E+01 -2.6871E+00 8.2497E-01 O6 1996 15.999400 -0.847600 -9.7146E+00 -5.3952E+00 -1.2674E+01 H1 1997 1.008000 0.423800 -9.9865E+00 -4.6189E+00 -1.2105E+01 H2 1998 1.008000 0.423800 -9.6357E+00 -5.0994E+00 -1.3626E+01 O6 1999 15.999400 -0.847600 -3.0613E+00 1.0777E+01 -1.4105E+01 H1 2000 1.008000 0.423800 -3.9484E+00 1.0497E+01 -1.4471E+01 H2 2001 1.008000 0.423800 -2.5062E+00 9.9667E+00 -1.3918E+01 O6 2002 15.999400 -0.847600 -1.3679E+01 1.7746E+01 1.4103E+00 H1 2003 1.008000 0.423800 -1.4605E+01 1.7891E+01 1.0626E+00 H2 2004 1.008000 0.423800 -1.3443E+01 1.8482E+01 2.0459E+00 O6 2005 15.999400 -0.847600 1.4922E+00 1.7655E+00 4.7228E+00 H1 2006 1.008000 0.423800 2.3571E+00 1.3686E+00 4.4155E+00 H2 2007 1.008000 0.423800 1.2420E+00 1.3743E+00 5.6084E+00 O6 2008 15.999400 -0.847600 1.3349E+01 -1.9728E+00 -1.3369E+01 H1 2009 1.008000 0.423800 1.2725E+01 -2.7513E+00 -1.3298E+01 H2 2010 1.008000 0.423800 1.4214E+01 -2.2745E+00 -1.3770E+01 O6 2011 15.999400 -0.847600 1.6958E+01 -3.5702E+00 1.1384E+01 H1 2012 1.008000 0.423800 1.6565E+01 -4.3211E+00 1.1915E+01 H2 2013 1.008000 0.423800 1.7100E+01 -3.8682E+00 1.0440E+01 O6 2014 15.999400 -0.847600 1.5006E+01 -1.3693E+01 1.3723E+01 H1 2015 1.008000 0.423800 1.5287E+01 -1.3778E+01 1.4679E+01 H2 2016 1.008000 0.423800 1.4849E+01 -1.2730E+01 1.3506E+01 O6 2017 15.999400 -0.847600 1.8764E+01 -1.1101E+01 1.5169E+01 H1 2018 1.008000 0.423800 1.9401E+01 -1.1016E+01 1.5935E+01 H2 2019 1.008000 0.423800 1.7863E+01 -1.1368E+01 1.5512E+01 O6 2020 15.999400 -0.847600 -1.0637E+01 2.6166E+00 2.9427E+00 H1 2021 1.008000 0.423800 -1.0521E+01 1.9701E+00 2.1885E+00 H2 2022 1.008000 0.423800 -1.0991E+01 2.1342E+00 3.7438E+00 O6 2023 15.999400 -0.847600 1.1090E+01 1.4691E+01 -8.2442E+00 H1 2024 1.008000 0.423800 1.0469E+01 1.4214E+01 -8.8665E+00 H2 2025 1.008000 0.423800 1.1244E+01 1.5622E+01 -8.5756E+00 O6 2026 15.999400 -0.847600 4.4646E+00 -7.3345E+00 2.3847E-01 H1 2027 1.008000 0.423800 5.1358E+00 -7.6948E+00 -4.0937E-01 H2 2028 1.008000 0.423800 4.9162E+00 -7.1298E+00 1.1069E+00 O6 2029 15.999400 -0.847600 -9.7104E+00 9.0315E-01 1.0320E+00 H1 2030 1.008000 0.423800 -8.8350E+00 5.3739E-01 7.1595E-01 H2 2031 1.008000 0.423800 -1.0111E+01 1.4744E+00 3.1568E-01 O6 2032 15.999400 -0.847600 1.4410E+01 1.1179E+01 1.0466E+01 H1 2033 1.008000 0.423800 1.5291E+01 1.1339E+01 1.0021E+01 H2 2034 1.008000 0.423800 1.4462E+01 1.0350E+01 1.1022E+01 O6 2035 15.999400 -0.847600 3.2513E+00 6.1246E+00 1.4832E+01 H1 2036 1.008000 0.423800 4.2060E+00 6.1597E+00 1.5127E+01 H2 2037 1.008000 0.423800 2.7179E+00 5.5941E+00 1.5491E+01 O6 2038 15.999400 -0.847600 -9.9828E+00 -1.3629E+01 -5.2407E+00 H1 2039 1.008000 0.423800 -1.0229E+01 -1.3378E+01 -6.1769E+00 H2 2040 1.008000 0.423800 -9.6876E+00 -1.2813E+01 -4.7438E+00 O6 2041 15.999400 -0.847600 2.0575E+00 1.7818E+01 8.9296E+00 H1 2042 1.008000 0.423800 1.2210E+00 1.7423E+01 8.5494E+00 H2 2043 1.008000 0.423800 1.8223E+00 1.8582E+01 9.5302E+00 O6 2044 15.999400 -0.847600 -1.4905E+01 4.1641E+00 -2.2450E+00 H1 2045 1.008000 0.423800 -1.4273E+01 4.4747E+00 -1.5350E+00 H2 2046 1.008000 0.423800 -1.4731E+01 4.6698E+00 -3.0901E+00 O6 2047 15.999400 -0.847600 1.6150E+01 8.7936E+00 -1.3452E+01 H1 2048 1.008000 0.423800 1.6495E+01 7.8757E+00 -1.3257E+01 H2 2049 1.008000 0.423800 1.6296E+01 9.3811E+00 -1.2656E+01 O6 2050 15.999400 -0.847600 -1.4027E+01 1.3797E+00 -3.0746E+00 H1 2051 1.008000 0.423800 -1.4432E+01 2.2939E+00 -3.0655E+00 H2 2052 1.008000 0.423800 -1.4667E+01 7.3548E-01 -3.4926E+00 O6 2053 15.999400 -0.847600 -4.7228E+00 -1.6224E+01 -8.9347E+00 H1 2054 1.008000 0.423800 -4.3579E+00 -1.6909E+01 -8.3043E+00 H2 2055 1.008000 0.423800 -4.4119E+00 -1.6426E+01 -9.8633E+00 O6 2056 15.999400 -0.847600 8.2431E+00 -1.2966E+01 -9.6647E+00 H1 2057 1.008000 0.423800 9.0227E+00 -1.3398E+01 -9.2120E+00 H2 2058 1.008000 0.423800 8.0759E+00 -1.2069E+01 -9.2556E+00 O6 2059 15.999400 -0.847600 1.9134E+01 -6.8332E+00 -1.4452E+01 H1 2060 1.008000 0.423800 1.9434E+01 -6.2923E+00 -1.5238E+01 H2 2061 1.008000 0.423800 1.9514E+01 -6.4421E+00 -1.3614E+01 O6 2062 15.999400 -0.847600 1.6419E+01 -5.0451E+00 8.0204E+00 H1 2063 1.008000 0.423800 1.7196E+01 -4.8727E+00 7.4152E+00 H2 2064 1.008000 0.423800 1.6546E+01 -5.9213E+00 8.4853E+00 O6 2065 15.999400 -0.847600 -3.8499E+00 1.1432E+01 -1.8617E+01 H1 2066 1.008000 0.423800 -3.8341E+00 1.1931E+01 -1.7750E+01 H2 2067 1.008000 0.423800 -4.2365E+00 1.0521E+01 -1.8470E+01 O6 2068 15.999400 -0.847600 1.0063E+01 1.6899E+00 1.6784E+01 H1 2069 1.008000 0.423800 1.0711E+01 1.5241E+00 1.6041E+01 H2 2070 1.008000 0.423800 1.0189E+01 2.6176E+00 1.7135E+01 O6 2071 15.999400 -0.847600 -5.3551E+00 -1.7097E+00 2.2845E+00 H1 2072 1.008000 0.423800 -4.8183E+00 -8.7430E-01 2.4030E+00 H2 2073 1.008000 0.423800 -4.7686E+00 -2.4340E+00 1.9220E+00 O6 2074 15.999400 -0.847600 -1.0280E+01 6.9479E+00 -1.7015E+01 H1 2075 1.008000 0.423800 -1.0036E+01 6.0490E+00 -1.7379E+01 H2 2076 1.008000 0.423800 -9.6776E+00 7.6418E+00 -1.7409E+01 O6 2077 15.999400 -0.847600 4.1312E+00 9.4141E+00 9.6772E+00 H1 2078 1.008000 0.423800 3.8732E+00 9.5286E+00 1.0637E+01 H2 2079 1.008000 0.423800 3.7972E+00 8.5319E+00 9.3452E+00 O6 2080 15.999400 -0.847600 -2.4901E+00 8.5057E+00 -1.0340E+01 H1 2081 1.008000 0.423800 -2.6061E+00 9.4889E+00 -1.0481E+01 H2 2082 1.008000 0.423800 -2.3310E+00 8.3249E+00 -9.3694E+00 O6 2083 15.999400 -0.847600 -5.0579E+00 -1.4487E-01 1.5106E+01 H1 2084 1.008000 0.423800 -5.4771E+00 -5.7101E-01 1.4304E+01 H2 2085 1.008000 0.423800 -5.0780E+00 8.4965E-01 1.5004E+01 O6 2086 15.999400 -0.847600 -7.2141E+00 3.1774E+00 1.1267E+01 H1 2087 1.008000 0.423800 -7.6951E+00 2.8184E+00 1.2067E+01 H2 2088 1.008000 0.423800 -6.2470E+00 2.9290E+00 1.1320E+01 O6 2089 15.999400 -0.847600 -1.9183E+00 1.1021E+01 5.4638E+00 H1 2090 1.008000 0.423800 -2.5803E+00 1.1077E+01 4.7164E+00 H2 2091 1.008000 0.423800 -1.5060E+00 1.1920E+01 5.6111E+00 O6 2092 15.999400 -0.847600 -9.0257E+00 -6.2617E+00 -5.0359E+00 H1 2093 1.008000 0.423800 -8.4483E+00 -5.7703E+00 -5.6880E+00 H2 2094 1.008000 0.423800 -9.1026E+00 -5.7302E+00 -4.1924E+00 O6 2095 15.999400 -0.847600 1.2170E+01 4.0260E+00 3.4332E+00 H1 2096 1.008000 0.423800 1.3108E+01 3.6926E+00 3.3404E+00 H2 2097 1.008000 0.423800 1.2059E+01 4.8638E+00 2.8986E+00 O6 2098 15.999400 -0.847600 -1.5676E+01 1.0811E+01 1.3194E+01 H1 2099 1.008000 0.423800 -1.6364E+01 1.1480E+01 1.2915E+01 H2 2100 1.008000 0.423800 -1.6019E+01 9.8879E+00 1.3020E+01 O6 2101 15.999400 -0.847600 -8.9341E+00 -1.5420E+01 -1.5873E+00 H1 2102 1.008000 0.423800 -9.0804E+00 -1.5490E+01 -6.0054E-01 H2 2103 1.008000 0.423800 -9.7045E+00 -1.4938E+01 -2.0049E+00 O6 2104 15.999400 -0.847600 5.0508E+00 -1.1156E+01 -1.0154E+01 H1 2105 1.008000 0.423800 5.9500E+00 -1.0923E+01 -9.7836E+00 H2 2106 1.008000 0.423800 4.8432E+00 -1.2112E+01 -9.9487E+00 O6 2107 15.999400 -0.847600 1.0515E+01 6.8607E+00 -9.8466E+00 H1 2108 1.008000 0.423800 1.1490E+01 6.6914E+00 -9.7038E+00 H2 2109 1.008000 0.423800 1.0135E+01 7.3191E+00 -9.0431E+00 O6 2110 15.999400 -0.847600 -1.5190E+01 -4.2723E+00 -1.3124E+01 H1 2111 1.008000 0.423800 -1.4234E+01 -4.3084E+00 -1.3413E+01 H2 2112 1.008000 0.423800 -1.5424E+01 -5.1145E+00 -1.2638E+01 O6 2113 15.999400 -0.847600 1.7662E+01 8.3719E+00 -1.0098E+01 H1 2114 1.008000 0.423800 1.7580E+01 9.2987E+00 -1.0464E+01 H2 2115 1.008000 0.423800 1.6979E+01 7.7817E+00 -1.0528E+01 O6 2116 15.999400 -0.847600 -1.0274E+01 1.1609E+01 -1.1136E+01 H1 2117 1.008000 0.423800 -1.0340E+01 1.2320E+01 -1.0435E+01 H2 2118 1.008000 0.423800 -1.0898E+01 1.1824E+01 -1.1888E+01 O6 2119 15.999400 -0.847600 7.5880E+00 -1.7970E+01 -1.1113E+00 H1 2120 1.008000 0.423800 7.9420E+00 -1.8339E+01 -2.5168E-01 H2 2121 1.008000 0.423800 8.1342E+00 -1.7178E+01 -1.3845E+00 O6 2122 15.999400 -0.847600 -5.3502E+00 1.3257E+01 1.5577E+01 H1 2123 1.008000 0.423800 -4.7493E+00 1.2584E+01 1.5145E+01 H2 2124 1.008000 0.423800 -5.3582E+00 1.3111E+01 1.6566E+01 O6 2125 15.999400 -0.847600 7.3506E+00 1.7788E+01 -2.5680E+00 H1 2126 1.008000 0.423800 7.3139E+00 1.8723E+01 -2.2138E+00 H2 2127 1.008000 0.423800 8.0295E+00 1.7736E+01 -3.3003E+00 O6 2128 15.999400 -0.847600 -1.7481E+01 9.5149E-01 1.2475E+01 H1 2129 1.008000 0.423800 -1.7515E+01 7.2890E-01 1.3450E+01 H2 2130 1.008000 0.423800 -1.8300E+01 5.9602E-01 1.2024E+01 O6 2131 15.999400 -0.847600 1.7002E+01 -5.1715E+00 -8.3580E+00 H1 2132 1.008000 0.423800 1.7256E+01 -4.7693E+00 -9.2377E+00 H2 2133 1.008000 0.423800 1.7721E+01 -4.9880E+00 -7.6876E+00 O6 2134 15.999400 -0.847600 -1.4815E+01 1.0477E+01 -6.7507E+00 H1 2135 1.008000 0.423800 -1.4126E+01 1.0233E+01 -6.0682E+00 H2 2136 1.008000 0.423800 -1.5623E+01 9.9001E+00 -6.6293E+00 O6 2137 15.999400 -0.847600 -5.7377E+00 6.6859E+00 3.0514E+00 H1 2138 1.008000 0.423800 -6.6858E+00 6.4462E+00 2.8423E+00 H2 2139 1.008000 0.423800 -5.6971E+00 7.1390E+00 3.9419E+00 O6 2140 15.999400 -0.847600 1.7002E+00 -1.0208E+01 9.2706E+00 H1 2141 1.008000 0.423800 1.5841E+00 -1.0736E+01 8.4299E+00 H2 2142 1.008000 0.423800 1.1852E+00 -1.0640E+01 1.0010E+01 O6 2143 15.999400 -0.847600 -1.6311E+01 1.6119E+01 1.6225E+01 H1 2144 1.008000 0.423800 -1.6570E+01 1.5258E+01 1.6664E+01 H2 2145 1.008000 0.423800 -1.5995E+01 1.5937E+01 1.5294E+01 O6 2146 15.999400 -0.847600 -8.0040E+00 -1.8139E+01 7.6684E+00 H1 2147 1.008000 0.423800 -8.0325E+00 -1.8974E+01 7.1186E+00 H2 2148 1.008000 0.423800 -7.7540E+00 -1.8368E+01 8.6092E+00 O6 2149 15.999400 -0.847600 -5.7663E+00 -1.0267E+01 -1.0313E+01 H1 2150 1.008000 0.423800 -5.3178E+00 -9.3899E+00 -1.0487E+01 H2 2151 1.008000 0.423800 -5.4171E+00 -1.0656E+01 -9.4606E+00 O6 2152 15.999400 -0.847600 -7.8287E-01 5.3605E+00 6.3131E+00 H1 2153 1.008000 0.423800 -1.5376E+00 5.9231E+00 6.6506E+00 H2 2154 1.008000 0.423800 -5.4313E-01 4.6765E+00 7.0020E+00 O6 2155 15.999400 -0.847600 -1.0716E+01 -6.1412E+00 1.5307E+01 H1 2156 1.008000 0.423800 -1.1155E+01 -5.4878E+00 1.5923E+01 H2 2157 1.008000 0.423800 -1.0788E+01 -5.8119E+00 1.4366E+01 O6 2158 15.999400 -0.847600 -7.7104E+00 1.7881E+01 -1.6413E+01 H1 2159 1.008000 0.423800 -8.1309E+00 1.8145E+01 -1.7280E+01 H2 2160 1.008000 0.423800 -8.4225E+00 1.7754E+01 -1.5722E+01 O6 2161 15.999400 -0.847600 1.8922E+00 -2.8568E+00 -1.2475E+01 H1 2162 1.008000 0.423800 1.1053E+00 -3.1228E+00 -1.1918E+01 H2 2163 1.008000 0.423800 2.7013E+00 -3.3590E+00 -1.2170E+01 O6 2164 15.999400 -0.847600 -8.9656E+00 4.9029E+00 -9.5203E+00 H1 2165 1.008000 0.423800 -8.1539E+00 4.3619E+00 -9.3002E+00 H2 2166 1.008000 0.423800 -8.8624E+00 5.3034E+00 -1.0431E+01 O6 2167 15.999400 -0.847600 1.8747E+01 -4.0965E+00 -1.2451E+01 H1 2168 1.008000 0.423800 1.9422E+01 -3.7777E+00 -1.1786E+01 H2 2169 1.008000 0.423800 1.9016E+01 -3.7994E+00 -1.3367E+01 O6 2170 15.999400 -0.847600 -7.7044E+00 8.3361E+00 1.8375E+01 H1 2171 1.008000 0.423800 -7.4053E+00 9.2690E+00 1.8174E+01 H2 2172 1.008000 0.423800 -8.2763E+00 8.3389E+00 1.9196E+01 O6 2173 15.999400 -0.847600 -6.1001E+00 5.1106E+00 1.5547E+01 H1 2174 1.008000 0.423800 -6.8926E+00 5.1013E+00 1.6157E+01 H2 2175 1.008000 0.423800 -6.1683E+00 5.8895E+00 1.4924E+01 O6 2176 15.999400 -0.847600 1.6407E+01 3.8733E+00 -1.9345E+01 H1 2177 1.008000 0.423800 1.6551E+01 4.0435E+00 1.8777E+01 H2 2178 1.008000 0.423800 1.6889E+01 4.5683E+00 -1.8811E+01 O6 2179 15.999400 -0.847600 1.2274E+01 9.3960E+00 -4.6811E+00 H1 2180 1.008000 0.423800 1.2291E+01 9.4602E+00 -3.6833E+00 H2 2181 1.008000 0.423800 1.1328E+01 9.4416E+00 -5.0024E+00 O6 2182 15.999400 -0.847600 2.9205E+00 1.1663E+01 8.5972E+00 H1 2183 1.008000 0.423800 3.4440E+00 1.0827E+01 8.7613E+00 H2 2184 1.008000 0.423800 3.0312E+00 1.1944E+01 7.6438E+00 O6 2185 15.999400 -0.847600 -2.1145E+00 -1.0186E+01 -1.1550E+01 H1 2186 1.008000 0.423800 -1.8013E+00 -1.0266E+01 -1.0604E+01 H2 2187 1.008000 0.423800 -3.0151E+00 -9.7517E+00 -1.1567E+01 O6 2188 15.999400 -0.847600 -1.2792E+00 1.3934E+01 -3.0530E+00 H1 2189 1.008000 0.423800 -2.0883E+00 1.3415E+01 -3.3288E+00 H2 2190 1.008000 0.423800 -1.0179E+00 1.3675E+01 -2.1232E+00 O6 2191 15.999400 -0.847600 1.2109E+00 -3.1712E+00 1.5745E+01 H1 2192 1.008000 0.423800 1.8303E+00 -3.7016E+00 1.6324E+01 H2 2193 1.008000 0.423800 1.1115E+00 -3.6254E+00 1.4859E+01 O6 2194 15.999400 -0.847600 -1.0621E+01 1.5786E+01 1.3189E+01 H1 2195 1.008000 0.423800 -1.1395E+01 1.6121E+01 1.3727E+01 H2 2196 1.008000 0.423800 -1.0732E+01 1.6067E+01 1.2235E+01 O6 2197 15.999400 -0.847600 2.4880E-02 2.7355E+00 -1.5942E+01 H1 2198 1.008000 0.423800 -8.6961E-01 2.2895E+00 -1.5974E+01 H2 2199 1.008000 0.423800 7.3700E-01 2.0704E+00 -1.6167E+01 O6 2200 15.999400 -0.847600 -1.4539E+01 9.7270E+00 9.1393E+00 H1 2201 1.008000 0.423800 -1.5288E+01 9.0698E+00 9.0526E+00 H2 2202 1.008000 0.423800 -1.4566E+01 1.0145E+01 1.0047E+01 O6 2203 15.999400 -0.847600 1.7088E+01 -7.3611E+00 9.8072E+00 H1 2204 1.008000 0.423800 1.6580E+01 -7.1744E+00 1.0648E+01 H2 2205 1.008000 0.423800 1.7106E+01 -8.3469E+00 9.6404E+00 O6 2206 15.999400 -0.847600 -2.1314E+00 -7.9919E+00 1.2764E+01 H1 2207 1.008000 0.423800 -3.0485E+00 -8.2640E+00 1.3056E+01 H2 2208 1.008000 0.423800 -1.8761E+00 -7.1393E+00 1.3220E+01 O6 2209 15.999400 -0.847600 8.9883E+00 4.7343E+00 1.4828E+01 H1 2210 1.008000 0.423800 8.9247E+00 4.5551E+00 1.5810E+01 H2 2211 1.008000 0.423800 9.1816E+00 5.7039E+00 1.4678E+01 O6 2212 15.999400 -0.847600 8.0462E+00 1.0233E+01 6.3891E+00 H1 2213 1.008000 0.423800 8.8711E+00 1.0562E+01 5.9296E+00 H2 2214 1.008000 0.423800 8.0100E+00 9.2347E+00 6.3343E+00 O6 2215 15.999400 -0.847600 -2.0952E+00 -1.4483E+01 -1.2982E+01 H1 2216 1.008000 0.423800 -2.3699E+00 -1.3599E+01 -1.3362E+01 H2 2217 1.008000 0.423800 -1.3345E+00 -1.4350E+01 -1.2347E+01 O6 2218 15.999400 -0.847600 -1.1314E+01 -9.8611E+00 -8.9657E+00 H1 2219 1.008000 0.423800 -1.0537E+01 -9.2708E+00 -9.1831E+00 H2 2220 1.008000 0.423800 -1.1909E+01 -9.4004E+00 -8.3063E+00 O6 2221 15.999400 -0.847600 1.8412E+01 1.1781E+01 1.2141E+00 H1 2222 1.008000 0.423800 1.7724E+01 1.1784E+01 1.9394E+00 H2 2223 1.008000 0.423800 1.9325E+01 1.1785E+01 1.6214E+00 O6 2224 15.999400 -0.847600 1.2059E+01 -1.1636E+01 -9.8348E+00 H1 2225 1.008000 0.423800 1.2515E+01 -1.1108E+01 -9.1184E+00 H2 2226 1.008000 0.423800 1.2681E+01 -1.2341E+01 -1.0176E+01 O6 2227 15.999400 -0.847600 6.5571E+00 -3.9362E+00 -1.6798E+01 H1 2228 1.008000 0.423800 5.8338E+00 -4.5789E+00 -1.7051E+01 H2 2229 1.008000 0.423800 6.2863E+00 -3.0099E+00 -1.7060E+01 O6 2230 15.999400 -0.847600 -8.8504E+00 7.0880E+00 5.2653E+00 H1 2231 1.008000 0.423800 -8.7630E+00 6.8865E+00 4.2897E+00 H2 2232 1.008000 0.423800 -8.5755E+00 6.2870E+00 5.7970E+00 O6 2233 15.999400 -0.847600 1.8348E+01 1.5413E+01 4.2990E+00 H1 2234 1.008000 0.423800 1.9127E+01 1.5418E+01 3.6729E+00 H2 2235 1.008000 0.423800 1.7499E+01 1.5350E+01 3.7738E+00 O6 2236 15.999400 -0.847600 -6.8682E+00 -6.3108E+00 -1.0420E+01 H1 2237 1.008000 0.423800 -7.3651E+00 -5.5742E+00 -9.9612E+00 H2 2238 1.008000 0.423800 -5.9967E+00 -5.9611E+00 -1.0764E+01 O6 2239 15.999400 -0.847600 -1.0671E+01 -1.9017E+01 -8.2999E+00 H1 2240 1.008000 0.423800 -1.1173E+01 -1.8434E+01 -7.6609E+00 H2 2241 1.008000 0.423800 -1.0732E+01 -1.8632E+01 -9.2207E+00 O6 2242 15.999400 -0.847600 -1.8991E+01 5.3617E+00 6.6733E+00 H1 2243 1.008000 0.423800 -1.9241E+01 4.7313E+00 5.9384E+00 H2 2244 1.008000 0.423800 -1.8399E+01 4.8921E+00 7.3280E+00 O6 2245 15.999400 -0.847600 3.4840E+00 1.0008E+00 -4.9675E+00 H1 2246 1.008000 0.423800 3.1253E+00 5.5234E-01 -4.1488E+00 H2 2247 1.008000 0.423800 3.7635E+00 3.0767E-01 -5.6319E+00 O6 2248 15.999400 -0.847600 -1.7762E+01 1.7133E+01 -4.6579E+00 H1 2249 1.008000 0.423800 -1.8214E+01 1.7842E+01 -4.1168E+00 H2 2250 1.008000 0.423800 -1.8425E+01 1.6425E+01 -4.9009E+00 O6 2251 15.999400 -0.847600 -8.5805E+00 -7.0318E+00 9.9031E+00 H1 2252 1.008000 0.423800 -8.0075E+00 -7.4279E+00 9.1855E+00 H2 2253 1.008000 0.423800 -8.0453E+00 -6.3725E+00 1.0431E+01 O6 2254 15.999400 -0.847600 1.5085E+01 -2.5411E+00 -4.9889E+00 H1 2255 1.008000 0.423800 1.5677E+01 -2.7506E+00 -4.2109E+00 H2 2256 1.008000 0.423800 1.4130E+01 -2.5428E+00 -4.6910E+00 O6 2257 15.999400 -0.847600 -1.5359E+01 -1.4589E+01 -2.1906E+00 H1 2258 1.008000 0.423800 -1.5412E+01 -1.3875E+01 -2.8884E+00 H2 2259 1.008000 0.423800 -1.4857E+01 -1.4244E+01 -1.3978E+00 O6 2260 15.999400 -0.847600 -9.7456E+00 2.7841E+00 1.7330E+01 H1 2261 1.008000 0.423800 -9.4789E+00 3.6962E+00 1.7019E+01 H2 2262 1.008000 0.423800 -1.0218E+01 2.8567E+00 1.8208E+01 O6 2263 15.999400 -0.847600 -1.4543E+01 1.3973E+01 -5.1013E+00 H1 2264 1.008000 0.423800 -1.4668E+01 1.4945E+01 -5.2982E+00 H2 2265 1.008000 0.423800 -1.5413E+01 1.3580E+01 -4.8019E+00 O6 2266 15.999400 -0.847600 -1.2618E+01 4.6931E+00 -9.7026E-01 H1 2267 1.008000 0.423800 -1.2075E+01 3.8847E+00 -7.4231E-01 H2 2268 1.008000 0.423800 -1.2254E+01 5.4871E+00 -4.8328E-01 O6 2269 15.999400 -0.847600 1.2324E+01 -1.9205E+01 1.5509E+01 H1 2270 1.008000 0.423800 1.2539E+01 -1.8252E+01 1.5722E+01 H2 2271 1.008000 0.423800 1.2158E+01 1.9390E+01 1.6358E+01 O6 2272 15.999400 -0.847600 -7.6901E+00 -1.9213E+01 1.3013E+01 H1 2273 1.008000 0.423800 -8.5200E+00 -1.8906E+01 1.2547E+01 H2 2274 1.008000 0.423800 -7.8281E+00 1.8958E+01 1.3363E+01 O6 2275 15.999400 -0.847600 1.7056E+01 1.2629E+01 1.3701E+01 H1 2276 1.008000 0.423800 1.6280E+01 1.3046E+01 1.3228E+01 H2 2277 1.008000 0.423800 1.6735E+01 1.2177E+01 1.4533E+01 O6 2278 15.999400 -0.847600 -1.2729E+01 1.2830E+01 1.6028E+01 H1 2279 1.008000 0.423800 -1.2725E+01 1.3776E+01 1.6352E+01 H2 2280 1.008000 0.423800 -1.1811E+01 1.2444E+01 1.6115E+01 O6 2281 15.999400 -0.847600 -5.9081E+00 1.5741E+01 -1.6967E+01 H1 2282 1.008000 0.423800 -6.3932E+00 1.6511E+01 -1.6552E+01 H2 2283 1.008000 0.423800 -5.7861E+00 1.5911E+01 -1.7944E+01 O6 2284 15.999400 -0.847600 -1.6481E+00 6.7873E+00 -1.4866E+01 H1 2285 1.008000 0.423800 -2.0396E+00 5.9431E+00 -1.4500E+01 H2 2286 1.008000 0.423800 -1.6582E+00 7.4936E+00 -1.4159E+01 O6 2287 15.999400 -0.847600 6.3590E+00 1.9455E+01 -1.7836E+01 H1 2288 1.008000 0.423800 5.4801E+00 -1.9518E+01 -1.7375E+01 H2 2289 1.008000 0.423800 7.0910E+00 -1.9275E+01 -1.7262E+01 O6 2290 15.999400 -0.847600 -1.5067E+01 -1.5658E+01 -1.1771E+01 H1 2291 1.008000 0.423800 -1.5332E+01 -1.6335E+01 -1.2457E+01 H2 2292 1.008000 0.423800 -1.5252E+01 -1.6020E+01 -1.0857E+01 O6 2293 15.999400 -0.847600 1.8741E+00 -1.4649E+01 1.3556E+01 H1 2294 1.008000 0.423800 2.0177E+00 -1.4132E+01 1.2712E+01 H2 2295 1.008000 0.423800 2.2011E+00 -1.4113E+01 1.4334E+01 O6 2296 15.999400 -0.847600 4.7303E-01 -1.1683E+01 -5.2303E+00 H1 2297 1.008000 0.423800 2.3329E-01 -1.2376E+01 -5.9106E+00 H2 2298 1.008000 0.423800 2.5232E-01 -1.2023E+01 -4.3163E+00 O6 2299 15.999400 -0.847600 1.5791E+01 -1.1947E+01 -8.8479E+00 H1 2300 1.008000 0.423800 1.4934E+01 -1.1446E+01 -8.9682E+00 H2 2301 1.008000 0.423800 1.5965E+01 -1.2080E+01 -7.8723E+00 O6 2302 15.999400 -0.847600 -1.4946E+01 4.2558E-01 1.2316E+01 H1 2303 1.008000 0.423800 -1.4457E+01 1.1329E+00 1.2827E+01 H2 2304 1.008000 0.423800 -1.5924E+01 6.3310E-01 1.2312E+01 O6 2305 15.999400 -0.847600 3.7494E+00 4.0214E+00 -2.2921E+00 H1 2306 1.008000 0.423800 3.8953E+00 5.0107E+00 -2.2898E+00 H2 2307 1.008000 0.423800 3.2384E+00 3.7580E+00 -1.4739E+00 O6 2308 15.999400 -0.847600 -4.7286E+00 8.9471E+00 -1.8116E+01 H1 2309 1.008000 0.423800 -5.0305E+00 8.4202E+00 -1.8910E+01 H2 2310 1.008000 0.423800 -4.2897E+00 8.3356E+00 -1.7458E+01 O6 2311 15.999400 -0.847600 2.8991E+00 -1.4495E+01 -7.1416E+00 H1 2312 1.008000 0.423800 3.4850E+00 -1.4205E+01 -6.3848E+00 H2 2313 1.008000 0.423800 2.7454E+00 -1.5482E+01 -7.0854E+00 O6 2314 15.999400 -0.847600 -1.3027E+01 2.9706E+00 1.2960E+01 H1 2315 1.008000 0.423800 -1.2574E+01 3.5243E+00 1.2262E+01 H2 2316 1.008000 0.423800 -1.2357E+01 2.6789E+00 1.3642E+01 O6 2317 15.999400 -0.847600 -1.0593E+01 -4.3583E+00 1.2957E+01 H1 2318 1.008000 0.423800 -1.0612E+01 -5.0451E+00 1.2231E+01 H2 2319 1.008000 0.423800 -1.1439E+01 -3.8267E+00 1.2936E+01 O6 2320 15.999400 -0.847600 -9.9318E+00 -6.9815E+00 1.8891E+01 H1 2321 1.008000 0.423800 -1.0154E+01 -7.4711E+00 1.8047E+01 H2 2322 1.008000 0.423800 -9.3136E+00 -7.5379E+00 1.9446E+01 O6 2323 15.999400 -0.847600 6.6441E+00 -5.4690E+00 1.7166E+01 H1 2324 1.008000 0.423800 5.6699E+00 -5.5442E+00 1.7379E+01 H2 2325 1.008000 0.423800 7.1767E+00 -5.5567E+00 1.8008E+01 O6 2326 15.999400 -0.847600 -2.6256E+00 -9.1429E+00 -3.9897E+00 H1 2327 1.008000 0.423800 -2.9460E+00 -1.0089E+01 -3.9525E+00 H2 2328 1.008000 0.423800 -2.7163E+00 -8.7968E+00 -4.9235E+00 O6 2329 15.999400 -0.847600 2.9359E+00 1.0166E+01 1.7207E+01 H1 2330 1.008000 0.423800 3.1197E+00 9.6121E+00 1.8020E+01 H2 2331 1.008000 0.423800 3.2154E+00 9.6613E+00 1.6390E+01 O6 2332 15.999400 -0.847600 -6.8488E+00 -1.0672E+01 5.9013E+00 H1 2333 1.008000 0.423800 -7.2447E+00 -1.0727E+01 4.9847E+00 H2 2334 1.008000 0.423800 -6.1075E+00 -1.1338E+01 5.9845E+00 O6 2335 15.999400 -0.847600 -3.4108E+00 -6.5966E+00 9.1604E+00 H1 2336 1.008000 0.423800 -2.7416E+00 -5.8691E+00 9.3118E+00 H2 2337 1.008000 0.423800 -4.0498E+00 -6.6269E+00 9.9290E+00 O6 2338 15.999400 -0.847600 1.3987E+01 1.0315E+01 1.7820E+01 H1 2339 1.008000 0.423800 1.3746E+01 1.1241E+01 1.7531E+01 H2 2340 1.008000 0.423800 1.4948E+01 1.0290E+01 1.8096E+01 O6 2341 15.999400 -0.847600 -1.5542E+01 -5.5947E+00 4.2279E+00 H1 2342 1.008000 0.423800 -1.5608E+01 -4.6259E+00 4.4668E+00 H2 2343 1.008000 0.423800 -1.4638E+01 -5.9393E+00 4.4807E+00 O6 2344 15.999400 -0.847600 -1.7961E+01 1.1335E+01 1.5377E+01 H1 2345 1.008000 0.423800 -1.8606E+01 1.0867E+01 1.5981E+01 H2 2346 1.008000 0.423800 -1.8226E+01 1.2295E+01 1.5287E+01 O6 2347 15.999400 -0.847600 1.5592E+01 -1.8516E+01 -2.9441E+00 H1 2348 1.008000 0.423800 1.6431E+01 -1.8055E+01 -2.6531E+00 H2 2349 1.008000 0.423800 1.5822E+01 -1.9401E+01 -3.3479E+00 O6 2350 15.999400 -0.847600 -1.4215E+01 1.7630E+00 6.6095E+00 H1 2351 1.008000 0.423800 -1.4779E+01 2.0901E+00 5.8508E+00 H2 2352 1.008000 0.423800 -1.4562E+01 8.7966E-01 6.9252E+00 O6 2353 15.999400 -0.847600 1.7114E+01 -7.8849E+00 -9.1906E+00 H1 2354 1.008000 0.423800 1.7256E+01 -7.0023E+00 -8.7428E+00 H2 2355 1.008000 0.423800 1.6147E+01 -8.1358E+00 -9.1325E+00 O6 2356 15.999400 -0.847600 -1.4677E+00 -6.3277E-01 -1.0181E+01 H1 2357 1.008000 0.423800 -1.6566E+00 1.6574E-01 -1.0753E+01 H2 2358 1.008000 0.423800 -1.3287E+00 -3.4003E-01 -9.2353E+00 O6 2359 15.999400 -0.847600 1.6510E+01 1.4735E+01 9.4065E+00 H1 2360 1.008000 0.423800 1.6036E+01 1.5562E+01 9.7103E+00 H2 2361 1.008000 0.423800 1.6042E+01 1.4358E+01 8.6072E+00 O6 2362 15.999400 -0.847600 -2.2196E+00 1.5842E+01 -2.2908E-01 H1 2363 1.008000 0.423800 -1.9027E+00 1.6732E+01 -5.5778E-01 H2 2364 1.008000 0.423800 -1.5487E+00 1.5464E+01 4.0890E-01 O6 2365 15.999400 -0.847600 -1.8548E+01 2.9332E+00 1.9447E+01 H1 2366 1.008000 0.423800 -1.9142E+01 2.2077E+00 -1.9303E+01 H2 2367 1.008000 0.423800 -1.8434E+01 3.6353E+00 -1.8948E+01 O6 2368 15.999400 -0.847600 4.4064E+00 -1.3876E+01 -4.8674E+00 H1 2369 1.008000 0.423800 4.1817E+00 -1.3205E+01 -4.1607E+00 H2 2370 1.008000 0.423800 4.5033E+00 -1.4779E+01 -4.4503E+00 O6 2371 15.999400 -0.847600 -5.6462E+00 6.7564E+00 1.3468E+01 H1 2372 1.008000 0.423800 -5.6665E+00 7.7090E+00 1.3771E+01 H2 2373 1.008000 0.423800 -6.3604E+00 6.6094E+00 1.2783E+01 O6 2374 15.999400 -0.847600 2.9933E+00 1.2131E+00 3.6038E-01 H1 2375 1.008000 0.423800 2.0105E+00 1.1371E+00 5.2892E-01 H2 2376 1.008000 0.423800 3.2535E+00 2.1783E+00 3.3585E-01 O6 2377 15.999400 -0.847600 -1.5254E+01 1.5277E+01 1.3607E+01 H1 2378 1.008000 0.423800 -1.4467E+01 1.4663E+01 1.3553E+01 H2 2379 1.008000 0.423800 -1.5946E+01 1.4990E+01 1.2945E+01 O6 2380 15.999400 -0.847600 -1.2046E+01 -1.1901E+01 -1.0828E+01 H1 2381 1.008000 0.423800 -1.2113E+01 -1.1946E+01 -9.8316E+00 H2 2382 1.008000 0.423800 -1.1781E+01 -1.0977E+01 -1.1103E+01 O6 2383 15.999400 -0.847600 1.0384E+01 -1.6369E+01 2.9176E+00 H1 2384 1.008000 0.423800 1.0559E+01 -1.7278E+01 2.5395E+00 H2 2385 1.008000 0.423800 9.6960E+00 -1.6435E+01 3.6406E+00 O6 2386 15.999400 -0.847600 7.8776E+00 5.2919E+00 3.3333E+00 H1 2387 1.008000 0.423800 7.0756E+00 5.3978E+00 3.9212E+00 H2 2388 1.008000 0.423800 8.5943E+00 4.8044E+00 3.8320E+00 O6 2389 15.999400 -0.847600 -1.8330E+01 -1.5425E+01 -9.5756E+00 H1 2390 1.008000 0.423800 -1.8989E+01 -1.5760E+01 -8.9020E+00 H2 2391 1.008000 0.423800 -1.7404E+01 -1.5656E+01 -9.2796E+00 O6 2392 15.999400 -0.847600 8.1965E+00 -1.9746E+00 -4.4451E+00 H1 2393 1.008000 0.423800 8.4313E+00 -1.0178E+00 -4.2732E+00 H2 2394 1.008000 0.423800 7.6463E+00 -2.3241E+00 -3.6868E+00 O6 2395 15.999400 -0.847600 8.6823E+00 -5.5480E+00 -6.8960E+00 H1 2396 1.008000 0.423800 9.1575E+00 -6.2617E+00 -7.4106E+00 H2 2397 1.008000 0.423800 8.0792E+00 -5.0394E+00 -7.5106E+00 O6 2398 15.999400 -0.847600 -1.1316E+01 4.6355E+00 -3.2744E+00 H1 2399 1.008000 0.423800 -1.1589E+01 3.8170E+00 -3.7795E+00 H2 2400 1.008000 0.423800 -1.1855E+01 4.7052E+00 -2.4353E+00 O6 2401 15.999400 -0.847600 -1.5830E+01 2.6278E+00 1.8043E+00 H1 2402 1.008000 0.423800 -1.5160E+01 2.2985E+00 1.1380E+00 H2 2403 1.008000 0.423800 -1.6728E+01 2.2449E+00 1.5910E+00 O6 2404 15.999400 -0.847600 1.3468E+01 -8.2211E-03 -3.0563E+00 H1 2405 1.008000 0.423800 1.4439E+01 -6.8203E-03 -2.8179E+00 H2 2406 1.008000 0.423800 1.3327E+01 -5.6027E-01 -3.8781E+00 O6 2407 15.999400 -0.847600 -8.5202E+00 9.4916E+00 -1.2658E+01 H1 2408 1.008000 0.423800 -8.7884E+00 1.0356E+01 -1.3083E+01 H2 2409 1.008000 0.423800 -8.9508E+00 9.4145E+00 -1.1759E+01 O6 2410 15.999400 -0.847600 -1.6227E+01 8.0339E-02 -1.2550E+01 H1 2411 1.008000 0.423800 -1.5239E+01 2.1592E-01 -1.2623E+01 H2 2412 1.008000 0.423800 -1.6688E+01 9.6751E-01 -1.2574E+01 O6 2413 15.999400 -0.847600 -1.4908E+01 7.5126E+00 5.1604E+00 H1 2414 1.008000 0.423800 -1.5882E+01 7.6448E+00 4.9766E+00 H2 2415 1.008000 0.423800 -1.4371E+01 8.0952E+00 4.5500E+00 O6 2416 15.999400 -0.847600 2.9312E+00 -1.7531E+00 2.6995E+00 H1 2417 1.008000 0.423800 2.0562E+00 -1.3869E+00 2.3828E+00 H2 2418 1.008000 0.423800 3.5833E+00 -1.0040E+00 2.8162E+00 O6 2419 15.999400 -0.847600 1.5659E+01 -1.1471E+01 6.5088E+00 H1 2420 1.008000 0.423800 1.6620E+01 -1.1246E+01 6.3498E+00 H2 2421 1.008000 0.423800 1.5595E+01 -1.2368E+01 6.9462E+00 O6 2422 15.999400 -0.847600 -1.1245E+01 -1.0507E+01 1.3912E+01 H1 2423 1.008000 0.423800 -1.1774E+01 -1.1085E+01 1.3291E+01 H2 2424 1.008000 0.423800 -1.1493E+01 -9.5490E+00 1.3768E+01 O6 2425 15.999400 -0.847600 -1.1251E+01 3.7312E+00 -7.0050E+00 H1 2426 1.008000 0.423800 -1.1319E+01 3.3206E+00 -6.0957E+00 H2 2427 1.008000 0.423800 -1.2164E+01 3.9842E+00 -7.3259E+00 O6 2428 15.999400 -0.847600 1.8699E+01 -1.1483E+01 6.8034E+00 H1 2429 1.008000 0.423800 1.8611E+01 -1.0756E+01 6.1223E+00 H2 2430 1.008000 0.423800 1.9307E+01 -1.2196E+01 6.4538E+00 O6 2431 15.999400 -0.847600 1.4667E+01 8.7083E+00 5.1023E-01 H1 2432 1.008000 0.423800 1.4780E+01 9.0275E+00 -4.3065E-01 H2 2433 1.008000 0.423800 1.5558E+01 8.6785E+00 9.6213E-01 O6 2434 15.999400 -0.847600 1.2752E+01 -9.2242E+00 6.7557E+00 H1 2435 1.008000 0.423800 1.3267E+01 -9.0817E+00 7.6009E+00 H2 2436 1.008000 0.423800 1.2347E+01 -1.0138E+01 6.7626E+00 O6 2437 15.999400 -0.847600 1.8475E+01 -1.4747E+01 -1.7386E+01 H1 2438 1.008000 0.423800 1.8449E+01 -1.5551E+01 -1.6793E+01 H2 2439 1.008000 0.423800 1.8150E+01 -1.4996E+01 -1.8299E+01 O6 2440 15.999400 -0.847600 1.5899E+01 -6.3308E+00 -1.6440E+01 H1 2441 1.008000 0.423800 1.5119E+01 -6.6434E+00 -1.6981E+01 H2 2442 1.008000 0.423800 1.5573E+01 -5.9386E+00 -1.5580E+01 O6 2443 15.999400 -0.847600 1.6879E+00 1.6094E+01 -1.5421E+01 H1 2444 1.008000 0.423800 1.5460E+00 1.5109E+01 -1.5329E+01 H2 2445 1.008000 0.423800 1.0850E+00 1.6453E+01 -1.6133E+01 O6 2446 15.999400 -0.847600 5.0908E+00 3.5291E+00 9.8376E+00 H1 2447 1.008000 0.423800 4.8226E+00 2.5674E+00 9.7808E+00 H2 2448 1.008000 0.423800 5.0497E+00 3.8308E+00 1.0790E+01 O6 2449 15.999400 -0.847600 -1.8997E+01 -1.2880E+01 -4.3273E+00 H1 2450 1.008000 0.423800 -1.8579E+01 -1.2002E+01 -4.5576E+00 H2 2451 1.008000 0.423800 -1.8938E+01 -1.3494E+01 -5.1146E+00 O6 2452 15.999400 -0.847600 -1.9173E+01 3.3105E+00 -5.7490E+00 H1 2453 1.008000 0.423800 1.9450E+01 3.0897E+00 -4.8968E+00 H2 2454 1.008000 0.423800 1.9253E+01 3.5212E+00 -6.4593E+00 O6 2455 15.999400 -0.847600 -1.1712E+01 4.1718E+00 -1.0711E+01 H1 2456 1.008000 0.423800 -1.1323E+01 4.4245E+00 -9.8251E+00 H2 2457 1.008000 0.423800 -1.1111E+01 3.5123E+00 -1.1163E+01 O6 2458 15.999400 -0.847600 -9.2266E+00 -1.3366E+01 6.2597E+00 H1 2459 1.008000 0.423800 -9.2113E+00 -1.3719E+01 5.3242E+00 H2 2460 1.008000 0.423800 -9.1779E+00 -1.4129E+01 6.9046E+00 O6 2461 15.999400 -0.847600 -4.9850E+00 7.4787E+00 -1.1527E+01 H1 2462 1.008000 0.423800 -5.6350E+00 8.2061E+00 -1.1307E+01 H2 2463 1.008000 0.423800 -4.0780E+00 7.7284E+00 -1.1188E+01 O6 2464 15.999400 -0.847600 -1.8795E+01 1.1770E+01 -1.0380E+01 H1 2465 1.008000 0.423800 -1.9256E+01 1.2099E+01 -1.1204E+01 H2 2466 1.008000 0.423800 -1.7815E+01 1.1680E+01 -1.0560E+01 O6 2467 15.999400 -0.847600 -1.8658E+01 1.9285E+01 -1.2081E+01 H1 2468 1.008000 0.423800 -1.8864E+01 -1.8887E+01 -1.1764E+01 H2 2469 1.008000 0.423800 -1.9465E+01 1.8706E+01 -1.1964E+01 O6 2470 15.999400 -0.847600 1.4273E+01 3.4137E+00 -3.3435E+00 H1 2471 1.008000 0.423800 1.4338E+01 3.1877E+00 -2.3715E+00 H2 2472 1.008000 0.423800 1.4058E+01 2.5876E+00 -3.8641E+00 O6 2473 15.999400 -0.847600 -2.8431E+00 1.1977E+01 -4.0330E+00 H1 2474 1.008000 0.423800 -3.8087E+00 1.1936E+01 -4.2896E+00 H2 2475 1.008000 0.423800 -2.2781E+00 1.1961E+01 -4.8579E+00 O6 2476 15.999400 -0.847600 -1.2489E+00 -3.2685E+00 -3.8143E+00 H1 2477 1.008000 0.423800 -1.4805E+00 -3.1855E+00 -4.7835E+00 H2 2478 1.008000 0.423800 -2.6415E-01 -3.4133E+00 -3.7181E+00 O6 2479 15.999400 -0.847600 -3.9894E+00 1.6567E+01 1.2312E+01 H1 2480 1.008000 0.423800 -4.9585E+00 1.6325E+01 1.2362E+01 H2 2481 1.008000 0.423800 -3.8673E+00 1.7324E+01 1.1671E+01 O6 2482 15.999400 -0.847600 -7.2446E+00 8.1530E+00 -8.5914E+00 H1 2483 1.008000 0.423800 -7.7847E+00 8.4776E+00 -9.3679E+00 H2 2484 1.008000 0.423800 -6.8812E+00 8.9366E+00 -8.0875E+00 O6 2485 15.999400 -0.847600 1.0693E+01 1.0009E+01 1.4591E+01 H1 2486 1.008000 0.423800 1.0368E+01 9.1078E+00 1.4305E+01 H2 2487 1.008000 0.423800 1.0198E+01 1.0298E+01 1.5410E+01 O6 2488 15.999400 -0.847600 -3.2046E+00 -4.1905E+00 -2.3836E+00 H1 2489 1.008000 0.423800 -2.4943E+00 -3.6282E+00 -2.8070E+00 H2 2490 1.008000 0.423800 -2.8773E+00 -5.1315E+00 -2.2971E+00 O6 2491 15.999400 -0.847600 -9.1148E+00 6.6673E+00 -7.4241E+00 H1 2492 1.008000 0.423800 -8.2583E+00 7.1050E+00 -7.6977E+00 H2 2493 1.008000 0.423800 -9.2008E+00 5.7849E+00 -7.8867E+00 O6 2494 15.999400 -0.847600 6.7697E+00 -1.9045E+01 -7.1077E+00 H1 2495 1.008000 0.423800 6.4896E+00 -1.8807E+01 -6.1777E+00 H2 2496 1.008000 0.423800 6.2778E+00 1.9234E+01 -7.4049E+00 O6 2497 15.999400 -0.847600 -1.1985E+01 -1.2223E+01 1.7891E+01 H1 2498 1.008000 0.423800 -1.1129E+01 -1.1707E+01 1.7878E+01 H2 2499 1.008000 0.423800 -1.1813E+01 -1.3162E+01 1.7592E+01 O6 2500 15.999400 -0.847600 -2.6136E+00 8.9065E+00 1.1159E+01 H1 2501 1.008000 0.423800 -2.5119E+00 9.7521E+00 1.1683E+01 H2 2502 1.008000 0.423800 -1.7139E+00 8.4955E+00 1.1011E+01 O6 2503 15.999400 -0.847600 3.7636E+00 -5.5775E+00 -1.6516E+01 H1 2504 1.008000 0.423800 3.5363E+00 -4.6992E+00 -1.6095E+01 H2 2505 1.008000 0.423800 4.3142E+00 -5.4216E+00 -1.7336E+01 O6 2506 15.999400 -0.847600 -9.3845E+00 2.9470E+00 6.4978E+00 H1 2507 1.008000 0.423800 -8.7431E+00 2.9475E+00 5.7306E+00 H2 2508 1.008000 0.423800 -9.6450E+00 3.8877E+00 6.7151E+00 O6 2509 15.999400 -0.847600 1.8344E+01 -6.0502E+00 1.8101E+01 H1 2510 1.008000 0.423800 1.7902E+01 -5.8523E+00 1.8976E+01 H2 2511 1.008000 0.423800 1.9117E+01 -6.6680E+00 1.8250E+01 O6 2512 15.999400 -0.847600 -2.9671E+00 1.6927E+01 1.4794E+01 H1 2513 1.008000 0.423800 -3.4094E+00 1.6981E+01 1.3898E+01 H2 2514 1.008000 0.423800 -2.4392E+00 1.6079E+01 1.4853E+01 O6 2515 15.999400 -0.847600 4.5273E-01 -1.3356E+01 -2.5793E+00 H1 2516 1.008000 0.423800 -2.3429E-01 -1.2842E+01 -2.0653E+00 H2 2517 1.008000 0.423800 1.3481E+00 -1.2927E+01 -2.4593E+00 O6 2518 15.999400 -0.847600 1.7672E+01 -1.1129E+01 -1.1872E+01 H1 2519 1.008000 0.423800 1.6673E+01 -1.1138E+01 -1.1847E+01 H2 2520 1.008000 0.423800 1.8005E+01 -1.1996E+01 -1.2242E+01 O6 2521 15.999400 -0.847600 -1.1761E+01 -1.4740E+01 1.6731E+01 H1 2522 1.008000 0.423800 -1.0957E+01 -1.4894E+01 1.6157E+01 H2 2523 1.008000 0.423800 -1.2150E+01 -1.5620E+01 1.7003E+01 O6 2524 15.999400 -0.847600 -1.1672E+01 1.1116E+00 -8.0012E+00 H1 2525 1.008000 0.423800 -1.2446E+01 1.4480E+00 -8.5380E+00 H2 2526 1.008000 0.423800 -1.1240E+01 1.8766E+00 -7.5237E+00 O6 2527 15.999400 -0.847600 -1.3613E+01 3.9868E+00 -8.0673E+00 H1 2528 1.008000 0.423800 -1.4339E+01 3.4638E+00 -8.5146E+00 H2 2529 1.008000 0.423800 -1.3921E+01 4.9270E+00 -7.9219E+00 O6 2530 15.999400 -0.847600 1.4600E+01 -1.1540E+01 -5.0408E+00 H1 2531 1.008000 0.423800 1.5426E+01 -1.1382E+01 -5.5820E+00 H2 2532 1.008000 0.423800 1.4585E+01 -1.0910E+01 -4.2639E+00 O6 2533 15.999400 -0.847600 -5.8107E+00 -1.4279E+01 1.5880E+01 H1 2534 1.008000 0.423800 -4.8200E+00 -1.4148E+01 1.5841E+01 H2 2535 1.008000 0.423800 -6.2617E+00 -1.3574E+01 1.5332E+01 O6 2536 15.999400 -0.847600 -4.9702E-01 -2.9163E+00 1.7691E+01 H1 2537 1.008000 0.423800 -1.5476E-01 -2.2661E+00 1.8370E+01 H2 2538 1.008000 0.423800 1.9380E-01 -3.0514E+00 1.6981E+01 O6 2539 15.999400 -0.847600 1.4737E+01 1.0662E+01 6.5166E+00 H1 2540 1.008000 0.423800 1.3805E+01 1.1008E+01 6.6238E+00 H2 2541 1.008000 0.423800 1.5389E+01 1.1378E+01 6.7674E+00 O6 2542 15.999400 -0.847600 1.6926E+01 6.1696E+00 3.5686E+00 H1 2543 1.008000 0.423800 1.6532E+01 7.0581E+00 3.8040E+00 H2 2544 1.008000 0.423800 1.6332E+01 5.4408E+00 3.9096E+00 O6 2545 15.999400 -0.847600 -1.4856E+00 -1.5502E+01 -8.6849E+00 H1 2546 1.008000 0.423800 -1.2327E+00 -1.6469E+01 -8.6487E+00 H2 2547 1.008000 0.423800 -2.1268E+00 -1.5297E+01 -7.9453E+00 O6 2548 15.999400 -0.847600 -1.0666E+01 1.3878E+01 -7.5081E+00 H1 2549 1.008000 0.423800 -1.1089E+01 1.3085E+01 -7.0687E+00 H2 2550 1.008000 0.423800 -1.1018E+01 1.3969E+01 -8.4397E+00 O6 2551 15.999400 -0.847600 5.6834E+00 -1.1804E+01 5.7858E+00 H1 2552 1.008000 0.423800 4.7947E+00 -1.2220E+01 5.5926E+00 H2 2553 1.008000 0.423800 5.5775E+00 -1.1104E+01 6.4926E+00 O6 2554 15.999400 -0.847600 2.2290E+00 -2.1234E+00 -1.9825E+00 H1 2555 1.008000 0.423800 1.9618E+00 -3.0111E+00 -2.3574E+00 H2 2556 1.008000 0.423800 2.3606E+00 -1.4720E+00 -2.7297E+00 O6 2557 15.999400 -0.847600 -1.7139E+01 -1.8925E+01 1.8223E+01 H1 2558 1.008000 0.423800 -1.6893E+01 -1.8200E+01 1.7581E+01 H2 2559 1.008000 0.423800 -1.7091E+01 -1.8573E+01 1.9158E+01 O6 2560 15.999400 -0.847600 5.5970E+00 1.5621E+01 -5.4771E+00 H1 2561 1.008000 0.423800 4.7251E+00 1.5131E+01 -5.4743E+00 H2 2562 1.008000 0.423800 6.1409E+00 1.5337E+01 -4.6872E+00 O6 2563 15.999400 -0.847600 -9.9797E+00 -1.8579E+01 1.1648E+01 H1 2564 1.008000 0.423800 -1.0653E+01 -1.8131E+01 1.2236E+01 H2 2565 1.008000 0.423800 -1.0415E+01 -1.9334E+01 1.1158E+01 O6 2566 15.999400 -0.847600 7.0915E+00 -1.3742E+01 8.1783E-01 H1 2567 1.008000 0.423800 8.0014E+00 -1.4142E+01 9.3121E-01 H2 2568 1.008000 0.423800 6.9517E+00 -1.3499E+01 -1.4190E-01 O6 2569 15.999400 -0.847600 3.4348E+00 1.0125E+01 -5.7807E+00 H1 2570 1.008000 0.423800 3.5693E+00 9.2551E+00 -5.3064E+00 H2 2571 1.008000 0.423800 2.8448E+00 9.9837E+00 -6.5756E+00 O6 2572 15.999400 -0.847600 -4.8313E+00 -1.1982E+01 1.2105E+01 H1 2573 1.008000 0.423800 -4.9541E+00 -1.1550E+01 1.2999E+01 H2 2574 1.008000 0.423800 -5.6777E+00 -1.2443E+01 1.1839E+01 O6 2575 15.999400 -0.847600 1.5118E+01 -3.2854E+00 3.1701E+00 H1 2576 1.008000 0.423800 1.5464E+01 -4.0184E+00 3.7558E+00 H2 2577 1.008000 0.423800 1.4634E+01 -3.6824E+00 2.3903E+00 O6 2578 15.999400 -0.847600 -9.3341E+00 7.9109E+00 1.6033E+01 H1 2579 1.008000 0.423800 -1.0071E+01 8.4028E+00 1.6496E+01 H2 2580 1.008000 0.423800 -8.5383E+00 7.8573E+00 1.6636E+01 O6 2581 15.999400 -0.847600 1.3418E+01 7.2980E+00 1.0106E+01 H1 2582 1.008000 0.423800 1.2445E+01 7.1088E+00 9.9739E+00 H2 2583 1.008000 0.423800 1.3952E+01 6.4937E+00 9.8467E+00 O6 2584 15.999400 -0.847600 -1.5419E+01 2.4047E+00 -1.6666E+01 H1 2585 1.008000 0.423800 -1.5305E+01 3.0396E+00 -1.7430E+01 H2 2586 1.008000 0.423800 -1.6393E+01 2.2401E+00 -1.6511E+01 O6 2587 15.999400 -0.847600 1.3807E+01 -3.6341E+00 1.5253E+01 H1 2588 1.008000 0.423800 1.4625E+01 -3.8526E+00 1.5786E+01 H2 2589 1.008000 0.423800 1.3235E+01 -2.9959E+00 1.5768E+01 O6 2590 15.999400 -0.847600 7.8534E-01 1.4199E+01 -1.8057E+01 H1 2591 1.008000 0.423800 4.0126E-01 1.3340E+01 -1.7717E+01 H2 2592 1.008000 0.423800 9.5970E-01 1.4120E+01 -1.9039E+01 O6 2593 15.999400 -0.847600 -3.7316E+00 5.6014E+00 1.6448E+01 H1 2594 1.008000 0.423800 -3.0892E+00 4.9239E+00 1.6089E+01 H2 2595 1.008000 0.423800 -4.6428E+00 5.4268E+00 1.6075E+01 O6 2596 15.999400 -0.847600 -2.8098E+00 6.5505E+00 7.6692E+00 H1 2597 1.008000 0.423800 -3.3807E+00 5.9216E+00 8.1970E+00 H2 2598 1.008000 0.423800 -2.9119E+00 7.4770E+00 8.0312E+00 O6 2599 15.999400 -0.847600 1.8305E+01 1.1170E+01 -3.8278E+00 H1 2600 1.008000 0.423800 1.8239E+01 1.1018E+01 -2.8418E+00 H2 2601 1.008000 0.423800 1.7602E+01 1.1822E+01 -4.1125E+00 O6 2602 15.999400 -0.847600 -6.2184E+00 -1.6834E+01 1.6788E+01 H1 2603 1.008000 0.423800 -6.3980E+00 -1.5857E+01 1.6668E+01 H2 2604 1.008000 0.423800 -5.2436E+00 -1.7012E+01 1.6654E+01 O6 2605 15.999400 -0.847600 1.7302E+01 -1.9226E+01 -1.0139E+01 H1 2606 1.008000 0.423800 1.8093E+01 1.9545E+01 -9.6220E+00 H2 2607 1.008000 0.423800 1.7542E+01 -1.8380E+01 -1.0616E+01 O6 2608 15.999400 -0.847600 1.6126E+01 4.8415E+00 1.3453E+01 H1 2609 1.008000 0.423800 1.7017E+01 4.8433E+00 1.3908E+01 H2 2610 1.008000 0.423800 1.6022E+01 3.9963E+00 1.2929E+01 O6 2611 15.999400 -0.847600 1.5599E+00 9.6441E+00 -7.8801E+00 H1 2612 1.008000 0.423800 8.5401E-01 1.0332E+01 -7.7116E+00 H2 2613 1.008000 0.423800 1.4566E+00 9.2804E+00 -8.8058E+00 O6 2614 15.999400 -0.847600 5.4633E+00 -1.2949E+01 1.3441E+01 H1 2615 1.008000 0.423800 5.0475E+00 -1.3777E+01 1.3066E+01 H2 2616 1.008000 0.423800 6.0944E+00 -1.3196E+01 1.4176E+01 O6 2617 15.999400 -0.847600 -1.9493E+00 9.7991E+00 -3.0710E+00 H1 2618 1.008000 0.423800 -1.3974E+00 9.4291E+00 -3.8184E+00 H2 2619 1.008000 0.423800 -2.2769E+00 1.0711E+01 -3.3184E+00 O6 2620 15.999400 -0.847600 1.3557E+00 1.7812E+01 -6.0600E-01 H1 2621 1.008000 0.423800 1.1981E+00 1.8796E+01 -5.2096E-01 H2 2622 1.008000 0.423800 6.8285E-01 1.7420E+01 -1.2332E+00 O6 2623 15.999400 -0.847600 9.8291E-01 -1.8740E+01 -1.3322E+00 H1 2624 1.008000 0.423800 5.5922E-01 -1.8252E+01 -2.0959E+00 H2 2625 1.008000 0.423800 1.5187E+00 -1.8098E+01 -7.8367E-01 O6 2626 15.999400 -0.847600 6.6667E+00 1.3689E+01 -1.3808E+01 H1 2627 1.008000 0.423800 6.3934E+00 1.4203E+01 -1.4621E+01 H2 2628 1.008000 0.423800 6.9457E+00 1.4325E+01 -1.3089E+01 O6 2629 15.999400 -0.847600 -1.6958E+01 -9.2901E+00 -9.6609E+00 H1 2630 1.008000 0.423800 -1.7627E+01 -1.0033E+01 -9.6191E+00 H2 2631 1.008000 0.423800 -1.6290E+01 -9.4831E+00 -1.0380E+01 O6 2632 15.999400 -0.847600 -6.8018E+00 2.4722E-01 1.0778E+01 H1 2633 1.008000 0.423800 -7.3296E+00 9.3023E-01 1.0273E+01 H2 2634 1.008000 0.423800 -6.0644E+00 6.9977E-01 1.1279E+01 O6 2635 15.999400 -0.847600 1.3109E+01 1.8710E+01 -1.8803E+00 H1 2636 1.008000 0.423800 1.2661E+01 -1.9497E+01 -1.7992E+00 H2 2637 1.008000 0.423800 1.3878E+01 1.8665E+01 -1.2432E+00 O6 2638 15.999400 -0.847600 -4.5205E+00 -1.9539E+01 -1.1483E+01 H1 2639 1.008000 0.423800 -3.8117E+00 1.9273E+01 -1.0838E+01 H2 2640 1.008000 0.423800 -4.2520E+00 1.9298E+01 -1.2410E+01 O6 2641 15.999400 -0.847600 7.8284E+00 1.3658E+01 1.3414E+00 H1 2642 1.008000 0.423800 7.9910E+00 1.4595E+01 1.0320E+00 H2 2643 1.008000 0.423800 6.8620E+00 1.3547E+01 1.5730E+00 O6 2644 15.999400 -0.847600 3.6303E+00 -1.1881E+01 -1.3289E+01 H1 2645 1.008000 0.423800 3.6484E+00 -1.1887E+01 -1.4288E+01 H2 2646 1.008000 0.423800 3.6910E+00 -1.0939E+01 -1.2960E+01 O6 2647 15.999400 -0.847600 -1.6885E+01 4.7610E+00 -1.2956E+01 H1 2648 1.008000 0.423800 -1.6321E+01 5.2656E+00 -1.3610E+01 H2 2649 1.008000 0.423800 -1.6705E+01 5.0983E+00 -1.2032E+01 O6 2650 15.999400 -0.847600 -4.4763E+00 1.1158E+01 1.4099E+01 H1 2651 1.008000 0.423800 -5.0564E+00 1.1019E+01 1.3297E+01 H2 2652 1.008000 0.423800 -3.5186E+00 1.1201E+01 1.3815E+01 O6 2653 15.999400 -0.847600 -1.1709E+01 -2.1395E-01 -1.8578E+01 H1 2654 1.008000 0.423800 -1.1076E+01 4.9022E-01 -1.8901E+01 H2 2655 1.008000 0.423800 -1.2650E+01 9.8556E-02 -1.8708E+01 O6 2656 15.999400 -0.847600 -1.2983E+01 5.8398E+00 6.4172E+00 H1 2657 1.008000 0.423800 -1.2778E+01 5.2075E+00 5.6701E+00 H2 2658 1.008000 0.423800 -1.3728E+01 6.4475E+00 6.1446E+00 O6 2659 15.999400 -0.847600 1.7699E+01 1.5038E+01 -1.0954E+01 H1 2660 1.008000 0.423800 1.8012E+01 1.5958E+01 -1.1188E+01 H2 2661 1.008000 0.423800 1.7485E+01 1.4997E+01 -9.9785E+00 O6 2662 15.999400 -0.847600 1.8742E+01 8.9098E+00 1.2264E+01 H1 2663 1.008000 0.423800 1.8542E+01 9.8805E+00 1.2131E+01 H2 2664 1.008000 0.423800 1.7908E+01 8.3758E+00 1.2131E+01 O6 2665 15.999400 -0.847600 -5.8591E-02 5.4375E+00 -1.6579E+01 H1 2666 1.008000 0.423800 -5.9855E-01 5.9534E+00 -1.5914E+01 H2 2667 1.008000 0.423800 -2.3819E-01 4.4601E+00 -1.6468E+01 O6 2668 15.999400 -0.847600 -3.3142E+00 2.6317E+00 -1.7435E+01 H1 2669 1.008000 0.423800 -3.7011E+00 1.8830E+00 -1.7973E+01 H2 2670 1.008000 0.423800 -3.9889E+00 3.3651E+00 -1.7351E+01 O6 2671 15.999400 -0.847600 1.0710E+01 9.2684E+00 7.6534E+00 H1 2672 1.008000 0.423800 1.0259E+01 8.5210E+00 8.1421E+00 H2 2673 1.008000 0.423800 1.1037E+01 8.9383E+00 6.7679E+00 O6 2674 15.999400 -0.847600 -1.1097E+01 -1.2409E+01 -7.8676E+00 H1 2675 1.008000 0.423800 -1.0831E+01 -1.1610E+01 -8.4061E+00 H2 2676 1.008000 0.423800 -1.2028E+01 -1.2285E+01 -7.5255E+00 O6 2677 15.999400 -0.847600 4.8462E+00 1.9219E-01 -1.0517E+01 H1 2678 1.008000 0.423800 4.8283E+00 4.6035E-01 -9.5543E+00 H2 2679 1.008000 0.423800 3.9327E+00 2.9856E-01 -1.0910E+01 O6 2680 15.999400 -0.847600 -1.0298E+01 -5.0324E+00 1.0389E+01 H1 2681 1.008000 0.423800 -1.1107E+01 -4.9258E+00 9.8103E+00 H2 2682 1.008000 0.423800 -9.8448E+00 -5.8968E+00 1.0172E+01 O6 2683 15.999400 -0.847600 8.9382E+00 6.2357E+00 -1.5749E+01 H1 2684 1.008000 0.423800 8.1580E+00 6.2040E+00 -1.5124E+01 H2 2685 1.008000 0.423800 9.6016E+00 6.9076E+00 -1.5420E+01 O6 2686 15.999400 -0.847600 1.1415E+00 1.6584E+01 -1.2837E+01 H1 2687 1.008000 0.423800 2.0582E-01 1.6908E+01 -1.2696E+01 H2 2688 1.008000 0.423800 1.3636E+00 1.6619E+01 -1.3811E+01 O6 2689 15.999400 -0.847600 1.9280E+01 1.8687E+01 1.9493E+00 H1 2690 1.008000 0.423800 -1.8832E+01 1.8516E+01 1.9536E+00 H2 2691 1.008000 0.423800 1.9059E+01 1.9379E+01 2.6362E+00 O6 2692 15.999400 -0.847600 1.5681E+01 -1.6497E+01 1.8507E+00 H1 2693 1.008000 0.423800 1.5656E+01 -1.7484E+01 2.0133E+00 H2 2694 1.008000 0.423800 1.5213E+01 -1.6024E+01 2.5977E+00 O6 2695 15.999400 -0.847600 6.4772E+00 -1.5615E+01 -3.0168E+00 H1 2696 1.008000 0.423800 7.2002E+00 -1.5266E+01 -2.4204E+00 H2 2697 1.008000 0.423800 6.6517E+00 -1.5324E+01 -3.9575E+00 O6 2698 15.999400 -0.847600 -5.3839E+00 -8.7541E+00 -1.7569E+01 H1 2699 1.008000 0.423800 -4.8958E+00 -9.2102E+00 -1.8313E+01 H2 2700 1.008000 0.423800 -5.6881E+00 -9.4354E+00 -1.6903E+01 O6 2701 15.999400 -0.847600 8.1423E+00 1.6387E+01 -1.6790E-01 H1 2702 1.008000 0.423800 7.9546E+00 1.6972E+01 6.2104E-01 H2 2703 1.008000 0.423800 7.9540E+00 1.6893E+01 -1.0100E+00 O6 2704 15.999400 -0.847600 1.0048E+01 -1.4554E+01 -7.7363E+00 H1 2705 1.008000 0.423800 1.0649E+01 -1.4961E+01 -7.0488E+00 H2 2706 1.008000 0.423800 9.8738E+00 -1.3597E+01 -7.5017E+00 O6 2707 15.999400 -0.847600 -1.0973E+01 -2.9518E-01 -1.3067E+01 H1 2708 1.008000 0.423800 -1.0660E+01 -8.3078E-01 -1.2283E+01 H2 2709 1.008000 0.423800 -1.0295E+01 -3.4987E-01 -1.3800E+01 O6 2710 15.999400 -0.847600 -1.6741E+00 -1.8030E+01 1.9362E+01 H1 2711 1.008000 0.423800 -1.8587E+00 -1.7226E+01 -1.9170E+01 H2 2712 1.008000 0.423800 -9.5895E-01 -1.7813E+01 1.8697E+01 O6 2713 15.999400 -0.847600 -9.8033E+00 8.9239E+00 -1.0213E+01 H1 2714 1.008000 0.423800 -1.0252E+01 9.7205E+00 -1.0618E+01 H2 2715 1.008000 0.423800 -1.0471E+01 8.3962E+00 -9.6883E+00 O6 2716 15.999400 -0.847600 8.3595E+00 1.6966E+01 -9.6852E+00 H1 2717 1.008000 0.423800 7.5939E+00 1.6921E+01 -9.0435E+00 H2 2718 1.008000 0.423800 8.0925E+00 1.6547E+01 -1.0553E+01 O6 2719 15.999400 -0.847600 -1.4327E+00 -5.2037E-01 -2.6759E+00 H1 2720 1.008000 0.423800 -2.1928E+00 -1.1700E-01 -3.1855E+00 H2 2721 1.008000 0.423800 -1.7293E+00 -1.3801E+00 -2.2601E+00 O6 2722 15.999400 -0.847600 1.9366E+01 -9.3935E+00 -1.7178E+01 H1 2723 1.008000 0.423800 1.9032E+01 -1.0083E+01 -1.6536E+01 H2 2724 1.008000 0.423800 -1.9245E+01 -9.8435E+00 -1.7927E+01 O6 2725 15.999400 -0.847600 1.4455E+01 7.8603E-01 -1.3418E+01 H1 2726 1.008000 0.423800 1.3930E+01 -5.9954E-02 -1.3323E+01 H2 2727 1.008000 0.423800 1.5410E+01 6.1442E-01 -1.3177E+01 O6 2728 15.999400 -0.847600 -1.5143E+01 -3.6989E+00 -5.7652E-02 H1 2729 1.008000 0.423800 -1.4934E+01 -2.7983E+00 3.2313E-01 H2 2730 1.008000 0.423800 -1.4817E+01 -3.7459E+00 -1.0016E+00 O6 2731 15.999400 -0.847600 5.1588E+00 -1.7160E+01 -8.4210E+00 H1 2732 1.008000 0.423800 5.5983E+00 -1.7705E+01 -7.7076E+00 H2 2733 1.008000 0.423800 5.5701E+00 -1.6249E+01 -8.4446E+00 O6 2734 15.999400 -0.847600 -1.9765E+00 1.5479E+00 -1.1805E+01 H1 2735 1.008000 0.423800 -2.0029E+00 1.7644E+00 -1.2781E+01 H2 2736 1.008000 0.423800 -2.7661E+00 1.9603E+00 -1.1351E+01 O6 2737 15.999400 -0.847600 -1.8584E+01 -7.1927E+00 -9.5643E+00 H1 2738 1.008000 0.423800 -1.9058E+01 -7.5686E+00 -1.0360E+01 H2 2739 1.008000 0.423800 -1.7794E+01 -7.7657E+00 -9.3457E+00 O6 2740 15.999400 -0.847600 1.5377E+00 -1.6224E+01 7.4563E+00 H1 2741 1.008000 0.423800 1.5668E+00 -1.5229E+01 7.5480E+00 H2 2742 1.008000 0.423800 2.4228E+00 -1.6609E+01 7.7183E+00 O6 2743 15.999400 -0.847600 -3.5484E+00 1.8607E+01 1.8918E+01 H1 2744 1.008000 0.423800 -4.3920E+00 1.8401E+01 1.9414E+01 H2 2745 1.008000 0.423800 -3.3929E+00 -1.9503E+01 1.8920E+01 O6 2746 15.999400 -0.847600 -8.0281E-01 1.9211E+01 -7.6225E+00 H1 2747 1.008000 0.423800 1.8408E-01 1.9230E+01 -7.7829E+00 H2 2748 1.008000 0.423800 -1.0663E+00 1.8312E+01 -7.2727E+00 O6 2749 15.999400 -0.847600 -4.7715E+00 1.5772E+01 8.5222E+00 H1 2750 1.008000 0.423800 -4.4890E+00 1.6341E+01 7.7501E+00 H2 2751 1.008000 0.423800 -5.5503E+00 1.5206E+01 8.2515E+00 O6 2752 15.999400 -0.847600 3.3136E+00 9.7229E+00 1.2305E+01 H1 2753 1.008000 0.423800 2.4452E+00 9.3120E+00 1.2583E+01 H2 2754 1.008000 0.423800 3.5030E+00 1.0520E+01 1.2878E+01 O6 2755 15.999400 -0.847600 7.2847E+00 2.1155E+00 -7.1287E+00 H1 2756 1.008000 0.423800 8.0047E+00 1.4677E+00 -7.3779E+00 H2 2757 1.008000 0.423800 7.5418E+00 2.5924E+00 -6.2882E+00 O6 2758 15.999400 -0.847600 -1.7910E+01 -6.2645E-01 -1.4749E+01 H1 2759 1.008000 0.423800 -1.8739E+01 -1.0224E-01 -1.4554E+01 H2 2760 1.008000 0.423800 -1.7268E+01 -5.3014E-01 -1.3989E+01 O6 2761 15.999400 -0.847600 1.1119E+01 -3.1120E+00 -1.5885E+00 H1 2762 1.008000 0.423800 1.1610E+01 -2.2698E+00 -1.3658E+00 H2 2763 1.008000 0.423800 1.0361E+01 -3.2346E+00 -9.4872E-01 O6 2764 15.999400 -0.847600 1.6102E+01 1.8677E+01 -1.2195E+01 H1 2765 1.008000 0.423800 1.5146E+01 1.8971E+01 -1.2204E+01 H2 2766 1.008000 0.423800 1.6579E+01 1.9118E+01 -1.1434E+01 O6 2767 15.999400 -0.847600 -3.3263E+00 3.7184E+00 -6.7910E+00 H1 2768 1.008000 0.423800 -3.0212E+00 4.0257E+00 -5.8896E+00 H2 2769 1.008000 0.423800 -3.3285E+00 4.4926E+00 -7.4239E+00 O6 2770 15.999400 -0.847600 5.9196E+00 3.0836E+00 2.0721E+00 H1 2771 1.008000 0.423800 6.4339E+00 3.6540E+00 2.7126E+00 H2 2772 1.008000 0.423800 4.9437E+00 3.1441E+00 2.2815E+00 O6 2773 15.999400 -0.847600 -7.5594E+00 8.8232E+00 1.3639E+01 H1 2774 1.008000 0.423800 -8.3299E+00 8.3691E+00 1.4086E+01 H2 2775 1.008000 0.423800 -7.7682E+00 8.9571E+00 1.2670E+01 O6 2776 15.999400 -0.847600 1.9071E+01 -9.8153E+00 -2.8506E+00 H1 2777 1.008000 0.423800 -1.9251E+01 -9.9651E+00 -3.4643E+00 H2 2778 1.008000 0.423800 1.8780E+01 -1.0690E+01 -2.4621E+00 O6 2779 15.999400 -0.847600 7.5591E+00 -8.1169E+00 8.5891E+00 H1 2780 1.008000 0.423800 7.3354E+00 -7.6143E+00 9.4242E+00 H2 2781 1.008000 0.423800 8.5517E+00 -8.2111E+00 8.5126E+00 O6 2782 15.999400 -0.847600 1.2319E+01 -1.8557E+01 1.0659E+01 H1 2783 1.008000 0.423800 1.3045E+01 -1.9245E+01 1.0675E+01 H2 2784 1.008000 0.423800 1.1600E+01 -1.8847E+01 1.0028E+01 O6 2785 15.999400 -0.847600 -1.6408E+00 1.0441E+01 1.7125E+01 H1 2786 1.008000 0.423800 -1.7341E+00 9.4468E+00 1.7072E+01 H2 2787 1.008000 0.423800 -7.4422E-01 1.0711E+01 1.6774E+01 O6 2788 15.999400 -0.847600 8.2365E+00 1.9385E+00 3.9718E-01 H1 2789 1.008000 0.423800 7.2502E+00 1.7891E+00 4.6700E-01 H2 2790 1.008000 0.423800 8.4104E+00 2.8648E+00 6.3015E-02 O6 2791 15.999400 -0.847600 -1.3455E+01 1.1068E+01 1.1804E+01 H1 2792 1.008000 0.423800 -1.4278E+01 1.0930E+01 1.2355E+01 H2 2793 1.008000 0.423800 -1.3000E+01 1.1911E+01 1.2090E+01 O6 2794 15.999400 -0.847600 1.6257E+00 3.3387E+00 -1.3910E+01 H1 2795 1.008000 0.423800 8.6513E-01 3.1102E+00 -1.4518E+01 H2 2796 1.008000 0.423800 2.3972E+00 2.7312E+00 -1.4099E+01 O6 2797 15.999400 -0.847600 1.3805E+00 9.3120E+00 -1.0701E+01 H1 2798 1.008000 0.423800 8.7457E-01 8.4622E+00 -1.0850E+01 H2 2799 1.008000 0.423800 1.3637E+00 9.8603E+00 -1.1537E+01 O6 2800 15.999400 -0.847600 -4.9542E+00 -4.3821E+00 1.7885E+01 H1 2801 1.008000 0.423800 -5.0729E+00 -4.7033E+00 1.8824E+01 H2 2802 1.008000 0.423800 -5.5307E+00 -4.9231E+00 1.7272E+01 O6 2803 15.999400 -0.847600 1.5726E+01 4.0169E+00 4.6305E+00 H1 2804 1.008000 0.423800 1.5085E+01 3.5414E+00 4.0275E+00 H2 2805 1.008000 0.423800 1.6398E+01 3.3655E+00 4.9830E+00 O6 2806 15.999400 -0.847600 1.0914E+01 6.3206E+00 -5.2576E+00 H1 2807 1.008000 0.423800 1.0666E+01 5.4705E+00 -5.7220E+00 H2 2808 1.008000 0.423800 1.1882E+01 6.2922E+00 -5.0054E+00 O6 2809 15.999400 -0.847600 -1.0372E+01 -2.3884E+00 -1.7267E+01 H1 2810 1.008000 0.423800 -9.6504E+00 -2.6152E+00 -1.7921E+01 H2 2811 1.008000 0.423800 -1.0867E+01 -1.5790E+00 -1.7584E+01 O6 2812 15.999400 -0.847600 -1.8789E+01 -5.9241E+00 3.3025E+00 H1 2813 1.008000 0.423800 -1.8161E+01 -5.5754E+00 2.6067E+00 H2 2814 1.008000 0.423800 -1.9477E+01 -5.2285E+00 3.5094E+00 O6 2815 15.999400 -0.847600 -1.8403E+01 1.4641E+01 -1.4119E+01 H1 2816 1.008000 0.423800 -1.7818E+01 1.4598E+01 -1.3309E+01 H2 2817 1.008000 0.423800 -1.7858E+01 1.4445E+01 -1.4934E+01 O6 2818 15.999400 -0.847600 1.4216E+01 5.1962E+00 6.6931E+00 H1 2819 1.008000 0.423800 1.4663E+01 5.2735E+00 7.5846E+00 H2 2820 1.008000 0.423800 1.4762E+01 4.6077E+00 6.0968E+00 O6 2821 15.999400 -0.847600 7.1882E+00 1.3676E+01 -1.4736E+00 H1 2822 1.008000 0.423800 7.7162E+00 1.3188E+01 -7.7829E-01 H2 2823 1.008000 0.423800 6.3059E+00 1.3223E+01 -1.6008E+00 O6 2824 15.999400 -0.847600 -2.1040E-01 -2.9307E+00 -1.0720E+01 H1 2825 1.008000 0.423800 -5.7199E-01 -2.0502E+00 -1.0413E+01 H2 2826 1.008000 0.423800 4.1222E-02 -3.4826E+00 -9.9248E+00 O6 2827 15.999400 -0.847600 8.0539E+00 -1.8588E+01 1.2159E+01 H1 2828 1.008000 0.423800 9.0078E+00 -1.8509E+01 1.2448E+01 H2 2829 1.008000 0.423800 7.7395E+00 -1.7708E+01 1.1803E+01 O6 2830 15.999400 -0.847600 -1.2206E+01 4.7824E+00 3.9602E+00 H1 2831 1.008000 0.423800 -1.1491E+01 4.1846E+00 3.5973E+00 H2 2832 1.008000 0.423800 -1.2061E+01 5.7147E+00 3.6288E+00 O6 2833 15.999400 -0.847600 -1.0683E+01 5.4366E+00 1.0489E+00 H1 2834 1.008000 0.423800 -1.1054E+01 4.5341E+00 1.2683E+00 H2 2835 1.008000 0.423800 -1.1203E+01 6.1379E+00 1.5364E+00 O6 2836 15.999400 -0.847600 4.3523E+00 -1.2747E+01 9.6675E+00 H1 2837 1.008000 0.423800 4.8755E+00 -1.3571E+01 9.8853E+00 H2 2838 1.008000 0.423800 4.9587E+00 -1.1952E+01 9.6877E+00 O6 2839 15.999400 -0.847600 -1.6496E+01 -6.0439E+00 -1.7947E+01 H1 2840 1.008000 0.423800 -1.6179E+01 -5.4425E+00 -1.7213E+01 H2 2841 1.008000 0.423800 -1.7312E+01 -6.5375E+00 -1.7644E+01 O6 2842 15.999400 -0.847600 1.5156E+01 3.7181E+00 -6.0517E-01 H1 2843 1.008000 0.423800 1.5357E+01 4.5549E+00 -9.5702E-02 H2 2844 1.008000 0.423800 1.4186E+01 3.4934E+00 -5.0831E-01 O6 2845 15.999400 -0.847600 1.7898E+01 6.8029E+00 -7.7449E+00 H1 2846 1.008000 0.423800 1.8789E+01 6.3492E+00 -7.7464E+00 H2 2847 1.008000 0.423800 1.7939E+01 7.6205E+00 -8.3192E+00 O6 2848 15.999400 -0.847600 -1.7322E+01 8.6672E+00 1.4905E+01 H1 2849 1.008000 0.423800 -1.7536E+01 9.6117E+00 1.5154E+01 H2 2850 1.008000 0.423800 -1.7566E+01 8.5111E+00 1.3948E+01 O6 2851 15.999400 -0.847600 -1.7370E+01 -8.8502E+00 -1.4901E+01 H1 2852 1.008000 0.423800 -1.7225E+01 -9.7985E+00 -1.5183E+01 H2 2853 1.008000 0.423800 -1.8265E+01 -8.5395E+00 -1.5223E+01 O6 2854 15.999400 -0.847600 -3.0268E+00 9.9853E+00 1.2366E+00 H1 2855 1.008000 0.423800 -3.7008E+00 1.0705E+01 1.0687E+00 H2 2856 1.008000 0.423800 -3.4951E+00 9.1083E+00 1.3437E+00 O6 2857 15.999400 -0.847600 3.5395E+00 -8.7960E+00 5.3936E+00 H1 2858 1.008000 0.423800 2.8512E+00 -8.2977E+00 5.9209E+00 H2 2859 1.008000 0.423800 4.4487E+00 -8.5946E+00 5.7580E+00 O6 2860 15.999400 -0.847600 -1.2073E+00 -9.2436E+00 -1.6225E+01 H1 2861 1.008000 0.423800 -6.4994E-01 -9.1313E+00 -1.5402E+01 H2 2862 1.008000 0.423800 -1.7536E+00 -8.4192E+00 -1.6372E+01 O6 2863 15.999400 -0.847600 9.7169E+00 -8.8334E+00 1.5681E+01 H1 2864 1.008000 0.423800 1.0323E+01 -8.0656E+00 1.5888E+01 H2 2865 1.008000 0.423800 9.8222E+00 -9.0921E+00 1.4721E+01 O6 2866 15.999400 -0.847600 7.7841E+00 -8.4858E+00 9.7657E-01 H1 2867 1.008000 0.423800 8.0200E+00 -8.0100E+00 1.8239E+00 H2 2868 1.008000 0.423800 8.1870E+00 -9.4010E+00 9.8508E-01 O6 2869 15.999400 -0.847600 -1.7405E+01 -1.6261E+01 1.4862E+00 H1 2870 1.008000 0.423800 -1.6609E+01 -1.6692E+01 1.0608E+00 H2 2871 1.008000 0.423800 -1.7534E+01 -1.6633E+01 2.4052E+00 O6 2872 15.999400 -0.847600 1.5312E+01 5.8433E+00 1.1760E+00 H1 2873 1.008000 0.423800 1.4896E+01 6.7226E+00 9.4267E-01 H2 2874 1.008000 0.423800 1.5626E+01 5.8647E+00 2.1251E+00 O6 2875 15.999400 -0.847600 8.7817E+00 1.2829E+01 1.7852E+01 H1 2876 1.008000 0.423800 8.8325E+00 1.3541E+01 1.8553E+01 H2 2877 1.008000 0.423800 8.2414E+00 1.3161E+01 1.7079E+01 O6 2878 15.999400 -0.847600 -7.9552E+00 -3.0059E+00 -1.2592E+01 H1 2879 1.008000 0.423800 -7.5296E+00 -2.1442E+00 -1.2868E+01 H2 2880 1.008000 0.423800 -7.2446E+00 -3.6627E+00 -1.2340E+01 O6 2881 15.999400 -0.847600 -8.9646E+00 -1.1307E+01 1.1022E+01 H1 2882 1.008000 0.423800 -8.9231E+00 -1.1381E+01 1.0025E+01 H2 2883 1.008000 0.423800 -8.8579E+00 -1.0350E+01 1.1290E+01 O6 2884 15.999400 -0.847600 -6.0301E+00 3.3475E+00 1.8289E+01 H1 2885 1.008000 0.423800 -6.5578E+00 3.7467E+00 1.9039E+01 H2 2886 1.008000 0.423800 -5.0654E+00 3.3007E+00 1.8548E+01 O6 2887 15.999400 -0.847600 -2.6829E+00 4.4634E+00 -1.4347E+01 H1 2888 1.008000 0.423800 -3.6692E+00 4.4842E+00 -1.4511E+01 H2 2889 1.008000 0.423800 -2.3372E+00 3.5396E+00 -1.4512E+01 O6 2890 15.999400 -0.847600 9.4724E+00 4.4092E+00 -1.0259E-01 H1 2891 1.008000 0.423800 9.5128E+00 5.2030E+00 5.0434E-01 H2 2892 1.008000 0.423800 9.8263E+00 4.6603E+00 -1.0035E+00 O6 2893 15.999400 -0.847600 -5.7558E+00 -1.1683E+01 -1.2796E+01 H1 2894 1.008000 0.423800 -5.9656E+00 -1.2398E+01 -1.2130E+01 H2 2895 1.008000 0.423800 -5.2649E+00 -1.0939E+01 -1.2343E+01 O6 2896 15.999400 -0.847600 -1.4982E+01 1.3920E+01 6.6746E-02 H1 2897 1.008000 0.423800 -1.4076E+01 1.3570E+01 -1.6875E-01 H2 2898 1.008000 0.423800 -1.5301E+01 1.4534E+01 -6.5531E-01 O6 2899 15.999400 -0.847600 -8.0253E+00 -1.7152E+01 1.4792E+01 H1 2900 1.008000 0.423800 -7.7209E+00 -1.7717E+01 1.4025E+01 H2 2901 1.008000 0.423800 -7.2787E+00 -1.7053E+01 1.5450E+01 O6 2902 15.999400 -0.847600 -1.2136E+01 -1.0264E+01 -4.5065E+00 H1 2903 1.008000 0.423800 -1.2432E+01 -1.0772E+01 -5.3157E+00 H2 2904 1.008000 0.423800 -1.2887E+01 -1.0221E+01 -3.8475E+00 O6 2905 15.999400 -0.847600 -7.0643E+00 1.5235E+01 1.5266E+01 H1 2906 1.008000 0.423800 -6.6947E+00 1.5994E+01 1.5801E+01 H2 2907 1.008000 0.423800 -6.4974E+00 1.4423E+01 1.5405E+01 O6 2908 15.999400 -0.847600 1.9872E+00 1.9048E+01 1.3611E+01 H1 2909 1.008000 0.423800 1.3805E+00 1.9024E+01 1.4406E+01 H2 2910 1.008000 0.423800 2.5989E+00 1.8257E+01 1.3636E+01 O6 2911 15.999400 -0.847600 1.2625E+01 -5.9839E+00 -8.0721E+00 H1 2912 1.008000 0.423800 1.1730E+01 -6.4294E+00 -8.0409E+00 H2 2913 1.008000 0.423800 1.2538E+01 -5.0935E+00 -8.5189E+00 O6 2914 15.999400 -0.847600 -1.6907E+01 5.3326E+00 1.5711E+01 H1 2915 1.008000 0.423800 -1.6412E+01 5.9862E+00 1.5139E+01 H2 2916 1.008000 0.423800 -1.7100E+01 4.5060E+00 1.5182E+01 O6 2917 15.999400 -0.847600 7.7510E+00 -1.7456E+00 -7.1792E+00 H1 2918 1.008000 0.423800 7.8936E+00 -1.8343E+00 -6.1934E+00 H2 2919 1.008000 0.423800 8.2563E+00 -9.5242E-01 -7.5190E+00 O6 2920 15.999400 -0.847600 -9.3341E+00 -7.8724E+00 6.5565E+00 H1 2921 1.008000 0.423800 -9.9619E+00 -8.5427E+00 6.1608E+00 H2 2922 1.008000 0.423800 -8.7929E+00 -8.3070E+00 7.2764E+00 O6 2923 15.999400 -0.847600 -2.7734E+00 -1.8635E+01 7.1282E+00 H1 2924 1.008000 0.423800 -1.9791E+00 -1.9121E+01 7.4922E+00 H2 2925 1.008000 0.423800 -2.5169E+00 -1.7693E+01 6.9117E+00 O6 2926 15.999400 -0.847600 8.0282E+00 3.8221E+00 1.0083E+01 H1 2927 1.008000 0.423800 8.8201E+00 3.2866E+00 1.0377E+01 H2 2928 1.008000 0.423800 7.3126E+00 3.2058E+00 9.7545E+00 O6 2929 15.999400 -0.847600 -1.0383E+01 3.2838E+00 1.1838E+01 H1 2930 1.008000 0.423800 -1.0459E+01 4.0598E+00 1.1212E+01 H2 2931 1.008000 0.423800 -1.0092E+01 2.4730E+00 1.1331E+01 O6 2932 15.999400 -0.847600 1.1490E+01 -6.9890E+00 5.6389E+00 H1 2933 1.008000 0.423800 1.1978E+01 -6.3758E+00 5.0174E+00 H2 2934 1.008000 0.423800 1.2149E+01 -7.5649E+00 6.1235E+00 O6 2935 15.999400 -0.847600 -6.6924E+00 -1.7351E+01 -1.4614E+01 H1 2936 1.008000 0.423800 -6.2140E+00 -1.6484E+01 -1.4472E+01 H2 2937 1.008000 0.423800 -6.0252E+00 -1.8092E+01 -1.4684E+01 O6 2938 15.999400 -0.847600 -1.8779E+01 -7.8669E+00 1.8926E+01 H1 2939 1.008000 0.423800 -1.8296E+01 -7.3211E+00 -1.9486E+01 H2 2940 1.008000 0.423800 -1.8777E+01 -8.8276E+00 1.9204E+01 O6 2941 15.999400 -0.847600 -9.0761E-02 -9.3898E+00 -1.3093E+01 H1 2942 1.008000 0.423800 5.0397E-01 -1.0118E+01 -1.3435E+01 H2 2943 1.008000 0.423800 -8.1837E-01 -9.7885E+00 -1.2535E+01 O6 2944 15.999400 -0.847600 -1.8404E+01 2.1233E+00 -1.6370E+01 H1 2945 1.008000 0.423800 -1.8975E+01 1.6661E+00 -1.7052E+01 H2 2946 1.008000 0.423800 -1.8708E+01 1.8647E+00 -1.5453E+01 O6 2947 15.999400 -0.847600 1.2207E+01 -3.8969E+00 6.6384E+00 H1 2948 1.008000 0.423800 1.2355E+01 -4.7159E+00 6.0841E+00 H2 2949 1.008000 0.423800 1.1452E+01 -3.3659E+00 6.2535E+00 O6 2950 15.999400 -0.847600 1.5033E+01 1.3654E+01 1.6091E+01 H1 2951 1.008000 0.423800 1.5138E+01 1.2660E+01 1.6120E+01 H2 2952 1.008000 0.423800 1.4355E+01 1.3897E+01 1.5398E+01 O6 2953 15.999400 -0.847600 -3.8696E+00 -6.7742E-01 -1.3271E+01 H1 2954 1.008000 0.423800 -3.8899E+00 -1.5682E+00 -1.3725E+01 H2 2955 1.008000 0.423800 -3.2368E+00 -7.1192E-01 -1.2498E+01 O6 2956 15.999400 -0.847600 9.5545E+00 1.1366E+01 4.6249E+00 H1 2957 1.008000 0.423800 9.6279E+00 1.2348E+01 4.4535E+00 H2 2958 1.008000 0.423800 9.4544E+00 1.0883E+01 3.7552E+00 O6 2959 15.999400 -0.847600 6.4934E+00 -1.4801E+01 -8.3538E+00 H1 2960 1.008000 0.423800 6.9178E+00 -1.4112E+01 -8.9410E+00 H2 2961 1.008000 0.423800 7.1941E+00 -1.5231E+01 -7.7845E+00 O6 2962 15.999400 -0.847600 1.8212E+01 -4.8527E+00 5.9783E+00 H1 2963 1.008000 0.423800 1.9004E+01 -5.4382E+00 5.8049E+00 H2 2964 1.008000 0.423800 1.8473E+01 -3.8950E+00 5.8564E+00 O6 2965 15.999400 -0.847600 -1.4122E+01 1.8659E+01 -9.1727E+00 H1 2966 1.008000 0.423800 -1.3465E+01 1.9374E+01 -8.9302E+00 H2 2967 1.008000 0.423800 -1.3750E+01 1.7766E+01 -8.9190E+00 O6 2968 15.999400 -0.847600 7.6395E+00 -2.4457E+00 1.3594E+01 H1 2969 1.008000 0.423800 7.0926E+00 -1.6156E+00 1.3486E+01 H2 2970 1.008000 0.423800 7.7739E+00 -2.6318E+00 1.4567E+01 O6 2971 15.999400 -0.847600 8.3765E-01 1.1615E+01 1.6147E+01 H1 2972 1.008000 0.423800 1.2319E+00 1.2421E+01 1.5707E+01 H2 2973 1.008000 0.423800 1.5609E+00 1.0950E+01 1.6334E+01 O6 2974 15.999400 -0.847600 -1.3490E+01 1.5241E+01 2.0539E+00 H1 2975 1.008000 0.423800 -1.3609E+01 1.6169E+01 1.7028E+00 H2 2976 1.008000 0.423800 -1.3945E+01 1.4593E+01 1.4425E+00 O6 2977 15.999400 -0.847600 1.3548E+00 -5.9165E+00 -5.6944E+00 H1 2978 1.008000 0.423800 1.3874E+00 -5.6614E+00 -6.6608E+00 H2 2979 1.008000 0.423800 4.0186E-01 -6.0122E+00 -5.4069E+00 O6 2980 15.999400 -0.847600 1.4956E+01 1.8943E+00 -6.5362E+00 H1 2981 1.008000 0.423800 1.3968E+01 1.9254E+00 -6.3834E+00 H2 2982 1.008000 0.423800 1.5329E+01 1.0568E+00 -6.1368E+00 O6 2983 15.999400 -0.847600 8.9300E+00 7.1756E-01 -3.0187E+00 H1 2984 1.008000 0.423800 7.9361E+00 7.9258E-01 -3.0999E+00 H2 2985 1.008000 0.423800 9.1682E+00 4.3757E-01 -2.0887E+00 O6 2986 15.999400 -0.847600 -6.1589E+00 -1.3902E+00 1.2867E+01 H1 2987 1.008000 0.423800 -6.7688E+00 -2.1783E+00 1.2950E+01 H2 2988 1.008000 0.423800 -6.5116E+00 -7.6825E-01 1.2168E+01 O6 2989 15.999400 -0.847600 1.3506E+01 1.1916E+01 -2.7282E+00 H1 2990 1.008000 0.423800 1.3796E+01 1.2852E+01 -2.9308E+00 H2 2991 1.008000 0.423800 1.2682E+01 1.1702E+01 -3.2525E+00 O6 2992 15.999400 -0.847600 2.6782E+00 1.8260E+01 -1.8782E+01 H1 2993 1.008000 0.423800 1.9743E+00 1.7681E+01 -1.8371E+01 H2 2994 1.008000 0.423800 2.3411E+00 1.9200E+01 -1.8847E+01 O6 2995 15.999400 -0.847600 1.2707E+01 -1.2779E+01 -1.7370E+01 H1 2996 1.008000 0.423800 1.2447E+01 -1.2869E+01 -1.8331E+01 H2 2997 1.008000 0.423800 1.3445E+01 -1.3423E+01 -1.7163E+01 O6 2998 15.999400 -0.847600 -1.9425E+01 4.0892E+00 4.3048E+00 H1 2999 1.008000 0.423800 1.9476E+01 4.8034E+00 3.6328E+00 H2 3000 1.008000 0.423800 1.8832E+01 3.5887E+00 4.5137E+00 O6 3001 15.999400 -0.847600 -1.2081E+00 1.5151E+01 -9.5171E+00 H1 3002 1.008000 0.423800 -1.7546E+00 1.4842E+01 -1.0295E+01 H2 3003 1.008000 0.423800 -1.7933E+00 1.5233E+01 -8.7103E+00 O6 3004 15.999400 -0.847600 1.5179E+01 1.3348E+01 1.1820E+01 H1 3005 1.008000 0.423800 1.4741E+01 1.2579E+01 1.1355E+01 H2 3006 1.008000 0.423800 1.5536E+01 1.3988E+01 1.1140E+01 O6 3007 15.999400 -0.847600 1.9850E+00 -3.2940E-01 -1.0978E+01 H1 3008 1.008000 0.423800 2.0602E+00 -4.4835E-01 -9.9875E+00 H2 3009 1.008000 0.423800 1.7018E+00 -1.1922E+00 -1.1396E+01 O6 3010 15.999400 -0.847600 -1.8446E+01 -1.2876E+01 1.6827E+01 H1 3011 1.008000 0.423800 -1.7910E+01 -1.3679E+01 1.6564E+01 H2 3012 1.008000 0.423800 -1.7844E+01 -1.2080E+01 1.6890E+01 O6 3013 15.999400 -0.847600 5.4085E+00 -1.7421E+01 -5.1382E+00 H1 3014 1.008000 0.423800 5.4744E+00 -1.7634E+01 -4.1634E+00 H2 3015 1.008000 0.423800 4.4469E+00 -1.7317E+01 -5.3924E+00 O6 3016 15.999400 -0.847600 -1.3454E+00 -6.0677E+00 1.4705E+01 H1 3017 1.008000 0.423800 -9.5363E-01 -5.1846E+00 1.4447E+01 H2 3018 1.008000 0.423800 -6.4855E-01 -6.6206E+00 1.5162E+01 O6 3019 15.999400 -0.847600 -1.1612E+01 8.5919E+00 9.4170E+00 H1 3020 1.008000 0.423800 -1.0883E+01 8.0464E+00 9.8298E+00 H2 3021 1.008000 0.423800 -1.2349E+01 8.7194E+00 1.0081E+01 O6 3022 15.999400 -0.847600 1.1084E+01 -1.2562E+01 1.9201E+01 H1 3023 1.008000 0.423800 1.0688E+01 -1.3296E+01 -1.9346E+01 H2 3024 1.008000 0.423800 1.0492E+01 -1.2377E+01 1.8416E+01 O6 3025 15.999400 -0.847600 -9.2290E+00 -2.4309E+00 -3.5066E+00 H1 3026 1.008000 0.423800 -9.5848E+00 -2.3407E+00 -2.5763E+00 H2 3027 1.008000 0.423800 -9.9706E+00 -2.2885E+00 -4.1622E+00 O6 3028 15.999400 -0.847600 -1.1332E+01 -7.9774E+00 -5.4952E+00 H1 3029 1.008000 0.423800 -1.1759E+01 -8.8576E+00 -5.2881E+00 H2 3030 1.008000 0.423800 -1.0844E+01 -7.6460E+00 -4.6880E+00 O6 3031 15.999400 -0.847600 -1.6589E+01 -1.1727E+01 8.5448E+00 H1 3032 1.008000 0.423800 -1.7256E+01 -1.0994E+01 8.6781E+00 H2 3033 1.008000 0.423800 -1.6488E+01 -1.1913E+01 7.5673E+00 O6 3034 15.999400 -0.847600 8.9578E+00 4.2209E+00 -1.9027E+01 H1 3035 1.008000 0.423800 9.2406E+00 3.7426E+00 -1.8196E+01 H2 3036 1.008000 0.423800 7.9597E+00 4.2743E+00 -1.9058E+01 O6 3037 15.999400 -0.847600 5.9138E+00 -6.6628E+00 -2.8474E+00 H1 3038 1.008000 0.423800 6.6086E+00 -6.7653E+00 -3.5593E+00 H2 3039 1.008000 0.423800 6.3016E+00 -6.1633E+00 -2.0728E+00 O6 3040 15.999400 -0.847600 -1.6238E+01 -1.0766E+01 1.3924E+01 H1 3041 1.008000 0.423800 -1.5680E+01 -1.1137E+01 1.3182E+01 H2 3042 1.008000 0.423800 -1.5952E+01 -9.8274E+00 1.4119E+01 O6 3043 15.999400 -0.847600 1.5480E+01 1.9405E+01 -1.2651E-01 H1 3044 1.008000 0.423800 1.5650E+01 -1.9404E+01 8.1580E-01 H2 3045 1.008000 0.423800 1.5627E+01 -1.8919E+01 -7.4333E-01 O6 3046 15.999400 -0.847600 3.3096E+00 7.8590E-01 1.3780E+01 H1 3047 1.008000 0.423800 2.4213E+00 3.7320E-01 1.3982E+01 H2 3048 1.008000 0.423800 3.5404E+00 1.4456E+00 1.4496E+01 O6 3049 15.999400 -0.847600 1.8494E+00 -1.5580E+01 4.0969E+00 H1 3050 1.008000 0.423800 1.2490E+00 -1.6054E+01 4.7411E+00 H2 3051 1.008000 0.423800 2.0486E+00 -1.4662E+01 4.4404E+00 O6 3052 15.999400 -0.847600 1.6520E+01 -3.3697E+00 -2.8361E+00 H1 3053 1.008000 0.423800 1.6387E+01 -3.3840E+00 -1.8451E+00 H2 3054 1.008000 0.423800 1.7497E+01 -3.3158E+00 -3.0405E+00 O6 3055 15.999400 -0.847600 -8.3133E+00 -3.2965E+00 -1.8772E+01 H1 3056 1.008000 0.423800 -8.4506E+00 -3.6753E+00 1.9411E+01 H2 3057 1.008000 0.423800 -7.4251E+00 -2.8389E+00 -1.8730E+01 O6 3058 15.999400 -0.847600 1.0905E+01 -9.6585E+00 4.4425E+00 H1 3059 1.008000 0.423800 1.1218E+01 -8.7892E+00 4.8255E+00 H2 3060 1.008000 0.423800 1.1456E+01 -9.8863E+00 3.6397E+00 O6 3061 15.999400 -0.847600 1.3094E+01 1.1343E+01 1.4976E+01 H1 3062 1.008000 0.423800 1.2215E+01 1.0926E+01 1.4747E+01 H2 3063 1.008000 0.423800 1.3805E+01 1.0639E+01 1.4982E+01 O6 3064 15.999400 -0.847600 -1.6198E+00 -1.0766E+01 1.8223E+01 H1 3065 1.008000 0.423800 -1.8457E+00 -1.1732E+01 1.8094E+01 H2 3066 1.008000 0.423800 -1.2956E+00 -1.0623E+01 1.9158E+01 O6 3067 15.999400 -0.847600 7.3066E-01 1.7423E+01 2.2143E+00 H1 3068 1.008000 0.423800 1.2610E+00 1.7319E+01 3.0556E+00 H2 3069 1.008000 0.423800 1.2902E+00 1.7879E+01 1.5222E+00 O6 3070 15.999400 -0.847600 1.8786E+01 1.6557E+01 -1.4750E+01 H1 3071 1.008000 0.423800 -1.9545E+01 1.5921E+01 -1.4666E+01 H2 3072 1.008000 0.423800 1.8188E+01 1.6262E+01 -1.5495E+01 O6 3073 15.999400 -0.847600 -6.3453E+00 1.7724E+01 9.5088E+00 H1 3074 1.008000 0.423800 -5.9655E+00 1.8561E+01 9.1147E+00 H2 3075 1.008000 0.423800 -5.8812E+00 1.6930E+01 9.1157E+00 O6 3076 15.999400 -0.847600 -2.3419E+00 -1.9488E+01 1.2043E+01 H1 3077 1.008000 0.423800 -2.5554E+00 1.8978E+01 1.1298E+01 H2 3078 1.008000 0.423800 -3.1180E+00 -1.9440E+01 1.2672E+01 O6 3079 15.999400 -0.847600 1.6698E+01 1.2490E+01 7.0996E+00 H1 3080 1.008000 0.423800 1.7661E+01 1.2584E+01 6.8456E+00 H2 3081 1.008000 0.423800 1.6196E+01 1.3304E+01 6.8100E+00 O6 3082 15.999400 -0.847600 -1.3695E+01 -1.4972E+01 -4.9416E+00 H1 3083 1.008000 0.423800 -1.3253E+01 -1.5590E+01 -4.2911E+00 H2 3084 1.008000 0.423800 -1.3927E+01 -1.4115E+01 -4.4816E+00 O6 3085 15.999400 -0.847600 1.6283E+01 1.1729E+01 3.1407E+00 H1 3086 1.008000 0.423800 1.5830E+01 1.0897E+01 2.8217E+00 H2 3087 1.008000 0.423800 1.5601E+01 1.2357E+01 3.5154E+00 O6 3088 15.999400 -0.847600 -2.6556E+00 5.3453E+00 4.1008E+00 H1 3089 1.008000 0.423800 -2.1232E+00 4.9668E+00 3.3437E+00 H2 3090 1.008000 0.423800 -2.0776E+00 5.4120E+00 4.9141E+00 O6 3091 15.999400 -0.847600 -6.8714E-01 8.3596E+00 1.3424E+01 H1 3092 1.008000 0.423800 -1.3593E-01 7.6367E+00 1.3007E+01 H2 3093 1.008000 0.423800 -1.6012E-01 9.2091E+00 1.3447E+01 O6 3094 15.999400 -0.847600 -8.0533E+00 -2.1771E+00 6.9415E+00 H1 3095 1.008000 0.423800 -8.3050E+00 -3.1441E+00 6.9806E+00 H2 3096 1.008000 0.423800 -7.4608E+00 -1.9553E+00 7.7159E+00 O6 3097 15.999400 -0.847600 -1.8668E+01 8.9315E-01 -3.4793E+00 H1 3098 1.008000 0.423800 -1.8177E+01 1.7346E+00 -3.2545E+00 H2 3099 1.008000 0.423800 1.9472E+01 1.1075E+00 -3.6705E+00 O6 3100 15.999400 -0.847600 1.6374E+01 -8.9914E-01 -1.8699E+01 H1 3101 1.008000 0.423800 1.6327E+01 -8.7685E-02 -1.8117E+01 H2 3102 1.008000 0.423800 1.5875E+01 -7.2862E-01 1.9549E+01 O6 3103 15.999400 -0.847600 -5.5204E+00 1.2825E+01 1.8459E+01 H1 3104 1.008000 0.423800 -4.8073E+00 1.2581E+01 1.9116E+01 H2 3105 1.008000 0.423800 -5.9552E+00 1.1992E+01 1.8115E+01 O6 3106 15.999400 -0.847600 -2.9783E+00 1.6189E+01 -3.7136E+00 H1 3107 1.008000 0.423800 -2.5019E+00 1.7037E+01 -3.9446E+00 H2 3108 1.008000 0.423800 -2.3179E+00 1.5516E+01 -3.3797E+00 O6 3109 15.999400 -0.847600 9.6734E+00 -1.4416E+01 8.1647E-01 H1 3110 1.008000 0.423800 9.7692E+00 -1.5172E+01 1.4640E+00 H2 3111 1.008000 0.423800 1.0278E+01 -1.3667E+01 1.0866E+00 O6 3112 15.999400 -0.847600 -8.0460E+00 -4.3101E+00 -9.2758E+00 H1 3113 1.008000 0.423800 -8.8666E+00 -3.7530E+00 -9.1485E+00 H2 3114 1.008000 0.423800 -7.6555E+00 -4.5370E+00 -8.3837E+00 O6 3115 15.999400 -0.847600 -1.3306E+01 1.6506E+01 1.7102E+01 H1 3116 1.008000 0.423800 -1.3807E+01 1.7266E+01 1.7516E+01 H2 3117 1.008000 0.423800 -1.3246E+01 1.6645E+01 1.6113E+01 O6 3118 15.999400 -0.847600 4.2611E+00 1.8723E+01 -1.1523E+00 H1 3119 1.008000 0.423800 3.4682E+00 1.8118E+01 -1.2300E+00 H2 3120 1.008000 0.423800 4.3588E+00 1.9024E+01 -2.0373E-01 O6 3121 15.999400 -0.847600 2.2056E+00 3.8398E+00 -9.3254E-02 H1 3122 1.008000 0.423800 2.0719E+00 4.3969E+00 7.2638E-01 H2 3123 1.008000 0.423800 1.6408E+00 3.0169E+00 -3.2601E-02 O6 3124 15.999400 -0.847600 1.9303E+01 7.4027E+00 1.4526E+01 H1 3125 1.008000 0.423800 1.9277E+01 8.0215E+00 1.3741E+01 H2 3126 1.008000 0.423800 -1.9032E+01 7.6526E+00 1.5123E+01 O6 3127 15.999400 -0.847600 -3.0930E+00 -1.4244E+01 1.5453E+01 H1 3128 1.008000 0.423800 -2.4452E+00 -1.4688E+01 1.4834E+01 H2 3129 1.008000 0.423800 -2.6191E+00 -1.3967E+01 1.6288E+01 O6 3130 15.999400 -0.847600 1.2748E+01 1.7761E+01 2.2750E+00 H1 3131 1.008000 0.423800 1.2610E+01 1.7270E+01 1.4147E+00 H2 3132 1.008000 0.423800 1.3694E+01 1.7645E+01 2.5771E+00 O6 3133 15.999400 -0.847600 6.7884E+00 1.1811E-01 1.1026E+01 H1 3134 1.008000 0.423800 7.1136E+00 3.9814E-01 1.1929E+01 H2 3135 1.008000 0.423800 6.9946E+00 -8.4984E-01 1.0882E+01 O6 3136 15.999400 -0.847600 -9.9694E+00 -1.3804E+01 -1.0786E+01 H1 3137 1.008000 0.423800 -1.0004E+01 -1.4216E+01 -1.1697E+01 H2 3138 1.008000 0.423800 -1.0125E+01 -1.2819E+01 -1.0859E+01 O6 3139 15.999400 -0.847600 3.3149E+00 -9.8508E+00 -8.3210E+00 H1 3140 1.008000 0.423800 4.2411E+00 -1.0155E+01 -8.5439E+00 H2 3141 1.008000 0.423800 2.6507E+00 -1.0467E+01 -8.7448E+00 O6 3142 15.999400 -0.847600 1.2335E+01 -5.6405E+00 1.4162E+01 H1 3143 1.008000 0.423800 1.2779E+01 -4.8086E+00 1.4495E+01 H2 3144 1.008000 0.423800 1.1850E+01 -5.4416E+00 1.3310E+01 O6 3145 15.999400 -0.847600 -1.3183E+01 5.3132E+00 9.1902E+00 H1 3146 1.008000 0.423800 -1.3230E+01 5.5300E+00 8.2151E+00 H2 3147 1.008000 0.423800 -1.4101E+01 5.3562E+00 9.5854E+00 O6 3148 15.999400 -0.847600 -1.6482E+01 -5.5550E-01 -1.7625E+01 H1 3149 1.008000 0.423800 -1.5755E+01 -1.2336E+00 -1.7519E+01 H2 3150 1.008000 0.423800 -1.6976E+01 -4.5852E-01 -1.6761E+01 O6 3151 15.999400 -0.847600 -2.0271E+00 -1.5127E+01 -6.3255E-01 H1 3152 1.008000 0.423800 -2.3622E+00 -1.4490E+01 -1.3273E+00 H2 3153 1.008000 0.423800 -1.5879E+00 -1.4614E+01 1.0507E-01 O6 3154 15.999400 -0.847600 -1.8513E+00 1.8835E+01 3.0417E+00 H1 3155 1.008000 0.423800 -9.6700E-01 1.9051E+01 2.6277E+00 H2 3156 1.008000 0.423800 -2.3629E+00 1.8226E+01 2.4359E+00 O6 3157 15.999400 -0.847600 2.4204E+00 7.3145E-01 -2.4046E+00 H1 3158 1.008000 0.423800 2.7513E+00 7.1192E-01 -1.4611E+00 H2 3159 1.008000 0.423800 1.5813E+00 1.2732E+00 -2.4523E+00 O6 3160 15.999400 -0.847600 -1.7912E+00 1.5609E+01 4.2798E+00 H1 3161 1.008000 0.423800 -2.7634E+00 1.5669E+01 4.0530E+00 H2 3162 1.008000 0.423800 -1.5165E+00 1.6427E+01 4.7851E+00 O6 3163 15.999400 -0.847600 -1.6669E+01 -5.4575E+00 1.7110E+00 H1 3164 1.008000 0.423800 -1.6195E+01 -4.8205E+00 1.1028E+00 H2 3165 1.008000 0.423800 -1.6134E+01 -5.5796E+00 2.5473E+00 O6 3166 15.999400 -0.847600 6.1192E-01 -7.8026E+00 -1.1037E+01 H1 3167 1.008000 0.423800 3.2063E-01 -8.5031E+00 -1.1689E+01 H2 3168 1.008000 0.423800 1.3442E+00 -7.2550E+00 -1.1442E+01 O6 3169 15.999400 -0.847600 -4.3486E+00 3.8870E+00 5.8695E+00 H1 3170 1.008000 0.423800 -4.1726E+00 4.2151E+00 6.7976E+00 H2 3171 1.008000 0.423800 -3.9886E+00 4.5461E+00 5.2091E+00 O6 3172 15.999400 -0.847600 1.0900E+01 -6.0068E+00 8.2331E-01 H1 3173 1.008000 0.423800 1.1748E+01 -5.5013E+00 9.8643E-01 H2 3174 1.008000 0.423800 1.0171E+01 -5.3659E+00 5.8543E-01 O6 3175 15.999400 -0.847600 6.3563E+00 7.6297E+00 -1.3805E+01 H1 3176 1.008000 0.423800 6.4551E+00 8.1152E+00 -1.4673E+01 H2 3177 1.008000 0.423800 6.7450E+00 8.1827E+00 -1.3068E+01 O6 3178 15.999400 -0.847600 1.8514E+01 1.0569E+01 -1.5004E+01 H1 3179 1.008000 0.423800 1.7988E+01 1.0001E+01 -1.4371E+01 H2 3180 1.008000 0.423800 1.7989E+01 1.1390E+01 -1.5229E+01 O6 3181 15.999400 -0.847600 -1.6627E+01 -4.2426E+00 -3.3861E+00 H1 3182 1.008000 0.423800 -1.5701E+01 -3.8651E+00 -3.3808E+00 H2 3183 1.008000 0.423800 -1.6698E+01 -4.9612E+00 -2.6944E+00 O6 3184 15.999400 -0.847600 1.2478E+01 1.1972E+01 2.4426E-01 H1 3185 1.008000 0.423800 1.3039E+01 1.1537E+01 -4.6004E-01 H2 3186 1.008000 0.423800 1.1549E+01 1.2102E+01 -1.0269E-01 O6 3187 15.999400 -0.847600 1.7138E+01 1.1351E+01 9.4848E+00 H1 3188 1.008000 0.423800 1.7183E+01 1.1632E+01 8.5260E+00 H2 3189 1.008000 0.423800 1.7019E+01 1.0359E+01 9.5365E+00 O6 3190 15.999400 -0.847600 1.5580E+01 -1.3091E+01 -1.6769E+01 H1 3191 1.008000 0.423800 1.5587E+01 -1.2208E+01 -1.7239E+01 H2 3192 1.008000 0.423800 1.6440E+01 -1.3570E+01 -1.6947E+01 O6 3193 15.999400 -0.847600 1.9533E+01 -1.9030E+01 1.7063E+01 H1 3194 1.008000 0.423800 -1.8627E+01 -1.9050E+01 1.7411E+01 H2 3195 1.008000 0.423800 1.9120E+01 -1.8143E+01 1.7269E+01 O6 3196 15.999400 -0.847600 1.4754E+01 -1.6744E+00 1.1336E+01 H1 3197 1.008000 0.423800 1.5082E+01 -1.2288E+00 1.2170E+01 H2 3198 1.008000 0.423800 1.5346E+01 -2.4511E+00 1.1120E+01 O6 3199 15.999400 -0.847600 6.9085E+00 -7.1911E+00 1.2369E+01 H1 3200 1.008000 0.423800 6.6410E+00 -6.3668E+00 1.1870E+01 H2 3201 1.008000 0.423800 6.7315E+00 -7.0623E+00 1.3345E+01 O6 3202 15.999400 -0.847600 1.1312E+01 -1.1872E+01 1.5385E+01 H1 3203 1.008000 0.423800 1.0656E+01 -1.1396E+01 1.5971E+01 H2 3204 1.008000 0.423800 1.0820E+01 -1.2425E+01 1.4713E+01 O6 3205 15.999400 -0.847600 -1.5494E+01 6.8692E+00 1.3822E+01 H1 3206 1.008000 0.423800 -1.4587E+01 7.2680E+00 1.3954E+01 H2 3207 1.008000 0.423800 -1.6193E+01 7.5494E+00 1.4044E+01 O6 3208 15.999400 -0.847600 1.7132E+00 1.4296E+01 5.0543E+00 H1 3209 1.008000 0.423800 2.1494E+00 1.4895E+01 5.7255E+00 H2 3210 1.008000 0.423800 1.8129E+00 1.4690E+01 4.1408E+00 O6 3211 15.999400 -0.847600 -1.5474E+01 1.3222E+01 -7.8934E+00 H1 3212 1.008000 0.423800 -1.5589E+01 1.2282E+01 -7.5727E+00 H2 3213 1.008000 0.423800 -1.5143E+01 1.3793E+01 -7.1419E+00 O6 3214 15.999400 -0.847600 -1.5117E+01 -9.2683E+00 -1.5032E+00 H1 3215 1.008000 0.423800 -1.5354E+01 -8.7331E+00 -6.9228E-01 H2 3216 1.008000 0.423800 -1.4162E+01 -9.5580E+00 -1.4442E+00 O6 3217 15.999400 -0.847600 -1.2564E+01 -1.9268E+00 8.0306E+00 H1 3218 1.008000 0.423800 -1.2076E+01 -1.4218E+00 8.7424E+00 H2 3219 1.008000 0.423800 -1.3488E+01 -1.5573E+00 7.9342E+00 O6 3220 15.999400 -0.847600 5.2744E+00 1.3063E+01 2.4016E+00 H1 3221 1.008000 0.423800 4.3663E+00 1.3399E+01 2.1516E+00 H2 3222 1.008000 0.423800 5.1896E+00 1.2168E+01 2.8390E+00 O6 3223 15.999400 -0.847600 -1.5157E+01 -1.3114E+01 -8.8671E+00 H1 3224 1.008000 0.423800 -1.4611E+01 -1.3951E+01 -8.8406E+00 H2 3225 1.008000 0.423800 -1.5309E+01 -1.2845E+01 -9.8182E+00 O6 3226 15.999400 -0.847600 2.7967E+00 1.4607E+01 1.1840E+01 H1 3227 1.008000 0.423800 3.3691E+00 1.3879E+01 1.1462E+01 H2 3228 1.008000 0.423800 3.2759E+00 1.5481E+01 1.1764E+01 O6 3229 15.999400 -0.847600 6.2311E+00 -2.2698E+00 -1.1401E+01 H1 3230 1.008000 0.423800 6.9982E+00 -2.6833E+00 -1.0910E+01 H2 3231 1.008000 0.423800 6.1203E+00 -1.3205E+00 -1.1107E+01 O6 3232 15.999400 -0.847600 1.8612E+01 2.2618E-01 1.1312E+01 H1 3233 1.008000 0.423800 1.9103E+01 2.5339E-01 1.0441E+01 H2 3234 1.008000 0.423800 1.8714E+01 -6.7952E-01 1.1724E+01 O6 3235 15.999400 -0.847600 1.5025E+01 9.9144E+00 -1.8765E+00 H1 3236 1.008000 0.423800 1.5990E+01 9.9730E+00 -2.1341E+00 H2 3237 1.008000 0.423800 1.4539E+01 1.0717E+01 -2.2216E+00 O6 3238 15.999400 -0.847600 -1.2666E+01 1.8716E+01 -5.4502E+00 H1 3239 1.008000 0.423800 -1.3248E+01 1.7987E+01 -5.8097E+00 H2 3240 1.008000 0.423800 -1.2942E+01 -1.9507E+01 -5.8501E+00 O6 3241 15.999400 -0.847600 1.6913E+01 1.0644E+01 -1.1095E+01 H1 3242 1.008000 0.423800 1.7433E+01 1.1259E+01 -1.1687E+01 H2 3243 1.008000 0.423800 1.6218E+01 1.1166E+01 -1.0600E+01 O6 3244 15.999400 -0.847600 -1.3108E+01 -1.7604E+01 -1.6396E+01 H1 3245 1.008000 0.423800 -1.3864E+01 -1.8219E+01 -1.6619E+01 H2 3246 1.008000 0.423800 -1.2956E+01 -1.7608E+01 -1.5407E+01 O6 3247 15.999400 -0.847600 -3.4041E+00 -1.2657E+01 9.7758E+00 H1 3248 1.008000 0.423800 -4.3171E+00 -1.2556E+01 1.0171E+01 H2 3249 1.008000 0.423800 -3.1465E+00 -1.3624E+01 9.7759E+00 O6 3250 15.999400 -0.847600 -4.2830E+00 1.1285E+01 3.9431E+00 H1 3251 1.008000 0.423800 -4.9396E+00 1.1785E+01 4.5074E+00 H2 3252 1.008000 0.423800 -4.7753E+00 1.0713E+01 3.2867E+00 O6 3253 15.999400 -0.847600 1.9163E+01 1.8679E+01 -3.6940E+00 H1 3254 1.008000 0.423800 1.9284E+01 1.8785E+01 -2.7071E+00 H2 3255 1.008000 0.423800 1.9112E+01 -1.9517E+01 -4.1224E+00 O6 3256 15.999400 -0.847600 -1.9435E+01 5.5263E-01 8.8809E+00 H1 3257 1.008000 0.423800 1.9466E+01 -2.2979E-01 8.2899E+00 H2 3258 1.008000 0.423800 -1.8445E+01 6.7806E-01 8.9496E+00 O6 3259 15.999400 -0.847600 -1.2833E+01 1.3650E+01 1.3327E+01 H1 3260 1.008000 0.423800 -1.2902E+01 1.3448E+01 1.4304E+01 H2 3261 1.008000 0.423800 -1.1936E+01 1.4045E+01 1.3131E+01 O6 3262 15.999400 -0.847600 -4.4620E+00 -1.6406E+01 1.3214E+01 H1 3263 1.008000 0.423800 -4.6404E+00 -1.7273E+01 1.3681E+01 H2 3264 1.008000 0.423800 -4.3009E+00 -1.5689E+01 1.3893E+01 O6 3265 15.999400 -0.847600 -4.5052E+00 1.8612E+00 -1.5036E+00 H1 3266 1.008000 0.423800 -4.6931E+00 1.0492E+00 -2.0562E+00 H2 3267 1.008000 0.423800 -4.6182E+00 2.6804E+00 -2.0658E+00 O6 3268 15.999400 -0.847600 1.0424E+01 -1.1248E+01 9.1915E+00 H1 3269 1.008000 0.423800 1.1158E+01 -1.1335E+01 8.5187E+00 H2 3270 1.008000 0.423800 1.0107E+01 -1.0300E+01 9.2175E+00 O6 3271 15.999400 -0.847600 -7.7009E+00 -5.7933E+00 -1.7717E+01 H1 3272 1.008000 0.423800 -8.0967E+00 -4.9427E+00 -1.8063E+01 H2 3273 1.008000 0.423800 -7.7947E+00 -5.8237E+00 -1.6722E+01 O6 3274 15.999400 -0.847600 -4.5913E+00 -8.7742E+00 1.3460E+01 H1 3275 1.008000 0.423800 -5.2845E+00 -8.3661E+00 1.2866E+01 H2 3276 1.008000 0.423800 -4.5194E+00 -8.2414E+00 1.4303E+01 O6 3277 15.999400 -0.847600 1.4279E+01 -1.8845E+01 -1.7979E+01 H1 3278 1.008000 0.423800 1.4560E+01 1.9356E+01 -1.7639E+01 H2 3279 1.008000 0.423800 1.3570E+01 -1.8469E+01 -1.7382E+01 O6 3280 15.999400 -0.847600 -5.3410E+00 4.9953E-01 -8.6330E+00 H1 3281 1.008000 0.423800 -5.4988E+00 -3.5638E-01 -9.1255E+00 H2 3282 1.008000 0.423800 -4.8511E+00 3.0907E-01 -7.7823E+00 O6 3283 15.999400 -0.847600 -1.2584E+01 2.6478E+00 8.4929E+00 H1 3284 1.008000 0.423800 -1.3071E+01 2.3594E+00 7.6685E+00 H2 3285 1.008000 0.423800 -1.2839E+01 3.5876E+00 8.7195E+00 O6 3286 15.999400 -0.847600 1.2810E+01 -5.7185E+00 -1.5276E+01 H1 3287 1.008000 0.423800 1.2639E+01 -6.4838E+00 -1.4656E+01 H2 3288 1.008000 0.423800 1.2953E+01 -6.0664E+00 -1.6203E+01 O6 3289 15.999400 -0.847600 -5.9566E+00 -1.7113E+01 1.3002E+00 H1 3290 1.008000 0.423800 -6.1494E+00 -1.8068E+01 1.0754E+00 H2 3291 1.008000 0.423800 -5.2178E+00 -1.7072E+01 1.9729E+00 O6 3292 15.999400 -0.847600 4.2690E+00 5.1075E+00 1.2286E+01 H1 3293 1.008000 0.423800 4.0373E+00 5.4478E+00 1.3198E+01 H2 3294 1.008000 0.423800 5.2622E+00 5.0246E+00 1.2204E+01 O6 3295 15.999400 -0.847600 -1.0848E+01 9.0311E+00 1.8547E+01 H1 3296 1.008000 0.423800 -1.0535E+01 9.8914E+00 1.8145E+01 H2 3297 1.008000 0.423800 -1.1315E+01 9.2178E+00 1.9412E+01 O6 3298 15.999400 -0.847600 -1.4256E+01 -1.2986E+00 1.2817E+00 H1 3299 1.008000 0.423800 -1.4748E+01 -8.5565E-01 2.0308E+00 H2 3300 1.008000 0.423800 -1.3491E+01 -1.8259E+00 1.6515E+00 O6 3301 15.999400 -0.847600 -1.3661E+01 -5.9512E+00 -1.5399E+01 H1 3302 1.008000 0.423800 -1.4628E+01 -5.7347E+00 -1.5531E+01 H2 3303 1.008000 0.423800 -1.3307E+01 -6.4036E+00 -1.6218E+01 O6 3304 15.999400 -0.847600 -1.1243E+01 -9.5835E+00 5.8336E+00 H1 3305 1.008000 0.423800 -1.2224E+01 -9.4540E+00 5.6889E+00 H2 3306 1.008000 0.423800 -1.1098E+01 -1.0161E+01 6.6373E+00 O6 3307 15.999400 -0.847600 3.2764E-01 9.7229E+00 6.5422E+00 H1 3308 1.008000 0.423800 -5.2477E-01 9.9762E+00 6.0847E+00 H2 3309 1.008000 0.423800 9.5224E-01 1.0504E+01 6.5393E+00 O6 3310 15.999400 -0.847600 -6.0224E+00 -1.3402E+00 4.9987E+00 H1 3311 1.008000 0.423800 -6.1850E+00 -1.4915E+00 4.0237E+00 H2 3312 1.008000 0.423800 -6.8756E+00 -1.4722E+00 5.5033E+00 O6 3313 15.999400 -0.847600 8.5004E+00 1.2561E+01 8.9058E+00 H1 3314 1.008000 0.423800 8.3214E+00 1.1640E+01 9.2518E+00 H2 3315 1.008000 0.423800 8.9864E+00 1.2501E+01 8.0339E+00 O6 3316 15.999400 -0.847600 -8.0142E+00 -3.1290E+00 1.3565E+01 H1 3317 1.008000 0.423800 -8.9062E+00 -3.4271E+00 1.3225E+01 H2 3318 1.008000 0.423800 -7.8470E+00 -3.5353E+00 1.4463E+01 O6 3319 15.999400 -0.847600 -3.4779E+00 -1.7341E+01 1.6224E+01 H1 3320 1.008000 0.423800 -2.7645E+00 -1.6669E+01 1.6421E+01 H2 3321 1.008000 0.423800 -3.0605E+00 -1.8239E+01 1.6087E+01 O6 3322 15.999400 -0.847600 3.9436E+00 -5.6321E+00 -8.8342E+00 H1 3323 1.008000 0.423800 3.1419E+00 -6.2048E+00 -8.6629E+00 H2 3324 1.008000 0.423800 4.6886E+00 -5.9118E+00 -8.2286E+00 O6 3325 15.999400 -0.847600 1.1878E+01 -5.2841E+00 -1.1087E+01 H1 3326 1.008000 0.423800 1.1437E+01 -4.6157E+00 -1.0487E+01 H2 3327 1.008000 0.423800 1.1190E+01 -5.9147E+00 -1.1446E+01 O6 3328 15.999400 -0.847600 -1.3761E+01 1.5809E+01 -1.5034E+01 H1 3329 1.008000 0.423800 -1.3491E+01 1.6160E+01 -1.5930E+01 H2 3330 1.008000 0.423800 -1.4159E+01 1.4898E+01 -1.5139E+01 O6 3331 15.999400 -0.847600 -5.7585E+00 -2.4722E+00 -1.9064E+01 H1 3332 1.008000 0.423800 -4.9520E+00 -3.0552E+00 -1.8965E+01 H2 3333 1.008000 0.423800 -5.8740E+00 -2.2237E+00 1.9072E+01 O6 3334 15.999400 -0.847600 -1.6075E+00 6.8376E-01 1.6514E+01 H1 3335 1.008000 0.423800 -2.0768E+00 4.1107E-01 1.7354E+01 H2 3336 1.008000 0.423800 -1.0579E+00 1.5005E+00 1.6690E+01 O6 3337 15.999400 -0.847600 -6.3907E-02 -6.6498E+00 1.8744E+01 H1 3338 1.008000 0.423800 2.8750E-01 -6.1217E+00 1.9517E+01 H2 3339 1.008000 0.423800 -1.0427E+00 -6.4746E+00 1.8638E+01 O6 3340 15.999400 -0.847600 7.7456E+00 9.6020E-01 -1.7682E+01 H1 3341 1.008000 0.423800 8.5533E+00 4.0033E-01 -1.7497E+01 H2 3342 1.008000 0.423800 7.7167E+00 1.7260E+00 -1.7039E+01 O6 3343 15.999400 -0.847600 1.2869E+01 -1.9193E+01 -6.3371E+00 H1 3344 1.008000 0.423800 1.3547E+01 -1.9146E+01 -7.0710E+00 H2 3345 1.008000 0.423800 1.2865E+01 1.8985E+01 -5.9451E+00 O6 3346 15.999400 -0.847600 7.4898E+00 -1.5809E+01 -5.7266E+00 H1 3347 1.008000 0.423800 6.7507E+00 -1.6459E+01 -5.5527E+00 H2 3348 1.008000 0.423800 8.2382E+00 -1.5975E+01 -5.0845E+00 O6 3349 15.999400 -0.847600 -1.4334E+01 -1.3005E+01 -1.1807E+01 H1 3350 1.008000 0.423800 -1.3454E+01 -1.2592E+01 -1.1571E+01 H2 3351 1.008000 0.423800 -1.4256E+01 -1.4001E+01 -1.1768E+01 O6 3352 15.999400 -0.847600 1.3252E+01 -1.6832E+01 8.3451E+00 H1 3353 1.008000 0.423800 1.2295E+01 -1.7092E+01 8.2110E+00 H2 3354 1.008000 0.423800 1.3840E+01 -1.7442E+01 7.8147E+00 O6 3355 15.999400 -0.847600 9.8502E+00 -9.7117E+00 -9.9144E+00 H1 3356 1.008000 0.423800 1.0680E+01 -1.0269E+01 -9.8952E+00 H2 3357 1.008000 0.423800 9.4653E+00 -9.7187E+00 -1.0837E+01 O6 3358 15.999400 -0.847600 6.9936E+00 9.3263E+00 -1.5986E+01 H1 3359 1.008000 0.423800 7.2556E+00 9.1523E+00 -1.6935E+01 H2 3360 1.008000 0.423800 7.4062E+00 1.0184E+01 -1.5678E+01 O6 3361 15.999400 -0.847600 1.3828E+01 8.6825E+00 1.4727E+01 H1 3362 1.008000 0.423800 1.3569E+01 8.6139E+00 1.5690E+01 H2 3363 1.008000 0.423800 1.4718E+01 8.2463E+00 1.4589E+01 O6 3364 15.999400 -0.847600 9.8246E+00 1.2045E+01 -1.5187E+01 H1 3365 1.008000 0.423800 9.0958E+00 1.2077E+01 -1.5871E+01 H2 3366 1.008000 0.423800 1.0709E+01 1.2173E+01 -1.5636E+01 O6 3367 15.999400 -0.847600 6.0470E+00 -9.1543E+00 6.6334E+00 H1 3368 1.008000 0.423800 6.4991E+00 -8.6860E+00 7.3925E+00 H2 3369 1.008000 0.423800 6.7371E+00 -9.5523E+00 6.0289E+00 O6 3370 15.999400 -0.847600 1.1755E+01 -5.5325E+00 -2.2863E+00 H1 3371 1.008000 0.423800 1.2659E+01 -5.4337E+00 -2.7026E+00 H2 3372 1.008000 0.423800 1.1388E+01 -4.6283E+00 -2.0687E+00 O6 3373 15.999400 -0.847600 9.8982E+00 9.3815E+00 -1.3183E+00 H1 3374 1.008000 0.423800 1.0870E+01 9.1688E+00 -1.4195E+00 H2 3375 1.008000 0.423800 9.3592E+00 8.7526E+00 -1.8786E+00 O6 3376 15.999400 -0.847600 -1.4393E+01 8.2136E+00 -1.7206E+01 H1 3377 1.008000 0.423800 -1.3688E+01 7.6832E+00 -1.6735E+01 H2 3378 1.008000 0.423800 -1.5150E+01 8.3935E+00 -1.6578E+01 O6 3379 15.999400 -0.847600 6.0042E+00 5.8243E-01 2.3837E+00 H1 3380 1.008000 0.423800 5.9224E+00 1.5644E+00 2.2130E+00 H2 3381 1.008000 0.423800 6.9586E+00 3.5656E-01 2.5791E+00 O6 3382 15.999400 -0.847600 -4.0834E+00 1.5078E+00 8.6582E+00 H1 3383 1.008000 0.423800 -4.6584E+00 1.2740E+00 7.8741E+00 H2 3384 1.008000 0.423800 -3.5464E+00 7.0851E-01 8.9278E+00 O6 3385 15.999400 -0.847600 -1.5111E+01 -7.0038E-01 7.7709E+00 H1 3386 1.008000 0.423800 -1.6015E+01 -4.2028E-01 7.4478E+00 H2 3387 1.008000 0.423800 -1.4968E+01 -3.5787E-01 8.6995E+00 O6 3388 15.999400 -0.847600 1.2210E+01 -1.0593E+01 -1.2664E+01 H1 3389 1.008000 0.423800 1.1883E+01 -1.1449E+01 -1.2263E+01 H2 3390 1.008000 0.423800 1.2940E+01 -1.0790E+01 -1.3318E+01 O6 3391 15.999400 -0.847600 -7.9917E+00 9.6921E+00 5.1664E+00 H1 3392 1.008000 0.423800 -8.2447E+00 1.0401E+01 4.5076E+00 H2 3393 1.008000 0.423800 -7.1230E+00 9.2784E+00 4.8938E+00 O6 3394 15.999400 -0.847600 1.9228E+01 1.3740E+01 6.3817E+00 H1 3395 1.008000 0.423800 -1.9425E+01 1.4521E+01 6.8198E+00 H2 3396 1.008000 0.423800 1.8832E+01 1.4028E+01 5.5097E+00 O6 3397 15.999400 -0.847600 -1.3953E+01 -2.7468E+00 1.5333E+01 H1 3398 1.008000 0.423800 -1.3184E+01 -2.5831E+00 1.4715E+01 H2 3399 1.008000 0.423800 -1.4172E+01 -1.9032E+00 1.5823E+01 O6 3400 15.999400 -0.847600 -1.3211E+01 3.0861E+00 -1.2901E+01 H1 3401 1.008000 0.423800 -1.3273E+01 3.5702E+00 -1.3774E+01 H2 3402 1.008000 0.423800 -1.2582E+01 3.5720E+00 -1.2294E+01 O6 3403 15.999400 -0.847600 1.1916E+01 -1.7787E+01 -1.6935E+01 H1 3404 1.008000 0.423800 1.1305E+01 -1.7903E+01 -1.7718E+01 H2 3405 1.008000 0.423800 1.1480E+01 -1.8155E+01 -1.6114E+01 O6 3406 15.999400 -0.847600 -1.9116E+01 1.6285E+01 1.6378E+01 H1 3407 1.008000 0.423800 -1.9538E+01 1.6198E+01 1.7280E+01 H2 3408 1.008000 0.423800 -1.8142E+01 1.6486E+01 1.6483E+01 O6 3409 15.999400 -0.847600 -1.9480E+01 -1.4420E+01 2.5331E+00 H1 3410 1.008000 0.423800 -1.9217E+01 -1.5326E+01 2.2000E+00 H2 3411 1.008000 0.423800 1.9043E+01 -1.4518E+01 3.3459E+00 O6 3412 15.999400 -0.847600 7.1038E+00 -1.4141E+01 6.8627E+00 H1 3413 1.008000 0.423800 7.7477E+00 -1.3954E+01 7.6046E+00 H2 3414 1.008000 0.423800 6.7369E+00 -1.3278E+01 6.5142E+00 O6 3415 15.999400 -0.847600 -5.3060E+00 1.0262E+01 -1.5747E+01 H1 3416 1.008000 0.423800 -5.0172E+00 9.5903E+00 -1.6429E+01 H2 3417 1.008000 0.423800 -6.1721E+00 9.9727E+00 -1.5339E+01 O6 3418 15.999400 -0.847600 -1.6450E+01 1.1698E+01 2.7250E-01 H1 3419 1.008000 0.423800 -1.6643E+01 1.1418E+01 -6.6793E-01 H2 3420 1.008000 0.423800 -1.5952E+01 1.2565E+01 2.6653E-01 O6 3421 15.999400 -0.847600 1.1542E+01 -4.6068E+00 1.8144E+01 H1 3422 1.008000 0.423800 1.1152E+01 -4.2949E+00 1.9011E+01 H2 3423 1.008000 0.423800 1.1883E+01 -3.8199E+00 1.7630E+01 O6 3424 15.999400 -0.847600 1.7163E+01 4.7901E+00 1.7212E+01 H1 3425 1.008000 0.423800 1.8131E+01 5.0361E+00 1.7178E+01 H2 3426 1.008000 0.423800 1.6969E+01 4.1041E+00 1.6510E+01 O6 3427 15.999400 -0.847600 1.7176E+01 -1.1189E+01 -6.3316E+00 H1 3428 1.008000 0.423800 1.7760E+01 -1.0797E+01 -7.0430E+00 H2 3429 1.008000 0.423800 1.7041E+01 -1.0517E+01 -5.6040E+00 O6 3430 15.999400 -0.847600 -3.4535E+00 -1.2986E+01 1.7817E+00 H1 3431 1.008000 0.423800 -3.5590E+00 -1.2475E+01 9.2841E-01 H2 3432 1.008000 0.423800 -3.4505E+00 -1.2349E+01 2.5529E+00 O6 3433 15.999400 -0.847600 -1.4854E+01 9.4376E+00 -1.3184E+01 H1 3434 1.008000 0.423800 -1.4241E+01 9.2354E+00 -1.2420E+01 H2 3435 1.008000 0.423800 -1.5083E+01 1.0411E+01 -1.3179E+01 O6 3436 15.999400 -0.847600 1.2352E+01 -1.6294E+01 1.5558E+01 H1 3437 1.008000 0.423800 1.2385E+01 -1.5353E+01 1.5893E+01 H2 3438 1.008000 0.423800 1.2751E+01 -1.6337E+01 1.4642E+01 O6 3439 15.999400 -0.847600 -8.8861E+00 1.1095E+01 -1.9308E+01 H1 3440 1.008000 0.423800 -9.0158E+00 1.1236E+01 1.8808E+01 H2 3441 1.008000 0.423800 -8.0087E+00 1.1485E+01 -1.9029E+01 O6 3442 15.999400 -0.847600 -1.5458E+01 6.0549E+00 1.7934E+01 H1 3443 1.008000 0.423800 -1.4633E+01 5.8303E+00 1.7417E+01 H2 3444 1.008000 0.423800 -1.6265E+01 5.8502E+00 1.7380E+01 O6 3445 15.999400 -0.847600 -1.0034E+01 2.0618E-01 -4.9799E+00 H1 3446 1.008000 0.423800 -1.0522E+01 -3.6294E-01 -5.6419E+00 H2 3447 1.008000 0.423800 -9.2154E+00 5.8890E-01 -5.4085E+00 O6 3448 15.999400 -0.847600 -1.6962E+01 1.4230E+00 9.6894E+00 H1 3449 1.008000 0.423800 -1.6071E+01 1.0862E+00 9.9945E+00 H2 3450 1.008000 0.423800 -1.7438E+01 1.8494E+00 1.0458E+01 O6 3451 15.999400 -0.847600 -1.3046E+01 -7.4757E+00 -9.3181E+00 H1 3452 1.008000 0.423800 -1.2674E+01 -7.5305E+00 -1.0245E+01 H2 3453 1.008000 0.423800 -1.3907E+01 -6.9673E+00 -9.3340E+00 O6 3454 15.999400 -0.847600 8.1932E+00 1.9526E+01 9.5334E+00 H1 3455 1.008000 0.423800 7.7169E+00 1.8659E+01 9.3848E+00 H2 3456 1.008000 0.423800 8.2199E+00 -1.9370E+01 1.0512E+01 O6 3457 15.999400 -0.847600 -1.9099E+01 7.4834E+00 -1.1217E+01 H1 3458 1.008000 0.423800 1.9206E+01 7.9817E+00 -1.0864E+01 H2 3459 1.008000 0.423800 -1.8285E+01 8.0600E+00 -1.1148E+01 O6 3460 15.999400 -0.847600 -1.2817E+01 -2.9632E+00 4.1560E+00 H1 3461 1.008000 0.423800 -1.2037E+01 -2.9012E+00 4.7783E+00 H2 3462 1.008000 0.423800 -1.2515E+01 -3.3356E+00 3.2785E+00 O6 3463 15.999400 -0.847600 1.3118E+01 -5.6574E+00 3.8743E+00 H1 3464 1.008000 0.423800 1.3127E+01 -5.2685E+00 2.9531E+00 H2 3465 1.008000 0.423800 1.3638E+01 -6.5114E+00 3.8808E+00 O6 3466 15.999400 -0.847600 -1.3539E+01 -7.8846E+00 -1.2974E+01 H1 3467 1.008000 0.423800 -1.2708E+01 -7.5935E+00 -1.2500E+01 H2 3468 1.008000 0.423800 -1.3564E+01 -7.4745E+00 -1.3885E+01 O6 3469 15.999400 -0.847600 -6.9619E+00 4.3743E+00 -1.8042E+01 H1 3470 1.008000 0.423800 -6.1200E+00 4.9136E+00 -1.8023E+01 H2 3471 1.008000 0.423800 -7.0521E+00 3.8668E+00 -1.7186E+01 O6 3472 15.999400 -0.847600 -1.1297E+01 1.6203E+00 5.4046E+00 H1 3473 1.008000 0.423800 -1.0644E+01 2.2095E+00 5.8802E+00 H2 3474 1.008000 0.423800 -1.2165E+01 1.6156E+00 5.9014E+00 O6 3475 15.999400 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1.3225E+01 7.8346E-01 H2 3492 1.008000 0.423800 -1.9184E+01 1.4575E+01 1.4560E+00 O6 3493 15.999400 -0.847600 -1.2440E+01 -1.6815E+01 -2.8901E+00 H1 3494 1.008000 0.423800 -1.2374E+01 -1.6942E+01 -1.9003E+00 H2 3495 1.008000 0.423800 -1.1974E+01 -1.7569E+01 -3.3543E+00 O6 3496 15.999400 -0.847600 -5.3196E+00 1.4125E+01 -1.4817E+01 H1 3497 1.008000 0.423800 -5.6079E+00 1.4633E+01 -1.5629E+01 H2 3498 1.008000 0.423800 -4.6918E+00 1.3395E+01 -1.5086E+01 O6 3499 15.999400 -0.847600 -1.5895E+01 1.1972E+01 -1.3394E+01 H1 3500 1.008000 0.423800 -1.6433E+01 1.2757E+01 -1.3088E+01 H2 3501 1.008000 0.423800 -1.6278E+01 1.1617E+01 -1.4246E+01 O6 3502 15.999400 -0.847600 -1.2662E+00 -5.6522E+00 -1.1560E+01 H1 3503 1.008000 0.423800 -4.5717E-01 -6.1669E+00 -1.1276E+01 H2 3504 1.008000 0.423800 -1.0729E+00 -4.6724E+00 -1.1508E+01 O6 3505 15.999400 -0.847600 9.4376E+00 -1.1002E+01 1.7293E+01 H1 3506 1.008000 0.423800 8.9298E+00 -1.1041E+01 1.8153E+01 H2 3507 1.008000 0.423800 9.1650E+00 -1.0187E+01 1.6781E+01 O6 3508 15.999400 -0.847600 1.8272E+01 1.7132E+01 1.0903E+01 H1 3509 1.008000 0.423800 1.9141E+01 1.6692E+01 1.1129E+01 H2 3510 1.008000 0.423800 1.8192E+01 1.7991E+01 1.1409E+01 O6 3511 15.999400 -0.847600 3.7124E-01 -9.8126E-01 2.2600E+00 H1 3512 1.008000 0.423800 7.5641E-02 -2.6481E-02 2.2273E+00 H2 3513 1.008000 0.423800 -2.7372E-01 -1.5112E+00 2.8106E+00 O6 3514 15.999400 -0.847600 1.6551E+01 -8.5884E-01 7.9596E+00 H1 3515 1.008000 0.423800 1.5829E+01 -1.5328E+00 7.8049E+00 H2 3516 1.008000 0.423800 1.7398E+01 -1.1732E+00 7.5300E+00 O6 3517 15.999400 -0.847600 7.3273E+00 6.2246E+00 -1.1463E+00 H1 3518 1.008000 0.423800 6.7011E+00 5.5215E+00 -8.0931E-01 H2 3519 1.008000 0.423800 8.2042E+00 5.8051E+00 -1.3808E+00 O6 3520 15.999400 -0.847600 -1.7979E+01 3.7248E+00 1.3491E+01 H1 3521 1.008000 0.423800 -1.8632E+01 3.7034E+00 1.2735E+01 H2 3522 1.008000 0.423800 -1.7047E+01 3.7058E+00 1.3128E+01 O6 3523 15.999400 -0.847600 -1.4882E+01 1.0998E+01 1.6071E+01 H1 3524 1.008000 0.423800 -1.4167E+01 1.1662E+01 1.5853E+01 H2 3525 1.008000 0.423800 -1.5550E+01 1.0970E+01 1.5327E+01 O6 3526 15.999400 -0.847600 -1.7373E+01 1.1563E+01 -1.8175E+01 H1 3527 1.008000 0.423800 -1.7627E+01 1.0623E+01 -1.8401E+01 H2 3528 1.008000 0.423800 -1.6492E+01 1.1780E+01 -1.8595E+01 O6 3529 15.999400 -0.847600 5.8621E+00 5.2198E+00 -1.4899E+01 H1 3530 1.008000 0.423800 5.9964E+00 6.1292E+00 -1.4505E+01 H2 3531 1.008000 0.423800 5.2787E+00 5.2899E+00 -1.5708E+01 O6 3532 15.999400 -0.847600 1.6052E+00 -9.8359E+00 3.1915E+00 H1 3533 1.008000 0.423800 1.7594E+00 -9.4004E+00 2.3046E+00 H2 3534 1.008000 0.423800 2.3504E+00 -9.5970E+00 3.8141E+00 O6 3535 15.999400 -0.847600 -4.6587E+00 1.7372E+01 6.3012E+00 H1 3536 1.008000 0.423800 -4.7239E+00 1.8317E+01 5.9779E+00 H2 3537 1.008000 0.423800 -4.5874E+00 1.6756E+01 5.5172E+00 O6 3538 15.999400 -0.847600 -1.2520E+01 -9.6953E+00 -1.3048E+00 H1 3539 1.008000 0.423800 -1.2351E+01 -9.2261E+00 -4.3810E-01 H2 3540 1.008000 0.423800 -1.2065E+01 -1.0586E+01 -1.2961E+00 O6 3541 15.999400 -0.847600 1.4910E+01 9.2665E+00 4.2334E+00 H1 3542 1.008000 0.423800 1.4373E+01 8.5164E+00 4.6199E+00 H2 3543 1.008000 0.423800 1.5177E+01 9.8953E+00 4.9633E+00 O6 3544 15.999400 -0.847600 1.6888E+00 1.2718E+01 -9.1155E+00 H1 3545 1.008000 0.423800 1.5310E+00 1.3522E+01 -9.6896E+00 H2 3546 1.008000 0.423800 2.6424E+00 1.2430E+01 -9.2011E+00 O6 3547 15.999400 -0.847600 1.1032E+01 -1.9230E+01 1.7936E+00 H1 3548 1.008000 0.423800 1.1489E+01 1.9035E+01 2.1075E+00 H2 3549 1.008000 0.423800 1.1356E+01 -1.8998E+01 8.7646E-01 O6 3550 15.999400 -0.847600 2.4847E+00 -6.9100E+00 7.3170E+00 H1 3551 1.008000 0.423800 1.8811E+00 -6.2248E+00 6.9092E+00 H2 3552 1.008000 0.423800 1.9721E+00 -7.4513E+00 7.9834E+00 O6 3553 15.999400 -0.847600 -2.1621E+00 -3.1454E+00 1.4874E+01 H1 3554 1.008000 0.423800 -2.9486E+00 -3.6508E+00 1.4519E+01 H2 3555 1.008000 0.423800 -2.4794E+00 -2.4266E+00 1.5492E+01 O6 3556 15.999400 -0.847600 -5.4257E+00 1.7112E+01 1.6799E+01 H1 3557 1.008000 0.423800 -5.6535E+00 1.8066E+01 1.6604E+01 H2 3558 1.008000 0.423800 -4.6195E+00 1.6847E+01 1.6271E+01 O6 3559 15.999400 -0.847600 1.0949E+01 -6.5251E+00 1.6321E+01 H1 3560 1.008000 0.423800 1.0885E+01 -5.7086E+00 1.6895E+01 H2 3561 1.008000 0.423800 1.1443E+01 -6.3040E+00 1.5480E+01 O6 3562 15.999400 -0.847600 -3.8689E+00 -2.5648E+00 6.0804E+00 H1 3563 1.008000 0.423800 -4.7563E+00 -2.1741E+00 5.8354E+00 H2 3564 1.008000 0.423800 -3.3446E+00 -2.7482E+00 5.2489E+00 O6 3565 15.999400 -0.847600 -6.2275E+00 1.3575E+01 1.2699E+01 H1 3566 1.008000 0.423800 -5.9276E+00 1.4462E+01 1.2347E+01 H2 3567 1.008000 0.423800 -5.7750E+00 1.3394E+01 1.3573E+01 O6 3568 15.999400 -0.847600 1.0788E+01 4.4529E+00 -1.6833E+01 H1 3569 1.008000 0.423800 1.0030E+01 5.1049E+00 -1.6834E+01 H2 3570 1.008000 0.423800 1.0670E+01 3.8059E+00 -1.6080E+01 O6 3571 15.999400 -0.847600 1.4320E+01 -5.2303E+00 -3.5140E+00 H1 3572 1.008000 0.423800 1.4012E+01 -5.1692E+00 -4.4634E+00 H2 3573 1.008000 0.423800 1.5172E+01 -4.7180E+00 -3.4065E+00 O6 3574 15.999400 -0.847600 -1.4592E+01 -2.3524E+00 -1.7110E+01 H1 3575 1.008000 0.423800 -1.3919E+01 -3.0372E+00 -1.7389E+01 H2 3576 1.008000 0.423800 -1.4220E+01 -1.8064E+00 -1.6359E+01 O6 3577 15.999400 -0.847600 -9.1821E+00 -1.3276E+01 1.3159E+01 H1 3578 1.008000 0.423800 -9.1363E+00 -1.2577E+01 1.2444E+01 H2 3579 1.008000 0.423800 -9.2705E+00 -1.2834E+01 1.4052E+01 O6 3580 15.999400 -0.847600 -7.0423E+00 3.2909E+00 -2.6640E-01 H1 3581 1.008000 0.423800 -7.1182E+00 3.0294E+00 -1.2286E+00 H2 3582 1.008000 0.423800 -6.0770E+00 3.3614E+00 -1.5284E-02 O6 3583 15.999400 -0.847600 -1.3540E+01 4.7112E-01 -1.2367E+01 H1 3584 1.008000 0.423800 -1.2595E+01 1.5191E-01 -1.2444E+01 H2 3585 1.008000 0.423800 -1.3575E+01 1.4542E+00 -1.2546E+01 O6 3586 15.999400 -0.847600 -6.0512E+00 3.3395E+00 -6.4812E+00 H1 3587 1.008000 0.423800 -5.8831E+00 4.2523E+00 -6.8534E+00 H2 3588 1.008000 0.423800 -5.1795E+00 2.9101E+00 -6.2454E+00 O6 3589 15.999400 -0.847600 7.5218E+00 2.3296E+00 4.7645E+00 H1 3590 1.008000 0.423800 8.3155E+00 2.8959E+00 4.5422E+00 H2 3591 1.008000 0.423800 7.1721E+00 2.5852E+00 5.6658E+00 O6 3592 15.999400 -0.847600 1.4429E+01 -7.9613E+00 -9.7134E+00 H1 3593 1.008000 0.423800 1.3768E+01 -7.2176E+00 -9.6167E+00 H2 3594 1.008000 0.423800 1.4719E+01 -8.0276E+00 -1.0668E+01 O6 3595 15.999400 -0.847600 -4.9551E+00 -1.0106E+01 2.1237E+00 H1 3596 1.008000 0.423800 -5.7054E+00 -1.0482E+01 1.5801E+00 H2 3597 1.008000 0.423800 -4.8744E+00 -9.1249E+00 1.9465E+00 O6 3598 15.999400 -0.847600 -1.1362E+01 -7.1996E+00 -1.1467E+01 H1 3599 1.008000 0.423800 -1.0867E+01 -8.0052E+00 -1.1141E+01 H2 3600 1.008000 0.423800 -1.0708E+01 -6.4937E+00 -1.1739E+01 O6 3601 15.999400 -0.847600 1.6093E+01 1.6149E+01 -5.9374E+00 H1 3602 1.008000 0.423800 1.6891E+01 1.5570E+01 -6.1009E+00 H2 3603 1.008000 0.423800 1.5530E+01 1.6182E+01 -6.7636E+00 O6 3604 15.999400 -0.847600 -1.6457E+01 8.7406E+00 -1.5222E+01 H1 3605 1.008000 0.423800 -1.5850E+01 8.8760E+00 -1.4440E+01 H2 3606 1.008000 0.423800 -1.7055E+01 9.5365E+00 -1.5322E+01 O6 3607 15.999400 -0.847600 1.0809E+01 2.8107E+00 -3.2101E+00 H1 3608 1.008000 0.423800 1.0164E+01 2.0669E+00 -3.3866E+00 H2 3609 1.008000 0.423800 1.0305E+01 3.6645E+00 -3.0794E+00 O6 3610 15.999400 -0.847600 1.7902E+01 1.0645E+01 -1.2094E+00 H1 3611 1.008000 0.423800 1.7918E+01 1.1175E+01 -3.6127E-01 H2 3612 1.008000 0.423800 1.8341E+01 9.7597E+00 -1.0574E+00 O6 3613 15.999400 -0.847600 -1.5632E+01 9.2864E+00 2.4067E+00 H1 3614 1.008000 0.423800 -1.4781E+01 9.2002E+00 2.9253E+00 H2 3615 1.008000 0.423800 -1.5479E+01 9.8732E+00 1.6115E+00 O6 3616 15.999400 -0.847600 -6.6620E+00 1.6794E+01 -5.6083E+00 H1 3617 1.008000 0.423800 -7.3429E+00 1.7008E+01 -6.3088E+00 H2 3618 1.008000 0.423800 -7.0000E+00 1.7088E+01 -4.7143E+00 O6 3619 15.999400 -0.847600 -5.2727E+00 -1.4217E+01 -7.0948E+00 H1 3620 1.008000 0.423800 -5.1413E+00 -1.4984E+01 -7.7234E+00 H2 3621 1.008000 0.423800 -6.0592E+00 -1.4401E+01 -6.5052E+00 O6 3622 15.999400 -0.847600 -1.5110E+01 -1.8268E+01 1.4743E+01 H1 3623 1.008000 0.423800 -1.4251E+01 -1.8733E+01 1.4957E+01 H2 3624 1.008000 0.423800 -1.5356E+01 -1.7657E+01 1.5496E+01 O6 3625 15.999400 -0.847600 8.5767E+00 -1.6313E+01 -1.8134E+01 H1 3626 1.008000 0.423800 9.2561E+00 -1.5627E+01 -1.8395E+01 H2 3627 1.008000 0.423800 7.7490E+00 -1.6187E+01 -1.8681E+01 O6 3628 15.999400 -0.847600 -5.7470E+00 -1.1641E+01 -1.2447E+00 H1 3629 1.008000 0.423800 -4.7881E+00 -1.1374E+01 -1.1468E+00 H2 3630 1.008000 0.423800 -5.8064E+00 -1.2630E+01 -1.3768E+00 O6 3631 15.999400 -0.847600 -1.9251E+01 -6.6580E+00 9.2595E+00 H1 3632 1.008000 0.423800 -1.8659E+01 -7.3558E+00 9.6627E+00 H2 3633 1.008000 0.423800 1.8893E+01 -6.8647E+00 9.4761E+00 O6 3634 15.999400 -0.847600 1.3284E+01 7.3092E+00 5.3874E+00 H1 3635 1.008000 0.423800 1.3388E+01 6.5508E+00 6.0308E+00 H2 3636 1.008000 0.423800 1.2319E+01 7.5680E+00 5.3311E+00 O6 3637 15.999400 -0.847600 7.8146E+00 -1.3780E+01 1.5284E+01 H1 3638 1.008000 0.423800 8.6016E+00 -1.3487E+01 1.4741E+01 H2 3639 1.008000 0.423800 7.7452E+00 -1.4777E+01 1.5260E+01 O6 3640 15.999400 -0.847600 5.1359E+00 2.1007E+00 6.8026E+00 H1 3641 1.008000 0.423800 4.3010E+00 2.5545E+00 7.1139E+00 H2 3642 1.008000 0.423800 5.7501E+00 1.9633E+00 7.5796E+00 O6 3643 15.999400 -0.847600 1.1496E+01 1.2064E+01 -7.9102E+00 H1 3644 1.008000 0.423800 1.1371E+01 1.3017E+01 -8.1872E+00 H2 3645 1.008000 0.423800 1.1306E+01 1.1464E+01 -8.6869E+00 O6 3646 15.999400 -0.847600 8.5551E+00 -1.3198E+01 -1.8356E+01 H1 3647 1.008000 0.423800 7.9484E+00 -1.3807E+01 -1.8866E+01 H2 3648 1.008000 0.423800 8.4412E+00 -1.2261E+01 -1.8686E+01 O6 3649 15.999400 -0.847600 -1.5759E+01 1.5141E+01 -2.1565E+00 H1 3650 1.008000 0.423800 -1.5468E+01 1.6083E+01 -2.3249E+00 H2 3651 1.008000 0.423800 -1.5662E+01 1.4607E+01 -2.9963E+00 O6 3652 15.999400 -0.847600 -6.4831E+00 1.9517E+01 1.6080E+01 H1 3653 1.008000 0.423800 -7.4280E+00 1.9201E+01 1.5998E+01 H2 3654 1.008000 0.423800 -6.3715E+00 -1.9084E+01 1.6941E+01 O6 3655 15.999400 -0.847600 -9.7058E+00 -1.0781E+01 1.7663E+01 H1 3656 1.008000 0.423800 -1.0126E+01 -9.9045E+00 1.7427E+01 H2 3657 1.008000 0.423800 -9.0381E+00 -1.0644E+01 1.8395E+01 O6 3658 15.999400 -0.847600 9.0248E+00 1.7612E+01 1.4130E+01 H1 3659 1.008000 0.423800 9.7671E+00 1.7195E+01 1.3605E+01 H2 3660 1.008000 0.423800 8.1734E+00 1.7118E+01 1.3952E+01 O6 3661 15.999400 -0.847600 9.9865E+00 -1.3391E+01 1.3533E+01 H1 3662 1.008000 0.423800 1.0238E+01 -1.2929E+01 1.2683E+01 H2 3663 1.008000 0.423800 9.9419E+00 -1.4378E+01 1.3376E+01 O6 3664 15.999400 -0.847600 1.2740E+00 8.8451E+00 -1.7717E+01 H1 3665 1.008000 0.423800 2.0103E+00 8.7939E+00 -1.7042E+01 H2 3666 1.008000 0.423800 5.6842E-01 8.1732E+00 -1.7492E+01 O6 3667 15.999400 -0.847600 -1.4979E+01 -7.4696E+00 1.9390E+01 H1 3668 1.008000 0.423800 -1.4029E+01 -7.1586E+00 1.9371E+01 H2 3669 1.008000 0.423800 -1.5469E+01 -6.9970E+00 -1.8975E+01 O6 3670 15.999400 -0.847600 1.0587E+01 7.9397E+00 5.1672E+00 H1 3671 1.008000 0.423800 9.6473E+00 7.7482E+00 5.4498E+00 H2 3672 1.008000 0.423800 1.0579E+01 8.4569E+00 4.3114E+00 O6 3673 15.999400 -0.847600 6.3499E+00 -1.9306E+01 -1.4563E+01 H1 3674 1.008000 0.423800 7.2175E+00 -1.9463E+01 -1.5034E+01 H2 3675 1.008000 0.423800 5.6026E+00 1.9402E+01 -1.5101E+01 O6 3676 15.999400 -0.847600 1.9404E+01 3.6319E-01 2.8551E+00 H1 3677 1.008000 0.423800 1.8752E+01 1.0949E-01 3.5696E+00 H2 3678 1.008000 0.423800 -1.8927E+01 8.5845E-01 3.2640E+00 O6 3679 15.999400 -0.847600 1.8416E+01 1.7425E+01 -1.2188E+01 H1 3680 1.008000 0.423800 1.7576E+01 1.7967E+01 -1.2157E+01 H2 3681 1.008000 0.423800 1.8562E+01 1.7091E+01 -1.3119E+01 O6 3682 15.999400 -0.847600 1.7512E+01 -1.2526E+01 8.9787E+00 H1 3683 1.008000 0.423800 1.7083E+01 -1.3412E+01 8.8025E+00 H2 3684 1.008000 0.423800 1.7943E+01 -1.2192E+01 8.1405E+00 O6 3685 15.999400 -0.847600 -8.9605E+00 4.0141E+00 -5.0374E+00 H1 3686 1.008000 0.423800 -8.7491E+00 3.7668E+00 -5.9830E+00 H2 3687 1.008000 0.423800 -9.7109E+00 4.6750E+00 -5.0256E+00 O6 3688 15.999400 -0.847600 -5.7993E-01 9.2455E+00 2.9624E+00 H1 3689 1.008000 0.423800 -1.3214E+00 9.7933E+00 2.5748E+00 H2 3690 1.008000 0.423800 -3.8651E-01 9.5572E+00 3.8927E+00 O6 3691 15.999400 -0.847600 -8.7871E+00 -5.5657E-01 3.2818E+00 H1 3692 1.008000 0.423800 -8.7703E+00 -2.8949E-01 2.3183E+00 H2 3693 1.008000 0.423800 -9.2586E+00 1.4636E-01 3.8143E+00 O6 3694 15.999400 -0.847600 1.7735E+00 -1.8358E+01 -1.7980E+01 H1 3695 1.008000 0.423800 2.1828E+00 -1.7486E+01 -1.8247E+01 H2 3696 1.008000 0.423800 1.3954E+00 -1.8280E+01 -1.7058E+01 O6 3697 15.999400 -0.847600 9.3276E+00 -2.1792E+00 2.9675E+00 H1 3698 1.008000 0.423800 9.1084E+00 -1.2036E+00 2.9835E+00 H2 3699 1.008000 0.423800 1.0318E+01 -2.2971E+00 2.9018E+00 O6 3700 15.999400 -0.847600 -1.8431E+01 6.1809E+00 -5.6560E+00 H1 3701 1.008000 0.423800 -1.9199E+01 6.7121E+00 -6.0145E+00 H2 3702 1.008000 0.423800 -1.8648E+01 5.2060E+00 -5.7067E+00 O6 3703 15.999400 -0.847600 -4.3883E+00 -1.3212E+01 -1.8790E+01 H1 3704 1.008000 0.423800 -4.6680E+00 -1.4163E+01 -1.8925E+01 H2 3705 1.008000 0.423800 -4.4409E+00 -1.2984E+01 -1.7818E+01 O6 3706 15.999400 -0.847600 -1.4568E+01 -1.5467E+01 -1.7661E+01 H1 3707 1.008000 0.423800 -1.3823E+01 -1.6117E+01 -1.7511E+01 H2 3708 1.008000 0.423800 -1.5104E+01 -1.5373E+01 -1.6822E+01 O6 3709 15.999400 -0.847600 -1.1044E+01 1.4594E+01 6.9168E+00 H1 3710 1.008000 0.423800 -1.0499E+01 1.4055E+01 6.2739E+00 H2 3711 1.008000 0.423800 -1.1967E+01 1.4713E+01 6.5528E+00 O6 3712 15.999400 -0.847600 1.0514E+00 -1.9396E+01 1.0680E+01 H1 3713 1.008000 0.423800 1.4119E+00 -1.8468E+01 1.0777E+01 H2 3714 1.008000 0.423800 8.2316E-01 1.9337E+01 1.1583E+01 O6 3715 15.999400 -0.847600 -1.2567E+01 1.8743E+01 4.7176E+00 H1 3716 1.008000 0.423800 -1.1767E+01 1.8172E+01 4.8981E+00 H2 3717 1.008000 0.423800 -1.3209E+01 1.8668E+01 5.4808E+00 O6 3718 15.999400 -0.847600 6.1383E+00 1.8885E+01 1.2210E+01 H1 3719 1.008000 0.423800 6.9720E+00 1.9437E+01 1.2192E+01 H2 3720 1.008000 0.423800 6.3784E+00 1.7923E+01 1.2339E+01 O6 3721 15.999400 -0.847600 1.9055E+01 -1.7797E+01 -4.6305E+00 H1 3722 1.008000 0.423800 1.8379E+01 -1.7406E+01 -4.0062E+00 H2 3723 1.008000 0.423800 1.8630E+01 -1.7965E+01 -5.5196E+00 O6 3724 15.999400 -0.847600 -1.8598E-01 -5.0543E+00 2.8141E+00 H1 3725 1.008000 0.423800 7.8724E-01 -5.1087E+00 2.5907E+00 H2 3726 1.008000 0.423800 -7.2169E-01 -5.0443E+00 1.9698E+00 O6 3727 15.999400 -0.847600 -5.5386E+00 1.9053E+01 -1.8210E+01 H1 3728 1.008000 0.423800 -5.8559E+00 -1.9099E+01 -1.8287E+01 H2 3729 1.008000 0.423800 -6.3004E+00 1.8467E+01 -1.7933E+01 O6 3730 15.999400 -0.847600 3.5659E+00 2.5101E+00 1.5776E+01 H1 3731 1.008000 0.423800 4.4718E+00 2.9061E+00 1.5927E+01 H2 3732 1.008000 0.423800 3.2835E+00 2.0050E+00 1.6592E+01 O6 3733 15.999400 -0.847600 -1.1050E+01 1.7072E+01 9.8092E-01 H1 3734 1.008000 0.423800 -1.1017E+01 1.6949E+01 -1.0876E-02 H2 3735 1.008000 0.423800 -1.1991E+01 1.7260E+01 1.2622E+00 O6 3736 15.999400 -0.847600 9.7791E+00 3.8995E+00 4.5290E+00 H1 3737 1.008000 0.423800 9.8275E+00 3.9522E+00 5.5265E+00 H2 3738 1.008000 0.423800 1.0704E+01 3.8600E+00 4.1520E+00 O6 3739 15.999400 -0.847600 1.2016E+01 -1.2399E+01 1.9479E+00 H1 3740 1.008000 0.423800 1.2543E+01 -1.2504E+01 2.7915E+00 H2 3741 1.008000 0.423800 1.2539E+01 -1.2770E+01 1.1803E+00 O6 3742 15.999400 -0.847600 1.2433E-01 -1.7369E+01 5.4726E+00 H1 3743 1.008000 0.423800 6.3197E-01 -1.7084E+01 6.2857E+00 H2 3744 1.008000 0.423800 4.9480E-01 -1.8234E+01 5.1346E+00 O6 3745 15.999400 -0.847600 -9.8937E+00 -8.1482E+00 1.1866E+01 H1 3746 1.008000 0.423800 -9.4709E+00 -7.6372E+00 1.1117E+01 H2 3747 1.008000 0.423800 -1.0829E+01 -7.8239E+00 1.2004E+01 O6 3748 15.999400 -0.847600 3.5416E+00 -1.7705E+01 -1.2042E+01 H1 3749 1.008000 0.423800 2.9298E+00 -1.8155E+01 -1.1391E+01 H2 3750 1.008000 0.423800 4.4891E+00 -1.7823E+01 -1.1745E+01 O6 3751 15.999400 -0.847600 -6.2136E+00 1.9037E+01 3.7379E+00 H1 3752 1.008000 0.423800 -6.1349E+00 1.8971E+01 2.7432E+00 H2 3753 1.008000 0.423800 -5.3507E+00 1.9369E+01 4.1191E+00 O6 3754 15.999400 -0.847600 1.2758E+01 6.5575E+00 -1.6425E+01 H1 3755 1.008000 0.423800 1.2410E+01 5.7932E+00 -1.6968E+01 H2 3756 1.008000 0.423800 1.2486E+01 6.4388E+00 -1.5470E+01 O6 3757 15.999400 -0.847600 -1.4871E+01 -1.1838E+01 1.1706E+01 H1 3758 1.008000 0.423800 -1.4521E+01 -1.1179E+01 1.1040E+01 H2 3759 1.008000 0.423800 -1.5187E+01 -1.2658E+01 1.1230E+01 O6 3760 15.999400 -0.847600 -1.9231E+01 1.4970E+01 -4.2715E+00 H1 3761 1.008000 0.423800 1.9203E+01 1.4814E+01 -5.0029E+00 H2 3762 1.008000 0.423800 1.9444E+01 1.4764E+01 -3.3887E+00 O6 3763 15.999400 -0.847600 -4.2267E+00 -1.6723E+01 -1.1659E+01 H1 3764 1.008000 0.423800 -4.1053E+00 -1.7711E+01 -1.1754E+01 H2 3765 1.008000 0.423800 -4.1409E+00 -1.6289E+01 -1.2556E+01 O6 3766 15.999400 -0.847600 9.6866E+00 -7.6220E-02 -5.2475E-01 H1 3767 1.008000 0.423800 9.3660E+00 -9.0496E-01 -6.6012E-02 H2 3768 1.008000 0.423800 9.1906E+00 7.1536E-01 -1.6780E-01 O6 3769 15.999400 -0.847600 -8.3298E-01 1.3398E+01 5.5228E+00 H1 3770 1.008000 0.423800 -1.3789E+00 1.4099E+01 5.0641E+00 H2 3771 1.008000 0.423800 1.3672E-01 1.3555E+01 5.3363E+00 O6 3772 15.999400 -0.847600 -1.3383E+01 5.4076E+00 1.6321E+01 H1 3773 1.008000 0.423800 -1.3487E+01 4.4130E+00 1.6321E+01 H2 3774 1.008000 0.423800 -1.2683E+01 5.6689E+00 1.6985E+01 O6 3775 15.999400 -0.847600 -1.1896E+01 2.2001E+00 -4.7282E+00 H1 3776 1.008000 0.423800 -1.2639E+01 1.8467E+00 -4.1598E+00 H2 3777 1.008000 0.423800 -1.1207E+01 1.4867E+00 -4.8580E+00 O6 3778 15.999400 -0.847600 5.0827E+00 -1.0515E+01 1.7424E+01 H1 3779 1.008000 0.423800 5.2688E+00 -9.7156E+00 1.6853E+01 H2 3780 1.008000 0.423800 5.3995E+00 -1.0339E+01 1.8356E+01 O6 3781 15.999400 -0.847600 5.7723E-01 -9.1612E+00 -1.0535E+00 H1 3782 1.008000 0.423800 -1.4169E-01 -8.5763E+00 -6.7787E-01 H2 3783 1.008000 0.423800 8.1011E-01 -8.8525E+00 -1.9757E+00 O6 3784 15.999400 -0.847600 -1.2858E+01 -5.4713E+00 -2.3129E+00 H1 3785 1.008000 0.423800 -1.3093E+01 -4.5327E+00 -2.5652E+00 H2 3786 1.008000 0.423800 -1.3395E+01 -6.1092E+00 -2.8650E+00 O6 3787 15.999400 -0.847600 -1.8281E+01 1.6196E+01 -8.6213E-01 H1 3788 1.008000 0.423800 -1.7847E+01 1.5867E+01 -1.7010E+00 H2 3789 1.008000 0.423800 -1.8666E+01 1.5421E+01 -3.6032E-01 O6 3790 15.999400 -0.847600 -6.0429E+00 1.1882E+01 1.0268E+01 H1 3791 1.008000 0.423800 -6.2907E+00 1.2484E+01 1.1026E+01 H2 3792 1.008000 0.423800 -5.1060E+00 1.2078E+01 9.9783E+00 O6 3793 15.999400 -0.847600 -1.4749E+01 1.8092E-01 1.7204E+01 H1 3794 1.008000 0.423800 -1.5427E+01 3.8879E-01 1.7909E+01 H2 3795 1.008000 0.423800 -1.4104E+01 -4.9913E-01 1.7552E+01 O6 3796 15.999400 -0.847600 3.3522E+00 8.2207E+00 1.9193E+01 H1 3797 1.008000 0.423800 3.5593E+00 7.2535E+00 1.9046E+01 H2 3798 1.008000 0.423800 2.8472E+00 8.3267E+00 -1.9048E+01 O6 3799 15.999400 -0.847600 6.9226E+00 1.6358E+00 8.7742E+00 H1 3800 1.008000 0.423800 6.7622E+00 9.7748E-01 9.5096E+00 H2 3801 1.008000 0.423800 7.8664E+00 1.5542E+00 8.4538E+00 O6 3802 15.999400 -0.847600 1.9354E+01 -1.2796E+01 -1.3208E+01 H1 3803 1.008000 0.423800 -1.8862E+01 -1.2335E+01 -1.3108E+01 H2 3804 1.008000 0.423800 1.9480E+01 -1.3782E+01 -1.3098E+01 O6 3805 15.999400 -0.847600 -1.5066E-01 1.8668E+00 -2.9466E+00 H1 3806 1.008000 0.423800 -7.6001E-01 2.5386E+00 -2.5254E+00 H2 3807 1.008000 0.423800 -6.1227E-01 9.8094E-01 -2.9927E+00 O6 3808 15.999400 -0.847600 -1.6969E+01 -1.2594E+01 -1.3497E+01 H1 3809 1.008000 0.423800 -1.6785E+01 -1.2043E+01 -1.4311E+01 H2 3810 1.008000 0.423800 -1.6128E+01 -1.2696E+01 -1.2967E+01 O6 3811 15.999400 -0.847600 4.4086E+00 1.6678E+01 -1.6064E+01 H1 3812 1.008000 0.423800 4.1898E+00 1.7633E+01 -1.6267E+01 H2 3813 1.008000 0.423800 3.5741E+00 1.6129E+01 -1.6106E+01 O6 3814 15.999400 -0.847600 -1.2743E+01 -1.4556E+01 3.4557E+00 H1 3815 1.008000 0.423800 -1.1923E+01 -1.5126E+01 3.5152E+00 H2 3816 1.008000 0.423800 -1.2548E+01 -1.3750E+01 2.8971E+00 O6 3817 15.999400 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1.9038E+00 9.1174E+00 H2 3834 1.008000 0.423800 -9.5783E+00 1.1738E+00 9.0895E+00 O6 3835 15.999400 -0.847600 3.4300E+00 3.1321E+00 -7.2760E+00 H1 3836 1.008000 0.423800 2.9235E+00 3.5599E+00 -8.0247E+00 H2 3837 1.008000 0.423800 3.2583E+00 3.6337E+00 -6.4281E+00 O6 3838 15.999400 -0.847600 -1.1707E+01 1.2524E+01 -1.3401E+01 H1 3839 1.008000 0.423800 -1.2263E+01 1.2026E+01 -1.4067E+01 H2 3840 1.008000 0.423800 -1.2097E+01 1.3433E+01 -1.3255E+01 O6 3841 15.999400 -0.847600 -8.8559E+00 8.1099E+00 1.0329E+01 H1 3842 1.008000 0.423800 -8.1337E+00 8.7310E+00 1.0633E+01 H2 3843 1.008000 0.423800 -8.7527E+00 7.2280E+00 1.0789E+01 O6 3844 15.999400 -0.847600 6.6454E+00 1.1335E+01 1.9067E+01 H1 3845 1.008000 0.423800 7.1417E+00 1.2203E+01 1.9051E+01 H2 3846 1.008000 0.423800 5.7016E+00 1.1496E+01 1.9355E+01 O6 3847 15.999400 -0.847600 1.3878E+01 -1.6054E+01 -5.8725E-01 H1 3848 1.008000 0.423800 1.4477E+01 -1.5897E+01 -1.3723E+00 H2 3849 1.008000 0.423800 1.4431E+01 -1.6148E+01 2.4053E-01 O6 3850 15.999400 -0.847600 7.0601E+00 1.6484E+01 -1.5308E+01 H1 3851 1.008000 0.423800 7.2824E+00 1.7143E+01 -1.4589E+01 H2 3852 1.008000 0.423800 6.0768E+00 1.6507E+01 -1.5488E+01 O6 3853 15.999400 -0.847600 -1.2986E+01 -1.0170E+01 1.6119E+01 H1 3854 1.008000 0.423800 -1.3038E+01 -1.0955E+01 1.6736E+01 H2 3855 1.008000 0.423800 -1.2300E+01 -1.0345E+01 1.5413E+01 O6 3856 15.999400 -0.847600 -7.9683E+00 -4.7446E+00 3.5390E+00 H1 3857 1.008000 0.423800 -7.1688E+00 -5.2915E+00 3.7875E+00 H2 3858 1.008000 0.423800 -7.9119E+00 -4.4917E+00 2.5731E+00 O6 3859 15.999400 -0.847600 -6.3456E-01 3.6136E+00 1.0966E+01 H1 3860 1.008000 0.423800 2.4898E-01 4.0195E+00 1.1200E+01 H2 3861 1.008000 0.423800 -6.9237E-01 2.6942E+00 1.1355E+01 O6 3862 15.999400 -0.847600 1.5707E+01 -1.6865E+01 -1.5008E+01 H1 3863 1.008000 0.423800 1.6049E+01 -1.6157E+01 -1.4390E+01 H2 3864 1.008000 0.423800 1.6472E+01 -1.7272E+01 -1.5506E+01 O6 3865 15.999400 -0.847600 -5.2749E+00 -7.5828E+00 -1.4005E+01 H1 3866 1.008000 0.423800 -6.2499E+00 -7.5371E+00 -1.3787E+01 H2 3867 1.008000 0.423800 -5.1428E+00 -8.1324E+00 -1.4829E+01 O6 3868 15.999400 -0.847600 1.3020E+01 -1.6854E+01 -9.0769E+00 H1 3869 1.008000 0.423800 1.2509E+01 -1.6445E+01 -8.3208E+00 H2 3870 1.008000 0.423800 1.3062E+01 -1.6208E+01 -9.8389E+00 O6 3871 15.999400 -0.847600 -1.8150E+01 -1.2179E+01 2.6960E+00 H1 3872 1.008000 0.423800 -1.8442E+01 -1.3129E+01 2.5807E+00 H2 3873 1.008000 0.423800 -1.7687E+01 -1.2078E+01 3.5765E+00 O6 3874 15.999400 -0.847600 1.3697E+01 -8.6504E+00 -5.5662E+00 H1 3875 1.008000 0.423800 1.4166E+01 -8.8606E+00 -4.7085E+00 H2 3876 1.008000 0.423800 1.4147E+01 -7.8759E+00 -6.0110E+00 O6 3877 15.999400 -0.847600 2.9024E+00 7.3491E+00 2.4572E-01 H1 3878 1.008000 0.423800 2.6323E+00 6.5533E+00 7.8772E-01 H2 3879 1.008000 0.423800 3.5582E+00 7.8982E+00 7.6388E-01 O6 3880 15.999400 -0.847600 -5.9006E+00 4.4060E+00 -1.1182E+01 H1 3881 1.008000 0.423800 -6.7626E+00 4.2217E+00 -1.0710E+01 H2 3882 1.008000 0.423800 -5.8015E+00 5.3912E+00 -1.1323E+01 O6 3883 15.999400 -0.847600 -4.7642E+00 1.4295E+01 -1.6920E-01 H1 3884 1.008000 0.423800 -3.8554E+00 1.4684E+01 -3.1905E-01 H2 3885 1.008000 0.423800 -4.8199E+00 1.3399E+01 -6.1068E-01 O6 3886 15.999400 -0.847600 1.3481E+01 1.4557E+01 -1.2858E+01 H1 3887 1.008000 0.423800 1.2917E+01 1.3856E+01 -1.2423E+01 H2 3888 1.008000 0.423800 1.3383E+01 1.4495E+01 -1.3851E+01 O6 3889 15.999400 -0.847600 -8.5177E+00 1.5953E+01 -1.1497E+01 H1 3890 1.008000 0.423800 -7.5276E+00 1.6076E+01 -1.1565E+01 H2 3891 1.008000 0.423800 -8.9782E+00 1.6794E+01 -1.1783E+01 O6 3892 15.999400 -0.847600 1.1155E+01 -9.5049E+00 1.3242E+01 H1 3893 1.008000 0.423800 1.1984E+01 -9.1746E+00 1.3692E+01 H2 3894 1.008000 0.423800 1.1394E+01 -1.0221E+01 1.2586E+01 O6 3895 15.999400 -0.847600 1.6671E+01 6.4072E+00 -1.1909E+01 H1 3896 1.008000 0.423800 1.6183E+01 5.7042E+00 -1.2426E+01 H2 3897 1.008000 0.423800 1.7544E+01 6.0390E+00 -1.1588E+01 O6 3898 15.999400 -0.847600 1.3271E+01 -5.3087E-01 -1.0958E+01 H1 3899 1.008000 0.423800 1.3797E+01 -8.9119E-01 -1.1729E+01 H2 3900 1.008000 0.423800 1.3677E+01 -8.4747E-01 -1.0101E+01 O6 3901 15.999400 -0.847600 4.9556E+00 -1.0626E+01 -5.5100E+00 H1 3902 1.008000 0.423800 4.4144E+00 -1.0207E+01 -6.2395E+00 H2 3903 1.008000 0.423800 4.4671E+00 -1.0540E+01 -4.6417E+00 O6 3904 15.999400 -0.847600 -1.2716E+01 7.2634E+00 1.4541E+01 H1 3905 1.008000 0.423800 -1.2550E+01 7.9835E+00 1.5214E+01 H2 3906 1.008000 0.423800 -1.3025E+01 6.4347E+00 1.5008E+01 O6 3907 15.999400 -0.847600 1.2902E+01 1.4132E+01 2.0043E+00 H1 3908 1.008000 0.423800 1.2569E+01 1.4856E+01 1.4006E+00 H2 3909 1.008000 0.423800 1.2942E+01 1.3269E+01 1.4994E+00 O6 3910 15.999400 -0.847600 2.3178E+00 -5.3224E+00 1.7928E+00 H1 3911 1.008000 0.423800 3.0576E+00 -5.9344E+00 2.0726E+00 H2 3912 1.008000 0.423800 2.7055E+00 -4.4736E+00 1.4332E+00 O6 3913 15.999400 -0.847600 -7.6636E+00 -1.4831E+01 -9.4393E+00 H1 3914 1.008000 0.423800 -8.0046E+00 -1.5720E+01 -9.1321E+00 H2 3915 1.008000 0.423800 -8.3479E+00 -1.4396E+01 -1.0024E+01 O6 3916 15.999400 -0.847600 1.1039E+00 7.0992E+00 6.8752E+00 H1 3917 1.008000 0.423800 9.2226E-01 8.0602E+00 6.6667E+00 H2 3918 1.008000 0.423800 3.3031E-01 6.5411E+00 6.5753E+00 O6 3919 15.999400 -0.847600 -1.4988E+01 -9.6557E+00 -1.1572E+01 H1 3920 1.008000 0.423800 -1.4586E+01 -9.0203E+00 -1.2232E+01 H2 3921 1.008000 0.423800 -1.4447E+01 -1.0497E+01 -1.1548E+01 O6 3922 15.999400 -0.847600 1.8656E+01 -5.9639E+00 -2.6874E+00 H1 3923 1.008000 0.423800 1.8890E+01 -5.0472E+00 -3.0112E+00 H2 3924 1.008000 0.423800 1.8694E+01 -5.9843E+00 -1.6884E+00 O6 3925 15.999400 -0.847600 -8.3749E+00 -7.4478E+00 1.4271E+01 H1 3926 1.008000 0.423800 -8.8012E+00 -7.9512E+00 1.3519E+01 H2 3927 1.008000 0.423800 -9.0169E+00 -6.7662E+00 1.4622E+01 O6 3928 15.999400 -0.847600 -1.9106E+01 6.6700E+00 -1.3691E+01 H1 3929 1.008000 0.423800 -1.9097E+01 7.1659E+00 -1.2823E+01 H2 3930 1.008000 0.423800 -1.8324E+01 6.0484E+00 -1.3728E+01 O6 3931 15.999400 -0.847600 3.5726E+00 6.7897E+00 -2.2562E+00 H1 3932 1.008000 0.423800 3.3271E+00 6.9565E+00 -1.3012E+00 H2 3933 1.008000 0.423800 4.5102E+00 7.0977E+00 -2.4179E+00 O6 3934 15.999400 -0.847600 -1.8652E+01 2.3428E+00 1.4038E+00 H1 3935 1.008000 0.423800 -1.8942E+01 3.2932E+00 1.2917E+00 H2 3936 1.008000 0.423800 -1.9390E+01 1.8168E+00 1.8267E+00 O6 3937 15.999400 -0.847600 -1.9891E+00 4.3304E+00 1.5007E+01 H1 3938 1.008000 0.423800 -2.2148E+00 3.4625E+00 1.4565E+01 H2 3939 1.008000 0.423800 -2.1595E+00 5.0830E+00 1.4371E+01 O6 3940 15.999400 -0.847600 -1.6866E+01 -7.2717E+00 -5.2320E+00 H1 3941 1.008000 0.423800 -1.7232E+01 -6.4072E+00 -4.8873E+00 H2 3942 1.008000 0.423800 -1.7470E+01 -7.6289E+00 -5.9442E+00 O6 3943 15.999400 -0.847600 -1.3088E+01 -1.4352E+01 6.6626E+00 H1 3944 1.008000 0.423800 -1.2921E+01 -1.4346E+01 5.6767E+00 H2 3945 1.008000 0.423800 -1.2741E+01 -1.5204E+01 7.0543E+00 O6 3946 15.999400 -0.847600 1.8877E+01 9.3800E+00 6.5468E+00 H1 3947 1.008000 0.423800 1.8788E+01 9.7383E+00 5.6174E+00 H2 3948 1.008000 0.423800 1.8035E+01 8.9040E+00 6.8020E+00 O6 3949 15.999400 -0.847600 5.2458E+00 1.8563E+01 5.5503E+00 H1 3950 1.008000 0.423800 6.0905E+00 1.9094E+01 5.4846E+00 H2 3951 1.008000 0.423800 5.4628E+00 1.7623E+01 5.8160E+00 O6 3952 15.999400 -0.847600 -1.6856E+01 -6.8907E+00 -2.0317E+00 H1 3953 1.008000 0.423800 -1.7537E+01 -7.4785E+00 -1.5939E+00 H2 3954 1.008000 0.423800 -1.5987E+01 -7.3801E+00 -2.0989E+00 O6 3955 15.999400 -0.847600 -1.7153E+01 -1.7127E+01 4.0992E+00 H1 3956 1.008000 0.423800 -1.6896E+01 -1.8092E+01 4.0567E+00 H2 3957 1.008000 0.423800 -1.7279E+01 -1.6857E+01 5.0540E+00 O6 3958 15.999400 -0.847600 -1.8183E+01 1.1665E+01 6.7647E+00 H1 3959 1.008000 0.423800 -1.8765E+01 1.0852E+01 6.7324E+00 H2 3960 1.008000 0.423800 -1.8750E+01 1.2484E+01 6.6748E+00 O6 3961 15.999400 -0.847600 8.8417E+00 -1.3639E+01 -1.2724E+01 H1 3962 1.008000 0.423800 8.2026E+00 -1.2909E+01 -1.2967E+01 H2 3963 1.008000 0.423800 8.9687E+00 -1.3655E+01 -1.1732E+01 O6 3964 15.999400 -0.847600 9.8932E-01 9.7524E+00 -1.3357E+01 H1 3965 1.008000 0.423800 8.2489E-01 1.0508E+01 -1.3991E+01 H2 3966 1.008000 0.423800 1.8941E+00 9.3633E+00 -1.3530E+01 O6 3967 15.999400 -0.847600 1.8559E+01 -1.9483E+01 -1.7961E+01 H1 3968 1.008000 0.423800 1.9281E+01 1.9066E+01 -1.7539E+01 H2 3969 1.008000 0.423800 1.8487E+01 1.9380E+01 -1.8930E+01 O6 3970 15.999400 -0.847600 -1.5967E+00 -8.1901E+00 -9.1229E+00 H1 3971 1.008000 0.423800 -6.3917E-01 -8.0260E+00 -9.3600E+00 H2 3972 1.008000 0.423800 -1.7231E+00 -9.1558E+00 -8.8962E+00 O6 3973 15.999400 -0.847600 8.7208E+00 -1.8796E+01 -1.6240E+01 H1 3974 1.008000 0.423800 9.4598E+00 -1.8897E+01 -1.5574E+01 H2 3975 1.008000 0.423800 8.7064E+00 -1.7856E+01 -1.6582E+01 O6 3976 15.999400 -0.847600 -2.2576E+00 1.4814E+01 -1.1969E+01 H1 3977 1.008000 0.423800 -1.8070E+00 1.4685E+01 -1.2852E+01 H2 3978 1.008000 0.423800 -3.0558E+00 1.4215E+01 -1.1910E+01 O6 3979 15.999400 -0.847600 7.2316E+00 -1.6284E+01 1.4649E+01 H1 3980 1.008000 0.423800 6.2973E+00 -1.5975E+01 1.4472E+01 H2 3981 1.008000 0.423800 7.2461E+00 -1.7282E+01 1.4713E+01 O6 3982 15.999400 -0.847600 5.3254E+00 3.0980E+00 -4.5493E+00 H1 3983 1.008000 0.423800 5.0025E+00 2.4524E+00 -5.2414E+00 H2 3984 1.008000 0.423800 4.5407E+00 3.5127E+00 -4.0886E+00 O6 3985 15.999400 -0.847600 1.3606E+01 -1.3515E+01 -1.0941E+01 H1 3986 1.008000 0.423800 1.2975E+01 -1.4279E+01 -1.1076E+01 H2 3987 1.008000 0.423800 1.4546E+01 -1.3855E+01 -1.0945E+01 O6 3988 15.999400 -0.847600 -8.1974E+00 5.9196E+00 -5.9329E-01 H1 3989 1.008000 0.423800 -9.1389E+00 5.9659E+00 -2.5952E-01 H2 3990 1.008000 0.423800 -7.8678E+00 4.9775E+00 -5.3106E-01 O6 3991 15.999400 -0.847600 -1.3333E+01 -1.4794E+01 -7.8626E+00 H1 3992 1.008000 0.423800 -1.3366E+01 -1.4957E+01 -6.8764E+00 H2 3993 1.008000 0.423800 -1.2426E+01 -1.5033E+01 -8.2098E+00 O6 3994 15.999400 -0.847600 1.2176E+01 -8.6469E-01 -9.2180E-01 H1 3995 1.008000 0.423800 1.1411E+01 -2.2517E-01 -8.4445E-01 H2 3996 1.008000 0.423800 1.2763E+01 -5.9165E-01 -1.6840E+00 O6 3997 15.999400 -0.847600 1.2654E+01 3.0765E-01 1.8432E+00 H1 3998 1.008000 0.423800 1.2871E+01 5.4480E-02 9.0051E-01 H2 3999 1.008000 0.423800 1.1885E+01 9.4740E-01 1.8476E+00 O6 4000 15.999400 -0.847600 8.7687E+00 7.3345E+00 8.7611E+00 H1 4001 1.008000 0.423800 9.4149E+00 6.7380E+00 9.2371E+00 H2 4002 1.008000 0.423800 8.7071E+00 8.2096E+00 9.2412E+00 O6 4003 15.999400 -0.847600 6.3176E+00 -1.0684E+00 1.7490E+01 H1 4004 1.008000 0.423800 6.9150E+00 -2.6938E-01 1.7421E+01 H2 4005 1.008000 0.423800 5.4323E+00 -8.5957E-01 1.7075E+01 O6 4006 15.999400 -0.847600 -1.0618E+01 1.7153E+01 5.2307E+00 H1 4007 1.008000 0.423800 -1.1010E+01 1.6489E+01 5.8671E+00 H2 4008 1.008000 0.423800 -1.0180E+01 1.6670E+01 4.4726E+00 O6 4009 15.999400 -0.847600 -5.4169E+00 -7.8671E+00 1.7679E+01 H1 4010 1.008000 0.423800 -5.5596E+00 -7.2931E+00 1.8485E+01 H2 4011 1.008000 0.423800 -4.7935E+00 -7.4060E+00 1.7048E+01 O6 4012 15.999400 -0.847600 1.5927E+01 -2.4315E+00 -1.4260E+01 H1 4013 1.008000 0.423800 1.5847E+01 -3.4231E+00 -1.4158E+01 H2 4014 1.008000 0.423800 1.5777E+01 -2.1816E+00 -1.5217E+01 O6 4015 15.999400 -0.847600 -5.0333E+00 -1.9103E+01 8.9318E+00 H1 4016 1.008000 0.423800 -4.5060E+00 -1.8840E+01 8.1238E+00 H2 4017 1.008000 0.423800 -5.1029E+00 -1.8322E+01 9.5528E+00 O6 4018 15.999400 -0.847600 1.3002E+01 6.2423E+00 -8.6023E+00 H1 4019 1.008000 0.423800 1.3093E+01 5.2568E+00 -8.4581E+00 H2 4020 1.008000 0.423800 1.2989E+01 6.7086E+00 -7.7178E+00 O6 4021 15.999400 -0.847600 -1.8441E+01 -1.5091E+01 -1.2293E+01 H1 4022 1.008000 0.423800 -1.7875E+01 -1.4329E+01 -1.2607E+01 H2 4023 1.008000 0.423800 -1.8292E+01 -1.5235E+01 -1.1315E+01 O6 4024 15.999400 -0.847600 1.6385E+01 1.6919E+01 -1.4930E+00 H1 4025 1.008000 0.423800 1.6318E+01 1.7672E+01 -8.3888E-01 H2 4026 1.008000 0.423800 1.6392E+01 1.7285E+01 -2.4235E+00 O6 4027 15.999400 -0.847600 1.8131E+01 -1.4035E+01 1.8715E+01 H1 4028 1.008000 0.423800 1.7331E+01 -1.3455E+01 1.8873E+01 H2 4029 1.008000 0.423800 1.8795E+01 -1.3541E+01 1.8153E+01 O6 4030 15.999400 -0.847600 1.6239E+01 -1.5229E+01 -1.2843E+01 H1 4031 1.008000 0.423800 1.6591E+01 -1.4868E+01 -1.1979E+01 H2 4032 1.008000 0.423800 1.5640E+01 -1.4550E+01 -1.3268E+01 O6 4033 15.999400 -0.847600 -1.6423E+01 -2.4240E+00 -6.2082E+00 H1 4034 1.008000 0.423800 -1.7401E+01 -2.2288E+00 -6.2767E+00 H2 4035 1.008000 0.423800 -1.6231E+01 -2.8640E+00 -5.3308E+00 O6 4036 15.999400 -0.847600 1.6226E+01 -8.0919E+00 -8.2700E-03 H1 4037 1.008000 0.423800 1.5451E+01 -7.4775E+00 -1.6092E-01 H2 4038 1.008000 0.423800 1.5990E+01 -9.0104E+00 -3.2530E-01 O6 4039 15.999400 -0.847600 -4.5415E+00 -1.2200E+01 6.0389E+00 H1 4040 1.008000 0.423800 -4.5426E+00 -1.3181E+01 6.2295E+00 H2 4041 1.008000 0.423800 -3.9388E+00 -1.2011E+01 5.2634E+00 O6 4042 15.999400 -0.847600 6.1340E-01 -8.3105E+00 -3.7195E+00 H1 4043 1.008000 0.423800 1.1383E+00 -8.5176E+00 -4.5451E+00 H2 4044 1.008000 0.423800 -3.4075E-01 -8.1398E+00 -3.9654E+00 O6 4045 15.999400 -0.847600 -1.5858E+01 5.9378E+00 -1.5056E+01 H1 4046 1.008000 0.423800 -1.6016E+01 6.9194E+00 -1.4949E+01 H2 4047 1.008000 0.423800 -1.6722E+01 5.4822E+00 -1.5269E+01 O6 4048 15.999400 -0.847600 1.5619E+01 1.7536E+01 -1.7336E+01 H1 4049 1.008000 0.423800 1.6549E+01 1.7831E+01 -1.7554E+01 H2 4050 1.008000 0.423800 1.5527E+01 1.7427E+01 -1.6346E+01 O6 4051 15.999400 -0.847600 1.8403E+01 -2.8246E+00 -1.7685E+01 H1 4052 1.008000 0.423800 1.7878E+01 -2.0312E+00 -1.7993E+01 H2 4053 1.008000 0.423800 1.9315E+01 -2.8013E+00 -1.8095E+01 O6 4054 15.999400 -0.847600 6.7821E+00 1.6852E+01 9.3481E+00 H1 4055 1.008000 0.423800 6.9420E+00 1.6401E+01 8.4702E+00 H2 4056 1.008000 0.423800 5.8205E+00 1.6753E+01 9.6036E+00 O6 4057 15.999400 -0.847600 -1.2319E+01 6.3997E+00 -1.3522E+01 H1 4058 1.008000 0.423800 -1.2727E+01 5.6510E+00 -1.4044E+01 H2 4059 1.008000 0.423800 -1.2697E+01 6.4043E+00 -1.2596E+01 O6 4060 15.999400 -0.847600 -1.9524E+01 -1.8668E+01 1.4326E+01 H1 4061 1.008000 0.423800 -1.9443E+01 -1.7741E+01 1.3962E+01 H2 4062 1.008000 0.423800 1.9498E+01 -1.8629E+01 1.5323E+01 O6 4063 15.999400 -0.847600 -4.7725E+00 1.4943E+01 -5.5351E+00 H1 4064 1.008000 0.423800 -5.5757E+00 1.5537E+01 -5.5802E+00 H2 4065 1.008000 0.423800 -4.1299E+00 1.5302E+01 -4.8584E+00 O6 4066 15.999400 -0.847600 1.8496E+01 1.0544E+01 4.3007E+00 H1 4067 1.008000 0.423800 1.7647E+01 1.0956E+01 3.9709E+00 H2 4068 1.008000 0.423800 1.9257E+01 1.0843E+01 3.7254E+00 O6 4069 15.999400 -0.847600 -1.0473E+01 1.5233E+01 -1.7218E+01 H1 4070 1.008000 0.423800 -9.9837E+00 1.4765E+01 -1.6482E+01 H2 4071 1.008000 0.423800 -1.0147E+01 1.4897E+01 -1.8101E+01 O6 4072 15.999400 -0.847600 1.4588E+00 -1.5410E+01 -1.2250E+01 H1 4073 1.008000 0.423800 1.2559E+00 -1.6344E+01 -1.1957E+01 H2 4074 1.008000 0.423800 2.4495E+00 -1.5287E+01 -1.2310E+01 O6 4075 15.999400 -0.847600 -6.6473E+00 -4.0728E-01 -1.2571E+01 H1 4076 1.008000 0.423800 -6.7531E+00 1.5286E-01 -1.1749E+01 H2 4077 1.008000 0.423800 -5.6809E+00 -6.2886E-01 -1.2701E+01 O6 4078 15.999400 -0.847600 -4.7600E-01 -2.0569E+00 1.2828E+01 H1 4079 1.008000 0.423800 -1.0388E+00 -2.7274E+00 1.3311E+01 H2 4080 1.008000 0.423800 -3.1733E-01 -1.2664E+00 1.3419E+01 O6 4081 15.999400 -0.847600 -2.9459E+00 1.4895E+01 1.8587E+01 H1 4082 1.008000 0.423800 -2.6852E+00 1.3930E+01 1.8605E+01 H2 4083 1.008000 0.423800 -3.8090E+00 1.5017E+01 1.9077E+01 O6 4084 15.999400 -0.847600 -1.8643E+01 5.3887E+00 -1.4389E+00 H1 4085 1.008000 0.423800 -1.9459E+01 5.9505E+00 -1.5746E+00 H2 4086 1.008000 0.423800 -1.7857E+01 5.8349E+00 -1.8660E+00 O6 4087 15.999400 -0.847600 -1.6445E+01 1.1964E+01 4.5756E+00 H1 4088 1.008000 0.423800 -1.7076E+01 1.1623E+01 5.2732E+00 H2 4089 1.008000 0.423800 -1.5673E+01 1.1334E+01 4.4875E+00 O6 4090 15.999400 -0.847600 -1.2867E+01 -6.3148E+00 5.0992E-02 H1 4091 1.008000 0.423800 -1.2855E+01 -5.9335E+00 -8.7341E-01 H2 4092 1.008000 0.423800 -1.2449E+01 -5.6647E+00 6.8531E-01 O6 4093 15.999400 -0.847600 -1.0418E+01 -9.5188E+00 -1.8211E+01 H1 4094 1.008000 0.423800 -9.5357E+00 -9.0651E+00 -1.8337E+01 H2 4095 1.008000 0.423800 -1.0308E+01 -1.0293E+01 -1.7588E+01 O6 4096 15.999400 -0.847600 -5.7223E+00 5.1752E-01 -1.7993E+01 H1 4097 1.008000 0.423800 -6.5017E+00 1.0552E+00 -1.8314E+01 H2 4098 1.008000 0.423800 -5.5415E+00 -2.2571E-01 -1.8637E+01 O6 4099 15.999400 -0.847600 1.7072E+01 2.6571E+00 8.7788E-01 H1 4100 1.008000 0.423800 1.7778E+01 3.3411E+00 1.0604E+00 H2 4101 1.008000 0.423800 1.6496E+01 2.9663E+00 1.2102E-01 O6 4102 15.999400 -0.847600 2.0991E+00 -1.2947E+01 1.1488E+01 H1 4103 1.008000 0.423800 2.9542E+00 -1.2538E+01 1.1169E+01 H2 4104 1.008000 0.423800 1.3983E+00 -1.2238E+01 1.1564E+01 O6 4105 15.999400 -0.847600 1.5164E+01 -7.0555E-01 3.9592E+00 H1 4106 1.008000 0.423800 1.5081E+01 -1.6678E+00 3.6999E+00 H2 4107 1.008000 0.423800 1.5205E+01 -1.4071E-01 3.1351E+00 O6 4108 15.999400 -0.847600 1.9168E+01 3.9355E+00 1.1519E+01 H1 4109 1.008000 0.423800 1.8366E+01 3.9143E+00 1.2116E+01 H2 4110 1.008000 0.423800 1.8965E+01 4.4843E+00 1.0708E+01 O6 4111 15.999400 -0.847600 1.7452E+01 -8.9427E+00 1.7256E+01 H1 4112 1.008000 0.423800 1.8046E+01 -8.6405E+00 1.6511E+01 H2 4113 1.008000 0.423800 1.7149E+01 -9.8798E+00 1.7082E+01 O6 4114 15.999400 -0.847600 -5.7022E+00 -2.5263E+00 -1.5686E+01 H1 4115 1.008000 0.423800 -6.0984E+00 -3.4280E+00 -1.5513E+01 H2 4116 1.008000 0.423800 -5.0496E+00 -2.5885E+00 -1.6441E+01 O6 4117 15.999400 -0.847600 -8.4149E+00 1.1411E+01 8.3687E+00 H1 4118 1.008000 0.423800 -7.4425E+00 1.1542E+01 8.5615E+00 H2 4119 1.008000 0.423800 -8.9477E+00 1.2103E+01 8.8553E+00 O6 4120 15.999400 -0.847600 1.1079E+01 9.9817E+00 -1.0341E+01 H1 4121 1.008000 0.423800 1.0246E+01 1.0147E+01 -9.8123E+00 H2 4122 1.008000 0.423800 1.0840E+01 9.8366E+00 -1.1301E+01 O6 4123 15.999400 -0.847600 1.5434E+00 -1.1795E-02 1.1105E+01 H1 4124 1.008000 0.423800 2.1317E+00 7.9667E-01 1.1122E+01 H2 4125 1.008000 0.423800 2.0236E+00 -7.6378E-01 1.0653E+01 O6 4126 15.999400 -0.847600 1.5025E+01 4.9303E+00 9.2925E+00 H1 4127 1.008000 0.423800 1.4618E+01 4.2762E+00 9.9303E+00 H2 4128 1.008000 0.423800 1.5949E+01 5.1619E+00 9.5967E+00 O6 4129 15.999400 -0.847600 -3.2171E+00 1.8087E+01 9.8802E+00 H1 4130 1.008000 0.423800 -4.0355E+00 1.8616E+01 9.6574E+00 H2 4131 1.008000 0.423800 -3.2332E+00 1.7222E+01 9.3786E+00 O6 4132 15.999400 -0.847600 1.4296E+01 1.3869E+01 -7.7919E+00 H1 4133 1.008000 0.423800 1.3533E+01 1.4503E+01 -7.6656E+00 H2 4134 1.008000 0.423800 1.4167E+01 1.3070E+01 -7.2045E+00 O6 4135 15.999400 -0.847600 -1.6363E+00 -1.4492E+01 -4.2655E+00 H1 4136 1.008000 0.423800 -2.4900E+00 -1.4463E+01 -3.7454E+00 H2 4137 1.008000 0.423800 -8.6213E-01 -1.4387E+01 -3.6414E+00 O6 4138 15.999400 -0.847600 8.5299E+00 1.5798E+01 1.8315E+01 H1 4139 1.008000 0.423800 8.2335E+00 1.6381E+01 1.9071E+01 H2 4140 1.008000 0.423800 9.2343E+00 1.6271E+01 1.7786E+01 O6 4141 15.999400 -0.847600 4.4189E+00 6.1086E+00 -1.6981E+01 H1 4142 1.008000 0.423800 3.7045E+00 5.4249E+00 -1.7129E+01 H2 4143 1.008000 0.423800 4.0016E+00 6.9673E+00 -1.6683E+01 O6 4144 15.999400 -0.847600 -1.2521E+01 -1.2668E+01 1.2808E+01 H1 4145 1.008000 0.423800 -1.3369E+01 -1.2507E+01 1.2302E+01 H2 4146 1.008000 0.423800 -1.2042E+01 -1.3452E+01 1.2414E+01 O6 4147 15.999400 -0.847600 4.3211E+00 1.1696E+01 -1.8763E+01 H1 4148 1.008000 0.423800 3.5415E+00 1.2186E+01 -1.9152E+01 H2 4149 1.008000 0.423800 4.1306E+00 1.1472E+01 -1.7807E+01 O6 4150 15.999400 -0.847600 -1.9243E+01 -1.2786E+01 1.0508E+01 H1 4151 1.008000 0.423800 -1.9109E+01 -1.2252E+01 1.1343E+01 H2 4152 1.008000 0.423800 1.8893E+01 -1.2744E+01 1.0237E+01 O6 4153 15.999400 -0.847600 5.9323E+00 4.0074E+00 -4.5528E-01 H1 4154 1.008000 0.423800 5.8405E+00 3.6174E+00 4.6095E-01 H2 4155 1.008000 0.423800 5.1542E+00 3.7259E+00 -1.0168E+00 O6 4156 15.999400 -0.847600 1.4508E+01 2.4392E+00 2.7096E+00 H1 4157 1.008000 0.423800 1.3740E+01 1.8474E+00 2.4657E+00 H2 4158 1.008000 0.423800 1.5213E+01 2.3789E+00 2.0027E+00 O6 4159 15.999400 -0.847600 1.1165E+01 1.9211E+01 -1.5262E+01 H1 4160 1.008000 0.423800 1.0935E+01 1.8375E+01 -1.4763E+01 H2 4161 1.008000 0.423800 1.2128E+01 1.9185E+01 -1.5529E+01 O6 4162 15.999400 -0.847600 1.6207E+01 -5.2401E+00 -1.1315E+01 H1 4163 1.008000 0.423800 1.6996E+01 -4.8770E+00 -1.1811E+01 H2 4164 1.008000 0.423800 1.6212E+01 -6.2388E+00 -1.1366E+01 O6 4165 15.999400 -0.847600 6.0676E+00 7.9473E+00 -2.9451E+00 H1 4166 1.008000 0.423800 6.5628E+00 8.8084E+00 -2.8298E+00 H2 4167 1.008000 0.423800 6.3692E+00 7.2939E+00 -2.2508E+00 O6 4168 15.999400 -0.847600 1.3488E+01 4.5490E-01 1.5444E+01 H1 4169 1.008000 0.423800 1.2553E+01 4.5561E-01 1.5089E+01 H2 4170 1.008000 0.423800 1.3776E+01 1.3949E+00 1.5627E+01 O6 4171 15.999400 -0.847600 1.1947E+01 -1.9139E+01 -1.0226E+01 H1 4172 1.008000 0.423800 1.2151E+01 -1.8333E+01 -9.6711E+00 H2 4173 1.008000 0.423800 1.1006E+01 -1.9431E+01 -1.0056E+01 O6 4174 15.999400 -0.847600 7.8177E+00 3.2137E+00 -1.6248E+01 H1 4175 1.008000 0.423800 8.4435E+00 3.0291E+00 -1.5490E+01 H2 4176 1.008000 0.423800 7.8431E+00 4.1881E+00 -1.6472E+01 O6 4177 15.999400 -0.847600 1.5454E+00 -1.5837E+01 -3.5521E+00 H1 4178 1.008000 0.423800 2.4257E+00 -1.5923E+01 -3.0857E+00 H2 4179 1.008000 0.423800 1.1568E+00 -1.4934E+01 -3.3674E+00 O6 4180 15.999400 -0.847600 -6.2665E+00 -5.6200E+00 1.4543E+01 H1 4181 1.008000 0.423800 -6.7320E+00 -5.0362E+00 1.5209E+01 H2 4182 1.008000 0.423800 -6.7925E+00 -6.4601E+00 1.4412E+01 O6 4183 15.999400 -0.847600 1.7969E+01 -1.7381E+01 -1.2063E+01 H1 4184 1.008000 0.423800 1.8349E+01 -1.7830E+01 -1.2872E+01 H2 4185 1.008000 0.423800 1.7284E+01 -1.6709E+01 -1.2345E+01 O6 4186 15.999400 -0.847600 1.5070E+01 1.8621E+01 1.7872E+01 H1 4187 1.008000 0.423800 1.6068E+01 1.8593E+01 1.7823E+01 H2 4188 1.008000 0.423800 1.4703E+01 1.7699E+01 1.7746E+01 O6 4189 15.999400 -0.847600 -1.5303E+01 -1.6499E+01 -6.5502E+00 H1 4190 1.008000 0.423800 -1.4703E+01 -1.5911E+01 -6.0075E+00 H2 4191 1.008000 0.423800 -1.6031E+01 -1.6861E+01 -5.9679E+00 O6 4192 15.999400 -0.847600 3.5248E+00 1.4004E+01 -6.4861E+00 H1 4193 1.008000 0.423800 2.5749E+00 1.4302E+01 -6.3904E+00 H2 4194 1.008000 0.423800 3.5464E+00 1.3052E+01 -6.7916E+00 O6 4195 15.999400 -0.847600 -1.9159E+01 -1.5140E+01 9.4830E+00 H1 4196 1.008000 0.423800 1.9032E+01 -1.5550E+01 9.5833E+00 H2 4197 1.008000 0.423800 -1.9186E+01 -1.4191E+01 9.7979E+00 O6 4198 15.999400 -0.847600 -9.7187E+00 1.1482E+01 -5.8084E+00 H1 4199 1.008000 0.423800 -1.0391E+01 1.0783E+01 -5.5655E+00 H2 4200 1.008000 0.423800 -9.9880E+00 1.2358E+01 -5.4071E+00 O6 4201 15.999400 -0.847600 -5.7047E+00 6.0337E-01 -3.7207E+00 H1 4202 1.008000 0.423800 -6.3327E+00 1.1233E+00 -3.1417E+00 H2 4203 1.008000 0.423800 -5.9190E+00 -3.7108E-01 -3.6536E+00 O6 4204 15.999400 -0.847600 4.5669E+00 -6.4846E+00 9.2219E+00 H1 4205 1.008000 0.423800 4.6860E+00 -7.3522E+00 9.7048E+00 H2 4206 1.008000 0.423800 4.0188E+00 -6.6338E+00 8.3990E+00 O6 4207 15.999400 -0.847600 3.4280E-01 -1.4984E+01 1.7596E+01 H1 4208 1.008000 0.423800 4.6543E-01 -1.5954E+01 1.7802E+01 H2 4209 1.008000 0.423800 5.4840E-02 -1.4878E+01 1.6645E+01 O6 4210 15.999400 -0.847600 1.3782E+01 1.1670E+01 -6.4252E+00 H1 4211 1.008000 0.423800 1.3512E+01 1.1349E+01 -5.5176E+00 H2 4212 1.008000 0.423800 1.2970E+01 1.1767E+01 -7.0002E+00 O6 4213 15.999400 -0.847600 1.9131E+01 9.7760E-01 -1.8528E+01 H1 4214 1.008000 0.423800 1.8153E+01 1.0580E+00 -1.8334E+01 H2 4215 1.008000 0.423800 1.9292E+01 1.7752E-01 -1.9106E+01 O6 4216 15.999400 -0.847600 1.9402E+01 -3.6345E+00 -3.8236E+00 H1 4217 1.008000 0.423800 -1.8839E+01 -4.0788E+00 -3.5591E+00 H2 4218 1.008000 0.423800 -1.9508E+01 -2.9348E+00 -4.5132E+00 O6 4219 15.999400 -0.847600 2.8448E+00 3.1771E+00 7.8982E+00 H1 4220 1.008000 0.423800 1.8512E+00 3.2285E+00 7.9997E+00 H2 4221 1.008000 0.423800 3.2762E+00 3.8528E+00 8.4960E+00 O6 4222 15.999400 -0.847600 1.5821E+01 8.1201E+00 6.9779E+00 H1 4223 1.008000 0.423800 1.5211E+01 7.4148E+00 6.6163E+00 H2 4224 1.008000 0.423800 1.5430E+01 9.0227E+00 6.7992E+00 O6 4225 15.999400 -0.847600 -6.9137E+00 -1.8676E+01 -8.5747E+00 H1 4226 1.008000 0.423800 -7.0670E+00 -1.8854E+01 -9.5467E+00 H2 4227 1.008000 0.423800 -6.0811E+00 -1.8133E+01 -8.4626E+00 O6 4228 15.999400 -0.847600 5.7671E+00 -8.9022E+00 -1.5636E+01 H1 4229 1.008000 0.423800 6.3950E+00 -8.1238E+00 -1.5635E+01 H2 4230 1.008000 0.423800 4.8254E+00 -8.5705E+00 -1.5693E+01 O6 4231 15.999400 -0.847600 -1.4176E+01 -7.0040E+00 -4.2780E+00 H1 4232 1.008000 0.423800 -1.5118E+01 -7.1619E+00 -4.5731E+00 H2 4233 1.008000 0.423800 -1.3682E+01 -6.5060E+00 -4.9910E+00 O6 4234 15.999400 -0.847600 1.0651E+01 1.7146E+01 -1.3818E+01 H1 4235 1.008000 0.423800 1.1279E+01 1.6984E+01 -1.3056E+01 H2 4236 1.008000 0.423800 1.0496E+01 1.6290E+01 -1.4311E+01 O6 4237 15.999400 -0.847600 1.3487E+01 -4.0310E+00 1.0963E+00 H1 4238 1.008000 0.423800 1.3072E+01 -3.1471E+00 1.3126E+00 H2 4239 1.008000 0.423800 1.4050E+01 -3.9428E+00 2.7459E-01 O6 4240 15.999400 -0.847600 -1.5102E+01 -1.7778E+01 9.9998E+00 H1 4241 1.008000 0.423800 -1.5000E+01 -1.7374E+01 1.0909E+01 H2 4242 1.008000 0.423800 -1.4525E+01 -1.7284E+01 9.3494E+00 O6 4243 15.999400 -0.847600 -1.7635E+01 -1.9817E+00 4.3324E+00 H1 4244 1.008000 0.423800 -1.6663E+01 -2.1468E+00 4.5031E+00 H2 4245 1.008000 0.423800 -1.7812E+01 -2.0223E+00 3.3491E+00 O6 4246 15.999400 -0.847600 -1.7087E+01 6.7491E+00 -3.4671E+00 H1 4247 1.008000 0.423800 -1.6141E+01 6.4293E+00 -3.4071E+00 H2 4248 1.008000 0.423800 -1.7494E+01 6.4266E+00 -4.3215E+00 O6 4249 15.999400 -0.847600 -1.6204E+01 -1.3709E+01 1.0229E+01 H1 4250 1.008000 0.423800 -1.6163E+01 -1.2938E+01 9.5932E+00 H2 4251 1.008000 0.423800 -1.6379E+01 -1.4552E+01 9.7191E+00 O6 4252 15.999400 -0.847600 1.9437E+01 6.3517E+00 2.7919E+00 H1 4253 1.008000 0.423800 1.8501E+01 6.4977E+00 3.1136E+00 H2 4254 1.008000 0.423800 -1.9163E+01 7.2185E+00 2.8118E+00 O6 4255 15.999400 -0.847600 -1.1330E+01 -1.6819E+01 -5.9127E+00 H1 4256 1.008000 0.423800 -1.0697E+01 -1.6056E+01 -5.7810E+00 H2 4257 1.008000 0.423800 -1.1068E+01 -1.7576E+01 -5.3142E+00 O6 4258 15.999400 -0.847600 7.0917E+00 1.2755E+01 -6.1784E+00 H1 4259 1.008000 0.423800 7.2289E+00 1.3308E+01 -5.3564E+00 H2 4260 1.008000 0.423800 6.7406E+00 1.3334E+01 -6.9144E+00 O6 4261 15.999400 -0.847600 -2.6240E+00 -5.8830E+00 -7.7740E+00 H1 4262 1.008000 0.423800 -3.5903E+00 -6.0233E+00 -7.5580E+00 H2 4263 1.008000 0.423800 -2.3012E+00 -6.6283E+00 -8.3573E+00 O6 4264 15.999400 -0.847600 1.8769E-01 -1.8553E+01 -1.1963E+01 H1 4265 1.008000 0.423800 3.5047E-01 -1.9539E+01 -1.1990E+01 H2 4266 1.008000 0.423800 -5.3773E-02 -1.8279E+01 -1.1032E+01 O6 4267 15.999400 -0.847600 -8.3594E+00 -4.8667E+00 7.0963E+00 H1 4268 1.008000 0.423800 -9.1582E+00 -5.2999E+00 7.5137E+00 H2 4269 1.008000 0.423800 -8.2875E+00 -5.1512E+00 6.1403E+00 O6 4270 15.999400 -0.847600 1.0677E+01 -1.8386E+01 1.3189E+01 H1 4271 1.008000 0.423800 1.1239E+01 -1.8512E+01 1.2372E+01 H2 4272 1.008000 0.423800 1.1168E+01 -1.8732E+01 1.3988E+01 O6 4273 15.999400 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1.2142E+01 7.8901E+00 H2 4290 1.008000 0.423800 -1.3146E+01 1.0615E+01 7.3883E+00 O6 4291 15.999400 -0.847600 -1.9731E+00 1.8465E+01 -1.1563E+00 H1 4292 1.008000 0.423800 -1.8883E+00 1.9407E+01 -8.2992E-01 H2 4293 1.008000 0.423800 -2.3946E+00 1.8464E+01 -2.0631E+00 O6 4294 15.999400 -0.847600 -1.0942E+01 -1.4098E+01 -1.7049E+01 H1 4295 1.008000 0.423800 -1.0974E+01 -1.3108E+01 -1.6914E+01 H2 4296 1.008000 0.423800 -1.0023E+01 -1.4365E+01 -1.7342E+01 O6 4297 15.999400 -0.847600 -1.1593E+01 -8.4893E+00 9.4489E-01 H1 4298 1.008000 0.423800 -1.2017E+01 -7.6567E+00 5.8868E-01 H2 4299 1.008000 0.423800 -1.1406E+01 -8.3768E+00 1.9207E+00 O6 4300 15.999400 -0.847600 1.1056E+01 -1.5685E+01 1.9546E+01 H1 4301 1.008000 0.423800 1.2019E+01 -1.5764E+01 -1.9293E+01 H2 4302 1.008000 0.423800 1.0873E+01 -1.6270E+01 1.8756E+01 O6 4303 15.999400 -0.847600 1.2554E+01 -9.7943E+00 2.3521E+00 H1 4304 1.008000 0.423800 1.2307E+01 -9.2305E+00 1.5637E+00 H2 4305 1.008000 0.423800 1.2473E+01 -1.0761E+01 2.1088E+00 O6 4306 15.999400 -0.847600 8.0043E+00 7.4938E+00 6.0416E+00 H1 4307 1.008000 0.423800 8.4190E+00 7.2279E+00 6.9119E+00 H2 4308 1.008000 0.423800 7.5100E+00 6.7147E+00 5.6562E+00 O6 4309 15.999400 -0.847600 2.5458E+00 4.2248E+00 -1.7508E+01 H1 4310 1.008000 0.423800 2.5878E+00 3.2997E+00 -1.7131E+01 H2 4311 1.008000 0.423800 1.6152E+00 4.5796E+00 -1.7418E+01 O6 4312 15.999400 -0.847600 -1.1189E+01 5.9768E+00 1.0952E+01 H1 4313 1.008000 0.423800 -1.1668E+01 5.9482E+00 1.0074E+01 H2 4314 1.008000 0.423800 -1.1633E+01 6.6423E+00 1.1552E+01 O6 4315 15.999400 -0.847600 -1.2752E+01 -1.1911E+01 2.2404E+00 H1 4316 1.008000 0.423800 -1.3511E+01 -1.1275E+01 2.1007E+00 H2 4317 1.008000 0.423800 -1.1926E+01 -1.1398E+01 2.4719E+00 O6 4318 15.999400 -0.847600 1.2328E+01 2.2908E+00 -1.7566E+01 H1 4319 1.008000 0.423800 1.2226E+01 1.7722E+00 -1.8415E+01 H2 4320 1.008000 0.423800 1.1698E+01 3.0673E+00 -1.7572E+01 O6 4321 15.999400 -0.847600 -6.6823E+00 9.2446E+00 1.0996E+01 H1 4322 1.008000 0.423800 -5.9345E+00 8.6029E+00 1.0826E+01 H2 4323 1.008000 0.423800 -6.4115E+00 1.0159E+01 1.0696E+01 O6 4324 15.999400 -0.847600 -1.3736E+00 1.6772E+01 -6.7759E+00 H1 4325 1.008000 0.423800 -2.2822E+00 1.6418E+01 -6.9977E+00 H2 4326 1.008000 0.423800 -8.2405E-01 1.6045E+01 -6.3642E+00 O6 4327 15.999400 -0.847600 7.6403E+00 -6.1418E+00 -5.8251E-01 H1 4328 1.008000 0.423800 7.8991E+00 -6.8107E+00 1.1434E-01 H2 4329 1.008000 0.423800 6.9251E+00 -5.5437E+00 -2.2100E-01 O6 4330 15.999400 -0.847600 -1.7152E+01 4.4962E-01 1.5353E+01 H1 4331 1.008000 0.423800 -1.6263E+01 3.4256E-01 1.5799E+01 H2 4332 1.008000 0.423800 -1.7598E+01 1.2771E+00 1.5694E+01 O6 4333 15.999400 -0.847600 -1.0731E+01 -1.8196E+01 -1.0900E+01 H1 4334 1.008000 0.423800 -1.1715E+01 -1.8056E+01 -1.1011E+01 H2 4335 1.008000 0.423800 -1.0283E+01 -1.8134E+01 -1.1792E+01 O6 4336 15.999400 -0.847600 -9.2779E+00 1.1540E+01 -1.4321E+01 H1 4337 1.008000 0.423800 -1.0230E+01 1.1611E+01 -1.4023E+01 H2 4338 1.008000 0.423800 -8.7960E+00 1.2389E+01 -1.4102E+01 O6 4339 15.999400 -0.847600 4.2172E+00 1.0621E+01 4.1053E+00 H1 4340 1.008000 0.423800 3.4585E+00 1.0754E+01 3.4676E+00 H2 4341 1.008000 0.423800 4.5062E+00 9.6641E+00 4.0844E+00 O6 4342 15.999400 -0.847600 4.5851E+00 1.3109E+01 1.0223E+01 H1 4343 1.008000 0.423800 5.1366E+00 1.3615E+01 9.5600E+00 H2 4344 1.008000 0.423800 3.9102E+00 1.2552E+01 9.7397E+00 O6 4345 15.999400 -0.847600 -1.3816E+01 1.0816E+01 -2.6161E+00 H1 4346 1.008000 0.423800 -1.3370E+01 1.1657E+01 -2.3067E+00 H2 4347 1.008000 0.423800 -1.4808E+01 1.0926E+01 -2.5627E+00 O6 4348 15.999400 -0.847600 1.2056E+01 -1.7997E+01 -1.3157E+00 H1 4349 1.008000 0.423800 1.1764E+01 -1.7483E+01 -2.1223E+00 H2 4350 1.008000 0.423800 1.2770E+01 -1.7487E+01 -8.3652E-01 O6 4351 15.999400 -0.847600 -7.9973E+00 3.5553E+00 2.5127E+00 H1 4352 1.008000 0.423800 -8.9523E+00 3.2858E+00 2.3885E+00 H2 4353 1.008000 0.423800 -7.4913E+00 3.3891E+00 1.6663E+00 O6 4354 15.999400 -0.847600 4.0929E+00 -1.0910E+01 1.4341E+01 H1 4355 1.008000 0.423800 4.3864E+00 -9.9992E+00 1.4631E+01 H2 4356 1.008000 0.423800 4.8412E+00 -1.1362E+01 1.3856E+01 O6 4357 15.999400 -0.847600 7.4713E+00 -7.2520E+00 1.5192E+01 H1 4358 1.008000 0.423800 7.2158E+00 -6.5481E+00 1.5855E+01 H2 4359 1.008000 0.423800 8.1232E+00 -7.8837E+00 1.5611E+01 O6 4360 15.999400 -0.847600 2.6573E+00 -6.3886E-01 -8.4350E+00 H1 4361 1.008000 0.423800 1.8553E+00 -7.2231E-02 -8.2459E+00 H2 4362 1.008000 0.423800 3.4683E+00 -2.1290E-01 -8.0340E+00 O6 4363 15.999400 -0.847600 -1.8191E+01 1.4593E+01 1.3099E+01 H1 4364 1.008000 0.423800 -1.8451E+01 1.4341E+01 1.4031E+01 H2 4365 1.008000 0.423800 -1.7935E+01 1.3771E+01 1.2590E+01 O6 4366 15.999400 -0.847600 4.5155E+00 -2.4367E+00 1.0726E+01 H1 4367 1.008000 0.423800 3.5735E+00 -2.7597E+00 1.0818E+01 H2 4368 1.008000 0.423800 4.7957E+00 -1.9813E+00 1.1571E+01 O6 4369 15.999400 -0.847600 -1.6175E+01 -1.4433E+01 4.1742E+00 H1 4370 1.008000 0.423800 -1.6542E+01 -1.5338E+01 3.9608E+00 H2 4371 1.008000 0.423800 -1.5207E+01 -1.4399E+01 3.9274E+00 O6 4372 15.999400 -0.847600 1.5055E+00 -2.6710E+00 -1.7316E+01 H1 4373 1.008000 0.423800 2.1579E+00 -2.8675E+00 -1.6584E+01 H2 4374 1.008000 0.423800 7.4992E-01 -2.1266E+00 -1.6952E+01 O6 4375 15.999400 -0.847600 -1.0158E+01 -5.1279E+00 -1.4315E+00 H1 4376 1.008000 0.423800 -9.6758E+00 -5.9586E+00 -1.1533E+00 H2 4377 1.008000 0.423800 -1.1003E+01 -5.3761E+00 -1.9059E+00 O6 4378 15.999400 -0.847600 -8.0781E-01 2.5166E+00 -9.4311E+00 H1 4379 1.008000 0.423800 -1.6429E+00 2.5252E+00 -8.8810E+00 H2 4380 1.008000 0.423800 -9.7258E-01 2.0130E+00 -1.0279E+01 O6 4381 15.999400 -0.847600 1.4750E+01 -9.7533E+00 8.6551E+00 H1 4382 1.008000 0.423800 1.4726E+01 -1.0453E+01 7.9412E+00 H2 4383 1.008000 0.423800 1.5528E+01 -9.9213E+00 9.2606E+00 O6 4384 15.999400 -0.847600 1.3285E+01 1.7205E+01 -4.9809E+00 H1 4385 1.008000 0.423800 1.4202E+01 1.6892E+01 -5.2298E+00 H2 4386 1.008000 0.423800 1.3219E+01 1.7284E+01 -3.9863E+00 O6 4387 15.999400 -0.847600 1.4782E+00 -9.2356E+00 -6.1031E+00 H1 4388 1.008000 0.423800 2.0113E+00 -9.3707E+00 -6.9383E+00 H2 4389 1.008000 0.423800 9.8457E-01 -1.0077E+01 -5.8831E+00 O6 4390 15.999400 -0.847600 1.6034E+01 1.0442E+01 -1.7188E+01 H1 4391 1.008000 0.423800 1.6840E+01 1.0546E+01 -1.6606E+01 H2 4392 1.008000 0.423800 1.5600E+01 9.5605E+00 -1.7001E+01 O6 4393 15.999400 -0.847600 -8.9817E+00 1.3516E+01 1.3264E+01 H1 4394 1.008000 0.423800 -8.0602E+00 1.3690E+01 1.2917E+01 H2 4395 1.008000 0.423800 -9.4018E+00 1.4379E+01 1.3542E+01 O6 4396 15.999400 -0.847600 -1.5930E+00 -4.6665E+00 9.4645E+00 H1 4397 1.008000 0.423800 -6.0998E-01 -4.7058E+00 9.2852E+00 H2 4398 1.008000 0.423800 -1.7599E+00 -4.1272E+00 1.0290E+01 O6 4399 15.999400 -0.847600 1.7915E+01 -1.8736E+01 -6.9938E+00 H1 4400 1.008000 0.423800 1.8467E+01 -1.9450E+01 -7.4241E+00 H2 4401 1.008000 0.423800 1.6948E+01 -1.8897E+01 -7.1934E+00 O6 4402 15.999400 -0.847600 1.0480E+01 -1.2227E+01 4.7014E+00 H1 4403 1.008000 0.423800 1.0471E+01 -1.1238E+01 4.5579E+00 H2 4404 1.008000 0.423800 9.5921E+00 -1.2609E+01 4.4432E+00 O6 4405 15.999400 -0.847600 -3.6428E+00 -2.5218E+00 8.8259E+00 H1 4406 1.008000 0.423800 -3.6961E+00 -2.5381E+00 7.8274E+00 H2 4407 1.008000 0.423800 -3.0917E+00 -3.2937E+00 9.1429E+00 O6 4408 15.999400 -0.847600 1.5000E+01 -1.1232E+01 -1.2442E+01 H1 4409 1.008000 0.423800 1.5004E+01 -1.1660E+01 -1.3346E+01 H2 4410 1.008000 0.423800 1.4157E+01 -1.1474E+01 -1.1963E+01 O6 4411 15.999400 -0.847600 -9.4132E+00 -7.8532E+00 -9.2551E+00 H1 4412 1.008000 0.423800 -8.7468E+00 -7.3617E+00 -9.8157E+00 H2 4413 1.008000 0.423800 -9.9956E+00 -7.1960E+00 -8.7767E+00 O6 4414 15.999400 -0.847600 2.2086E+00 5.0820E+00 -1.1818E+01 H1 4415 1.008000 0.423800 3.1618E+00 5.3684E+00 -1.1915E+01 H2 4416 1.008000 0.423800 1.9809E+00 4.4301E+00 -1.2541E+01 O6 4417 15.999400 -0.847600 -1.2935E+01 -1.1001E+01 -1.8989E+01 H1 4418 1.008000 0.423800 -1.2643E+01 -1.1523E+01 1.9307E+01 H2 4419 1.008000 0.423800 -1.2263E+01 -1.0287E+01 -1.8794E+01 O6 4420 15.999400 -0.847600 -4.9780E+00 -1.9178E+01 1.3386E+01 H1 4421 1.008000 0.423800 -4.8554E+00 -1.9425E+01 1.4347E+01 H2 4422 1.008000 0.423800 -5.9542E+00 -1.9149E+01 1.3171E+01 O6 4423 15.999400 -0.847600 3.5930E+00 -2.8616E+00 4.2511E-01 H1 4424 1.008000 0.423800 3.3015E+00 -2.3708E+00 -3.9599E-01 H2 4425 1.008000 0.423800 3.3761E+00 -2.3156E+00 1.2343E+00 O6 4426 15.999400 -0.847600 6.7693E+00 -3.9033E+00 -8.1147E+00 H1 4427 1.008000 0.423800 7.2940E+00 -3.0569E+00 -8.0235E+00 H2 4428 1.008000 0.423800 5.9198E+00 -3.7172E+00 -8.6085E+00 O6 4429 15.999400 -0.847600 -1.0998E+01 -1.0229E+01 -1.4432E+01 H1 4430 1.008000 0.423800 -1.1909E+01 -1.0640E+01 -1.4392E+01 H2 4431 1.008000 0.423800 -1.0638E+01 -1.0127E+01 -1.3505E+01 O6 4432 15.999400 -0.847600 -1.5189E+01 -8.6385E+00 -1.6949E+01 H1 4433 1.008000 0.423800 -1.5688E+01 -8.3888E+00 -1.6119E+01 H2 4434 1.008000 0.423800 -1.5718E+01 -9.3114E+00 -1.7466E+01 O6 4435 15.999400 -0.847600 -5.8061E+00 -7.5861E+00 -6.9633E+00 H1 4436 1.008000 0.423800 -5.3696E+00 -8.0318E+00 -6.1817E+00 H2 4437 1.008000 0.423800 -6.3938E+00 -8.2428E+00 -7.4359E+00 O6 4438 15.999400 -0.847600 -1.2178E+01 9.1536E+00 -1.8267E+01 H1 4439 1.008000 0.423800 -1.2828E+01 8.9128E+00 -1.7546E+01 H2 4440 1.008000 0.423800 -1.1675E+01 9.9753E+00 -1.8000E+01 O6 4441 15.999400 -0.847600 1.6661E+01 1.4802E+01 1.9349E+01 H1 4442 1.008000 0.423800 1.6062E+01 1.4139E+01 -1.9299E+01 H2 4443 1.008000 0.423800 1.6123E+01 1.5364E+01 1.8720E+01 O6 4444 15.999400 -0.847600 5.4061E+00 1.5034E+01 1.4581E+01 H1 4445 1.008000 0.423800 5.4787E+00 1.4153E+01 1.4115E+01 H2 4446 1.008000 0.423800 6.0495E+00 1.5061E+01 1.5346E+01 O6 4447 15.999400 -0.847600 -5.3799E-03 -1.5149E+00 7.6319E+00 H1 4448 1.008000 0.423800 -5.8903E-01 -2.3232E+00 7.5549E+00 H2 4449 1.008000 0.423800 9.4717E-01 -1.7754E+00 7.4745E+00 O6 4450 15.999400 -0.847600 -8.7929E-01 1.7575E+01 6.2016E+00 H1 4451 1.008000 0.423800 -1.8933E-01 1.7926E+01 5.5690E+00 H2 4452 1.008000 0.423800 -1.3563E+00 1.8340E+01 6.6337E+00 O6 4453 15.999400 -0.847600 -6.0390E+00 -1.5675E+01 5.0568E+00 H1 4454 1.008000 0.423800 -5.4062E+00 -1.5874E+01 4.3085E+00 H2 4455 1.008000 0.423800 -5.5249E+00 -1.5563E+01 5.9073E+00 O6 4456 15.999400 -0.847600 9.5657E+00 1.0444E+01 1.7045E+01 H1 4457 1.008000 0.423800 1.0401E+01 1.0192E+01 1.7533E+01 H2 4458 1.008000 0.423800 9.2708E+00 1.1354E+01 1.7336E+01 O6 4459 15.999400 -0.847600 -1.0040E+01 -1.5385E+01 1.4491E+01 H1 4460 1.008000 0.423800 -9.3610E+00 -1.6104E+01 1.4341E+01 H2 4461 1.008000 0.423800 -9.9642E+00 -1.4699E+01 1.3767E+01 O6 4462 15.999400 -0.847600 -1.7393E+01 8.8376E+00 -1.7767E+00 H1 4463 1.008000 0.423800 -1.7177E+01 8.0459E+00 -2.3485E+00 H2 4464 1.008000 0.423800 -1.7200E+01 8.6198E+00 -8.1989E-01 O6 4465 15.999400 -0.847600 5.1670E+00 1.8348E+01 -5.1897E+00 H1 4466 1.008000 0.423800 5.2305E+00 1.7372E+01 -5.3967E+00 H2 4467 1.008000 0.423800 5.8464E+00 1.8586E+01 -4.4958E+00 O6 4468 15.999400 -0.847600 -2.1901E+00 -7.3739E+00 -1.8000E+01 H1 4469 1.008000 0.423800 -2.9811E+00 -7.9844E+00 -1.8040E+01 H2 4470 1.008000 0.423800 -2.1529E+00 -6.8212E+00 -1.8833E+01 O6 4471 15.999400 -0.847600 9.5097E+00 8.2871E+00 -7.1266E+00 H1 4472 1.008000 0.423800 9.8948E+00 7.7184E+00 -6.3998E+00 H2 4473 1.008000 0.423800 8.7091E+00 7.8323E+00 -7.5168E+00 O6 4474 15.999400 -0.847600 -1.7925E+01 -1.0207E+01 -4.7603E+00 H1 4475 1.008000 0.423800 -1.6925E+01 -1.0182E+01 -4.7528E+00 H2 4476 1.008000 0.423800 -1.8265E+01 -9.7076E+00 -5.5571E+00 O6 4477 15.999400 -0.847600 -1.9216E+01 -1.7502E+01 -1.4049E+01 H1 4478 1.008000 0.423800 -1.8408E+01 -1.8074E+01 -1.4192E+01 H2 4479 1.008000 0.423800 -1.8977E+01 -1.6728E+01 -1.3463E+01 O6 4480 15.999400 -0.847600 3.2540E+00 -5.1350E+00 -1.1060E+00 H1 4481 1.008000 0.423800 3.2215E+00 -4.1952E+00 -7.6574E-01 H2 4482 1.008000 0.423800 3.8158E+00 -5.6917E+00 -4.9412E-01 O6 4483 15.999400 -0.847600 1.4687E+01 1.5634E+01 1.7830E+01 H1 4484 1.008000 0.423800 1.3716E+01 1.5594E+01 1.8067E+01 H2 4485 1.008000 0.423800 1.4888E+01 1.4946E+01 1.7132E+01 O6 4486 15.999400 -0.847600 -2.4768E+00 -1.0607E+01 1.4122E+01 H1 4487 1.008000 0.423800 -3.1592E+00 -1.0014E+01 1.3696E+01 H2 4488 1.008000 0.423800 -2.3359E+00 -1.1417E+01 1.3552E+01 O6 4489 15.999400 -0.847600 1.7205E+01 -8.5510E+00 -1.8974E+01 H1 4490 1.008000 0.423800 1.7311E+01 -8.6437E+00 1.9134E+01 H2 4491 1.008000 0.423800 1.8087E+01 -8.7088E+00 -1.8528E+01 O6 4492 15.999400 -0.847600 -1.4504E+01 -1.6579E+01 1.2469E+01 H1 4493 1.008000 0.423800 -1.3518E+01 -1.6621E+01 1.2306E+01 H2 4494 1.008000 0.423800 -1.4705E+01 -1.6926E+01 1.3385E+01 O6 4495 15.999400 -0.847600 7.3772E+00 6.9523E+00 -7.8305E+00 H1 4496 1.008000 0.423800 6.6188E+00 7.3021E+00 -8.3804E+00 H2 4497 1.008000 0.423800 7.2550E+00 5.9713E+00 -7.6799E+00 O6 4498 15.999400 -0.847600 -6.1850E+00 9.8905E+00 -6.6878E+00 H1 4499 1.008000 0.423800 -5.4172E+00 1.0492E+01 -6.4664E+00 H2 4500 1.008000 0.423800 -6.9107E+00 1.0014E+01 -6.0110E+00 O6 4501 15.999400 -0.847600 -1.6680E+00 -3.0925E+00 -6.5669E+00 H1 4502 1.008000 0.423800 -8.1765E-01 -2.9637E+00 -7.0770E+00 H2 4503 1.008000 0.423800 -2.3824E+00 -3.4178E+00 -7.1865E+00 O6 4504 15.999400 -0.847600 1.5350E+01 6.6947E+00 1.7024E+01 H1 4505 1.008000 0.423800 1.4443E+01 6.2833E+00 1.7121E+01 H2 4506 1.008000 0.423800 1.6049E+01 5.9842E+00 1.7105E+01 O6 4507 15.999400 -0.847600 -1.5947E+01 -4.1736E+00 -1.5822E+01 H1 4508 1.008000 0.423800 -1.5965E+01 -3.8188E+00 -1.4887E+01 H2 4509 1.008000 0.423800 -1.5646E+01 -3.4527E+00 -1.6446E+01 O6 4510 15.999400 -0.847600 -1.5127E+01 -1.2790E+01 -4.1589E+00 H1 4511 1.008000 0.423800 -1.5632E+01 -1.2867E+01 -5.0187E+00 H2 4512 1.008000 0.423800 -1.5157E+01 -1.1843E+01 -3.8385E+00 O6 4513 15.999400 -0.847600 -1.7798E+01 -7.7424E+00 -1.2395E+01 H1 4514 1.008000 0.423800 -1.7583E+01 -8.2555E+00 -1.3226E+01 H2 4515 1.008000 0.423800 -1.8645E+01 -8.0946E+00 -1.1996E+01 O6 4516 15.999400 -0.847600 -1.9110E+01 -5.9207E-01 1.8415E+01 H1 4517 1.008000 0.423800 -1.8300E+01 -2.1985E-02 1.8275E+01 H2 4518 1.008000 0.423800 -1.8846E+01 -1.5564E+00 1.8396E+01 O6 4519 15.999400 -0.847600 4.3112E+00 1.2081E+01 -9.0967E+00 H1 4520 1.008000 0.423800 4.8677E+00 1.1692E+01 -8.3625E+00 H2 4521 1.008000 0.423800 4.6775E+00 1.2975E+01 -9.3550E+00 O6 4522 15.999400 -0.847600 -1.9527E+01 1.9090E+01 -8.5408E+00 H1 4523 1.008000 0.423800 -1.8634E+01 1.9539E+01 -8.5684E+00 H2 4524 1.008000 0.423800 -1.9401E+01 1.8099E+01 -8.4879E+00 O6 4525 15.999400 -0.847600 1.1834E+01 6.3582E+00 1.8205E+00 H1 4526 1.008000 0.423800 1.0927E+01 6.6845E+00 1.5564E+00 H2 4527 1.008000 0.423800 1.2354E+01 7.1104E+00 2.2255E+00 O6 4528 15.999400 -0.847600 -1.8034E+01 -1.5125E+01 -2.6683E+00 H1 4529 1.008000 0.423800 -1.8434E+01 -1.4270E+01 -2.9962E+00 H2 4530 1.008000 0.423800 -1.7061E+01 -1.4988E+01 -2.4805E+00 O6 4531 15.999400 -0.847600 -1.4548E+01 -8.4956E+00 1.4742E+01 H1 4532 1.008000 0.423800 -1.4060E+01 -8.9866E+00 1.5463E+01 H2 4533 1.008000 0.423800 -1.4854E+01 -7.6094E+00 1.5090E+01 O6 4534 15.999400 -0.847600 -1.0035E+01 -1.1396E+01 -1.6561E+01 H1 4535 1.008000 0.423800 -9.2843E+00 -1.2033E+01 -1.6388E+01 H2 4536 1.008000 0.423800 -1.0230E+01 -1.0877E+01 -1.5729E+01 O6 4537 15.999400 -0.847600 -1.8546E+01 2.8747E+00 1.6354E+01 H1 4538 1.008000 0.423800 -1.8493E+01 3.0633E+00 1.7334E+01 H2 4539 1.008000 0.423800 -1.8875E+01 3.6887E+00 1.5875E+01 O6 4540 15.999400 -0.847600 -1.2498E+01 -6.2239E+00 1.9068E+01 H1 4541 1.008000 0.423800 -1.2779E+01 -6.0401E+00 1.8127E+01 H2 4542 1.008000 0.423800 -1.1578E+01 -6.6170E+00 1.9070E+01 O6 4543 15.999400 -0.847600 -1.6660E+01 1.4388E+01 -1.2034E+01 H1 4544 1.008000 0.423800 -1.7046E+01 1.5140E+01 -1.1501E+01 H2 4545 1.008000 0.423800 -1.5689E+01 1.4289E+01 -1.1817E+01 O6 4546 15.999400 -0.847600 -1.0965E+01 -6.4751E+00 -7.8834E+00 H1 4547 1.008000 0.423800 -1.1910E+01 -6.6851E+00 -8.1318E+00 H2 4548 1.008000 0.423800 -1.0784E+01 -6.8005E+00 -6.9554E+00 O6 4549 15.999400 -0.847600 1.0251E+01 -1.8632E+01 1.9228E+01 H1 4550 1.008000 0.423800 9.7483E+00 -1.8860E+01 1.8394E+01 H2 4551 1.008000 0.423800 9.7005E+00 -1.8017E+01 -1.9305E+01 O6 4552 15.999400 -0.847600 -4.1444E+00 4.3752E+00 8.8080E+00 H1 4553 1.008000 0.423800 -3.7848E+00 4.6564E+00 9.6978E+00 H2 4554 1.008000 0.423800 -3.9436E+00 3.4071E+00 8.6583E+00 O6 4555 15.999400 -0.847600 5.6920E+00 1.2637E+01 1.2799E+01 H1 4556 1.008000 0.423800 6.5433E+00 1.2138E+01 1.2963E+01 H2 4557 1.008000 0.423800 5.6176E+00 1.2858E+01 1.1827E+01 O6 4558 15.999400 -0.847600 -7.5912E+00 -9.2255E+00 8.0931E+00 H1 4559 1.008000 0.423800 -7.2479E+00 -9.6086E+00 7.2355E+00 H2 4560 1.008000 0.423800 -6.8564E+00 -9.2151E+00 8.7712E+00 O6 4561 15.999400 -0.847600 -9.3338E+00 -4.4546E+00 1.7945E+01 H1 4562 1.008000 0.423800 -1.0008E+01 -3.8560E+00 1.7512E+01 H2 4563 1.008000 0.423800 -9.7955E+00 -5.2551E+00 1.8327E+01 O6 4564 15.999400 -0.847600 2.6796E+00 1.1697E+01 -3.4635E+00 H1 4565 1.008000 0.423800 2.8843E+00 1.1144E+01 -4.2711E+00 H2 4566 1.008000 0.423800 2.3197E+00 1.1109E+01 -2.7393E+00 O6 4567 15.999400 -0.847600 3.8534E+00 -3.7911E+00 -1.1233E+01 H1 4568 1.008000 0.423800 4.4277E+00 -2.9862E+00 -1.1084E+01 H2 4569 1.008000 0.423800 3.8362E+00 -4.3469E+00 -1.0402E+01 O6 4570 15.999400 -0.847600 -3.0485E+00 1.2716E+01 -1.5924E+01 H1 4571 1.008000 0.423800 -2.5962E+00 1.3604E+01 -1.5844E+01 H2 4572 1.008000 0.423800 -2.6186E+00 1.2065E+01 -1.5298E+01 O6 4573 15.999400 -0.847600 1.9003E+01 6.2223E-01 -6.5660E+00 H1 4574 1.008000 0.423800 1.8122E+01 4.5005E-01 -6.1248E+00 H2 4575 1.008000 0.423800 -1.9500E+01 1.1244E+00 -5.9382E+00 O6 4576 15.999400 -0.847600 -4.3789E+00 5.6556E+00 -1.8325E+01 H1 4577 1.008000 0.423800 -4.6505E+00 6.1252E+00 -1.9165E+01 H2 4578 1.008000 0.423800 -4.0944E+00 6.3296E+00 -1.7643E+01 O6 4579 15.999400 -0.847600 -1.2362E+01 -1.7182E+01 -1.2582E-01 H1 4580 1.008000 0.423800 -1.2618E+01 -1.8036E+01 3.2835E-01 H2 4581 1.008000 0.423800 -1.2831E+01 -1.6417E+01 3.1513E-01 O6 4582 15.999400 -0.847600 -6.5969E+00 -1.4318E+01 1.2433E+01 H1 4583 1.008000 0.423800 -7.3557E+00 -1.4160E+01 1.3065E+01 H2 4584 1.008000 0.423800 -5.8754E+00 -1.4830E+01 1.2900E+01 O6 4585 15.999400 -0.847600 -2.2835E+00 3.8273E+00 -4.2473E+00 H1 4586 1.008000 0.423800 -2.1380E+00 3.3429E+00 -3.3847E+00 H2 4587 1.008000 0.423800 -1.8015E+00 4.7031E+00 -4.2232E+00 O6 4588 15.999400 -0.847600 -1.2699E+01 1.3756E+01 9.5988E+00 H1 4589 1.008000 0.423800 -1.2272E+01 1.4344E+01 8.9118E+00 H2 4590 1.008000 0.423800 -1.2295E+01 1.3942E+01 1.0494E+01 O6 4591 15.999400 -0.847600 -1.1255E+01 -1.4584E+00 -7.0472E+00 H1 4592 1.008000 0.423800 -1.1231E+01 -6.9005E-01 -7.6868E+00 H2 4593 1.008000 0.423800 -1.1334E+01 -2.3146E+00 -7.5577E+00 O6 4594 15.999400 -0.847600 1.2383E+00 -1.4084E+01 -1.4999E+01 H1 4595 1.008000 0.423800 1.9869E+00 -1.4626E+01 -1.5381E+01 H2 4596 1.008000 0.423800 1.1212E+00 -1.4310E+01 -1.4033E+01 O6 4597 15.999400 -0.847600 7.4202E+00 1.4775E+01 1.6227E+01 H1 4598 1.008000 0.423800 7.7781E+00 1.5323E+01 1.6983E+01 H2 4599 1.008000 0.423800 8.0648E+00 1.4800E+01 1.5463E+01 O6 4600 15.999400 -0.847600 -1.6629E+01 -1.2890E+01 -6.6152E+00 H1 4601 1.008000 0.423800 -1.7486E+01 -1.3404E+01 -6.5735E+00 H2 4602 1.008000 0.423800 -1.6188E+01 -1.3049E+01 -7.4988E+00 O6 4603 15.999400 -0.847600 -1.9491E+01 -8.2611E+00 -6.7669E-01 H1 4604 1.008000 0.423800 1.9357E+01 -8.6552E+00 -1.5612E+00 H2 4605 1.008000 0.423800 -1.9474E+01 -8.9816E+00 1.6496E-02 O6 4606 15.999400 -0.847600 -1.8890E+01 1.3689E+01 -1.9301E+01 H1 4607 1.008000 0.423800 -1.8463E+01 1.2831E+01 -1.9018E+01 H2 4608 1.008000 0.423800 1.9301E+01 1.3500E+01 1.9419E+01 O6 4609 15.999400 -0.847600 -1.2201E+00 -4.0291E+00 -1.8951E+01 H1 4610 1.008000 0.423800 -9.6774E-01 -3.6936E+00 1.9239E+01 H2 4611 1.008000 0.423800 -4.1011E-01 -4.3975E+00 -1.8495E+01 O6 4612 15.999400 -0.847600 1.0108E+01 4.2054E+00 -6.6456E+00 H1 4613 1.008000 0.423800 1.0062E+01 4.2969E+00 -7.6403E+00 H2 4614 1.008000 0.423800 9.2081E+00 4.3940E+00 -6.2516E+00 O6 4615 15.999400 -0.847600 -3.1116E+00 2.2605E-01 1.9133E+01 H1 4616 1.008000 0.423800 -3.1057E+00 -7.7181E-01 1.9068E+01 H2 4617 1.008000 0.423800 -3.8894E+00 5.8910E-01 1.8620E+01 O6 4618 15.999400 -0.847600 5.2180E+00 -5.0763E+00 -1.8649E+01 H1 4619 1.008000 0.423800 5.5455E+00 -4.2483E+00 -1.9105E+01 H2 4620 1.008000 0.423800 5.1515E+00 -5.8189E+00 -1.9316E+01 O6 4621 15.999400 -0.847600 5.5997E+00 3.0311E+00 1.7702E+01 H1 4622 1.008000 0.423800 5.7074E+00 4.0253E+00 1.7699E+01 H2 4623 1.008000 0.423800 5.5635E+00 2.7030E+00 1.8646E+01 O6 4624 15.999400 -0.847600 -6.0392E+00 4.3279E-01 -1.5327E+01 H1 4625 1.008000 0.423800 -5.7017E+00 -1.3443E-01 -1.4576E+01 H2 4626 1.008000 0.423800 -5.7950E+00 9.8489E-03 -1.6200E+01 O6 4627 15.999400 -0.847600 1.7328E+01 -9.7224E+00 1.3174E+01 H1 4628 1.008000 0.423800 1.7412E+01 -8.7300E+00 1.3084E+01 H2 4629 1.008000 0.423800 1.7926E+01 -1.0042E+01 1.3910E+01 O6 4630 15.999400 -0.847600 1.4243E+01 -1.2669E+01 -2.7555E+00 H1 4631 1.008000 0.423800 1.4869E+01 -1.3429E+01 -2.9305E+00 H2 4632 1.008000 0.423800 1.3996E+01 -1.2234E+01 -3.6215E+00 O6 4633 15.999400 -0.847600 8.1313E+00 -9.9859E+00 4.8398E+00 H1 4634 1.008000 0.423800 9.0912E+00 -9.7336E+00 4.7177E+00 H2 4635 1.008000 0.423800 7.9470E+00 -1.0840E+01 4.3541E+00 O6 4636 15.999400 -0.847600 1.6801E+01 1.8060E+01 8.9701E+00 H1 4637 1.008000 0.423800 1.6830E+01 1.7474E+01 8.1608E+00 H2 4638 1.008000 0.423800 1.7335E+01 1.7642E+01 9.7044E+00 O6 4639 15.999400 -0.847600 -1.7921E+01 -8.5201E+00 3.6005E+00 H1 4640 1.008000 0.423800 -1.8027E+01 -7.5300E+00 3.6921E+00 H2 4641 1.008000 0.423800 -1.8379E+01 -8.8290E+00 2.7672E+00 O6 4642 15.999400 -0.847600 7.5237E+00 1.7101E+01 -1.8558E+01 H1 4643 1.008000 0.423800 6.8761E+00 1.7831E+01 -1.8773E+01 H2 4644 1.008000 0.423800 7.8255E+00 1.7192E+01 -1.7609E+01 O6 4645 15.999400 -0.847600 -4.2283E+00 -1.8274E+01 -7.1879E+00 H1 4646 1.008000 0.423800 -4.4638E+00 -1.9188E+01 -6.8578E+00 H2 4647 1.008000 0.423800 -4.1334E+00 -1.7653E+01 -6.4100E+00 O6 4648 15.999400 -0.847600 -8.9439E+00 1.8397E+01 1.6303E+01 H1 4649 1.008000 0.423800 -9.2042E+00 1.8303E+01 1.5342E+01 H2 4650 1.008000 0.423800 -9.1400E+00 1.9328E+01 1.6611E+01 O6 4651 15.999400 -0.847600 -1.5450E+01 -7.4838E+00 1.2159E+01 H1 4652 1.008000 0.423800 -1.5106E+01 -6.5877E+00 1.1878E+01 H2 4653 1.008000 0.423800 -1.4945E+01 -7.7975E+00 1.2963E+01 O6 4654 15.999400 -0.847600 -6.3306E+00 7.2445E+00 8.0127E+00 H1 4655 1.008000 0.423800 -6.3424E+00 6.2988E+00 8.3376E+00 H2 4656 1.008000 0.423800 -5.6668E+00 7.7711E+00 8.5437E+00 O6 4657 15.999400 -0.847600 -8.6991E+00 1.1769E+01 -8.5616E+00 H1 4658 1.008000 0.423800 -8.9512E+00 1.0920E+01 -9.0257E+00 H2 4659 1.008000 0.423800 -9.2624E+00 1.1882E+01 -7.7430E+00 O6 4660 15.999400 -0.847600 8.0547E+00 1.7968E+01 -1.3291E+01 H1 4661 1.008000 0.423800 8.1190E+00 1.8827E+01 -1.2782E+01 H2 4662 1.008000 0.423800 8.9642E+00 1.7700E+01 -1.3608E+01 O6 4663 15.999400 -0.847600 1.0707E+01 -1.7074E+01 6.6536E+00 H1 4664 1.008000 0.423800 1.1022E+01 -1.6234E+01 6.2118E+00 H2 4665 1.008000 0.423800 9.7120E+00 -1.7136E+01 6.5811E+00 O6 4666 15.999400 -0.847600 -7.4768E+00 -1.7356E+01 -2.9841E+00 H1 4667 1.008000 0.423800 -8.1434E+00 -1.6741E+01 -2.5633E+00 H2 4668 1.008000 0.423800 -6.6603E+00 -1.7406E+01 -2.4089E+00 O6 4669 15.999400 -0.847600 -1.9036E+01 -1.6384E+01 1.2876E+01 H1 4670 1.008000 0.423800 -1.8275E+01 -1.5887E+01 1.2460E+01 H2 4671 1.008000 0.423800 1.9342E+01 -1.5739E+01 1.3132E+01 O6 4672 15.999400 -0.847600 -3.2783E-01 1.7290E+00 2.8406E+00 H1 4673 1.008000 0.423800 3.8921E-01 1.7612E+00 3.5369E+00 H2 4674 1.008000 0.423800 -8.9623E-01 2.5489E+00 2.9094E+00 O6 4675 15.999400 -0.847600 -1.6928E+01 -1.3146E+01 1.9479E+01 H1 4676 1.008000 0.423800 -1.6013E+01 -1.3492E+01 1.9269E+01 H2 4677 1.008000 0.423800 -1.7467E+01 -1.3096E+01 1.8638E+01 O6 4678 15.999400 -0.847600 -2.5837E+00 -6.4031E+00 1.8065E+01 H1 4679 1.008000 0.423800 -3.2354E+00 -5.6542E+00 1.7944E+01 H2 4680 1.008000 0.423800 -2.4014E+00 -6.8318E+00 1.7180E+01 O6 4681 15.999400 -0.847600 -1.8618E+01 9.6762E+00 -4.2702E+00 H1 4682 1.008000 0.423800 -1.9459E+01 1.0189E+01 -4.0973E+00 H2 4683 1.008000 0.423800 -1.8541E+01 8.9302E+00 -3.6088E+00 O6 4684 15.999400 -0.847600 2.8354E-01 1.7406E+00 2.4928E-01 H1 4685 1.008000 0.423800 -4.1258E-01 2.1689E+00 -3.2691E-01 H2 4686 1.008000 0.423800 -4.9551E-03 1.7806E+00 1.2059E+00 O6 4687 15.999400 -0.847600 1.5996E+01 -1.0887E+01 -9.8121E-01 H1 4688 1.008000 0.423800 1.5643E+01 -1.1516E+01 -2.8911E-01 H2 4689 1.008000 0.423800 1.6788E+01 -1.1298E+01 -1.4326E+00 O6 4690 15.999400 -0.847600 1.8425E+01 -6.3566E+00 1.2798E+01 H1 4691 1.008000 0.423800 1.7650E+01 -6.5417E+00 1.2195E+01 H2 4692 1.008000 0.423800 1.9277E+01 -6.4362E+00 1.2280E+01 O6 4693 15.999400 -0.847600 5.5839E+00 2.2971E+00 -1.8746E+01 H1 4694 1.008000 0.423800 5.8384E+00 3.2439E+00 -1.8549E+01 H2 4695 1.008000 0.423800 6.2977E+00 1.6831E+00 -1.8409E+01 O6 4696 15.999400 -0.847600 -1.8623E+01 1.6596E+01 -1.7979E+01 H1 4697 1.008000 0.423800 -1.8266E+01 1.5922E+01 -1.7332E+01 H2 4698 1.008000 0.423800 -1.8461E+01 1.7517E+01 -1.7625E+01 O6 4699 15.999400 -0.847600 -9.9066E+00 -9.6468E+00 -1.2014E+01 H1 4700 1.008000 0.423800 -9.5211E+00 -1.0110E+01 -1.1216E+01 H2 4701 1.008000 0.423800 -9.2474E+00 -8.9809E+00 -1.2363E+01 O6 4702 15.999400 -0.847600 1.9110E+01 8.0583E+00 -1.6271E+01 H1 4703 1.008000 0.423800 1.9282E+01 7.4573E+00 -1.5491E+01 H2 4704 1.008000 0.423800 1.9080E+01 9.0082E+00 -1.5960E+01 O6 4705 15.999400 -0.847600 1.4681E+01 -7.9965E+00 1.6848E+01 H1 4706 1.008000 0.423800 1.4247E+01 -8.8802E+00 1.6674E+01 H2 4707 1.008000 0.423800 1.5641E+01 -8.1390E+00 1.7090E+01 O6 4708 15.999400 -0.847600 -1.1369E+01 9.0079E+00 -7.8638E-01 H1 4709 1.008000 0.423800 -1.1498E+01 9.0959E+00 2.0135E-01 H2 4710 1.008000 0.423800 -1.2127E+01 8.4845E+00 -1.1763E+00 O6 4711 15.999400 -0.847600 -8.4452E-01 -1.7849E+01 9.2408E-01 H1 4712 1.008000 0.423800 -2.8563E-01 -1.8330E+01 2.4846E-01 H2 4713 1.008000 0.423800 -1.5687E+00 -1.7341E+01 4.5713E-01 O6 4714 15.999400 -0.847600 -1.7254E+01 3.7459E+00 8.0815E+00 H1 4715 1.008000 0.423800 -1.7280E+01 2.8362E+00 8.4960E+00 H2 4716 1.008000 0.423800 -1.6926E+01 3.6736E+00 7.1397E+00 O6 4717 15.999400 -0.847600 1.8571E+00 1.6209E+01 1.6312E+01 H1 4718 1.008000 0.423800 2.4933E+00 1.6206E+01 1.7083E+01 H2 4719 1.008000 0.423800 2.2783E+00 1.6676E+01 1.5534E+01 O6 4720 15.999400 -0.847600 -1.4345E+01 8.2966E-01 -9.5931E+00 H1 4721 1.008000 0.423800 -1.4029E+01 4.7078E-01 -1.0471E+01 H2 4722 1.008000 0.423800 -1.4336E+01 9.7880E-02 -8.9116E+00 O6 4723 15.999400 -0.847600 -1.7279E+01 1.7411E+01 9.4183E+00 H1 4724 1.008000 0.423800 -1.6516E+01 1.6776E+01 9.5369E+00 H2 4725 1.008000 0.423800 -1.7822E+01 1.7440E+01 1.0257E+01 O6 4726 15.999400 -0.847600 -1.2405E+01 -1.7040E+01 9.0376E+00 H1 4727 1.008000 0.423800 -1.2015E+01 -1.7749E+01 9.6255E+00 H2 4728 1.008000 0.423800 -1.1824E+01 -1.6917E+01 8.2333E+00 O6 4729 15.999400 -0.847600 -6.6367E+00 -9.4017E+00 1.5696E+01 H1 4730 1.008000 0.423800 -6.2526E+00 -8.9346E+00 1.6492E+01 H2 4731 1.008000 0.423800 -7.4061E+00 -8.8725E+00 1.5338E+01 O6 4732 15.999400 -0.847600 1.6074E+01 2.8360E+00 -1.1096E+01 H1 4733 1.008000 0.423800 1.5482E+01 3.2244E+00 -1.1802E+01 H2 4734 1.008000 0.423800 1.6343E+01 3.5546E+00 -1.0455E+01 O6 4735 15.999400 -0.847600 1.9143E+01 -2.1773E+00 1.2435E+01 H1 4736 1.008000 0.423800 -1.9245E+01 -2.8656E+00 1.2587E+01 H2 4737 1.008000 0.423800 1.8303E+01 -2.6264E+00 1.2132E+01 O6 4738 15.999400 -0.847600 1.6275E+00 -1.2922E+01 8.2274E+00 H1 4739 1.008000 0.423800 2.1513E+00 -1.3031E+01 9.0723E+00 H2 4740 1.008000 0.423800 6.7785E-01 -1.2702E+01 8.4502E+00 O6 4741 15.999400 -0.847600 9.3707E+00 1.7026E+01 -4.6805E+00 H1 4742 1.008000 0.423800 1.0078E+01 1.6750E+01 -4.0299E+00 H2 4743 1.008000 0.423800 9.6356E+00 1.7886E+01 -5.1154E+00 O6 4744 15.999400 -0.847600 1.8456E+01 -1.2226E+01 -2.0525E+00 H1 4745 1.008000 0.423800 1.8980E+01 -1.2651E+01 -2.7905E+00 H2 4746 1.008000 0.423800 1.8559E+01 -1.2766E+01 -1.2169E+00 O6 4747 15.999400 -0.847600 1.2442E+01 1.1895E+01 8.4842E+00 H1 4748 1.008000 0.423800 1.2915E+01 1.1636E+01 9.3264E+00 H2 4749 1.008000 0.423800 1.1594E+01 1.1371E+01 8.4039E+00 O6 4750 15.999400 -0.847600 1.0292E+01 -1.4131E+01 -4.8691E+00 H1 4751 1.008000 0.423800 1.1081E+01 -1.3815E+01 -5.3972E+00 H2 4752 1.008000 0.423800 9.8403E+00 -1.3347E+01 -4.4442E+00 O6 4753 15.999400 -0.847600 1.7318E+01 1.9467E+01 1.2183E+01 H1 4754 1.008000 0.423800 1.6489E+01 -1.9201E+01 1.2539E+01 H2 4755 1.008000 0.423800 1.8102E+01 -1.9354E+01 1.2739E+01 O6 4756 15.999400 -0.847600 -9.2476E+00 5.4292E+00 7.6204E+00 H1 4757 1.008000 0.423800 -9.7587E+00 6.1797E+00 8.0394E+00 H2 4758 1.008000 0.423800 -8.3119E+00 5.4252E+00 7.9733E+00 O6 4759 15.999400 -0.847600 4.1389E-01 1.4730E+01 -6.2894E+00 H1 4760 1.008000 0.423800 1.3056E-01 1.3811E+01 -6.5625E+00 H2 4761 1.008000 0.423800 4.7931E-01 1.4776E+01 -5.2927E+00 O6 4762 15.999400 -0.847600 1.1510E+01 -1.2028E+01 1.1504E+01 H1 4763 1.008000 0.423800 1.2509E+01 -1.2018E+01 1.1458E+01 H2 4764 1.008000 0.423800 1.1132E+01 -1.1878E+01 1.0591E+01 O6 4765 15.999400 -0.847600 -3.5653E+00 -2.6029E+00 -8.5505E+00 H1 4766 1.008000 0.423800 -3.9998E+00 -2.1149E+00 -7.7934E+00 H2 4767 1.008000 0.423800 -2.6970E+00 -2.1616E+00 -8.7769E+00 O6 4768 15.999400 -0.847600 1.3209E+01 5.8567E+00 -4.0520E+00 H1 4769 1.008000 0.423800 1.2824E+01 6.1463E+00 -3.1758E+00 H2 4770 1.008000 0.423800 1.3580E+01 4.9325E+00 -3.9635E+00 O6 4771 15.999400 -0.847600 1.4118E+01 1.4390E+01 8.0511E+00 H1 4772 1.008000 0.423800 1.3711E+01 1.4634E+01 8.9317E+00 H2 4773 1.008000 0.423800 1.3835E+01 1.3465E+01 7.7983E+00 O6 4774 15.999400 -0.847600 -1.6303E+01 1.1349E+01 -2.6335E+00 H1 4775 1.008000 0.423800 -1.6781E+01 1.0476E+01 -2.5322E+00 H2 4776 1.008000 0.423800 -1.6627E+01 1.1812E+01 -3.4581E+00 O6 4777 15.999400 -0.847600 2.4440E+00 -2.5970E+00 7.6412E+00 H1 4778 1.008000 0.423800 2.8464E+00 -3.0535E+00 6.8476E+00 H2 4779 1.008000 0.423800 3.1101E+00 -1.9631E+00 8.0342E+00 O6 4780 15.999400 -0.847600 -1.5529E+01 1.4566E+01 4.0073E+00 H1 4781 1.008000 0.423800 -1.5796E+01 1.3613E+01 4.1534E+00 H2 4782 1.008000 0.423800 -1.4677E+01 1.4597E+01 3.4843E+00 O6 4783 15.999400 -0.847600 1.2492E+01 -3.0072E+00 9.7620E+00 H1 4784 1.008000 0.423800 1.3060E+01 -2.3242E+00 1.0221E+01 H2 4785 1.008000 0.423800 1.2675E+01 -2.9877E+00 8.7791E+00 O6 4786 15.999400 -0.847600 -3.0481E+00 -1.2937E+01 -9.2497E+00 H1 4787 1.008000 0.423800 -2.4773E+00 -1.3747E+01 -9.3858E+00 H2 4788 1.008000 0.423800 -3.9437E+00 -1.3086E+01 -9.6688E+00 O6 4789 15.999400 -0.847600 1.8254E+01 -1.8704E+01 3.9636E+00 H1 4790 1.008000 0.423800 1.8660E+01 -1.7803E+01 4.1154E+00 H2 4791 1.008000 0.423800 1.7903E+01 -1.9062E+01 4.8291E+00 O6 4792 15.999400 -0.847600 1.2628E+01 -1.7680E+00 -1.6031E+01 H1 4793 1.008000 0.423800 1.2314E+01 -1.9354E+00 -1.5097E+01 H2 4794 1.008000 0.423800 1.3611E+01 -1.9392E+00 -1.6089E+01 O6 4795 15.999400 -0.847600 1.2595E+00 -8.9873E+00 1.9495E+01 H1 4796 1.008000 0.423800 7.6664E-01 -8.1268E+00 1.9366E+01 H2 4797 1.008000 0.423800 8.4520E-01 -9.4989E+00 -1.8850E+01 O6 4798 15.999400 -0.847600 8.5363E+00 -3.9738E+00 -1.1110E+01 H1 4799 1.008000 0.423800 7.7952E+00 -4.5277E+00 -1.0730E+01 H2 4800 1.008000 0.423800 8.6248E+00 -4.1607E+00 -1.2088E+01 O6 4801 15.999400 -0.847600 1.1076E+01 9.8823E+00 -1.3403E+01 H1 4802 1.008000 0.423800 1.0637E+01 1.0576E+01 -1.3974E+01 H2 4803 1.008000 0.423800 1.0480E+01 9.0828E+00 -1.3331E+01 O6 4804 15.999400 -0.847600 -1.0759E+01 -1.8992E+01 -4.2827E+00 H1 4805 1.008000 0.423800 -1.0183E+01 -1.9275E+01 -3.5155E+00 H2 4806 1.008000 0.423800 -1.1020E+01 1.9302E+01 -4.8173E+00 O6 4807 15.999400 -0.847600 7.2247E+00 4.0021E+00 -1.0703E+01 H1 4808 1.008000 0.423800 6.7409E+00 4.0809E+00 -9.8317E+00 H2 4809 1.008000 0.423800 7.0686E+00 3.0933E+00 -1.1090E+01 O6 4810 15.999400 -0.847600 -1.4172E+01 1.7934E+01 7.7265E+00 H1 4811 1.008000 0.423800 -1.4013E+01 1.7421E+01 8.5703E+00 H2 4812 1.008000 0.423800 -1.5048E+01 1.8412E+01 7.7869E+00 O6 4813 15.999400 -0.847600 -1.1153E+01 6.1563E+00 1.8474E+01 H1 4814 1.008000 0.423800 -1.0710E+01 5.7847E+00 1.9290E+01 H2 4815 1.008000 0.423800 -1.1067E+01 7.1525E+00 1.8472E+01 O6 4816 15.999400 -0.847600 1.8913E+01 1.6226E+01 1.8786E+01 H1 4817 1.008000 0.423800 -1.9409E+01 1.6000E+01 1.9375E+01 H2 4818 1.008000 0.423800 1.8124E+01 1.5670E+01 1.9046E+01 O6 4819 15.999400 -0.847600 1.8722E+01 -7.2885E+00 1.5405E+01 H1 4820 1.008000 0.423800 1.8451E+01 -6.9917E+00 1.4489E+01 H2 4821 1.008000 0.423800 1.8368E+01 -6.6440E+00 1.6083E+01 O6 4822 15.999400 -0.847600 9.8137E+00 1.7619E+01 6.6791E+00 H1 4823 1.008000 0.423800 1.0030E+01 1.8207E+01 7.4587E+00 H2 4824 1.008000 0.423800 1.0602E+01 1.7576E+01 6.0650E+00 O6 4825 15.999400 -0.847600 -1.1247E+01 -1.4615E+01 -2.8748E+00 H1 4826 1.008000 0.423800 -1.1723E+01 -1.5493E+01 -2.8275E+00 H2 4827 1.008000 0.423800 -1.0974E+01 -1.4434E+01 -3.8196E+00 O6 4828 15.999400 -0.847600 -7.3321E+00 2.7325E+00 -9.1538E+00 H1 4829 1.008000 0.423800 -7.7796E+00 1.8522E+00 -9.3115E+00 H2 4830 1.008000 0.423800 -6.9219E+00 2.7393E+00 -8.2419E+00 O6 4831 15.999400 -0.847600 8.8917E+00 7.2134E-01 -1.2136E+01 H1 4832 1.008000 0.423800 9.3374E+00 1.2249E+00 -1.1396E+01 H2 4833 1.008000 0.423800 9.3898E+00 -1.2856E-01 -1.2308E+01 O6 4834 15.999400 -0.847600 -1.8282E+01 -3.4985E+00 -9.9242E-01 H1 4835 1.008000 0.423800 -1.8331E+01 -4.4077E+00 -5.7897E-01 H2 4836 1.008000 0.423800 -1.7489E+01 -3.4511E+00 -1.6003E+00 O6 4837 15.999400 -0.847600 1.4585E+01 8.1248E-01 6.7658E+00 H1 4838 1.008000 0.423800 1.5340E+01 5.8428E-01 7.3795E+00 H2 4839 1.008000 0.423800 1.4692E+01 3.1425E-01 5.9055E+00 O6 4840 15.999400 -0.847600 -8.1805E+00 -9.3456E+00 -6.6206E+00 H1 4841 1.008000 0.423800 -8.3836E+00 -9.0754E+00 -7.5618E+00 H2 4842 1.008000 0.423800 -8.6336E+00 -8.7173E+00 -5.9883E+00 O6 4843 15.999400 -0.847600 3.4658E+00 8.6785E+00 -1.3435E+01 H1 4844 1.008000 0.423800 3.8603E+00 7.8122E+00 -1.3128E+01 H2 4845 1.008000 0.423800 3.8216E+00 9.4245E+00 -1.2872E+01 O6 4846 15.999400 -0.847600 -3.4300E+00 1.8678E+01 -1.6437E+01 H1 4847 1.008000 0.423800 -4.2783E+00 1.8737E+01 -1.6964E+01 H2 4848 1.008000 0.423800 -2.6619E+00 1.8965E+01 -1.7010E+01 O6 4849 15.999400 -0.847600 1.0714E+01 -9.3522E+00 -6.0889E+00 H1 4850 1.008000 0.423800 1.0440E+01 -9.2200E+00 -5.1364E+00 H2 4851 1.008000 0.423800 1.1702E+01 -9.2223E+00 -6.1722E+00 O6 4852 15.999400 -0.847600 -9.2808E+00 -1.1556E+01 1.5132E+01 H1 4853 1.008000 0.423800 -1.0038E+01 -1.1153E+01 1.4617E+01 H2 4854 1.008000 0.423800 -9.1488E+00 -1.1048E+01 1.5983E+01 O6 4855 15.999400 -0.847600 -1.3936E+01 6.9023E+00 -7.4882E+00 H1 4856 1.008000 0.423800 -1.4632E+01 7.1440E+00 -8.1638E+00 H2 4857 1.008000 0.423800 -1.4083E+01 7.4324E+00 -6.6532E+00 O6 4858 15.999400 -0.847600 1.0961E+01 1.7031E+01 -1.8822E+01 H1 4859 1.008000 0.423800 1.1859E+01 1.7149E+01 -1.8398E+01 H2 4860 1.008000 0.423800 1.0306E+01 1.7655E+01 -1.8396E+01 O6 4861 15.999400 -0.847600 -1.6326E+01 -8.0004E+00 9.4179E+00 H1 4862 1.008000 0.423800 -1.6556E+01 -8.1729E+00 1.0376E+01 H2 4863 1.008000 0.423800 -1.6254E+01 -7.0148E+00 9.2647E+00 O6 4864 15.999400 -0.847600 1.4362E+01 -6.7953E+00 -1.1462E+00 H1 4865 1.008000 0.423800 1.3424E+01 -6.4790E+00 -1.2834E+00 H2 4866 1.008000 0.423800 1.4983E+01 -6.2543E+00 -1.7141E+00 O6 4867 15.999400 -0.847600 8.9005E+00 -1.0972E+01 1.1026E+00 H1 4868 1.008000 0.423800 8.1804E+00 -1.1442E+01 1.6128E+00 H2 4869 1.008000 0.423800 9.7893E+00 -1.1183E+01 1.5092E+00 O6 4870 15.999400 -0.847600 -1.4362E+01 -1.3942E+01 1.8063E+01 H1 4871 1.008000 0.423800 -1.3488E+01 -1.3477E+01 1.8204E+01 H2 4872 1.008000 0.423800 -1.4755E+01 -1.3655E+01 1.7189E+01 O6 4873 15.999400 -0.847600 -1.6429E+01 1.9413E+01 8.0029E+00 H1 4874 1.008000 0.423800 -1.6424E+01 -1.8772E+01 8.4123E+00 H2 4875 1.008000 0.423800 -1.7002E+01 1.8805E+01 8.5516E+00 O6 4876 15.999400 -0.847600 -2.2641E+00 -1.1340E+01 -1.4109E+01 H1 4877 1.008000 0.423800 -1.5245E+00 -1.1069E+01 -1.4725E+01 H2 4878 1.008000 0.423800 -2.0671E+00 -1.1009E+01 -1.3186E+01 O6 4879 15.999400 -0.847600 -1.9481E+01 -4.0084E+00 -1.5217E+01 H1 4880 1.008000 0.423800 -1.8496E+01 -4.0002E+00 -1.5390E+01 H2 4881 1.008000 0.423800 1.9131E+01 -3.7217E+00 -1.6043E+01 O6 4882 15.999400 -0.847600 1.2645E+01 5.9555E+00 -1.2374E+00 H1 4883 1.008000 0.423800 1.2571E+01 4.9659E+00 -1.3610E+00 H2 4884 1.008000 0.423800 1.2675E+01 6.1680E+00 -2.6068E-01 O6 4885 15.999400 -0.847600 -7.5930E+00 -1.3022E+01 -1.6925E+01 H1 4886 1.008000 0.423800 -7.5004E+00 -1.3246E+01 -1.5954E+01 H2 4887 1.008000 0.423800 -7.2887E+00 -1.3799E+01 -1.7476E+01 O6 4888 15.999400 -0.847600 1.2362E+01 -1.2962E+01 -6.2448E+00 H1 4889 1.008000 0.423800 1.1532E+01 -1.2555E+01 -6.6268E+00 H2 4890 1.008000 0.423800 1.2981E+01 -1.2238E+01 -5.9425E+00 O6 4891 15.999400 -0.847600 -7.1234E+00 -3.9383E+00 -4.2289E+00 H1 4892 1.008000 0.423800 -7.9825E+00 -3.4265E+00 -4.2211E+00 H2 4893 1.008000 0.423800 -7.1491E+00 -4.6432E+00 -3.5200E+00 O6 4894 15.999400 -0.847600 7.4200E+00 -3.9678E+00 -1.3927E+01 H1 4895 1.008000 0.423800 7.2559E+00 -3.0553E+00 -1.3552E+01 H2 4896 1.008000 0.423800 7.1592E+00 -3.9834E+00 -1.4892E+01 O6 4897 15.999400 -0.847600 -1.2544E+01 1.1799E+01 -4.8858E+00 H1 4898 1.008000 0.423800 -1.2580E+01 1.1385E+01 -3.9760E+00 H2 4899 1.008000 0.423800 -1.3225E+01 1.2528E+01 -4.9478E+00 O6 4900 15.999400 -0.847600 -9.0893E+00 1.4970E+01 1.9546E+01 H1 4901 1.008000 0.423800 -8.3391E+00 1.5572E+01 -1.9278E+01 H2 4902 1.008000 0.423800 -9.5854E+00 1.5383E+01 1.8782E+01 O6 4903 15.999400 -0.847600 3.0626E+00 -1.5954E+01 -1.8746E+01 H1 4904 1.008000 0.423800 2.7014E+00 -1.5095E+01 -1.9109E+01 H2 4905 1.008000 0.423800 3.2526E+00 -1.6581E+01 -1.9502E+01 O6 4906 15.999400 -0.847600 -6.1727E+00 -1.4485E+01 -1.5922E+00 H1 4907 1.008000 0.423800 -7.1472E+00 -1.4654E+01 -1.7404E+00 H2 4908 1.008000 0.423800 -5.6934E+00 -1.5358E+01 -1.5025E+00 O6 4909 15.999400 -0.847600 -3.3024E+00 -3.6508E+00 -1.4438E+01 H1 4910 1.008000 0.423800 -3.0937E+00 -4.6287E+00 -1.4421E+01 H2 4911 1.008000 0.423800 -3.0588E+00 -3.2743E+00 -1.5332E+01 O6 4912 15.999400 -0.847600 1.7251E+01 -1.6305E+01 8.6728E+00 H1 4913 1.008000 0.423800 1.6559E+01 -1.6057E+01 9.3507E+00 H2 4914 1.008000 0.423800 1.7495E+01 -1.7269E+01 8.7816E+00 O6 4915 15.999400 -0.847600 1.4200E+00 4.1256E+00 -9.1648E+00 H1 4916 1.008000 0.423800 1.6754E+00 4.5169E+00 -1.0049E+01 H2 4917 1.008000 0.423800 6.6310E-01 3.4842E+00 -9.2905E+00 O6 4918 15.999400 -0.847600 -2.4636E+00 -1.2012E+01 -6.4468E+00 H1 4919 1.008000 0.423800 -2.0146E+00 -1.2813E+01 -6.0496E+00 H2 4920 1.008000 0.423800 -2.2773E+00 -1.1979E+01 -7.4287E+00 O6 4921 15.999400 -0.847600 1.8341E+01 -1.8709E+01 8.5866E+00 H1 4922 1.008000 0.423800 1.8067E+01 1.9505E+01 8.9658E+00 H2 4923 1.008000 0.423800 1.9252E+01 -1.8470E+01 8.9236E+00 O6 4924 15.999400 -0.847600 -1.8750E+01 -9.8485E+00 8.2010E+00 H1 4925 1.008000 0.423800 -1.9335E+01 -1.0648E+01 8.0665E+00 H2 4926 1.008000 0.423800 -1.8150E+01 -9.7379E+00 7.4087E+00 O6 4927 15.999400 -0.847600 -1.4205E+01 -5.0621E+00 1.1635E+01 H1 4928 1.008000 0.423800 -1.4317E+01 -4.2297E+00 1.2178E+01 H2 4929 1.008000 0.423800 -1.4508E+01 -4.8912E+00 1.0697E+01 O6 4930 15.999400 -0.847600 1.7300E+00 7.1838E+00 1.2599E+01 H1 4931 1.008000 0.423800 2.1719E+00 6.7953E+00 1.3408E+01 H2 4932 1.008000 0.423800 1.5455E+00 6.4564E+00 1.1938E+01 O6 4933 15.999400 -0.847600 -8.2762E+00 -1.7121E+01 4.7160E+00 H1 4934 1.008000 0.423800 -8.2153E+00 -1.7856E+01 5.3911E+00 H2 4935 1.008000 0.423800 -7.4347E+00 -1.6581E+01 4.7344E+00 O6 4936 15.999400 -0.847600 -8.8505E+00 -1.3498E+01 1.8489E+01 H1 4937 1.008000 0.423800 -7.8744E+00 -1.3281E+01 1.8478E+01 H2 4938 1.008000 0.423800 -9.3509E+00 -1.2810E+01 1.7964E+01 O6 4939 15.999400 -0.847600 1.6559E+01 1.0478E+01 1.9320E+01 H1 4940 1.008000 0.423800 1.6947E+01 1.1320E+01 1.8946E+01 H2 4941 1.008000 0.423800 1.6444E+01 1.0574E+01 -1.8789E+01 O6 4942 15.999400 -0.847600 5.8625E+00 -1.0719E+01 1.0215E+01 H1 4943 1.008000 0.423800 6.6442E+00 -1.0271E+01 9.7814E+00 H2 4944 1.008000 0.423800 5.4336E+00 -1.0089E+01 1.0862E+01 O6 4945 15.999400 -0.847600 1.0272E+01 -8.3646E+00 9.4960E+00 H1 4946 1.008000 0.423800 9.7900E+00 -8.0848E+00 1.0326E+01 H2 4947 1.008000 0.423800 1.1224E+01 -8.0629E+00 9.5457E+00 O6 4948 15.999400 -0.847600 -2.1905E+00 1.8243E+00 1.4052E+01 H1 4949 1.008000 0.423800 -2.0447E+00 1.3088E+00 1.4897E+01 H2 4950 1.008000 0.423800 -1.8859E+00 1.2785E+00 1.3272E+01 O6 4951 15.999400 -0.847600 1.6763E+01 -8.2260E+00 -1.4722E+01 H1 4952 1.008000 0.423800 1.6320E+01 -7.7067E+00 -1.5453E+01 H2 4953 1.008000 0.423800 1.7647E+01 -7.8109E+00 -1.4506E+01 O6 4954 15.999400 -0.847600 -8.4487E+00 -7.2147E+00 2.1227E-02 H1 4955 1.008000 0.423800 -8.8417E+00 -8.1194E+00 -1.4388E-01 H2 4956 1.008000 0.423800 -7.7793E+00 -7.2723E+00 7.6187E-01 O6 4957 15.999400 -0.847600 1.5466E+01 1.7700E+01 1.4135E+01 H1 4958 1.008000 0.423800 1.4812E+01 1.7313E+01 1.4785E+01 H2 4959 1.008000 0.423800 1.6343E+01 1.7846E+01 1.4593E+01 O6 4960 15.999400 -0.847600 6.3890E+00 5.6312E+00 8.1756E+00 H1 4961 1.008000 0.423800 6.6196E+00 6.4734E+00 8.6631E+00 H2 4962 1.008000 0.423800 6.0679E+00 4.9453E+00 8.8286E+00 O6 4963 15.999400 -0.847600 1.6035E+00 -1.4847E+01 1.3821E+00 H1 4964 1.008000 0.423800 6.5337E-01 -1.4541E+01 1.4388E+00 H2 4965 1.008000 0.423800 1.9506E+00 -1.5029E+01 2.3022E+00 O6 4966 15.999400 -0.847600 3.1116E-01 -1.3500E+01 -7.6083E+00 H1 4967 1.008000 0.423800 -2.7953E-01 -1.4171E+01 -8.0564E+00 H2 4968 1.008000 0.423800 1.2092E+00 -1.3906E+01 -7.4398E+00 O6 4969 15.999400 -0.847600 1.3729E+01 -1.5632E+01 -1.6349E+01 H1 4970 1.008000 0.423800 1.4339E+01 -1.5952E+01 -1.5624E+01 H2 4971 1.008000 0.423800 1.2908E+01 -1.6201E+01 -1.6369E+01 O6 4972 15.999400 -0.847600 1.4379E+01 -1.5074E+01 -6.3722E+00 H1 4973 1.008000 0.423800 1.4286E+01 -1.5931E+01 -5.8655E+00 H2 4974 1.008000 0.423800 1.3599E+01 -1.4481E+01 -6.1718E+00 O6 4975 15.999400 -0.847600 -9.9607E+00 -1.8711E+00 -1.1072E+01 H1 4976 1.008000 0.423800 -1.0427E+01 -2.4629E+00 -1.0414E+01 H2 4977 1.008000 0.423800 -9.2442E+00 -2.3900E+00 -1.1538E+01 O6 4978 15.999400 -0.847600 -1.3339E+01 -1.4080E+00 -1.4909E+01 H1 4979 1.008000 0.423800 -1.3252E+01 -6.6787E-01 -1.4242E+01 H2 4980 1.008000 0.423800 -1.2965E+01 -2.2507E+00 -1.4522E+01 O6 4981 15.999400 -0.847600 -1.5790E+01 8.1295E+00 1.9511E+01 H1 4982 1.008000 0.423800 -1.5697E+01 7.3311E+00 1.8916E+01 H2 4983 1.008000 0.423800 -1.5120E+01 8.0738E+00 -1.8847E+01 O6 4984 15.999400 -0.847600 1.0405E+01 2.5876E+00 1.0807E+01 H1 4985 1.008000 0.423800 1.0909E+01 3.2329E+00 1.1381E+01 H2 4986 1.008000 0.423800 1.0637E+01 1.6523E+00 1.1075E+01 O6 4987 15.999400 -0.847600 9.6038E-01 5.6625E+00 -5.8533E+00 H1 4988 1.008000 0.423800 8.0583E-01 4.7118E+00 -5.5843E+00 H2 4989 1.008000 0.423800 3.0701E-01 5.9176E+00 -6.5661E+00 O6 4990 15.999400 -0.847600 -4.4416E+00 -1.1380E+01 -4.4622E+00 H1 4991 1.008000 0.423800 -3.7947E+00 -1.1606E+01 -5.1904E+00 H2 4992 1.008000 0.423800 -5.3519E+00 -1.1247E+01 -4.8544E+00 O6 4993 15.999400 -0.847600 -8.6476E+00 -2.7605E+00 1.0374E+01 H1 4994 1.008000 0.423800 -7.8598E+00 -2.7220E+00 9.7593E+00 H2 4995 1.008000 0.423800 -9.0248E+00 -3.6866E+00 1.0375E+01 O6 4996 15.999400 -0.847600 -3.9868E+00 -7.3486E+00 6.5697E+00 H1 4997 1.008000 0.423800 -3.7136E+00 -7.0158E+00 7.4723E+00 H2 4998 1.008000 0.423800 -3.6179E+00 -8.2671E+00 6.4275E+00 O6 4999 15.999400 -0.847600 -4.5794E+00 1.6939E+01 -1.4333E+01 H1 5000 1.008000 0.423800 -4.3402E+00 1.7333E+01 -1.5220E+01 H2 5001 1.008000 0.423800 -4.7907E+00 1.5968E+01 -1.4447E+01 O6 5002 15.999400 -0.847600 -5.3721E-01 1.5218E+01 1.4861E+01 H1 5003 1.008000 0.423800 2.2937E-01 1.4625E+01 1.4614E+01 H2 5004 1.008000 0.423800 -3.0172E-01 1.5743E+01 1.5679E+01 O6 5005 15.999400 -0.847600 -1.7452E+01 -1.2542E+01 5.8528E+00 H1 5006 1.008000 0.423800 -1.7055E+01 -1.1672E+01 5.5591E+00 H2 5007 1.008000 0.423800 -1.7023E+01 -1.3291E+01 5.3486E+00 O6 5008 15.999400 -0.847600 4.8364E+00 -1.3230E+01 2.4601E+00 H1 5009 1.008000 0.423800 5.6885E+00 -1.3383E+01 1.9596E+00 H2 5010 1.008000 0.423800 4.4229E+00 -1.2371E+01 2.1585E+00 O6 5011 15.999400 -0.847600 -1.6242E+01 1.1611E+01 -1.0428E+01 H1 5012 1.008000 0.423800 -1.5998E+01 1.1804E+01 -1.1379E+01 H2 5013 1.008000 0.423800 -1.5904E+01 1.2346E+01 -9.8411E+00 O6 5014 15.999400 -0.847600 -1.4870E+01 1.3351E+01 -1.6207E+01 H1 5015 1.008000 0.423800 -1.4813E+01 1.2924E+01 -1.7109E+01 H2 5016 1.008000 0.423800 -1.4338E+01 1.2815E+01 -1.5550E+01 O6 5017 15.999400 -0.847600 6.3835E+00 -8.9008E+00 -1.4555E+00 H1 5018 1.008000 0.423800 6.2099E+00 -8.0699E+00 -1.9841E+00 H2 5019 1.008000 0.423800 7.1003E+00 -8.7231E+00 -7.8122E-01 O6 5020 15.999400 -0.847600 -1.1120E+01 1.8533E+00 1.4784E+01 H1 5021 1.008000 0.423800 -1.0632E+01 1.1712E+00 1.4240E+01 H2 5022 1.008000 0.423800 -1.0493E+01 2.2627E+00 1.5447E+01 O6 5023 15.999400 -0.847600 1.3719E+01 -1.0200E+01 -8.2301E+00 H1 5024 1.008000 0.423800 1.4063E+01 -9.5254E+00 -8.8829E+00 H2 5025 1.008000 0.423800 1.3976E+01 -9.9287E+00 -7.3029E+00 O6 5026 15.999400 -0.847600 1.0168E+01 -9.1912E+00 -1.7245E+01 H1 5027 1.008000 0.423800 9.3214E+00 -9.5234E+00 -1.6829E+01 H2 5028 1.008000 0.423800 1.0181E+01 -8.1916E+00 -1.7221E+01 O6 5029 15.999400 -0.847600 -6.9402E+00 -6.8991E+00 5.2630E+00 H1 5030 1.008000 0.423800 -6.1697E+00 -7.0207E+00 5.8887E+00 H2 5031 1.008000 0.423800 -7.7937E+00 -7.1071E+00 5.7409E+00 O6 5032 15.999400 -0.847600 -1.8522E+01 1.5791E+01 7.6443E+00 H1 5033 1.008000 0.423800 -1.8487E+01 1.5169E+01 8.4263E+00 H2 5034 1.008000 0.423800 -1.8488E+01 1.6737E+01 7.9688E+00 O6 5035 15.999400 -0.847600 6.8004E+00 -1.2675E+01 -1.5967E+00 H1 5036 1.008000 0.423800 7.7051E+00 -1.2635E+01 -2.0209E+00 H2 5037 1.008000 0.423800 6.4071E+00 -1.1756E+01 -1.5627E+00 O6 5038 15.999400 -0.847600 7.8487E+00 1.9120E+01 5.4556E+00 H1 5039 1.008000 0.423800 8.4889E+00 1.8493E+01 5.9003E+00 H2 5040 1.008000 0.423800 8.0598E+00 1.9175E+01 4.4797E+00 O6 5041 15.999400 -0.847600 -5.1924E+00 4.4084E+00 -3.2189E+00 H1 5042 1.008000 0.423800 -6.0971E+00 4.1785E+00 -3.5775E+00 H2 5043 1.008000 0.423800 -4.8906E+00 5.2785E+00 -3.6087E+00 O6 5044 15.999400 -0.847600 7.6871E+00 1.5845E+01 7.0427E+00 H1 5045 1.008000 0.423800 7.7799E+00 1.5217E+01 6.2703E+00 H2 5046 1.008000 0.423800 8.4611E+00 1.6478E+01 7.0522E+00 O6 5047 15.999400 -0.847600 1.5730E+01 -8.2056E+00 -1.2378E+01 H1 5048 1.008000 0.423800 1.6051E+01 -8.0624E+00 -1.3315E+01 H2 5049 1.008000 0.423800 1.5492E+01 -9.1685E+00 -1.2251E+01 O6 5050 15.999400 -0.847600 -6.7772E+00 -1.5033E+00 1.7033E+01 H1 5051 1.008000 0.423800 -6.9123E+00 -6.2664E-01 1.7495E+01 H2 5052 1.008000 0.423800 -5.9348E+00 -1.4702E+00 1.6495E+01 O6 5053 15.999400 -0.847600 -9.0007E+00 -1.1498E+01 8.1559E+00 H1 5054 1.008000 0.423800 -8.9591E+00 -1.2117E+01 7.3713E+00 H2 5055 1.008000 0.423800 -8.4861E+00 -1.0666E+01 7.9512E+00 O6 5056 15.999400 -0.847600 -1.7557E+01 9.5313E+00 -6.7236E+00 H1 5057 1.008000 0.423800 -1.8251E+01 9.8233E+00 -7.3815E+00 H2 5058 1.008000 0.423800 -1.7903E+01 9.6605E+00 -5.7944E+00 O6 5059 15.999400 -0.847600 6.5046E+00 1.4310E+01 -8.2903E+00 H1 5060 1.008000 0.423800 6.3368E+00 1.4986E+01 -7.5721E+00 H2 5061 1.008000 0.423800 6.1669E+00 1.4662E+01 -9.1636E+00 O6 5062 15.999400 -0.847600 2.2769E+00 -1.2801E+01 1.5580E+01 H1 5063 1.008000 0.423800 2.7041E+00 -1.2068E+01 1.5051E+01 H2 5064 1.008000 0.423800 2.0033E+00 -1.2451E+01 1.6475E+01 O6 5065 15.999400 -0.847600 3.0722E+00 -1.9503E+01 6.7953E+00 H1 5066 1.008000 0.423800 2.6665E+00 1.8823E+01 7.2855E+00 H2 5067 1.008000 0.423800 3.9043E+00 1.9293E+01 6.3299E+00 O6 5068 15.999400 -0.847600 -1.5457E+01 1.4206E+01 1.0995E+01 H1 5069 1.008000 0.423800 -1.6191E+01 1.3787E+01 1.0460E+01 H2 5070 1.008000 0.423800 -1.4640E+01 1.3632E+01 1.0947E+01 O6 5071 15.999400 -0.847600 -1.8208E+01 8.7935E+00 3.0198E+00 H1 5072 1.008000 0.423800 -1.7322E+01 9.2229E+00 2.8456E+00 H2 5073 1.008000 0.423800 -1.8227E+01 8.4353E+00 3.9532E+00 O6 5074 15.999400 -0.847600 1.6220E+01 -1.1262E+01 1.6433E+01 H1 5075 1.008000 0.423800 1.5333E+01 -1.0826E+01 1.6581E+01 H2 5076 1.008000 0.423800 1.6107E+01 -1.2256E+01 1.6430E+01 O6 5077 15.999400 -0.847600 1.3421E+01 -1.6290E+01 1.3084E+01 H1 5078 1.008000 0.423800 1.3901E+01 -1.6862E+01 1.2418E+01 H2 5079 1.008000 0.423800 1.3744E+01 -1.5346E+01 1.3006E+01 O6 5080 15.999400 -0.847600 -5.4956E+00 -7.3414E+00 1.1380E+01 H1 5081 1.008000 0.423800 -5.5488E+00 -7.7313E+00 1.0461E+01 H2 5082 1.008000 0.423800 -6.0994E+00 -6.5466E+00 1.1440E+01 O6 5083 15.999400 -0.847600 -1.3813E+01 1.6294E+00 -1.8965E+01 H1 5084 1.008000 0.423800 -1.4150E+01 2.5040E+00 -1.9313E+01 H2 5085 1.008000 0.423800 -1.4520E+01 1.1982E+00 -1.8405E+01 O6 5086 15.999400 -0.847600 -1.6821E+01 -1.1343E+01 -1.5980E+01 H1 5087 1.008000 0.423800 -1.7603E+01 -1.1672E+01 -1.6510E+01 H2 5088 1.008000 0.423800 -1.5973E+01 -1.1599E+01 -1.6444E+01 O6 5089 15.999400 -0.847600 -1.4553E+01 -1.2463E+01 -1.7235E+01 H1 5090 1.008000 0.423800 -1.3868E+01 -1.1922E+01 -1.7723E+01 H2 5091 1.008000 0.423800 -1.4438E+01 -1.3430E+01 -1.7463E+01 O6 5092 15.999400 -0.847600 -1.5835E+01 -1.6819E+01 1.7035E+01 H1 5093 1.008000 0.423800 -1.4983E+01 -1.6413E+01 1.7365E+01 H2 5094 1.008000 0.423800 -1.6424E+01 -1.6102E+01 1.6662E+01 O6 5095 15.999400 -0.847600 7.4125E-01 -7.3887E+00 1.6140E+01 H1 5096 1.008000 0.423800 5.2490E-01 -7.0840E+00 1.7067E+01 H2 5097 1.008000 0.423800 3.3833E-01 -8.2903E+00 1.5982E+01 O6 5098 15.999400 -0.847600 7.8926E+00 -1.7696E+01 -9.6068E+00 H1 5099 1.008000 0.423800 8.0927E+00 -1.8428E+01 -8.9551E+00 H2 5100 1.008000 0.423800 6.9595E+00 -1.7367E+01 -9.4620E+00 O6 5101 15.999400 -0.847600 1.0344E+01 -6.5031E+00 -1.6982E+01 H1 5102 1.008000 0.423800 1.1271E+01 -6.2502E+00 -1.6703E+01 H2 5103 1.008000 0.423800 9.8181E+00 -5.6758E+00 -1.7179E+01 O6 5104 15.999400 -0.847600 5.7388E+00 -1.4710E+01 -1.4465E+01 H1 5105 1.008000 0.423800 5.1798E+00 -1.4688E+01 -1.3636E+01 H2 5106 1.008000 0.423800 6.4693E+00 -1.5385E+01 -1.4356E+01 O6 5107 15.999400 -0.847600 4.2110E-01 2.0119E+00 1.8822E+01 H1 5108 1.008000 0.423800 1.4378E-01 2.8592E+00 1.8369E+01 H2 5109 1.008000 0.423800 -2.0783E-01 1.8149E+00 -1.9524E+01 O6 5110 15.999400 -0.847600 -4.3734E+00 7.2139E+00 -3.2894E+00 H1 5111 1.008000 0.423800 -5.0457E+00 7.3746E+00 -2.5668E+00 H2 5112 1.008000 0.423800 -3.4517E+00 7.2695E+00 -2.9056E+00 O6 5113 15.999400 -0.847600 1.4818E+01 1.1886E+01 -9.8526E+00 H1 5114 1.008000 0.423800 1.4298E+01 1.1094E+01 -9.5347E+00 H2 5115 1.008000 0.423800 1.4697E+01 1.2643E+01 -9.2105E+00 O6 5116 15.999400 -0.847600 5.6203E+00 -1.8649E+01 -2.8398E+00 H1 5117 1.008000 0.423800 6.0893E+00 -1.8107E+01 -2.1426E+00 H2 5118 1.008000 0.423800 5.0074E+00 -1.9303E+01 -2.3968E+00 O6 5119 15.999400 -0.847600 7.5708E+00 -1.0637E+01 -8.9566E+00 H1 5120 1.008000 0.423800 8.4133E+00 -1.0271E+01 -9.3523E+00 H2 5121 1.008000 0.423800 7.2935E+00 -1.0070E+01 -8.1808E+00 O6 5122 15.999400 -0.847600 -1.7919E+00 7.8520E+00 -6.0819E+00 H1 5123 1.008000 0.423800 -1.3072E+00 7.1566E+00 -6.6126E+00 H2 5124 1.008000 0.423800 -2.7761E+00 7.6815E+00 -6.1294E+00 O6 5125 15.999400 -0.847600 -2.8589E+00 -1.1065E+01 3.4784E+00 H1 5126 1.008000 0.423800 -3.6453E+00 -1.0706E+01 2.9758E+00 H2 5127 1.008000 0.423800 -2.2554E+00 -1.0310E+01 3.7362E+00 O6 5128 15.999400 -0.847600 -1.4217E+00 6.4186E+00 -3.5141E+00 H1 5129 1.008000 0.423800 -1.5611E+00 7.1277E+00 -4.2053E+00 H2 5130 1.008000 0.423800 -5.7539E-01 6.6023E+00 -3.0141E+00 O6 5131 15.999400 -0.847600 -2.0818E+00 1.2493E+01 1.8761E+01 H1 5132 1.008000 0.423800 -1.9220E+00 1.1771E+01 1.8088E+01 H2 5133 1.008000 0.423800 -2.6163E+00 1.2126E+01 1.9522E+01 O6 5134 15.999400 -0.847600 1.7876E+01 -1.6866E+01 1.7724E+01 H1 5135 1.008000 0.423800 1.7118E+01 -1.7048E+01 1.8351E+01 H2 5136 1.008000 0.423800 1.8357E+01 -1.6039E+01 1.8014E+01 O6 5137 15.999400 -0.847600 1.1803E+01 1.4763E+01 -5.4169E+00 H1 5138 1.008000 0.423800 1.1895E+01 1.5736E+01 -5.2058E+00 H2 5139 1.008000 0.423800 1.1476E+01 1.4655E+01 -6.3557E+00 O6 5140 15.999400 -0.847600 1.4949E+00 -1.2421E+01 -1.1803E+01 H1 5141 1.008000 0.423800 1.0718E+00 -1.3315E+01 -1.1947E+01 H2 5142 1.008000 0.423800 2.2150E+00 -1.2279E+01 -1.2482E+01 O6 5143 15.999400 -0.847600 3.0233E+00 -7.6726E+00 -2.6936E+00 H1 5144 1.008000 0.423800 2.1033E+00 -7.8621E+00 -3.0366E+00 H2 5145 1.008000 0.423800 3.0239E+00 -6.7996E+00 -2.2058E+00 O6 5146 15.999400 -0.847600 -8.1980E+00 6.4284E+00 -1.1838E+01 H1 5147 1.008000 0.423800 -8.0936E+00 7.3046E+00 -1.1367E+01 H2 5148 1.008000 0.423800 -8.6490E+00 6.5746E+00 -1.2718E+01 O6 5149 15.999400 -0.847600 7.7466E+00 9.2480E+00 -1.8471E+01 H1 5150 1.008000 0.423800 7.5679E+00 9.8830E+00 -1.9222E+01 H2 5151 1.008000 0.423800 7.9909E+00 8.3523E+00 -1.8842E+01 O6 5152 15.999400 -0.847600 -1.7751E+01 7.4983E+00 7.3756E-01 H1 5153 1.008000 0.423800 -1.7689E+01 6.5305E+00 9.8123E-01 H2 5154 1.008000 0.423800 -1.7851E+01 8.0454E+00 1.5686E+00 O6 5155 15.999400 -0.847600 -9.0481E+00 -1.6781E+01 -8.0080E+00 H1 5156 1.008000 0.423800 -8.6737E+00 -1.6262E+01 -7.2390E+00 H2 5157 1.008000 0.423800 -8.5444E+00 -1.7639E+01 -8.1084E+00 O6 5158 15.999400 -0.847600 1.7080E+01 -9.1622E-02 -1.3598E+01 H1 5159 1.008000 0.423800 1.7232E+01 -7.8246E-02 -1.2609E+01 H2 5160 1.008000 0.423800 1.6877E+01 -1.0257E+00 -1.3891E+01 O6 5161 15.999400 -0.847600 -4.9845E+00 9.2452E+00 1.5750E+01 H1 5162 1.008000 0.423800 -4.9202E+00 1.0133E+01 1.5295E+01 H2 5163 1.008000 0.423800 -4.0996E+00 8.7818E+00 1.5704E+01 O6 5164 15.999400 -0.847600 3.2622E+00 -6.3991E+00 1.5309E+01 H1 5165 1.008000 0.423800 2.2817E+00 -6.5634E+00 1.5417E+01 H2 5166 1.008000 0.423800 3.4493E+00 -6.1025E+00 1.4372E+01 O6 5167 15.999400 -0.847600 9.3671E+00 -3.6127E+00 2.7344E-01 H1 5168 1.008000 0.423800 9.4737E+00 -3.3632E+00 1.2359E+00 H2 5169 1.008000 0.423800 8.4674E+00 -3.3187E+00 -4.9359E-02 O6 5170 15.999400 -0.847600 -1.3225E+01 -1.6418E+01 1.8326E+01 H1 5171 1.008000 0.423800 -1.3827E+01 -1.5623E+01 1.8399E+01 H2 5172 1.008000 0.423800 -1.2780E+01 -1.6581E+01 1.9207E+01 O6 5173 15.999400 -0.847600 -7.8889E+00 1.3985E+01 -1.3644E+01 H1 5174 1.008000 0.423800 -7.0898E+00 1.4223E+01 -1.4197E+01 H2 5175 1.008000 0.423800 -8.0761E+00 1.4722E+01 -1.2995E+01 O6 5176 15.999400 -0.847600 -1.0516E+00 1.9304E+01 -1.7611E+01 H1 5177 1.008000 0.423800 -8.4000E-02 1.9547E+01 -1.7679E+01 H2 5178 1.008000 0.423800 -1.5325E+00 -1.9480E+01 -1.8429E+01 O6 5179 15.999400 -0.847600 5.1830E+00 1.1748E+01 -1.7564E+00 H1 5180 1.008000 0.423800 4.3503E+00 1.1805E+01 -2.3072E+00 H2 5181 1.008000 0.423800 4.9832E+00 1.1277E+01 -8.9754E-01 O6 5182 15.999400 -0.847600 9.1396E+00 -5.7081E+00 6.0839E+00 H1 5183 1.008000 0.423800 9.4262E+00 -4.7697E+00 5.8907E+00 H2 5184 1.008000 0.423800 9.9231E+00 -6.3221E+00 5.9887E+00 O6 5185 15.999400 -0.847600 -1.6504E+01 -1.9118E+01 -8.7909E+00 H1 5186 1.008000 0.423800 -1.5696E+01 1.9498E+01 -9.1324E+00 H2 5187 1.008000 0.423800 -1.6704E+01 -1.9422E+01 -7.8596E+00 O6 5188 15.999400 -0.847600 1.8312E+01 -4.0506E+00 2.6398E+00 H1 5189 1.008000 0.423800 1.8283E+01 -3.2407E+00 2.0538E+00 H2 5190 1.008000 0.423800 1.7673E+01 -4.7370E+00 2.2916E+00 O6 5191 15.999400 -0.847600 4.4449E+00 -7.1069E+00 2.9148E+00 H1 5192 1.008000 0.423800 4.3122E+00 -8.0047E+00 3.3348E+00 H2 5193 1.008000 0.423800 5.1401E+00 -6.6000E+00 3.4245E+00 O6 5194 15.999400 -0.847600 1.0961E+01 5.9206E+00 9.7756E+00 H1 5195 1.008000 0.423800 1.1266E+01 5.1649E+00 9.1960E+00 H2 5196 1.008000 0.423800 1.0199E+01 5.6161E+00 1.0347E+01 O6 5197 15.999400 -0.847600 -9.6317E+00 4.5623E+00 -1.8408E+01 H1 5198 1.008000 0.423800 -1.0059E+01 3.9339E+00 -1.9058E+01 H2 5199 1.008000 0.423800 -8.6370E+00 4.4965E+00 -1.8487E+01 O6 5200 15.999400 -0.847600 1.4524E+01 -1.2490E+01 3.6419E+00 H1 5201 1.008000 0.423800 1.4537E+01 -1.3475E+01 3.8136E+00 H2 5202 1.008000 0.423800 1.4725E+01 -1.2001E+01 4.4910E+00 O6 5203 15.999400 -0.847600 3.9793E+00 1.9303E+01 -1.6111E+01 H1 5204 1.008000 0.423800 3.2843E+00 1.9330E+01 -1.6830E+01 H2 5205 1.008000 0.423800 3.8104E+00 -1.9058E+01 -1.5456E+01 O6 5206 15.999400 -0.847600 3.0675E+00 -1.3387E+01 6.0272E+00 H1 5207 1.008000 0.423800 3.6159E+00 -1.4223E+01 6.0035E+00 H2 5208 1.008000 0.423800 2.6590E+00 -1.3282E+01 6.9339E+00 O6 5209 15.999400 -0.847600 1.6209E+01 -1.2015E+01 1.5498E+00 H1 5210 1.008000 0.423800 1.6498E+01 -1.1283E+01 2.1672E+00 H2 5211 1.008000 0.423800 1.5524E+01 -1.2584E+01 2.0042E+00 O6 5212 15.999400 -0.847600 -8.0971E+00 5.8175E+00 1.1660E+01 H1 5213 1.008000 0.423800 -8.9484E+00 5.6339E+00 1.2152E+01 H2 5214 1.008000 0.423800 -7.7313E+00 4.9612E+00 1.1296E+01 O6 5215 15.999400 -0.847600 1.6691E+01 -1.0347E+01 1.0513E+01 H1 5216 1.008000 0.423800 1.6965E+01 -1.1191E+01 1.0052E+01 H2 5217 1.008000 0.423800 1.7037E+01 -1.0352E+01 1.1451E+01 O6 5218 15.999400 -0.847600 1.8643E+00 -3.1052E+00 1.1337E+01 H1 5219 1.008000 0.423800 1.6251E+00 -3.6524E+00 1.0535E+01 H2 5220 1.008000 0.423800 1.0410E+00 -2.6696E+00 1.1701E+01 O6 5221 15.999400 -0.847600 -4.4468E+00 1.8118E+01 -6.3261E+00 H1 5222 1.008000 0.423800 -5.2186E+00 1.7501E+01 -6.1727E+00 H2 5223 1.008000 0.423800 -3.6966E+00 1.7873E+01 -5.7124E+00 O6 5224 15.999400 -0.847600 -1.4193E+01 -3.2201E+00 -3.3157E+00 H1 5225 1.008000 0.423800 -1.4517E+01 -2.5350E+00 -2.6633E+00 H2 5226 1.008000 0.423800 -1.3474E+01 -2.8230E+00 -3.8867E+00 O6 5227 15.999400 -0.847600 -1.2474E+01 1.5771E+01 -1.2557E+01 H1 5228 1.008000 0.423800 -1.1768E+01 1.6478E+01 -1.2594E+01 H2 5229 1.008000 0.423800 -1.3143E+01 1.5930E+01 -1.3283E+01 O6 5230 15.999400 -0.847600 9.0319E+00 -9.9475E+00 -1.2494E+01 H1 5231 1.008000 0.423800 8.1652E+00 -1.0228E+01 -1.2907E+01 H2 5232 1.008000 0.423800 9.7911E+00 -1.0304E+01 -1.3039E+01 O6 5233 15.999400 -0.847600 -7.1037E+00 -4.8766E+00 -1.5077E+01 H1 5234 1.008000 0.423800 -7.7682E+00 -4.2428E+00 -1.4681E+01 H2 5235 1.008000 0.423800 -6.6563E+00 -5.3904E+00 -1.4345E+01 O6 5236 15.999400 -0.847600 5.8054E+00 1.0590E+01 -6.8377E+00 H1 5237 1.008000 0.423800 5.0338E+00 1.0445E+01 -6.2185E+00 H2 5238 1.008000 0.423800 6.4353E+00 1.1254E+01 -6.4349E+00 O6 5239 15.999400 -0.847600 8.7225E+00 -3.8183E+00 1.1588E+01 H1 5240 1.008000 0.423800 8.3125E+00 -3.3414E+00 1.2366E+01 H2 5241 1.008000 0.423800 8.0048E+00 -4.2695E+00 1.1058E+01 O6 5242 15.999400 -0.847600 4.0120E+00 -5.2588E+00 1.3102E+01 H1 5243 1.008000 0.423800 3.8996E+00 -4.2670E+00 1.3042E+01 H2 5244 1.008000 0.423800 4.2430E+00 -5.6237E+00 1.2200E+01 O6 5245 15.999400 -0.847600 -1.6566E+01 -1.1346E+01 3.8175E-01 H1 5246 1.008000 0.423800 -1.7360E+01 -1.1616E+01 9.2672E-01 H2 5247 1.008000 0.423800 -1.6849E+01 -1.0689E+01 -3.1670E-01 O6 5248 15.999400 -0.847600 -1.0842E+01 -1.6151E+01 6.7258E+00 H1 5249 1.008000 0.423800 -9.9528E+00 -1.6127E+01 7.1827E+00 H2 5250 1.008000 0.423800 -1.0708E+01 -1.6159E+01 5.7349E+00 O6 5251 15.999400 -0.847600 1.6776E+01 -5.9631E+00 1.6827E+00 H1 5252 1.008000 0.423800 1.6851E+01 -6.7766E+00 1.1061E+00 H2 5253 1.008000 0.423800 1.6247E+01 -6.1833E+00 2.5024E+00 O6 5254 15.999400 -0.847600 -2.1551E+00 1.1475E+01 1.2925E+01 H1 5255 1.008000 0.423800 -1.2753E+00 1.1089E+01 1.3203E+01 H2 5256 1.008000 0.423800 -2.0002E+00 1.2278E+01 1.2350E+01 O6 5257 15.999400 -0.847600 -1.7219E+01 -1.9500E+01 1.3082E+01 H1 5258 1.008000 0.423800 -1.8073E+01 -1.9229E+01 1.3527E+01 H2 5259 1.008000 0.423800 -1.6445E+01 -1.9111E+01 1.3582E+01 O6 5260 15.999400 -0.847600 5.7927E+00 -4.1455E+00 4.9244E+00 H1 5261 1.008000 0.423800 5.8843E+00 -3.4397E+00 5.6268E+00 H2 5262 1.008000 0.423800 6.1088E+00 -5.0214E+00 5.2888E+00 O6 5263 15.999400 -0.847600 1.0078E+01 1.4196E+01 -1.1871E+01 H1 5264 1.008000 0.423800 1.0509E+01 1.3605E+01 -1.2553E+01 H2 5265 1.008000 0.423800 1.0012E+01 1.3708E+01 -1.1001E+01 O6 5266 15.999400 -0.847600 7.1734E+00 -6.3991E+00 -1.2778E+01 H1 5267 1.008000 0.423800 6.8220E+00 -6.2850E+00 -1.1849E+01 H2 5268 1.008000 0.423800 7.0381E+00 -5.5520E+00 -1.3292E+01 O6 5269 15.999400 -0.847600 3.5673E+00 -1.3503E+01 -6.8308E-02 H1 5270 1.008000 0.423800 2.9971E+00 -1.3875E+01 6.6423E-01 H2 5271 1.008000 0.423800 4.1390E+00 -1.2768E+01 2.9517E-01 O6 5272 15.999400 -0.847600 1.3675E+00 -7.0844E+00 1.2622E+01 H1 5273 1.008000 0.423800 1.4836E+00 -8.0281E+00 1.2932E+01 H2 5274 1.008000 0.423800 6.5161E-01 -7.0483E+00 1.1924E+01 O6 5275 15.999400 -0.847600 -1.4818E+01 1.9257E+01 -1.6948E+01 H1 5276 1.008000 0.423800 -1.5077E+01 1.9071E+01 -1.6000E+01 H2 5277 1.008000 0.423800 -1.5148E+01 1.8517E+01 -1.7535E+01 O6 5278 15.999400 -0.847600 -1.6968E+01 -3.2526E+00 1.0408E+01 H1 5279 1.008000 0.423800 -1.7569E+01 -3.2579E+00 9.6089E+00 H2 5280 1.008000 0.423800 -1.7321E+01 -3.8884E+00 1.1095E+01 O6 5281 15.999400 -0.847600 -1.5808E+01 1.7503E+01 -1.8635E+01 H1 5282 1.008000 0.423800 -1.5737E+01 1.7929E+01 -1.9537E+01 H2 5283 1.008000 0.423800 -1.6664E+01 1.6988E+01 -1.8576E+01 O6 5284 15.999400 -0.847600 1.9021E+01 -1.8965E+00 7.6746E+00 H1 5285 1.008000 0.423800 1.9260E+01 -2.8433E+00 7.8900E+00 H2 5286 1.008000 0.423800 1.9518E+01 -1.6047E+00 6.8576E+00 O6 5287 15.999400 -0.847600 3.9682E+00 -8.1025E+00 1.9505E+01 H1 5288 1.008000 0.423800 3.0618E+00 -8.4990E+00 -1.9447E+01 H2 5289 1.008000 0.423800 3.9315E+00 -7.4600E+00 1.8740E+01 O6 5290 15.999400 -0.847600 -6.8842E-01 -6.2475E+00 -1.5987E+01 H1 5291 1.008000 0.423800 -9.1519E-01 -6.4591E+00 -1.6938E+01 H2 5292 1.008000 0.423800 -1.5305E+00 -6.1644E+00 -1.5455E+01 O6 5293 15.999400 -0.847600 5.8403E+00 1.7235E+01 -8.5534E+00 H1 5294 1.008000 0.423800 5.6211E+00 1.7741E+01 -9.3880E+00 H2 5295 1.008000 0.423800 4.9948E+00 1.7004E+01 -8.0723E+00 O6 5296 15.999400 -0.847600 4.2238E+00 9.9543E-02 -1.5610E+01 H1 5297 1.008000 0.423800 4.4038E+00 -4.6869E-01 -1.4807E+01 H2 5298 1.008000 0.423800 4.6010E+00 1.0139E+00 -1.5462E+01 O6 5299 15.999400 -0.847600 -1.5311E+00 8.7353E+00 -1.2991E+01 H1 5300 1.008000 0.423800 -5.5353E-01 8.5281E+00 -1.3028E+01 H2 5301 1.008000 0.423800 -1.8416E+00 8.7077E+00 -1.2041E+01 O6 5302 15.999400 -0.847600 3.2977E+00 1.5725E+01 7.1087E+00 H1 5303 1.008000 0.423800 2.8428E+00 1.6005E+01 7.9542E+00 H2 5304 1.008000 0.423800 4.0406E+00 1.5091E+01 7.3238E+00 O6 5305 15.999400 -0.847600 -1.0533E+01 1.4345E+01 -3.0380E+00 H1 5306 1.008000 0.423800 -9.8475E+00 1.3754E+01 -2.6120E+00 H2 5307 1.008000 0.423800 -1.0198E+01 1.4656E+01 -3.9275E+00 O6 5308 15.999400 -0.847600 -5.5917E+00 -1.3947E+01 -1.0915E+01 H1 5309 1.008000 0.423800 -5.0944E+00 -1.4778E+01 -1.1164E+01 H2 5310 1.008000 0.423800 -6.2063E+00 -1.4142E+01 -1.0151E+01 O6 5311 15.999400 -0.847600 -9.5850E+00 -1.4730E+01 -1.3154E+01 H1 5312 1.008000 0.423800 -9.4719E+00 -1.5721E+01 -1.3226E+01 H2 5313 1.008000 0.423800 -1.0385E+01 -1.4447E+01 -1.3683E+01 O6 5314 15.999400 -0.847600 2.3579E+00 -1.1156E+01 1.7986E+01 H1 5315 1.008000 0.423800 2.1570E+00 -1.0296E+01 1.8454E+01 H2 5316 1.008000 0.423800 3.1491E+00 -1.1033E+01 1.7387E+01 O6 5317 15.999400 -0.847600 -1.0042E+01 7.8764E+00 -5.2466E+00 H1 5318 1.008000 0.423800 -9.7770E+00 7.3065E+00 -4.4688E+00 H2 5319 1.008000 0.423800 -9.7781E+00 7.4225E+00 -6.0976E+00 O6 5320 15.999400 -0.847600 -1.3153E+01 1.6122E+01 -8.5923E+00 H1 5321 1.008000 0.423800 -1.3083E+01 1.5893E+01 -7.6215E+00 H2 5322 1.008000 0.423800 -1.2368E+01 1.5743E+01 -9.0819E+00 O6 5323 15.999400 -0.847600 6.3473E+00 9.8031E-01 -3.0476E+00 H1 5324 1.008000 0.423800 5.7628E+00 1.5490E+00 -3.6264E+00 H2 5325 1.008000 0.423800 5.9245E+00 8.7600E-01 -2.1474E+00 O6 5326 15.999400 -0.847600 -1.5078E+01 -9.7895E+00 -4.2525E+00 H1 5327 1.008000 0.423800 -1.5300E+01 -9.5581E+00 -3.3054E+00 H2 5328 1.008000 0.423800 -1.4885E+01 -8.9519E+00 -4.7638E+00 O6 5329 15.999400 -0.847600 7.8979E+00 -1.2609E+01 3.6883E+00 H1 5330 1.008000 0.423800 7.0985E+00 -1.2597E+01 4.2890E+00 H2 5331 1.008000 0.423800 7.7457E+00 -1.3258E+01 2.9430E+00 O6 5332 15.999400 -0.847600 -5.9022E+00 1.2416E+01 5.8582E+00 H1 5333 1.008000 0.423800 -6.3102E+00 1.3147E+01 6.4055E+00 H2 5334 1.008000 0.423800 -5.8522E+00 1.1580E+01 6.4038E+00 O6 5335 15.999400 -0.847600 1.9010E+01 -2.5614E+00 4.8983E+00 H1 5336 1.008000 0.423800 1.8596E+01 -3.0406E+00 4.1245E+00 H2 5337 1.008000 0.423800 -1.9093E+01 -2.5463E+00 4.7876E+00 O6 5338 15.999400 -0.847600 -1.3947E+01 1.1075E+00 -3.2002E-01 H1 5339 1.008000 0.423800 -1.4025E+01 9.8089E-01 -1.3089E+00 H2 5340 1.008000 0.423800 -1.3999E+01 2.1849E-01 1.3491E-01 O6 5341 15.999400 -0.847600 -1.3302E+01 -1.2067E+01 -1.4302E+01 H1 5342 1.008000 0.423800 -1.3793E+01 -1.2095E+01 -1.3431E+01 H2 5343 1.008000 0.423800 -1.3961E+01 -1.2047E+01 -1.5054E+01 O6 5344 15.999400 -0.847600 -1.7047E+01 -7.3529E-01 -9.9676E+00 H1 5345 1.008000 0.423800 -1.6244E+01 -9.7814E-01 -9.4229E+00 H2 5346 1.008000 0.423800 -1.6770E+01 -1.4351E-01 -1.0724E+01 O6 5347 15.999400 -0.847600 1.6327E+01 7.8494E+00 1.9441E+01 H1 5348 1.008000 0.423800 1.6014E+01 7.4391E+00 1.8584E+01 H2 5349 1.008000 0.423800 1.6632E+01 8.7863E+00 1.9269E+01 O6 5350 15.999400 -0.847600 -1.3950E+01 -1.5630E+01 1.1414E+00 H1 5351 1.008000 0.423800 -1.3824E+01 -1.5432E+01 2.1135E+00 H2 5352 1.008000 0.423800 -1.4177E+01 -1.4786E+01 6.5621E-01 O6 5353 15.999400 -0.847600 1.1949E+01 -1.1724E+01 6.9091E+00 H1 5354 1.008000 0.423800 1.1380E+01 -1.1751E+01 6.0875E+00 H2 5355 1.008000 0.423800 1.2600E+01 -1.2484E+01 6.8890E+00 O6 5356 15.999400 -0.847600 5.0824E+00 -1.5999E+01 3.1462E+00 H1 5357 1.008000 0.423800 4.9130E+00 -1.6053E+01 4.1303E+00 H2 5358 1.008000 0.423800 4.8471E+00 -1.5084E+01 2.8171E+00 O6 5359 15.999400 -0.847600 1.8417E+00 -1.7075E+01 1.2264E+01 H1 5360 1.008000 0.423800 1.9128E+00 -1.6223E+01 1.2784E+01 H2 5361 1.008000 0.423800 2.7585E+00 -1.7418E+01 1.2060E+01 O6 5362 15.999400 -0.847600 1.1525E+01 1.7748E+01 4.5690E+00 H1 5363 1.008000 0.423800 1.2037E+01 1.7564E+01 3.7296E+00 H2 5364 1.008000 0.423800 1.1631E+01 1.8711E+01 4.8193E+00 O6 5365 15.999400 -0.847600 -1.0649E+01 -1.1977E+01 -1.2146E+00 H1 5366 1.008000 0.423800 -1.0261E+01 -1.2308E+01 -3.5418E-01 H2 5367 1.008000 0.423800 -1.0953E+01 -1.2755E+01 -1.7642E+00 O6 5368 15.999400 -0.847600 5.3095E+00 1.5996E+01 -1.5763E+00 H1 5369 1.008000 0.423800 5.9342E+00 1.5304E+01 -1.2144E+00 H2 5370 1.008000 0.423800 5.7990E+00 1.6861E+01 -1.6882E+00 O6 5371 15.999400 -0.847600 -1.2740E+01 -1.7966E+00 -5.0066E+00 H1 5372 1.008000 0.423800 -1.2302E+01 -1.6290E+00 -5.8898E+00 H2 5373 1.008000 0.423800 -1.3283E+01 -9.9800E-01 -4.7470E+00 O6 5374 15.999400 -0.847600 1.7608E+01 -5.4844E+00 -1.8205E+01 H1 5375 1.008000 0.423800 1.7713E+01 -4.5410E+00 -1.7890E+01 H2 5376 1.008000 0.423800 1.6929E+01 -5.9510E+00 -1.7637E+01 O6 5377 15.999400 -0.847600 3.6666E+00 1.7265E+01 1.4801E+01 H1 5378 1.008000 0.423800 4.2568E+00 1.6570E+01 1.4390E+01 H2 5379 1.008000 0.423800 4.1524E+00 1.7714E+01 1.5551E+01 O6 5380 15.999400 -0.847600 8.0094E+00 1.1583E+01 1.3113E+01 H1 5381 1.008000 0.423800 8.9660E+00 1.1870E+01 1.3162E+01 H2 5382 1.008000 0.423800 7.9404E+00 1.0614E+01 1.3350E+01 O6 5383 15.999400 -0.847600 1.2409E+01 1.2142E+01 -1.1934E+01 H1 5384 1.008000 0.423800 1.3040E+01 1.1949E+01 -1.1182E+01 H2 5385 1.008000 0.423800 1.2493E+01 1.1431E+01 -1.2631E+01 O6 5386 15.999400 -0.847600 -1.5761E+01 -6.3606E+00 1.5520E+01 H1 5387 1.008000 0.423800 -1.6475E+01 -7.0054E+00 1.5792E+01 H2 5388 1.008000 0.423800 -1.6183E+01 -5.5294E+00 1.5158E+01 O6 5389 15.999400 -0.847600 -1.3355E+01 1.4677E+01 1.9242E+01 H1 5390 1.008000 0.423800 -1.3534E+01 1.5295E+01 1.8476E+01 H2 5391 1.008000 0.423800 -1.2388E+01 1.4724E+01 1.9489E+01 O6 5392 15.999400 -0.847600 -1.4937E+01 -1.4853E+00 -8.3583E+00 H1 5393 1.008000 0.423800 -1.5432E+01 -1.8425E+00 -7.5661E+00 H2 5394 1.008000 0.423800 -1.4367E+01 -2.2083E+00 -8.7493E+00 O6 5395 15.999400 -0.847600 -3.7381E+00 7.5337E+00 1.1262E+00 H1 5396 1.008000 0.423800 -4.3025E+00 7.2816E+00 3.4011E-01 H2 5397 1.008000 0.423800 -4.1218E+00 7.1280E+00 1.9557E+00 O6 5398 15.999400 -0.847600 9.6350E+00 1.3658E+01 -1.8528E+01 H1 5399 1.008000 0.423800 9.5943E+00 1.4570E+01 -1.8120E+01 H2 5400 1.008000 0.423800 9.1052E+00 1.3019E+01 -1.7971E+01 O6 5401 15.999400 -0.847600 1.2552E+01 3.1732E+00 -8.0538E-01 H1 5402 1.008000 0.423800 1.2029E+01 2.7937E+00 -1.5682E+00 H2 5403 1.008000 0.423800 1.2160E+01 2.8569E+00 5.8248E-02 O6 5404 15.999400 -0.847600 3.4879E-01 1.1963E+01 9.5824E+00 H1 5405 1.008000 0.423800 1.2080E+00 1.1751E+01 9.1166E+00 H2 5406 1.008000 0.423800 4.9384E-01 1.2717E+01 1.0222E+01 O6 5407 15.999400 -0.847600 -1.7944E+00 -8.9337E+00 1.0350E+01 H1 5408 1.008000 0.423800 -1.8071E+00 -8.5664E+00 1.1280E+01 H2 5409 1.008000 0.423800 -2.3906E+00 -8.3829E+00 9.7656E+00 O6 5410 15.999400 -0.847600 1.3405E+01 3.5707E+00 -8.2805E+00 H1 5411 1.008000 0.423800 1.2837E+01 3.2149E+00 -7.5384E+00 H2 5412 1.008000 0.423800 1.4318E+01 3.1662E+00 -8.2247E+00 O6 5413 15.999400 -0.847600 4.0175E+00 -1.9522E+01 1.4033E+00 H1 5414 1.008000 0.423800 3.3844E+00 -1.8909E+01 1.8765E+00 H2 5415 1.008000 0.423800 4.2710E+00 1.8824E+01 2.0116E+00 O6 5416 15.999400 -0.847600 -8.5286E+00 6.8202E+00 2.4923E+00 H1 5417 1.008000 0.423800 -9.1990E+00 6.3296E+00 1.9356E+00 H2 5418 1.008000 0.423800 -8.6058E+00 7.8019E+00 2.3187E+00 O6 5419 15.999400 -0.847600 1.5024E+01 1.3161E+01 -1.8044E+01 H1 5420 1.008000 0.423800 1.5179E+01 1.2354E+01 -1.7475E+01 H2 5421 1.008000 0.423800 1.4043E+01 1.3352E+01 -1.8091E+01 O6 5422 15.999400 -0.847600 5.4745E+00 7.1701E+00 -9.5150E+00 H1 5423 1.008000 0.423800 5.3798E+00 6.7113E+00 -1.0399E+01 H2 5424 1.008000 0.423800 4.6809E+00 6.9603E+00 -8.9439E+00 O6 5425 15.999400 -0.847600 -5.2345E+00 -9.4236E+00 9.5695E+00 H1 5426 1.008000 0.423800 -4.8414E+00 -9.7375E+00 8.7053E+00 H2 5427 1.008000 0.423800 -4.7410E+00 -9.8424E+00 1.0332E+01 O6 5428 15.999400 -0.847600 -1.7665E+01 -1.6753E+01 -5.0070E+00 H1 5429 1.008000 0.423800 -1.8589E+01 -1.7096E+01 -4.8398E+00 H2 5430 1.008000 0.423800 -1.7327E+01 -1.6293E+01 -4.1859E+00 O6 5431 15.999400 -0.847600 -1.7077E+01 -1.4756E+01 7.8780E+00 H1 5432 1.008000 0.423800 -1.7115E+01 -1.3978E+01 7.2503E+00 H2 5433 1.008000 0.423800 -1.7853E+01 -1.4715E+01 8.5076E+00 O6 5434 15.999400 -0.847600 -1.8192E+01 1.7250E+01 1.2094E+01 H1 5435 1.008000 0.423800 -1.7991E+01 1.8048E+01 1.2662E+01 H2 5436 1.008000 0.423800 -1.8274E+01 1.6440E+01 1.2675E+01 O6 5437 15.999400 -0.847600 3.3151E+00 -3.1719E+00 1.8550E+01 H1 5438 1.008000 0.423800 4.0189E+00 -2.8434E+00 1.9180E+01 H2 5439 1.008000 0.423800 2.4423E+00 -2.7354E+00 1.8769E+01 O6 5440 15.999400 -0.847600 -1.6413E+01 7.6598E+00 9.9389E+00 H1 5441 1.008000 0.423800 -1.7256E+01 7.7031E+00 9.4016E+00 H2 5442 1.008000 0.423800 -1.5992E+01 6.7598E+00 9.8264E+00 O6 5443 15.999400 -0.847600 -7.1514E+00 1.2591E+01 -1.0982E+01 H1 5444 1.008000 0.423800 -8.0614E+00 1.2388E+01 -1.1344E+01 H2 5445 1.008000 0.423800 -7.2263E+00 1.3273E+01 -1.0255E+01 O6 5446 15.999400 -0.847600 9.7081E+00 -7.1327E+00 -1.2177E+01 H1 5447 1.008000 0.423800 9.5483E+00 -8.1161E+00 -1.2090E+01 H2 5448 1.008000 0.423800 8.8486E+00 -6.6741E+00 -1.2402E+01 O6 5449 15.999400 -0.847600 1.1039E+01 3.4277E-01 1.4472E+01 H1 5450 1.008000 0.423800 1.1029E+01 5.5489E-01 1.3495E+01 H2 5451 1.008000 0.423800 1.0955E+01 -6.4559E-01 1.4599E+01 O6 5452 15.999400 -0.847600 1.2251E+01 1.1905E+01 5.7504E+00 H1 5453 1.008000 0.423800 1.2167E+01 1.2047E+01 6.7366E+00 H2 5454 1.008000 0.423800 1.1388E+01 1.1554E+01 5.3891E+00 O6 5455 15.999400 -0.847600 2.0709E+00 1.0831E+01 2.3674E+00 H1 5456 1.008000 0.423800 1.2028E+00 1.0336E+01 2.4088E+00 H2 5457 1.008000 0.423800 1.9906E+00 1.1591E+01 1.7231E+00 O6 5458 15.999400 -0.847600 -9.0234E+00 -1.6267E+01 1.9031E+01 H1 5459 1.008000 0.423800 -9.2091E+00 -1.5308E+01 1.8816E+01 H2 5460 1.008000 0.423800 -9.5877E+00 -1.6550E+01 -1.9290E+01 O6 5461 15.999400 -0.847600 -4.1152E+00 -8.3087E+00 -1.1598E+01 H1 5462 1.008000 0.423800 -4.6348E+00 -8.1881E+00 -1.2444E+01 H2 5463 1.008000 0.423800 -4.0169E+00 -7.4260E+00 -1.1138E+01 O6 5464 15.999400 -0.847600 -1.0582E+01 -1.0663E+01 3.0890E+00 H1 5465 1.008000 0.423800 -1.1170E+01 -1.0524E+01 3.8862E+00 H2 5466 1.008000 0.423800 -9.6866E+00 -1.0992E+01 3.3882E+00 O6 5467 15.999400 -0.847600 -7.1280E+00 -5.1423E+00 1.1558E+01 H1 5468 1.008000 0.423800 -7.6634E+00 -4.4074E+00 1.1975E+01 H2 5469 1.008000 0.423800 -6.7365E+00 -4.8218E+00 1.0696E+01 O6 5470 15.999400 -0.847600 1.8233E+01 5.0455E+00 9.0245E+00 H1 5471 1.008000 0.423800 1.8297E+01 4.0639E+00 8.8447E+00 H2 5472 1.008000 0.423800 1.8542E+01 5.5525E+00 8.2198E+00 O6 5473 15.999400 -0.847600 -5.1321E+00 -1.6902E+01 1.0533E+01 H1 5474 1.008000 0.423800 -5.5175E+00 -1.6031E+01 1.0231E+01 H2 5475 1.008000 0.423800 -4.8311E+00 -1.6822E+01 1.1483E+01 O6 5476 15.999400 -0.847600 1.7613E+01 -1.6134E+00 1.6883E+01 H1 5477 1.008000 0.423800 1.7758E+01 -1.5059E+00 1.5900E+01 H2 5478 1.008000 0.423800 1.8379E+01 -1.2060E+00 1.7380E+01 O6 5479 15.999400 -0.847600 -2.8476E+00 1.5835E+00 -1.4958E+01 H1 5480 1.008000 0.423800 -3.4022E+00 8.5802E-01 -1.4550E+01 H2 5481 1.008000 0.423800 -3.1520E+00 1.7484E+00 -1.5896E+01 O6 5482 15.999400 -0.847600 6.2253E+00 9.8302E+00 -9.3712E+00 H1 5483 1.008000 0.423800 6.1026E+00 1.0040E+01 -8.4011E+00 H2 5484 1.008000 0.423800 5.9439E+00 8.8868E+00 -9.5466E+00 O6 5485 15.999400 -0.847600 1.6444E+01 -2.5054E-01 -2.1305E+00 H1 5486 1.008000 0.423800 1.7186E+01 -9.1745E-01 -2.2046E+00 H2 5487 1.008000 0.423800 1.6255E+01 -6.8756E-02 -1.1657E+00 O6 5488 15.999400 -0.847600 7.3487E+00 1.9483E+01 1.5203E+01 H1 5489 1.008000 0.423800 8.0985E+00 1.8892E+01 1.4906E+01 H2 5490 1.008000 0.423800 7.6438E+00 -1.9071E+01 1.5989E+01 O6 5491 15.999400 -0.847600 2.8322E+00 -1.9136E+00 -4.7059E+00 H1 5492 1.008000 0.423800 3.5706E+00 -1.7720E+00 -5.3653E+00 H2 5493 1.008000 0.423800 2.6515E+00 -2.8927E+00 -4.6131E+00 O6 5494 15.999400 -0.847600 -6.4862E+00 -1.0277E+01 -1.5440E+01 H1 5495 1.008000 0.423800 -6.0604E+00 -1.0546E+01 -1.4576E+01 H2 5496 1.008000 0.423800 -6.8329E+00 -1.1091E+01 -1.5907E+01 O6 5497 15.999400 -0.847600 -8.3968E+00 -1.1265E+01 -1.0355E+01 H1 5498 1.008000 0.423800 -7.4929E+00 -1.0994E+01 -1.0686E+01 H2 5499 1.008000 0.423800 -8.3084E+00 -1.1687E+01 -9.4532E+00 O6 5500 15.999400 -0.847600 1.0161E+01 1.7323E+01 1.6826E+01 H1 5501 1.008000 0.423800 1.0029E+01 1.7690E+01 1.5905E+01 H2 5502 1.008000 0.423800 1.1065E+01 1.7585E+01 1.7163E+01 O6 5503 15.999400 -0.847600 -8.3129E+00 1.1045E+01 1.5099E+01 H1 5504 1.008000 0.423800 -7.9926E+00 1.0274E+01 1.4549E+01 H2 5505 1.008000 0.423800 -8.6800E+00 1.1755E+01 1.4498E+01 O6 5506 15.999400 -0.847600 6.8303E+00 -1.3987E+01 1.0402E+01 H1 5507 1.008000 0.423800 6.8017E+00 -1.3127E+01 1.0912E+01 H2 5508 1.008000 0.423800 7.6418E+00 -1.4001E+01 9.8174E+00 O6 5509 15.999400 -0.847600 1.6300E+01 -1.6390E+01 6.1390E+00 H1 5510 1.008000 0.423800 1.6723E+01 -1.6138E+01 7.0096E+00 H2 5511 1.008000 0.423800 1.5740E+01 -1.7208E+01 6.2653E+00 O6 5512 15.999400 -0.847600 -5.3613E+00 -1.5020E+01 -1.4240E+01 H1 5513 1.008000 0.423800 -4.5916E+00 -1.4581E+01 -1.4703E+01 H2 5514 1.008000 0.423800 -5.8725E+00 -1.4335E+01 -1.3720E+01 O6 5515 15.999400 -0.847600 5.7756E+00 -3.3902E+00 -3.0319E+00 H1 5516 1.008000 0.423800 6.0955E+00 -3.6505E+00 -3.9429E+00 H2 5517 1.008000 0.423800 4.8737E+00 -2.9644E+00 -3.1045E+00 O6 5518 15.999400 -0.847600 6.8574E+00 -1.1680E+01 -1.2977E+01 H1 5519 1.008000 0.423800 6.1585E+00 -1.1547E+01 -1.2274E+01 H2 5520 1.008000 0.423800 6.5551E+00 -1.1257E+01 -1.3832E+01 O6 5521 15.999400 -0.847600 6.8517E+00 4.6397E+00 1.2468E+01 H1 5522 1.008000 0.423800 7.5293E+00 4.3942E+00 1.3162E+01 H2 5523 1.008000 0.423800 7.2534E+00 4.5362E+00 1.1559E+01 O6 5524 15.999400 -0.847600 -1.5683E+00 -1.0795E+01 -9.0175E+00 H1 5525 1.008000 0.423800 -5.9849E-01 -1.1038E+01 -8.9908E+00 H2 5526 1.008000 0.423800 -2.1066E+00 -1.1601E+01 -9.2640E+00 O6 5527 15.999400 -0.847600 -7.0108E+00 1.1922E+01 -1.7758E+01 H1 5528 1.008000 0.423800 -6.3262E+00 1.1609E+01 -1.7100E+01 H2 5529 1.008000 0.423800 -7.6672E+00 1.2519E+01 -1.7297E+01 O6 5530 15.999400 -0.847600 -1.5065E+01 -2.0683E+00 -1.1437E+01 H1 5531 1.008000 0.423800 -1.5405E+01 -1.1973E+00 -1.1792E+01 H2 5532 1.008000 0.423800 -1.5204E+01 -2.7841E+00 -1.2121E+01 O6 5533 15.999400 -0.847600 2.5350E+00 -9.0304E+00 7.9218E-01 H1 5534 1.008000 0.423800 1.7571E+00 -9.0627E+00 1.6456E-01 H2 5535 1.008000 0.423800 3.1533E+00 -8.2935E+00 5.1890E-01 O6 5536 15.999400 -0.847600 -7.2100E+00 1.3594E+01 -7.0167E+00 H1 5537 1.008000 0.423800 -7.6080E+00 1.2884E+01 -7.5968E+00 H2 5538 1.008000 0.423800 -7.2298E+00 1.4469E+01 -7.5005E+00 O6 5539 15.999400 -0.847600 3.5938E-01 -9.6494E-01 -5.2779E+00 H1 5540 1.008000 0.423800 -2.2897E-01 -1.0072E+00 -4.4704E+00 H2 5541 1.008000 0.423800 1.3143E+00 -1.0697E+00 -5.0003E+00 O6 5542 15.999400 -0.847600 1.0872E+01 -8.5068E-02 1.1546E+01 H1 5543 1.008000 0.423800 1.1792E+01 1.0578E-02 1.1164E+01 H2 5544 1.008000 0.423800 1.0446E+01 -9.1513E-01 1.1186E+01 O6 5545 15.999400 -0.847600 -1.0219E+01 4.9898E+00 1.3900E+01 H1 5546 1.008000 0.423800 -1.0487E+01 4.1798E+00 1.3379E+01 H2 5547 1.008000 0.423800 -1.0959E+01 5.6620E+00 1.3876E+01 O6 5548 15.999400 -0.847600 9.7658E+00 -1.6127E+01 1.6806E+01 H1 5549 1.008000 0.423800 9.3113E+00 -1.5237E+01 1.6838E+01 H2 5550 1.008000 0.423800 1.0482E+01 -1.6111E+01 1.6108E+01 O6 5551 15.999400 -0.847600 6.0488E+00 6.7930E+00 1.4829E+01 H1 5552 1.008000 0.423800 6.6222E+00 7.4935E+00 1.5254E+01 H2 5553 1.008000 0.423800 5.9029E+00 7.0206E+00 1.3867E+01 O6 5554 15.999400 -0.847600 7.3887E+00 1.0412E+01 -2.6181E+00 H1 5555 1.008000 0.423800 7.9166E+00 1.0810E+01 -3.3685E+00 H2 5556 1.008000 0.423800 6.7781E+00 1.1106E+01 -2.2359E+00 O6 5557 15.999400 -0.847600 -1.0872E+01 1.4979E+01 -1.0466E+01 H1 5558 1.008000 0.423800 -9.9807E+00 1.5352E+01 -1.0725E+01 H2 5559 1.008000 0.423800 -1.1444E+01 1.4889E+01 -1.1281E+01 O6 5560 15.999400 -0.847600 1.2085E+00 1.4868E+01 -1.0587E+01 H1 5561 1.008000 0.423800 1.3374E+00 1.5330E+01 -1.1465E+01 H2 5562 1.008000 0.423800 2.6991E-01 1.5008E+01 -1.0272E+01 O6 5563 15.999400 -0.847600 -8.8822E+00 1.2195E+01 -2.3716E+00 H1 5564 1.008000 0.423800 -9.3068E+00 1.1293E+01 -2.2898E+00 H2 5565 1.008000 0.423800 -8.2107E+00 1.2181E+01 -3.1124E+00 O6 5566 15.999400 -0.847600 1.7157E+00 -1.1906E+01 -1.7528E+01 H1 5567 1.008000 0.423800 2.6269E+00 -1.1851E+01 -1.7120E+01 H2 5568 1.008000 0.423800 1.7298E+00 -1.2556E+01 -1.8288E+01 O6 5569 15.999400 -0.847600 1.2018E+01 4.2948E+00 7.8516E+00 H1 5570 1.008000 0.423800 1.2745E+01 4.7105E+00 7.3047E+00 H2 5571 1.008000 0.423800 1.2103E+01 3.2990E+00 7.8168E+00 O6 5572 15.999400 -0.847600 2.8998E+00 -1.2424E+01 -2.5623E+00 H1 5573 1.008000 0.423800 3.3097E+00 -1.1526E+01 -2.7234E+00 H2 5574 1.008000 0.423800 3.1590E+00 -1.2750E+01 -1.6533E+00 O6 5575 15.999400 -0.847600 -1.6856E+01 -1.7412E+01 -1.8618E+01 H1 5576 1.008000 0.423800 -1.7264E+01 -1.6526E+01 -1.8401E+01 H2 5577 1.008000 0.423800 -1.6009E+01 -1.7525E+01 -1.8098E+01 O6 5578 15.999400 -0.847600 -7.8284E+00 -1.5588E+01 -5.8139E+00 H1 5579 1.008000 0.423800 -7.6459E+00 -1.6134E+01 -4.9962E+00 H2 5580 1.008000 0.423800 -8.3835E+00 -1.4793E+01 -5.5672E+00 O6 5581 15.999400 -0.847600 1.4416E+01 -8.1473E+00 4.2393E+00 H1 5582 1.008000 0.423800 1.4358E+01 -8.7014E+00 5.0697E+00 H2 5583 1.008000 0.423800 1.3884E+01 -8.5800E+00 3.5115E+00 O6 5584 15.999400 -0.847600 -1.1053E+01 -7.4248E+00 3.7581E+00 H1 5585 1.008000 0.423800 -1.0767E+01 -6.5975E+00 4.2417E+00 H2 5586 1.008000 0.423800 -1.0515E+01 -8.2029E+00 4.0821E+00 O6 5587 15.999400 -0.847600 -3.0489E+00 9.4187E-01 -4.6560E+00 H1 5588 1.008000 0.423800 -4.0385E+00 9.8657E-01 -4.5188E+00 H2 5589 1.008000 0.423800 -2.7381E+00 1.7744E+00 -5.1145E+00 O6 5590 15.999400 -0.847600 6.1415E+00 -9.3485E+00 -1.8608E+01 H1 5591 1.008000 0.423800 6.3607E+00 -9.1410E+00 -1.7655E+01 H2 5592 1.008000 0.423800 5.1703E+00 -9.1757E+00 -1.8772E+01 O6 5593 15.999400 -0.847600 -6.5292E+00 1.4227E+01 2.0287E+00 H1 5594 1.008000 0.423800 -7.4168E+00 1.4082E+01 1.5914E+00 H2 5595 1.008000 0.423800 -5.8003E+00 1.4082E+01 1.3595E+00 O6 5596 15.999400 -0.847600 -1.0762E+01 -1.6245E+01 3.9974E+00 H1 5597 1.008000 0.423800 -1.1253E+01 -1.7097E+01 3.8112E+00 H2 5598 1.008000 0.423800 -9.7781E+00 -1.6404E+01 3.9199E+00 O6 5599 15.999400 -0.847600 1.4267E+01 -7.4652E+00 1.4100E+01 H1 5600 1.008000 0.423800 1.4390E+01 -7.6875E+00 1.5068E+01 H2 5601 1.008000 0.423800 1.3445E+01 -6.9073E+00 1.3988E+01 O6 5602 15.999400 -0.847600 5.3993E+00 1.3859E+01 7.7532E+00 H1 5603 1.008000 0.423800 6.3888E+00 1.3980E+01 7.8306E+00 H2 5604 1.008000 0.423800 5.1980E+00 1.3240E+01 6.9941E+00 O6 5605 15.999400 -0.847600 2.0417E+00 1.2538E+00 -1.6819E+01 H1 5606 1.008000 0.423800 2.0369E+00 1.0790E+00 -1.7804E+01 H2 5607 1.008000 0.423800 2.5641E+00 5.3776E-01 -1.6356E+01 O6 5608 15.999400 -0.847600 -1.3315E+01 2.6274E+00 1.6188E+01 H1 5609 1.008000 0.423800 -1.3708E+01 1.9105E+00 1.6764E+01 H2 5610 1.008000 0.423800 -1.2587E+01 2.2391E+00 1.5623E+01 O6 5611 15.999400 -0.847600 -2.3498E+00 8.0484E+00 1.5772E+01 H1 5612 1.008000 0.423800 -1.7155E+00 8.0916E+00 1.5000E+01 H2 5613 1.008000 0.423800 -2.6037E+00 7.0961E+00 1.5941E+01 O6 5614 15.999400 -0.847600 1.9202E+01 -1.4016E+00 -1.5029E+00 H1 5615 1.008000 0.423800 1.9517E+01 -2.2849E+00 -1.8506E+00 H2 5616 1.008000 0.423800 -1.9106E+01 -8.1645E-01 -1.3171E+00 O6 5617 15.999400 -0.847600 -9.5479E+00 7.7228E-01 -9.8554E+00 H1 5618 1.008000 0.423800 -9.6734E+00 -1.6050E-01 -1.0193E+01 H2 5619 1.008000 0.423800 -1.0333E+01 1.0314E+00 -9.2928E+00 O6 5620 15.999400 -0.847600 1.0705E+01 -1.1720E+00 -1.2550E+01 H1 5621 1.008000 0.423800 1.0665E+01 -2.1363E+00 -1.2812E+01 H2 5622 1.008000 0.423800 1.1586E+01 -9.8082E-01 -1.2116E+01 O6 5623 15.999400 -0.847600 -9.7987E-01 1.2247E+01 -6.4769E+00 H1 5624 1.008000 0.423800 -1.2276E+00 1.1756E+01 -7.3124E+00 H2 5625 1.008000 0.423800 -4.4313E-01 1.1646E+01 -5.8845E+00 O6 5626 15.999400 -0.847600 9.1814E+00 -1.8860E+01 -1.2011E+01 H1 5627 1.008000 0.423800 1.0090E+01 -1.8555E+01 -1.2296E+01 H2 5628 1.008000 0.423800 9.1679E+00 -1.8988E+01 -1.1020E+01 O6 5629 15.999400 -0.847600 1.3870E+01 -1.5503E+01 -1.9128E+01 H1 5630 1.008000 0.423800 1.3668E+01 -1.5517E+01 -1.8149E+01 H2 5631 1.008000 0.423800 1.4278E+01 -1.6376E+01 -1.9396E+01 O6 5632 15.999400 -0.847600 -5.8497E+00 1.5565E+01 1.8989E+01 H1 5633 1.008000 0.423800 -5.9174E+00 1.6073E+01 1.8130E+01 H2 5634 1.008000 0.423800 -5.9277E+00 1.4586E+01 1.8804E+01 O6 5635 15.999400 -0.847600 1.3549E+01 1.9206E+01 -1.2431E+01 H1 5636 1.008000 0.423800 1.3737E+01 -1.9331E+01 -1.3238E+01 H2 5637 1.008000 0.423800 1.2917E+01 -1.9405E+01 -1.1827E+01 O6 5638 15.999400 -0.847600 -8.2772E+00 -7.8085E+00 -1.3432E+01 H1 5639 1.008000 0.423800 -8.6375E+00 -7.9948E+00 -1.4346E+01 H2 5640 1.008000 0.423800 -8.6730E+00 -6.9583E+00 -1.3085E+01 O6 5641 15.999400 -0.847600 8.0545E-01 1.0554E+01 1.3674E+01 H1 5642 1.008000 0.423800 1.7125E+00 1.0881E+01 1.3408E+01 H2 5643 1.008000 0.423800 6.2524E-01 1.0808E+01 1.4624E+01 O6 5644 15.999400 -0.847600 7.3784E+00 1.0017E+01 9.0035E+00 H1 5645 1.008000 0.423800 6.3873E+00 1.0128E+01 9.0787E+00 H2 5646 1.008000 0.423800 7.6603E+00 1.0175E+01 8.0571E+00 O6 5647 15.999400 -0.847600 6.0037E+00 -1.7437E+01 1.8873E+01 H1 5648 1.008000 0.423800 6.0262E+00 -1.8035E+01 -1.9423E+01 H2 5649 1.008000 0.423800 5.1795E+00 -1.7625E+01 1.8339E+01 O6 5650 15.999400 -0.847600 -2.8964E+00 -3.3828E+00 1.1469E+01 H1 5651 1.008000 0.423800 -3.4754E+00 -3.7018E+00 1.2220E+01 H2 5652 1.008000 0.423800 -2.7444E+00 -2.3987E+00 1.1561E+01 O6 5653 15.999400 -0.847600 -1.2585E+01 1.0248E+01 -8.6502E+00 H1 5654 1.008000 0.423800 -1.3102E+01 1.0339E+01 -7.7991E+00 H2 5655 1.008000 0.423800 -1.1967E+01 9.4647E+00 -8.5832E+00 O6 5656 15.999400 -0.847600 -1.6617E+01 -1.4996E+01 1.2490E+01 H1 5657 1.008000 0.423800 -1.5950E+01 -1.5740E+01 1.2509E+01 H2 5658 1.008000 0.423800 -1.6374E+01 -1.4349E+01 1.1767E+01 O6 5659 15.999400 -0.847600 -1.6733E+01 1.3940E+01 1.7777E+01 H1 5660 1.008000 0.423800 -1.7410E+01 1.3753E+01 1.8490E+01 H2 5661 1.008000 0.423800 -1.6112E+01 1.3161E+01 1.7695E+01 O6 5662 15.999400 -0.847600 6.6144E+00 -6.4842E+00 5.8237E+00 H1 5663 1.008000 0.423800 6.4124E+00 -7.3012E+00 6.3639E+00 H2 5664 1.008000 0.423800 7.5151E+00 -6.1313E+00 6.0771E+00 O6 5665 15.999400 -0.847600 9.5219E+00 1.7061E+00 7.5113E+00 H1 5666 1.008000 0.423800 1.0521E+01 1.6611E+00 7.5265E+00 H2 5667 1.008000 0.423800 9.2333E+00 2.6470E+00 7.3339E+00 O6 5668 15.999400 -0.847600 1.1979E+01 3.8122E-01 1.9268E+01 H1 5669 1.008000 0.423800 1.2310E+01 -5.0925E-01 -1.9518E+01 H2 5670 1.008000 0.423800 1.1175E+01 2.5289E-01 1.8688E+01 O6 5671 15.999400 -0.847600 -3.4468E+00 3.8472E+00 1.8697E+01 H1 5672 1.008000 0.423800 -3.4906E+00 4.0894E+00 -1.9431E+01 H2 5673 1.008000 0.423800 -3.7858E+00 4.6104E+00 1.8148E+01 O6 5674 15.999400 -0.847600 7.4616E+00 1.4689E+01 4.6488E+00 H1 5675 1.008000 0.423800 6.9607E+00 1.3824E+01 4.6335E+00 H2 5676 1.008000 0.423800 8.3613E+00 1.4561E+01 4.2315E+00 O6 5677 15.999400 -0.847600 -1.6784E+01 -1.0699E+01 1.6887E+01 H1 5678 1.008000 0.423800 -1.6036E+01 -1.0288E+01 1.7407E+01 H2 5679 1.008000 0.423800 -1.7233E+01 -9.9951E+00 1.6336E+01 O6 5680 15.999400 -0.847600 -7.8220E+00 -1.1713E+01 3.4483E+00 H1 5681 1.008000 0.423800 -7.6873E+00 -1.1641E+01 2.4600E+00 H2 5682 1.008000 0.423800 -7.6720E+00 -1.2658E+01 3.7372E+00 O6 5683 15.999400 -0.847600 4.1411E+00 -1.7235E+01 7.7297E+00 H1 5684 1.008000 0.423800 4.9350E+00 -1.7444E+01 8.3006E+00 H2 5685 1.008000 0.423800 3.6931E+00 -1.8086E+01 7.4566E+00 O6 5686 15.999400 -0.847600 4.2059E+00 -1.4362E+01 -1.2068E+01 H1 5687 1.008000 0.423800 3.8025E+00 -1.3581E+01 -1.2544E+01 H2 5688 1.008000 0.423800 4.3913E+00 -1.4114E+01 -1.1117E+01 O6 5689 15.999400 -0.847600 -6.8867E+00 1.4582E+01 7.4963E+00 H1 5690 1.008000 0.423800 -7.2106E+00 1.5173E+01 6.7575E+00 H2 5691 1.008000 0.423800 -7.6297E+00 1.4424E+01 8.1468E+00 O6 5692 15.999400 -0.847600 1.6932E+01 -1.5504E+01 -4.7735E+00 H1 5693 1.008000 0.423800 1.7548E+01 -1.4718E+01 -4.7211E+00 H2 5694 1.008000 0.423800 1.6366E+01 -1.5429E+01 -5.5941E+00 O6 5695 15.999400 -0.847600 -5.4081E+00 1.6222E+01 -2.3486E+00 H1 5696 1.008000 0.423800 -4.4808E+00 1.6314E+01 -2.7115E+00 H2 5697 1.008000 0.423800 -5.3686E+00 1.5832E+01 -1.4285E+00 O6 5698 15.999400 -0.847600 1.3706E+01 4.3005E+00 -1.8752E+01 H1 5699 1.008000 0.423800 1.3256E+01 3.6087E+00 -1.8187E+01 H2 5700 1.008000 0.423800 1.4684E+01 4.1001E+00 -1.8809E+01 O6 5701 15.999400 -0.847600 -9.9131E+00 1.1278E+01 1.7311E+01 H1 5702 1.008000 0.423800 -9.7085E+00 1.2256E+01 1.7361E+01 H2 5703 1.008000 0.423800 -9.5263E+00 1.0899E+01 1.6470E+01 O6 5704 15.999400 -0.847600 -6.3519E+00 9.8206E+00 -1.1263E+01 H1 5705 1.008000 0.423800 -7.0497E+00 9.5613E+00 -1.1930E+01 H2 5706 1.008000 0.423800 -6.3963E+00 1.0806E+01 -1.1100E+01 O6 5707 15.999400 -0.847600 -9.8124E+00 2.5584E-01 1.2919E+01 H1 5708 1.008000 0.423800 -9.6845E+00 -3.7972E-01 1.2158E+01 H2 5709 1.008000 0.423800 -9.0375E+00 8.8657E-01 1.2961E+01 O6 5710 15.999400 -0.847600 1.2516E+01 -2.5811E+00 -4.2741E+00 H1 5711 1.008000 0.423800 1.2055E+01 -3.2672E+00 -4.8367E+00 H2 5712 1.008000 0.423800 1.2284E+01 -2.7284E+00 -3.3124E+00 O6 5713 15.999400 -0.847600 1.2350E+01 5.7495E+00 -1.3678E+01 H1 5714 1.008000 0.423800 1.2543E+01 6.2894E+00 -1.2859E+01 H2 5715 1.008000 0.423800 1.2060E+01 4.8306E+00 -1.3411E+01 O6 5716 15.999400 -0.847600 9.1114E+00 -1.3819E+01 9.0111E+00 H1 5717 1.008000 0.423800 9.6224E+00 -1.4584E+01 9.4045E+00 H2 5718 1.008000 0.423800 9.7119E+00 -1.3024E+01 8.9291E+00 O6 5719 15.999400 -0.847600 1.2266E+01 1.2398E+01 -1.6406E+01 H1 5720 1.008000 0.423800 1.2202E+01 1.2327E+01 -1.7402E+01 H2 5721 1.008000 0.423800 1.2713E+01 1.1581E+01 -1.6042E+01 O6 5722 15.999400 -0.847600 9.9261E+00 1.3819E+01 3.4552E+00 H1 5723 1.008000 0.423800 9.4222E+00 1.3787E+01 2.5920E+00 H2 5724 1.008000 0.423800 1.0855E+01 1.4149E+01 3.2868E+00 O6 5725 15.999400 -0.847600 -9.1500E+00 1.8253E+01 8.6802E+00 H1 5726 1.008000 0.423800 -9.0155E+00 1.8248E+01 7.6893E+00 H2 5727 1.008000 0.423800 -8.2770E+00 1.8079E+01 9.1359E+00 O6 5728 15.999400 -0.847600 1.2071E+01 -1.3517E+01 -1.4064E+01 H1 5729 1.008000 0.423800 1.1847E+01 -1.4361E+01 -1.3575E+01 H2 5730 1.008000 0.423800 1.1259E+01 -1.3186E+01 -1.4545E+01 O6 5731 15.999400 -0.847600 1.8371E+01 -1.3206E+01 3.7469E-01 H1 5732 1.008000 0.423800 1.9001E+01 -1.3492E+01 1.0971E+00 H2 5733 1.008000 0.423800 1.7621E+01 -1.2680E+01 7.7534E-01 O6 5734 15.999400 -0.847600 7.9790E+00 -1.6011E+01 -1.3591E+01 H1 5735 1.008000 0.423800 8.2409E+00 -1.5241E+01 -1.3010E+01 H2 5736 1.008000 0.423800 8.0137E+00 -1.6857E+01 -1.3059E+01 O6 5737 15.999400 -0.847600 -1.8561E+01 3.1117E+00 -9.7767E+00 H1 5738 1.008000 0.423800 -1.8356E+01 3.1118E+00 -1.0756E+01 H2 5739 1.008000 0.423800 -1.8832E+01 2.1920E+00 -9.4931E+00 O6 5740 15.999400 -0.847600 9.4473E+00 5.2903E+00 -3.0147E+00 H1 5741 1.008000 0.423800 8.5819E+00 4.9718E+00 -3.4017E+00 H2 5742 1.008000 0.423800 9.7431E+00 6.1161E+00 -3.4947E+00 O6 5743 15.999400 -0.847600 -1.7679E+01 1.2278E+01 1.1954E+01 H1 5744 1.008000 0.423800 -1.8630E+01 1.1969E+01 1.1921E+01 H2 5745 1.008000 0.423800 -1.7325E+01 1.2366E+01 1.1023E+01 O6 5746 15.999400 -0.847600 6.3356E+00 1.7509E+00 -1.2027E+01 H1 5747 1.008000 0.423800 5.6288E+00 1.3353E+00 -1.1454E+01 H2 5748 1.008000 0.423800 7.1230E+00 1.1370E+00 -1.2083E+01 O6 5749 15.999400 -0.847600 2.7534E+00 -1.7067E+01 -5.8964E+00 H1 5750 1.008000 0.423800 2.4831E+00 -1.8025E+01 -5.9863E+00 H2 5751 1.008000 0.423800 2.2967E+00 -1.6665E+01 -5.1028E+00 O6 5752 15.999400 -0.847600 1.8279E+01 -7.0481E+00 -5.1061E+00 H1 5753 1.008000 0.423800 1.7545E+01 -7.7271E+00 -5.0926E+00 H2 5754 1.008000 0.423800 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1.2105E+01 H1 5771 1.008000 0.423800 -1.5978E+01 -2.5592E+00 1.1455E+01 H2 5772 1.008000 0.423800 -1.5293E+01 -1.2823E+00 1.2208E+01 O6 5773 15.999400 -0.847600 1.8451E+01 4.0296E+00 -1.4196E+01 H1 5774 1.008000 0.423800 1.8569E+01 4.3207E+00 -1.3247E+01 H2 5775 1.008000 0.423800 1.7616E+01 4.4359E+00 -1.4568E+01 O6 5776 15.999400 -0.847600 -9.8265E+00 -4.4085E+00 -1.5172E+01 H1 5777 1.008000 0.423800 -1.0062E+01 -3.6387E+00 -1.5766E+01 H2 5778 1.008000 0.423800 -1.0347E+01 -5.2155E+00 -1.5451E+01 O6 5779 15.999400 -0.847600 1.3892E+01 7.6940E+00 -5.8406E+00 H1 5780 1.008000 0.423800 1.3457E+01 8.4759E+00 -5.3935E+00 H2 5781 1.008000 0.423800 1.3736E+01 6.8699E+00 -5.2961E+00 O6 5782 15.999400 -0.847600 1.3939E+01 3.2596E+00 1.1455E+01 H1 5783 1.008000 0.423800 1.4606E+01 2.7407E+00 1.1990E+01 H2 5784 1.008000 0.423800 1.3236E+01 3.6265E+00 1.2064E+01 O6 5785 15.999400 -0.847600 1.1853E+01 1.7032E+01 -9.1036E+00 H1 5786 1.008000 0.423800 1.2405E+01 1.6890E+01 -9.9252E+00 H2 5787 1.008000 0.423800 1.1359E+01 1.7898E+01 -9.1794E+00 O6 5788 15.999400 -0.847600 7.3712E+00 1.6949E+01 2.5519E+00 H1 5789 1.008000 0.423800 7.5860E+00 1.6265E+01 3.2493E+00 H2 5790 1.008000 0.423800 7.9407E+00 1.7758E+01 2.6926E+00 O6 5791 15.999400 -0.847600 1.4360E+01 -1.2430E+01 1.0742E+01 H1 5792 1.008000 0.423800 1.4748E+01 -1.1866E+01 1.1471E+01 H2 5793 1.008000 0.423800 1.4824E+01 -1.3316E+01 1.0722E+01 O6 5794 15.999400 -0.847600 -1.8692E+01 -2.2207E+00 1.5380E+01 H1 5795 1.008000 0.423800 -1.8363E+01 -1.2978E+00 1.5581E+01 H2 5796 1.008000 0.423800 -1.8893E+01 -2.6961E+00 1.6236E+01 O6 5797 15.999400 -0.847600 -1.0199E+01 -1.8265E+01 1.1072E+00 H1 5798 1.008000 0.423800 -1.0876E+01 -1.7764E+01 5.6783E-01 H2 5799 1.008000 0.423800 -1.0596E+01 -1.8517E+01 1.9895E+00 O6 5800 15.999400 -0.847600 1.9313E+01 1.3416E+00 -1.4012E+01 H1 5801 1.008000 0.423800 1.8964E+01 2.2395E+00 -1.4281E+01 H2 5802 1.008000 0.423800 1.8547E+01 7.4481E-01 -1.3771E+01 O6 5803 15.999400 -0.847600 1.4607E+01 -3.0132E+00 7.5980E+00 H1 5804 1.008000 0.423800 1.3776E+01 -3.2030E+00 7.0746E+00 H2 5805 1.008000 0.423800 1.5086E+01 -3.8707E+00 7.7854E+00 O6 5806 15.999400 -0.847600 1.3144E+00 -1.2595E+01 4.2613E+00 H1 5807 1.008000 0.423800 1.4442E+00 -1.1687E+01 3.8627E+00 H2 5808 1.008000 0.423800 1.9477E+00 -1.2717E+01 5.0256E+00 O6 5809 15.999400 -0.847600 1.5959E+00 -4.2360E-01 -1.4265E+01 H1 5810 1.008000 0.423800 2.5738E+00 -2.1465E-01 -1.4279E+01 H2 5811 1.008000 0.423800 1.4245E+00 -1.1766E+00 -1.3630E+01 O6 5812 15.999400 -0.847600 -2.8777E+00 -1.5111E+01 -6.6067E+00 H1 5813 1.008000 0.423800 -3.5987E+00 -1.4475E+01 -6.8822E+00 H2 5814 1.008000 0.423800 -2.5860E+00 -1.4900E+01 -5.6737E+00 O6 5815 15.999400 -0.847600 3.6060E+00 1.0928E+01 -1.1430E+01 H1 5816 1.008000 0.423800 4.1853E+00 1.1392E+01 -1.0760E+01 H2 5817 1.008000 0.423800 2.9822E+00 1.0306E+01 -1.0957E+01 O6 5818 15.999400 -0.847600 3.4004E+00 1.2026E+01 1.3784E+01 H1 5819 1.008000 0.423800 2.9391E+00 1.2719E+01 1.4338E+01 H2 5820 1.008000 0.423800 4.2758E+00 1.2386E+01 1.3461E+01 O6 5821 15.999400 -0.847600 2.6244E+00 1.9355E+01 -5.4140E+00 H1 5822 1.008000 0.423800 3.4839E+00 1.8856E+01 -5.3036E+00 H2 5823 1.008000 0.423800 1.9892E+00 1.9090E+01 -4.6888E+00 O6 5824 15.999400 -0.847600 1.7866E+01 1.8708E+01 1.8509E+01 H1 5825 1.008000 0.423800 1.8355E+01 1.7844E+01 1.8630E+01 H2 5826 1.008000 0.423800 1.8437E+01 1.9345E+01 1.7990E+01 O6 5827 15.999400 -0.847600 1.4836E+01 8.2907E+00 -1.5858E+01 H1 5828 1.008000 0.423800 1.4237E+01 7.5114E+00 -1.6043E+01 H2 5829 1.008000 0.423800 1.4980E+01 8.3730E+00 -1.4872E+01 O6 5830 15.999400 -0.847600 7.1280E+00 -9.3625E+00 -6.6895E+00 H1 5831 1.008000 0.423800 7.4504E+00 -8.6168E+00 -6.1065E+00 H2 5832 1.008000 0.423800 6.2879E+00 -9.7460E+00 -6.3060E+00 O6 5833 15.999400 -0.847600 1.4364E+01 1.5279E+01 -6.6731E-01 H1 5834 1.008000 0.423800 1.4791E+01 1.4443E+01 -3.2468E-01 H2 5835 1.008000 0.423800 1.5070E+01 1.5965E+01 -8.4624E-01 O6 5836 15.999400 -0.847600 5.7574E+00 -1.3373E+01 1.7290E+01 H1 5837 1.008000 0.423800 5.3396E+00 -1.2473E+01 1.7416E+01 H2 5838 1.008000 0.423800 6.5493E+00 -1.3290E+01 1.6685E+01 O6 5839 15.999400 -0.847600 1.5504E+01 -1.0663E+01 -1.7857E+01 H1 5840 1.008000 0.423800 1.4802E+01 -1.0083E+01 -1.7443E+01 H2 5841 1.008000 0.423800 1.6217E+01 -1.0088E+01 -1.8258E+01 O6 5842 15.999400 -0.847600 -1.4179E+01 1.4136E+01 -1.1215E+01 H1 5843 1.008000 0.423800 -1.3629E+01 1.4954E+01 -1.1381E+01 H2 5844 1.008000 0.423800 -1.3668E+01 1.3503E+01 -1.0634E+01 O6 5845 15.999400 -0.847600 -1.9145E+00 -1.7425E+01 -1.6311E+01 H1 5846 1.008000 0.423800 -1.3859E+00 -1.8221E+01 -1.6608E+01 H2 5847 1.008000 0.423800 -1.7328E+00 -1.7247E+01 -1.5344E+01 O6 5848 15.999400 -0.847600 -1.4902E+00 -1.5133E+01 1.2483E+01 H1 5849 1.008000 0.423800 -1.0412E+00 -1.5986E+01 1.2751E+01 H2 5850 1.008000 0.423800 -1.8714E+00 -1.5231E+01 1.1564E+01 O6 5851 15.999400 -0.847600 -1.3075E+01 1.9114E+01 1.3096E+01 H1 5852 1.008000 0.423800 -1.3820E+01 1.9200E+01 1.2435E+01 H2 5853 1.008000 0.423800 -1.2627E+01 -1.9097E+01 1.3212E+01 O6 5854 15.999400 -0.847600 9.9411E+00 -2.4303E+00 -1.9388E+01 H1 5855 1.008000 0.423800 9.7054E+00 -1.8903E+00 1.8902E+01 H2 5856 1.008000 0.423800 1.0912E+01 -2.3133E+00 -1.9180E+01 O6 5857 15.999400 -0.847600 8.4358E-01 1.8218E+01 -3.3275E+00 H1 5858 1.008000 0.423800 1.1885E+00 1.8904E+01 -2.6858E+00 H2 5859 1.008000 0.423800 1.5091E+00 1.7477E+01 -3.4130E+00 O6 5860 15.999400 -0.847600 8.7625E+00 1.0898E+01 -5.1647E+00 H1 5861 1.008000 0.423800 8.8896E+00 1.0103E+01 -5.7572E+00 H2 5862 1.008000 0.423800 8.0425E+00 1.1482E+01 -5.5401E+00 O6 5863 15.999400 -0.847600 -4.6213E+00 7.6269E+00 -6.0631E+00 H1 5864 1.008000 0.423800 -4.8757E+00 7.5678E+00 -5.0978E+00 H2 5865 1.008000 0.423800 -5.1271E+00 8.3731E+00 -6.4960E+00 O6 5866 15.999400 -0.847600 -1.9401E+01 -5.6574E+00 -1.3223E-02 H1 5867 1.008000 0.423800 1.9331E+01 -5.6065E+00 9.1616E-01 H2 5868 1.008000 0.423800 -1.9416E+01 -6.6071E+00 -3.2583E-01 O6 5869 15.999400 -0.847600 2.0404E-01 1.4273E+01 1.8360E+01 H1 5870 1.008000 0.423800 -5.0166E-01 1.3625E+01 1.8072E+01 H2 5871 1.008000 0.423800 -9.5463E-02 1.5205E+01 1.8155E+01 O6 5872 15.999400 -0.847600 1.8016E+01 1.3156E+00 1.6146E+01 H1 5873 1.008000 0.423800 1.7828E+01 5.5586E-01 1.5524E+01 H2 5874 1.008000 0.423800 1.9004E+01 1.4293E+00 1.6245E+01 O6 5875 15.999400 -0.847600 1.5384E+01 -1.3231E+01 1.9143E+01 H1 5876 1.008000 0.423800 1.4832E+01 -1.4027E+01 1.9393E+01 H2 5877 1.008000 0.423800 1.4871E+01 -1.2395E+01 1.9338E+01 O6 5878 15.999400 -0.847600 -1.4741E+01 1.8169E+01 -1.4210E+01 H1 5879 1.008000 0.423800 -1.4182E+01 1.8504E+01 -1.3451E+01 H2 5880 1.008000 0.423800 -1.4422E+01 1.7262E+01 -1.4484E+01 O6 5881 15.999400 -0.847600 6.3401E+00 -1.8013E+01 1.9892E+00 H1 5882 1.008000 0.423800 5.5371E+00 -1.8568E+01 1.7718E+00 H2 5883 1.008000 0.423800 6.0473E+00 -1.7149E+01 2.3990E+00 O6 5884 15.999400 -0.847600 -1.5984E+01 5.4135E+00 -1.0367E+01 H1 5885 1.008000 0.423800 -1.5751E+01 4.4773E+00 -1.0104E+01 H2 5886 1.008000 0.423800 -1.6428E+01 5.8753E+00 -9.5988E+00 O6 5887 15.999400 -0.847600 9.4328E+00 1.5157E+01 -1.5501E+01 H1 5888 1.008000 0.423800 9.4240E+00 1.4175E+01 -1.5309E+01 H2 5889 1.008000 0.423800 8.4982E+00 1.5473E+01 -1.5664E+01 O6 5890 15.999400 -0.847600 3.3618E+00 3.1494E+00 2.6841E+00 H1 5891 1.008000 0.423800 2.4772E+00 3.6110E+00 2.7507E+00 H2 5892 1.008000 0.423800 3.5235E+00 2.6175E+00 3.5153E+00 O6 5893 15.999400 -0.847600 7.7492E+00 -3.0559E+00 1.6356E+01 H1 5894 1.008000 0.423800 7.0939E+00 -2.5001E+00 1.6868E+01 H2 5895 1.008000 0.423800 7.5893E+00 -4.0236E+00 1.6551E+01 O6 5896 15.999400 -0.847600 8.0383E+00 -1.7539E+01 6.5825E+00 H1 5897 1.008000 0.423800 7.8026E+00 -1.8270E+01 5.9424E+00 H2 5898 1.008000 0.423800 7.3202E+00 -1.7457E+01 7.2735E+00 O6 5899 15.999400 -0.847600 -1.4872E+01 4.1914E+00 -1.9197E+01 H1 5900 1.008000 0.423800 -1.5239E+01 4.8888E+00 1.9285E+01 H2 5901 1.008000 0.423800 -1.4123E+01 4.5806E+00 -1.8661E+01 O6 5902 15.999400 -0.847600 -1.3105E+00 3.6550E+00 -1.3640E+00 H1 5903 1.008000 0.423800 -2.1890E+00 4.0682E+00 -1.1240E+00 H2 5904 1.008000 0.423800 -6.7735E-01 4.3687E+00 -1.6636E+00 O6 5905 15.999400 -0.847600 2.9895E+00 7.2951E+00 -4.9302E+00 H1 5906 1.008000 0.423800 2.3459E+00 6.5988E+00 -5.2480E+00 H2 5907 1.008000 0.423800 3.1952E+00 7.1424E+00 -3.9636E+00 O6 5908 15.999400 -0.847600 -6.4743E-01 -1.1538E+00 -1.6475E+01 H1 5909 1.008000 0.423800 -1.6967E-01 -8.5099E-01 -1.5651E+01 H2 5910 1.008000 0.423800 -7.7045E-01 -3.7727E-01 -1.7093E+01 O6 5911 15.999400 -0.847600 -3.8425E+00 -1.3499E+01 -2.7217E+00 H1 5912 1.008000 0.423800 -4.6349E+00 -1.4029E+01 -2.4206E+00 H2 5913 1.008000 0.423800 -4.1339E+00 -1.2815E+01 -3.3906E+00 O6 5914 15.999400 -0.847600 1.2222E+00 -5.9062E-01 1.5017E+01 H1 5915 1.008000 0.423800 1.2180E+00 -1.5847E+00 1.5126E+01 H2 5916 1.008000 0.423800 8.0766E-01 -1.6582E-01 1.5822E+01 O6 5917 15.999400 -0.847600 1.0437E+01 -1.5907E+01 -1.4721E+01 H1 5918 1.008000 0.423800 9.5223E+00 -1.5774E+01 -1.4338E+01 H2 5919 1.008000 0.423800 1.0688E+01 -1.5108E+01 -1.5268E+01 O6 5920 15.999400 -0.847600 1.0492E+01 -1.9139E+01 8.4108E+00 H1 5921 1.008000 0.423800 1.0519E+01 -1.8343E+01 7.8059E+00 H2 5922 1.008000 0.423800 9.6506E+00 -1.9118E+01 8.9514E+00 O6 5923 15.999400 -0.847600 1.3479E+01 9.7170E+00 -8.9156E+00 H1 5924 1.008000 0.423800 1.2742E+01 9.7267E+00 -9.5913E+00 H2 5925 1.008000 0.423800 1.3301E+01 9.0025E+00 -8.2389E+00 O6 5926 15.999400 -0.847600 -1.4836E+01 -1.2698E+01 1.5586E+01 H1 5927 1.008000 0.423800 -1.4294E+01 -1.2376E+01 1.4809E+01 H2 5928 1.008000 0.423800 -1.5627E+01 -1.2100E+01 1.5710E+01 O6 5929 15.999400 -0.847600 -1.8425E+01 4.7884E+00 -1.6185E+01 H1 5930 1.008000 0.423800 -1.9315E+01 5.1179E+00 -1.5869E+01 H2 5931 1.008000 0.423800 -1.8410E+01 3.7890E+00 -1.6156E+01 O6 5932 15.999400 -0.847600 -9.2472E+00 6.5009E+00 -3.0296E+00 H1 5933 1.008000 0.423800 -8.6060E+00 6.4155E+00 -2.2669E+00 H2 5934 1.008000 0.423800 -9.8908E+00 5.7358E+00 -3.0111E+00 O6 5935 15.999400 -0.847600 1.5353E+01 -4.9824E+00 -1.4041E+01 H1 5936 1.008000 0.423800 1.5460E+01 -5.0554E+00 -1.3049E+01 H2 5937 1.008000 0.423800 1.4649E+01 -5.6227E+00 -1.4348E+01 O6 5938 15.999400 -0.847600 -9.9018E-01 8.2263E-01 -1.8159E+01 H1 5939 1.008000 0.423800 -1.2745E+00 1.6454E+00 -1.7666E+01 H2 5940 1.008000 0.423800 -1.7009E+00 5.6324E-01 -1.8813E+01 O6 5941 15.999400 -0.847600 1.4910E+00 -7.1485E+00 -8.5224E+00 H1 5942 1.008000 0.423800 1.3034E+00 -7.6641E+00 -9.3584E+00 H2 5943 1.008000 0.423800 1.2594E+00 -7.7082E+00 -7.7267E+00 O6 5944 15.999400 -0.847600 -1.4561E+01 -9.3170E+00 -7.9473E+00 H1 5945 1.008000 0.423800 -1.3956E+01 -8.7808E+00 -8.5359E+00 H2 5946 1.008000 0.423800 -1.5495E+01 -9.2721E+00 -8.3007E+00 O6 5947 15.999400 -0.847600 3.2851E+00 5.9155E+00 5.1190E+00 H1 5948 1.008000 0.423800 3.0896E+00 6.2339E+00 6.0466E+00 H2 5949 1.008000 0.423800 2.4353E+00 5.8789E+00 4.5932E+00 O6 5950 15.999400 -0.847600 2.1870E+00 -1.7897E+01 2.7887E+00 H1 5951 1.008000 0.423800 1.8294E+00 -1.7606E+01 1.9015E+00 H2 5952 1.008000 0.423800 2.3185E+00 -1.7097E+01 3.3742E+00 O6 5953 15.999400 -0.847600 1.4950E+01 -1.4183E+00 1.4409E+01 H1 5954 1.008000 0.423800 1.4303E+01 -7.2505E-01 1.4726E+01 H2 5955 1.008000 0.423800 1.4576E+01 -2.3288E+00 1.4584E+01 O6 5956 15.999400 -0.847600 9.9038E+00 -9.6290E+00 -3.1754E+00 H1 5957 1.008000 0.423800 1.0243E+01 -9.9399E+00 -2.2875E+00 H2 5958 1.008000 0.423800 9.6876E+00 -8.6539E+00 -3.1267E+00 O6 5959 15.999400 -0.847600 -1.6773E+01 7.5949E-01 1.8982E+01 H1 5960 1.008000 0.423800 -1.6620E+01 3.7704E-01 -1.9204E+01 H2 5961 1.008000 0.423800 -1.7137E+01 1.6869E+00 1.9067E+01 O6 5962 15.999400 -0.847600 -1.8916E+01 -1.1300E+01 1.2936E+01 H1 5963 1.008000 0.423800 1.9531E+01 -1.1414E+01 1.3688E+01 H2 5964 1.008000 0.423800 -1.7985E+01 -1.1292E+01 1.3300E+01 O6 5965 15.999400 -0.847600 -6.9943E-02 9.1763E+00 9.6544E+00 H1 5966 1.008000 0.423800 -5.1311E-01 9.1897E+00 8.7581E+00 H2 5967 1.008000 0.423800 1.8911E-01 1.0107E+01 9.9121E+00 O6 5968 15.999400 -0.847600 8.9675E+00 -4.3688E+00 -1.7644E+01 H1 5969 1.008000 0.423800 8.1098E+00 -4.2352E+00 -1.7148E+01 H2 5970 1.008000 0.423800 9.1207E+00 -3.5950E+00 -1.8259E+01 O6 5971 15.999400 -0.847600 -7.6053E+00 -3.9094E+00 1.6057E+01 H1 5972 1.008000 0.423800 -7.3654E+00 -2.9604E+00 1.6262E+01 H2 5973 1.008000 0.423800 -8.2788E+00 -4.2336E+00 1.6721E+01 O6 5974 15.999400 -0.847600 3.5695E+00 5.5360E+00 1.9208E+01 H1 5975 1.008000 0.423800 2.9106E+00 5.2133E+00 1.8528E+01 H2 5976 1.008000 0.423800 3.6642E+00 4.8521E+00 -1.9166E+01 O6 5977 15.999400 -0.847600 1.0554E+01 -2.4107E+00 1.4471E+01 H1 5978 1.008000 0.423800 1.0921E+01 -3.1281E+00 1.5062E+01 H2 5979 1.008000 0.423800 9.6752E+00 -2.7059E+00 1.4095E+01 O6 5980 15.999400 -0.847600 1.1821E+01 6.3486E+00 1.8350E+01 H1 5981 1.008000 0.423800 1.2382E+01 5.9038E+00 1.9048E+01 H2 5982 1.008000 0.423800 1.1967E+01 7.3372E+00 1.8385E+01 O6 5983 15.999400 -0.847600 1.8168E+01 -2.9262E+00 -9.1953E+00 H1 5984 1.008000 0.423800 1.9160E+01 -3.0014E+00 -9.3017E+00 H2 5985 1.008000 0.423800 1.7726E+01 -3.0714E+00 -1.0080E+01 O6 5986 15.999400 -0.847600 4.2432E+00 -9.9618E+00 -3.0448E+00 H1 5987 1.008000 0.423800 5.1414E+00 -9.9758E+00 -2.6054E+00 H2 5988 1.008000 0.423800 3.7772E+00 -9.1052E+00 -2.8235E+00 O6 5989 15.999400 -0.847600 5.1019E+00 5.4349E+00 -1.1878E+01 H1 5990 1.008000 0.423800 5.6843E+00 5.8120E+00 -1.2598E+01 H2 5991 1.008000 0.423800 5.6275E+00 4.7827E+00 -1.1332E+01 O6 5992 15.999400 -0.847600 -5.4683E+00 -8.1732E+00 -4.1315E+00 H1 5993 1.008000 0.423800 -4.5361E+00 -8.5341E+00 -4.1591E+00 H2 5994 1.008000 0.423800 -6.0898E+00 -8.8807E+00 -3.7951E+00 O6 5995 15.999400 -0.847600 1.4159E+01 1.4402E+01 -3.7359E+00 H1 5996 1.008000 0.423800 1.3425E+01 1.4421E+01 -4.4149E+00 H2 5997 1.008000 0.423800 1.3944E+01 1.5038E+01 -2.9945E+00 O6 5998 15.999400 -0.847600 1.6668E+01 4.7131E+00 -3.8306E+00 H1 5999 1.008000 0.423800 1.5819E+01 4.1939E+00 -3.7336E+00 H2 6000 1.008000 0.423800 1.6526E+01 5.4671E+00 -4.4720E+00 O6 6001 15.999400 -0.847600 -4.4613E+00 -1.4991E+01 7.1449E+00 H1 6002 1.008000 0.423800 -3.4741E+00 -1.5059E+01 7.2894E+00 H2 6003 1.008000 0.423800 -4.9194E+00 -1.4869E+01 8.0253E+00 O6 6004 15.999400 -0.847600 -8.0380E+00 1.4498E+00 8.5057E+00 H1 6005 1.008000 0.423800 -7.3504E+00 8.8693E-01 8.0469E+00 H2 6006 1.008000 0.423800 -8.6115E+00 1.8994E+00 7.8210E+00 timestep 70001 6006 0 1 0.001000 39.10 0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.1478E+01 9.3716E+00 1.9306E+00 O1 2 15.999400 -1.000000 -1.0432E+01 1.0302E+01 1.0207E+00 O2 3 15.999400 -1.000000 -1.2415E+01 8.4331E+00 9.1529E-01 O3 4 15.999400 -1.000000 -1.0600E+01 8.3826E+00 2.9503E+00 O4 5 15.999400 -1.000000 -1.2466E+01 1.0368E+01 2.8361E+00 CU 6 63.465000 2.000000 -9.6815E+00 7.2574E+00 4.0088E+00 O6 7 15.999400 -0.847600 1.4804E+01 1.1153E+01 1.1211E+01 H1 8 1.008000 0.423800 1.5347E+01 1.0321E+01 1.1095E+01 H2 9 1.008000 0.423800 1.5388E+01 1.1885E+01 1.1561E+01 O6 10 15.999400 -0.847600 1.0102E+01 1.2851E+01 9.6424E+00 H1 11 1.008000 0.423800 1.0832E+01 1.3424E+01 1.0015E+01 H2 12 1.008000 0.423800 1.0493E+01 1.2003E+01 9.2843E+00 O6 13 15.999400 -0.847600 -4.2860E+00 -1.1070E+01 -8.6611E-01 H1 14 1.008000 0.423800 -4.8434E+00 -1.1464E+01 -1.5968E+00 H2 15 1.008000 0.423800 -3.3378E+00 -1.0993E+01 -1.1746E+00 O6 16 15.999400 -0.847600 -6.5627E+00 -1.5336E+01 1.5761E+01 H1 17 1.008000 0.423800 -6.0857E+00 -1.4660E+01 1.5199E+01 H2 18 1.008000 0.423800 -6.5658E+00 -1.5033E+01 1.6715E+01 O6 19 15.999400 -0.847600 -1.8018E+01 1.8049E+01 1.5024E+01 H1 20 1.008000 0.423800 -1.8592E+01 1.7678E+01 1.5753E+01 H2 21 1.008000 0.423800 -1.7931E+01 1.9039E+01 1.5139E+01 O6 22 15.999400 -0.847600 -1.2892E+01 -1.9399E+01 1.6741E+01 H1 23 1.008000 0.423800 -1.2100E+01 1.9316E+01 1.6265E+01 H2 24 1.008000 0.423800 -1.2727E+01 -1.9411E+01 1.7727E+01 O6 25 15.999400 -0.847600 6.3827E+00 -3.5492E-01 1.9197E+00 H1 26 1.008000 0.423800 6.1280E+00 -1.3062E+00 2.0934E+00 H2 27 1.008000 0.423800 5.6430E+00 2.4800E-01 2.2185E+00 O6 28 15.999400 -0.847600 -6.2529E+00 4.4620E+00 -1.3675E+00 H1 29 1.008000 0.423800 -6.0102E+00 4.2174E+00 -4.2872E-01 H2 30 1.008000 0.423800 -5.7561E+00 5.2873E+00 -1.6359E+00 O6 31 15.999400 -0.847600 -3.2247E+00 1.7677E+01 1.5206E+01 H1 32 1.008000 0.423800 -3.4262E+00 1.8116E+01 1.4330E+01 H2 33 1.008000 0.423800 -3.0318E+00 1.8378E+01 1.5893E+01 O6 34 15.999400 -0.847600 -1.1600E+01 2.8503E+00 -1.3351E+01 H1 35 1.008000 0.423800 -1.0845E+01 2.2424E+00 -1.3595E+01 H2 36 1.008000 0.423800 -1.2236E+01 2.3666E+00 -1.2749E+01 O6 37 15.999400 -0.847600 6.7844E+00 -1.6204E+00 6.8655E+00 H1 38 1.008000 0.423800 6.0346E+00 -1.9675E+00 6.3022E+00 H2 39 1.008000 0.423800 6.4583E+00 -1.4709E+00 7.7989E+00 O6 40 15.999400 -0.847600 -5.3245E+00 -7.2487E-01 -1.1754E+01 H1 41 1.008000 0.423800 -4.6930E+00 -2.7256E-01 -1.1124E+01 H2 42 1.008000 0.423800 -4.8415E+00 -1.4475E+00 -1.2248E+01 O6 43 15.999400 -0.847600 -3.5847E+00 -6.6583E+00 7.5224E+00 H1 44 1.008000 0.423800 -3.8388E+00 -5.7990E+00 7.9665E+00 H2 45 1.008000 0.423800 -4.2526E+00 -7.3647E+00 7.7567E+00 O6 46 15.999400 -0.847600 -7.3092E+00 8.4910E+00 -2.0526E+00 H1 47 1.008000 0.423800 -7.3356E+00 9.0359E+00 -2.8908E+00 H2 48 1.008000 0.423800 -6.7164E+00 7.6974E+00 -2.1897E+00 O6 49 15.999400 -0.847600 -2.9293E+00 -1.7212E+01 -1.7970E+01 H1 50 1.008000 0.423800 -2.0828E+00 -1.7601E+01 -1.7608E+01 H2 51 1.008000 0.423800 -3.4886E+00 -1.7940E+01 -1.8366E+01 O6 52 15.999400 -0.847600 1.7874E+01 -8.2844E+00 5.9509E+00 H1 53 1.008000 0.423800 1.8864E+01 -8.4170E+00 5.8976E+00 H2 54 1.008000 0.423800 1.7436E+01 -8.7202E+00 5.1644E+00 O6 55 15.999400 -0.847600 -1.1194E+01 -5.2414E+00 -1.5225E+01 H1 56 1.008000 0.423800 -1.2152E+01 -4.9809E+00 -1.5343E+01 H2 57 1.008000 0.423800 -1.0952E+01 -5.1880E+00 -1.4256E+01 O6 58 15.999400 -0.847600 5.8404E+00 -1.3225E+01 -1.4365E+01 H1 59 1.008000 0.423800 6.2131E+00 -1.2668E+01 -1.3622E+01 H2 60 1.008000 0.423800 6.1700E+00 -1.4165E+01 -1.4275E+01 O6 61 15.999400 -0.847600 1.3257E+01 -1.5388E+01 9.6947E+00 H1 62 1.008000 0.423800 1.3461E+01 -1.6271E+01 1.0116E+01 H2 63 1.008000 0.423800 1.3205E+01 -1.4684E+01 1.0403E+01 O6 64 15.999400 -0.847600 8.9746E-01 -1.8982E+01 -1.0808E+00 H1 65 1.008000 0.423800 9.1661E-01 -1.8755E+01 -2.0547E+00 H2 66 1.008000 0.423800 8.0309E-01 -1.8142E+01 -5.4542E-01 O6 67 15.999400 -0.847600 -8.0853E+00 -1.9206E+01 1.4516E+01 H1 68 1.008000 0.423800 -8.0849E+00 -1.8471E+01 1.3838E+01 H2 69 1.008000 0.423800 -7.4540E+00 1.9171E+01 1.4227E+01 O6 70 15.999400 -0.847600 9.4363E+00 -5.3996E+00 1.1569E+01 H1 71 1.008000 0.423800 9.5853E+00 -4.4585E+00 1.1873E+01 H2 72 1.008000 0.423800 8.5769E+00 -5.4537E+00 1.1061E+01 O6 73 15.999400 -0.847600 -2.0248E-01 -1.5414E+01 -2.4809E+00 H1 74 1.008000 0.423800 1.4118E-01 -1.4476E+01 -2.4496E+00 H2 75 1.008000 0.423800 2.0818E-01 -1.5944E+01 -1.7391E+00 O6 76 15.999400 -0.847600 5.8010E+00 8.7253E+00 -1.0726E+00 H1 77 1.008000 0.423800 5.3581E+00 8.6554E+00 -1.9665E+00 H2 78 1.008000 0.423800 5.1042E+00 8.7371E+00 -3.5549E-01 O6 79 15.999400 -0.847600 5.8020E+00 1.9336E+01 1.4560E+01 H1 80 1.008000 0.423800 4.8463E+00 1.9274E+01 1.4848E+01 H2 81 1.008000 0.423800 6.3859E+00 1.9443E+01 1.5365E+01 O6 82 15.999400 -0.847600 -2.8525E+00 -8.9742E+00 4.1785E+00 H1 83 1.008000 0.423800 -3.7323E+00 -8.4989E+00 4.1794E+00 H2 84 1.008000 0.423800 -2.3607E+00 -8.7667E+00 5.0241E+00 O6 85 15.999400 -0.847600 7.2903E+00 5.9442E+00 -1.1942E+01 H1 86 1.008000 0.423800 7.5167E+00 5.0774E+00 -1.1498E+01 H2 87 1.008000 0.423800 6.9091E+00 5.7642E+00 -1.2849E+01 O6 88 15.999400 -0.847600 7.8639E+00 -1.5348E+01 -7.5357E+00 H1 89 1.008000 0.423800 8.0891E+00 -1.6261E+01 -7.1966E+00 H2 90 1.008000 0.423800 7.9945E+00 -1.4679E+01 -6.8038E+00 O6 91 15.999400 -0.847600 -6.1784E+00 -1.3776E+01 -5.0769E+00 H1 92 1.008000 0.423800 -7.0974E+00 -1.3382E+01 -5.0658E+00 H2 93 1.008000 0.423800 -6.1734E+00 -1.4594E+01 -5.6520E+00 O6 94 15.999400 -0.847600 -1.6786E+01 3.3893E+00 4.1575E+00 H1 95 1.008000 0.423800 -1.6303E+01 4.2641E+00 4.1952E+00 H2 96 1.008000 0.423800 -1.6953E+01 3.1413E+00 3.2032E+00 O6 97 15.999400 -0.847600 1.2550E+01 4.8605E+00 1.5509E+01 H1 98 1.008000 0.423800 1.2236E+01 4.3539E+00 1.4706E+01 H2 99 1.008000 0.423800 1.2662E+01 4.2306E+00 1.6278E+01 O6 100 15.999400 -0.847600 -1.7154E+00 -1.6530E+01 7.3721E+00 H1 101 1.008000 0.423800 -1.2173E+00 -1.7263E+01 6.9093E+00 H2 102 1.008000 0.423800 -2.1932E+00 -1.6902E+01 8.1678E+00 O6 103 15.999400 -0.847600 1.7959E+01 3.6492E+00 -7.2153E+00 H1 104 1.008000 0.423800 1.8241E+01 4.4934E+00 -7.6708E+00 H2 105 1.008000 0.423800 1.7394E+01 3.8721E+00 -6.4210E+00 O6 106 15.999400 -0.847600 5.9358E+00 1.3577E+01 -1.8880E+01 H1 107 1.008000 0.423800 6.2347E+00 1.2705E+01 -1.8494E+01 H2 108 1.008000 0.423800 5.7693E+00 1.4230E+01 -1.8141E+01 O6 109 15.999400 -0.847600 -1.0890E+01 1.9130E+01 1.4958E+01 H1 110 1.008000 0.423800 -1.0944E+01 1.8140E+01 1.4826E+01 H2 111 1.008000 0.423800 -9.9589E+00 1.9441E+01 1.4768E+01 O6 112 15.999400 -0.847600 9.0931E+00 -2.0370E+00 4.0870E+00 H1 113 1.008000 0.423800 9.5568E+00 -1.1794E+00 3.8643E+00 H2 114 1.008000 0.423800 9.2980E+00 -2.2910E+00 5.0322E+00 O6 115 15.999400 -0.847600 -1.8230E+01 -1.3919E+01 -1.4940E+01 H1 116 1.008000 0.423800 -1.8892E+01 -1.4356E+01 -1.4332E+01 H2 117 1.008000 0.423800 -1.8603E+01 -1.3052E+01 -1.5272E+01 O6 118 15.999400 -0.847600 2.7473E-01 5.9225E-01 6.7194E+00 H1 119 1.008000 0.423800 1.0021E+00 1.3447E-02 7.0882E+00 H2 120 1.008000 0.423800 -5.0246E-01 5.9231E-01 7.3487E+00 O6 121 15.999400 -0.847600 -5.5783E+00 3.7483E+00 1.1757E+00 H1 122 1.008000 0.423800 -4.7766E+00 3.1881E+00 9.6711E-01 H2 123 1.008000 0.423800 -5.5336E+00 4.0528E+00 2.1271E+00 O6 124 15.999400 -0.847600 3.4222E+00 1.8064E+01 1.5346E+01 H1 125 1.008000 0.423800 2.8980E+00 1.8857E+01 1.5654E+01 H2 126 1.008000 0.423800 3.7008E+00 1.7520E+01 1.6137E+01 O6 127 15.999400 -0.847600 -1.9530E+01 1.6737E+01 1.3202E+01 H1 128 1.008000 0.423800 1.8650E+01 1.6940E+01 1.3543E+01 H2 129 1.008000 0.423800 -1.8850E+01 1.7089E+01 1.3845E+01 O6 130 15.999400 -0.847600 1.3215E+01 -8.4669E+00 -7.3054E+00 H1 131 1.008000 0.423800 1.3231E+01 -9.4635E+00 -7.2254E+00 H2 132 1.008000 0.423800 1.3197E+01 -8.0595E+00 -6.3923E+00 O6 133 15.999400 -0.847600 -1.8756E+01 5.8165E+00 2.9255E+00 H1 134 1.008000 0.423800 -1.8118E+01 5.1461E+00 3.3044E+00 H2 135 1.008000 0.423800 -1.8279E+01 6.6824E+00 2.7749E+00 O6 136 15.999400 -0.847600 1.8910E+01 9.0807E+00 1.0902E+01 H1 137 1.008000 0.423800 1.9095E+01 8.1076E+00 1.0765E+01 H2 138 1.008000 0.423800 1.7934E+01 9.2135E+00 1.1074E+01 O6 139 15.999400 -0.847600 5.6050E+00 1.7955E+01 -1.0237E+01 H1 140 1.008000 0.423800 5.2402E+00 1.7218E+01 -1.0806E+01 H2 141 1.008000 0.423800 5.9676E+00 1.7572E+01 -9.3871E+00 O6 142 15.999400 -0.847600 -1.6622E+01 -1.9518E+01 1.9564E+00 H1 143 1.008000 0.423800 -1.6359E+01 -1.8935E+01 1.1878E+00 H2 144 1.008000 0.423800 -1.6450E+01 1.8623E+01 1.7224E+00 O6 145 15.999400 -0.847600 -8.6900E+00 -7.2718E+00 8.7489E+00 H1 146 1.008000 0.423800 -8.8261E+00 -7.5963E+00 9.6849E+00 H2 147 1.008000 0.423800 -8.8087E+00 -8.0333E+00 8.1116E+00 O6 148 15.999400 -0.847600 -9.9628E-01 1.1058E+01 -2.8472E+00 H1 149 1.008000 0.423800 -1.7281E+00 1.0439E+01 -3.1316E+00 H2 150 1.008000 0.423800 -9.3184E-01 1.1062E+01 -1.8493E+00 O6 151 15.999400 -0.847600 1.5969E+01 -1.4823E+01 -3.0992E+00 H1 152 1.008000 0.423800 1.6760E+01 -1.4338E+01 -3.4720E+00 H2 153 1.008000 0.423800 1.5592E+01 -1.5432E+01 -3.7969E+00 O6 154 15.999400 -0.847600 -1.6490E+01 1.1397E+01 -1.8472E+01 H1 155 1.008000 0.423800 -1.6846E+01 1.0646E+01 -1.9028E+01 H2 156 1.008000 0.423800 -1.7027E+01 1.2223E+01 -1.8645E+01 O6 157 15.999400 -0.847600 1.3723E+01 -2.2739E+00 -1.3180E+01 H1 158 1.008000 0.423800 1.3416E+01 -3.2065E+00 -1.2989E+01 H2 159 1.008000 0.423800 1.3354E+01 -1.6538E+00 -1.2487E+01 O6 160 15.999400 -0.847600 -1.4755E+01 3.4970E+00 -1.6853E+01 H1 161 1.008000 0.423800 -1.4041E+01 3.0435E+00 -1.6318E+01 H2 162 1.008000 0.423800 -1.5396E+01 3.9517E+00 -1.6235E+01 O6 163 15.999400 -0.847600 1.1409E+01 -1.5294E+01 -8.3319E+00 H1 164 1.008000 0.423800 1.1161E+01 -1.4954E+01 -7.4249E+00 H2 165 1.008000 0.423800 1.1301E+01 -1.6288E+01 -8.3559E+00 O6 166 15.999400 -0.847600 1.2851E+01 9.4797E+00 -1.9186E+01 H1 167 1.008000 0.423800 1.3530E+01 8.9746E+00 -1.8653E+01 H2 168 1.008000 0.423800 1.2704E+01 9.0188E+00 1.9036E+01 O6 169 15.999400 -0.847600 -4.9789E+00 -1.6689E+01 1.0632E+01 H1 170 1.008000 0.423800 -5.1100E+00 -1.7314E+01 1.1401E+01 H2 171 1.008000 0.423800 -4.4005E+00 -1.5925E+01 1.0918E+01 O6 172 15.999400 -0.847600 -1.1259E+01 1.0455E+01 9.9115E+00 H1 173 1.008000 0.423800 -1.0736E+01 1.1093E+01 9.3454E+00 H2 174 1.008000 0.423800 -1.2236E+01 1.0582E+01 9.7409E+00 O6 175 15.999400 -0.847600 -9.7051E+00 -1.8823E+01 -1.0633E+00 H1 176 1.008000 0.423800 -8.8369E+00 -1.8807E+01 -5.6716E-01 H2 177 1.008000 0.423800 -9.7352E+00 1.9469E+01 -1.6557E+00 O6 178 15.999400 -0.847600 8.2886E+00 1.4422E+01 6.1749E+00 H1 179 1.008000 0.423800 7.3298E+00 1.4144E+01 6.2291E+00 H2 180 1.008000 0.423800 8.3887E+00 1.5346E+01 6.5448E+00 O6 181 15.999400 -0.847600 1.6130E+01 8.5661E+00 -1.0024E+01 H1 182 1.008000 0.423800 1.5635E+01 8.1537E+00 -9.2583E+00 H2 183 1.008000 0.423800 1.5550E+01 8.5576E+00 -1.0838E+01 O6 184 15.999400 -0.847600 -1.0003E+01 -8.4451E+00 1.3526E+01 H1 185 1.008000 0.423800 -9.6650E+00 -7.8120E+00 1.4222E+01 H2 186 1.008000 0.423800 -1.0948E+01 -8.2128E+00 1.3295E+01 O6 187 15.999400 -0.847600 3.4604E+00 -7.9286E+00 1.5165E+01 H1 188 1.008000 0.423800 2.5487E+00 -8.3189E+00 1.5293E+01 H2 189 1.008000 0.423800 3.4685E+00 -7.3657E+00 1.4338E+01 O6 190 15.999400 -0.847600 -1.2693E+01 -1.8485E+01 1.9479E+01 H1 191 1.008000 0.423800 -1.3179E+01 -1.9227E+01 -1.9157E+01 H2 192 1.008000 0.423800 -1.3129E+01 -1.7612E+01 -1.9397E+01 O6 193 15.999400 -0.847600 -9.5519E+00 1.8216E+01 1.7961E+01 H1 194 1.008000 0.423800 -8.7851E+00 1.7932E+01 1.7385E+01 H2 195 1.008000 0.423800 -9.3719E+00 1.9127E+01 1.8330E+01 O6 196 15.999400 -0.847600 -6.1612E+00 1.7483E+01 -5.7767E+00 H1 197 1.008000 0.423800 -6.1642E+00 1.6573E+01 -5.3618E+00 H2 198 1.008000 0.423800 -6.2078E+00 1.8177E+01 -5.0583E+00 O6 199 15.999400 -0.847600 -9.1506E+00 -1.4024E+01 -3.2447E+00 H1 200 1.008000 0.423800 -8.9715E+00 -1.4948E+01 -3.5808E+00 H2 201 1.008000 0.423800 -8.8698E+00 -1.3957E+01 -2.2872E+00 O6 202 15.999400 -0.847600 -1.7290E+01 4.8403E+00 -8.9202E+00 H1 203 1.008000 0.423800 -1.6887E+01 5.5945E+00 -9.4387E+00 H2 204 1.008000 0.423800 -1.6757E+01 4.0084E+00 -9.0728E+00 O6 205 15.999400 -0.847600 1.4037E+01 2.9357E+00 2.9508E+00 H1 206 1.008000 0.423800 1.4254E+01 2.7672E+00 3.9125E+00 H2 207 1.008000 0.423800 1.3110E+01 3.3030E+00 2.8772E+00 O6 208 15.999400 -0.847600 1.6158E+01 7.9036E+00 -6.0517E+00 H1 209 1.008000 0.423800 1.5365E+01 7.7586E+00 -6.6436E+00 H2 210 1.008000 0.423800 1.6046E+01 8.7605E+00 -5.5486E+00 O6 211 15.999400 -0.847600 6.1186E+00 -1.6429E+01 -4.3013E+00 H1 212 1.008000 0.423800 5.9809E+00 -1.7136E+01 -4.9946E+00 H2 213 1.008000 0.423800 5.9074E+00 -1.5533E+01 -4.6926E+00 O6 214 15.999400 -0.847600 -4.9556E+00 -7.0438E+00 -8.5544E+00 H1 215 1.008000 0.423800 -5.1779E+00 -7.2257E+00 -9.5123E+00 H2 216 1.008000 0.423800 -5.7996E+00 -6.8967E+00 -8.0385E+00 O6 217 15.999400 -0.847600 1.2801E+01 -1.4591E+01 -7.4332E-01 H1 218 1.008000 0.423800 1.2089E+01 -1.5173E+01 -3.5090E-01 H2 219 1.008000 0.423800 1.3639E+01 -1.5124E+01 -8.6188E-01 O6 220 15.999400 -0.847600 4.9892E+00 -4.6446E+00 4.3574E+00 H1 221 1.008000 0.423800 5.1956E+00 -5.0393E+00 5.2527E+00 H2 222 1.008000 0.423800 5.7723E+00 -4.1095E+00 4.0406E+00 O6 223 15.999400 -0.847600 9.6855E+00 1.7354E+01 1.4131E+01 H1 224 1.008000 0.423800 9.5425E+00 1.7167E+01 1.5103E+01 H2 225 1.008000 0.423800 9.6533E+00 1.6496E+01 1.3618E+01 O6 226 15.999400 -0.847600 -1.2821E+01 7.7650E+00 1.3334E+01 H1 227 1.008000 0.423800 -1.2708E+01 7.3339E+00 1.4229E+01 H2 228 1.008000 0.423800 -1.3048E+01 8.7314E+00 1.3455E+01 O6 229 15.999400 -0.847600 4.2102E+00 1.1887E+01 -1.6018E+01 H1 230 1.008000 0.423800 3.6957E+00 1.2726E+01 -1.6195E+01 H2 231 1.008000 0.423800 4.7352E+00 1.1990E+01 -1.5173E+01 O6 232 15.999400 -0.847600 1.9278E+01 4.3009E-02 -9.6007E+00 H1 233 1.008000 0.423800 -1.9360E+01 -7.0486E-01 -1.0079E+01 H2 234 1.008000 0.423800 -1.9173E+01 4.9037E-01 -8.9826E+00 O6 235 15.999400 -0.847600 1.1802E+01 -9.2560E+00 7.3851E-01 H1 236 1.008000 0.423800 1.1895E+01 -8.3658E+00 1.1845E+00 H2 237 1.008000 0.423800 1.1438E+01 -9.9196E+00 1.3919E+00 O6 238 15.999400 -0.847600 7.0502E+00 -5.2400E+00 1.0101E+01 H1 239 1.008000 0.423800 7.1619E+00 -5.7010E+00 9.2207E+00 H2 240 1.008000 0.423800 6.3337E+00 -4.5464E+00 1.0025E+01 O6 241 15.999400 -0.847600 -1.9043E+01 1.4016E+00 -1.5675E+01 H1 242 1.008000 0.423800 1.9548E+01 2.0463E+00 -1.5103E+01 H2 243 1.008000 0.423800 -1.9377E+01 1.4575E+00 -1.6616E+01 O6 244 15.999400 -0.847600 1.8000E+01 -1.5104E+01 7.9642E+00 H1 245 1.008000 0.423800 1.7553E+01 -1.4292E+01 7.5897E+00 H2 246 1.008000 0.423800 1.7741E+01 -1.5214E+01 8.9238E+00 O6 247 15.999400 -0.847600 1.4607E+00 -7.8067E+00 -5.2509E+00 H1 248 1.008000 0.423800 2.2822E+00 -7.8058E+00 -5.8212E+00 H2 249 1.008000 0.423800 8.2780E-01 -7.1045E+00 -5.5771E+00 O6 250 15.999400 -0.847600 -3.2567E+00 1.3437E+01 -8.2709E+00 H1 251 1.008000 0.423800 -3.1553E+00 1.4342E+01 -7.8578E+00 H2 252 1.008000 0.423800 -3.4155E+00 1.3535E+01 -9.2533E+00 O6 253 15.999400 -0.847600 9.2157E+00 4.5614E+00 -1.5271E+01 H1 254 1.008000 0.423800 1.0034E+01 4.0692E+00 -1.5568E+01 H2 255 1.008000 0.423800 8.8541E+00 4.1369E+00 -1.4441E+01 O6 256 15.999400 -0.847600 2.7568E+00 1.3508E+01 4.9755E+00 H1 257 1.008000 0.423800 3.4875E+00 1.4075E+01 5.3569E+00 H2 258 1.008000 0.423800 2.3699E+00 1.3960E+01 4.1718E+00 O6 259 15.999400 -0.847600 -5.3223E+00 1.1240E+01 -9.7003E-01 H1 260 1.008000 0.423800 -6.0172E+00 1.0527E+01 -8.7289E-01 H2 261 1.008000 0.423800 -5.1791E+00 1.1436E+01 -1.9402E+00 O6 262 15.999400 -0.847600 -4.5830E-01 -3.6197E+00 1.1496E+01 H1 263 1.008000 0.423800 -3.0611E-01 -2.8598E+00 1.0864E+01 H2 264 1.008000 0.423800 -2.6887E-01 -3.3189E+00 1.2431E+01 O6 265 15.999400 -0.847600 -1.8608E+01 -3.2408E+00 -8.3640E+00 H1 266 1.008000 0.423800 -1.8975E+01 -2.4456E+00 -8.8463E+00 H2 267 1.008000 0.423800 -1.8622E+01 -3.0690E+00 -7.3789E+00 O6 268 15.999400 -0.847600 -3.5773E+00 1.3263E+01 8.2368E+00 H1 269 1.008000 0.423800 -2.6923E+00 1.3327E+01 7.7755E+00 H2 270 1.008000 0.423800 -3.7237E+00 1.4082E+01 8.7919E+00 O6 271 15.999400 -0.847600 4.0899E+00 1.1094E+00 -1.8861E+01 H1 272 1.008000 0.423800 3.7185E+00 3.2858E-01 -1.8358E+01 H2 273 1.008000 0.423800 4.7238E+00 1.6126E+00 -1.8273E+01 O6 274 15.999400 -0.847600 -6.1022E+00 -6.7732E+00 -2.3202E+00 H1 275 1.008000 0.423800 -6.8956E+00 -7.1088E+00 -2.8282E+00 H2 276 1.008000 0.423800 -5.8507E+00 -7.4386E+00 -1.6174E+00 O6 277 15.999400 -0.847600 6.4567E+00 -2.4895E+00 -1.8540E+01 H1 278 1.008000 0.423800 7.3062E+00 -1.9810E+00 -1.8399E+01 H2 279 1.008000 0.423800 5.9604E+00 -2.1007E+00 -1.9316E+01 O6 280 15.999400 -0.847600 -5.1426E+00 1.5253E-01 1.5843E+01 H1 281 1.008000 0.423800 -5.1430E+00 2.6309E-01 1.4849E+01 H2 282 1.008000 0.423800 -6.0656E+00 3.0612E-01 1.6196E+01 O6 283 15.999400 -0.847600 4.2476E+00 -3.2714E+00 1.3122E+01 H1 284 1.008000 0.423800 3.6686E+00 -2.5239E+00 1.3448E+01 H2 285 1.008000 0.423800 5.0723E+00 -3.3236E+00 1.3685E+01 O6 286 15.999400 -0.847600 -8.8359E+00 -6.9809E+00 1.7167E+01 H1 287 1.008000 0.423800 -8.8815E+00 -6.4970E+00 1.6293E+01 H2 288 1.008000 0.423800 -8.4458E+00 -7.8905E+00 1.7025E+01 O6 289 15.999400 -0.847600 -1.0872E+01 -9.3466E+00 5.6778E-01 H1 290 1.008000 0.423800 -1.0649E+01 -1.0145E+01 8.5125E-03 H2 291 1.008000 0.423800 -1.0462E+01 -8.5300E+00 1.6172E-01 O6 292 15.999400 -0.847600 -1.0644E+01 -9.3187E+00 -3.1630E+00 H1 293 1.008000 0.423800 -1.1252E+01 -8.6300E+00 -2.7682E+00 H2 294 1.008000 0.423800 -1.0578E+01 -1.0100E+01 -2.5427E+00 O6 295 15.999400 -0.847600 -1.9254E+01 1.4759E+01 2.7962E-01 H1 296 1.008000 0.423800 1.9330E+01 1.5246E+01 -4.2642E-01 H2 297 1.008000 0.423800 -1.9068E+01 1.5377E+01 1.0432E+00 O6 298 15.999400 -0.847600 8.0635E+00 1.4268E+01 -1.0774E+01 H1 299 1.008000 0.423800 8.0339E+00 1.3439E+01 -1.1333E+01 H2 300 1.008000 0.423800 9.0148E+00 1.4496E+01 -1.0567E+01 O6 301 15.999400 -0.847600 6.7302E+00 -5.5480E+00 -1.3193E+01 H1 302 1.008000 0.423800 6.6861E+00 -6.5460E+00 -1.3237E+01 H2 303 1.008000 0.423800 7.6835E+00 -5.2602E+00 -1.3102E+01 O6 304 15.999400 -0.847600 1.0228E+01 -5.1566E+00 -5.0993E-01 H1 305 1.008000 0.423800 9.5714E+00 -5.7008E+00 -1.0327E+00 H2 306 1.008000 0.423800 1.0019E+01 -5.2299E+00 4.6537E-01 O6 307 15.999400 -0.847600 7.2506E+00 -1.4277E+01 1.6222E+01 H1 308 1.008000 0.423800 7.7084E+00 -1.5090E+01 1.5864E+01 H2 309 1.008000 0.423800 6.9323E+00 -1.3711E+01 1.5461E+01 O6 310 15.999400 -0.847600 1.0113E+01 -3.5040E+00 -7.6084E+00 H1 311 1.008000 0.423800 9.5290E+00 -3.8335E+00 -6.8663E+00 H2 312 1.008000 0.423800 1.0994E+01 -3.9759E+00 -7.5741E+00 O6 313 15.999400 -0.847600 -9.1700E+00 -2.2642E+00 4.0622E+00 H1 314 1.008000 0.423800 -9.5042E+00 -3.1842E+00 4.2671E+00 H2 315 1.008000 0.423800 -9.9099E+00 -1.6042E+00 4.1923E+00 O6 316 15.999400 -0.847600 -8.3510E+00 -1.9193E+01 -1.1577E+01 H1 317 1.008000 0.423800 -8.6243E+00 1.9174E+01 -1.0952E+01 H2 318 1.008000 0.423800 -8.2185E+00 -1.8346E+01 -1.1063E+01 O6 319 15.999400 -0.847600 1.2149E+01 -6.6789E+00 1.8909E+01 H1 320 1.008000 0.423800 1.2479E+01 -6.2068E+00 -1.9371E+01 H2 321 1.008000 0.423800 1.1391E+01 -7.2817E+00 1.9156E+01 O6 322 15.999400 -0.847600 -1.8344E+01 1.6508E+01 -1.5678E+01 H1 323 1.008000 0.423800 -1.9217E+01 1.6117E+01 -1.5388E+01 H2 324 1.008000 0.423800 -1.7600E+01 1.6078E+01 -1.5166E+01 O6 325 15.999400 -0.847600 6.8550E-01 -1.0280E+01 -1.5967E+01 H1 326 1.008000 0.423800 3.8996E-01 -1.0942E+01 -1.5279E+01 H2 327 1.008000 0.423800 1.8525E-01 -9.4228E+00 -1.5842E+01 O6 328 15.999400 -0.847600 4.6362E+00 1.5569E+01 -1.6756E+00 H1 329 1.008000 0.423800 5.2437E+00 1.5377E+01 -2.4466E+00 H2 330 1.008000 0.423800 5.1819E+00 1.5809E+01 -8.7290E-01 O6 331 15.999400 -0.847600 1.8086E+01 1.8889E+00 -1.1107E+01 H1 332 1.008000 0.423800 1.7353E+01 2.2098E+00 -1.0508E+01 H2 333 1.008000 0.423800 1.8580E+01 1.1423E+00 -1.0661E+01 O6 334 15.999400 -0.847600 -1.5834E+01 -1.6041E+01 -1.1062E+01 H1 335 1.008000 0.423800 -1.5013E+01 -1.5568E+01 -1.0741E+01 H2 336 1.008000 0.423800 -1.5571E+01 -1.6797E+01 -1.1661E+01 O6 337 15.999400 -0.847600 -7.2258E-01 -3.3672E+00 1.8339E+01 H1 338 1.008000 0.423800 -4.4426E-01 -3.4497E+00 1.7382E+01 H2 339 1.008000 0.423800 5.3564E-02 -3.5827E+00 1.8932E+01 O6 340 15.999400 -0.847600 9.7928E-01 3.6542E+00 1.6719E+01 H1 341 1.008000 0.423800 1.8613E-01 3.4679E+00 1.7299E+01 H2 342 1.008000 0.423800 1.7182E+00 3.0220E+00 1.6952E+01 O6 343 15.999400 -0.847600 4.4601E-01 -1.8010E+01 -3.4747E+00 H1 344 1.008000 0.423800 -1.1360E-01 -1.8175E+01 -4.2869E+00 H2 345 1.008000 0.423800 1.3178E+00 -1.7603E+01 -3.7477E+00 O6 346 15.999400 -0.847600 -1.7661E+01 -1.0221E+01 3.8452E+00 H1 347 1.008000 0.423800 -1.8134E+01 -1.1102E+01 3.8389E+00 H2 348 1.008000 0.423800 -1.7573E+01 -9.8834E+00 2.9081E+00 O6 349 15.999400 -0.847600 1.3750E+00 -1.2854E+01 1.1188E+01 H1 350 1.008000 0.423800 1.2671E+00 -1.2002E+01 1.1700E+01 H2 351 1.008000 0.423800 1.8260E+00 -1.3534E+01 1.1766E+01 O6 352 15.999400 -0.847600 -1.4794E+01 -1.9525E+01 -1.7710E+01 H1 353 1.008000 0.423800 -1.5635E+01 -1.8988E+01 -1.7642E+01 H2 354 1.008000 0.423800 -1.4138E+01 -1.9204E+01 -1.7027E+01 O6 355 15.999400 -0.847600 1.0030E+01 -1.0915E+01 -9.6372E+00 H1 356 1.008000 0.423800 1.1000E+01 -1.1115E+01 -9.4990E+00 H2 357 1.008000 0.423800 9.5454E+00 -1.1760E+01 -9.8644E+00 O6 358 15.999400 -0.847600 -1.9043E+01 -1.6236E+01 7.0177E+00 H1 359 1.008000 0.423800 1.9219E+01 -1.5824E+01 7.3821E+00 H2 360 1.008000 0.423800 -1.8253E+01 -1.5894E+01 7.5269E+00 O6 361 15.999400 -0.847600 -1.4644E+01 -9.7608E+00 7.2526E+00 H1 362 1.008000 0.423800 -1.5391E+01 -1.0170E+01 6.7282E+00 H2 363 1.008000 0.423800 -1.3981E+01 -1.0468E+01 7.4960E+00 O6 364 15.999400 -0.847600 1.0311E+01 1.9951E+00 -6.7728E+00 H1 365 1.008000 0.423800 9.7267E+00 2.6184E+00 -7.2922E+00 H2 366 1.008000 0.423800 1.0059E+01 2.0292E+00 -5.8058E+00 O6 367 15.999400 -0.847600 3.1640E+00 -4.8079E+00 -6.1972E+00 H1 368 1.008000 0.423800 3.4695E+00 -4.5753E+00 -7.1206E+00 H2 369 1.008000 0.423800 2.3172E+00 -4.3169E+00 -5.9928E+00 O6 370 15.999400 -0.847600 -1.8469E+01 9.3782E+00 -6.6928E+00 H1 371 1.008000 0.423800 -1.8380E+01 1.0133E+01 -7.3432E+00 H2 372 1.008000 0.423800 -1.8840E+01 9.7234E+00 -5.8309E+00 O6 373 15.999400 -0.847600 3.7062E+00 -1.1701E+01 -1.3969E+01 H1 374 1.008000 0.423800 3.5540E+00 -1.1295E+01 -1.4870E+01 H2 375 1.008000 0.423800 4.4980E+00 -1.2311E+01 -1.4008E+01 O6 376 15.999400 -0.847600 -1.6905E+01 -1.8112E+01 -1.7048E+01 H1 377 1.008000 0.423800 -1.7386E+01 -1.7239E+01 -1.6971E+01 H2 378 1.008000 0.423800 -1.7144E+01 -1.8694E+01 -1.6271E+01 O6 379 15.999400 -0.847600 -1.9228E+01 -5.6837E-01 -1.9294E+01 H1 380 1.008000 0.423800 -1.9005E+01 2.3636E-01 -1.8743E+01 H2 381 1.008000 0.423800 -1.8388E+01 -9.5427E-01 1.9423E+01 O6 382 15.999400 -0.847600 6.0211E+00 1.5535E+01 -1.6543E+01 H1 383 1.008000 0.423800 6.7236E+00 1.5089E+01 -1.5988E+01 H2 384 1.008000 0.423800 6.2293E+00 1.6509E+01 -1.6625E+01 O6 385 15.999400 -0.847600 2.8308E+00 -1.1692E+01 -1.8515E+01 H1 386 1.008000 0.423800 2.3901E+00 -1.2119E+01 -1.9305E+01 H2 387 1.008000 0.423800 2.9731E+00 -1.2379E+01 -1.7802E+01 O6 388 15.999400 -0.847600 -1.7545E+01 -1.9516E+01 7.8490E+00 H1 389 1.008000 0.423800 -1.8492E+01 1.9418E+01 8.1239E+00 H2 390 1.008000 0.423800 -1.7450E+01 1.9421E+01 6.8664E+00 O6 391 15.999400 -0.847600 -2.3911E+00 -2.0073E-01 -1.3029E+01 H1 392 1.008000 0.423800 -1.9313E+00 -4.3270E-01 -1.2172E+01 H2 393 1.008000 0.423800 -1.7998E+00 -4.3888E-01 -1.3800E+01 O6 394 15.999400 -0.847600 -9.5928E+00 -1.1805E+00 -9.3354E+00 H1 395 1.008000 0.423800 -1.0394E+01 -1.7723E+00 -9.4276E+00 H2 396 1.008000 0.423800 -8.8181E+00 -1.7176E+00 -9.0018E+00 O6 397 15.999400 -0.847600 1.0786E+01 -1.3394E+01 -1.9262E+01 H1 398 1.008000 0.423800 1.0169E+01 -1.3549E+01 -1.8491E+01 H2 399 1.008000 0.423800 1.0290E+01 -1.3530E+01 1.8978E+01 O6 400 15.999400 -0.847600 1.0342E+01 -7.2271E+00 -6.2801E+00 H1 401 1.008000 0.423800 9.9594E+00 -6.3712E+00 -5.9323E+00 H2 402 1.008000 0.423800 1.0627E+01 -7.1029E+00 -7.2307E+00 O6 403 15.999400 -0.847600 4.2516E+00 8.3524E+00 9.8618E-01 H1 404 1.008000 0.423800 3.3074E+00 8.6804E+00 9.5602E-01 H2 405 1.008000 0.423800 4.3053E+00 7.5448E+00 1.5734E+00 O6 406 15.999400 -0.847600 -5.8216E+00 -1.3988E+01 2.5479E+00 H1 407 1.008000 0.423800 -5.2248E+00 -1.4750E+01 2.8017E+00 H2 408 1.008000 0.423800 -6.2316E+00 -1.3597E+01 3.3718E+00 O6 409 15.999400 -0.847600 1.8963E+01 1.7577E+01 6.6198E+00 H1 410 1.008000 0.423800 1.8681E+01 1.8197E+01 7.3522E+00 H2 411 1.008000 0.423800 -1.9267E+01 1.7145E+01 6.8646E+00 O6 412 15.999400 -0.847600 1.7974E+01 -9.4772E+00 -1.1317E+01 H1 413 1.008000 0.423800 1.7425E+01 -8.6434E+00 -1.1368E+01 H2 414 1.008000 0.423800 1.7662E+01 -1.0037E+01 -1.0549E+01 O6 415 15.999400 -0.847600 -1.0169E+01 -2.0947E+00 -6.3698E+00 H1 416 1.008000 0.423800 -1.0944E+01 -1.5468E+00 -6.6850E+00 H2 417 1.008000 0.423800 -1.0458E+01 -2.6725E+00 -5.6065E+00 O6 418 15.999400 -0.847600 -1.2440E+01 -6.6715E+00 1.6590E+01 H1 419 1.008000 0.423800 -1.1811E+01 -7.1143E+00 1.7229E+01 H2 420 1.008000 0.423800 -1.2570E+01 -5.7171E+00 1.6858E+01 O6 421 15.999400 -0.847600 4.9149E+00 -1.9250E+01 -1.2033E+01 H1 422 1.008000 0.423800 5.2041E+00 1.9256E+01 -1.1280E+01 H2 423 1.008000 0.423800 3.9160E+00 -1.9225E+01 -1.2072E+01 O6 424 15.999400 -0.847600 1.2095E+01 1.5459E+01 -4.0273E+00 H1 425 1.008000 0.423800 1.1429E+01 1.5902E+01 -4.6267E+00 H2 426 1.008000 0.423800 1.2988E+01 1.5895E+01 -4.1405E+00 O6 427 15.999400 -0.847600 -1.6637E+01 -1.7450E+01 -4.9481E+00 H1 428 1.008000 0.423800 -1.7015E+01 -1.6527E+01 -4.8814E+00 H2 429 1.008000 0.423800 -1.7167E+01 -1.7980E+01 -5.6110E+00 O6 430 15.999400 -0.847600 -2.9557E+00 -2.8961E+00 -3.1172E+00 H1 431 1.008000 0.423800 -3.5205E+00 -3.3905E+00 -3.7780E+00 H2 432 1.008000 0.423800 -3.5442E+00 -2.3701E+00 -2.5034E+00 O6 433 15.999400 -0.847600 -1.8150E+01 3.4399E+00 -6.7493E+00 H1 434 1.008000 0.423800 -1.9075E+01 3.7338E+00 -6.5101E+00 H2 435 1.008000 0.423800 -1.7786E+01 4.0339E+00 -7.4671E+00 O6 436 15.999400 -0.847600 -3.1770E+00 -1.4931E+01 1.1533E+01 H1 437 1.008000 0.423800 -3.4015E+00 -1.3956E+01 1.1519E+01 H2 438 1.008000 0.423800 -2.2158E+00 -1.5055E+01 1.1286E+01 O6 439 15.999400 -0.847600 5.8940E+00 -9.6319E-01 9.4149E+00 H1 440 1.008000 0.423800 5.0463E+00 -4.3316E-01 9.4374E+00 H2 441 1.008000 0.423800 6.6637E+00 -3.7105E-01 9.6534E+00 O6 442 15.999400 -0.847600 1.3954E+01 1.5987E+01 1.8506E+01 H1 443 1.008000 0.423800 1.3238E+01 1.6518E+01 1.8052E+01 H2 444 1.008000 0.423800 1.4652E+01 1.5729E+01 1.7838E+01 O6 445 15.999400 -0.847600 -9.7823E+00 -1.2071E+01 6.9780E+00 H1 446 1.008000 0.423800 -8.8356E+00 -1.2394E+01 6.9701E+00 H2 447 1.008000 0.423800 -1.0217E+01 -1.2294E+01 6.1054E+00 O6 448 15.999400 -0.847600 1.3702E+01 -1.9033E+01 7.1415E+00 H1 449 1.008000 0.423800 1.2816E+01 -1.8589E+01 7.0098E+00 H2 450 1.008000 0.423800 1.3743E+01 -1.9430E+01 8.0584E+00 O6 451 15.999400 -0.847600 -1.2063E+00 -1.4316E+01 1.5201E+01 H1 452 1.008000 0.423800 -7.2562E-01 -1.4795E+01 1.5935E+01 H2 453 1.008000 0.423800 -6.3003E-01 -1.3577E+01 1.4852E+01 O6 454 15.999400 -0.847600 -1.0713E+00 9.7035E+00 -1.8347E+01 H1 455 1.008000 0.423800 -7.9541E-01 1.0328E+01 -1.9078E+01 H2 456 1.008000 0.423800 -7.9243E-01 8.7722E+00 -1.8581E+01 O6 457 15.999400 -0.847600 -8.1547E-01 -5.5600E+00 -1.4161E+01 H1 458 1.008000 0.423800 -1.7227E+00 -5.7828E+00 -1.3804E+01 H2 459 1.008000 0.423800 -5.0507E-01 -6.2944E+00 -1.4764E+01 O6 460 15.999400 -0.847600 1.5293E+01 -8.8842E+00 -2.8368E+00 H1 461 1.008000 0.423800 1.4398E+01 -9.3273E+00 -2.8886E+00 H2 462 1.008000 0.423800 1.5506E+01 -8.6738E+00 -1.8827E+00 O6 463 15.999400 -0.847600 -3.3421E+00 -1.1327E+01 -1.4069E+01 H1 464 1.008000 0.423800 -4.2028E+00 -1.1010E+01 -1.3671E+01 H2 465 1.008000 0.423800 -2.5770E+00 -1.0992E+01 -1.3519E+01 O6 466 15.999400 -0.847600 1.7534E+01 -9.3086E+00 8.5299E+00 H1 467 1.008000 0.423800 1.7433E+01 -9.0440E+00 7.5708E+00 H2 468 1.008000 0.423800 1.8446E+01 -9.0547E+00 8.8510E+00 O6 469 15.999400 -0.847600 -1.6671E+01 1.1824E+01 8.6286E-01 H1 470 1.008000 0.423800 -1.6138E+01 1.1047E+01 1.1998E+00 H2 471 1.008000 0.423800 -1.6900E+01 1.1678E+01 -9.9622E-02 O6 472 15.999400 -0.847600 -1.1509E+01 -1.4704E+01 1.3902E+00 H1 473 1.008000 0.423800 -1.2340E+01 -1.4765E+01 1.9424E+00 H2 474 1.008000 0.423800 -1.0714E+01 -1.4633E+01 1.9921E+00 O6 475 15.999400 -0.847600 4.5032E+00 1.5370E+01 -7.9098E+00 H1 476 1.008000 0.423800 4.9796E+00 1.6233E+01 -8.0810E+00 H2 477 1.008000 0.423800 5.0530E+00 1.4611E+01 -8.2579E+00 O6 478 15.999400 -0.847600 7.5006E+00 -6.3912E+00 7.4937E+00 H1 479 1.008000 0.423800 8.4632E+00 -6.2090E+00 7.2931E+00 H2 480 1.008000 0.423800 7.1229E+00 -6.9964E+00 6.7929E+00 O6 481 15.999400 -0.847600 -1.1062E+01 1.3889E+01 -1.9697E+00 H1 482 1.008000 0.423800 -1.1317E+01 1.3914E+01 -2.9365E+00 H2 483 1.008000 0.423800 -1.1153E+01 1.2955E+01 -1.6252E+00 O6 484 15.999400 -0.847600 1.2725E+01 2.5847E+00 -1.4559E+01 H1 485 1.008000 0.423800 1.3608E+01 2.1585E+00 -1.4362E+01 H2 486 1.008000 0.423800 1.1989E+01 1.9888E+00 -1.4239E+01 O6 487 15.999400 -0.847600 -3.1895E+00 1.9235E+00 1.0185E+00 H1 488 1.008000 0.423800 -3.6258E+00 1.0613E+00 1.2761E+00 H2 489 1.008000 0.423800 -2.3296E+00 2.0244E+00 1.5188E+00 O6 490 15.999400 -0.847600 -1.5794E+01 -1.6577E+01 2.4682E+00 H1 491 1.008000 0.423800 -1.6148E+01 -1.6101E+01 3.2733E+00 H2 492 1.008000 0.423800 -1.6033E+01 -1.7547E+01 2.5220E+00 O6 493 15.999400 -0.847600 -1.8871E+01 -4.7949E+00 -1.7389E+01 H1 494 1.008000 0.423800 1.9411E+01 -4.4035E+00 -1.6964E+01 H2 495 1.008000 0.423800 -1.8058E+01 -4.3266E+00 -1.7043E+01 O6 496 15.999400 -0.847600 -1.3550E+01 -7.2158E+00 3.6869E+00 H1 497 1.008000 0.423800 -1.4400E+01 -6.8947E+00 3.2703E+00 H2 498 1.008000 0.423800 -1.3599E+01 -7.0978E+00 4.6787E+00 O6 499 15.999400 -0.847600 -8.0376E+00 1.5724E+01 -9.8506E+00 H1 500 1.008000 0.423800 -7.8774E+00 1.6528E+01 -9.2775E+00 H2 501 1.008000 0.423800 -7.4670E+00 1.5780E+01 -1.0670E+01 O6 502 15.999400 -0.847600 1.9157E+01 9.3383E+00 1.2375E+00 H1 503 1.008000 0.423800 1.8843E+01 8.6946E+00 5.3971E-01 H2 504 1.008000 0.423800 1.9226E+01 1.0253E+01 8.3996E-01 O6 505 15.999400 -0.847600 -1.1576E+01 -3.5134E+00 8.4248E+00 H1 506 1.008000 0.423800 -1.0793E+01 -3.2411E+00 8.9843E+00 H2 507 1.008000 0.423800 -1.2358E+01 -3.7072E+00 9.0175E+00 O6 508 15.999400 -0.847600 1.5030E+01 -4.9472E+00 8.2360E+00 H1 509 1.008000 0.423800 1.5548E+01 -4.3055E+00 8.8019E+00 H2 510 1.008000 0.423800 1.5541E+01 -5.1408E+00 7.3987E+00 O6 511 15.999400 -0.847600 -1.1755E+00 -1.0853E+01 7.8668E+00 H1 512 1.008000 0.423800 -8.8633E-01 -1.1662E+01 7.3552E+00 H2 513 1.008000 0.423800 -6.4828E-01 -1.0789E+01 8.7141E+00 O6 514 15.999400 -0.847600 1.0759E+01 1.1221E+01 1.3831E+00 H1 515 1.008000 0.423800 9.9087E+00 1.1601E+01 1.7467E+00 H2 516 1.008000 0.423800 1.0815E+01 1.1408E+01 4.0244E-01 O6 517 15.999400 -0.847600 4.4752E+00 -1.6061E+01 2.2484E+00 H1 518 1.008000 0.423800 3.6995E+00 -1.5433E+01 2.3107E+00 H2 519 1.008000 0.423800 4.7525E+00 -1.6341E+01 3.1676E+00 O6 520 15.999400 -0.847600 7.4313E+00 -1.9095E+01 -9.1788E+00 H1 521 1.008000 0.423800 6.7841E+00 1.9337E+01 -9.5520E+00 H2 522 1.008000 0.423800 7.9726E+00 -1.9526E+01 -8.4568E+00 O6 523 15.999400 -0.847600 -1.1628E+01 1.6460E+01 1.7618E+01 H1 524 1.008000 0.423800 -1.1130E+01 1.5594E+01 1.7657E+01 H2 525 1.008000 0.423800 -1.1054E+01 1.7192E+01 1.7984E+01 O6 526 15.999400 -0.847600 1.7427E+00 -2.0759E-01 1.6349E+01 H1 527 1.008000 0.423800 2.2302E+00 6.5057E-01 1.6510E+01 H2 528 1.008000 0.423800 8.2279E-01 -1.4605E-01 1.6736E+01 O6 529 15.999400 -0.847600 -5.3790E+00 1.7908E+01 2.0459E+00 H1 530 1.008000 0.423800 -5.8026E+00 1.8064E+01 2.9383E+00 H2 531 1.008000 0.423800 -6.0291E+00 1.7443E+01 1.4448E+00 O6 532 15.999400 -0.847600 7.4961E+00 9.8381E+00 -5.6842E+00 H1 533 1.008000 0.423800 6.9871E+00 8.9793E+00 -5.6263E+00 H2 534 1.008000 0.423800 8.1885E+00 9.8644E+00 -4.9632E+00 O6 535 15.999400 -0.847600 -9.7891E+00 7.8455E+00 -1.8016E+01 H1 536 1.008000 0.423800 -9.0020E+00 8.4601E+00 -1.8068E+01 H2 537 1.008000 0.423800 -9.7989E+00 7.3916E+00 -1.7125E+01 O6 538 15.999400 -0.847600 3.2853E-01 -1.5683E+00 4.6771E+00 H1 539 1.008000 0.423800 6.9656E-02 -7.9137E-01 5.2510E+00 H2 540 1.008000 0.423800 9.3979E-01 -2.1718E+00 5.1891E+00 O6 541 15.999400 -0.847600 7.2761E+00 1.1191E+00 6.7483E+00 H1 542 1.008000 0.423800 7.9591E+00 1.4302E+00 7.4092E+00 H2 543 1.008000 0.423800 7.2938E+00 1.2065E-01 6.6957E+00 O6 544 15.999400 -0.847600 1.7875E+01 -1.2820E+01 5.2724E+00 H1 545 1.008000 0.423800 1.8467E+01 -1.3519E+01 4.8721E+00 H2 546 1.008000 0.423800 1.8434E+01 -1.2062E+01 5.6085E+00 O6 547 15.999400 -0.847600 -1.8683E+01 1.1558E+01 -8.6405E+00 H1 548 1.008000 0.423800 1.9543E+01 1.1384E+01 -9.0978E+00 H2 549 1.008000 0.423800 -1.7932E+01 1.1392E+01 -9.2800E+00 O6 550 15.999400 -0.847600 5.3872E-02 -2.0884E+00 -1.1969E-01 H1 551 1.008000 0.423800 4.8171E-01 -2.4517E+00 7.0793E-01 H2 552 1.008000 0.423800 4.2666E-01 -1.1817E+00 -3.1697E-01 O6 553 15.999400 -0.847600 1.0815E+01 -1.6345E+01 3.0794E-01 H1 554 1.008000 0.423800 1.0995E+01 -1.7264E+01 -4.1217E-02 H2 555 1.008000 0.423800 1.0898E+01 -1.6344E+01 1.3045E+00 O6 556 15.999400 -0.847600 8.2296E+00 1.2891E+00 3.7723E+00 H1 557 1.008000 0.423800 7.8148E+00 1.4094E+00 4.6743E+00 H2 558 1.008000 0.423800 7.6014E+00 7.8289E-01 3.1815E+00 O6 559 15.999400 -0.847600 -3.3920E-01 -1.2692E+01 1.2063E+00 H1 560 1.008000 0.423800 -6.3716E-01 -1.1881E+01 1.7098E+00 H2 561 1.008000 0.423800 -1.0160E+00 -1.3420E+01 1.3164E+00 O6 562 15.999400 -0.847600 -1.0600E+01 3.5535E+00 1.2301E+01 H1 563 1.008000 0.423800 -1.1289E+01 3.8640E+00 1.2956E+01 H2 564 1.008000 0.423800 -1.0155E+01 2.7292E+00 1.2652E+01 O6 565 15.999400 -0.847600 -1.6814E+01 7.6197E+00 -1.6960E+01 H1 566 1.008000 0.423800 -1.5951E+01 7.2213E+00 -1.6650E+01 H2 567 1.008000 0.423800 -1.7574E+01 7.0418E+00 -1.6662E+01 O6 568 15.999400 -0.847600 2.6905E+00 -1.0525E+01 -9.8761E+00 H1 569 1.008000 0.423800 3.5249E+00 -1.0562E+01 -9.3261E+00 H2 570 1.008000 0.423800 2.1377E+00 -9.7421E+00 -9.5905E+00 O6 571 15.999400 -0.847600 1.8285E+01 -1.9286E+01 3.1940E+00 H1 572 1.008000 0.423800 1.7675E+01 1.9041E+01 3.0112E+00 H2 573 1.008000 0.423800 1.8591E+01 -1.9321E+01 4.1452E+00 O6 574 15.999400 -0.847600 7.1634E+00 1.0858E+01 9.0246E+00 H1 575 1.008000 0.423800 7.7204E+00 1.0322E+01 9.6595E+00 H2 576 1.008000 0.423800 6.9653E+00 1.0310E+01 8.2116E+00 O6 577 15.999400 -0.847600 5.6131E+00 2.3521E+00 1.2127E+01 H1 578 1.008000 0.423800 4.7835E+00 2.0503E+00 1.2597E+01 H2 579 1.008000 0.423800 6.0318E+00 3.1023E+00 1.2639E+01 O6 580 15.999400 -0.847600 -1.3925E+01 -1.6729E+01 1.6617E+01 H1 581 1.008000 0.423800 -1.3822E+01 -1.7676E+01 1.6919E+01 H2 582 1.008000 0.423800 -1.3023E+01 -1.6306E+01 1.6531E+01 O6 583 15.999400 -0.847600 1.6186E+01 -1.3220E+01 1.1749E+01 H1 584 1.008000 0.423800 1.5257E+01 -1.3397E+01 1.2073E+01 H2 585 1.008000 0.423800 1.6509E+01 -1.2349E+01 1.2120E+01 O6 586 15.999400 -0.847600 -1.2632E+01 1.7108E+01 1.3114E+00 H1 587 1.008000 0.423800 -1.2437E+01 1.8086E+01 1.2309E+00 H2 588 1.008000 0.423800 -1.2231E+01 1.6757E+01 2.1576E+00 O6 589 15.999400 -0.847600 1.7769E+01 6.8313E+00 -1.1915E+01 H1 590 1.008000 0.423800 1.7394E+01 6.5201E+00 -1.1042E+01 H2 591 1.008000 0.423800 1.8341E+01 7.6380E+00 -1.1764E+01 O6 592 15.999400 -0.847600 -5.0599E+00 1.1277E+01 9.6848E+00 H1 593 1.008000 0.423800 -5.4082E+00 1.1733E+01 1.0503E+01 H2 594 1.008000 0.423800 -4.4811E+00 1.1909E+01 9.1706E+00 O6 595 15.999400 -0.847600 7.2977E+00 8.3530E+00 -1.6431E+01 H1 596 1.008000 0.423800 6.3819E+00 8.7209E+00 -1.6593E+01 H2 597 1.008000 0.423800 7.2248E+00 7.4200E+00 -1.6079E+01 O6 598 15.999400 -0.847600 2.5906E+00 -1.7495E+01 -8.5986E+00 H1 599 1.008000 0.423800 3.1978E+00 -1.6874E+01 -8.1026E+00 H2 600 1.008000 0.423800 2.4176E+00 -1.7132E+01 -9.5139E+00 O6 601 15.999400 -0.847600 -1.0006E+01 1.2957E+01 1.3543E+00 H1 602 1.008000 0.423800 -1.0947E+01 1.3261E+01 1.5026E+00 H2 603 1.008000 0.423800 -1.0002E+01 1.1982E+01 1.1330E+00 O6 604 15.999400 -0.847600 1.3050E+01 6.4911E+00 -1.1621E+01 H1 605 1.008000 0.423800 1.3699E+01 5.8722E+00 -1.1179E+01 H2 606 1.008000 0.423800 1.2227E+01 6.5678E+00 -1.1059E+01 O6 607 15.999400 -0.847600 7.2705E+00 1.9394E+01 1.6825E+01 H1 608 1.008000 0.423800 6.4310E+00 1.9086E+01 1.7273E+01 H2 609 1.008000 0.423800 7.8588E+00 -1.9251E+01 1.7495E+01 O6 610 15.999400 -0.847600 1.8302E+01 -9.0149E+00 -1.4143E+01 H1 611 1.008000 0.423800 1.8147E+01 -9.2767E+00 -1.3190E+01 H2 612 1.008000 0.423800 1.9111E+01 -9.4887E+00 -1.4491E+01 O6 613 15.999400 -0.847600 2.3475E+00 1.6651E+01 -9.1833E+00 H1 614 1.008000 0.423800 3.0117E+00 1.5905E+01 -9.1292E+00 H2 615 1.008000 0.423800 1.4233E+00 1.6271E+01 -9.2268E+00 O6 616 15.999400 -0.847600 1.4740E+00 -3.9091E+00 -1.0544E+01 H1 617 1.008000 0.423800 1.4759E+00 -4.3313E+00 -9.6378E+00 H2 618 1.008000 0.423800 5.7483E-01 -4.0282E+00 -1.0965E+01 O6 619 15.999400 -0.847600 -1.0411E+01 -5.1572E+00 -1.7497E+00 H1 620 1.008000 0.423800 -9.9054E+00 -5.9634E+00 -1.4431E+00 H2 621 1.008000 0.423800 -1.1353E+01 -5.2091E+00 -1.4184E+00 O6 622 15.999400 -0.847600 1.1027E+01 1.2420E+00 -1.8183E+01 H1 623 1.008000 0.423800 1.0687E+01 8.2705E-01 -1.7339E+01 H2 624 1.008000 0.423800 1.0255E+01 1.5876E+00 -1.8718E+01 O6 625 15.999400 -0.847600 1.5040E+01 1.6020E+01 2.1522E+00 H1 626 1.008000 0.423800 1.5600E+01 1.6438E+01 1.4375E+00 H2 627 1.008000 0.423800 1.5618E+01 1.5455E+01 2.7410E+00 O6 628 15.999400 -0.847600 1.2051E+01 1.7360E+01 -9.9142E+00 H1 629 1.008000 0.423800 1.1091E+01 1.7463E+01 -1.0175E+01 H2 630 1.008000 0.423800 1.2585E+01 1.8107E+01 -1.0310E+01 O6 631 15.999400 -0.847600 4.9325E+00 -1.1552E+00 1.8763E+01 H1 632 1.008000 0.423800 4.0735E+00 -1.5302E+00 1.8414E+01 H2 633 1.008000 0.423800 4.7514E+00 -2.9528E-01 1.9240E+01 O6 634 15.999400 -0.847600 -1.5468E+01 -2.8492E+00 -6.4611E+00 H1 635 1.008000 0.423800 -1.5202E+01 -2.4208E+00 -5.5976E+00 H2 636 1.008000 0.423800 -1.6400E+01 -3.2040E+00 -6.3838E+00 O6 637 15.999400 -0.847600 -1.9253E+01 1.7037E+01 -1.0192E+01 H1 638 1.008000 0.423800 -1.9017E+01 1.6670E+01 -1.1092E+01 H2 639 1.008000 0.423800 -1.8624E+01 1.6671E+01 -9.5071E+00 O6 640 15.999400 -0.847600 -1.7757E+01 6.4706E+00 1.3224E+01 H1 641 1.008000 0.423800 -1.7647E+01 7.3045E+00 1.2683E+01 H2 642 1.008000 0.423800 -1.7162E+01 6.5130E+00 1.4026E+01 O6 643 15.999400 -0.847600 -9.4975E+00 8.7103E+00 5.2911E+00 H1 644 1.008000 0.423800 -8.8228E+00 8.8033E+00 6.0234E+00 H2 645 1.008000 0.423800 -1.0262E+01 9.3325E+00 5.4609E+00 O6 646 15.999400 -0.847600 1.3316E+01 -1.4727E+01 -1.0209E+01 H1 647 1.008000 0.423800 1.2585E+01 -1.4992E+01 -9.5803E+00 H2 648 1.008000 0.423800 1.3845E+01 -1.5537E+01 -1.0464E+01 O6 649 15.999400 -0.847600 2.7094E+00 -6.7964E+00 -8.0367E+00 H1 650 1.008000 0.423800 2.1132E+00 -5.9938E+00 -8.0199E+00 H2 651 1.008000 0.423800 3.2499E+00 -6.7926E+00 -8.8780E+00 O6 652 15.999400 -0.847600 1.2689E+01 1.1679E+01 3.4457E+00 H1 653 1.008000 0.423800 1.1974E+01 1.1978E+01 2.8142E+00 H2 654 1.008000 0.423800 1.3222E+01 1.0946E+01 3.0233E+00 O6 655 15.999400 -0.847600 1.2286E+01 1.6292E+01 7.7879E+00 H1 656 1.008000 0.423800 1.1927E+01 1.5388E+01 7.5582E+00 H2 657 1.008000 0.423800 1.3284E+01 1.6279E+01 7.7308E+00 O6 658 15.999400 -0.847600 5.1226E+00 7.9969E+00 1.8907E+01 H1 659 1.008000 0.423800 4.3735E+00 8.0392E+00 -1.9529E+01 H2 660 1.008000 0.423800 5.4092E+00 8.9248E+00 1.8668E+01 O6 661 15.999400 -0.847600 7.9775E-01 1.8609E+01 -1.0648E+01 H1 662 1.008000 0.423800 1.0639E-01 1.8975E+01 -1.0025E+01 H2 663 1.008000 0.423800 1.4756E+00 1.8091E+01 -1.0126E+01 O6 664 15.999400 -0.847600 1.8742E+01 -1.4703E+01 -8.4170E+00 H1 665 1.008000 0.423800 1.9097E+01 -1.5151E+01 -9.2376E+00 H2 666 1.008000 0.423800 1.8130E+01 -1.3958E+01 -8.6823E+00 O6 667 15.999400 -0.847600 1.2257E+01 -1.5101E+01 1.8062E+01 H1 668 1.008000 0.423800 1.2616E+01 -1.4216E+01 1.7765E+01 H2 669 1.008000 0.423800 1.1776E+01 -1.4991E+01 1.8932E+01 O6 670 15.999400 -0.847600 -1.4541E+01 -1.7310E+01 -1.3018E+01 H1 671 1.008000 0.423800 -1.5209E+01 -1.6784E+01 -1.3545E+01 H2 672 1.008000 0.423800 -1.3628E+01 -1.7170E+01 -1.3402E+01 O6 673 15.999400 -0.847600 -8.3750E+00 1.1082E+01 1.1231E+01 H1 674 1.008000 0.423800 -8.8702E+00 1.1259E+01 1.0381E+01 H2 675 1.008000 0.423800 -8.1746E+00 1.1948E+01 1.1687E+01 O6 676 15.999400 -0.847600 1.1937E+01 6.1003E+00 -9.0812E-02 H1 677 1.008000 0.423800 1.2825E+01 5.8146E+00 -4.4945E-01 H2 678 1.008000 0.423800 1.1866E+01 7.0970E+00 -1.3066E-01 O6 679 15.999400 -0.847600 1.3252E+01 -2.8014E+00 6.6997E+00 H1 680 1.008000 0.423800 1.3121E+01 -3.6521E+00 7.2088E+00 H2 681 1.008000 0.423800 1.2856E+01 -2.0408E+00 7.2143E+00 O6 682 15.999400 -0.847600 -6.4761E+00 -1.2275E+01 1.5029E+01 H1 683 1.008000 0.423800 -6.1908E+00 -1.1988E+01 1.5943E+01 H2 684 1.008000 0.423800 -7.2715E+00 -1.1740E+01 1.4744E+01 O6 685 15.999400 -0.847600 -5.8909E+00 6.4195E+00 5.1997E+00 H1 686 1.008000 0.423800 -6.3611E+00 7.3002E+00 5.1422E+00 H2 687 1.008000 0.423800 -5.6035E+00 6.2562E+00 6.1435E+00 O6 688 15.999400 -0.847600 -6.3873E+00 -1.7800E+01 1.9348E+01 H1 689 1.008000 0.423800 -6.0279E+00 -1.6868E+01 1.9307E+01 H2 690 1.008000 0.423800 -7.2136E+00 -1.7864E+01 1.8789E+01 O6 691 15.999400 -0.847600 -7.6406E+00 6.3470E-01 1.6824E+01 H1 692 1.008000 0.423800 -7.4843E+00 1.4770E+00 1.7340E+01 H2 693 1.008000 0.423800 -8.6159E+00 5.4299E-01 1.6623E+01 O6 694 15.999400 -0.847600 4.0524E-01 5.3227E+00 4.3771E+00 H1 695 1.008000 0.423800 8.6556E-01 4.4357E+00 4.3397E+00 H2 696 1.008000 0.423800 -4.6390E-01 5.2681E+00 3.8856E+00 O6 697 15.999400 -0.847600 5.4230E+00 1.0709E+01 1.8280E+01 H1 698 1.008000 0.423800 6.0255E+00 1.1374E+01 1.7837E+01 H2 699 1.008000 0.423800 4.4803E+00 1.0867E+01 1.7986E+01 O6 700 15.999400 -0.847600 1.3846E+01 -8.9090E+00 1.4642E+01 H1 701 1.008000 0.423800 1.3898E+01 -8.6891E+00 1.3668E+01 H2 702 1.008000 0.423800 1.4015E+01 -8.0830E+00 1.5180E+01 O6 703 15.999400 -0.847600 1.5877E+01 1.9091E+01 -5.0184E+00 H1 704 1.008000 0.423800 1.6834E+01 1.9316E+01 -4.8359E+00 H2 705 1.008000 0.423800 1.5827E+01 1.8424E+01 -5.7614E+00 O6 706 15.999400 -0.847600 -8.7927E+00 6.1144E+00 5.3232E+00 H1 707 1.008000 0.423800 -8.9320E+00 6.2006E+00 6.3097E+00 H2 708 1.008000 0.423800 -8.0672E+00 5.4495E+00 5.1459E+00 O6 709 15.999400 -0.847600 -1.8631E+01 1.6263E+01 1.0828E+01 H1 710 1.008000 0.423800 -1.9192E+01 1.6435E+01 1.1638E+01 H2 711 1.008000 0.423800 -1.8192E+01 1.7115E+01 1.0541E+01 O6 712 15.999400 -0.847600 -1.8125E+01 -8.3378E+00 -1.1004E+01 H1 713 1.008000 0.423800 -1.8126E+01 -8.1019E+00 -1.0032E+01 H2 714 1.008000 0.423800 -1.8776E+01 -9.0787E+00 -1.1168E+01 O6 715 15.999400 -0.847600 9.1079E+00 1.9246E+01 1.0266E+01 H1 716 1.008000 0.423800 9.3266E+00 -1.8887E+01 1.0416E+01 H2 717 1.008000 0.423800 8.4291E+00 1.8950E+01 1.0938E+01 O6 718 15.999400 -0.847600 7.9314E-01 1.5450E+01 7.1864E-02 H1 719 1.008000 0.423800 3.5622E-01 1.6118E+01 -5.3047E-01 H2 720 1.008000 0.423800 1.5769E+00 1.5042E+01 -3.9615E-01 O6 721 15.999400 -0.847600 -9.4016E+00 -1.4645E+01 3.2135E+00 H1 722 1.008000 0.423800 -8.6824E+00 -1.4126E+01 3.6754E+00 H2 723 1.008000 0.423800 -9.7645E+00 -1.5338E+01 3.8360E+00 O6 724 15.999400 -0.847600 -7.2534E+00 9.9063E+00 -4.4850E+00 H1 725 1.008000 0.423800 -6.7749E+00 9.6792E+00 -5.3332E+00 H2 726 1.008000 0.423800 -8.1710E+00 9.5091E+00 -4.5035E+00 O6 727 15.999400 -0.847600 -5.7203E+00 6.2556E+00 -1.7127E+01 H1 728 1.008000 0.423800 -4.8743E+00 5.8546E+00 -1.6775E+01 H2 729 1.008000 0.423800 -5.9110E+00 7.1093E+00 -1.6642E+01 O6 730 15.999400 -0.847600 -1.5313E+01 1.6957E+01 1.4612E+01 H1 731 1.008000 0.423800 -1.6231E+01 1.7225E+01 1.4906E+01 H2 732 1.008000 0.423800 -1.5362E+01 1.6092E+01 1.4113E+01 O6 733 15.999400 -0.847600 1.8696E+01 -1.8225E+01 -1.5464E+01 H1 734 1.008000 0.423800 1.8336E+01 -1.8345E+01 -1.6389E+01 H2 735 1.008000 0.423800 1.9157E+01 -1.7340E+01 -1.5397E+01 O6 736 15.999400 -0.847600 1.5398E+01 -1.4855E+01 1.8288E+01 H1 737 1.008000 0.423800 1.4707E+01 -1.4591E+01 1.7614E+01 H2 738 1.008000 0.423800 1.5111E+01 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1.008000 0.423800 3.7802E+00 9.4466E+00 -9.2125E+00 H2 789 1.008000 0.423800 4.7311E+00 8.5333E+00 -1.0176E+01 O6 790 15.999400 -0.847600 -1.5775E+00 1.6562E+01 -1.4000E+01 H1 791 1.008000 0.423800 -6.4091E-01 1.6912E+01 -1.3982E+01 H2 792 1.008000 0.423800 -1.7920E+00 1.6232E+01 -1.4920E+01 O6 793 15.999400 -0.847600 6.6661E+00 -6.2531E+00 1.8787E+01 H1 794 1.008000 0.423800 7.4282E+00 -5.6335E+00 1.8599E+01 H2 795 1.008000 0.423800 6.1861E+00 -5.9503E+00 -1.9487E+01 O6 796 15.999400 -0.847600 2.6901E+00 -1.6852E+01 7.6510E+00 H1 797 1.008000 0.423800 3.6732E+00 -1.6952E+01 7.4975E+00 H2 798 1.008000 0.423800 2.2201E+00 -1.6789E+01 6.7707E+00 O6 799 15.999400 -0.847600 1.7923E+01 -1.4823E+01 1.6687E+01 H1 800 1.008000 0.423800 1.7573E+01 -1.4769E+01 1.5752E+01 H2 801 1.008000 0.423800 1.7157E+01 -1.4819E+01 1.7330E+01 O6 802 15.999400 -0.847600 1.4766E+01 3.1968E+00 1.7423E+01 H1 803 1.008000 0.423800 1.4918E+01 2.2096E+00 1.7472E+01 H2 804 1.008000 0.423800 1.4500E+01 3.5383E+00 1.8324E+01 O6 805 15.999400 -0.847600 1.9332E+01 -1.0622E+01 1.2229E+01 H1 806 1.008000 0.423800 -1.8791E+01 -1.0785E+01 1.2383E+01 H2 807 1.008000 0.423800 1.9162E+01 -9.6379E+00 1.2182E+01 O6 808 15.999400 -0.847600 1.6932E+01 -7.0389E-01 -4.4303E+00 H1 809 1.008000 0.423800 1.6502E+01 1.3426E-01 -4.0950E+00 H2 810 1.008000 0.423800 1.7863E+01 -5.0181E-01 -4.7349E+00 O6 811 15.999400 -0.847600 -6.8138E+00 1.3108E+01 -1.0049E+01 H1 812 1.008000 0.423800 -7.3768E+00 1.3792E+01 -9.5843E+00 H2 813 1.008000 0.423800 -7.3757E+00 1.2313E+01 -1.0277E+01 O6 814 15.999400 -0.847600 -1.3394E+01 -1.7669E+01 2.7529E+00 H1 815 1.008000 0.423800 -1.4284E+01 -1.7287E+01 2.5020E+00 H2 816 1.008000 0.423800 -1.2826E+01 -1.7755E+01 1.9346E+00 O6 817 15.999400 -0.847600 -1.3877E+01 8.0987E+00 9.1882E+00 H1 818 1.008000 0.423800 -1.4875E+01 8.1573E+00 9.2075E+00 H2 819 1.008000 0.423800 -1.3574E+01 7.3667E+00 9.7984E+00 O6 820 15.999400 -0.847600 1.6507E+01 3.1084E+00 7.2515E+00 H1 821 1.008000 0.423800 1.7095E+01 2.3350E+00 7.4890E+00 H2 822 1.008000 0.423800 1.7018E+01 3.7536E+00 6.6837E+00 O6 823 15.999400 -0.847600 1.3359E+00 -1.2912E+01 1.8455E+01 H1 824 1.008000 0.423800 1.7498E+00 -1.3421E+01 1.7700E+01 H2 825 1.008000 0.423800 8.8325E-01 -1.3550E+01 1.9078E+01 O6 826 15.999400 -0.847600 -2.6698E+00 -4.8063E+00 2.1850E+00 H1 827 1.008000 0.423800 -2.7379E+00 -4.8162E+00 3.1826E+00 H2 828 1.008000 0.423800 -3.1977E+00 -5.5669E+00 1.8073E+00 O6 829 15.999400 -0.847600 -1.4986E+01 6.2702E+00 1.9167E+01 H1 830 1.008000 0.423800 -1.4651E+01 7.0859E+00 1.8695E+01 H2 831 1.008000 0.423800 -1.4435E+01 5.4800E+00 1.8898E+01 O6 832 15.999400 -0.847600 1.2007E+01 -3.9246E+00 -2.1446E+00 H1 833 1.008000 0.423800 1.2551E+01 -4.7615E+00 -2.2126E+00 H2 834 1.008000 0.423800 1.1351E+01 -4.0133E+00 -1.3955E+00 O6 835 15.999400 -0.847600 1.4095E+01 -3.3000E-01 1.2410E+01 H1 836 1.008000 0.423800 1.4956E+01 1.1943E-01 1.2650E+01 H2 837 1.008000 0.423800 1.3329E+01 2.6492E-01 1.2654E+01 O6 838 15.999400 -0.847600 -1.0424E+00 1.4618E+01 7.9406E+00 H1 839 1.008000 0.423800 -1.9441E-01 1.4105E+01 7.8069E+00 H2 840 1.008000 0.423800 -1.4524E+00 1.4822E+01 7.0516E+00 O6 841 15.999400 -0.847600 -1.3381E+01 8.0331E+00 -1.0119E+01 H1 842 1.008000 0.423800 -1.2925E+01 7.3483E+00 -1.0687E+01 H2 843 1.008000 0.423800 -1.2935E+01 8.0752E+00 -9.2253E+00 O6 844 15.999400 -0.847600 1.0282E+00 -1.6656E+01 1.2464E+01 H1 845 1.008000 0.423800 8.8159E-01 -1.7482E+01 1.3009E+01 H2 846 1.008000 0.423800 1.5686E+00 -1.6000E+01 1.2992E+01 O6 847 15.999400 -0.847600 5.9120E+00 -9.0255E+00 1.1937E+01 H1 848 1.008000 0.423800 6.0048E+00 -8.0593E+00 1.2178E+01 H2 849 1.008000 0.423800 6.8149E+00 -9.4086E+00 1.1742E+01 O6 850 15.999400 -0.847600 -1.7199E+00 1.7329E+01 6.2661E-01 H1 851 1.008000 0.423800 -9.7894E-01 1.7522E+01 -1.6676E-02 H2 852 1.008000 0.423800 -2.5538E+00 1.7789E+01 3.2221E-01 O6 853 15.999400 -0.847600 1.6518E+01 -9.1031E-01 6.9477E+00 H1 854 1.008000 0.423800 1.6733E+01 -1.8310E+00 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2.5654E+00 H2 888 1.008000 0.423800 -1.3834E+01 -1.2893E+01 2.7415E+00 O6 889 15.999400 -0.847600 4.8227E+00 -1.9425E+01 1.0118E+01 H1 890 1.008000 0.423800 4.4790E+00 -1.8988E+01 1.0949E+01 H2 891 1.008000 0.423800 5.2270E+00 -1.8732E+01 9.5208E+00 O6 892 15.999400 -0.847600 1.8799E+00 1.5433E+01 1.5168E+01 H1 893 1.008000 0.423800 2.7239E+00 1.5629E+01 1.5668E+01 H2 894 1.008000 0.423800 1.1872E+00 1.6114E+01 1.5405E+01 O6 895 15.999400 -0.847600 1.4411E+01 -1.1505E+01 6.7228E+00 H1 896 1.008000 0.423800 1.3515E+01 -1.1062E+01 6.7214E+00 H2 897 1.008000 0.423800 1.4597E+01 -1.1883E+01 5.8161E+00 O6 898 15.999400 -0.847600 -6.0473E-01 -1.4384E+01 8.2931E+00 H1 899 1.008000 0.423800 -1.0033E+00 -1.5172E+01 7.8231E+00 H2 900 1.008000 0.423800 -3.2517E-01 -1.4653E+01 9.2149E+00 O6 901 15.999400 -0.847600 -1.0407E+01 1.4223E+01 1.6778E+01 H1 902 1.008000 0.423800 -9.7172E+00 1.3703E+01 1.7281E+01 H2 903 1.008000 0.423800 -1.0169E+01 1.4241E+01 1.5807E+01 O6 904 15.999400 -0.847600 -4.0519E+00 1.7245E+01 -1.1524E+01 H1 905 1.008000 0.423800 -3.4634E+00 1.7600E+01 -1.0798E+01 H2 906 1.008000 0.423800 -4.7650E+00 1.7915E+01 -1.1732E+01 O6 907 15.999400 -0.847600 -1.6554E+00 1.1720E+01 1.8224E+01 H1 908 1.008000 0.423800 -1.1349E+00 1.1828E+01 1.7377E+01 H2 909 1.008000 0.423800 -1.3581E+00 1.2407E+01 1.8888E+01 O6 910 15.999400 -0.847600 -6.3452E+00 -1.0196E+01 2.8262E+00 H1 911 1.008000 0.423800 -5.4123E+00 -1.0130E+01 2.4721E+00 H2 912 1.008000 0.423800 -6.3355E+00 -1.0675E+01 3.7039E+00 O6 913 15.999400 -0.847600 -1.7842E+01 1.0932E+00 -7.8015E+00 H1 914 1.008000 0.423800 -1.6906E+01 8.5852E-01 -8.0606E+00 H2 915 1.008000 0.423800 -1.7844E+01 1.9637E+00 -7.3095E+00 O6 916 15.999400 -0.847600 1.4415E+01 1.9279E+01 -1.4180E+01 H1 917 1.008000 0.423800 1.3449E+01 1.9107E+01 -1.4368E+01 H2 918 1.008000 0.423800 1.4955E+01 1.9076E+01 -1.4996E+01 O6 919 15.999400 -0.847600 1.2255E+00 -2.8379E+00 -1.6879E+01 H1 920 1.008000 0.423800 1.3209E+00 -3.5160E+00 -1.6150E+01 H2 921 1.008000 0.423800 7.8741E-01 -3.2606E+00 -1.7672E+01 O6 922 15.999400 -0.847600 -1.3007E+00 -1.9224E+01 -1.6695E+01 H1 923 1.008000 0.423800 -1.7280E+00 1.9043E+01 -1.6338E+01 H2 924 1.008000 0.423800 -3.9461E-01 -1.9113E+01 -1.6287E+01 O6 925 15.999400 -0.847600 4.5608E+00 9.4854E+00 5.6155E+00 H1 926 1.008000 0.423800 4.8806E+00 9.5863E+00 4.6733E+00 H2 927 1.008000 0.423800 5.3221E+00 9.6427E+00 6.2445E+00 O6 928 15.999400 -0.847600 1.5030E+00 7.0657E+00 2.4573E+00 H1 929 1.008000 0.423800 1.0626E+00 6.5805E+00 3.2128E+00 H2 930 1.008000 0.423800 1.4279E+00 8.0518E+00 2.6057E+00 O6 931 15.999400 -0.847600 -1.6130E+01 6.1416E+00 6.8634E+00 H1 932 1.008000 0.423800 -1.5980E+01 6.8157E+00 6.1401E+00 H2 933 1.008000 0.423800 -1.6141E+01 6.6022E+00 7.7510E+00 O6 934 15.999400 -0.847600 2.5690E+00 9.7470E+00 8.4402E+00 H1 935 1.008000 0.423800 2.4403E+00 9.6489E+00 9.4270E+00 H2 936 1.008000 0.423800 2.7853E+00 8.8556E+00 8.0420E+00 O6 937 15.999400 -0.847600 3.4770E+00 -1.0700E+01 -4.8084E+00 H1 938 1.008000 0.423800 3.8520E+00 -1.1482E+01 -4.3098E+00 H2 939 1.008000 0.423800 3.8483E+00 -9.8534E+00 -4.4283E+00 O6 940 15.999400 -0.847600 8.0064E-01 3.2552E+00 -1.9370E+01 H1 941 1.008000 0.423800 5.1357E-03 3.6149E+00 1.9240E+01 H2 942 1.008000 0.423800 1.6164E+00 3.7667E+00 1.9458E+01 O6 943 15.999400 -0.847600 -1.6164E-02 -1.5568E+00 9.5419E+00 H1 944 1.008000 0.423800 -6.3176E-01 -2.0813E+00 8.9537E+00 H2 945 1.008000 0.423800 8.0108E-01 -1.3013E+00 9.0254E+00 O6 946 15.999400 -0.847600 -3.3335E+00 -1.1939E-01 -9.6564E+00 H1 947 1.008000 0.423800 -3.1717E+00 -1.0958E+00 -9.5133E+00 H2 948 1.008000 0.423800 -2.7441E+00 4.0910E-01 -9.0454E+00 O6 949 15.999400 -0.847600 1.7601E+01 -8.9538E+00 1.0886E+00 H1 950 1.008000 0.423800 1.8188E+01 -9.2257E+00 3.2594E-01 H2 951 1.008000 0.423800 1.7954E+01 -8.1117E+00 1.4967E+00 O6 952 15.999400 -0.847600 1.0413E+01 1.7160E+01 -5.5440E+00 H1 953 1.008000 0.423800 1.0146E+01 1.7419E+01 -6.4724E+00 H2 954 1.008000 0.423800 1.0710E+01 1.7973E+01 -5.0434E+00 O6 955 15.999400 -0.847600 9.0576E+00 -6.7544E+00 -2.5353E+00 H1 956 1.008000 0.423800 9.4814E+00 -6.8885E+00 -3.4311E+00 H2 957 1.008000 0.423800 9.2550E+00 -7.5423E+00 -1.9520E+00 O6 958 15.999400 -0.847600 -8.2836E+00 -8.0673E+00 -3.5100E+00 H1 959 1.008000 0.423800 -9.1790E+00 -8.4866E+00 -3.3601E+00 H2 960 1.008000 0.423800 -7.6570E+00 -8.7470E+00 -3.8913E+00 O6 961 15.999400 -0.847600 1.1328E+01 -1.2957E+01 -2.2933E+00 H1 962 1.008000 0.423800 1.1742E+01 -1.2643E+01 -3.1474E+00 H2 963 1.008000 0.423800 1.1979E+01 -1.3533E+01 -1.7995E+00 O6 964 15.999400 -0.847600 1.3367E+01 1.7990E+00 9.9960E+00 H1 965 1.008000 0.423800 1.3989E+01 1.6820E+00 1.0771E+01 H2 966 1.008000 0.423800 1.3317E+01 9.4553E-01 9.4774E+00 O6 967 15.999400 -0.847600 -1.5822E+01 -5.5433E+00 9.8647E+00 H1 968 1.008000 0.423800 -1.5969E+01 -4.9846E+00 9.0484E+00 H2 969 1.008000 0.423800 -1.6127E+01 -6.4789E+00 9.6876E+00 O6 970 15.999400 -0.847600 1.7599E+01 9.6220E+00 3.6815E+00 H1 971 1.008000 0.423800 1.8147E+01 9.4613E+00 2.8607E+00 H2 972 1.008000 0.423800 1.6792E+01 9.0321E+00 3.6639E+00 O6 973 15.999400 -0.847600 -6.2322E+00 -1.4402E+01 -1.5795E+01 H1 974 1.008000 0.423800 -5.4660E+00 -1.4376E+01 -1.6437E+01 H2 975 1.008000 0.423800 -6.6643E+00 -1.5303E+01 -1.5829E+01 O6 976 15.999400 -0.847600 3.8009E+00 -1.8954E+01 -2.9291E+00 H1 977 1.008000 0.423800 3.3371E+00 -1.8374E+01 -3.5987E+00 H2 978 1.008000 0.423800 3.4641E+00 1.9206E+01 -3.0110E+00 O6 979 15.999400 -0.847600 1.9423E+00 -4.4746E+00 -1.4544E+01 H1 980 1.008000 0.423800 9.8608E-01 -4.6183E+00 -1.4289E+01 H2 981 1.008000 0.423800 2.4362E+00 -4.0733E+00 -1.3772E+01 O6 982 15.999400 -0.847600 -1.5293E+01 3.8176E+00 1.3756E+01 H1 983 1.008000 0.423800 -1.4297E+01 3.8394E+00 1.3671E+01 H2 984 1.008000 0.423800 -1.5704E+01 4.3036E+00 1.2984E+01 O6 985 15.999400 -0.847600 -7.1562E-01 -6.0465E+00 6.5326E+00 H1 986 1.008000 0.423800 5.2656E-02 -6.0501E+00 5.8925E+00 H2 987 1.008000 0.423800 -1.0969E+00 -6.9685E+00 6.6008E+00 O6 988 15.999400 -0.847600 7.3013E+00 7.2070E+00 9.7508E+00 H1 989 1.008000 0.423800 7.6749E+00 6.4831E+00 9.1706E+00 H2 990 1.008000 0.423800 6.3057E+00 7.2266E+00 9.6595E+00 O6 991 15.999400 -0.847600 -1.1224E+01 -3.5689E+00 -4.2840E+00 H1 992 1.008000 0.423800 -1.0557E+01 -3.8535E+00 -3.5960E+00 H2 993 1.008000 0.423800 -1.1370E+01 -4.3139E+00 -4.9349E+00 O6 994 15.999400 -0.847600 1.6738E+01 3.7448E+00 -4.8667E+00 H1 995 1.008000 0.423800 1.6379E+01 2.8556E+00 -4.5835E+00 H2 996 1.008000 0.423800 1.6291E+01 4.4680E+00 -4.3408E+00 O6 997 15.999400 -0.847600 9.3954E+00 -1.4305E+01 5.1423E+00 H1 998 1.008000 0.423800 8.7315E+00 -1.4825E+01 4.6057E+00 H2 999 1.008000 0.423800 1.0242E+01 -1.4206E+01 4.6198E+00 O6 1000 15.999400 -0.847600 3.4119E+00 -5.9713E+00 1.3099E+01 H1 1001 1.008000 0.423800 4.3493E+00 -6.0464E+00 1.2759E+01 H2 1002 1.008000 0.423800 3.1897E+00 -5.0087E+00 1.3254E+01 O6 1003 15.999400 -0.847600 -6.8174E+00 1.6177E+01 -3.5066E-02 H1 1004 1.008000 0.423800 -6.0634E+00 1.5521E+01 -5.2966E-02 H2 1005 1.008000 0.423800 -7.6782E+00 1.5692E+01 1.1898E-01 O6 1006 15.999400 -0.847600 -5.5409E+00 -5.7501E+00 1.1361E+01 H1 1007 1.008000 0.423800 -6.0285E+00 -4.9501E+00 1.1011E+01 H2 1008 1.008000 0.423800 -4.6101E+00 -5.7591E+00 1.0996E+01 O6 1009 15.999400 -0.847600 3.4128E+00 1.4572E+01 -1.6467E+01 H1 1010 1.008000 0.423800 2.6915E+00 1.5250E+01 -1.6607E+01 H2 1011 1.008000 0.423800 4.2991E+00 1.5032E+01 -1.6421E+01 O6 1012 15.999400 -0.847600 1.1002E+01 1.3113E-02 4.4233E+00 H1 1013 1.008000 0.423800 1.0351E+01 6.8710E-01 4.0732E+00 H2 1014 1.008000 0.423800 1.1836E+01 3.7248E-02 3.8719E+00 O6 1015 15.999400 -0.847600 3.5683E+00 1.2233E+01 -9.5218E+00 H1 1016 1.008000 0.423800 3.6243E+00 1.1242E+01 -9.6473E+00 H2 1017 1.008000 0.423800 4.4874E+00 1.2625E+01 -9.5543E+00 O6 1018 15.999400 -0.847600 1.6000E+01 -5.1209E+00 -7.8067E+00 H1 1019 1.008000 0.423800 1.6075E+01 -4.7085E+00 -8.7146E+00 H2 1020 1.008000 0.423800 1.6114E+01 -4.4137E+00 -7.1089E+00 O6 1021 15.999400 -0.847600 1.7654E+01 -1.7996E+01 -9.3950E+00 H1 1022 1.008000 0.423800 1.7446E+01 -1.8948E+01 -9.6199E+00 H2 1023 1.008000 0.423800 1.8620E+01 -1.7814E+01 -9.5787E+00 O6 1024 15.999400 -0.847600 -1.3976E+01 -4.5118E-01 -1.2886E+01 H1 1025 1.008000 0.423800 -1.4748E+01 -7.1602E-02 -1.3396E+01 H2 1026 1.008000 0.423800 -1.3260E+01 -7.3023E-01 -1.3526E+01 O6 1027 15.999400 -0.847600 1.3681E+01 1.3601E+00 -1.8328E+01 H1 1028 1.008000 0.423800 1.4257E+01 1.0471E+00 -1.7573E+01 H2 1029 1.008000 0.423800 1.2719E+01 1.2235E+00 -1.8092E+01 O6 1030 15.999400 -0.847600 -1.0180E+01 1.5084E+01 1.2005E+01 H1 1031 1.008000 0.423800 -1.0521E+01 1.4966E+01 1.1072E+01 H2 1032 1.008000 0.423800 -1.0944E+01 1.5037E+01 1.2647E+01 O6 1033 15.999400 -0.847600 -5.7577E+00 1.1050E+01 6.0470E+00 H1 1034 1.008000 0.423800 -6.0271E+00 1.1825E+01 5.4749E+00 H2 1035 1.008000 0.423800 -4.7756E+00 1.1096E+01 6.2295E+00 O6 1036 15.999400 -0.847600 1.7425E+01 4.8298E+00 -1.5702E+01 H1 1037 1.008000 0.423800 1.7025E+01 5.6674E+00 -1.5330E+01 H2 1038 1.008000 0.423800 1.7355E+01 4.0977E+00 -1.5024E+01 O6 1039 15.999400 -0.847600 -1.5808E+01 1.4897E+01 -1.4979E+01 H1 1040 1.008000 0.423800 -1.5021E+01 1.5496E+01 -1.4835E+01 H2 1041 1.008000 0.423800 -1.5654E+01 1.4335E+01 -1.5792E+01 O6 1042 15.999400 -0.847600 -1.2152E+01 -9.1473E-01 -2.3913E+00 H1 1043 1.008000 0.423800 -1.1874E+01 -1.3569E+00 -1.5384E+00 H2 1044 1.008000 0.423800 -1.2608E+01 -1.5824E+00 -2.9797E+00 O6 1045 15.999400 -0.847600 1.3833E+01 3.5444E+00 -1.0886E+01 H1 1046 1.008000 0.423800 1.4062E+01 2.5765E+00 -1.0782E+01 H2 1047 1.008000 0.423800 1.3438E+01 3.6974E+00 -1.1792E+01 O6 1048 15.999400 -0.847600 -9.5386E+00 1.7589E+01 8.6950E-01 H1 1049 1.008000 0.423800 -9.8464E+00 1.8335E+01 2.7939E-01 H2 1050 1.008000 0.423800 -9.4697E+00 1.6747E+01 3.3386E-01 O6 1051 15.999400 -0.847600 1.1031E+01 1.0130E+00 -1.3555E+01 H1 1052 1.008000 0.423800 1.1219E+01 5.4510E-01 -1.2691E+01 H2 1053 1.008000 0.423800 1.0230E+01 1.6010E+00 -1.3448E+01 O6 1054 15.999400 -0.847600 -1.6930E+01 1.2154E+00 8.4139E+00 H1 1055 1.008000 0.423800 -1.6228E+01 1.2672E+00 9.1242E+00 H2 1056 1.008000 0.423800 -1.6556E+01 1.5532E+00 7.5502E+00 O6 1057 15.999400 -0.847600 1.7285E+00 -1.0595E+01 1.2421E+01 H1 1058 1.008000 0.423800 2.5658E+00 -1.0572E+01 1.2968E+01 H2 1059 1.008000 0.423800 1.0677E+00 -9.9452E+00 1.2797E+01 O6 1060 15.999400 -0.847600 -7.7674E+00 -3.0164E-01 9.6443E+00 H1 1061 1.008000 0.423800 -7.3711E+00 -2.5923E-01 8.7271E+00 H2 1062 1.008000 0.423800 -7.6739E+00 5.8899E-01 1.0089E+01 O6 1063 15.999400 -0.847600 -1.6809E+01 1.6362E+01 -9.0651E+00 H1 1064 1.008000 0.423800 -1.6199E+01 1.5892E+01 -8.4263E+00 H2 1065 1.008000 0.423800 -1.6277E+01 1.6992E+01 -9.6305E+00 O6 1066 15.999400 -0.847600 -6.3021E+00 1.9443E+01 -3.9568E+00 H1 1067 1.008000 0.423800 -6.4091E+00 1.9024E+01 -3.0552E+00 H2 1068 1.008000 0.423800 -7.1357E+00 -1.9155E+01 -4.1932E+00 O6 1069 15.999400 -0.847600 -1.5357E+01 1.4359E+01 1.3472E+01 H1 1070 1.008000 0.423800 -1.5941E+01 1.4244E+01 1.2669E+01 H2 1071 1.008000 0.423800 -1.5710E+01 1.3802E+01 1.4224E+01 O6 1072 15.999400 -0.847600 1.8616E+01 7.8115E+00 -9.5985E-01 H1 1073 1.008000 0.423800 1.7623E+01 7.9276E+00 -9.3012E-01 H2 1074 1.008000 0.423800 1.8968E+01 8.1741E+00 -1.8227E+00 O6 1075 15.999400 -0.847600 -9.5803E+00 6.2430E+00 -1.5483E+01 H1 1076 1.008000 0.423800 -1.0490E+01 6.1646E+00 -1.5075E+01 H2 1077 1.008000 0.423800 -9.0751E+00 5.3925E+00 -1.5337E+01 O6 1078 15.999400 -0.847600 -1.3399E+01 -1.9192E+01 -1.1376E+01 H1 1079 1.008000 0.423800 -1.3953E+01 1.9336E+01 -1.0768E+01 H2 1080 1.008000 0.423800 -1.3999E+01 -1.8681E+01 -1.1992E+01 O6 1081 15.999400 -0.847600 -1.7298E+01 8.7354E+00 1.1899E+01 H1 1082 1.008000 0.423800 -1.6677E+01 9.4435E+00 1.2235E+01 H2 1083 1.008000 0.423800 -1.8134E+01 9.1618E+00 1.1554E+01 O6 1084 15.999400 -0.847600 1.1439E+01 -1.6281E+01 3.1184E+00 H1 1085 1.008000 0.423800 1.1655E+01 -1.5412E+01 3.5630E+00 H2 1086 1.008000 0.423800 1.2287E+01 -1.6734E+01 2.8431E+00 O6 1087 15.999400 -0.847600 4.3546E-01 -1.2391E+01 1.4549E+01 H1 1088 1.008000 0.423800 5.9884E-01 -1.1487E+01 1.4153E+01 H2 1089 1.008000 0.423800 1.2915E+00 -1.2908E+01 1.4564E+01 O6 1090 15.999400 -0.847600 -1.4746E+00 4.5408E+00 -4.6292E+00 H1 1091 1.008000 0.423800 -1.0243E+00 3.9647E+00 -5.3113E+00 H2 1092 1.008000 0.423800 -2.1470E+00 3.9979E+00 -4.1260E+00 O6 1093 15.999400 -0.847600 -2.3487E+00 -1.8541E+01 1.3160E+01 H1 1094 1.008000 0.423800 -3.3169E+00 -1.8790E+01 1.3133E+01 H2 1095 1.008000 0.423800 -2.2562E+00 -1.7595E+01 1.3470E+01 O6 1096 15.999400 -0.847600 3.5812E+00 -1.3600E+01 1.6008E+01 H1 1097 1.008000 0.423800 3.9618E+00 -1.2694E+01 1.5824E+01 H2 1098 1.008000 0.423800 4.0269E+00 -1.3992E+01 1.6813E+01 O6 1099 15.999400 -0.847600 1.7260E+01 -1.0865E-01 3.9964E+00 H1 1100 1.008000 0.423800 1.7244E+01 -1.9291E-01 3.0001E+00 H2 1101 1.008000 0.423800 1.6525E+01 -6.6097E-01 4.3895E+00 O6 1102 15.999400 -0.847600 8.2364E+00 -1.3262E+00 -1.4360E+01 H1 1103 1.008000 0.423800 8.9633E+00 -9.3683E-01 -1.4926E+01 H2 1104 1.008000 0.423800 7.3914E+00 -1.3778E+00 -1.4892E+01 O6 1105 15.999400 -0.847600 3.6336E+00 3.2287E-01 -1.0244E+01 H1 1106 1.008000 0.423800 4.5427E+00 -6.0656E-02 -1.0407E+01 H2 1107 1.008000 0.423800 3.3977E+00 2.2249E-01 -9.2775E+00 O6 1108 15.999400 -0.847600 -1.5045E+00 1.6818E+01 -1.6909E+01 H1 1109 1.008000 0.423800 -2.1006E+00 1.6020E+01 -1.6991E+01 H2 1110 1.008000 0.423800 -1.5181E+00 1.7334E+01 -1.7765E+01 O6 1111 15.999400 -0.847600 -2.6986E-01 -1.4349E+01 4.0287E+00 H1 1112 1.008000 0.423800 -9.8843E-01 -1.5005E+01 3.7995E+00 H2 1113 1.008000 0.423800 1.2600E-02 -1.3862E+01 3.2023E+00 O6 1114 15.999400 -0.847600 -3.3701E+00 9.9139E+00 -3.9714E+00 H1 1115 1.008000 0.423800 -4.1101E+00 1.0575E+01 -3.8458E+00 H2 1116 1.008000 0.423800 -3.1433E+00 9.8483E+00 -4.9431E+00 O6 1117 15.999400 -0.847600 6.1346E+00 -6.8171E-01 -1.0199E+01 H1 1118 1.008000 0.423800 6.6302E+00 -1.5458E+00 -1.0111E+01 H2 1119 1.008000 0.423800 6.6060E+00 2.7733E-02 -9.6751E+00 O6 1120 15.999400 -0.847600 -7.6159E+00 9.3895E+00 -1.7582E+01 H1 1121 1.008000 0.423800 -7.9849E+00 1.0249E+01 -1.7230E+01 H2 1122 1.008000 0.423800 -6.9380E+00 9.0299E+00 -1.6941E+01 O6 1123 15.999400 -0.847600 -1.3454E+01 3.2481E+00 -1.9405E+01 H1 1124 1.008000 0.423800 -1.2887E+01 2.4263E+00 -1.9458E+01 H2 1125 1.008000 0.423800 -1.3919E+01 3.2753E+00 -1.8520E+01 O6 1126 15.999400 -0.847600 1.8807E+01 8.2846E+00 1.6396E+01 H1 1127 1.008000 0.423800 1.9475E+01 8.5907E+00 1.5718E+01 H2 1128 1.008000 0.423800 1.8441E+01 7.3947E+00 1.6125E+01 O6 1129 15.999400 -0.847600 -1.1808E+01 4.1806E+00 -1.4526E+00 H1 1130 1.008000 0.423800 -1.1621E+01 3.2326E+00 -1.7098E+00 H2 1131 1.008000 0.423800 -1.2618E+01 4.5049E+00 -1.9413E+00 O6 1132 15.999400 -0.847600 1.4990E+00 1.6819E+01 6.3228E+00 H1 1133 1.008000 0.423800 5.2342E-01 1.6852E+01 6.1056E+00 H2 1134 1.008000 0.423800 1.6231E+00 1.6454E+01 7.2453E+00 O6 1135 15.999400 -0.847600 4.8465E+00 9.3731E+00 -1.7416E+01 H1 1136 1.008000 0.423800 4.0223E+00 8.8524E+00 -1.7639E+01 H2 1137 1.008000 0.423800 4.5985E+00 1.0170E+01 -1.6865E+01 O6 1138 15.999400 -0.847600 1.5360E+01 -1.7110E+01 -1.4888E+01 H1 1139 1.008000 0.423800 1.5013E+01 -1.8008E+01 -1.5156E+01 H2 1140 1.008000 0.423800 1.5404E+01 -1.6516E+01 -1.5691E+01 O6 1141 15.999400 -0.847600 1.4474E+01 1.6358E+01 -1.7746E+01 H1 1142 1.008000 0.423800 1.4431E+01 1.6303E+01 -1.8743E+01 H2 1143 1.008000 0.423800 1.4773E+01 1.5478E+01 -1.7376E+01 O6 1144 15.999400 -0.847600 3.0270E+00 -8.2432E+00 -3.3441E+00 H1 1145 1.008000 0.423800 2.6770E+00 -8.1918E+00 -2.4087E+00 H2 1146 1.008000 0.423800 2.2653E+00 -8.1808E+00 -3.9889E+00 O6 1147 15.999400 -0.847600 1.7631E+01 2.8832E+00 -1.3685E+01 H1 1148 1.008000 0.423800 1.7772E+01 2.2722E+00 -1.2906E+01 H2 1149 1.008000 0.423800 1.8019E+01 3.7813E+00 -1.3478E+01 O6 1150 15.999400 -0.847600 -3.0539E+00 -1.2239E+01 -1.8852E+01 H1 1151 1.008000 0.423800 -3.7941E+00 -1.1822E+01 -1.8325E+01 H2 1152 1.008000 0.423800 -2.2560E+00 -1.1637E+01 -1.8841E+01 O6 1153 15.999400 -0.847600 -1.5662E+01 -1.3568E+01 1.1573E+01 H1 1154 1.008000 0.423800 -1.5171E+01 -1.4284E+01 1.2069E+01 H2 1155 1.008000 0.423800 -1.5019E+01 -1.3054E+01 1.1006E+01 O6 1156 15.999400 -0.847600 6.9969E+00 8.7617E+00 7.0940E+00 H1 1157 1.008000 0.423800 6.6673E+00 7.8298E+00 7.2459E+00 H2 1158 1.008000 0.423800 7.9944E+00 8.7552E+00 7.0250E+00 O6 1159 15.999400 -0.847600 9.2206E+00 1.2975E+01 -1.7324E+01 H1 1160 1.008000 0.423800 9.2580E+00 1.3673E+01 -1.8039E+01 H2 1161 1.008000 0.423800 8.3439E+00 1.2496E+01 -1.7372E+01 O6 1162 15.999400 -0.847600 -1.2147E+01 1.5470E+01 3.4691E+00 H1 1163 1.008000 0.423800 -1.1242E+01 1.5096E+01 3.6728E+00 H2 1164 1.008000 0.423800 -1.2757E+01 1.4731E+01 3.1841E+00 O6 1165 15.999400 -0.847600 1.3435E+01 -7.7708E+00 -4.6195E+00 H1 1166 1.008000 0.423800 1.2808E+01 -7.6524E+00 -3.8491E+00 H2 1167 1.008000 0.423800 1.4359E+01 -7.9344E+00 -4.2750E+00 O6 1168 15.999400 -0.847600 -6.8528E+00 1.6626E+01 1.0006E+01 H1 1169 1.008000 0.423800 -7.0545E+00 1.7138E+01 9.1710E+00 H2 1170 1.008000 0.423800 -7.4083E+00 1.6981E+01 1.0757E+01 O6 1171 15.999400 -0.847600 1.7525E+01 -1.9498E+01 1.2027E+01 H1 1172 1.008000 0.423800 1.7280E+01 -1.8635E+01 1.2468E+01 H2 1173 1.008000 0.423800 1.7488E+01 1.8860E+01 1.2699E+01 O6 1174 15.999400 -0.847600 1.0325E+01 -1.8498E+00 1.4790E+01 H1 1175 1.008000 0.423800 9.9203E+00 -9.4701E-01 1.4937E+01 H2 1176 1.008000 0.423800 1.1253E+01 -1.8638E+00 1.5163E+01 O6 1177 15.999400 -0.847600 1.1720E+01 -6.4518E+00 1.0932E+01 H1 1178 1.008000 0.423800 1.1934E+01 -5.7322E+00 1.0271E+01 H2 1179 1.008000 0.423800 1.0845E+01 -6.2501E+00 1.1373E+01 O6 1180 15.999400 -0.847600 2.2502E+00 2.6872E+00 -7.9472E+00 H1 1181 1.008000 0.423800 1.9324E+00 2.6468E+00 -8.8945E+00 H2 1182 1.008000 0.423800 2.4227E+00 1.7603E+00 -7.6138E+00 O6 1183 15.999400 -0.847600 -1.2735E+01 -1.4000E+00 7.1376E+00 H1 1184 1.008000 0.423800 -1.2084E+01 -2.1385E+00 7.3120E+00 H2 1185 1.008000 0.423800 -1.2926E+01 -9.1596E-01 7.9915E+00 O6 1186 15.999400 -0.847600 1.8609E+00 8.3526E+00 -2.8107E+00 H1 1187 1.008000 0.423800 1.5475E+00 7.5502E+00 -2.3028E+00 H2 1188 1.008000 0.423800 1.6514E+00 9.1798E+00 -2.2893E+00 O6 1189 15.999400 -0.847600 1.5808E+01 -1.3784E+01 -1.1232E+01 H1 1190 1.008000 0.423800 1.4965E+01 -1.4081E+01 -1.0783E+01 H2 1191 1.008000 0.423800 1.6315E+01 -1.3175E+01 -1.0621E+01 O6 1192 15.999400 -0.847600 1.9159E+00 9.7704E+00 4.0305E-01 H1 1193 1.008000 0.423800 9.8698E-01 9.9178E+00 7.4279E-01 H2 1194 1.008000 0.423800 2.0652E+00 1.0330E+01 -4.1231E-01 O6 1195 15.999400 -0.847600 -1.6143E+01 -3.7980E+00 1.6347E+01 H1 1196 1.008000 0.423800 -1.6525E+01 -4.6972E+00 1.6134E+01 H2 1197 1.008000 0.423800 -1.6063E+01 -3.6966E+00 1.7339E+01 O6 1198 15.999400 -0.847600 6.6846E+00 -9.1078E+00 -1.6123E+01 H1 1199 1.008000 0.423800 5.8357E+00 -9.6197E+00 -1.5992E+01 H2 1200 1.008000 0.423800 6.9388E+00 -8.6590E+00 -1.5266E+01 O6 1201 15.999400 -0.847600 -1.8636E+01 1.3422E+01 -6.3008E+00 H1 1202 1.008000 0.423800 -1.8814E+01 1.4402E+01 -6.3867E+00 H2 1203 1.008000 0.423800 -1.8504E+01 1.3026E+01 -7.2097E+00 O6 1204 15.999400 -0.847600 -1.4925E+01 -7.3067E-01 5.5630E+00 H1 1205 1.008000 0.423800 -1.4067E+01 -9.5150E-01 6.0280E+00 H2 1206 1.008000 0.423800 -1.5250E+01 1.6299E-01 5.8715E+00 O6 1207 15.999400 -0.847600 -6.8740E+00 -3.8789E+00 1.2097E+00 H1 1208 1.008000 0.423800 -6.6016E+00 -3.2718E+00 4.6327E-01 H2 1209 1.008000 0.423800 -6.6270E+00 -3.4627E+00 2.0848E+00 O6 1210 15.999400 -0.847600 6.2025E-01 6.3577E+00 7.0961E+00 H1 1211 1.008000 0.423800 5.4268E-01 5.8098E+00 6.2631E+00 H2 1212 1.008000 0.423800 -8.4457E-02 7.0672E+00 7.0952E+00 O6 1213 15.999400 -0.847600 1.9529E+01 1.1301E+01 -1.7252E+01 H1 1214 1.008000 0.423800 -1.9429E+01 1.1713E+01 -1.8152E+01 H2 1215 1.008000 0.423800 1.9163E+01 1.1987E+01 -1.6624E+01 O6 1216 15.999400 -0.847600 1.7745E+01 1.4008E+01 -8.8022E+00 H1 1217 1.008000 0.423800 1.7074E+01 1.4463E+01 -9.3879E+00 H2 1218 1.008000 0.423800 1.7381E+01 1.3934E+01 -7.8738E+00 O6 1219 15.999400 -0.847600 1.8807E+01 1.5466E+01 -1.3981E+01 H1 1220 1.008000 0.423800 1.7991E+01 1.5693E+01 -1.3450E+01 H2 1221 1.008000 0.423800 -1.9494E+01 1.5449E+01 -1.3377E+01 O6 1222 15.999400 -0.847600 1.2671E+01 1.3517E+01 -1.6921E+00 H1 1223 1.008000 0.423800 1.2644E+01 1.4071E+01 -2.5245E+00 H2 1224 1.008000 0.423800 1.2159E+01 1.2671E+01 -1.8379E+00 O6 1225 15.999400 -0.847600 -5.4776E+00 -1.0270E+00 7.3821E+00 H1 1226 1.008000 0.423800 -5.8028E+00 -1.1481E-01 7.1326E+00 H2 1227 1.008000 0.423800 -5.4323E+00 -1.6000E+00 6.5637E+00 O6 1228 15.999400 -0.847600 1.6727E+00 -6.0788E+00 -1.6587E+01 H1 1229 1.008000 0.423800 2.3555E+00 -6.1724E+00 -1.7311E+01 H2 1230 1.008000 0.423800 2.0121E+00 -5.4487E+00 -1.5888E+01 O6 1231 15.999400 -0.847600 -3.3678E+00 1.9198E+01 4.3606E+00 H1 1232 1.008000 0.423800 -3.8536E+00 1.8813E+01 3.5756E+00 H2 1233 1.008000 0.423800 -2.4179E+00 1.9381E+01 4.1074E+00 O6 1234 15.999400 -0.847600 7.6198E-01 -1.8272E+01 -1.5360E+01 H1 1235 1.008000 0.423800 8.0573E-01 -1.8455E+01 -1.4378E+01 H2 1236 1.008000 0.423800 1.6037E+00 -1.8590E+01 -1.5796E+01 O6 1237 15.999400 -0.847600 -1.0713E+01 1.2858E+01 -1.8134E+01 H1 1238 1.008000 0.423800 -1.0674E+01 1.2062E+01 -1.7529E+01 H2 1239 1.008000 0.423800 -1.0494E+01 1.2578E+01 -1.9068E+01 O6 1240 15.999400 -0.847600 -9.1033E+00 -7.1987E+00 -4.9108E-01 H1 1241 1.008000 0.423800 -8.4779E+00 -7.7373E+00 -1.0557E+00 H2 1242 1.008000 0.423800 -8.6637E+00 -6.9836E+00 3.8099E-01 O6 1243 15.999400 -0.847600 1.2040E+01 1.9527E+01 -4.5551E+00 H1 1244 1.008000 0.423800 1.2105E+01 1.9123E+01 -3.6430E+00 H2 1245 1.008000 0.423800 1.1935E+01 -1.8579E+01 -4.4732E+00 O6 1246 15.999400 -0.847600 1.0037E+01 1.0033E+01 -1.9132E+01 H1 1247 1.008000 0.423800 1.0993E+01 1.0235E+01 -1.8921E+01 H2 1248 1.008000 0.423800 9.7354E+00 1.0606E+01 1.9204E+01 O6 1249 15.999400 -0.847600 -8.4967E+00 -3.4094E+00 1.3681E+01 H1 1250 1.008000 0.423800 -9.4466E+00 -3.6611E+00 1.3866E+01 H2 1251 1.008000 0.423800 -8.4648E+00 -2.4850E+00 1.3301E+01 O6 1252 15.999400 -0.847600 -1.5060E+00 1.8430E+01 -1.9045E+01 H1 1253 1.008000 0.423800 -1.2374E+00 1.9227E+01 -1.8503E+01 H2 1254 1.008000 0.423800 -2.2100E+00 1.8697E+01 1.9395E+01 O6 1255 15.999400 -0.847600 -9.3094E+00 -8.3839E-01 -3.0173E+00 H1 1256 1.008000 0.423800 -1.0272E+01 -8.4640E-01 -3.2883E+00 H2 1257 1.008000 0.423800 -9.2407E+00 -6.5184E-01 -2.0372E+00 O6 1258 15.999400 -0.847600 -5.0722E+00 -7.6440E+00 3.2201E+00 H1 1259 1.008000 0.423800 -5.8993E+00 -8.1783E+00 3.0456E+00 H2 1260 1.008000 0.423800 -4.7422E+00 -7.2509E+00 2.3619E+00 O6 1261 15.999400 -0.847600 -1.1958E+01 1.0029E+01 -1.9088E+01 H1 1262 1.008000 0.423800 -1.1327E+01 1.0519E+01 1.9408E+01 H2 1263 1.008000 0.423800 -1.1444E+01 9.5900E+00 -1.8351E+01 O6 1264 15.999400 -0.847600 1.2708E+01 -4.6625E+00 -7.8206E+00 H1 1265 1.008000 0.423800 1.3572E+01 -5.1059E+00 -7.5819E+00 H2 1266 1.008000 0.423800 1.2597E+01 -4.6617E+00 -8.8144E+00 O6 1267 15.999400 -0.847600 -1.3564E+01 1.7092E+01 -1.8376E+01 H1 1268 1.008000 0.423800 -1.3846E+01 1.7994E+01 -1.8048E+01 H2 1269 1.008000 0.423800 -1.4325E+01 1.6659E+01 -1.8858E+01 O6 1270 15.999400 -0.847600 -1.1079E+01 1.5773E+01 -1.8232E+01 H1 1271 1.008000 0.423800 -1.1084E+01 1.4798E+01 -1.8454E+01 H2 1272 1.008000 0.423800 -1.1926E+01 1.6193E+01 -1.8558E+01 O6 1273 15.999400 -0.847600 -1.6093E+01 6.8305E+00 1.5380E+01 H1 1274 1.008000 0.423800 -1.6441E+01 6.2862E+00 1.6143E+01 H2 1275 1.008000 0.423800 -1.5110E+01 6.6778E+00 1.5282E+01 O6 1276 15.999400 -0.847600 1.5573E+01 6.2082E+00 1.8827E+01 H1 1277 1.008000 0.423800 1.4862E+01 5.6595E+00 1.9266E+01 H2 1278 1.008000 0.423800 1.6395E+01 5.6519E+00 1.8705E+01 O6 1279 15.999400 -0.847600 -8.1209E+00 5.9981E+00 -1.0187E+01 H1 1280 1.008000 0.423800 -8.5348E+00 5.4212E+00 -9.4828E+00 H2 1281 1.008000 0.423800 -8.6431E+00 5.9143E+00 -1.1036E+01 O6 1282 15.999400 -0.847600 -1.4908E+01 -1.2689E+01 -8.3341E+00 H1 1283 1.008000 0.423800 -1.3949E+01 -1.2457E+01 -8.4968E+00 H2 1284 1.008000 0.423800 -1.4962E+01 -1.3446E+01 -7.6834E+00 O6 1285 15.999400 -0.847600 -1.3035E+01 -1.2016E+01 -6.4127E+00 H1 1286 1.008000 0.423800 -1.2586E+01 -1.2416E+01 -5.6134E+00 H2 1287 1.008000 0.423800 -1.2536E+01 -1.2274E+01 -7.2395E+00 O6 1288 15.999400 -0.847600 -1.5700E+01 -3.2056E+00 -2.0298E+00 H1 1289 1.008000 0.423800 -1.5008E+01 -3.2287E+00 -2.7512E+00 H2 1290 1.008000 0.423800 -1.5874E+01 -2.2571E+00 -1.7657E+00 O6 1291 15.999400 -0.847600 -4.1964E-01 -1.3753E+01 -1.4132E+01 H1 1292 1.008000 0.423800 4.9916E-01 -1.4106E+01 -1.3954E+01 H2 1293 1.008000 0.423800 -4.4566E-01 -1.2774E+01 -1.3929E+01 O6 1294 15.999400 -0.847600 5.5468E+00 -1.7243E+01 1.9118E+01 H1 1295 1.008000 0.423800 6.3081E+00 -1.6594E+01 1.9117E+01 H2 1296 1.008000 0.423800 4.7201E+00 -1.6787E+01 1.8789E+01 O6 1297 15.999400 -0.847600 -8.3901E+00 1.6380E+01 6.2498E+00 H1 1298 1.008000 0.423800 -8.0010E+00 1.6819E+01 7.0595E+00 H2 1299 1.008000 0.423800 -8.8367E+00 1.5526E+01 6.5162E+00 O6 1300 15.999400 -0.847600 1.0466E-01 1.5452E+00 -4.5057E+00 H1 1301 1.008000 0.423800 -1.0446E-01 2.1261E+00 -5.2924E+00 H2 1302 1.008000 0.423800 1.0929E+00 1.4026E+00 -4.4500E+00 O6 1303 15.999400 -0.847600 -4.0524E+00 8.0115E-01 4.1463E+00 H1 1304 1.008000 0.423800 -3.9263E+00 1.5512E+00 4.7956E+00 H2 1305 1.008000 0.423800 -3.1591E+00 4.6131E-01 3.8522E+00 O6 1306 15.999400 -0.847600 1.4738E+01 -1.1396E+01 1.5762E+01 H1 1307 1.008000 0.423800 1.4589E+01 -1.0460E+01 1.5444E+01 H2 1308 1.008000 0.423800 1.5607E+01 -1.1447E+01 1.6253E+01 O6 1309 15.999400 -0.847600 6.8974E+00 1.2741E+01 1.7574E+01 H1 1310 1.008000 0.423800 7.8295E+00 1.2386E+01 1.7503E+01 H2 1311 1.008000 0.423800 6.7522E+00 1.3116E+01 1.8490E+01 O6 1312 15.999400 -0.847600 -3.0406E+00 -1.0040E+01 1.3463E+01 H1 1313 1.008000 0.423800 -3.7933E+00 -9.5048E+00 1.3846E+01 H2 1314 1.008000 0.423800 -2.6900E+00 -1.0668E+01 1.4158E+01 O6 1315 15.999400 -0.847600 1.1088E+01 -1.0077E+01 1.1714E+01 H1 1316 1.008000 0.423800 1.1501E+01 -1.0911E+01 1.2082E+01 H2 1317 1.008000 0.423800 1.1553E+01 -9.2785E+00 1.2095E+01 O6 1318 15.999400 -0.847600 -1.6172E+01 8.0076E+00 4.7817E+00 H1 1319 1.008000 0.423800 -1.6954E+01 8.3140E+00 4.2388E+00 H2 1320 1.008000 0.423800 -1.5566E+01 8.7826E+00 4.9600E+00 O6 1321 15.999400 -0.847600 -2.8757E+00 -2.5686E-01 -5.4557E+00 H1 1322 1.008000 0.423800 -3.0270E+00 6.1894E-01 -4.9974E+00 H2 1323 1.008000 0.423800 -3.7409E+00 -7.5437E-01 -5.5178E+00 O6 1324 15.999400 -0.847600 -5.3484E+00 6.7442E+00 -2.7421E+00 H1 1325 1.008000 0.423800 -4.3688E+00 6.9313E+00 -2.6691E+00 H2 1326 1.008000 0.423800 -5.6271E+00 6.7966E+00 -3.7010E+00 O6 1327 15.999400 -0.847600 -1.1696E+01 -4.4426E+00 1.7714E+01 H1 1328 1.008000 0.423800 -1.2151E+01 -3.6379E+00 1.7333E+01 H2 1329 1.008000 0.423800 -1.0916E+01 -4.1530E+00 1.8268E+01 O6 1330 15.999400 -0.847600 1.3224E+01 -6.7023E+00 1.6492E+01 H1 1331 1.008000 0.423800 1.2834E+01 -6.7152E+00 1.7413E+01 H2 1332 1.008000 0.423800 1.2487E+01 -6.6415E+00 1.5819E+01 O6 1333 15.999400 -0.847600 -4.2177E+00 -1.6745E+01 -1.5227E+01 H1 1334 1.008000 0.423800 -3.6057E+00 -1.6713E+01 -1.6017E+01 H2 1335 1.008000 0.423800 -4.6147E+00 -1.5839E+01 -1.5076E+01 O6 1336 15.999400 -0.847600 -1.1405E+01 1.4449E+01 -4.7771E+00 H1 1337 1.008000 0.423800 -1.1604E+01 1.5385E+01 -4.4848E+00 H2 1338 1.008000 0.423800 -1.2090E+01 1.4155E+01 -5.4425E+00 O6 1339 15.999400 -0.847600 1.8703E+01 1.6053E+01 -1.7854E+00 H1 1340 1.008000 0.423800 1.8674E+01 1.7009E+01 -1.4921E+00 H2 1341 1.008000 0.423800 1.8371E+01 1.5983E+01 -2.7260E+00 O6 1342 15.999400 -0.847600 -4.0628E+00 5.1272E+00 -1.5208E+01 H1 1343 1.008000 0.423800 -4.0814E+00 4.1653E+00 -1.5481E+01 H2 1344 1.008000 0.423800 -4.6157E+00 5.2507E+00 -1.4384E+01 O6 1345 15.999400 -0.847600 1.5961E+01 1.8485E+01 -1.6431E+01 H1 1346 1.008000 0.423800 1.5584E+01 1.7727E+01 -1.6963E+01 H2 1347 1.008000 0.423800 1.6836E+01 1.8767E+01 -1.6825E+01 O6 1348 15.999400 -0.847600 1.0917E+01 -1.2335E+01 -1.4480E+01 H1 1349 1.008000 0.423800 1.0724E+01 -1.1407E+01 -1.4161E+01 H2 1350 1.008000 0.423800 1.1901E+01 -1.2440E+01 -1.4622E+01 O6 1351 15.999400 -0.847600 1.1830E+01 1.0740E+01 -1.3965E+01 H1 1352 1.008000 0.423800 1.1760E+01 1.0518E+01 -1.2992E+01 H2 1353 1.008000 0.423800 1.0920E+01 1.0941E+01 -1.4327E+01 O6 1354 15.999400 -0.847600 -7.3742E+00 3.9610E+00 7.3337E+00 H1 1355 1.008000 0.423800 -8.2911E+00 4.0687E+00 7.7180E+00 H2 1356 1.008000 0.423800 -6.8070E+00 4.7398E+00 7.6015E+00 O6 1357 15.999400 -0.847600 7.0081E+00 7.2369E+00 1.4347E+01 H1 1358 1.008000 0.423800 7.5079E+00 7.2515E+00 1.5213E+01 H2 1359 1.008000 0.423800 7.0739E+00 8.1335E+00 1.3909E+01 O6 1360 15.999400 -0.847600 -5.4859E+00 -1.2329E+00 -5.8994E+00 H1 1361 1.008000 0.423800 -5.3062E+00 -2.2108E+00 -5.7915E+00 H2 1362 1.008000 0.423800 -6.3619E+00 -1.0062E+00 -5.4736E+00 O6 1363 15.999400 -0.847600 -6.1876E+00 -2.4331E+00 -1.2717E+00 H1 1364 1.008000 0.423800 -6.1704E+00 -1.4334E+00 -1.2886E+00 H2 1365 1.008000 0.423800 -6.9144E+00 -2.7641E+00 -1.8736E+00 O6 1366 15.999400 -0.847600 4.3672E+00 1.5268E+01 1.6117E+01 H1 1367 1.008000 0.423800 4.2956E+00 1.4312E+01 1.5830E+01 H2 1368 1.008000 0.423800 5.2251E+00 1.5654E+01 1.5777E+01 O6 1369 15.999400 -0.847600 -8.4986E+00 -3.6029E+00 -2.8755E+00 H1 1370 1.008000 0.423800 -8.7825E+00 -2.6449E+00 -2.9158E+00 H2 1371 1.008000 0.423800 -9.1679E+00 -4.1270E+00 -2.3489E+00 O6 1372 15.999400 -0.847600 8.5587E+00 -1.5181E+01 -8.2281E-01 H1 1373 1.008000 0.423800 9.3109E+00 -1.5668E+01 -3.7908E-01 H2 1374 1.008000 0.423800 7.8745E+00 -1.4929E+01 -1.3818E-01 O6 1375 15.999400 -0.847600 1.7067E+01 1.7341E+01 1.4066E+01 H1 1376 1.008000 0.423800 1.6286E+01 1.6723E+01 1.3965E+01 H2 1377 1.008000 0.423800 1.6915E+01 1.7944E+01 1.4848E+01 O6 1378 15.999400 -0.847600 1.4604E+01 6.5773E+00 1.5743E+01 H1 1379 1.008000 0.423800 1.3773E+01 6.0482E+00 1.5569E+01 H2 1380 1.008000 0.423800 1.4486E+01 7.1173E+00 1.6577E+01 O6 1381 15.999400 -0.847600 -1.5268E+01 6.3334E-01 -5.7446E+00 H1 1382 1.008000 0.423800 -1.5212E+01 9.6181E-01 -6.6874E+00 H2 1383 1.008000 0.423800 -1.5887E+01 1.2205E+00 -5.2234E+00 O6 1384 15.999400 -0.847600 1.6287E+01 8.9097E+00 1.1182E+01 H1 1385 1.008000 0.423800 1.6186E+01 8.4711E+00 1.2075E+01 H2 1386 1.008000 0.423800 1.6014E+01 8.2701E+00 1.0464E+01 O6 1387 15.999400 -0.847600 -6.7039E+00 1.4787E+01 -7.1276E+00 H1 1388 1.008000 0.423800 -7.3443E+00 1.4019E+01 -7.1387E+00 H2 1389 1.008000 0.423800 -5.7737E+00 1.4447E+01 -7.2663E+00 O6 1390 15.999400 -0.847600 -7.4373E+00 -1.3082E+01 4.9184E+00 H1 1391 1.008000 0.423800 -6.8506E+00 -1.3792E+01 5.3072E+00 H2 1392 1.008000 0.423800 -7.2378E+00 -1.2207E+01 5.3592E+00 O6 1393 15.999400 -0.847600 1.6084E+01 1.0282E+01 -4.9551E+00 H1 1394 1.008000 0.423800 1.6203E+01 1.0209E+01 -3.9650E+00 H2 1395 1.008000 0.423800 1.6913E+01 1.0663E+01 -5.3637E+00 O6 1396 15.999400 -0.847600 -1.1605E+01 1.5293E+01 9.2993E+00 H1 1397 1.008000 0.423800 -1.2483E+01 1.5505E+01 9.7278E+00 H2 1398 1.008000 0.423800 -1.1239E+01 1.6116E+01 8.8644E+00 O6 1399 15.999400 -0.847600 6.2204E+00 -1.1194E+01 -7.6761E+00 H1 1400 1.008000 0.423800 7.0289E+00 -1.0619E+01 -7.8041E+00 H2 1401 1.008000 0.423800 5.4276E+00 -1.0615E+01 -7.4839E+00 O6 1402 15.999400 -0.847600 3.7294E+00 2.4539E+00 -5.2580E-01 H1 1403 1.008000 0.423800 4.2971E+00 3.2280E+00 -2.4523E-01 H2 1404 1.008000 0.423800 2.8049E+00 2.5699E+00 -1.6289E-01 O6 1405 15.999400 -0.847600 1.0827E+01 1.1209E+01 -2.2702E+00 H1 1406 1.008000 0.423800 9.9280E+00 1.1563E+01 -2.0137E+00 H2 1407 1.008000 0.423800 1.0962E+01 1.1322E+01 -3.2546E+00 O6 1408 15.999400 -0.847600 -5.8244E+00 1.5199E+01 3.9969E+00 H1 1409 1.008000 0.423800 -6.6158E+00 1.5552E+01 3.4973E+00 H2 1410 1.008000 0.423800 -5.6918E+00 1.5734E+01 4.8312E+00 O6 1411 15.999400 -0.847600 -1.0547E+01 9.3033E+00 -3.0168E+00 H1 1412 1.008000 0.423800 -1.0735E+01 8.4376E+00 -2.5531E+00 H2 1413 1.008000 0.423800 -1.0101E+01 9.9325E+00 -2.3799E+00 O6 1414 15.999400 -0.847600 -1.7494E+01 -1.1554E+01 -8.3262E+00 H1 1415 1.008000 0.423800 -1.6500E+01 -1.1649E+01 -8.2660E+00 H2 1416 1.008000 0.423800 -1.7784E+01 -1.1682E+01 -9.2745E+00 O6 1417 15.999400 -0.847600 -1.0359E+01 -5.0346E+00 6.6678E+00 H1 1418 1.008000 0.423800 -1.0791E+01 -4.4068E+00 7.3152E+00 H2 1419 1.008000 0.423800 -9.5364E+00 -5.4249E+00 7.0807E+00 O6 1420 15.999400 -0.847600 -1.8930E+01 -1.9517E+01 1.1381E+01 H1 1421 1.008000 0.423800 1.9253E+01 1.9232E+01 1.1585E+01 H2 1422 1.008000 0.423800 -1.8966E+01 -1.8523E+01 1.1283E+01 O6 1423 15.999400 -0.847600 1.8447E+00 1.9155E+01 3.5043E+00 H1 1424 1.008000 0.423800 1.7540E+00 1.9086E+01 4.4977E+00 H2 1425 1.008000 0.423800 2.5415E+00 1.8512E+01 3.1874E+00 O6 1426 15.999400 -0.847600 -2.4941E+00 -6.0453E+00 -3.8522E+00 H1 1427 1.008000 0.423800 -2.5558E+00 -6.2232E+00 -2.8700E+00 H2 1428 1.008000 0.423800 -2.7456E+00 -6.8711E+00 -4.3569E+00 O6 1429 15.999400 -0.847600 -7.4103E-01 -1.8783E+01 1.7505E+01 H1 1430 1.008000 0.423800 -4.2576E-01 1.9394E+01 1.7737E+01 H2 1431 1.008000 0.423800 -1.7408E+00 -1.8764E+01 1.7502E+01 O6 1432 15.999400 -0.847600 -4.1252E+00 2.4846E+00 -1.6095E+01 H1 1433 1.008000 0.423800 -3.4669E+00 2.1770E+00 -1.6782E+01 H2 1434 1.008000 0.423800 -5.0088E+00 2.6526E+00 -1.6532E+01 O6 1435 15.999400 -0.847600 1.7437E+01 -8.0412E+00 1.4265E+01 H1 1436 1.008000 0.423800 1.7194E+01 -7.4103E+00 1.3528E+01 H2 1437 1.008000 0.423800 1.8380E+01 -8.3505E+00 1.4140E+01 O6 1438 15.999400 -0.847600 -6.6985E+00 2.9429E+00 -1.2525E+01 H1 1439 1.008000 0.423800 -5.8209E+00 2.6930E+00 -1.2934E+01 H2 1440 1.008000 0.423800 -6.7973E+00 2.4841E+00 -1.1642E+01 O6 1441 15.999400 -0.847600 -8.3216E+00 1.6103E+01 -3.3544E+00 H1 1442 1.008000 0.423800 -7.6287E+00 1.5699E+01 -2.7569E+00 H2 1443 1.008000 0.423800 -7.9597E+00 1.6174E+01 -4.2839E+00 O6 1444 15.999400 -0.847600 7.4743E+00 7.7004E+00 3.4399E+00 H1 1445 1.008000 0.423800 6.7643E+00 8.4045E+00 3.4252E+00 H2 1446 1.008000 0.423800 7.7190E+00 7.4542E+00 2.5021E+00 O6 1447 15.999400 -0.847600 7.7760E+00 -1.6451E+01 -9.9772E+00 H1 1448 1.008000 0.423800 7.7062E+00 -1.7389E+01 -9.6371E+00 H2 1449 1.008000 0.423800 7.8111E+00 -1.5818E+01 -9.2040E+00 O6 1450 15.999400 -0.847600 1.7554E+01 -1.2111E+01 -5.8569E-01 H1 1451 1.008000 0.423800 1.8097E+01 -1.1373E+01 -9.8556E-01 H2 1452 1.008000 0.423800 1.6614E+01 -1.1799E+01 -4.5254E-01 O6 1453 15.999400 -0.847600 1.2193E+01 9.6699E+00 -7.7690E+00 H1 1454 1.008000 0.423800 1.1379E+01 9.0987E+00 -7.8787E+00 H2 1455 1.008000 0.423800 1.2466E+01 1.0035E+01 -8.6590E+00 O6 1456 15.999400 -0.847600 4.8007E+00 -7.2425E+00 -6.3762E+00 H1 1457 1.008000 0.423800 5.6161E+00 -6.8359E+00 -5.9641E+00 H2 1458 1.008000 0.423800 4.0980E+00 -6.5399E+00 -6.4876E+00 O6 1459 15.999400 -0.847600 1.7420E+01 1.9077E+01 -1.2459E+00 H1 1460 1.008000 0.423800 1.6677E+01 -1.9363E+01 -1.3719E+00 H2 1461 1.008000 0.423800 1.8299E+01 1.9543E+01 -1.3438E+00 O6 1462 15.999400 -0.847600 1.2036E+01 1.4490E+01 1.0459E+01 H1 1463 1.008000 0.423800 1.2953E+01 1.4357E+01 1.0085E+01 H2 1464 1.008000 0.423800 1.1704E+01 1.5400E+01 1.0211E+01 O6 1465 15.999400 -0.847600 -1.3267E+01 3.2573E+00 -8.8544E+00 H1 1466 1.008000 0.423800 -1.2919E+01 3.2015E+00 -7.9185E+00 H2 1467 1.008000 0.423800 -1.2641E+01 3.8047E+00 -9.4103E+00 O6 1468 15.999400 -0.847600 3.5724E+00 2.9389E+00 7.2214E+00 H1 1469 1.008000 0.423800 3.6597E+00 2.0433E+00 6.7852E+00 H2 1470 1.008000 0.423800 4.3615E+00 3.5045E+00 6.9821E+00 O6 1471 15.999400 -0.847600 1.5254E+01 1.6685E+01 7.3515E+00 H1 1472 1.008000 0.423800 1.6027E+01 1.7137E+01 7.7978E+00 H2 1473 1.008000 0.423800 1.5203E+01 1.6978E+01 6.3969E+00 O6 1474 15.999400 -0.847600 8.5920E+00 -1.6285E+01 1.5011E+01 H1 1475 1.008000 0.423800 9.2051E+00 -1.6605E+01 1.5733E+01 H2 1476 1.008000 0.423800 8.2183E+00 -1.7070E+01 1.4518E+01 O6 1477 15.999400 -0.847600 8.0006E+00 1.2200E+01 -1.2860E+01 H1 1478 1.008000 0.423800 7.8356E+00 1.1465E+01 -1.2202E+01 H2 1479 1.008000 0.423800 8.6681E+00 1.1896E+01 -1.3540E+01 O6 1480 15.999400 -0.847600 -3.2321E+00 -1.0527E+01 -7.1704E+00 H1 1481 1.008000 0.423800 -3.4914E+00 -1.1476E+01 -6.9922E+00 H2 1482 1.008000 0.423800 -2.3708E+00 -1.0324E+01 -6.7048E+00 O6 1483 15.999400 -0.847600 -2.2056E+00 1.7323E+01 -9.1432E+00 H1 1484 1.008000 0.423800 -1.5058E+00 1.6609E+01 -9.1695E+00 H2 1485 1.008000 0.423800 -1.7767E+00 1.8203E+01 -8.9386E+00 O6 1486 15.999400 -0.847600 -1.4468E+01 1.7384E+01 -7.6357E+00 H1 1487 1.008000 0.423800 -1.3833E+01 1.6675E+01 -7.9438E+00 H2 1488 1.008000 0.423800 -1.3961E+01 1.8096E+01 -7.1502E+00 O6 1489 15.999400 -0.847600 1.3470E+01 -1.8755E+00 -6.8862E+00 H1 1490 1.008000 0.423800 1.4439E+01 -2.1156E+00 -6.8193E+00 H2 1491 1.008000 0.423800 1.2935E+01 -2.6986E+00 -7.0769E+00 O6 1492 15.999400 -0.847600 -1.8746E+01 5.4443E+00 7.5951E+00 H1 1493 1.008000 0.423800 -1.8007E+01 6.0291E+00 7.2596E+00 H2 1494 1.008000 0.423800 -1.8712E+01 4.5622E+00 7.1253E+00 O6 1495 15.999400 -0.847600 -1.3042E+01 -1.4407E+01 -1.8105E+01 H1 1496 1.008000 0.423800 -1.3579E+01 -1.5037E+01 -1.8667E+01 H2 1497 1.008000 0.423800 -1.2541E+01 -1.4925E+01 -1.7412E+01 O6 1498 15.999400 -0.847600 1.3606E+01 1.4001E+01 -7.2310E+00 H1 1499 1.008000 0.423800 1.3571E+01 1.3095E+01 -6.8095E+00 H2 1500 1.008000 0.423800 1.4452E+01 1.4461E+01 -6.9617E+00 O6 1501 15.999400 -0.847600 1.7251E+01 1.7388E+01 4.4941E+00 H1 1502 1.008000 0.423800 1.7917E+01 1.7665E+01 5.1863E+00 H2 1503 1.008000 0.423800 1.6344E+01 1.7721E+01 4.7532E+00 O6 1504 15.999400 -0.847600 -3.0195E+00 1.0809E+01 5.9379E+00 H1 1505 1.008000 0.423800 -2.3250E+00 1.0833E+01 6.6569E+00 H2 1506 1.008000 0.423800 -2.7457E+00 1.1413E+01 5.1897E+00 O6 1507 15.999400 -0.847600 -1.4032E+01 1.5940E+01 -1.1452E+01 H1 1508 1.008000 0.423800 -1.4772E+01 1.6607E+01 -1.1359E+01 H2 1509 1.008000 0.423800 -1.3659E+01 1.5983E+01 -1.2379E+01 O6 1510 15.999400 -0.847600 -6.2613E+00 9.9228E+00 2.2792E+00 H1 1511 1.008000 0.423800 -6.9045E+00 9.9064E+00 1.5137E+00 H2 1512 1.008000 0.423800 -6.0078E+00 1.0869E+01 2.4813E+00 O6 1513 15.999400 -0.847600 8.6800E+00 -1.6608E+01 2.9321E+00 H1 1514 1.008000 0.423800 8.3245E+00 -1.7138E+01 3.7020E+00 H2 1515 1.008000 0.423800 9.6789E+00 -1.6655E+01 2.9281E+00 O6 1516 15.999400 -0.847600 5.1790E+00 -8.1186E+00 1.1855E+00 H1 1517 1.008000 0.423800 5.1203E+00 -9.0968E+00 1.3851E+00 H2 1518 1.008000 0.423800 4.2619E+00 -7.7573E+00 1.0173E+00 O6 1519 15.999400 -0.847600 1.4042E+01 -8.4439E+00 -1.3367E+01 H1 1520 1.008000 0.423800 1.4170E+01 -7.4703E+00 -1.3556E+01 H2 1521 1.008000 0.423800 1.4327E+01 -8.9781E+00 -1.4163E+01 O6 1522 15.999400 -0.847600 -1.8572E+01 1.6190E+01 -6.1034E+00 H1 1523 1.008000 0.423800 -1.7953E+01 1.6460E+01 -6.8409E+00 H2 1524 1.008000 0.423800 -1.8106E+01 1.6290E+01 -5.2241E+00 O6 1525 15.999400 -0.847600 -1.6547E+01 -9.5867E+00 1.9510E+01 H1 1526 1.008000 0.423800 -1.6342E+01 -8.6408E+00 -1.9336E+01 H2 1527 1.008000 0.423800 -1.6999E+01 -9.6041E+00 1.8618E+01 O6 1528 15.999400 -0.847600 7.8700E+00 1.4013E+01 1.5391E+01 H1 1529 1.008000 0.423800 7.4569E+00 1.3505E+01 1.6147E+01 H2 1530 1.008000 0.423800 7.3969E+00 1.4886E+01 1.5278E+01 O6 1531 15.999400 -0.847600 -1.1105E+00 1.1459E+01 -1.6451E-01 H1 1532 1.008000 0.423800 -6.1674E-01 1.1464E+01 7.0507E-01 H2 1533 1.008000 0.423800 -1.2877E+00 1.2401E+01 -4.5187E-01 O6 1534 15.999400 -0.847600 -1.0356E+01 1.4704E+01 -8.7582E+00 H1 1535 1.008000 0.423800 -1.0138E+01 1.4045E+01 -8.0380E+00 H2 1536 1.008000 0.423800 -9.5170E+00 1.4964E+01 -9.2362E+00 O6 1537 15.999400 -0.847600 1.5254E+01 -1.6791E+01 5.1213E+00 H1 1538 1.008000 0.423800 1.5142E+01 -1.6279E+01 5.9734E+00 H2 1539 1.008000 0.423800 1.4393E+01 -1.7244E+01 4.8895E+00 O6 1540 15.999400 -0.847600 1.0145E+01 -1.9008E+01 1.3850E+01 H1 1541 1.008000 0.423800 1.0874E+01 -1.8695E+01 1.4458E+01 H2 1542 1.008000 0.423800 1.0003E+01 1.9108E+01 1.3979E+01 O6 1543 15.999400 -0.847600 1.0652E+01 1.4278E+01 1.4589E+01 H1 1544 1.008000 0.423800 9.7112E+00 1.4016E+01 1.4803E+01 H2 1545 1.008000 0.423800 1.1164E+01 1.4406E+01 1.5439E+01 O6 1546 15.999400 -0.847600 7.7644E+00 3.9939E+00 -6.9734E+00 H1 1547 1.008000 0.423800 7.7333E+00 4.4374E+00 -6.0776E+00 H2 1548 1.008000 0.423800 6.8375E+00 3.7456E+00 -7.2547E+00 O6 1549 15.999400 -0.847600 -1.9032E+01 1.5344E+01 4.6355E+00 H1 1550 1.008000 0.423800 1.9401E+01 1.6024E+01 4.9452E+00 H2 1551 1.008000 0.423800 -1.9045E+01 1.4559E+01 5.2542E+00 O6 1552 15.999400 -0.847600 -7.6327E+00 1.2436E+01 -1.3076E+01 H1 1553 1.008000 0.423800 -7.5102E+00 1.3410E+01 -1.2888E+01 H2 1554 1.008000 0.423800 -7.8247E+00 1.1953E+01 -1.2222E+01 O6 1555 15.999400 -0.847600 6.6154E+00 -1.7181E+01 -1.6389E+00 H1 1556 1.008000 0.423800 6.5244E+00 -1.6884E+01 -2.5894E+00 H2 1557 1.008000 0.423800 7.3204E+00 -1.6636E+01 -1.1853E+00 O6 1558 15.999400 -0.847600 1.1847E+01 -1.4991E+01 7.2617E+00 H1 1559 1.008000 0.423800 1.2430E+01 -1.4954E+01 8.0734E+00 H2 1560 1.008000 0.423800 1.1136E+01 -1.4292E+01 7.3299E+00 O6 1561 15.999400 -0.847600 1.6948E+01 4.0261E-01 1.3455E+00 H1 1562 1.008000 0.423800 1.6087E+01 3.0848E-01 8.4485E-01 H2 1563 1.008000 0.423800 1.7315E+01 1.3222E+00 1.2067E+00 O6 1564 15.999400 -0.847600 -5.3687E+00 5.3277E+00 -1.2918E+01 H1 1565 1.008000 0.423800 -5.6261E+00 6.0940E+00 -1.2329E+01 H2 1566 1.008000 0.423800 -5.9490E+00 4.5397E+00 -1.2712E+01 O6 1567 15.999400 -0.847600 -6.5606E+00 -1.2458E+01 -1.3757E+01 H1 1568 1.008000 0.423800 -7.4044E+00 -1.2494E+01 -1.3222E+01 H2 1569 1.008000 0.423800 -6.5523E+00 -1.3209E+01 -1.4417E+01 O6 1570 15.999400 -0.847600 -8.9615E+00 -4.3134E+00 -9.6642E+00 H1 1571 1.008000 0.423800 -8.1217E+00 -3.7813E+00 -9.7726E+00 H2 1572 1.008000 0.423800 -8.9948E+00 -4.6991E+00 -8.7422E+00 O6 1573 15.999400 -0.847600 -1.2324E+01 8.7486E-01 -1.8398E+01 H1 1574 1.008000 0.423800 -1.2276E+01 1.1054E+00 -1.7426E+01 H2 1575 1.008000 0.423800 -1.1732E+01 9.0473E-02 -1.8584E+01 O6 1576 15.999400 -0.847600 1.1905E+01 -1.1093E+01 1.9310E+01 H1 1577 1.008000 0.423800 1.1539E+01 -1.1996E+01 1.9535E+01 H2 1578 1.008000 0.423800 1.1347E+01 -1.0389E+01 -1.9350E+01 O6 1579 15.999400 -0.847600 -1.7087E+01 -6.0600E+00 5.8633E+00 H1 1580 1.008000 0.423800 -1.7321E+01 -5.3190E+00 6.4928E+00 H2 1581 1.008000 0.423800 -1.6206E+01 -6.4530E+00 6.1240E+00 O6 1582 15.999400 -0.847600 -1.6198E+01 -8.1501E+00 9.5420E+00 H1 1583 1.008000 0.423800 -1.5893E+01 -8.3062E+00 1.0481E+01 H2 1584 1.008000 0.423800 -1.5653E+01 -8.7090E+00 8.9173E+00 O6 1585 15.999400 -0.847600 -2.2916E-01 -1.0707E+01 1.7566E+01 H1 1586 1.008000 0.423800 -7.3449E-01 -1.0639E+01 1.8426E+01 H2 1587 1.008000 0.423800 3.7397E-01 -1.1504E+01 1.7596E+01 O6 1588 15.999400 -0.847600 1.5518E+01 4.2822E+00 1.1562E+00 H1 1589 1.008000 0.423800 1.6282E+01 3.7906E+00 7.3914E-01 H2 1590 1.008000 0.423800 1.4927E+01 3.6340E+00 1.6367E+00 O6 1591 15.999400 -0.847600 -8.1013E+00 -1.7399E+01 -9.5256E+00 H1 1592 1.008000 0.423800 -7.1466E+00 -1.7658E+01 -9.3794E+00 H2 1593 1.008000 0.423800 -8.6496E+00 -1.7690E+01 -8.7417E+00 O6 1594 15.999400 -0.847600 -4.5644E+00 6.9802E+00 1.1675E+01 H1 1595 1.008000 0.423800 -5.2011E+00 6.2918E+00 1.1328E+01 H2 1596 1.008000 0.423800 -4.1342E+00 7.4540E+00 1.0907E+01 O6 1597 15.999400 -0.847600 1.2935E+01 -2.5177E-01 8.0711E+00 H1 1598 1.008000 0.423800 1.3527E+01 -3.4949E-01 7.2713E+00 H2 1599 1.008000 0.423800 1.2017E+01 1.4598E-02 7.7758E+00 O6 1600 15.999400 -0.847600 8.7217E+00 -8.4481E-02 1.6001E+01 H1 1601 1.008000 0.423800 7.7760E+00 -3.7397E-01 1.6149E+01 H2 1602 1.008000 0.423800 8.8117E+00 8.8627E-01 1.6224E+01 O6 1603 15.999400 -0.847600 -1.8047E+01 -6.4462E+00 -8.7850E-02 H1 1604 1.008000 0.423800 -1.8642E+01 -5.7571E+00 3.2585E-01 H2 1605 1.008000 0.423800 -1.8027E+01 -6.3174E+00 -1.0793E+00 O6 1606 15.999400 -0.847600 -2.8907E+00 1.2259E+01 3.7152E+00 H1 1607 1.008000 0.423800 -3.8178E+00 1.2131E+01 3.3629E+00 H2 1608 1.008000 0.423800 -2.4297E+00 1.2973E+01 3.1887E+00 O6 1609 15.999400 -0.847600 -1.3547E+01 5.3342E+00 6.7936E+00 H1 1610 1.008000 0.423800 -1.4540E+01 5.3224E+00 6.9100E+00 H2 1611 1.008000 0.423800 -1.3236E+01 6.2774E+00 6.6767E+00 O6 1612 15.999400 -0.847600 -9.1180E-01 -1.0268E+01 -5.5004E+00 H1 1613 1.008000 0.423800 -7.2404E-02 -1.0742E+01 -5.7673E+00 H2 1614 1.008000 0.423800 -7.0676E-01 -9.6083E+00 -4.7775E+00 O6 1615 15.999400 -0.847600 2.3539E+00 1.5876E+01 1.8134E+01 H1 1616 1.008000 0.423800 2.2992E+00 1.5178E+01 1.8848E+01 H2 1617 1.008000 0.423800 3.0142E+00 1.5591E+01 1.7439E+01 O6 1618 15.999400 -0.847600 9.3710E+00 5.9196E+00 -8.6512E-01 H1 1619 1.008000 0.423800 1.0342E+01 5.7048E+00 -7.6444E-01 H2 1620 1.008000 0.423800 8.8270E+00 5.1050E+00 -6.6388E-01 O6 1621 15.999400 -0.847600 -7.4064E+00 1.5191E+01 -1.2620E+01 H1 1622 1.008000 0.423800 -6.6304E+00 1.5783E+01 -1.2838E+01 H2 1623 1.008000 0.423800 -8.2588E+00 1.5661E+01 -1.2848E+01 O6 1624 15.999400 -0.847600 -3.5619E+00 1.0087E+01 -1.6953E+01 H1 1625 1.008000 0.423800 -3.1779E+00 1.0385E+01 -1.6079E+01 H2 1626 1.008000 0.423800 -2.8193E+00 9.8787E+00 -1.7589E+01 O6 1627 15.999400 -0.847600 7.3667E+00 3.7883E+00 1.3929E+01 H1 1628 1.008000 0.423800 6.9676E+00 4.0783E+00 1.4799E+01 H2 1629 1.008000 0.423800 7.5565E+00 4.5920E+00 1.3365E+01 O6 1630 15.999400 -0.847600 -6.2018E+00 -7.7743E+00 -1.7182E+01 H1 1631 1.008000 0.423800 -7.1955E+00 -7.6803E+00 -1.7120E+01 H2 1632 1.008000 0.423800 -5.9472E+00 -8.0084E+00 -1.8120E+01 O6 1633 15.999400 -0.847600 -1.4923E+00 4.0860E+00 1.8386E+01 H1 1634 1.008000 0.423800 -2.1066E+00 4.8691E+00 1.8483E+01 H2 1635 1.008000 0.423800 -1.9931E+00 3.3166E+00 1.7989E+01 O6 1636 15.999400 -0.847600 -9.7822E+00 -1.1473E+01 -1.3838E+01 H1 1637 1.008000 0.423800 -1.0573E+01 -1.1289E+01 -1.4423E+01 H2 1638 1.008000 0.423800 -9.6643E+00 -1.2461E+01 -1.3738E+01 O6 1639 15.999400 -0.847600 -2.0328E+00 -1.4800E+01 1.5957E+00 H1 1640 1.008000 0.423800 -2.9572E+00 -1.4683E+01 1.2327E+00 H2 1641 1.008000 0.423800 -1.7646E+00 -1.5760E+01 1.5202E+00 O6 1642 15.999400 -0.847600 -2.3549E-01 6.3629E-01 -1.8797E+01 H1 1643 1.008000 0.423800 -2.5952E-01 4.1688E-01 1.9325E+01 H2 1644 1.008000 0.423800 2.4836E-01 1.5009E+00 -1.8662E+01 O6 1645 15.999400 -0.847600 1.7371E+01 1.8255E+01 -9.6887E+00 H1 1646 1.008000 0.423800 1.8170E+01 1.7661E+01 -9.7822E+00 H2 1647 1.008000 0.423800 1.6988E+01 1.8443E+01 -1.0593E+01 O6 1648 15.999400 -0.847600 -1.3344E+01 -8.4297E+00 -1.5636E+01 H1 1649 1.008000 0.423800 -1.3372E+01 -7.4608E+00 -1.5390E+01 H2 1650 1.008000 0.423800 -1.4216E+01 -8.6951E+00 -1.6046E+01 O6 1651 15.999400 -0.847600 -3.3061E+00 9.1210E+00 1.0171E+01 H1 1652 1.008000 0.423800 -2.3644E+00 9.4574E+00 1.0181E+01 H2 1653 1.008000 0.423800 -3.9350E+00 9.8867E+00 1.0305E+01 O6 1654 15.999400 -0.847600 -1.7067E+01 -5.2124E+00 1.2314E+01 H1 1655 1.008000 0.423800 -1.7497E+01 -4.3306E+00 1.2508E+01 H2 1656 1.008000 0.423800 -1.6614E+01 -5.1734E+00 1.1423E+01 O6 1657 15.999400 -0.847600 -2.8893E+00 4.9408E+00 -1.2185E+01 H1 1658 1.008000 0.423800 -3.8529E+00 5.1391E+00 -1.2364E+01 H2 1659 1.008000 0.423800 -2.3537E+00 5.7803E+00 -1.2276E+01 O6 1660 15.999400 -0.847600 -1.6729E+01 -1.5517E+01 8.5891E+00 H1 1661 1.008000 0.423800 -1.6083E+01 -1.4772E+01 8.7552E+00 H2 1662 1.008000 0.423800 -1.6292E+01 -1.6391E+01 8.8047E+00 O6 1663 15.999400 -0.847600 8.9133E-01 1.2899E+01 -8.7964E+00 H1 1664 1.008000 0.423800 4.2042E-01 1.2033E+01 -8.6289E+00 H2 1665 1.008000 0.423800 1.8625E+00 1.2725E+01 -8.9586E+00 O6 1666 15.999400 -0.847600 1.7160E+01 1.3031E+01 1.2384E+01 H1 1667 1.008000 0.423800 1.7398E+01 1.2306E+01 1.3030E+01 H2 1668 1.008000 0.423800 1.7932E+01 1.3199E+01 1.1772E+01 O6 1669 15.999400 -0.847600 -1.3460E+01 -1.8768E+01 5.1760E+00 H1 1670 1.008000 0.423800 -1.3200E+01 -1.8272E+01 4.3474E+00 H2 1671 1.008000 0.423800 -1.4028E+01 1.9544E+01 4.9300E+00 O6 1672 15.999400 -0.847600 -3.4412E-01 -3.4464E+00 7.0409E+00 H1 1673 1.008000 0.423800 -8.0505E-01 -4.3337E+00 7.0608E+00 H2 1674 1.008000 0.423800 -1.0038E+00 -2.7334E+00 6.8033E+00 O6 1675 15.999400 -0.847600 6.3590E+00 4.1367E+00 1.6327E+01 H1 1676 1.008000 0.423800 5.5949E+00 4.7792E+00 1.6269E+01 H2 1677 1.008000 0.423800 6.7483E+00 4.1646E+00 1.7248E+01 O6 1678 15.999400 -0.847600 1.5297E+01 1.3675E+01 -1.7082E+01 H1 1679 1.008000 0.423800 1.4692E+01 1.3114E+01 -1.7648E+01 H2 1680 1.008000 0.423800 1.5478E+01 1.3204E+01 -1.6219E+01 O6 1681 15.999400 -0.847600 -6.8110E+00 1.8656E+01 -1.0636E+00 H1 1682 1.008000 0.423800 -6.3811E+00 1.9143E+01 -3.0321E-01 H2 1683 1.008000 0.423800 -7.1679E+00 1.7780E+01 -7.3924E-01 O6 1684 15.999400 -0.847600 -1.8168E+01 -7.0607E+00 -8.1033E+00 H1 1685 1.008000 0.423800 -1.7444E+01 -7.7245E+00 -7.9136E+00 H2 1686 1.008000 0.423800 -1.9003E+01 -7.3327E+00 -7.6258E+00 O6 1687 15.999400 -0.847600 5.8668E+00 4.5550E+00 3.8873E+00 H1 1688 1.008000 0.423800 6.8442E+00 4.6751E+00 3.7133E+00 H2 1689 1.008000 0.423800 5.6436E+00 4.9109E+00 4.7948E+00 O6 1690 15.999400 -0.847600 1.2388E+00 1.6957E+01 -1.3823E+01 H1 1691 1.008000 0.423800 1.2592E+00 1.6283E+01 -1.3084E+01 H2 1692 1.008000 0.423800 2.1474E+00 1.7361E+01 -1.3931E+01 O6 1693 15.999400 -0.847600 1.6920E+01 -1.4893E+01 1.6613E+00 H1 1694 1.008000 0.423800 1.7006E+01 -1.4014E+01 2.1306E+00 H2 1695 1.008000 0.423800 1.7194E+01 -1.5629E+01 2.2803E+00 O6 1696 15.999400 -0.847600 -1.8587E+01 1.9288E+01 -1.1802E+01 H1 1697 1.008000 0.423800 -1.8959E+01 1.8529E+01 -1.1268E+01 H2 1698 1.008000 0.423800 -1.9336E+01 -1.9239E+01 -1.2136E+01 O6 1699 15.999400 -0.847600 -9.3865E+00 1.7108E+01 -1.3546E+01 H1 1700 1.008000 0.423800 -9.9119E+00 1.7875E+01 -1.3179E+01 H2 1701 1.008000 0.423800 -9.5467E+00 1.7034E+01 -1.4531E+01 O6 1702 15.999400 -0.847600 7.7816E+00 1.4327E+01 -1.4752E+01 H1 1703 1.008000 0.423800 8.6734E+00 1.4736E+01 -1.4946E+01 H2 1704 1.008000 0.423800 7.9093E+00 1.3470E+01 -1.4253E+01 O6 1705 15.999400 -0.847600 1.3060E+01 -3.7036E+00 1.4937E+01 H1 1706 1.008000 0.423800 1.3586E+01 -4.5481E+00 1.5038E+01 H2 1707 1.008000 0.423800 1.2788E+01 -3.5921E+00 1.3981E+01 O6 1708 15.999400 -0.847600 -1.8667E+01 1.0807E+01 9.5124E+00 H1 1709 1.008000 0.423800 -1.8457E+01 1.0324E+01 8.6621E+00 H2 1710 1.008000 0.423800 -1.9262E+01 1.0237E+01 1.0080E+01 O6 1711 15.999400 -0.847600 1.7813E+01 1.3750E+01 8.3004E+00 H1 1712 1.008000 0.423800 1.6835E+01 1.3838E+01 8.1080E+00 H2 1713 1.008000 0.423800 1.8311E+01 1.3622E+01 7.4429E+00 O6 1714 15.999400 -0.847600 1.8134E+01 -1.3438E+01 -4.2072E+00 H1 1715 1.008000 0.423800 1.8690E+01 -1.4190E+01 -3.8534E+00 H2 1716 1.008000 0.423800 1.8651E+01 -1.2584E+01 -4.1459E+00 O6 1717 15.999400 -0.847600 9.5760E+00 -1.0683E+00 1.8552E+01 H1 1718 1.008000 0.423800 9.1105E+00 -8.6085E-01 1.7691E+01 H2 1719 1.008000 0.423800 1.0509E+01 -7.1059E-01 1.8520E+01 O6 1720 15.999400 -0.847600 -1.2663E+01 1.2784E+01 1.9732E+00 H1 1721 1.008000 0.423800 -1.3633E+01 1.2937E+01 1.7853E+00 H2 1722 1.008000 0.423800 -1.2539E+01 1.1874E+01 2.3691E+00 O6 1723 15.999400 -0.847600 1.2834E+01 1.3190E+01 1.5747E+01 H1 1724 1.008000 0.423800 1.2697E+01 1.2200E+01 1.5802E+01 H2 1725 1.008000 0.423800 1.3505E+01 1.3395E+01 1.5035E+01 O6 1726 15.999400 -0.847600 -6.8222E+00 -3.4427E+00 1.0210E+01 H1 1727 1.008000 0.423800 -6.5267E+00 -2.5287E+00 1.0488E+01 H2 1728 1.008000 0.423800 -6.1423E+00 -3.8394E+00 9.5934E+00 O6 1729 15.999400 -0.847600 1.2950E+01 1.9345E+01 1.9133E+01 H1 1730 1.008000 0.423800 1.2362E+01 1.8713E+01 1.8627E+01 H2 1731 1.008000 0.423800 1.2451E+01 -1.9391E+01 -1.9177E+01 O6 1732 15.999400 -0.847600 -6.9166E+00 3.5008E-01 -1.9283E+01 H1 1733 1.008000 0.423800 -7.8913E+00 5.7065E-01 -1.9320E+01 H2 1734 1.008000 0.423800 -6.7306E+00 -2.0133E-01 -1.8470E+01 O6 1735 15.999400 -0.847600 -1.9134E+01 1.2326E+01 1.3606E+00 H1 1736 1.008000 0.423800 -1.9210E+01 1.3239E+01 9.5918E-01 H2 1737 1.008000 0.423800 -1.8187E+01 1.2010E+01 1.2913E+00 O6 1738 15.999400 -0.847600 -7.7925E+00 -1.6630E+01 -1.6162E+01 H1 1739 1.008000 0.423800 -7.3473E+00 -1.7344E+01 -1.5621E+01 H2 1740 1.008000 0.423800 -8.7247E+00 -1.6915E+01 -1.6386E+01 O6 1741 15.999400 -0.847600 1.8456E+00 -7.7747E+00 -1.4307E+01 H1 1742 1.008000 0.423800 8.9558E-01 -7.7793E+00 -1.4619E+01 H2 1743 1.008000 0.423800 2.4368E+00 -7.4456E+00 -1.5044E+01 O6 1744 15.999400 -0.847600 1.8246E+01 -1.7418E+01 1.8665E+01 H1 1745 1.008000 0.423800 1.9206E+01 -1.7698E+01 1.8664E+01 H2 1746 1.008000 0.423800 1.8110E+01 -1.6695E+01 1.9342E+01 O6 1747 15.999400 -0.847600 1.2595E+01 7.8707E+00 1.7651E+01 H1 1748 1.008000 0.423800 1.1996E+01 7.1029E+00 1.7423E+01 H2 1749 1.008000 0.423800 1.2631E+01 8.5059E+00 1.6880E+01 O6 1750 15.999400 -0.847600 1.3406E+00 4.8846E+00 1.1934E+01 H1 1751 1.008000 0.423800 2.2888E+00 4.9304E+00 1.1619E+01 H2 1752 1.008000 0.423800 8.6515E-01 4.1481E+00 1.1453E+01 O6 1753 15.999400 -0.847600 -1.8593E+01 -7.3506E+00 -1.3771E+01 H1 1754 1.008000 0.423800 -1.8322E+01 -7.8225E+00 -1.2932E+01 H2 1755 1.008000 0.423800 -1.9371E+01 -7.8244E+00 -1.4184E+01 O6 1756 15.999400 -0.847600 -5.8067E+00 9.2611E+00 -1.2703E+01 H1 1757 1.008000 0.423800 -6.6148E+00 9.2365E+00 -1.3292E+01 H2 1758 1.008000 0.423800 -5.8342E+00 8.4901E+00 -1.2067E+01 O6 1759 15.999400 -0.847600 -7.3418E+00 -1.8672E+01 1.3953E+00 H1 1760 1.008000 0.423800 -7.0043E+00 -1.7738E+01 1.5135E+00 H2 1761 1.008000 0.423800 -7.2124E+00 -1.9183E+01 2.2450E+00 O6 1762 15.999400 -0.847600 1.6917E+01 4.6909E+00 1.3474E+01 H1 1763 1.008000 0.423800 1.7637E+01 4.3952E+00 1.2846E+01 H2 1764 1.008000 0.423800 1.7291E+01 5.3545E+00 1.4121E+01 O6 1765 15.999400 -0.847600 -5.9983E+00 5.7755E+00 1.7656E+01 H1 1766 1.008000 0.423800 -6.5905E+00 5.8225E+00 1.8460E+01 H2 1767 1.008000 0.423800 -6.4535E+00 6.2141E+00 1.6881E+01 O6 1768 15.999400 -0.847600 8.4729E+00 1.6555E+01 -1.9006E+01 H1 1769 1.008000 0.423800 8.6013E+00 1.7532E+01 -1.8835E+01 H2 1770 1.008000 0.423800 9.2932E+00 1.6057E+01 -1.8724E+01 O6 1771 15.999400 -0.847600 5.4887E+00 -8.6420E+00 9.0933E+00 H1 1772 1.008000 0.423800 4.5811E+00 -8.9478E+00 9.3810E+00 H2 1773 1.008000 0.423800 6.0902E+00 -8.5877E+00 9.8902E+00 O6 1774 15.999400 -0.847600 -6.1989E+00 1.1154E+01 1.5208E+01 H1 1775 1.008000 0.423800 -5.8233E+00 1.2032E+01 1.5507E+01 H2 1776 1.008000 0.423800 -5.9860E+00 1.0452E+01 1.5887E+01 O6 1777 15.999400 -0.847600 -1.1940E+01 -5.3951E+00 -9.8206E+00 H1 1778 1.008000 0.423800 -1.1255E+01 -4.7254E+00 -9.5342E+00 H2 1779 1.008000 0.423800 -1.1492E+01 -6.2666E+00 -1.0019E+01 O6 1780 15.999400 -0.847600 5.6112E-01 9.1851E+00 -1.0801E+01 H1 1781 1.008000 0.423800 6.9590E-01 9.5454E+00 -1.1724E+01 H2 1782 1.008000 0.423800 -3.8688E-01 9.3347E+00 -1.0520E+01 O6 1783 15.999400 -0.847600 -2.1231E-01 1.6963E+01 1.5714E+01 H1 1784 1.008000 0.423800 -1.2039E+00 1.6862E+01 1.5632E+01 H2 1785 1.008000 0.423800 8.1595E-03 1.7385E+01 1.6594E+01 O6 1786 15.999400 -0.847600 -1.4605E+01 1.1276E+01 -3.0133E+00 H1 1787 1.008000 0.423800 -1.4020E+01 1.1277E+01 -3.8241E+00 H2 1788 1.008000 0.423800 -1.4192E+01 1.0704E+01 -2.3047E+00 O6 1789 15.999400 -0.847600 7.1452E+00 -1.2339E+01 -1.8431E+01 H1 1790 1.008000 0.423800 7.7641E+00 -1.2064E+01 -1.7696E+01 H2 1791 1.008000 0.423800 7.6794E+00 -1.2621E+01 -1.9228E+01 O6 1792 15.999400 -0.847600 -1.0810E+01 1.0092E+01 -1.0631E+01 H1 1793 1.008000 0.423800 -1.1290E+01 1.0911E+01 -1.0315E+01 H2 1794 1.008000 0.423800 -1.1323E+01 9.6741E+00 -1.1381E+01 O6 1795 15.999400 -0.847600 1.4019E+01 -1.9978E+00 -1.0382E+01 H1 1796 1.008000 0.423800 1.4930E+01 -1.5854E+00 -1.0391E+01 H2 1797 1.008000 0.423800 1.4091E+01 -2.9592E+00 -1.0117E+01 O6 1798 15.999400 -0.847600 -4.2428E+00 3.3354E-01 9.9352E+00 H1 1799 1.008000 0.423800 -4.3682E+00 1.5545E-02 1.0875E+01 H2 1800 1.008000 0.423800 -4.6270E+00 -3.3838E-01 9.3020E+00 O6 1801 15.999400 -0.847600 2.2786E+00 -1.8997E+01 -1.2283E+01 H1 1802 1.008000 0.423800 2.1420E+00 -1.8131E+01 -1.1802E+01 H2 1803 1.008000 0.423800 1.8090E+00 1.9368E+01 -1.1791E+01 O6 1804 15.999400 -0.847600 2.1256E+00 -1.4032E+01 -1.6952E+01 H1 1805 1.008000 0.423800 2.2122E+00 -1.4664E+01 -1.6182E+01 H2 1806 1.008000 0.423800 1.2934E+00 -1.4244E+01 -1.7464E+01 O6 1807 15.999400 -0.847600 -4.1039E+00 -6.7329E+00 8.2392E-01 H1 1808 1.008000 0.423800 -4.2427E+00 -7.5036E+00 2.0191E-01 H2 1809 1.008000 0.423800 -4.4080E+00 -5.8890E+00 3.8199E-01 O6 1810 15.999400 -0.847600 4.8076E+00 1.5190E+01 1.8126E+00 H1 1811 1.008000 0.423800 5.5167E+00 1.5472E+01 1.1664E+00 H2 1812 1.008000 0.423800 4.2315E+00 1.4490E+01 1.3907E+00 O6 1813 15.999400 -0.847600 -1.4442E+01 -6.9977E+00 6.5660E+00 H1 1814 1.008000 0.423800 -1.4466E+01 -7.9760E+00 6.7717E+00 H2 1815 1.008000 0.423800 -1.3723E+01 -6.5611E+00 7.1065E+00 O6 1816 15.999400 -0.847600 -5.7340E-02 5.8508E+00 5.1484E-01 H1 1817 1.008000 0.423800 5.5697E-01 6.3042E+00 1.1606E+00 H2 1818 1.008000 0.423800 3.9582E-01 5.0450E+00 1.3348E-01 O6 1819 15.999400 -0.847600 5.7453E+00 3.5147E+00 -1.5469E+01 H1 1820 1.008000 0.423800 5.7124E+00 2.5245E+00 -1.5333E+01 H2 1821 1.008000 0.423800 4.8920E+00 3.8219E+00 -1.5890E+01 O6 1822 15.999400 -0.847600 1.4587E+01 6.5560E-01 -1.1972E+01 H1 1823 1.008000 0.423800 1.5356E+01 1.8047E-01 -1.1544E+01 H2 1824 1.008000 0.423800 1.4883E+01 1.0555E+00 -1.2839E+01 O6 1825 15.999400 -0.847600 8.2161E+00 5.9176E+00 1.2167E+01 H1 1826 1.008000 0.423800 7.8470E+00 6.3368E+00 1.2997E+01 H2 1827 1.008000 0.423800 7.6168E+00 6.1249E+00 1.1394E+01 O6 1828 15.999400 -0.847600 -2.7244E+00 -2.1975E+00 1.4902E+00 H1 1829 1.008000 0.423800 -2.0518E+00 -2.0088E+00 7.7459E-01 H2 1830 1.008000 0.423800 -2.8638E+00 -3.1850E+00 1.5644E+00 O6 1831 15.999400 -0.847600 -1.7370E+01 5.8438E+00 1.7738E+01 H1 1832 1.008000 0.423800 -1.6555E+01 5.8777E+00 1.8316E+01 H2 1833 1.008000 0.423800 -1.8156E+01 6.1898E+00 1.8250E+01 O6 1834 15.999400 -0.847600 4.4914E+00 1.7179E+01 8.8778E+00 H1 1835 1.008000 0.423800 4.2802E+00 1.8034E+01 9.3508E+00 H2 1836 1.008000 0.423800 5.2449E+00 1.6717E+01 9.3453E+00 O6 1837 15.999400 -0.847600 -1.0881E+01 1.9330E+01 -1.2597E+01 H1 1838 1.008000 0.423800 -1.1752E+01 -1.9487E+01 -1.2193E+01 H2 1839 1.008000 0.423800 -1.0129E+01 -1.9339E+01 -1.2097E+01 O6 1840 15.999400 -0.847600 -1.9686E+00 8.8946E+00 -9.6852E+00 H1 1841 1.008000 0.423800 -1.4598E+00 8.1684E+00 -9.2228E+00 H2 1842 1.008000 0.423800 -2.8780E+00 8.5595E+00 -9.9316E+00 O6 1843 15.999400 -0.847600 8.3566E+00 5.4501E+00 4.3113E+00 H1 1844 1.008000 0.423800 8.9352E+00 5.5318E+00 5.1229E+00 H2 1845 1.008000 0.423800 7.9177E+00 6.3291E+00 4.1251E+00 O6 1846 15.999400 -0.847600 -1.7710E+01 9.4079E+00 1.9119E+01 H1 1847 1.008000 0.423800 -1.7622E+01 8.7577E+00 -1.9223E+01 H2 1848 1.008000 0.423800 -1.8668E+01 9.4638E+00 1.8837E+01 O6 1849 15.999400 -0.847600 -1.5380E+01 1.8755E+00 -8.7099E+00 H1 1850 1.008000 0.423800 -1.4575E+01 2.4682E+00 -8.7260E+00 H2 1851 1.008000 0.423800 -1.5461E+01 1.3985E+00 -9.5852E+00 O6 1852 15.999400 -0.847600 -1.5212E+01 4.3652E+00 -2.4942E+00 H1 1853 1.008000 0.423800 -1.4576E+01 3.7835E+00 -3.0013E+00 H2 1854 1.008000 0.423800 -1.6143E+01 4.0166E+00 -2.6042E+00 O6 1855 15.999400 -0.847600 1.5765E+01 -1.0894E+01 -5.4208E+00 H1 1856 1.008000 0.423800 1.6303E+01 -1.0051E+01 -5.4270E+00 H2 1857 1.008000 0.423800 1.5774E+01 -1.1288E+01 -4.5019E+00 O6 1858 15.999400 -0.847600 4.4486E+00 -1.0674E+01 6.0031E+00 H1 1859 1.008000 0.423800 3.7600E+00 -9.9604E+00 6.1332E+00 H2 1860 1.008000 0.423800 4.0117E+00 -1.1572E+01 6.0537E+00 O6 1861 15.999400 -0.847600 1.2434E+01 -1.8408E+01 1.5428E+01 H1 1862 1.008000 0.423800 1.2760E+01 -1.9300E+01 1.5117E+01 H2 1863 1.008000 0.423800 1.3211E+01 -1.7788E+01 1.5535E+01 O6 1864 15.999400 -0.847600 -1.1623E+01 1.0582E+01 5.5402E+00 H1 1865 1.008000 0.423800 -1.1580E+01 1.1576E+01 5.4413E+00 H2 1866 1.008000 0.423800 -1.1874E+01 1.0171E+01 4.6640E+00 O6 1867 15.999400 -0.847600 -8.3407E+00 4.7002E+00 1.5153E+01 H1 1868 1.008000 0.423800 -8.8965E+00 5.4517E+00 1.4797E+01 H2 1869 1.008000 0.423800 -7.3732E+00 4.8981E+00 1.4996E+01 O6 1870 15.999400 -0.847600 -4.7914E+00 -2.5397E-01 1.6018E+00 H1 1871 1.008000 0.423800 -4.8651E+00 -2.7551E-02 2.5731E+00 H2 1872 1.008000 0.423800 -4.2713E+00 -1.1014E+00 1.4957E+00 O6 1873 15.999400 -0.847600 -7.0696E+00 1.9158E+01 4.0884E+00 H1 1874 1.008000 0.423800 -7.8536E+00 1.8564E+01 3.9063E+00 H2 1875 1.008000 0.423800 -7.3390E+00 -1.9218E+01 4.7263E+00 O6 1876 15.999400 -0.847600 2.0743E+00 1.5805E+01 8.8933E+00 H1 1877 1.008000 0.423800 2.9649E+00 1.6256E+01 8.8351E+00 H2 1878 1.008000 0.423800 1.4292E+00 1.6402E+01 9.3710E+00 O6 1879 15.999400 -0.847600 -6.3983E+00 -2.2196E+00 3.7408E+00 H1 1880 1.008000 0.423800 -7.3855E+00 -2.3722E+00 3.6918E+00 H2 1881 1.008000 0.423800 -6.2128E+00 -1.2370E+00 3.7455E+00 O6 1882 15.999400 -0.847600 1.1956E+01 -8.2991E+00 -1.1233E+01 H1 1883 1.008000 0.423800 1.1300E+01 -9.0247E+00 -1.1440E+01 H2 1884 1.008000 0.423800 1.2673E+01 -8.2896E+00 -1.1930E+01 O6 1885 15.999400 -0.847600 -1.2562E+01 7.4774E-01 2.8233E+00 H1 1886 1.008000 0.423800 -1.2527E+01 -1.3193E-01 2.3490E+00 H2 1887 1.008000 0.423800 -1.2507E+01 1.4893E+00 2.1547E+00 O6 1888 15.999400 -0.847600 -1.0906E+01 -1.7148E+01 -1.1416E+01 H1 1889 1.008000 0.423800 -1.0142E+01 -1.6509E+01 -1.1505E+01 H2 1890 1.008000 0.423800 -1.0773E+01 -1.7714E+01 -1.0603E+01 O6 1891 15.999400 -0.847600 1.7750E+01 -6.0321E+00 7.5482E+00 H1 1892 1.008000 0.423800 1.7349E+01 -6.3746E+00 8.3977E+00 H2 1893 1.008000 0.423800 1.8182E+01 -6.7873E+00 7.0557E+00 O6 1894 15.999400 -0.847600 4.8229E-01 9.2707E+00 4.0109E+00 H1 1895 1.008000 0.423800 -4.3394E-01 9.1448E+00 4.3913E+00 H2 1896 1.008000 0.423800 1.0323E+00 9.8190E+00 4.6409E+00 O6 1897 15.999400 -0.847600 1.8718E+01 -2.1963E+00 8.3772E-01 H1 1898 1.008000 0.423800 1.9448E+01 -2.3464E+00 1.5049E+00 H2 1899 1.008000 0.423800 1.8400E+01 -1.2505E+00 8.9943E-01 O6 1900 15.999400 -0.847600 -1.5534E+01 -5.2781E+00 -1.1708E+01 H1 1901 1.008000 0.423800 -1.5914E+01 -5.1919E+00 -1.0787E+01 H2 1902 1.008000 0.423800 -1.6248E+01 -5.0852E+00 -1.2381E+01 O6 1903 15.999400 -0.847600 -9.9590E+00 -1.7868E+01 -1.7260E+01 H1 1904 1.008000 0.423800 -9.9252E+00 -1.8234E+01 -1.8190E+01 H2 1905 1.008000 0.423800 -1.0456E+01 -1.8504E+01 -1.6669E+01 O6 1906 15.999400 -0.847600 1.2733E+01 1.1078E+01 -9.9887E+00 H1 1907 1.008000 0.423800 1.3524E+01 1.0551E+01 -1.0296E+01 H2 1908 1.008000 0.423800 1.1920E+01 1.0784E+01 -1.0492E+01 O6 1909 15.999400 -0.847600 -2.8645E+00 -6.3871E+00 1.0469E+01 H1 1910 1.008000 0.423800 -2.7272E+00 -7.0273E+00 9.7136E+00 H2 1911 1.008000 0.423800 -2.0736E+00 -6.4185E+00 1.1081E+01 O6 1912 15.999400 -0.847600 -7.9850E+00 1.6228E+01 2.5738E+00 H1 1913 1.008000 0.423800 -8.3754E+00 1.6957E+01 2.0122E+00 H2 1914 1.008000 0.423800 -8.7138E+00 1.5613E+01 2.8748E+00 O6 1915 15.999400 -0.847600 1.4339E+01 -5.6452E+00 -1.9560E+00 H1 1916 1.008000 0.423800 1.3659E+01 -6.3401E+00 -2.1876E+00 H2 1917 1.008000 0.423800 1.4485E+01 -5.6385E+00 -9.6677E-01 O6 1918 15.999400 -0.847600 -1.3836E+01 9.7578E+00 -9.0955E-01 H1 1919 1.008000 0.423800 -1.4533E+01 9.0764E+00 -1.1342E+00 H2 1920 1.008000 0.423800 -1.3175E+01 9.3609E+00 -2.7331E-01 O6 1921 15.999400 -0.847600 -6.6218E+00 -1.1008E+00 -1.7185E+01 H1 1922 1.008000 0.423800 -7.2521E+00 -1.8426E+00 -1.6955E+01 H2 1923 1.008000 0.423800 -5.8772E+00 -1.0781E+00 -1.6517E+01 O6 1924 15.999400 -0.847600 2.5075E+00 1.0911E+01 -6.2576E+00 H1 1925 1.008000 0.423800 2.3652E+00 1.0369E+01 -7.0856E+00 H2 1926 1.008000 0.423800 1.9152E+00 1.1717E+01 -6.2810E+00 O6 1927 15.999400 -0.847600 1.4494E+01 1.6584E+01 1.2647E+01 H1 1928 1.008000 0.423800 1.5113E+01 1.6920E+01 1.1937E+01 H2 1929 1.008000 0.423800 1.4551E+01 1.5587E+01 1.2695E+01 O6 1930 15.999400 -0.847600 1.5164E+01 -1.7425E+01 -4.5438E+00 H1 1931 1.008000 0.423800 1.5381E+01 -1.8372E+01 -4.7817E+00 H2 1932 1.008000 0.423800 1.5183E+01 -1.6861E+01 -5.3695E+00 O6 1933 15.999400 -0.847600 -5.1362E+00 4.3617E+00 1.4157E+01 H1 1934 1.008000 0.423800 -4.4924E+00 3.7228E+00 1.3736E+01 H2 1935 1.008000 0.423800 -5.6351E+00 4.8516E+00 1.3442E+01 O6 1936 15.999400 -0.847600 1.4658E+01 -1.8403E+00 1.6776E+01 H1 1937 1.008000 0.423800 1.4049E+01 -2.5473E+00 1.6417E+01 H2 1938 1.008000 0.423800 1.5391E+01 -1.6667E+00 1.6117E+01 O6 1939 15.999400 -0.847600 3.9195E+00 -9.7065E+00 -7.3745E+00 H1 1940 1.008000 0.423800 4.1277E+00 -8.7928E+00 -7.0255E+00 H2 1941 1.008000 0.423800 3.2939E+00 -1.0169E+01 -6.7460E+00 O6 1942 15.999400 -0.847600 -4.0712E+00 -1.4499E+01 -1.7518E+01 H1 1943 1.008000 0.423800 -3.6045E+00 -1.3711E+01 -1.7920E+01 H2 1944 1.008000 0.423800 -3.4677E+00 -1.5295E+01 -1.7549E+01 O6 1945 15.999400 -0.847600 1.2505E+01 1.0363E+01 1.5869E+01 H1 1946 1.008000 0.423800 1.2824E+01 1.0186E+01 1.4938E+01 H2 1947 1.008000 0.423800 1.1526E+01 1.0168E+01 1.5928E+01 O6 1948 15.999400 -0.847600 -1.9315E+00 1.4094E+01 -5.6733E-01 H1 1949 1.008000 0.423800 -2.1905E+00 1.4552E+01 -1.4178E+00 H2 1950 1.008000 0.423800 -1.2336E+00 1.4634E+01 -9.7166E-02 O6 1951 15.999400 -0.847600 1.3158E+01 -1.2625E+01 1.7591E+01 H1 1952 1.008000 0.423800 1.3775E+01 -1.2263E+01 1.6893E+01 H2 1953 1.008000 0.423800 1.2800E+01 -1.1872E+01 1.8143E+01 O6 1954 15.999400 -0.847600 -1.5296E+01 -1.5467E-01 1.6872E-01 H1 1955 1.008000 0.423800 -1.4842E+01 7.3326E-01 9.5321E-02 H2 1956 1.008000 0.423800 -1.5907E+01 -2.8202E-01 -6.1249E-01 O6 1957 15.999400 -0.847600 -1.0333E+01 9.5779E-01 9.0758E+00 H1 1958 1.008000 0.423800 -1.0450E+01 8.4761E-01 8.0888E+00 H2 1959 1.008000 0.423800 -9.5019E+00 4.8474E-01 9.3677E+00 O6 1960 15.999400 -0.847600 -1.3919E+01 8.4355E+00 1.8231E+01 H1 1961 1.008000 0.423800 -1.3313E+01 8.8532E+00 1.8909E+01 H2 1962 1.008000 0.423800 -1.3883E+01 8.9628E+00 1.7382E+01 O6 1963 15.999400 -0.847600 1.5609E+01 1.2237E+01 -1.4712E+01 H1 1964 1.008000 0.423800 1.6516E+01 1.2323E+01 -1.4300E+01 H2 1965 1.008000 0.423800 1.5292E+01 1.1292E+01 -1.4626E+01 O6 1966 15.999400 -0.847600 1.0476E+01 -9.5481E+00 -4.6227E+00 H1 1967 1.008000 0.423800 1.0332E+01 -8.7250E+00 -5.1722E+00 H2 1968 1.008000 0.423800 1.0511E+01 -1.0347E+01 -5.2226E+00 O6 1969 15.999400 -0.847600 -1.5787E+01 7.0468E+00 -9.5575E+00 H1 1970 1.008000 0.423800 -1.6121E+01 7.3328E+00 -8.6592E+00 H2 1971 1.008000 0.423800 -1.4802E+01 7.2063E+00 -9.6131E+00 O6 1972 15.999400 -0.847600 -1.0707E+01 -1.3573E+00 -1.8593E+01 H1 1973 1.008000 0.423800 -1.0466E+01 -2.2362E+00 -1.9005E+01 H2 1974 1.008000 0.423800 -9.9978E+00 -6.8453E-01 -1.8805E+01 O6 1975 15.999400 -0.847600 -7.2599E-01 -5.6696E+00 -5.8554E+00 H1 1976 1.008000 0.423800 -1.3687E+00 -5.9199E+00 -6.5795E+00 H2 1977 1.008000 0.423800 -1.1801E+00 -5.7413E+00 -4.9673E+00 O6 1978 15.999400 -0.847600 1.6421E+01 7.1507E+00 -1.4497E+01 H1 1979 1.008000 0.423800 1.6627E+01 7.1488E+00 -1.3519E+01 H2 1980 1.008000 0.423800 1.5451E+01 7.3548E+00 -1.4633E+01 O6 1981 15.999400 -0.847600 -9.5428E+00 1.4293E+01 3.8482E+00 H1 1982 1.008000 0.423800 -9.0733E+00 1.3873E+01 4.6251E+00 H2 1983 1.008000 0.423800 -9.3814E+00 1.3746E+01 3.0265E+00 O6 1984 15.999400 -0.847600 1.4465E+00 9.7398E+00 -1.6715E+01 H1 1985 1.008000 0.423800 1.9388E+00 1.0372E+01 -1.6116E+01 H2 1986 1.008000 0.423800 5.6657E-01 1.0140E+01 -1.6970E+01 O6 1987 15.999400 -0.847600 -1.5213E+01 2.0438E+00 6.4203E+00 H1 1988 1.008000 0.423800 -1.5582E+01 2.4548E+00 5.5867E+00 H2 1989 1.008000 0.423800 -1.4251E+01 2.2981E+00 6.5194E+00 O6 1990 15.999400 -0.847600 1.5152E+01 1.4479E+01 1.6516E+01 H1 1991 1.008000 0.423800 1.4281E+01 1.3995E+01 1.6592E+01 H2 1992 1.008000 0.423800 1.5414E+01 1.4544E+01 1.5553E+01 O6 1993 15.999400 -0.847600 -1.6151E+01 -6.3068E-01 2.7716E+00 H1 1994 1.008000 0.423800 -1.5889E+01 -5.1782E-01 3.7301E+00 H2 1995 1.008000 0.423800 -1.5363E+01 -4.3876E-01 2.1863E+00 O6 1996 15.999400 -0.847600 -8.4670E+00 -7.0010E+00 -1.1986E+01 H1 1997 1.008000 0.423800 -8.7501E+00 -7.2524E+00 -1.1060E+01 H2 1998 1.008000 0.423800 -8.5781E+00 -7.7873E+00 -1.2594E+01 O6 1999 15.999400 -0.847600 -6.0959E+00 1.2165E+01 -1.5198E+01 H1 2000 1.008000 0.423800 -6.6998E+00 1.1857E+01 -1.5933E+01 H2 2001 1.008000 0.423800 -6.6016E+00 1.2180E+01 -1.4335E+01 O6 2002 15.999400 -0.847600 -1.7300E+01 -1.9497E+01 4.9924E+00 H1 2003 1.008000 0.423800 -1.6930E+01 -1.9146E+01 4.1320E+00 H2 2004 1.008000 0.423800 -1.8282E+01 -1.9313E+01 5.0328E+00 O6 2005 15.999400 -0.847600 -2.3893E+00 1.2296E+00 8.2632E+00 H1 2006 1.008000 0.423800 -2.3665E+00 2.2250E+00 8.1700E+00 H2 2007 1.008000 0.423800 -3.1448E+00 9.6834E-01 8.8639E+00 O6 2008 15.999400 -0.847600 1.3313E+01 -1.2037E+00 -1.5858E+01 H1 2009 1.008000 0.423800 1.3345E+01 -1.4723E+00 -1.4895E+01 H2 2010 1.008000 0.423800 1.4228E+01 -9.4059E-01 -1.6162E+01 O6 2011 15.999400 -0.847600 1.6254E+01 -2.9330E+00 9.3847E+00 H1 2012 1.008000 0.423800 1.5483E+01 -2.3376E+00 9.6126E+00 H2 2013 1.008000 0.423800 1.6860E+01 -3.0109E+00 1.0176E+01 O6 2014 15.999400 -0.847600 1.4716E+01 -1.4078E+01 1.5388E+01 H1 2015 1.008000 0.423800 1.3749E+01 -1.4331E+01 1.5367E+01 H2 2016 1.008000 0.423800 1.4806E+01 -1.3092E+01 1.5244E+01 O6 2017 15.999400 -0.847600 1.7249E+01 -1.2179E+01 1.5989E+01 H1 2018 1.008000 0.423800 1.7474E+01 -1.2792E+01 1.5232E+01 H2 2019 1.008000 0.423800 1.7928E+01 -1.2283E+01 1.6716E+01 O6 2020 15.999400 -0.847600 -6.9930E+00 3.8113E+00 4.4149E+00 H1 2021 1.008000 0.423800 -6.8121E+00 3.5133E+00 5.3522E+00 H2 2022 1.008000 0.423800 -6.1821E+00 4.2669E+00 4.0477E+00 O6 2023 15.999400 -0.847600 1.6028E+01 1.4944E+01 -6.4743E+00 H1 2024 1.008000 0.423800 1.6775E+01 1.4451E+01 -6.0280E+00 H2 2025 1.008000 0.423800 1.6313E+01 1.5884E+01 -6.6590E+00 O6 2026 15.999400 -0.847600 2.8293E+00 -5.1891E+00 2.7286E+00 H1 2027 1.008000 0.423800 3.6534E+00 -4.8592E+00 3.1892E+00 H2 2028 1.008000 0.423800 3.0533E+00 -5.4460E+00 1.7884E+00 O6 2029 15.999400 -0.847600 -1.2011E+01 4.1154E+00 3.7392E+00 H1 2030 1.008000 0.423800 -1.2519E+01 3.4759E+00 3.1623E+00 H2 2031 1.008000 0.423800 -1.1090E+01 3.7603E+00 3.8992E+00 O6 2032 15.999400 -0.847600 1.4746E+01 1.4396E+01 9.9260E+00 H1 2033 1.008000 0.423800 1.4614E+01 1.4507E+01 8.9409E+00 H2 2034 1.008000 0.423800 1.5723E+01 1.4425E+01 1.0137E+01 O6 2035 15.999400 -0.847600 6.2489E-01 6.2907E+00 1.6315E+01 H1 2036 1.008000 0.423800 -2.9970E-01 6.4751E+00 1.5982E+01 H2 2037 1.008000 0.423800 7.1917E-01 5.3152E+00 1.6514E+01 O6 2038 15.999400 -0.847600 -6.8674E+00 -1.6946E+01 -1.5113E+00 H1 2039 1.008000 0.423800 -6.8005E+00 -1.7932E+01 -1.3598E+00 H2 2040 1.008000 0.423800 -7.1021E+00 -1.6492E+01 -6.5178E-01 O6 2041 15.999400 -0.847600 2.4943E+00 1.8045E+01 1.2644E+01 H1 2042 1.008000 0.423800 3.0417E+00 1.8872E+01 1.2518E+01 H2 2043 1.008000 0.423800 2.8031E+00 1.7562E+01 1.3464E+01 O6 2044 15.999400 -0.847600 -8.0994E+00 4.3502E+00 -4.5389E+00 H1 2045 1.008000 0.423800 -8.1169E+00 3.5428E+00 -5.1286E+00 H2 2046 1.008000 0.423800 -8.5757E+00 4.1483E+00 -3.6831E+00 O6 2047 15.999400 -0.847600 1.8558E+01 6.8895E+00 -1.7316E+01 H1 2048 1.008000 0.423800 1.8711E+01 7.5312E+00 -1.6565E+01 H2 2049 1.008000 0.423800 1.8005E+01 6.1219E+00 -1.6992E+01 O6 2050 15.999400 -0.847600 -1.6362E+01 -4.8200E-01 -2.3753E+00 H1 2051 1.008000 0.423800 -1.7325E+01 -6.4286E-01 -2.5927E+00 H2 2052 1.008000 0.423800 -1.5850E+01 -3.3280E-01 -3.2211E+00 O6 2053 15.999400 -0.847600 -1.3032E+00 1.8851E+01 -1.2336E+01 H1 2054 1.008000 0.423800 -4.7261E-01 1.8665E+01 -1.1811E+01 H2 2055 1.008000 0.423800 -1.7648E+00 1.7989E+01 -1.2546E+01 O6 2056 15.999400 -0.847600 8.9386E+00 -1.3596E+01 -1.0055E+01 H1 2057 1.008000 0.423800 7.9617E+00 -1.3501E+01 -9.8633E+00 H2 2058 1.008000 0.423800 9.2235E+00 -1.4538E+01 -9.8744E+00 O6 2059 15.999400 -0.847600 1.8461E+01 -7.8804E+00 -1.9162E+01 H1 2060 1.008000 0.423800 1.8280E+01 -6.9439E+00 -1.9462E+01 H2 2061 1.008000 0.423800 1.8111E+01 -8.5225E+00 1.9254E+01 O6 2062 15.999400 -0.847600 1.2609E+01 -5.8333E+00 6.8355E+00 H1 2063 1.008000 0.423800 1.3486E+01 -6.1885E+00 6.5112E+00 H2 2064 1.008000 0.423800 1.2552E+01 -5.9409E+00 7.8280E+00 O6 2065 15.999400 -0.847600 -3.6358E+00 1.4203E+01 1.8574E+01 H1 2066 1.008000 0.423800 -3.8178E+00 1.3437E+01 1.9191E+01 H2 2067 1.008000 0.423800 -2.6492E+00 1.4354E+01 1.8513E+01 O6 2068 15.999400 -0.847600 6.6227E+00 3.1568E+00 -1.8212E+01 H1 2069 1.008000 0.423800 6.3675E+00 4.0072E+00 -1.8672E+01 H2 2070 1.008000 0.423800 6.4438E+00 3.2416E+00 -1.7232E+01 O6 2071 15.999400 -0.847600 -4.8058E+00 -4.7235E+00 -8.8449E-01 H1 2072 1.008000 0.423800 -4.8582E+00 -5.2092E+00 -1.7571E+00 H2 2073 1.008000 0.423800 -5.4300E+00 -3.9424E+00 -8.9987E-01 O6 2074 15.999400 -0.847600 -8.6119E+00 3.9921E+00 -1.4475E+01 H1 2075 1.008000 0.423800 -7.9718E+00 3.9037E+00 -1.3712E+01 H2 2076 1.008000 0.423800 -8.8861E+00 3.0824E+00 -1.4787E+01 O6 2077 15.999400 -0.847600 4.6608E+00 7.0618E+00 9.5668E+00 H1 2078 1.008000 0.423800 4.2725E+00 6.2896E+00 1.0070E+01 H2 2079 1.008000 0.423800 4.2279E+00 7.1253E+00 8.6676E+00 O6 2080 15.999400 -0.847600 -2.3529E+00 9.8412E+00 -6.4733E+00 H1 2081 1.008000 0.423800 -1.9733E+00 1.0506E+01 -7.1163E+00 H2 2082 1.008000 0.423800 -1.7840E+00 9.0188E+00 -6.4701E+00 O6 2083 15.999400 -0.847600 -3.1621E+00 -1.4562E+00 1.6986E+01 H1 2084 1.008000 0.423800 -3.1995E+00 -1.5566E+00 1.7980E+01 H2 2085 1.008000 0.423800 -3.6496E+00 -6.2575E-01 1.6716E+01 O6 2086 15.999400 -0.847600 -7.1855E+00 7.2952E+00 1.5835E+01 H1 2087 1.008000 0.423800 -8.0719E+00 7.0949E+00 1.5418E+01 H2 2088 1.008000 0.423800 -6.5545E+00 7.6276E+00 1.5135E+01 O6 2089 15.999400 -0.847600 -3.3616E+00 8.0218E+00 5.1565E+00 H1 2090 1.008000 0.423800 -3.4643E+00 8.0934E+00 4.1644E+00 H2 2091 1.008000 0.423800 -3.3974E+00 8.9352E+00 5.5621E+00 O6 2092 15.999400 -0.847600 -1.2041E+01 -5.5972E+00 -6.0892E+00 H1 2093 1.008000 0.423800 -1.1283E+01 -5.2254E+00 -6.6242E+00 H2 2094 1.008000 0.423800 -1.2902E+01 -5.4332E+00 -6.5720E+00 O6 2095 15.999400 -0.847600 1.3045E+01 4.3569E+00 7.1053E+00 H1 2096 1.008000 0.423800 1.3455E+01 3.5702E+00 6.6433E+00 H2 2097 1.008000 0.423800 1.3199E+01 5.1809E+00 6.5600E+00 O6 2098 15.999400 -0.847600 -1.4091E+01 1.0698E+01 9.3753E+00 H1 2099 1.008000 0.423800 -1.3859E+01 9.7257E+00 9.4067E+00 H2 2100 1.008000 0.423800 -1.4996E+01 1.0837E+01 9.7782E+00 O6 2101 15.999400 -0.847600 -1.1886E+01 -1.7714E+01 4.5634E-01 H1 2102 1.008000 0.423800 -1.1044E+01 -1.8125E+01 1.0489E-01 H2 2103 1.008000 0.423800 -1.1715E+01 -1.6759E+01 6.9844E-01 O6 2104 15.999400 -0.847600 -1.6722E+00 -1.5209E+01 -1.0078E+01 H1 2105 1.008000 0.423800 -1.6202E+00 -1.5533E+01 -1.1022E+01 H2 2106 1.008000 0.423800 -8.7364E-01 -1.4642E+01 -9.8751E+00 O6 2107 15.999400 -0.847600 1.1389E+01 8.0575E+00 -5.2791E+00 H1 2108 1.008000 0.423800 1.2215E+01 7.4942E+00 -5.2900E+00 H2 2109 1.008000 0.423800 1.0771E+01 7.7288E+00 -4.5650E+00 O6 2110 15.999400 -0.847600 -1.4315E+01 -5.7189E+00 -1.5537E+01 H1 2111 1.008000 0.423800 -1.4805E+01 -6.1428E+00 -1.6299E+01 H2 2112 1.008000 0.423800 -1.4943E+01 -5.5848E+00 -1.4770E+01 O6 2113 15.999400 -0.847600 1.8162E+01 1.0495E+01 -9.6602E+00 H1 2114 1.008000 0.423800 1.7460E+01 9.8016E+00 -9.8213E+00 H2 2115 1.008000 0.423800 1.7887E+01 1.1355E+01 -1.0089E+01 O6 2116 15.999400 -0.847600 -1.1551E+01 1.2746E+01 -1.0453E+01 H1 2117 1.008000 0.423800 -1.1253E+01 1.3350E+01 -9.7137E+00 H2 2118 1.008000 0.423800 -1.1225E+01 1.3104E+01 -1.1328E+01 O6 2119 15.999400 -0.847600 1.1613E+01 -1.8957E+01 -3.0117E-01 H1 2120 1.008000 0.423800 1.0992E+01 -1.9140E+01 4.6066E-01 H2 2121 1.008000 0.423800 1.2523E+01 -1.9308E+01 -8.0727E-02 O6 2122 15.999400 -0.847600 8.8270E-01 1.3286E+01 1.6619E+01 H1 2123 1.008000 0.423800 1.0724E+00 1.3991E+01 1.5935E+01 H2 2124 1.008000 0.423800 1.7328E+00 1.3031E+01 1.7080E+01 O6 2125 15.999400 -0.847600 8.3010E+00 1.2427E+01 2.1126E+00 H1 2126 1.008000 0.423800 7.5208E+00 1.2662E+01 2.6920E+00 H2 2127 1.008000 0.423800 8.4507E+00 1.3154E+01 1.4429E+00 O6 2128 15.999400 -0.847600 1.9171E+01 4.3557E-01 1.5692E+01 H1 2129 1.008000 0.423800 -1.9388E+01 1.0387E+00 1.5103E+01 H2 2130 1.008000 0.423800 -1.9474E+01 -4.5405E-01 1.5760E+01 O6 2131 15.999400 -0.847600 1.6698E+01 -3.9039E+00 -1.0171E+01 H1 2132 1.008000 0.423800 1.6497E+01 -3.3358E+00 -1.0970E+01 H2 2133 1.008000 0.423800 1.7635E+01 -4.2475E+00 -1.0234E+01 O6 2134 15.999400 -0.847600 -1.6123E+01 1.4134E+01 -5.5633E+00 H1 2135 1.008000 0.423800 -1.6966E+01 1.3638E+01 -5.7727E+00 H2 2136 1.008000 0.423800 -1.6321E+01 1.4870E+01 -4.9169E+00 O6 2137 15.999400 -0.847600 -2.0038E+00 5.6754E+00 2.5646E+00 H1 2138 1.008000 0.423800 -1.5163E+00 5.6650E+00 1.6915E+00 H2 2139 1.008000 0.423800 -2.4614E+00 6.5570E+00 2.6803E+00 O6 2140 15.999400 -0.847600 2.3958E+00 -1.2401E+01 6.5636E+00 H1 2141 1.008000 0.423800 1.4574E+00 -1.2071E+01 6.4606E+00 H2 2142 1.008000 0.423800 2.5086E+00 -1.3251E+01 6.0492E+00 O6 2143 15.999400 -0.847600 -1.7402E+01 1.2842E+01 1.7136E+01 H1 2144 1.008000 0.423800 -1.6424E+01 1.3050E+01 1.7168E+01 H2 2145 1.008000 0.423800 -1.7715E+01 1.2571E+01 1.8046E+01 O6 2146 15.999400 -0.847600 -8.3458E+00 -1.8790E+01 6.9972E+00 H1 2147 1.008000 0.423800 -8.0994E+00 -1.7836E+01 7.1673E+00 H2 2148 1.008000 0.423800 -9.2939E+00 -1.8838E+01 6.6829E+00 O6 2149 15.999400 -0.847600 -5.6956E+00 -1.3514E+01 -9.8046E+00 H1 2150 1.008000 0.423800 -5.9923E+00 -1.2589E+01 -9.5693E+00 H2 2151 1.008000 0.423800 -5.1462E+00 -1.3888E+01 -9.0573E+00 O6 2152 15.999400 -0.847600 -1.8711E+00 3.9362E+00 7.2333E+00 H1 2153 1.008000 0.423800 -9.6138E-01 4.0533E+00 7.6318E+00 H2 2154 1.008000 0.423800 -2.3660E+00 4.8043E+00 7.2717E+00 O6 2155 15.999400 -0.847600 -9.9947E+00 -2.2014E+00 1.6267E+01 H1 2156 1.008000 0.423800 -9.0144E+00 -2.3854E+00 1.6339E+01 H2 2157 1.008000 0.423800 -1.0406E+01 -2.8368E+00 1.5613E+01 O6 2158 15.999400 -0.847600 -7.5726E+00 1.7449E+01 -1.8895E+01 H1 2159 1.008000 0.423800 -8.2302E+00 1.7626E+01 1.9470E+01 H2 2160 1.008000 0.423800 -7.6917E+00 1.8126E+01 -1.8169E+01 O6 2161 15.999400 -0.847600 7.9342E-01 -1.7143E+00 -7.4642E+00 H1 2162 1.008000 0.423800 1.6095E+00 -1.1507E+00 -7.5920E+00 H2 2163 1.008000 0.423800 5.8556E-01 -1.7833E+00 -6.4885E+00 O6 2164 15.999400 -0.847600 -4.1772E+00 7.1299E+00 -8.6175E+00 H1 2165 1.008000 0.423800 -4.0668E+00 6.5779E+00 -7.7910E+00 H2 2166 1.008000 0.423800 -4.4749E+00 8.0509E+00 -8.3659E+00 O6 2167 15.999400 -0.847600 1.9197E+01 -4.8325E+00 -1.0209E+01 H1 2168 1.008000 0.423800 1.9115E+01 -5.7278E+00 -9.7709E+00 H2 2169 1.008000 0.423800 -1.9240E+01 -4.2748E+00 -9.7055E+00 O6 2170 15.999400 -0.847600 -3.5977E+00 1.2980E+01 1.3422E+01 H1 2171 1.008000 0.423800 -3.5467E+00 1.2996E+01 1.4420E+01 H2 2172 1.008000 0.423800 -3.9658E+00 1.2101E+01 1.3120E+01 O6 2173 15.999400 -0.847600 -5.1543E+00 7.8669E+00 1.4143E+01 H1 2174 1.008000 0.423800 -4.8521E+00 7.5258E+00 1.3253E+01 H2 2175 1.008000 0.423800 -4.3564E+00 8.0716E+00 1.4710E+01 O6 2176 15.999400 -0.847600 1.4158E+01 4.0095E+00 -1.9129E+01 H1 2177 1.008000 0.423800 1.4003E+01 3.0657E+00 -1.8837E+01 H2 2178 1.008000 0.423800 1.4298E+01 4.5881E+00 -1.8325E+01 O6 2179 15.999400 -0.847600 9.7231E+00 7.0351E+00 -3.3419E+00 H1 2180 1.008000 0.423800 9.6702E+00 6.5356E+00 -2.4772E+00 H2 2181 1.008000 0.423800 9.4574E+00 7.9877E+00 -3.1933E+00 O6 2182 15.999400 -0.847600 7.1246E+00 9.4543E+00 1.2749E+01 H1 2183 1.008000 0.423800 7.9748E+00 9.7344E+00 1.2303E+01 H2 2184 1.008000 0.423800 6.3724E+00 9.5018E+00 1.2092E+01 O6 2185 15.999400 -0.847600 -1.0181E+00 -8.6494E+00 -1.3296E+01 H1 2186 1.008000 0.423800 -1.2543E+00 -8.5609E+00 -1.2328E+01 H2 2187 1.008000 0.423800 -1.6825E+00 -8.1463E+00 -1.3848E+01 O6 2188 15.999400 -0.847600 3.3542E+00 1.3485E+01 -6.7837E-02 H1 2189 1.008000 0.423800 2.9154E+00 1.2715E+01 -5.3250E-01 H2 2190 1.008000 0.423800 3.5980E+00 1.4184E+01 -7.3924E-01 O6 2191 15.999400 -0.847600 5.2251E+00 -3.6154E+00 1.5659E+01 H1 2192 1.008000 0.423800 6.0515E+00 -4.0984E+00 1.5369E+01 H2 2193 1.008000 0.423800 5.4500E+00 -2.6624E+00 1.5862E+01 O6 2194 15.999400 -0.847600 -1.2684E+01 1.5527E+01 1.3382E+01 H1 2195 1.008000 0.423800 -1.3561E+01 1.5074E+01 1.3542E+01 H2 2196 1.008000 0.423800 -1.2368E+01 1.5951E+01 1.4230E+01 O6 2197 15.999400 -0.847600 2.5950E+00 5.0172E+00 -1.1879E+01 H1 2198 1.008000 0.423800 2.0266E+00 5.6147E+00 -1.1313E+01 H2 2199 1.008000 0.423800 2.1818E+00 4.9237E+00 -1.2785E+01 O6 2200 15.999400 -0.847600 -1.3080E+01 8.0179E+00 6.7009E+00 H1 2201 1.008000 0.423800 -1.3291E+01 7.9769E+00 7.6777E+00 H2 2202 1.008000 0.423800 -1.3115E+01 8.9684E+00 6.3922E+00 O6 2203 15.999400 -0.847600 1.6007E+01 -6.2236E+00 1.2407E+01 H1 2204 1.008000 0.423800 1.5083E+01 -6.1805E+00 1.2786E+01 H2 2205 1.008000 0.423800 1.5980E+01 -6.6687E+00 1.1512E+01 O6 2206 15.999400 -0.847600 -3.8198E+00 -1.3024E+01 6.4079E+00 H1 2207 1.008000 0.423800 -3.6164E+00 -1.2518E+01 7.2461E+00 H2 2208 1.008000 0.423800 -3.0215E+00 -1.3006E+01 5.8059E+00 O6 2209 15.999400 -0.847600 6.4891E+00 5.3485E+00 1.9181E+01 H1 2210 1.008000 0.423800 5.8176E+00 6.0895E+00 1.9169E+01 H2 2211 1.008000 0.423800 7.4113E+00 5.7340E+00 1.9152E+01 O6 2212 15.999400 -0.847600 9.5723E+00 9.6800E+00 7.6551E+00 H1 2213 1.008000 0.423800 9.3557E+00 9.8232E+00 8.6208E+00 H2 2214 1.008000 0.423800 9.6607E+00 1.0565E+01 7.1985E+00 O6 2215 15.999400 -0.847600 -3.7876E+00 -1.4058E+01 -1.3752E+01 H1 2216 1.008000 0.423800 -2.8209E+00 -1.4293E+01 -1.3854E+01 H2 2217 1.008000 0.423800 -3.9068E+00 -1.3074E+01 -1.3882E+01 O6 2218 15.999400 -0.847600 -1.1920E+01 -1.2786E+01 -8.7592E+00 H1 2219 1.008000 0.423800 -1.0989E+01 -1.3041E+01 -9.0196E+00 H2 2220 1.008000 0.423800 -1.2160E+01 -1.1915E+01 -9.1886E+00 O6 2221 15.999400 -0.847600 1.8446E+01 1.2264E+01 3.7608E+00 H1 2222 1.008000 0.423800 1.7954E+01 1.1394E+01 3.7899E+00 H2 2223 1.008000 0.423800 1.9018E+01 1.2296E+01 2.9413E+00 O6 2224 15.999400 -0.847600 1.2661E+01 -1.1767E+01 -1.0077E+01 H1 2225 1.008000 0.423800 1.3186E+01 -1.1419E+01 -1.0854E+01 H2 2226 1.008000 0.423800 1.2691E+01 -1.2767E+01 -1.0077E+01 O6 2227 15.999400 -0.847600 1.8162E+00 -3.9131E+00 1.9496E+01 H1 2228 1.008000 0.423800 2.3425E+00 -3.2988E+00 1.8908E+01 H2 2229 1.008000 0.423800 2.4150E+00 -4.6333E+00 -1.9251E+01 O6 2230 15.999400 -0.847600 -9.7913E+00 5.8495E+00 2.7977E+00 H1 2231 1.008000 0.423800 -9.8023E+00 4.9802E+00 3.2917E+00 H2 2232 1.008000 0.423800 -9.9671E+00 5.6836E+00 1.8273E+00 O6 2233 15.999400 -0.847600 -1.6896E+01 1.2033E+01 6.2788E+00 H1 2234 1.008000 0.423800 -1.5950E+01 1.1899E+01 6.5730E+00 H2 2235 1.008000 0.423800 -1.6917E+01 1.2661E+01 5.5003E+00 O6 2236 15.999400 -0.847600 -6.9103E+00 -2.4145E+00 -9.8653E+00 H1 2237 1.008000 0.423800 -6.7738E+00 -1.8839E+00 -1.0702E+01 H2 2238 1.008000 0.423800 -6.0234E+00 -2.6149E+00 -9.4493E+00 O6 2239 15.999400 -0.847600 -9.7113E+00 -1.8982E+01 -7.5617E+00 H1 2240 1.008000 0.423800 -1.0096E+01 -1.9469E+01 -6.7772E+00 H2 2241 1.008000 0.423800 -1.0368E+01 -1.8994E+01 -8.3157E+00 O6 2242 15.999400 -0.847600 1.7853E+01 4.8562E+00 3.2524E+00 H1 2243 1.008000 0.423800 1.7358E+01 4.7981E+00 2.3852E+00 H2 2244 1.008000 0.423800 1.8836E+01 4.8975E+00 3.0731E+00 O6 2245 15.999400 -0.847600 3.2982E+00 -5.6373E-02 -7.1993E+00 H1 2246 1.008000 0.423800 3.9505E+00 -8.0774E-01 -7.0996E+00 H2 2247 1.008000 0.423800 3.1023E+00 3.3640E-01 -6.3008E+00 O6 2248 15.999400 -0.847600 -1.8403E+01 -1.9024E+01 -6.3395E+00 H1 2249 1.008000 0.423800 -1.8828E+01 -1.9379E+01 -5.5066E+00 H2 2250 1.008000 0.423800 -1.9112E+01 -1.8826E+01 -7.0164E+00 O6 2251 15.999400 -0.847600 -1.2277E+01 -1.1224E+01 8.1903E+00 H1 2252 1.008000 0.423800 -1.1600E+01 -1.1668E+01 7.6037E+00 H2 2253 1.008000 0.423800 -1.1887E+01 -1.0389E+01 8.5777E+00 O6 2254 15.999400 -0.847600 1.6408E+01 -2.9697E+00 -6.1328E+00 H1 2255 1.008000 0.423800 1.7054E+01 -2.2073E+00 -6.1709E+00 H2 2256 1.008000 0.423800 1.6206E+01 -3.1880E+00 -5.1781E+00 O6 2257 15.999400 -0.847600 -1.7147E+01 -1.2387E+01 9.5263E-01 H1 2258 1.008000 0.423800 -1.6888E+01 -1.1433E+01 8.0173E-01 H2 2259 1.008000 0.423800 -1.7931E+01 -1.2615E+01 3.7462E-01 O6 2260 15.999400 -0.847600 -1.0641E+01 4.2507E+00 1.8286E+01 H1 2261 1.008000 0.423800 -1.1258E+01 4.3699E+00 1.7508E+01 H2 2262 1.008000 0.423800 -1.0748E+01 5.0192E+00 1.8917E+01 O6 2263 15.999400 -0.847600 -1.3598E+01 1.4001E+01 -6.4525E+00 H1 2264 1.008000 0.423800 -1.3542E+01 1.4382E+01 -7.3755E+00 H2 2265 1.008000 0.423800 -1.4463E+01 1.4274E+01 -6.0316E+00 O6 2266 15.999400 -0.847600 -9.7632E+00 4.8887E+00 1.1148E-01 H1 2267 1.008000 0.423800 -8.9667E+00 4.3330E+00 -1.2682E-01 H2 2268 1.008000 0.423800 -1.0538E+01 4.6253E+00 -4.6383E-01 O6 2269 15.999400 -0.847600 8.6201E+00 -1.8058E+01 1.8466E+01 H1 2270 1.008000 0.423800 9.3841E+00 -1.7729E+01 1.7911E+01 H2 2271 1.008000 0.423800 8.1580E+00 -1.7280E+01 1.8892E+01 O6 2272 15.999400 -0.847600 -1.4741E+00 -1.9528E+01 1.0594E+01 H1 2273 1.008000 0.423800 -1.7028E+00 -1.9229E+01 1.1521E+01 H2 2274 1.008000 0.423800 -5.0711E-01 -1.9347E+01 1.0415E+01 O6 2275 15.999400 -0.847600 1.8250E+01 1.1623E+01 1.5303E+01 H1 2276 1.008000 0.423800 1.7270E+01 1.1436E+01 1.5379E+01 H2 2277 1.008000 0.423800 1.8764E+01 1.0790E+01 1.5506E+01 O6 2278 15.999400 -0.847600 -1.0774E+01 1.6457E+01 1.5035E+01 H1 2279 1.008000 0.423800 -9.9276E+00 1.5936E+01 1.4924E+01 H2 2280 1.008000 0.423800 -1.1056E+01 1.6435E+01 1.5994E+01 O6 2281 15.999400 -0.847600 3.4857E-01 1.7847E+01 1.8189E+01 H1 2282 1.008000 0.423800 1.1167E+00 1.7237E+01 1.8385E+01 H2 2283 1.008000 0.423800 -1.4369E-01 1.8046E+01 1.9036E+01 O6 2284 15.999400 -0.847600 -5.7542E+00 8.6818E+00 -1.5854E+01 H1 2285 1.008000 0.423800 -5.0641E+00 9.3533E+00 -1.6125E+01 H2 2286 1.008000 0.423800 -5.5781E+00 8.3816E+00 -1.4917E+01 O6 2287 15.999400 -0.847600 6.8716E+00 1.9354E+01 -1.3842E+01 H1 2288 1.008000 0.423800 6.2001E+00 -1.9397E+01 -1.3188E+01 H2 2289 1.008000 0.423800 7.1918E+00 1.8454E+01 -1.3546E+01 O6 2290 15.999400 -0.847600 -1.4228E+01 -1.6944E+01 -7.7922E+00 H1 2291 1.008000 0.423800 -1.3975E+01 -1.6517E+01 -8.6601E+00 H2 2292 1.008000 0.423800 -1.3410E+01 -1.7067E+01 -7.2301E+00 O6 2293 15.999400 -0.847600 4.6582E+00 -1.5166E+01 8.9840E+00 H1 2294 1.008000 0.423800 4.8676E+00 -1.5313E+01 9.9507E+00 H2 2295 1.008000 0.423800 3.7490E+00 -1.5530E+01 8.7809E+00 O6 2296 15.999400 -0.847600 -2.5081E+00 -1.3456E+01 -4.3188E+00 H1 2297 1.008000 0.423800 -2.5275E+00 -1.4325E+01 -3.8248E+00 H2 2298 1.008000 0.423800 -2.1808E+00 -1.2734E+01 -3.7097E+00 O6 2299 15.999400 -0.847600 1.5659E+01 -9.9283E+00 -9.8939E+00 H1 2300 1.008000 0.423800 1.5181E+01 -9.1148E+00 -9.5624E+00 H2 2301 1.008000 0.423800 1.5182E+01 -1.0292E+01 -1.0694E+01 O6 2302 15.999400 -0.847600 -1.6042E+01 -2.1475E+00 9.1362E+00 H1 2303 1.008000 0.423800 -1.5256E+01 -1.6148E+00 8.8221E+00 H2 2304 1.008000 0.423800 -1.5956E+01 -2.3223E+00 1.0117E+01 O6 2305 15.999400 -0.847600 4.1305E+00 4.2100E+00 -4.4732E+00 H1 2306 1.008000 0.423800 3.3973E+00 4.8815E+00 -4.5800E+00 H2 2307 1.008000 0.423800 4.9021E+00 4.6319E+00 -3.9972E+00 O6 2308 15.999400 -0.847600 -2.9387E+00 9.3050E+00 1.8501E+01 H1 2309 1.008000 0.423800 -2.7525E+00 1.0236E+01 1.8815E+01 H2 2310 1.008000 0.423800 -3.1186E+00 8.7165E+00 1.9289E+01 O6 2311 15.999400 -0.847600 4.1724E+00 -1.5772E+01 -6.9807E+00 H1 2312 1.008000 0.423800 4.6416E+00 -1.5811E+01 -7.8629E+00 H2 2313 1.008000 0.423800 4.6668E+00 -1.5156E+01 -6.3673E+00 O6 2314 15.999400 -0.847600 -1.3536E+01 -5.1795E-01 9.5074E+00 H1 2315 1.008000 0.423800 -1.4121E+01 2.1347E-01 9.8577E+00 H2 2316 1.008000 0.423800 -1.2839E+01 -7.4249E-01 1.0189E+01 O6 2317 15.999400 -0.847600 -1.1128E+01 -4.0928E+00 1.4496E+01 H1 2318 1.008000 0.423800 -1.0891E+01 -5.0633E+00 1.4455E+01 H2 2319 1.008000 0.423800 -1.2024E+01 -3.9867E+00 1.4928E+01 O6 2320 15.999400 -0.847600 -9.2329E+00 -1.0914E+01 -1.7115E+01 H1 2321 1.008000 0.423800 -9.2812E+00 -1.0286E+01 -1.7892E+01 H2 2322 1.008000 0.423800 -8.2961E+00 -1.0941E+01 -1.6767E+01 O6 2323 15.999400 -0.847600 6.0268E+00 -7.5382E+00 1.6246E+01 H1 2324 1.008000 0.423800 5.1083E+00 -7.8538E+00 1.6007E+01 H2 2325 1.008000 0.423800 5.9659E+00 -6.8536E+00 1.6972E+01 O6 2326 15.999400 -0.847600 -2.4393E-01 -1.4958E+01 -5.4024E+00 H1 2327 1.008000 0.423800 -1.1163E+00 -1.4707E+01 -5.8215E+00 H2 2328 1.008000 0.423800 -3.8663E-01 -1.5165E+01 -4.4344E+00 O6 2329 15.999400 -0.847600 3.0423E+00 1.1277E+01 1.7530E+01 H1 2330 1.008000 0.423800 2.2720E+00 1.0646E+01 1.7622E+01 H2 2331 1.008000 0.423800 3.1870E+00 1.1487E+01 1.6563E+01 O6 2332 15.999400 -0.847600 -1.0382E+01 -1.6300E+01 5.2458E+00 H1 2333 1.008000 0.423800 -1.0579E+01 -1.5866E+01 6.1252E+00 H2 2334 1.008000 0.423800 -1.0515E+01 -1.7288E+01 5.3243E+00 O6 2335 15.999400 -0.847600 -6.9674E+00 -9.4489E+00 1.0292E+01 H1 2336 1.008000 0.423800 -7.7719E+00 -9.0279E+00 9.8728E+00 H2 2337 1.008000 0.423800 -7.1868E+00 -1.0385E+01 1.0568E+01 O6 2338 15.999400 -0.847600 1.3710E+01 1.1927E+01 -1.8507E+01 H1 2339 1.008000 0.423800 1.3390E+01 1.1063E+01 -1.8896E+01 H2 2340 1.008000 0.423800 1.2964E+01 1.2362E+01 -1.8003E+01 O6 2341 15.999400 -0.847600 -1.3470E+01 -3.9245E+00 3.5404E+00 H1 2342 1.008000 0.423800 -1.4154E+01 -3.6643E+00 4.2218E+00 H2 2343 1.008000 0.423800 -1.3727E+01 -4.7985E+00 3.1277E+00 O6 2344 15.999400 -0.847600 -1.6615E+01 9.7712E+00 1.6647E+01 H1 2345 1.008000 0.423800 -1.7383E+01 9.4703E+00 1.6082E+01 H2 2346 1.008000 0.423800 -1.6900E+01 9.8056E+00 1.7605E+01 O6 2347 15.999400 -0.847600 1.0561E+01 -1.4957E+01 -5.8613E+00 H1 2348 1.008000 0.423800 9.7122E+00 -1.5117E+01 -5.3575E+00 H2 2349 1.008000 0.423800 1.0915E+01 -1.4049E+01 -5.6363E+00 O6 2350 15.999400 -0.847600 -1.1528E+01 -8.4259E-01 4.6276E+00 H1 2351 1.008000 0.423800 -1.1964E+01 -1.3076E+00 5.3982E+00 H2 2352 1.008000 0.423800 -1.2203E+01 -2.7340E-01 4.1571E+00 O6 2353 15.999400 -0.847600 -1.7431E+01 -2.9359E+00 -1.5718E+01 H1 2354 1.008000 0.423800 -1.7949E+01 -2.2735E+00 -1.5176E+01 H2 2355 1.008000 0.423800 -1.6854E+01 -2.4508E+00 -1.6375E+01 O6 2356 15.999400 -0.847600 3.1816E+00 -3.2838E+00 -1.2433E+01 H1 2357 1.008000 0.423800 2.5652E+00 -3.1910E+00 -1.1651E+01 H2 2358 1.008000 0.423800 4.0806E+00 -3.5848E+00 -1.2115E+01 O6 2359 15.999400 -0.847600 9.3397E+00 1.5441E+01 1.1985E+01 H1 2360 1.008000 0.423800 8.6597E+00 1.4804E+01 1.2348E+01 H2 2361 1.008000 0.423800 1.0022E+01 1.4935E+01 1.1457E+01 O6 2362 15.999400 -0.847600 -1.5335E+00 1.8077E+01 -3.7727E+00 H1 2363 1.008000 0.423800 -9.3893E-01 1.8516E+01 -4.4462E+00 H2 2364 1.008000 0.423800 -2.3664E+00 1.8619E+01 -3.6599E+00 O6 2365 15.999400 -0.847600 -1.9466E+01 7.0066E+00 1.9220E+01 H1 2366 1.008000 0.423800 1.9181E+01 7.6544E+00 1.8605E+01 H2 2367 1.008000 0.423800 1.9320E+01 7.1637E+00 -1.8941E+01 O6 2368 15.999400 -0.847600 -1.7652E+00 -1.1606E+01 -2.1096E+00 H1 2369 1.008000 0.423800 -9.1274E-01 -1.2049E+01 -1.8320E+00 H2 2370 1.008000 0.423800 -1.5581E+00 -1.0821E+01 -2.6939E+00 O6 2371 15.999400 -0.847600 -6.4558E+00 4.9512E+00 1.1735E+01 H1 2372 1.008000 0.423800 -7.3585E+00 5.2607E+00 1.1436E+01 H2 2373 1.008000 0.423800 -6.1284E+00 4.2346E+00 1.1119E+01 O6 2374 15.999400 -0.847600 -3.5209E-01 1.5790E+00 2.8748E+00 H1 2375 1.008000 0.423800 9.2825E-02 1.9084E+00 3.7077E+00 H2 2376 1.008000 0.423800 -8.7384E-01 7.5116E-01 3.0808E+00 O6 2377 15.999400 -0.847600 -1.1328E+01 1.1613E+01 1.2690E+01 H1 2378 1.008000 0.423800 -1.0505E+01 1.1298E+01 1.3162E+01 H2 2379 1.008000 0.423800 -1.1433E+01 1.1110E+01 1.1832E+01 O6 2380 15.999400 -0.847600 -1.2644E+01 -1.0616E+01 -1.4589E+01 H1 2381 1.008000 0.423800 -1.2915E+01 -9.7732E+00 -1.5054E+01 H2 2382 1.008000 0.423800 -1.3215E+01 -1.1372E+01 -1.4908E+01 O6 2383 15.999400 -0.847600 1.3234E+01 1.7907E+01 2.8469E+00 H1 2384 1.008000 0.423800 1.3949E+01 1.7212E+01 2.7754E+00 H2 2385 1.008000 0.423800 1.2371E+01 1.7533E+01 2.5057E+00 O6 2386 15.999400 -0.847600 9.6031E+00 6.0380E+00 6.7446E+00 H1 2387 1.008000 0.423800 1.0336E+01 6.6290E+00 6.4071E+00 H2 2388 1.008000 0.423800 9.9761E+00 5.3920E+00 7.4106E+00 O6 2389 15.999400 -0.847600 -1.8364E+01 -1.1818E+01 -1.0894E+01 H1 2390 1.008000 0.423800 -1.8941E+01 -1.2634E+01 -1.0861E+01 H2 2391 1.008000 0.423800 -1.7404E+01 -1.2090E+01 -1.0951E+01 O6 2392 15.999400 -0.847600 1.0510E+01 -1.1538E-01 -2.7032E+00 H1 2393 1.008000 0.423800 1.0417E+01 7.2750E-01 -3.2334E+00 H2 2394 1.008000 0.423800 1.0224E+01 5.1385E-02 -1.7596E+00 O6 2395 15.999400 -0.847600 9.4663E+00 -6.1287E+00 -1.0366E+01 H1 2396 1.008000 0.423800 1.0174E+01 -6.5792E+00 -9.8224E+00 H2 2397 1.008000 0.423800 8.6951E+00 -5.8887E+00 -9.7768E+00 O6 2398 15.999400 -0.847600 -6.3900E+00 6.5486E+00 -5.0998E+00 H1 2399 1.008000 0.423800 -7.0739E+00 5.8935E+00 -4.7784E+00 H2 2400 1.008000 0.423800 -6.7223E+00 6.9970E+00 -5.9296E+00 O6 2401 15.999400 -0.847600 -1.2710E+01 3.0806E+00 9.5610E-01 H1 2402 1.008000 0.423800 -1.2143E+01 3.6002E+00 3.1689E-01 H2 2403 1.008000 0.423800 -1.3627E+01 2.9711E+00 5.7442E-01 O6 2404 15.999400 -0.847600 1.5255E+01 1.2754E+00 -3.7946E+00 H1 2405 1.008000 0.423800 1.4750E+01 1.8324E+00 -3.1349E+00 H2 2406 1.008000 0.423800 1.4618E+01 8.9269E-01 -4.4639E+00 O6 2407 15.999400 -0.847600 -8.4538E+00 1.1159E+01 -1.0888E+01 H1 2408 1.008000 0.423800 -7.8645E+00 1.0366E+01 -1.0737E+01 H2 2409 1.008000 0.423800 -9.3808E+00 1.0851E+01 -1.1101E+01 O6 2410 15.999400 -0.847600 -1.6431E+01 7.4852E-01 -1.5381E+01 H1 2411 1.008000 0.423800 -1.7421E+01 7.8371E-01 -1.5517E+01 H2 2412 1.008000 0.423800 -1.6001E+01 3.1993E-01 -1.6175E+01 O6 2413 15.999400 -0.847600 -1.4494E+01 1.0168E+01 4.5939E+00 H1 2414 1.008000 0.423800 -1.3785E+01 1.0110E+01 3.8914E+00 H2 2415 1.008000 0.423800 -1.4344E+01 1.0984E+01 5.1520E+00 O6 2416 15.999400 -0.847600 -2.2412E+00 -1.1684E+00 6.9408E+00 H1 2417 1.008000 0.423800 -3.1228E+00 -1.6268E+00 6.8280E+00 H2 2418 1.008000 0.423800 -2.3832E+00 -2.7111E-01 7.3588E+00 O6 2419 15.999400 -0.847600 1.5241E+01 -6.8262E+00 5.5751E+00 H1 2420 1.008000 0.423800 1.4766E+01 -7.6870E+00 5.3917E+00 H2 2421 1.008000 0.423800 1.6177E+01 -7.0183E+00 5.8692E+00 O6 2422 15.999400 -0.847600 -1.1656E+01 -1.3809E+01 1.1248E+01 H1 2423 1.008000 0.423800 -1.2331E+01 -1.3408E+01 1.0629E+01 H2 2424 1.008000 0.423800 -1.1388E+01 -1.4711E+01 1.0910E+01 O6 2425 15.999400 -0.847600 -1.3012E+01 -7.2470E-01 -5.6695E+00 H1 2426 1.008000 0.423800 -1.2264E+01 -9.7393E-02 -5.4509E+00 H2 2427 1.008000 0.423800 -1.3886E+01 -2.4899E-01 -5.5704E+00 O6 2428 15.999400 -0.847600 1.6843E+01 -9.5656E+00 3.8883E+00 H1 2429 1.008000 0.423800 1.6504E+01 -1.0504E+01 3.8226E+00 H2 2430 1.008000 0.423800 1.7055E+01 -9.2231E+00 2.9730E+00 O6 2431 15.999400 -0.847600 1.1020E+01 9.1073E+00 -4.2458E-01 H1 2432 1.008000 0.423800 1.0864E+01 9.6674E+00 -1.2382E+00 H2 2433 1.008000 0.423800 1.0210E+01 9.1376E+00 1.6102E-01 O6 2434 15.999400 -0.847600 1.1287E+01 -6.7924E+00 3.3535E+00 H1 2435 1.008000 0.423800 1.0995E+01 -7.4109E+00 4.0831E+00 H2 2436 1.008000 0.423800 1.2223E+01 -7.0164E+00 3.0813E+00 O6 2437 15.999400 -0.847600 1.5694E+01 -1.4773E+01 -1.6813E+01 H1 2438 1.008000 0.423800 1.5986E+01 -1.3835E+01 -1.6626E+01 H2 2439 1.008000 0.423800 1.4736E+01 -1.4773E+01 -1.7102E+01 O6 2440 15.999400 -0.847600 1.5411E+01 -5.5631E+00 1.7944E+01 H1 2441 1.008000 0.423800 1.6196E+01 -6.0034E+00 1.7508E+01 H2 2442 1.008000 0.423800 1.4567E+01 -5.9905E+00 1.7621E+01 O6 2443 15.999400 -0.847600 1.4185E+00 1.6493E+01 -1.6650E+01 H1 2444 1.008000 0.423800 6.0954E-01 1.6145E+01 -1.7123E+01 H2 2445 1.008000 0.423800 1.1712E+00 1.6757E+01 -1.5718E+01 O6 2446 15.999400 -0.847600 4.1142E+00 4.6027E+00 1.0857E+01 H1 2447 1.008000 0.423800 4.3855E+00 3.6429E+00 1.0929E+01 H2 2448 1.008000 0.423800 4.4962E+00 5.1155E+00 1.1626E+01 O6 2449 15.999400 -0.847600 1.7796E+01 -9.1092E+00 -5.9831E+00 H1 2450 1.008000 0.423800 1.8617E+01 -9.6514E+00 -6.1600E+00 H2 2451 1.008000 0.423800 1.7663E+01 -8.4531E+00 -6.7260E+00 O6 2452 15.999400 -0.847600 -1.6762E+01 2.4921E+00 -4.6067E+00 H1 2453 1.008000 0.423800 -1.7234E+01 2.2041E+00 -3.7730E+00 H2 2454 1.008000 0.423800 -1.7432E+01 2.6391E+00 -5.3343E+00 O6 2455 15.999400 -0.847600 -1.0757E+01 2.4815E+00 -7.2950E+00 H1 2456 1.008000 0.423800 -1.0511E+01 1.8544E+00 -8.0343E+00 H2 2457 1.008000 0.423800 -1.0533E+01 3.4181E+00 -7.5644E+00 O6 2458 15.999400 -0.847600 -1.1337E+01 -1.6062E+01 7.8043E+00 H1 2459 1.008000 0.423800 -1.1891E+01 -1.5270E+01 7.5487E+00 H2 2460 1.008000 0.423800 -1.1865E+01 -1.6899E+01 7.6626E+00 O6 2461 15.999400 -0.847600 -4.8562E+00 9.5594E+00 -8.1415E+00 H1 2462 1.008000 0.423800 -4.9138E+00 9.9516E+00 -9.0596E+00 H2 2463 1.008000 0.423800 -4.3045E+00 1.0156E+01 -7.5584E+00 O6 2464 15.999400 -0.847600 -1.5451E+01 1.0916E+01 -9.7134E+00 H1 2465 1.008000 0.423800 -1.5163E+01 1.0726E+01 -8.7749E+00 H2 2466 1.008000 0.423800 -1.4868E+01 1.1629E+01 -1.0103E+01 O6 2467 15.999400 -0.847600 -1.5963E+01 1.7656E+01 -1.2315E+01 H1 2468 1.008000 0.423800 -1.6465E+01 1.8445E+01 -1.1960E+01 H2 2469 1.008000 0.423800 -1.5565E+01 1.7886E+01 -1.3203E+01 O6 2470 15.999400 -0.847600 1.3175E+01 3.7548E+00 -4.6628E+00 H1 2471 1.008000 0.423800 1.3419E+01 3.1792E+00 -3.8824E+00 H2 2472 1.008000 0.423800 1.3218E+01 3.2136E+00 -5.5026E+00 O6 2473 15.999400 -0.847600 -3.5856E+00 1.2427E+01 -5.4871E+00 H1 2474 1.008000 0.423800 -3.4922E+00 1.2347E+01 -6.4795E+00 H2 2475 1.008000 0.423800 -2.7448E+00 1.2808E+01 -5.1029E+00 O6 2476 15.999400 -0.847600 -5.2337E+00 -3.9890E+00 -4.9308E+00 H1 2477 1.008000 0.423800 -6.1943E+00 -4.0719E+00 -4.6657E+00 H2 2478 1.008000 0.423800 -4.7433E+00 -4.8209E+00 -4.6710E+00 O6 2479 15.999400 -0.847600 1.0343E+00 -1.8570E+01 9.8638E+00 H1 2480 1.008000 0.423800 1.3137E+00 -1.8218E+01 8.9707E+00 H2 2481 1.008000 0.423800 1.2952E+00 -1.7919E+01 1.0576E+01 O6 2482 15.999400 -0.847600 -1.1771E+00 6.4342E+00 -8.3942E+00 H1 2483 1.008000 0.423800 -2.0467E+00 5.9620E+00 -8.5387E+00 H2 2484 1.008000 0.423800 -4.4027E-01 5.9158E+00 -8.8282E+00 O6 2485 15.999400 -0.847600 1.5526E+01 9.1023E+00 1.7612E+01 H1 2486 1.008000 0.423800 1.5250E+01 8.2822E+00 1.8113E+01 H2 2487 1.008000 0.423800 1.5516E+01 9.8892E+00 1.8229E+01 O6 2488 15.999400 -0.847600 -5.2935E+00 -9.4457E+00 -4.3563E+00 H1 2489 1.008000 0.423800 -5.0317E+00 -1.0275E+01 -3.8624E+00 H2 2490 1.008000 0.423800 -4.4710E+00 -8.9680E+00 -4.6650E+00 O6 2491 15.999400 -0.847600 -7.0405E+00 7.9160E+00 -7.2027E+00 H1 2492 1.008000 0.423800 -6.2731E+00 8.4236E+00 -7.5944E+00 H2 2493 1.008000 0.423800 -7.8933E+00 8.2226E+00 -7.6256E+00 O6 2494 15.999400 -0.847600 5.0698E+00 -1.5944E+01 -9.6864E+00 H1 2495 1.008000 0.423800 4.5726E+00 -1.6782E+01 -9.9119E+00 H2 2496 1.008000 0.423800 6.0061E+00 -1.6009E+01 -1.0032E+01 O6 2497 15.999400 -0.847600 -1.3451E+01 -1.1029E+01 1.8848E+01 H1 2498 1.008000 0.423800 -1.4379E+01 -1.1224E+01 1.9168E+01 H2 2499 1.008000 0.423800 -1.2904E+01 -1.1866E+01 1.8884E+01 O6 2500 15.999400 -0.847600 -1.3198E+00 1.1115E+01 1.0469E+01 H1 2501 1.008000 0.423800 -1.4588E+00 1.2032E+01 1.0845E+01 H2 2502 1.008000 0.423800 -7.6332E-01 1.1176E+01 9.6407E+00 O6 2503 15.999400 -0.847600 5.1806E+00 -4.3934E+00 -1.4956E+01 H1 2504 1.008000 0.423800 5.7438E+00 -4.8204E+00 -1.4248E+01 H2 2505 1.008000 0.423800 4.3071E+00 -4.1098E+00 -1.4560E+01 O6 2506 15.999400 -0.847600 -1.0898E+01 3.1272E+00 1.5329E+01 H1 2507 1.008000 0.423800 -1.0045E+01 3.5394E+00 1.5651E+01 H2 2508 1.008000 0.423800 -1.0889E+01 2.1467E+00 1.5525E+01 O6 2509 15.999400 -0.847600 -1.7677E+01 -6.1217E+00 1.7717E+01 H1 2510 1.008000 0.423800 -1.7819E+01 -6.5727E+00 1.8598E+01 H2 2511 1.008000 0.423800 -1.8557E+01 -5.8153E+00 1.7354E+01 O6 2512 15.999400 -0.847600 6.5203E-01 -1.9027E+01 1.3976E+01 H1 2513 1.008000 0.423800 9.2339E-01 1.9240E+01 1.3489E+01 H2 2514 1.008000 0.423800 -2.2743E-01 -1.9178E+01 1.4427E+01 O6 2515 15.999400 -0.847600 -2.2821E+00 -1.6799E+01 -3.2902E+00 H1 2516 1.008000 0.423800 -1.3365E+00 -1.6722E+01 -2.9739E+00 H2 2517 1.008000 0.423800 -2.8999E+00 -1.6465E+01 -2.5783E+00 O6 2518 15.999400 -0.847600 1.4500E+01 -1.0868E+01 -1.2074E+01 H1 2519 1.008000 0.423800 1.4880E+01 -1.1526E+01 -1.2724E+01 H2 2520 1.008000 0.423800 1.4566E+01 -9.9461E+00 -1.2455E+01 O6 2521 15.999400 -0.847600 -1.2007E+01 -1.3250E+01 1.8899E+01 H1 2522 1.008000 0.423800 -1.2054E+01 -1.3938E+01 1.8175E+01 H2 2523 1.008000 0.423800 -1.2100E+01 -1.3696E+01 -1.9308E+01 O6 2524 15.999400 -0.847600 -1.0264E+01 1.2782E+00 -9.6854E+00 H1 2525 1.008000 0.423800 -1.0020E+01 3.2300E-01 -9.5181E+00 H2 2526 1.008000 0.423800 -1.0986E+01 1.3216E+00 -1.0377E+01 O6 2527 15.999400 -0.847600 -1.2519E+01 1.3464E+00 -1.1518E+01 H1 2528 1.008000 0.423800 -1.2848E+01 5.1857E-01 -1.1972E+01 H2 2529 1.008000 0.423800 -1.3134E+01 1.5807E+00 -1.0765E+01 O6 2530 15.999400 -0.847600 1.3776E+01 -1.1255E+01 -7.1651E+00 H1 2531 1.008000 0.423800 1.4602E+01 -1.1284E+01 -6.6020E+00 H2 2532 1.008000 0.423800 1.3964E+01 -1.1672E+01 -8.0541E+00 O6 2533 15.999400 -0.847600 -3.7349E+00 -1.6577E+01 1.6819E+01 H1 2534 1.008000 0.423800 -4.6825E+00 -1.6274E+01 1.6717E+01 H2 2535 1.008000 0.423800 -3.2244E+00 -1.6361E+01 1.5987E+01 O6 2536 15.999400 -0.847600 2.8009E+00 -4.7306E+00 1.6169E+01 H1 2537 1.008000 0.423800 3.6898E+00 -4.3467E+00 1.5919E+01 H2 2538 1.008000 0.423800 2.9018E+00 -5.7066E+00 1.6362E+01 O6 2539 15.999400 -0.847600 1.3082E+01 1.1636E+01 6.0754E+00 H1 2540 1.008000 0.423800 1.2996E+01 1.0662E+01 6.2830E+00 H2 2541 1.008000 0.423800 1.3068E+01 1.1768E+01 5.0843E+00 O6 2542 15.999400 -0.847600 1.1532E+01 8.8146E+00 2.9144E+00 H1 2543 1.008000 0.423800 1.1152E+01 9.5713E+00 2.3827E+00 H2 2544 1.008000 0.423800 1.1225E+01 8.8863E+00 3.8632E+00 O6 2545 15.999400 -0.847600 6.3325E-01 -1.3905E+01 -9.7297E+00 H1 2546 1.008000 0.423800 1.1621E+00 -1.3657E+01 -8.9180E+00 H2 2547 1.008000 0.423800 1.0736E+00 -1.3525E+01 -1.0543E+01 O6 2548 15.999400 -0.847600 -7.3869E+00 1.8322E+01 -8.6312E+00 H1 2549 1.008000 0.423800 -6.4984E+00 1.8316E+01 -8.1723E+00 H2 2550 1.008000 0.423800 -8.1035E+00 1.8535E+01 -7.9671E+00 O6 2551 15.999400 -0.847600 9.3956E+00 -1.3937E+01 7.7495E+00 H1 2552 1.008000 0.423800 9.4896E+00 -1.4097E+01 6.7667E+00 H2 2553 1.008000 0.423800 9.5776E+00 -1.4787E+01 8.2437E+00 O6 2554 15.999400 -0.847600 4.3763E+00 -2.8858E+00 -7.9424E-01 H1 2555 1.008000 0.423800 4.5892E+00 -3.5567E+00 -8.3862E-02 H2 2556 1.008000 0.423800 5.1284E+00 -2.2313E+00 -8.7070E-01 O6 2557 15.999400 -0.847600 -1.7052E+01 -1.7002E+01 -1.9418E+01 H1 2558 1.008000 0.423800 -1.7694E+01 -1.7439E+01 1.9050E+01 H2 2559 1.008000 0.423800 -1.6918E+01 -1.7588E+01 -1.8618E+01 O6 2560 15.999400 -0.847600 8.0625E+00 1.6952E+01 -4.0116E+00 H1 2561 1.008000 0.423800 8.8240E+00 1.7174E+01 -4.6207E+00 H2 2562 1.008000 0.423800 7.6797E+00 1.7796E+01 -3.6356E+00 O6 2563 15.999400 -0.847600 -1.1591E+01 -1.9394E+01 9.3770E+00 H1 2564 1.008000 0.423800 -1.2086E+01 -1.9375E+01 1.0246E+01 H2 2565 1.008000 0.423800 -1.2150E+01 -1.8969E+01 8.6653E+00 O6 2566 15.999400 -0.847600 1.2655E+01 -9.9534E+00 -2.2719E+00 H1 2567 1.008000 0.423800 1.2654E+01 -1.0565E+01 -1.4810E+00 H2 2568 1.008000 0.423800 1.1815E+01 -1.0087E+01 -2.7978E+00 O6 2569 15.999400 -0.847600 4.2777E+00 8.8121E+00 -6.1416E+00 H1 2570 1.008000 0.423800 4.0596E+00 8.4039E+00 -7.0281E+00 H2 2571 1.008000 0.423800 3.7095E+00 9.6226E+00 -5.9991E+00 O6 2572 15.999400 -0.847600 -7.0375E+00 -1.7272E+01 8.8164E+00 H1 2573 1.008000 0.423800 -6.6877E+00 -1.7131E+01 9.7426E+00 H2 2574 1.008000 0.423800 -6.2724E+00 -1.7425E+01 8.1909E+00 O6 2575 15.999400 -0.847600 1.4348E+01 -2.5976E+00 2.6167E+00 H1 2576 1.008000 0.423800 1.3577E+01 -3.2149E+00 2.4620E+00 H2 2577 1.008000 0.423800 1.4923E+01 -2.5708E+00 1.7987E+00 O6 2578 15.999400 -0.847600 -8.7683E+00 1.4624E+01 1.4601E+01 H1 2579 1.008000 0.423800 -8.0636E+00 1.4407E+01 1.5276E+01 H2 2580 1.008000 0.423800 -8.5192E+00 1.4224E+01 1.3719E+01 O6 2581 15.999400 -0.847600 1.5346E+01 5.7305E+00 1.1435E+01 H1 2582 1.008000 0.423800 1.5949E+01 5.4344E+00 1.2176E+01 H2 2583 1.008000 0.423800 1.5200E+01 4.9713E+00 1.0800E+01 O6 2584 15.999400 -0.847600 -1.7974E+01 3.7587E+00 -1.7519E+01 H1 2585 1.008000 0.423800 -1.7220E+01 4.0215E+00 -1.6916E+01 H2 2586 1.008000 0.423800 -1.8783E+01 4.3016E+00 -1.7296E+01 O6 2587 15.999400 -0.847600 1.0177E+01 -3.0859E+00 9.5645E+00 H1 2588 1.008000 0.423800 1.1025E+01 -3.6035E+00 9.6780E+00 H2 2589 1.008000 0.423800 9.6938E+00 -3.0423E+00 1.0439E+01 O6 2590 15.999400 -0.847600 1.5453E+00 1.0005E+01 -1.3472E+01 H1 2591 1.008000 0.423800 2.5212E+00 9.9097E+00 -1.3275E+01 H2 2592 1.008000 0.423800 1.3106E+00 1.0975E+01 -1.3534E+01 O6 2593 15.999400 -0.847600 -5.5451E+00 9.3883E+00 1.7289E+01 H1 2594 1.008000 0.423800 -4.5828E+00 9.1455E+00 1.7412E+01 H2 2595 1.008000 0.423800 -6.0509E+00 8.5902E+00 1.6961E+01 O6 2596 15.999400 -0.847600 -3.0031E+00 6.4290E+00 7.1767E+00 H1 2597 1.008000 0.423800 -2.1268E+00 6.7839E+00 7.5027E+00 H2 2598 1.008000 0.423800 -3.2774E+00 6.9244E+00 6.3525E+00 O6 2599 15.999400 -0.847600 -1.9107E+01 1.1603E+01 -4.2892E+00 H1 2600 1.008000 0.423800 -1.9008E+01 1.2033E+01 -3.3917E+00 H2 2601 1.008000 0.423800 -1.8905E+01 1.2273E+01 -5.0037E+00 O6 2602 15.999400 -0.847600 -5.9490E+00 -1.4848E+01 1.8613E+01 H1 2603 1.008000 0.423800 -6.2676E+00 -1.3979E+01 1.8991E+01 H2 2604 1.008000 0.423800 -5.0868E+00 -1.5105E+01 1.9049E+01 O6 2605 15.999400 -0.847600 1.8490E+01 -1.8487E+01 -1.2815E+01 H1 2606 1.008000 0.423800 1.8669E+01 -1.8445E+01 -1.3798E+01 H2 2607 1.008000 0.423800 1.7785E+01 -1.7819E+01 -1.2576E+01 O6 2608 15.999400 -0.847600 1.9316E+01 6.0064E+00 1.0047E+01 H1 2609 1.008000 0.423800 -1.9352E+01 6.0151E+00 9.1438E+00 H2 2610 1.008000 0.423800 1.8345E+01 5.7864E+00 9.9516E+00 O6 2611 15.999400 -0.847600 2.1881E+00 1.1220E+01 -1.9898E+00 H1 2612 1.008000 0.423800 1.3411E+00 1.1392E+01 -2.4930E+00 H2 2613 1.008000 0.423800 2.9602E+00 1.1605E+01 -2.4959E+00 O6 2614 15.999400 -0.847600 4.8406E+00 -1.2222E+01 1.1560E+01 H1 2615 1.008000 0.423800 4.8082E+00 -1.2156E+01 1.0562E+01 H2 2616 1.008000 0.423800 4.4555E+00 -1.1390E+01 1.1961E+01 O6 2617 15.999400 -0.847600 4.1583E+00 1.1260E+01 -3.8032E+00 H1 2618 1.008000 0.423800 3.6762E+00 1.1554E+01 -4.6282E+00 H2 2619 1.008000 0.423800 4.1673E+00 1.0260E+01 -3.7616E+00 O6 2620 15.999400 -0.847600 6.1537E+00 1.9090E+01 -1.0827E+00 H1 2621 1.008000 0.423800 6.5822E+00 -1.9105E+01 -1.0302E+00 H2 2622 1.008000 0.423800 5.8188E+00 1.8934E+01 -2.0119E+00 O6 2623 15.999400 -0.847600 -1.1845E-01 1.7547E+01 -1.3773E+00 H1 2624 1.008000 0.423800 2.8762E-01 1.8421E+01 -1.1103E+00 H2 2625 1.008000 0.423800 -6.1822E-01 1.7660E+01 -2.2360E+00 O6 2626 15.999400 -0.847600 1.0438E+01 1.0399E+01 -1.1053E+01 H1 2627 1.008000 0.423800 9.5652E+00 1.0620E+01 -1.0619E+01 H2 2628 1.008000 0.423800 1.0367E+01 9.5149E+00 -1.1515E+01 O6 2629 15.999400 -0.847600 -1.5885E+01 -1.2712E+01 -1.1012E+01 H1 2630 1.008000 0.423800 -1.5144E+01 -1.2322E+01 -1.1559E+01 H2 2631 1.008000 0.423800 -1.5585E+01 -1.2809E+01 -1.0063E+01 O6 2632 15.999400 -0.847600 -5.6081E+00 9.5901E-01 1.2754E+01 H1 2633 1.008000 0.423800 -6.5183E+00 1.2156E+00 1.3079E+01 H2 2634 1.008000 0.423800 -4.9870E+00 1.7362E+00 1.2854E+01 O6 2635 15.999400 -0.847600 1.5560E+01 -1.8025E+01 -1.9492E+00 H1 2636 1.008000 0.423800 1.5584E+01 -1.7181E+01 -1.4134E+00 H2 2637 1.008000 0.423800 1.5324E+01 -1.7812E+01 -2.8972E+00 O6 2638 15.999400 -0.847600 -6.4143E+00 -1.8581E+01 -1.5161E+01 H1 2639 1.008000 0.423800 -5.6579E+00 -1.7964E+01 -1.5379E+01 H2 2640 1.008000 0.423800 -6.2092E+00 -1.9075E+01 -1.4316E+01 O6 2641 15.999400 -0.847600 9.0583E+00 1.0533E+01 3.9809E+00 H1 2642 1.008000 0.423800 8.7789E+00 9.5748E+00 3.9209E+00 H2 2643 1.008000 0.423800 8.5718E+00 1.1066E+01 3.2887E+00 O6 2644 15.999400 -0.847600 2.0315E+00 -7.6311E+00 -1.1445E+01 H1 2645 1.008000 0.423800 1.0993E+00 -7.3327E+00 -1.1240E+01 H2 2646 1.008000 0.423800 2.1795E+00 -7.6056E+00 -1.2434E+01 O6 2647 15.999400 -0.847600 -1.1974E+01 5.2072E+00 -1.4641E+01 H1 2648 1.008000 0.423800 -1.2883E+01 5.5019E+00 -1.4346E+01 H2 2649 1.008000 0.423800 -1.1639E+01 4.4944E+00 -1.4025E+01 O6 2650 15.999400 -0.847600 -1.2938E+00 1.3662E+01 1.2147E+01 H1 2651 1.008000 0.423800 -1.4433E+00 1.4571E+01 1.1760E+01 H2 2652 1.008000 0.423800 -2.1471E+00 1.3324E+01 1.2544E+01 O6 2653 15.999400 -0.847600 -1.2898E+01 -5.0284E+00 -1.8736E+01 H1 2654 1.008000 0.423800 -1.3014E+01 -5.9935E+00 -1.8501E+01 H2 2655 1.008000 0.423800 -1.2127E+01 -4.9289E+00 -1.9365E+01 O6 2656 15.999400 -0.847600 -1.2284E+01 2.8033E+00 6.3788E+00 H1 2657 1.008000 0.423800 -1.2258E+01 3.2439E+00 5.4815E+00 H2 2658 1.008000 0.423800 -1.2550E+01 3.4736E+00 7.0716E+00 O6 2659 15.999400 -0.847600 -1.7886E+01 1.5626E+01 -1.2438E+01 H1 2660 1.008000 0.423800 -1.7521E+01 1.4720E+01 -1.2224E+01 H2 2661 1.008000 0.423800 -1.7137E+01 1.6231E+01 -1.2708E+01 O6 2662 15.999400 -0.847600 -1.7660E+01 1.2265E+01 1.4506E+01 H1 2663 1.008000 0.423800 -1.7827E+01 1.2461E+01 1.5472E+01 H2 2664 1.008000 0.423800 -1.8442E+01 1.2571E+01 1.3964E+01 O6 2665 15.999400 -0.847600 -9.6352E-01 9.0981E+00 -1.4402E+01 H1 2666 1.008000 0.423800 -1.4924E+00 9.7394E+00 -1.3847E+01 H2 2667 1.008000 0.423800 -2.3623E-02 9.4285E+00 -1.4489E+01 O6 2668 15.999400 -0.847600 -2.1539E+00 7.2098E+00 -1.6235E+01 H1 2669 1.008000 0.423800 -1.7890E+00 7.9430E+00 -1.5661E+01 H2 2670 1.008000 0.423800 -2.8517E+00 6.7049E+00 -1.5727E+01 O6 2671 15.999400 -0.847600 1.3116E+01 7.5367E+00 1.1599E+01 H1 2672 1.008000 0.423800 1.3950E+01 7.0361E+00 1.1829E+01 H2 2673 1.008000 0.423800 1.2421E+01 6.8951E+00 1.1273E+01 O6 2674 15.999400 -0.847600 -1.1748E+01 -1.6954E+01 -6.5835E+00 H1 2675 1.008000 0.423800 -1.1458E+01 -1.7123E+01 -5.6416E+00 H2 2676 1.008000 0.423800 -1.1016E+01 -1.7219E+01 -7.2106E+00 O6 2677 15.999400 -0.847600 6.1052E+00 -1.7681E+00 -1.5853E+01 H1 2678 1.008000 0.423800 6.0158E+00 -2.0733E+00 -1.6801E+01 H2 2679 1.008000 0.423800 5.7053E+00 -2.4526E+00 -1.5243E+01 O6 2680 15.999400 -0.847600 -1.7636E+01 -3.6920E+00 7.5772E+00 H1 2681 1.008000 0.423800 -1.7213E+01 -3.0166E+00 8.1809E+00 H2 2682 1.008000 0.423800 -1.8443E+01 -3.2911E+00 7.1427E+00 O6 2683 15.999400 -0.847600 1.1439E+01 6.1328E+00 -1.8169E+01 H1 2684 1.008000 0.423800 1.1610E+01 5.4198E+00 -1.7489E+01 H2 2685 1.008000 0.423800 1.2228E+01 6.7454E+00 -1.8215E+01 O6 2686 15.999400 -0.847600 -1.7648E+00 1.4133E+01 -1.1940E+01 H1 2687 1.008000 0.423800 -1.6711E+00 1.4637E+01 -1.2798E+01 H2 2688 1.008000 0.423800 -2.7324E+00 1.4067E+01 -1.1696E+01 O6 2689 15.999400 -0.847600 -1.8366E+01 1.8190E+01 -4.4413E-01 H1 2690 1.008000 0.423800 -1.7543E+01 1.7740E+01 -7.8913E-01 H2 2691 1.008000 0.423800 -1.8521E+01 1.7919E+01 5.0620E-01 O6 2692 15.999400 -0.847600 1.2037E+01 -1.4068E+01 4.6943E+00 H1 2693 1.008000 0.423800 1.2288E+01 -1.4432E+01 5.5911E+00 H2 2694 1.008000 0.423800 1.2531E+01 -1.3215E+01 4.5301E+00 O6 2695 15.999400 -0.847600 8.7882E+00 -1.2046E+01 -1.5250E+00 H1 2696 1.008000 0.423800 9.4858E+00 -1.2568E+01 -2.0161E+00 H2 2697 1.008000 0.423800 8.6538E+00 -1.2442E+01 -6.1663E-01 O6 2698 15.999400 -0.847600 -4.8844E+00 -8.9469E+00 1.9194E+01 H1 2699 1.008000 0.423800 -4.6621E+00 -8.3407E+00 1.8431E+01 H2 2700 1.008000 0.423800 -5.0247E+00 -9.8760E+00 1.8852E+01 O6 2701 15.999400 -0.847600 9.6265E+00 1.4334E+01 3.5265E+00 H1 2702 1.008000 0.423800 9.4382E+00 1.4358E+01 4.5083E+00 H2 2703 1.008000 0.423800 9.7196E+00 1.3385E+01 3.2274E+00 O6 2704 15.999400 -0.847600 7.4623E+00 -1.2147E+01 -5.3109E+00 H1 2705 1.008000 0.423800 7.1677E+00 -1.1985E+01 -6.2528E+00 H2 2706 1.008000 0.423800 7.7765E+00 -1.1287E+01 -4.9079E+00 O6 2707 15.999400 -0.847600 -1.1319E+01 3.9755E+00 -1.0473E+01 H1 2708 1.008000 0.423800 -1.0567E+01 3.5853E+00 -9.9428E+00 H2 2709 1.008000 0.423800 -1.1468E+01 3.4266E+00 -1.1295E+01 O6 2710 15.999400 -0.847600 2.6920E+00 -1.6817E+01 1.8267E+01 H1 2711 1.008000 0.423800 1.8263E+00 -1.6421E+01 1.7962E+01 H2 2712 1.008000 0.423800 3.0326E+00 -1.7450E+01 1.7572E+01 O6 2713 15.999400 -0.847600 -8.8794E+00 8.4809E+00 -9.4388E+00 H1 2714 1.008000 0.423800 -9.6867E+00 8.7729E+00 -9.9516E+00 H2 2715 1.008000 0.423800 -8.5829E+00 7.5838E+00 -9.7666E+00 O6 2716 15.999400 -0.847600 1.3285E+01 1.7265E+01 -7.4767E+00 H1 2717 1.008000 0.423800 1.3128E+01 1.7285E+01 -8.4642E+00 H2 2718 1.008000 0.423800 1.2458E+01 1.6944E+01 -7.0148E+00 O6 2719 15.999400 -0.847600 -5.3074E+00 1.4869E-01 -8.5804E-01 H1 2720 1.008000 0.423800 -4.7494E+00 8.7839E-01 -1.2532E+00 H2 2721 1.008000 0.423800 -5.3017E+00 2.2748E-01 1.3882E-01 O6 2722 15.999400 -0.847600 -1.9407E+01 -1.1604E+01 -1.5669E+01 H1 2723 1.008000 0.423800 -1.9025E+01 -1.1204E+01 -1.6502E+01 H2 2724 1.008000 0.423800 -1.8904E+01 -1.1264E+01 -1.4875E+01 O6 2725 15.999400 -0.847600 1.5304E+01 1.6661E+00 -1.4612E+01 H1 2726 1.008000 0.423800 1.5274E+01 9.0976E-01 -1.5265E+01 H2 2727 1.008000 0.423800 1.6161E+01 2.1689E+00 -1.4723E+01 O6 2728 15.999400 -0.847600 -1.3451E+01 -5.5714E+00 -8.0996E-01 H1 2729 1.008000 0.423800 -1.3121E+01 -5.7824E+00 1.1022E-01 H2 2730 1.008000 0.423800 -1.4415E+01 -5.3072E+00 -7.6622E-01 O6 2731 15.999400 -0.847600 5.9251E+00 -1.8287E+01 -6.0887E+00 H1 2732 1.008000 0.423800 5.5803E+00 -1.9106E+01 -5.6295E+00 H2 2733 1.008000 0.423800 6.7476E+00 -1.8518E+01 -6.6086E+00 O6 2734 15.999400 -0.847600 5.4931E-01 -1.5559E+00 -1.2451E+01 H1 2735 1.008000 0.423800 1.1009E+00 -2.2629E+00 -1.2008E+01 H2 2736 1.008000 0.423800 1.0196E+00 -6.7595E-01 -1.2384E+01 O6 2737 15.999400 -0.847600 -1.3654E+01 -7.8907E+00 -9.4738E+00 H1 2738 1.008000 0.423800 -1.3624E+01 -6.9959E+00 -9.0283E+00 H2 2739 1.008000 0.423800 -1.3911E+01 -7.7768E+00 -1.0433E+01 O6 2740 15.999400 -0.847600 1.1214E+00 -1.6794E+01 5.1182E+00 H1 2741 1.008000 0.423800 1.1746E+00 -1.7791E+01 5.0649E+00 H2 2742 1.008000 0.423800 1.8906E-01 -1.6498E+01 4.9103E+00 O6 2743 15.999400 -0.847600 -8.5637E+00 1.7743E+01 1.1910E+01 H1 2744 1.008000 0.423800 -9.2717E+00 1.7075E+01 1.2139E+01 H2 2745 1.008000 0.423800 -8.9898E+00 1.8561E+01 1.1522E+01 O6 2746 15.999400 -0.847600 1.5027E+00 1.4683E+01 -1.1734E+01 H1 2747 1.008000 0.423800 2.3055E+00 1.4097E+01 -1.1844E+01 H2 2748 1.008000 0.423800 1.0193E+00 1.4431E+01 -1.0895E+01 O6 2749 15.999400 -0.847600 -1.2538E+00 1.7162E+01 5.8822E+00 H1 2750 1.008000 0.423800 -1.1617E+00 1.7543E+01 4.9619E+00 H2 2751 1.008000 0.423800 -1.8850E+00 1.7727E+01 6.4143E+00 O6 2752 15.999400 -0.847600 2.7834E+00 7.1440E+00 1.5240E+01 H1 2753 1.008000 0.423800 1.9048E+00 6.8533E+00 1.5619E+01 H2 2754 1.008000 0.423800 2.8047E+00 8.1417E+00 1.5175E+01 O6 2755 15.999400 -0.847600 5.6214E+00 -1.7961E+00 -6.1886E+00 H1 2756 1.008000 0.423800 5.8303E+00 -2.4680E+00 -5.4780E+00 H2 2757 1.008000 0.423800 6.3874E+00 -1.1600E+00 -6.2813E+00 O6 2758 15.999400 -0.847600 -1.2533E+01 -9.7606E-01 -1.4896E+01 H1 2759 1.008000 0.423800 -1.2973E+01 -1.6797E+00 -1.5454E+01 H2 2760 1.008000 0.423800 -1.1541E+01 -1.0254E+00 -1.5018E+01 O6 2761 15.999400 -0.847600 1.6026E+01 -1.6322E+00 -2.1269E+00 H1 2762 1.008000 0.423800 1.6596E+01 -1.2085E+00 -2.8310E+00 H2 2763 1.008000 0.423800 1.5189E+01 -1.0974E+00 -2.0092E+00 O6 2764 15.999400 -0.847600 1.6343E+01 1.8952E+01 -1.2149E+01 H1 2765 1.008000 0.423800 1.7181E+01 1.9305E+01 -1.2566E+01 H2 2766 1.008000 0.423800 1.5633E+01 1.8868E+01 -1.2849E+01 O6 2767 15.999400 -0.847600 -1.8996E-01 2.9176E+00 -6.7373E+00 H1 2768 1.008000 0.423800 5.8806E-01 2.8782E+00 -7.3643E+00 H2 2769 1.008000 0.423800 -8.8377E-01 2.2575E+00 -7.0252E+00 O6 2770 15.999400 -0.847600 2.9822E+00 1.5181E+00 3.0942E+00 H1 2771 1.008000 0.423800 2.6436E+00 6.2984E-01 2.7836E+00 H2 2772 1.008000 0.423800 2.7281E+00 2.2220E+00 2.4310E+00 O6 2773 15.999400 -0.847600 -4.8524E+00 1.0570E+01 1.2654E+01 H1 2774 1.008000 0.423800 -5.5752E+00 1.0680E+01 1.3336E+01 H2 2775 1.008000 0.423800 -4.6918E+00 9.5962E+00 1.2492E+01 O6 2776 15.999400 -0.847600 1.8087E+01 -7.9544E+00 -3.4828E+00 H1 2777 1.008000 0.423800 1.8362E+01 -8.3519E+00 -4.3583E+00 H2 2778 1.008000 0.423800 1.7113E+01 -8.1244E+00 -3.3306E+00 O6 2779 15.999400 -0.847600 1.1388E+01 -8.0043E+00 5.6775E+00 H1 2780 1.008000 0.423800 1.1281E+01 -8.7236E+00 6.3640E+00 H2 2781 1.008000 0.423800 1.1638E+01 -7.1476E+00 6.1286E+00 O6 2782 15.999400 -0.847600 1.6042E+01 -1.7506E+01 1.3314E+01 H1 2783 1.008000 0.423800 1.6970E+01 -1.7266E+01 1.3599E+01 H2 2784 1.008000 0.423800 1.5389E+01 -1.7171E+01 1.3993E+01 O6 2785 15.999400 -0.847600 -8.0990E-01 9.8650E+00 1.3013E+01 H1 2786 1.008000 0.423800 -4.4679E-01 8.9397E+00 1.2903E+01 H2 2787 1.008000 0.423800 -1.2043E+00 1.0173E+01 1.2147E+01 O6 2788 15.999400 -0.847600 9.3705E+00 3.5063E+00 2.5773E+00 H1 2789 1.008000 0.423800 9.0475E+00 4.2705E+00 3.1356E+00 H2 2790 1.008000 0.423800 9.2741E+00 2.6540E+00 3.0913E+00 O6 2791 15.999400 -0.847600 -9.8479E+00 1.4039E+01 7.5830E+00 H1 2792 1.008000 0.423800 -1.0345E+01 1.4502E+01 8.3173E+00 H2 2793 1.008000 0.423800 -8.9108E+00 1.3855E+01 7.8792E+00 O6 2794 15.999400 -0.847600 6.3568E+00 1.0367E+00 -1.2454E+01 H1 2795 1.008000 0.423800 6.2012E+00 3.1409E-01 -1.1780E+01 H2 2796 1.008000 0.423800 5.6418E+00 1.7308E+00 -1.2369E+01 O6 2797 15.999400 -0.847600 8.0703E-01 1.2551E+01 -1.3897E+01 H1 2798 1.008000 0.423800 2.4049E-01 1.2674E+01 -1.4712E+01 H2 2799 1.008000 0.423800 1.0871E+00 1.3446E+01 -1.3548E+01 O6 2800 15.999400 -0.847600 -2.9931E+00 -2.5860E+00 -1.9480E+01 H1 2801 1.008000 0.423800 -2.2525E+00 -3.0400E+00 1.9122E+01 H2 2802 1.008000 0.423800 -2.6158E+00 -2.0901E+00 -1.8698E+01 O6 2803 15.999400 -0.847600 1.5936E+01 7.4155E+00 5.0151E+00 H1 2804 1.008000 0.423800 1.5774E+01 8.1451E+00 5.6793E+00 H2 2805 1.008000 0.423800 1.6533E+01 6.7230E+00 5.4202E+00 O6 2806 15.999400 -0.847600 6.9176E+00 1.7266E+00 -4.1653E+00 H1 2807 1.008000 0.423800 6.1297E+00 1.3957E+00 -3.6460E+00 H2 2808 1.008000 0.423800 7.0513E+00 2.7008E+00 -3.9835E+00 O6 2809 15.999400 -0.847600 -8.5236E+00 -2.7895E+00 -1.3495E+01 H1 2810 1.008000 0.423800 -9.3296E+00 -3.2825E+00 -1.3167E+01 H2 2811 1.008000 0.423800 -8.4267E+00 -1.9339E+00 -1.2986E+01 O6 2812 15.999400 -0.847600 -1.5744E+01 -5.9821E+00 2.5318E+00 H1 2813 1.008000 0.423800 -1.5719E+01 -5.5146E+00 1.6482E+00 H2 2814 1.008000 0.423800 -1.6543E+01 -5.6745E+00 3.0489E+00 O6 2815 15.999400 -0.847600 -1.7423E+01 1.3210E+01 -1.1690E+01 H1 2816 1.008000 0.423800 -1.6568E+01 1.2810E+01 -1.1361E+01 H2 2817 1.008000 0.423800 -1.7679E+01 1.2783E+01 -1.2557E+01 O6 2818 15.999400 -0.847600 1.4485E+01 8.0717E+00 9.1817E+00 H1 2819 1.008000 0.423800 1.4094E+01 7.8620E+00 1.0078E+01 H2 2820 1.008000 0.423800 1.5185E+01 7.3938E+00 8.9570E+00 O6 2821 15.999400 -0.847600 8.4222E+00 1.4581E+01 -3.4810E-01 H1 2822 1.008000 0.423800 7.9201E+00 1.5441E+01 -2.5455E-01 H2 2823 1.008000 0.423800 9.2085E+00 1.4718E+01 -9.5055E-01 O6 2824 15.999400 -0.847600 -2.7480E+00 -2.8746E+00 -1.0213E+01 H1 2825 1.008000 0.423800 -1.8775E+00 -3.3626E+00 -1.0278E+01 H2 2826 1.008000 0.423800 -3.2795E+00 -3.0288E+00 -1.1046E+01 O6 2827 15.999400 -0.847600 6.7320E+00 -1.8076E+01 7.6236E+00 H1 2828 1.008000 0.423800 7.5053E+00 -1.8705E+01 7.5461E+00 H2 2829 1.008000 0.423800 7.0623E+00 -1.7175E+01 7.9062E+00 O6 2830 15.999400 -0.847600 -1.3669E+01 6.1907E+00 1.4703E+00 H1 2831 1.008000 0.423800 -1.2971E+01 5.4761E+00 1.5192E+00 H2 2832 1.008000 0.423800 -1.3229E+01 7.0764E+00 1.3216E+00 O6 2833 15.999400 -0.847600 -1.1924E+01 7.1933E+00 -1.5858E+00 H1 2834 1.008000 0.423800 -1.1671E+01 6.2302E+00 -1.4947E+00 H2 2835 1.008000 0.423800 -1.1942E+01 7.6201E+00 -6.8162E-01 O6 2836 15.999400 -0.847600 5.3781E+00 -1.2438E+01 8.8761E+00 H1 2837 1.008000 0.423800 5.1141E+00 -1.1675E+01 8.2859E+00 H2 2838 1.008000 0.423800 4.8889E+00 -1.3263E+01 8.5933E+00 O6 2839 15.999400 -0.847600 -1.5791E+01 -7.3116E+00 -1.7481E+01 H1 2840 1.008000 0.423800 -1.6580E+01 -7.1455E+00 -1.8072E+01 H2 2841 1.008000 0.423800 -1.5923E+01 -8.1677E+00 -1.6981E+01 O6 2842 15.999400 -0.847600 1.4170E+01 5.2597E+00 -9.7634E-01 H1 2843 1.008000 0.423800 1.4680E+01 5.9039E+00 -1.5464E+00 H2 2844 1.008000 0.423800 1.4642E+01 5.1416E+00 -1.0281E-01 O6 2845 15.999400 -0.847600 1.8637E+01 7.3886E+00 -7.5546E+00 H1 2846 1.008000 0.423800 1.9207E+01 8.2037E+00 -7.6573E+00 H2 2847 1.008000 0.423800 1.7866E+01 7.5951E+00 -6.9519E+00 O6 2848 15.999400 -0.847600 -1.4137E+01 1.0533E+01 1.6508E+01 H1 2849 1.008000 0.423800 -1.5097E+01 1.0256E+01 1.6480E+01 H2 2850 1.008000 0.423800 -1.3771E+01 1.0560E+01 1.5578E+01 O6 2851 15.999400 -0.847600 -1.5240E+01 -7.9035E+00 -1.1731E+01 H1 2852 1.008000 0.423800 -1.6176E+01 -8.0005E+00 -1.1392E+01 H2 2853 1.008000 0.423800 -1.5104E+01 -6.9736E+00 -1.2073E+01 O6 2854 15.999400 -0.847600 -8.0340E+00 1.2705E+01 -1.5206E+00 H1 2855 1.008000 0.423800 -8.5327E+00 1.3421E+01 -1.0324E+00 H2 2856 1.008000 0.423800 -7.9589E+00 1.1895E+01 -9.3855E-01 O6 2857 15.999400 -0.847600 1.4280E+00 -1.1593E+01 8.8319E+00 H1 2858 1.008000 0.423800 1.9086E+00 -1.2016E+01 8.0633E+00 H2 2859 1.008000 0.423800 1.3920E+00 -1.2237E+01 9.5965E+00 O6 2860 15.999400 -0.847600 -3.4571E+00 -3.6761E+00 -1.4984E+01 H1 2861 1.008000 0.423800 -3.7998E+00 -4.6016E+00 -1.5146E+01 H2 2862 1.008000 0.423800 -2.5646E+00 -3.5700E+00 -1.5423E+01 O6 2863 15.999400 -0.847600 1.1215E+01 -6.4980E+00 1.4884E+01 H1 2864 1.008000 0.423800 1.0783E+01 -5.6618E+00 1.5222E+01 H2 2865 1.008000 0.423800 1.0509E+01 -7.1690E+00 1.4656E+01 O6 2866 15.999400 -0.847600 4.4537E+00 -2.3398E+00 2.4557E+00 H1 2867 1.008000 0.423800 4.5332E+00 -3.1826E+00 1.9234E+00 H2 2868 1.008000 0.423800 3.6999E+00 -1.7891E+00 2.0972E+00 O6 2869 15.999400 -0.847600 1.7510E+01 -1.6713E+01 3.2054E+00 H1 2870 1.008000 0.423800 1.7810E+01 -1.7656E+01 3.0624E+00 H2 2871 1.008000 0.423800 1.6892E+01 -1.6676E+01 3.9906E+00 O6 2872 15.999400 -0.847600 1.5512E+01 7.0866E+00 2.2736E+00 H1 2873 1.008000 0.423800 1.5625E+01 6.1896E+00 1.8461E+00 H2 2874 1.008000 0.423800 1.5728E+01 7.0208E+00 3.2480E+00 O6 2875 15.999400 -0.847600 1.0741E+01 1.5516E+01 -1.8358E+01 H1 2876 1.008000 0.423800 1.1420E+01 1.4788E+01 -1.8267E+01 H2 2877 1.008000 0.423800 1.1093E+01 1.6355E+01 -1.7943E+01 O6 2878 15.999400 -0.847600 -7.5556E+00 -3.5717E+00 -1.5930E+01 H1 2879 1.008000 0.423800 -7.7072E+00 -3.2651E+00 -1.4990E+01 H2 2880 1.008000 0.423800 -6.7667E+00 -4.1857E+00 -1.5957E+01 O6 2881 15.999400 -0.847600 -1.1847E+01 -1.6299E+01 1.4374E+01 H1 2882 1.008000 0.423800 -1.1579E+01 -1.7128E+01 1.4865E+01 H2 2883 1.008000 0.423800 -1.1909E+01 -1.6496E+01 1.3396E+01 O6 2884 15.999400 -0.847600 -6.5172E+00 2.5880E+00 -1.7673E+01 H1 2885 1.008000 0.423800 -6.9779E+00 3.2479E+00 -1.8266E+01 H2 2886 1.008000 0.423800 -6.3141E+00 1.7577E+00 -1.8192E+01 O6 2887 15.999400 -0.847600 -1.0333E+00 7.0293E+00 -1.2486E+01 H1 2888 1.008000 0.423800 -9.0516E-01 7.6445E+00 -1.3263E+01 H2 2889 1.008000 0.423800 -2.6962E-01 7.1341E+00 -1.1849E+01 O6 2890 15.999400 -0.847600 8.3536E+00 3.3095E+00 2.1758E-01 H1 2891 1.008000 0.423800 8.8387E+00 3.3470E+00 1.0913E+00 H2 2892 1.008000 0.423800 8.1508E+00 2.3572E+00 -1.0381E-02 O6 2893 15.999400 -0.847600 -3.2661E+00 -1.2785E+01 -1.0689E+01 H1 2894 1.008000 0.423800 -2.6923E+00 -1.3603E+01 -1.0742E+01 H2 2895 1.008000 0.423800 -4.2270E+00 -1.3056E+01 -1.0631E+01 O6 2896 15.999400 -0.847600 -1.3064E+01 1.5034E+01 -5.2635E-01 H1 2897 1.008000 0.423800 -1.2243E+01 1.4864E+01 -1.0715E+00 H2 2898 1.008000 0.423800 -1.2924E+01 1.5844E+01 4.2796E-02 O6 2899 15.999400 -0.847600 -8.2088E+00 -1.7850E+01 1.6886E+01 H1 2900 1.008000 0.423800 -8.6500E+00 -1.8501E+01 1.6268E+01 H2 2901 1.008000 0.423800 -7.8793E+00 -1.7064E+01 1.6362E+01 O6 2902 15.999400 -0.847600 -8.3301E+00 -1.1952E+01 -4.7715E+00 H1 2903 1.008000 0.423800 -8.5979E+00 -1.2583E+01 -4.0433E+00 H2 2904 1.008000 0.423800 -9.0956E+00 -1.1345E+01 -4.9848E+00 O6 2905 15.999400 -0.847600 -7.2308E+00 1.3634E+01 8.4025E+00 H1 2906 1.008000 0.423800 -6.5935E+00 1.4111E+01 9.0084E+00 H2 2907 1.008000 0.423800 -7.1932E+00 1.2652E+01 8.5851E+00 O6 2908 15.999400 -0.847600 2.0776E+00 -1.8805E+01 1.6514E+01 H1 2909 1.008000 0.423800 1.6701E+00 -1.8602E+01 1.5624E+01 H2 2910 1.008000 0.423800 1.3572E+00 -1.9055E+01 1.7162E+01 O6 2911 15.999400 -0.847600 8.9343E+00 -5.1892E+00 -5.2464E+00 H1 2912 1.008000 0.423800 9.3708E+00 -4.4544E+00 -4.7271E+00 H2 2913 1.008000 0.423800 8.1984E+00 -5.5907E+00 -4.7012E+00 O6 2914 15.999400 -0.847600 -1.8371E+01 3.2629E+00 1.6731E+01 H1 2915 1.008000 0.423800 -1.9085E+01 2.7681E+00 1.7226E+01 H2 2916 1.008000 0.423800 -1.8541E+01 4.2462E+00 1.6795E+01 O6 2917 15.999400 -0.847600 1.0408E+01 -1.0859E+00 -6.3615E+00 H1 2918 1.008000 0.423800 1.0102E+01 -1.4679E+00 -5.4892E+00 H2 2919 1.008000 0.423800 1.0624E+01 -1.8299E+00 -6.9938E+00 O6 2920 15.999400 -0.847600 -1.2652E+01 -1.4465E+01 6.1953E+00 H1 2921 1.008000 0.423800 -1.2060E+01 -1.3959E+01 5.5679E+00 H2 2922 1.008000 0.423800 -1.3175E+01 -1.5147E+01 5.6836E+00 O6 2923 15.999400 -0.847600 -2.0427E+00 -1.6446E+01 4.7095E+00 H1 2924 1.008000 0.423800 -1.9798E+00 -1.6092E+01 5.6429E+00 H2 2925 1.008000 0.423800 -2.3137E+00 -1.7408E+01 4.7349E+00 O6 2926 15.999400 -0.847600 1.1081E+01 2.3961E+00 1.1949E+01 H1 2927 1.008000 0.423800 1.1813E+01 2.0741E+00 1.1350E+01 H2 2928 1.008000 0.423800 1.0523E+01 1.6191E+00 1.2241E+01 O6 2929 15.999400 -0.847600 -1.6415E+01 4.8850E+00 1.1365E+01 H1 2930 1.008000 0.423800 -1.7041E+01 4.4044E+00 1.0750E+01 H2 2931 1.008000 0.423800 -1.6942E+01 5.3749E+00 1.2060E+01 O6 2932 15.999400 -0.847600 9.9252E+00 -5.0776E+00 6.7783E+00 H1 2933 1.008000 0.423800 1.0886E+01 -5.0640E+00 6.5006E+00 H2 2934 1.008000 0.423800 9.5786E+00 -4.1407E+00 6.8255E+00 O6 2935 15.999400 -0.847600 -3.5069E-02 -1.4677E+01 -1.8901E+01 H1 2936 1.008000 0.423800 -7.7158E-01 -1.4174E+01 -1.9354E+01 H2 2937 1.008000 0.423800 -4.1681E-01 -1.5465E+01 -1.8419E+01 O6 2938 15.999400 -0.847600 -1.7986E+01 -7.0810E+00 -1.8871E+01 H1 2939 1.008000 0.423800 -1.8216E+01 -6.1609E+00 -1.8553E+01 H2 2940 1.008000 0.423800 -1.8814E+01 -7.6416E+00 -1.8895E+01 O6 2941 15.999400 -0.847600 -5.4560E-01 -7.5930E+00 -1.6254E+01 H1 2942 1.008000 0.423800 2.1350E-01 -7.0790E+00 -1.6653E+01 H2 2943 1.008000 0.423800 -1.3325E+00 -7.5581E+00 -1.6870E+01 O6 2944 15.999400 -0.847600 1.9217E+01 1.9374E+00 -1.8405E+01 H1 2945 1.008000 0.423800 -1.9025E+01 2.4469E+00 -1.8322E+01 H2 2946 1.008000 0.423800 1.8926E+01 1.9269E+00 -1.9362E+01 O6 2947 15.999400 -0.847600 1.4317E+01 -6.4168E-01 5.2546E+00 H1 2948 1.008000 0.423800 1.4005E+01 -1.5656E+00 5.4751E+00 H2 2949 1.008000 0.423800 1.4189E+01 -4.7080E-01 4.2776E+00 O6 2950 15.999400 -0.847600 1.5107E+01 1.4097E+01 1.3664E+01 H1 2951 1.008000 0.423800 1.4342E+01 1.3767E+01 1.3111E+01 H2 2952 1.008000 0.423800 1.5969E+01 1.3797E+01 1.3254E+01 O6 2953 15.999400 -0.847600 -8.4728E-01 1.7753E+00 -1.5497E+01 H1 2954 1.008000 0.423800 -2.2485E-01 1.0032E+00 -1.5369E+01 H2 2955 1.008000 0.423800 -1.4307E+00 1.6050E+00 -1.6291E+01 O6 2956 15.999400 -0.847600 1.0962E+01 8.6816E+00 5.7029E+00 H1 2957 1.008000 0.423800 1.0304E+01 9.0394E+00 6.3655E+00 H2 2958 1.008000 0.423800 1.1844E+01 8.5415E+00 6.1519E+00 O6 2959 15.999400 -0.847600 5.5073E+00 -1.4146E+01 -5.2238E+00 H1 2960 1.008000 0.423800 4.9569E+00 -1.3754E+01 -4.4866E+00 H2 2961 1.008000 0.423800 6.3052E+00 -1.3566E+01 -5.3885E+00 O6 2962 15.999400 -0.847600 1.7208E+01 -3.5427E+00 6.4800E+00 H1 2963 1.008000 0.423800 1.6986E+01 -3.5759E+00 5.5055E+00 H2 2964 1.008000 0.423800 1.7417E+01 -4.4648E+00 6.8058E+00 O6 2965 15.999400 -0.847600 -1.1859E+01 -1.8843E+01 -9.1666E+00 H1 2966 1.008000 0.423800 -1.2379E+01 -1.8990E+01 -8.3249E+00 H2 2967 1.008000 0.423800 -1.2483E+01 -1.8851E+01 -9.9486E+00 O6 2968 15.999400 -0.847600 5.0379E+00 -3.3385E+00 1.0212E+01 H1 2969 1.008000 0.423800 5.1808E+00 -2.4220E+00 9.8383E+00 H2 2970 1.008000 0.423800 4.6323E+00 -3.2674E+00 1.1123E+01 O6 2971 15.999400 -0.847600 1.5574E+00 1.0920E+01 1.3072E+01 H1 2972 1.008000 0.423800 5.8338E-01 1.0706E+01 1.3147E+01 H2 2973 1.008000 0.423800 1.6685E+00 1.1852E+01 1.2728E+01 O6 2974 15.999400 -0.847600 -1.5908E+01 1.6692E+01 2.3922E+00 H1 2975 1.008000 0.423800 -1.5265E+01 1.7301E+01 2.8559E+00 H2 2976 1.008000 0.423800 -1.5551E+01 1.5758E+01 2.4064E+00 O6 2977 15.999400 -0.847600 1.2811E+00 -3.3004E+00 -4.7094E+00 H1 2978 1.008000 0.423800 7.2937E-01 -2.4665E+00 -4.6959E+00 H2 2979 1.008000 0.423800 7.5613E-01 -4.0539E+00 -4.3136E+00 O6 2980 15.999400 -0.847600 1.2636E+01 2.9408E+00 -7.4481E+00 H1 2981 1.008000 0.423800 1.1723E+01 2.5882E+00 -7.2431E+00 H2 2982 1.008000 0.423800 1.3142E+01 2.2646E+00 -7.9837E+00 O6 2983 15.999400 -0.847600 2.7113E+00 3.7523E-01 -4.5121E+00 H1 2984 1.008000 0.423800 2.3937E+00 -4.4898E-01 -4.0432E+00 H2 2985 1.008000 0.423800 3.4036E+00 8.3101E-01 -3.9527E+00 O6 2986 15.999400 -0.847600 -1.1229E+01 -1.4289E+00 1.1423E+01 H1 2987 1.008000 0.423800 -1.0600E+01 -9.5856E-01 1.2041E+01 H2 2988 1.008000 0.423800 -1.0750E+01 -2.1776E+00 1.0965E+01 O6 2989 15.999400 -0.847600 1.6031E+01 1.0517E+01 -2.3113E+00 H1 2990 1.008000 0.423800 1.6636E+01 1.1290E+01 -2.1188E+00 H2 2991 1.008000 0.423800 1.5153E+01 1.0660E+01 -1.8547E+00 O6 2992 15.999400 -0.847600 4.9216E+00 1.8244E+01 1.7846E+01 H1 2993 1.008000 0.423800 4.2891E+00 1.8095E+01 1.8606E+01 H2 2994 1.008000 0.423800 5.6698E+00 1.7583E+01 1.7901E+01 O6 2995 15.999400 -0.847600 1.2587E+01 -1.4667E+01 -1.7141E+01 H1 2996 1.008000 0.423800 1.2266E+01 -1.4220E+01 -1.7976E+01 H2 2997 1.008000 0.423800 1.1802E+01 -1.4982E+01 -1.6608E+01 O6 2998 15.999400 -0.847600 -1.7627E+01 2.9842E+00 1.3319E+00 H1 2999 1.008000 0.423800 -1.8237E+01 3.5052E+00 7.3432E-01 H2 3000 1.008000 0.423800 -1.8032E+01 2.0898E+00 1.5224E+00 O6 3001 15.999400 -0.847600 -3.7425E-01 1.5286E+01 -9.4523E+00 H1 3002 1.008000 0.423800 -6.6910E-01 1.5033E+01 -1.0374E+01 H2 3003 1.008000 0.423800 -2.8172E-01 1.4461E+01 -8.8946E+00 O6 3004 15.999400 -0.847600 1.2662E+01 1.3495E+01 1.2943E+01 H1 3005 1.008000 0.423800 1.1889E+01 1.3758E+01 1.3520E+01 H2 3006 1.008000 0.423800 1.2551E+01 1.3896E+01 1.2033E+01 O6 3007 15.999400 -0.847600 3.9848E+00 2.7612E+00 -1.1647E+01 H1 3008 1.008000 0.423800 3.7679E+00 2.2339E+00 -1.0826E+01 H2 3009 1.008000 0.423800 3.5216E+00 3.6465E+00 -1.1607E+01 O6 3010 15.999400 -0.847600 -1.7833E+01 -1.0127E+01 1.7153E+01 H1 3011 1.008000 0.423800 -1.7919E+01 -1.0978E+01 1.6635E+01 H2 3012 1.008000 0.423800 -1.7552E+01 -9.3896E+00 1.6537E+01 O6 3013 15.999400 -0.847600 8.6520E+00 -1.5071E+01 -3.8572E+00 H1 3014 1.008000 0.423800 8.8482E+00 -1.4639E+01 -2.9771E+00 H2 3015 1.008000 0.423800 7.7848E+00 -1.5566E+01 -3.7995E+00 O6 3016 15.999400 -0.847600 -1.8918E+00 -5.8078E+00 1.5180E+01 H1 3017 1.008000 0.423800 -2.8253E+00 -5.5055E+00 1.4987E+01 H2 3018 1.008000 0.423800 -1.9037E+00 -6.7669E+00 1.5463E+01 O6 3019 15.999400 -0.847600 -1.0799E+01 7.6264E+00 1.1222E+01 H1 3020 1.008000 0.423800 -1.1529E+01 7.4274E+00 1.1875E+01 H2 3021 1.008000 0.423800 -1.0831E+01 8.5937E+00 1.0970E+01 O6 3022 15.999400 -0.847600 8.6861E+00 -1.1250E+01 -1.6666E+01 H1 3023 1.008000 0.423800 9.2433E+00 -1.1365E+01 -1.5844E+01 H2 3024 1.008000 0.423800 8.3634E+00 -1.0305E+01 -1.6721E+01 O6 3025 15.999400 -0.847600 -8.1559E+00 -5.5460E+00 -4.7453E+00 H1 3026 1.008000 0.423800 -8.1083E+00 -4.8334E+00 -4.0452E+00 H2 3027 1.008000 0.423800 -8.2589E+00 -6.4384E+00 -4.3060E+00 O6 3028 15.999400 -0.847600 -1.0528E+01 -1.0542E+01 -5.4377E+00 H1 3029 1.008000 0.423800 -1.1359E+01 -1.1097E+01 -5.3963E+00 H2 3030 1.008000 0.423800 -1.0540E+01 -9.8674E+00 -4.6998E+00 O6 3031 15.999400 -0.847600 -1.8043E+01 -1.3131E+01 7.9764E+00 H1 3032 1.008000 0.423800 -1.8929E+01 -1.3000E+01 8.4216E+00 H2 3033 1.008000 0.423800 -1.7729E+01 -1.4068E+01 8.1286E+00 O6 3034 15.999400 -0.847600 1.0032E+01 9.0067E+00 -1.6697E+01 H1 3035 1.008000 0.423800 1.0224E+01 9.3314E+00 -1.7623E+01 H2 3036 1.008000 0.423800 9.0798E+00 8.7059E+00 -1.6641E+01 O6 3037 15.999400 -0.847600 2.7590E+00 -6.3007E+00 1.7290E-01 H1 3038 1.008000 0.423800 2.3969E+00 -5.5343E+00 -3.5765E-01 H2 3039 1.008000 0.423800 2.2960E+00 -7.1437E+00 -1.0078E-01 O6 3040 15.999400 -0.847600 -1.6803E+01 -1.1287E+01 1.2490E+01 H1 3041 1.008000 0.423800 -1.6453E+01 -1.2166E+01 1.2164E+01 H2 3042 1.008000 0.423800 -1.6946E+01 -1.1332E+01 1.3479E+01 O6 3043 15.999400 -0.847600 1.5366E+01 -1.5655E+01 -4.7034E-01 H1 3044 1.008000 0.423800 1.5767E+01 -1.5312E+01 3.7920E-01 H2 3045 1.008000 0.423800 1.5753E+01 -1.5156E+01 -1.2462E+00 O6 3046 15.999400 -0.847600 3.0689E+00 -1.0543E+00 1.4038E+01 H1 3047 1.008000 0.423800 2.6914E+00 -1.0490E+00 1.4964E+01 H2 3048 1.008000 0.423800 2.9690E+00 -1.4576E-01 1.3632E+01 O6 3049 15.999400 -0.847600 1.4064E+00 -1.6604E+01 1.3266E-01 H1 3050 1.008000 0.423800 1.3582E+00 -1.5750E+01 6.5175E-01 H2 3051 1.008000 0.423800 2.3633E+00 -1.6828E+01 -5.1463E-02 O6 3052 15.999400 -0.847600 1.9330E+01 8.1892E-01 -5.9843E+00 H1 3053 1.008000 0.423800 -1.9019E+01 4.7370E-01 -6.5501E+00 H2 3054 1.008000 0.423800 1.8865E+01 1.5631E+00 -6.4642E+00 O6 3055 15.999400 -0.847600 -9.9433E+00 -1.2735E+00 -1.5613E+01 H1 3056 1.008000 0.423800 -9.1895E+00 -1.6984E+00 -1.5112E+01 H2 3057 1.008000 0.423800 -9.9314E+00 -1.5883E+00 -1.6562E+01 O6 3058 15.999400 -0.847600 9.2989E+00 -5.7321E+00 1.9369E+00 H1 3059 1.008000 0.423800 9.7915E+00 -5.9420E+00 2.7815E+00 H2 3060 1.008000 0.423800 8.7329E+00 -6.5148E+00 1.6780E+00 O6 3061 15.999400 -0.847600 1.5607E+01 1.0473E+01 1.5339E+01 H1 3062 1.008000 0.423800 1.5403E+01 9.9001E+00 1.6132E+01 H2 3063 1.008000 0.423800 1.4754E+01 1.0829E+01 1.4956E+01 O6 3064 15.999400 -0.847600 -2.3653E+00 -1.1689E+01 1.5701E+01 H1 3065 1.008000 0.423800 -1.4795E+00 -1.1296E+01 1.5949E+01 H2 3066 1.008000 0.423800 -2.2480E+00 -1.2653E+01 1.5463E+01 O6 3067 15.999400 -0.847600 1.8854E+00 1.5295E+01 2.7308E+00 H1 3068 1.008000 0.423800 2.3905E+00 1.6153E+01 2.8249E+00 H2 3069 1.008000 0.423800 1.4897E+00 1.5240E+01 1.8141E+00 O6 3070 15.999400 -0.847600 -1.7731E+01 1.9136E+01 -1.5134E+01 H1 3071 1.008000 0.423800 -1.7946E+01 1.8195E+01 -1.5397E+01 H2 3072 1.008000 0.423800 -1.8571E+01 -1.9493E+01 -1.4860E+01 O6 3073 15.999400 -0.847600 -2.2038E+00 1.8613E+01 8.1337E+00 H1 3074 1.008000 0.423800 -3.1788E+00 1.8823E+01 8.0593E+00 H2 3075 1.008000 0.423800 -1.9295E+00 1.8640E+01 9.0950E+00 O6 3076 15.999400 -0.847600 -3.1328E+00 -1.5806E+01 1.4003E+01 H1 3077 1.008000 0.423800 -2.3251E+00 -1.5302E+01 1.4310E+01 H2 3078 1.008000 0.423800 -3.4092E+00 -1.5476E+01 1.3101E+01 O6 3079 15.999400 -0.847600 1.4129E+01 1.4034E+01 4.2306E+00 H1 3080 1.008000 0.423800 1.5116E+01 1.3938E+01 4.0996E+00 H2 3081 1.008000 0.423800 1.3648E+01 1.3603E+01 3.4676E+00 O6 3082 15.999400 -0.847600 -1.3618E+01 -1.7617E+01 -2.0093E+00 H1 3083 1.008000 0.423800 -1.3839E+01 -1.6642E+01 -2.0252E+00 H2 3084 1.008000 0.423800 -1.3105E+01 -1.7829E+01 -1.1773E+00 O6 3085 15.999400 -0.847600 1.4166E+01 9.4119E+00 2.4277E+00 H1 3086 1.008000 0.423800 1.3217E+01 9.1906E+00 2.6558E+00 H2 3087 1.008000 0.423800 1.4705E+01 8.5705E+00 2.3915E+00 O6 3088 15.999400 -0.847600 -4.5715E+00 4.8397E+00 3.5303E+00 H1 3089 1.008000 0.423800 -3.6366E+00 5.1544E+00 3.3664E+00 H2 3090 1.008000 0.423800 -5.0692E+00 5.5315E+00 4.0534E+00 O6 3091 15.999400 -0.847600 1.3151E-01 7.2351E+00 1.2677E+01 H1 3092 1.008000 0.423800 -7.6209E-01 6.7878E+00 1.2716E+01 H2 3093 1.008000 0.423800 8.3732E-01 6.5533E+00 1.2484E+01 O6 3094 15.999400 -0.847600 -6.6356E+00 -6.0356E+00 7.2034E+00 H1 3095 1.008000 0.423800 -7.2876E+00 -6.5895E+00 7.7212E+00 H2 3096 1.008000 0.423800 -6.0846E+00 -5.4912E+00 7.8358E+00 O6 3097 15.999400 -0.847600 -1.7845E+01 3.1998E+00 -2.0737E+00 H1 3098 1.008000 0.423800 -1.8610E+01 3.5433E+00 -2.6178E+00 H2 3099 1.008000 0.423800 -1.8146E+01 2.4147E+00 -1.5326E+00 O6 3100 15.999400 -0.847600 1.4760E+01 -1.9881E+00 -1.9508E+01 H1 3101 1.008000 0.423800 1.5479E+01 -2.2111E+00 -1.8850E+01 H2 3102 1.008000 0.423800 1.5125E+01 -2.0571E+00 1.8661E+01 O6 3103 15.999400 -0.847600 2.3920E-02 1.3306E+01 -1.8144E+01 H1 3104 1.008000 0.423800 -2.1829E-01 1.2894E+01 -1.7266E+01 H2 3105 1.008000 0.423800 1.0176E+00 1.3293E+01 -1.8255E+01 O6 3106 15.999400 -0.847600 2.0414E+00 1.9175E+01 -7.3890E+00 H1 3107 1.008000 0.423800 2.3981E+00 1.8384E+01 -7.8864E+00 H2 3108 1.008000 0.423800 2.3444E+00 -1.9082E+01 -7.8382E+00 O6 3109 15.999400 -0.847600 1.0722E+01 -1.1237E+01 2.0700E+00 H1 3110 1.008000 0.423800 1.0564E+01 -1.1087E+01 3.0458E+00 H2 3111 1.008000 0.423800 9.8654E+00 -1.1509E+01 1.6312E+00 O6 3112 15.999400 -0.847600 -5.9456E+00 2.2286E-01 -8.4756E+00 H1 3113 1.008000 0.423800 -5.0283E+00 1.9900E-01 -8.8734E+00 H2 3114 1.008000 0.423800 -5.9608E+00 -3.2615E-01 -7.6400E+00 O6 3115 15.999400 -0.847600 -1.4128E+01 1.6595E+01 1.7181E+01 H1 3116 1.008000 0.423800 -1.4534E+01 1.7025E+01 1.6374E+01 H2 3117 1.008000 0.423800 -1.3159E+01 1.6835E+01 1.7235E+01 O6 3118 15.999400 -0.847600 6.4028E+00 1.6605E+01 2.1863E-01 H1 3119 1.008000 0.423800 6.3322E+00 1.7519E+01 -1.8117E-01 H2 3120 1.008000 0.423800 6.8913E+00 1.6659E+01 1.0895E+00 O6 3121 15.999400 -0.847600 1.3383E+00 2.4549E+00 8.5673E-01 H1 3122 1.008000 0.423800 8.1419E-01 1.9757E+00 1.5608E+00 H2 3123 1.008000 0.423800 8.7011E-01 2.3702E+00 -2.2791E-02 O6 3124 15.999400 -0.847600 -1.8583E+01 9.5422E+00 1.4728E+01 H1 3125 1.008000 0.423800 -1.8199E+01 8.9259E+00 1.4040E+01 H2 3126 1.008000 0.423800 -1.8511E+01 1.0486E+01 1.4406E+01 O6 3127 15.999400 -0.847600 -5.3238E+00 -1.1281E+01 1.7280E+01 H1 3128 1.008000 0.423800 -4.3549E+00 -1.1432E+01 1.7084E+01 H2 3129 1.008000 0.423800 -5.5588E+00 -1.1712E+01 1.8152E+01 O6 3130 15.999400 -0.847600 1.0680E+01 1.6620E+01 2.6184E+00 H1 3131 1.008000 0.423800 1.0666E+01 1.6012E+01 3.4117E+00 H2 3132 1.008000 0.423800 1.0359E+01 1.6124E+01 1.8117E+00 O6 3133 15.999400 -0.847600 5.0543E+00 -5.0080E+00 7.4803E+00 H1 3134 1.008000 0.423800 4.9583E+00 -4.2587E+00 8.1356E+00 H2 3135 1.008000 0.423800 5.9230E+00 -5.4781E+00 7.6365E+00 O6 3136 15.999400 -0.847600 -8.3344E+00 -1.5752E+01 -1.1750E+01 H1 3137 1.008000 0.423800 -8.2662E+00 -1.6147E+01 -1.0833E+01 H2 3138 1.008000 0.423800 -7.4245E+00 -1.5483E+01 -1.2066E+01 O6 3139 15.999400 -0.847600 1.0057E+00 -8.9074E+00 -8.4084E+00 H1 3140 1.008000 0.423800 7.2348E-01 -9.5273E+00 -7.6761E+00 H2 3141 1.008000 0.423800 1.6471E+00 -8.2320E+00 -8.0445E+00 O6 3142 15.999400 -0.847600 9.6268E+00 -2.6418E+00 1.2199E+01 H1 3143 1.008000 0.423800 9.9837E+00 -2.4400E+00 1.3111E+01 H2 3144 1.008000 0.423800 8.6271E+00 -2.6387E+00 1.2224E+01 O6 3145 15.999400 -0.847600 -1.0211E+01 7.8140E-01 6.3261E+00 H1 3146 1.008000 0.423800 -1.0493E+01 1.6921E-01 5.5876E+00 H2 3147 1.008000 0.423800 -1.0892E+01 1.5043E+00 6.4389E+00 O6 3148 15.999400 -0.847600 -1.3375E+01 -3.2130E+00 -1.6675E+01 H1 3149 1.008000 0.423800 -1.3811E+01 -3.9741E+00 -1.6195E+01 H2 3150 1.008000 0.423800 -1.2944E+01 -3.5502E+00 -1.7512E+01 O6 3151 15.999400 -0.847600 -3.2756E+00 -1.6876E+01 -5.7370E+00 H1 3152 1.008000 0.423800 -2.7355E+00 -1.6848E+01 -4.8959E+00 H2 3153 1.008000 0.423800 -2.8783E+00 -1.6251E+01 -6.4092E+00 O6 3154 15.999400 -0.847600 -2.5297E+00 -1.8064E+01 1.2510E+00 H1 3155 1.008000 0.423800 -2.9010E+00 -1.8595E+01 4.8971E-01 H2 3156 1.008000 0.423800 -1.6173E+00 -1.8403E+01 1.4805E+00 O6 3157 15.999400 -0.847600 2.2108E+00 -7.2549E-01 1.5744E+00 H1 3158 1.008000 0.423800 1.7621E+00 -1.5610E+00 1.8915E+00 H2 3159 1.008000 0.423800 2.1164E+00 -6.5273E-01 5.8155E-01 O6 3160 15.999400 -0.847600 -9.7805E-01 1.4154E+01 3.0205E+00 H1 3161 1.008000 0.423800 -1.6401E+00 1.4530E+01 2.3722E+00 H2 3162 1.008000 0.423800 -1.8616E-01 1.4762E+01 3.0785E+00 O6 3163 15.999400 -0.847600 -1.5832E+01 -4.6614E+00 2.2557E-01 H1 3164 1.008000 0.423800 -1.6592E+01 -5.2681E+00 -8.9522E-03 H2 3165 1.008000 0.423800 -1.5757E+01 -3.9398E+00 -4.6266E-01 O6 3166 15.999400 -0.847600 -2.6956E+00 -6.6606E+00 -1.1339E+01 H1 3167 1.008000 0.423800 -3.6433E+00 -6.8656E+00 -1.1584E+01 H2 3168 1.008000 0.423800 -2.3482E+00 -7.3713E+00 -1.0727E+01 O6 3169 15.999400 -0.847600 -7.6967E+00 1.9817E+00 9.2935E-01 H1 3170 1.008000 0.423800 -7.0968E+00 2.7526E+00 7.1496E-01 H2 3171 1.008000 0.423800 -7.4680E+00 1.6231E+00 1.8344E+00 O6 3172 15.999400 -0.847600 8.4262E+00 -3.1237E+00 -4.3477E-01 H1 3173 1.008000 0.423800 9.0726E+00 -2.5960E+00 1.1641E-01 H2 3174 1.008000 0.423800 8.8649E+00 -3.9663E+00 -7.4708E-01 O6 3175 15.999400 -0.847600 1.0638E+01 6.4554E+00 -1.0105E+01 H1 3176 1.008000 0.423800 1.0425E+01 6.7386E+00 -9.1699E+00 H2 3177 1.008000 0.423800 9.9999E+00 6.8914E+00 -1.0739E+01 O6 3178 15.999400 -0.847600 1.9118E+01 8.6025E+00 -1.5196E+01 H1 3179 1.008000 0.423800 1.8967E+01 8.6237E+00 -1.4207E+01 H2 3180 1.008000 0.423800 -1.9240E+01 9.2319E+00 -1.5433E+01 O6 3181 15.999400 -0.847600 -1.6136E+01 -6.6727E+00 -5.0286E+00 H1 3182 1.008000 0.423800 -1.6304E+01 -7.4436E+00 -5.6429E+00 H2 3183 1.008000 0.423800 -1.5151E+01 -6.5076E+00 -4.9634E+00 O6 3184 15.999400 -0.847600 1.3690E+01 8.6800E+00 -1.8257E-01 H1 3185 1.008000 0.423800 1.4114E+01 8.9116E+00 6.9304E-01 H2 3186 1.008000 0.423800 1.2737E+01 8.9812E+00 -1.8123E-01 O6 3187 15.999400 -0.847600 1.5130E+01 1.3902E+01 7.1518E+00 H1 3188 1.008000 0.423800 1.5329E+01 1.4815E+01 6.7957E+00 H2 3189 1.008000 0.423800 1.4650E+01 1.3369E+01 6.4544E+00 O6 3190 15.999400 -0.847600 1.6810E+01 -1.2295E+01 -1.6525E+01 H1 3191 1.008000 0.423800 1.6313E+01 -1.1589E+01 -1.6021E+01 H2 3192 1.008000 0.423800 1.7792E+01 -1.2191E+01 -1.6365E+01 O6 3193 15.999400 -0.847600 1.8485E+01 -1.6800E+01 1.4397E+01 H1 3194 1.008000 0.423800 1.7926E+01 -1.7209E+01 1.5117E+01 H2 3195 1.008000 0.423800 1.8316E+01 -1.5815E+01 1.4361E+01 O6 3196 15.999400 -0.847600 9.9015E+00 -4.2632E-03 1.2088E+01 H1 3197 1.008000 0.423800 9.0192E+00 4.3594E-02 1.1619E+01 H2 3198 1.008000 0.423800 1.0209E+01 -9.5526E-01 1.2124E+01 O6 3199 15.999400 -0.847600 8.3562E+00 -9.7436E+00 1.1418E+01 H1 3200 1.008000 0.423800 9.3234E+00 -9.9103E+00 1.1610E+01 H2 3201 1.008000 0.423800 8.0033E+00 -1.0470E+01 1.0828E+01 O6 3202 15.999400 -0.847600 9.6965E+00 -1.0867E+01 1.7317E+01 H1 3203 1.008000 0.423800 1.0432E+01 -1.0757E+01 1.7985E+01 H2 3204 1.008000 0.423800 9.1254E+00 -1.0046E+01 1.7312E+01 O6 3205 15.999400 -0.847600 -1.5831E+01 2.6091E+00 1.6273E+01 H1 3206 1.008000 0.423800 -1.6798E+01 2.7754E+00 1.6465E+01 H2 3207 1.008000 0.423800 -1.5636E+01 2.8386E+00 1.5319E+01 O6 3208 15.999400 -0.847600 1.2786E+00 1.3238E+01 7.2967E+00 H1 3209 1.008000 0.423800 1.7577E+00 1.3380E+01 6.4305E+00 H2 3210 1.008000 0.423800 1.9069E+00 1.3406E+01 8.0564E+00 O6 3211 15.999400 -0.847600 -1.2794E+01 1.9362E+01 -6.6321E+00 H1 3212 1.008000 0.423800 -1.1907E+01 1.9135E+01 -6.2314E+00 H2 3213 1.008000 0.423800 -1.3257E+01 -1.9061E+01 -6.0567E+00 O6 3214 15.999400 -0.847600 -1.7377E+01 -1.0798E+01 -3.8549E+00 H1 3215 1.008000 0.423800 -1.7372E+01 -1.0076E+01 -3.1629E+00 H2 3216 1.008000 0.423800 -1.6462E+01 -1.0891E+01 -4.2461E+00 O6 3217 15.999400 -0.847600 -1.1119E+01 -4.7956E+00 4.1692E+00 H1 3218 1.008000 0.423800 -1.0916E+01 -4.9682E+00 5.1331E+00 H2 3219 1.008000 0.423800 -1.2008E+01 -4.3446E+00 4.0912E+00 O6 3220 15.999400 -0.847600 5.9658E+00 1.3067E+01 3.5076E+00 H1 3221 1.008000 0.423800 5.8475E+00 1.3141E+01 4.4979E+00 H2 3222 1.008000 0.423800 5.5528E+00 1.3862E+01 3.0629E+00 O6 3223 15.999400 -0.847600 -1.5490E+01 -1.4731E+01 -6.7693E+00 H1 3224 1.008000 0.423800 -1.6440E+01 -1.4580E+01 -7.0417E+00 H2 3225 1.008000 0.423800 -1.5246E+01 -1.5688E+01 -6.9274E+00 O6 3226 15.999400 -0.847600 4.2161E+00 1.2119E+01 1.1710E+01 H1 3227 1.008000 0.423800 4.4628E+00 1.1153E+01 1.1633E+01 H2 3228 1.008000 0.423800 3.4945E+00 1.2332E+01 1.1051E+01 O6 3229 15.999400 -0.847600 7.8618E+00 -2.9790E+00 -9.6747E+00 H1 3230 1.008000 0.423800 8.0589E+00 -2.6562E+00 -1.0600E+01 H2 3231 1.008000 0.423800 8.6589E+00 -2.8245E+00 -9.0911E+00 O6 3232 15.999400 -0.847600 1.6532E+01 8.1637E-01 1.3111E+01 H1 3233 1.008000 0.423800 1.6546E+01 1.5983E+00 1.3734E+01 H2 3234 1.008000 0.423800 1.6231E+01 1.1171E+00 1.2206E+01 O6 3235 15.999400 -0.847600 1.5863E+01 8.0157E+00 -1.4796E+00 H1 3236 1.008000 0.423800 1.4965E+01 8.0693E+00 -1.0441E+00 H2 3237 1.008000 0.423800 1.6199E+01 8.9391E+00 -1.6648E+00 O6 3238 15.999400 -0.847600 -1.4083E+01 -1.8214E+01 -4.7855E+00 H1 3239 1.008000 0.423800 -1.5055E+01 -1.8019E+01 -4.9168E+00 H2 3240 1.008000 0.423800 -1.3821E+01 -1.7985E+01 -3.8478E+00 O6 3241 15.999400 -0.847600 1.8027E+01 1.1540E+01 -1.3357E+01 H1 3242 1.008000 0.423800 1.8443E+01 1.0644E+01 -1.3198E+01 H2 3243 1.008000 0.423800 1.8064E+01 1.2079E+01 -1.2515E+01 O6 3244 15.999400 -0.847600 -1.2978E+01 -1.8908E+01 -1.5992E+01 H1 3245 1.008000 0.423800 -1.2940E+01 -1.8096E+01 -1.5410E+01 H2 3246 1.008000 0.423800 -1.2253E+01 -1.9543E+01 -1.5724E+01 O6 3247 15.999400 -0.847600 -5.8163E-01 -1.5042E+01 1.1084E+01 H1 3248 1.008000 0.423800 -1.5028E-02 -1.4245E+01 1.1290E+01 H2 3249 1.008000 0.423800 -1.8804E-01 -1.5852E+01 1.1518E+01 O6 3250 15.999400 -0.847600 -3.6577E+00 8.4532E+00 2.4799E+00 H1 3251 1.008000 0.423800 -4.6467E+00 8.5135E+00 2.3447E+00 H2 3252 1.008000 0.423800 -3.1928E+00 9.0114E+00 1.7928E+00 O6 3253 15.999400 -0.847600 -1.9224E+01 -1.8918E+01 -1.9875E+00 H1 3254 1.008000 0.423800 -1.8605E+01 -1.9529E+01 -1.4936E+00 H2 3255 1.008000 0.423800 -1.8851E+01 -1.7990E+01 -1.9831E+00 O6 3256 15.999400 -0.847600 -1.9046E+01 -3.1727E-01 1.2583E+01 H1 3257 1.008000 0.423800 1.9185E+01 1.6793E-01 1.2699E+01 H2 3258 1.008000 0.423800 -1.8305E+01 2.2578E-01 1.2978E+01 O6 3259 15.999400 -0.847600 -8.9758E+00 9.9787E+00 1.3711E+01 H1 3260 1.008000 0.423800 -8.7423E+00 1.0250E+01 1.2777E+01 H2 3261 1.008000 0.423800 -8.1601E+00 1.0031E+01 1.4287E+01 O6 3262 15.999400 -0.847600 -4.9650E+00 -1.9008E+01 1.3254E+01 H1 3263 1.008000 0.423800 -5.5585E+00 -1.8284E+01 1.3607E+01 H2 3264 1.008000 0.423800 -5.4508E+00 1.9216E+01 1.3284E+01 O6 3265 15.999400 -0.847600 -5.6422E+00 2.9080E+00 -3.6078E+00 H1 3266 1.008000 0.423800 -6.3321E+00 2.8011E+00 -4.3238E+00 H2 3267 1.008000 0.423800 -5.9733E+00 3.5535E+00 -2.9196E+00 O6 3268 15.999400 -0.847600 1.1935E+01 -1.0924E+01 6.5046E+00 H1 3269 1.008000 0.423800 1.1275E+01 -1.1239E+01 5.8229E+00 H2 3270 1.008000 0.423800 1.1496E+01 -1.0887E+01 7.4020E+00 O6 3271 15.999400 -0.847600 -3.3230E+00 -4.8770E+00 -1.7918E+01 H1 3272 1.008000 0.423800 -3.2055E+00 -3.9433E+00 -1.8256E+01 H2 3273 1.008000 0.423800 -4.2692E+00 -5.1669E+00 -1.8061E+01 O6 3274 15.999400 -0.847600 -4.3800E-01 -8.9570E+00 1.2835E+01 H1 3275 1.008000 0.423800 -1.3700E+00 -9.2935E+00 1.2970E+01 H2 3276 1.008000 0.423800 -4.5489E-01 -8.1641E+00 1.2226E+01 O6 3277 15.999400 -0.847600 1.1806E+01 -1.8250E+01 -1.7803E+01 H1 3278 1.008000 0.423800 1.2756E+01 -1.8327E+01 -1.7499E+01 H2 3279 1.008000 0.423800 1.1299E+01 -1.7669E+01 -1.7167E+01 O6 3280 15.999400 -0.847600 -3.6106E+00 3.2726E+00 -7.0486E+00 H1 3281 1.008000 0.423800 -3.2129E+00 2.8169E+00 -6.2522E+00 H2 3282 1.008000 0.423800 -3.6543E+00 4.2576E+00 -6.8815E+00 O6 3283 15.999400 -0.847600 -1.2338E+01 2.0156E+00 1.0703E+01 H1 3284 1.008000 0.423800 -1.1707E+01 1.6298E+00 1.0030E+01 H2 3285 1.008000 0.423800 -1.1841E+01 2.6374E+00 1.1308E+01 O6 3286 15.999400 -0.847600 1.4304E+01 -5.5045E+00 -1.8644E+01 H1 3287 1.008000 0.423800 1.3690E+01 -4.7833E+00 -1.8323E+01 H2 3288 1.008000 0.423800 1.4827E+01 -5.1722E+00 -1.9429E+01 O6 3289 15.999400 -0.847600 -4.3339E+00 -1.6339E+01 2.8747E+00 H1 3290 1.008000 0.423800 -4.0531E+00 -1.6858E+01 2.0673E+00 H2 3291 1.008000 0.423800 -3.5518E+00 -1.6228E+01 3.4879E+00 O6 3292 15.999400 -0.847600 4.5157E+00 6.2128E+00 1.6884E+01 H1 3293 1.008000 0.423800 3.8911E+00 6.6008E+00 1.6206E+01 H2 3294 1.008000 0.423800 4.8438E+00 6.9385E+00 1.7488E+01 O6 3295 15.999400 -0.847600 -1.1045E+01 9.9881E+00 1.5927E+01 H1 3296 1.008000 0.423800 -1.0286E+01 1.0229E+01 1.5322E+01 H2 3297 1.008000 0.423800 -1.1889E+01 1.0397E+01 1.5583E+01 O6 3298 15.999400 -0.847600 -1.1950E+01 -6.0754E+00 1.5041E+00 H1 3299 1.008000 0.423800 -1.1076E+01 -5.6957E+00 1.2006E+00 H2 3300 1.008000 0.423800 -1.1957E+01 -6.1396E+00 2.5020E+00 O6 3301 15.999400 -0.847600 -1.0333E+01 -4.3503E+00 -1.2329E+01 H1 3302 1.008000 0.423800 -1.0904E+01 -3.7544E+00 -1.1764E+01 H2 3303 1.008000 0.423800 -9.7563E+00 -4.9161E+00 -1.1740E+01 O6 3304 15.999400 -0.847600 -1.5345E+01 -1.2051E+01 5.4429E+00 H1 3305 1.008000 0.423800 -1.4617E+01 -1.2245E+01 4.7859E+00 H2 3306 1.008000 0.423800 -1.6181E+01 -1.1805E+01 4.9513E+00 O6 3307 15.999400 -0.847600 5.0641E+00 5.1792E+00 6.4294E+00 H1 3308 1.008000 0.423800 5.8435E+00 5.2390E+00 7.0532E+00 H2 3309 1.008000 0.423800 4.3040E+00 5.7176E+00 6.7932E+00 O6 3310 15.999400 -0.847600 -8.6719E+00 -7.0091E-01 1.2590E+01 H1 3311 1.008000 0.423800 -8.5978E+00 1.9823E-02 1.3279E+01 H2 3312 1.008000 0.423800 -8.0689E+00 -4.8956E-01 1.1821E+01 O6 3313 15.999400 -0.847600 9.7985E+00 1.0618E+01 1.3362E+01 H1 3314 1.008000 0.423800 1.0342E+01 1.0190E+01 1.2639E+01 H2 3315 1.008000 0.423800 9.2197E+00 1.1331E+01 1.2965E+01 O6 3316 15.999400 -0.847600 -9.6559E+00 -8.5480E+00 1.0936E+01 H1 3317 1.008000 0.423800 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1.7955E+00 1.7431E+01 O6 3334 15.999400 -0.847600 -1.8303E-03 -2.1821E+00 1.3790E+01 H1 3335 1.008000 0.423800 9.7471E-01 -1.9841E+00 1.3705E+01 H2 3336 1.008000 0.423800 -1.4794E-01 -2.8203E+00 1.4545E+01 O6 3337 15.999400 -0.847600 3.4970E+00 -6.2226E+00 -1.8571E+01 H1 3338 1.008000 0.423800 3.7301E+00 -7.1943E+00 -1.8608E+01 H2 3339 1.008000 0.423800 4.3166E+00 -5.6913E+00 -1.8357E+01 O6 3340 15.999400 -0.847600 5.5114E+00 9.7051E-01 -1.5341E+01 H1 3341 1.008000 0.423800 5.6479E+00 9.7062E-02 -1.5808E+01 H2 3342 1.008000 0.423800 5.9242E+00 9.2966E-01 -1.4431E+01 O6 3343 15.999400 -0.847600 1.4370E+01 -1.6810E+01 -7.7565E+00 H1 3344 1.008000 0.423800 1.4134E+01 -1.7718E+01 -7.4108E+00 H2 3345 1.008000 0.423800 1.4280E+01 -1.6139E+01 -7.0203E+00 O6 3346 15.999400 -0.847600 6.2371E+00 -1.1411E+01 -1.8002E+00 H1 3347 1.008000 0.423800 7.1999E+00 -1.1672E+01 -1.8691E+00 H2 3348 1.008000 0.423800 6.1353E+00 -1.0446E+01 -2.0441E+00 O6 3349 15.999400 -0.847600 -1.3583E+01 -1.5176E+01 -9.8638E+00 H1 3350 1.008000 0.423800 -1.3256E+01 -1.4607E+01 -9.1089E+00 H2 3351 1.008000 0.423800 -1.3266E+01 -1.4792E+01 -1.0731E+01 O6 3352 15.999400 -0.847600 1.1338E+01 -1.9272E+01 4.5590E+00 H1 3353 1.008000 0.423800 1.0505E+01 -1.9124E+01 4.0256E+00 H2 3354 1.008000 0.423800 1.2021E+01 1.9368E+01 3.9898E+00 O6 3355 15.999400 -0.847600 9.1621E+00 -9.3515E+00 -1.1524E+01 H1 3356 1.008000 0.423800 9.2547E+00 -8.4659E+00 -1.1069E+01 H2 3357 1.008000 0.423800 9.5633E+00 -1.0065E+01 -1.0950E+01 O6 3358 15.999400 -0.847600 9.7956E+00 8.1362E+00 -1.2449E+01 H1 3359 1.008000 0.423800 1.0302E+01 7.8810E+00 -1.3272E+01 H2 3360 1.008000 0.423800 8.8139E+00 8.0865E+00 -1.2632E+01 O6 3361 15.999400 -0.847600 1.4597E+01 7.9347E+00 -1.7940E+01 H1 3362 1.008000 0.423800 1.5331E+01 8.5054E+00 -1.7571E+01 H2 3363 1.008000 0.423800 1.4977E+01 7.2901E+00 -1.8603E+01 O6 3364 15.999400 -0.847600 1.3091E+01 1.3355E+01 -1.4389E+01 H1 3365 1.008000 0.423800 1.2802E+01 1.2484E+01 -1.3993E+01 H2 3366 1.008000 0.423800 1.3921E+01 1.3216E+01 -1.4930E+01 O6 3367 15.999400 -0.847600 8.0426E+00 -1.2652E+01 1.5698E+00 H1 3368 1.008000 0.423800 7.5541E+00 -1.3520E+01 1.4848E+00 H2 3369 1.008000 0.423800 7.7740E+00 -1.2200E+01 2.4207E+00 O6 3370 15.999400 -0.847600 1.5803E+01 -3.8557E+00 -3.5496E+00 H1 3371 1.008000 0.423800 1.5710E+01 -3.1204E+00 -2.8783E+00 H2 3372 1.008000 0.423800 1.5051E+01 -4.5061E+00 -3.4376E+00 O6 3373 15.999400 -0.847600 8.1875E+00 8.2273E+00 2.7923E-01 H1 3374 1.008000 0.423800 8.5975E+00 7.3832E+00 -6.6232E-02 H2 3375 1.008000 0.423800 7.3479E+00 8.4220E+00 -2.2800E-01 O6 3376 15.999400 -0.847600 -1.1077E+01 7.2950E+00 1.7097E+01 H1 3377 1.008000 0.423800 -1.1203E+01 6.9396E+00 1.8023E+01 H2 3378 1.008000 0.423800 -1.1370E+01 8.2506E+00 1.7064E+01 O6 3379 15.999400 -0.847600 5.4824E+00 1.8626E+00 3.6683E+00 H1 3380 1.008000 0.423800 5.6173E+00 2.8511E+00 3.7365E+00 H2 3381 1.008000 0.423800 4.5150E+00 1.6482E+00 3.8037E+00 O6 3382 15.999400 -0.847600 -7.4687E+00 2.3482E+00 1.0134E+01 H1 3383 1.008000 0.423800 -8.0720E+00 2.7136E+00 9.4247E+00 H2 3384 1.008000 0.423800 -6.5158E+00 2.4826E+00 9.8619E+00 O6 3385 15.999400 -0.847600 -1.8956E+01 -5.1149E-01 8.5678E+00 H1 3386 1.008000 0.423800 -1.8173E+01 8.6992E-02 8.3996E+00 H2 3387 1.008000 0.423800 -1.9037E+01 -6.8691E-01 9.5490E+00 O6 3388 15.999400 -0.847600 1.6773E+01 -7.1818E+00 -1.5866E+01 H1 3389 1.008000 0.423800 1.6164E+01 -7.4837E+00 -1.6600E+01 H2 3390 1.008000 0.423800 1.7330E+01 -7.9525E+00 -1.5556E+01 O6 3391 15.999400 -0.847600 -7.9519E+00 7.7622E+00 3.4470E+00 H1 3392 1.008000 0.423800 -7.7791E+00 8.7472E+00 3.4421E+00 H2 3393 1.008000 0.423800 -7.2914E+00 7.3050E+00 2.8515E+00 O6 3394 15.999400 -0.847600 -1.8089E+01 9.6117E+00 6.9279E+00 H1 3395 1.008000 0.423800 -1.8917E+01 9.5378E+00 6.3717E+00 H2 3396 1.008000 0.423800 -1.7590E+01 1.0441E+01 6.6749E+00 O6 3397 15.999400 -0.847600 -1.3157E+01 -4.5504E+00 1.0493E+01 H1 3398 1.008000 0.423800 -1.4039E+01 -5.0106E+00 1.0398E+01 H2 3399 1.008000 0.423800 -1.3049E+01 -4.2272E+00 1.1433E+01 O6 3400 15.999400 -0.847600 -1.1716E+01 6.3707E+00 -1.1715E+01 H1 3401 1.008000 0.423800 -1.0918E+01 6.4994E+00 -1.2304E+01 H2 3402 1.008000 0.423800 -1.1573E+01 5.5723E+00 -1.1130E+01 O6 3403 15.999400 -0.847600 7.8901E+00 -1.7784E+01 -1.5421E+01 H1 3404 1.008000 0.423800 7.2121E+00 -1.7484E+01 -1.6092E+01 H2 3405 1.008000 0.423800 7.5110E+00 -1.8532E+01 -1.4877E+01 O6 3406 15.999400 -0.847600 -1.7135E+01 1.8033E+01 -1.9395E+01 H1 3407 1.008000 0.423800 -1.6799E+01 1.7158E+01 1.9356E+01 H2 3408 1.008000 0.423800 -1.6410E+01 1.8488E+01 -1.8877E+01 O6 3409 15.999400 -0.847600 1.7605E+01 -1.2098E+01 2.1504E+00 H1 3410 1.008000 0.423800 1.7610E+01 -1.2189E+01 1.1545E+00 H2 3411 1.008000 0.423800 1.8534E+01 -1.1914E+01 2.4728E+00 O6 3412 15.999400 -0.847600 6.6623E+00 -1.5110E+01 7.0156E+00 H1 3413 1.008000 0.423800 7.4674E+00 -1.4528E+01 7.1347E+00 H2 3414 1.008000 0.423800 5.9663E+00 -1.4856E+01 7.6875E+00 O6 3415 15.999400 -0.847600 -4.5340E+00 1.2117E+01 -1.8987E+01 H1 3416 1.008000 0.423800 -5.4522E+00 1.1860E+01 -1.9289E+01 H2 3417 1.008000 0.423800 -4.2579E+00 1.1531E+01 -1.8225E+01 O6 3418 15.999400 -0.847600 -1.9282E+01 1.2552E+01 -1.4138E+00 H1 3419 1.008000 0.423800 -1.8415E+01 1.2065E+01 -1.3117E+00 H2 3420 1.008000 0.423800 -1.9174E+01 1.3495E+01 -1.0986E+00 O6 3421 15.999400 -0.847600 9.0995E+00 -4.1283E+00 1.8594E+01 H1 3422 1.008000 0.423800 9.1269E+00 -3.1339E+00 1.8492E+01 H2 3423 1.008000 0.423800 9.3090E+00 -4.3722E+00 1.9541E+01 O6 3424 15.999400 -0.847600 1.7475E+01 6.0714E+00 1.6004E+01 H1 3425 1.008000 0.423800 1.7684E+01 5.6508E+00 1.6887E+01 H2 3426 1.008000 0.423800 1.6509E+01 6.3289E+00 1.5978E+01 O6 3427 15.999400 -0.847600 1.7954E+01 -7.1581E+00 -8.3355E+00 H1 3428 1.008000 0.423800 1.7472E+01 -7.5724E+00 -9.1078E+00 H2 3429 1.008000 0.423800 1.7820E+01 -6.1673E+00 -8.3521E+00 O6 3430 15.999400 -0.847600 -6.1054E+00 -8.9678E+00 -5.1987E-01 H1 3431 1.008000 0.423800 -5.6285E+00 -9.8398E+00 -6.3059E-01 H2 3432 1.008000 0.423800 -7.0238E+00 -9.1336E+00 -1.6065E-01 O6 3433 15.999400 -0.847600 -1.2020E+01 9.6865E+00 -1.3250E+01 H1 3434 1.008000 0.423800 -1.2489E+01 9.1500E+00 -1.3951E+01 H2 3435 1.008000 0.423800 -1.2634E+01 1.0398E+01 -1.2908E+01 O6 3436 15.999400 -0.847600 1.0507E+01 -1.6892E+01 1.6846E+01 H1 3437 1.008000 0.423800 1.1176E+01 -1.7558E+01 1.6516E+01 H2 3438 1.008000 0.423800 1.0957E+01 -1.6010E+01 1.6986E+01 O6 3439 15.999400 -0.847600 -6.7966E+00 1.4184E+01 1.6484E+01 H1 3440 1.008000 0.423800 -6.0387E+00 1.4781E+01 1.6749E+01 H2 3441 1.008000 0.423800 -7.3427E+00 1.3961E+01 1.7291E+01 O6 3442 15.999400 -0.847600 -1.3446E+01 7.6337E-01 1.6873E+01 H1 3443 1.008000 0.423800 -1.3681E+01 4.1629E-03 1.7480E+01 H2 3444 1.008000 0.423800 -1.4245E+01 1.3531E+00 1.6752E+01 O6 3445 15.999400 -0.847600 -1.3249E+01 -2.3015E+00 -8.1627E+00 H1 3446 1.008000 0.423800 -1.4107E+01 -2.7367E+00 -7.8913E+00 H2 3447 1.008000 0.423800 -1.3020E+01 -1.5802E+00 -7.5092E+00 O6 3448 15.999400 -0.847600 -1.8769E+01 3.0313E+00 9.3636E+00 H1 3449 1.008000 0.423800 -1.8204E+01 2.2114E+00 9.2708E+00 H2 3450 1.008000 0.423800 -1.8764E+01 3.5384E+00 8.5017E+00 O6 3451 15.999400 -0.847600 -1.2737E+01 -1.0302E+01 -9.7271E+00 H1 3452 1.008000 0.423800 -1.2921E+01 -9.3298E+00 -9.5787E+00 H2 3453 1.008000 0.423800 -1.2907E+01 -1.0530E+01 -1.0686E+01 O6 3454 15.999400 -0.847600 7.4703E+00 1.7951E+01 1.2019E+01 H1 3455 1.008000 0.423800 8.1463E+00 1.7367E+01 1.2468E+01 H2 3456 1.008000 0.423800 6.6735E+00 1.8057E+01 1.2613E+01 O6 3457 15.999400 -0.847600 -1.7230E+01 9.0542E+00 -1.1167E+01 H1 3458 1.008000 0.423800 -1.6451E+01 9.6788E+00 -1.1116E+01 H2 3459 1.008000 0.423800 -1.7097E+01 8.3014E+00 -1.0523E+01 O6 3460 15.999400 -0.847600 -9.5162E+00 -8.1756E+00 4.5738E+00 H1 3461 1.008000 0.423800 -8.5714E+00 -7.8480E+00 4.5859E+00 H2 3462 1.008000 0.423800 -1.0111E+01 -7.4946E+00 5.0017E+00 O6 3463 15.999400 -0.847600 1.0293E+01 -2.2145E+00 1.5039E+00 H1 3464 1.008000 0.423800 9.7981E+00 -2.3012E+00 2.3688E+00 H2 3465 1.008000 0.423800 1.1109E+01 -2.7913E+00 1.5276E+00 O6 3466 15.999400 -0.847600 -1.6795E+01 -5.2711E+00 -1.4142E+01 H1 3467 1.008000 0.423800 -1.7372E+01 -4.5131E+00 -1.4446E+01 H2 3468 1.008000 0.423800 -1.7351E+01 -6.0974E+00 -1.4051E+01 O6 3469 15.999400 -0.847600 -7.5737E+00 5.5866E+00 -1.9241E+01 H1 3470 1.008000 0.423800 -8.3375E+00 6.2294E+00 -1.9182E+01 H2 3471 1.008000 0.423800 -6.9106E+00 5.7899E+00 -1.8521E+01 O6 3472 15.999400 -0.847600 -7.3597E+00 4.1322E-01 3.7782E+00 H1 3473 1.008000 0.423800 -8.2893E+00 1.3081E-01 4.0148E+00 H2 3474 1.008000 0.423800 -7.0200E+00 1.0529E+00 4.4677E+00 O6 3475 15.999400 -0.847600 -3.9717E+00 1.2673E+01 1.6047E+01 H1 3476 1.008000 0.423800 -3.3119E+00 1.2093E+01 1.6524E+01 H2 3477 1.008000 0.423800 -4.1492E+00 1.3494E+01 1.6590E+01 O6 3478 15.999400 -0.847600 -1.2752E+01 -7.4838E+00 1.3992E+01 H1 3479 1.008000 0.423800 -1.2578E+01 -7.1509E+00 1.4919E+01 H2 3480 1.008000 0.423800 -1.3679E+01 -7.2301E+00 1.3716E+01 O6 3481 15.999400 -0.847600 -5.3672E+00 1.6611E+01 -1.3844E+01 H1 3482 1.008000 0.423800 -4.5209E+00 1.6596E+01 -1.3311E+01 H2 3483 1.008000 0.423800 -5.8157E+00 1.7497E+01 -1.3733E+01 O6 3484 15.999400 -0.847600 -1.7171E+01 -1.2272E+01 1.5245E+01 H1 3485 1.008000 0.423800 -1.6199E+01 -1.2488E+01 1.5338E+01 H2 3486 1.008000 0.423800 -1.7645E+01 -1.3045E+01 1.4823E+01 O6 3487 15.999400 -0.847600 -1.4001E+01 1.7462E+01 4.5536E+00 H1 3488 1.008000 0.423800 -1.4315E+01 1.7637E+01 5.4865E+00 H2 3489 1.008000 0.423800 -1.3495E+01 1.6599E+01 4.5291E+00 O6 3490 15.999400 -0.847600 -1.8596E+01 1.6889E+01 2.1356E+00 H1 3491 1.008000 0.423800 -1.7614E+01 1.6965E+01 2.3104E+00 H2 3492 1.008000 0.423800 -1.9026E+01 1.6367E+01 2.8715E+00 O6 3493 15.999400 -0.847600 -1.7825E+01 -1.6825E+01 -1.2318E+00 H1 3494 1.008000 0.423800 -1.7513E+01 -1.6107E+01 -1.8550E+00 H2 3495 1.008000 0.423800 -1.8401E+01 -1.6421E+01 -5.2086E-01 O6 3496 15.999400 -0.847600 -8.0838E+00 1.3029E+01 1.8681E+01 H1 3497 1.008000 0.423800 -8.1460E+00 1.3683E+01 1.9435E+01 H2 3498 1.008000 0.423800 -7.4138E+00 1.2322E+01 1.8908E+01 O6 3499 15.999400 -0.847600 -1.4106E+01 1.1460E+01 -1.3504E+01 H1 3500 1.008000 0.423800 -1.3982E+01 1.2262E+01 -1.2920E+01 H2 3501 1.008000 0.423800 -1.5078E+01 1.1233E+01 -1.3556E+01 O6 3502 15.999400 -0.847600 -5.8578E+00 -9.9899E+00 -1.3219E+01 H1 3503 1.008000 0.423800 -6.1900E+00 -1.0902E+01 -1.3458E+01 H2 3504 1.008000 0.423800 -6.6033E+00 -9.3295E+00 -1.3310E+01 O6 3505 15.999400 -0.847600 7.8880E+00 -8.4569E+00 1.7988E+01 H1 3506 1.008000 0.423800 7.4748E+00 -7.9115E+00 1.8717E+01 H2 3507 1.008000 0.423800 7.7004E+00 -8.0284E+00 1.7104E+01 O6 3508 15.999400 -0.847600 1.8049E+01 1.6314E+01 9.1261E+00 H1 3509 1.008000 0.423800 1.8817E+01 1.6513E+01 9.7346E+00 H2 3510 1.008000 0.423800 1.8190E+01 1.5424E+01 8.6918E+00 O6 3511 15.999400 -0.847600 -1.8549E+00 -5.6938E-01 3.3065E+00 H1 3512 1.008000 0.423800 -2.2163E+00 -1.2837E+00 2.7071E+00 H2 3513 1.008000 0.423800 -1.4604E+00 -9.8855E-01 4.1242E+00 O6 3514 15.999400 -0.847600 1.0384E+01 3.2617E-01 7.0145E+00 H1 3515 1.008000 0.423800 1.0756E+01 3.4467E-01 6.0866E+00 H2 3516 1.008000 0.423800 1.0156E+01 -6.1516E-01 7.2635E+00 O6 3517 15.999400 -0.847600 7.5304E+00 4.5423E+00 -4.1440E+00 H1 3518 1.008000 0.423800 7.1992E+00 4.8354E+00 -3.2471E+00 H2 3519 1.008000 0.423800 8.5191E+00 4.6829E+00 -4.1964E+00 O6 3520 15.999400 -0.847600 1.5948E+01 1.5459E+00 1.0782E+01 H1 3521 1.008000 0.423800 1.6188E+01 1.0458E+00 9.9502E+00 H2 3522 1.008000 0.423800 1.6457E+01 2.4058E+00 1.0813E+01 O6 3523 15.999400 -0.847600 -1.3274E+01 1.0291E+01 1.3809E+01 H1 3524 1.008000 0.423800 -1.2605E+01 1.0837E+01 1.3305E+01 H2 3525 1.008000 0.423800 -1.4189E+01 1.0466E+01 1.3446E+01 O6 3526 15.999400 -0.847600 -1.7794E+01 1.0256E+01 -1.5842E+01 H1 3527 1.008000 0.423800 -1.8376E+01 1.0742E+01 -1.6494E+01 H2 3528 1.008000 0.423800 -1.7404E+01 9.4472E+00 -1.6283E+01 O6 3529 15.999400 -0.847600 6.9295E+00 6.0313E+00 -1.5154E+01 H1 3530 1.008000 0.423800 7.8260E+00 5.7220E+00 -1.5471E+01 H2 3531 1.008000 0.423800 6.2946E+00 5.2587E+00 -1.5145E+01 O6 3532 15.999400 -0.847600 6.3372E-01 -9.2194E+00 3.0745E+00 H1 3533 1.008000 0.423800 -1.5315E-01 -8.8945E+00 2.5499E+00 H2 3534 1.008000 0.423800 9.2386E-01 -8.5083E+00 3.7150E+00 O6 3535 15.999400 -0.847600 -3.1765E+00 1.5465E+01 2.1800E+00 H1 3536 1.008000 0.423800 -2.8324E+00 1.6040E+01 1.4378E+00 H2 3537 1.008000 0.423800 -4.1028E+00 1.5753E+01 2.4228E+00 O6 3538 15.999400 -0.847600 -1.0154E+01 -1.1202E+01 -1.0521E+00 H1 3539 1.008000 0.423800 -1.0656E+01 -1.2034E+01 -1.2910E+00 H2 3540 1.008000 0.423800 -9.3695E+00 -1.1439E+01 -4.7922E-01 O6 3541 15.999400 -0.847600 1.3309E+01 6.0725E+00 5.1343E+00 H1 3542 1.008000 0.423800 1.3974E+01 6.7478E+00 5.4534E+00 H2 3543 1.008000 0.423800 1.3085E+01 6.2523E+00 4.1765E+00 O6 3544 15.999400 -0.847600 -4.7250E+00 1.0983E+01 -1.0485E+01 H1 3545 1.008000 0.423800 -5.0271E+00 1.0527E+01 -1.1323E+01 H2 3546 1.008000 0.423800 -5.2256E+00 1.1842E+01 -1.0374E+01 O6 3547 15.999400 -0.847600 1.0567E+01 1.7799E+01 6.2610E+00 H1 3548 1.008000 0.423800 1.1247E+01 1.7186E+01 6.6625E+00 H2 3549 1.008000 0.423800 1.1030E+01 1.8493E+01 5.7088E+00 O6 3550 15.999400 -0.847600 1.0537E+00 -6.7273E+00 4.4860E+00 H1 3551 1.008000 0.423800 1.6768E+00 -6.2119E+00 3.8977E+00 H2 3552 1.008000 0.423800 1.5702E+00 -7.1453E+00 5.2334E+00 O6 3553 15.999400 -0.847600 -4.3995E+00 -5.1907E+00 1.4438E+01 H1 3554 1.008000 0.423800 -4.6026E+00 -5.6750E+00 1.3587E+01 H2 3555 1.008000 0.423800 -5.2546E+00 -4.9097E+00 1.4873E+01 O6 3556 15.999400 -0.847600 -2.8348E+00 1.7353E+01 1.2143E+01 H1 3557 1.008000 0.423800 -2.4590E+00 1.8258E+01 1.2341E+01 H2 3558 1.008000 0.423800 -2.2719E+00 1.6903E+01 1.1450E+01 O6 3559 15.999400 -0.847600 9.4524E+00 -4.3712E+00 1.6010E+01 H1 3560 1.008000 0.423800 9.4399E+00 -4.4710E+00 1.7005E+01 H2 3561 1.008000 0.423800 9.6870E+00 -3.4286E+00 1.5772E+01 O6 3562 15.999400 -0.847600 -4.7496E+00 -3.1929E+00 6.0282E+00 H1 3563 1.008000 0.423800 -4.1466E+00 -3.9470E+00 5.7678E+00 H2 3564 1.008000 0.423800 -5.5789E+00 -3.2214E+00 5.4701E+00 O6 3565 15.999400 -0.847600 -4.2621E+00 1.5557E+01 9.5926E+00 H1 3566 1.008000 0.423800 -5.1303E+00 1.6006E+01 9.8045E+00 H2 3567 1.008000 0.423800 -3.5318E+00 1.5971E+01 1.0136E+01 O6 3568 15.999400 -0.847600 1.1570E+01 3.8658E+00 -1.6468E+01 H1 3569 1.008000 0.423800 1.1300E+01 3.2720E+00 -1.7226E+01 H2 3570 1.008000 0.423800 1.2279E+01 3.4146E+00 -1.5927E+01 O6 3571 15.999400 -0.847600 -1.8031E+01 -3.7385E+00 -5.6968E+00 H1 3572 1.008000 0.423800 -1.8148E+01 -4.7265E+00 -5.7967E+00 H2 3573 1.008000 0.423800 -1.8404E+01 -3.4457E+00 -4.8166E+00 O6 3574 15.999400 -0.847600 -9.4543E+00 -4.7109E+00 -1.7306E+01 H1 3575 1.008000 0.423800 -1.0020E+01 -5.2960E+00 -1.6725E+01 H2 3576 1.008000 0.423800 -8.7653E+00 -4.2510E+00 -1.6746E+01 O6 3577 15.999400 -0.847600 -8.0542E+00 -1.5169E+01 1.3190E+01 H1 3578 1.008000 0.423800 -8.4695E+00 -1.4350E+01 1.2794E+01 H2 3579 1.008000 0.423800 -7.8393E+00 -1.5001E+01 1.4152E+01 O6 3580 15.999400 -0.847600 -1.0997E+01 -2.0440E+00 7.4807E-03 H1 3581 1.008000 0.423800 -1.0508E+01 -2.8579E+00 3.2229E-01 H2 3582 1.008000 0.423800 -1.1763E+01 -1.8564E+00 6.2235E-01 O6 3583 15.999400 -0.847600 -1.2767E+01 1.6804E+00 -1.5606E+01 H1 3584 1.008000 0.423800 -1.2724E+01 7.7052E-01 -1.5193E+01 H2 3585 1.008000 0.423800 -1.2343E+01 2.3456E+00 -1.4991E+01 O6 3586 15.999400 -0.847600 -3.0884E+00 2.3192E+00 -4.4129E+00 H1 3587 1.008000 0.423800 -2.8464E+00 1.7618E+00 -3.6187E+00 H2 3588 1.008000 0.423800 -3.9828E+00 2.7409E+00 -4.2641E+00 O6 3589 15.999400 -0.847600 7.2612E+00 4.9898E+00 8.0392E+00 H1 3590 1.008000 0.423800 7.9724E+00 5.0580E+00 7.3395E+00 H2 3591 1.008000 0.423800 7.3269E+00 4.1026E+00 8.4958E+00 O6 3592 15.999400 -0.847600 1.4854E+01 -5.7575E+00 -1.4138E+01 H1 3593 1.008000 0.423800 1.5146E+01 -4.8031E+00 -1.4203E+01 H2 3594 1.008000 0.423800 1.5504E+01 -6.3384E+00 -1.4629E+01 O6 3595 15.999400 -0.847600 -7.4393E+00 -6.6740E+00 1.4087E+00 H1 3596 1.008000 0.423800 -7.7858E+00 -6.9652E+00 2.3004E+00 H2 3597 1.008000 0.423800 -7.2220E+00 -5.6984E+00 1.4379E+00 O6 3598 15.999400 -0.847600 -1.2246E+01 -1.6683E+01 -1.4278E+01 H1 3599 1.008000 0.423800 -1.1552E+01 -1.6920E+01 -1.3599E+01 H2 3600 1.008000 0.423800 -1.1842E+01 -1.6090E+01 -1.4975E+01 O6 3601 15.999400 -0.847600 1.7748E+01 1.3606E+01 -4.9985E+00 H1 3602 1.008000 0.423800 1.7637E+01 1.3262E+01 -4.0662E+00 H2 3603 1.008000 0.423800 1.8062E+01 1.2865E+01 -5.5920E+00 O6 3604 15.999400 -0.847600 -1.4384E+01 1.0246E+01 -1.7490E+01 H1 3605 1.008000 0.423800 -1.3731E+01 1.0185E+01 -1.8245E+01 H2 3606 1.008000 0.423800 -1.5195E+01 1.0748E+01 -1.7790E+01 O6 3607 15.999400 -0.847600 9.6131E+00 2.0301E+00 -4.2850E+00 H1 3608 1.008000 0.423800 9.7879E+00 3.0102E+00 -4.1904E+00 H2 3609 1.008000 0.423800 8.6416E+00 1.8486E+00 -4.1322E+00 O6 3610 15.999400 -0.847600 -1.9500E+01 8.9195E+00 -3.3966E+00 H1 3611 1.008000 0.423800 -1.9378E+01 9.8671E+00 -3.6920E+00 H2 3612 1.008000 0.423800 -1.8677E+01 8.6110E+00 -2.9190E+00 O6 3613 15.999400 -0.847600 -1.5459E+01 9.7620E+00 2.1285E+00 H1 3614 1.008000 0.423800 -1.4945E+01 8.9779E+00 1.7808E+00 H2 3615 1.008000 0.423800 -1.5385E+01 9.7933E+00 3.1253E+00 O6 3616 15.999400 -0.847600 -1.2529E+01 1.6957E+01 -3.7424E+00 H1 3617 1.008000 0.423800 -1.2664E+01 1.7474E+01 -4.5877E+00 H2 3618 1.008000 0.423800 -1.3355E+01 1.7016E+01 -3.1810E+00 O6 3619 15.999400 -0.847600 -2.5447E+00 -1.9233E+01 -6.7205E+00 H1 3620 1.008000 0.423800 -3.3403E+00 1.9369E+01 -7.0687E+00 H2 3621 1.008000 0.423800 -2.8155E+00 -1.8305E+01 -6.4663E+00 O6 3622 15.999400 -0.847600 -1.8491E+01 -1.5579E+01 1.7051E+01 H1 3623 1.008000 0.423800 -1.9433E+01 -1.5596E+01 1.6716E+01 H2 3624 1.008000 0.423800 -1.8440E+01 -1.5016E+01 1.7876E+01 O6 3625 15.999400 -0.847600 5.3474E+00 -1.4477E+01 -1.7723E+01 H1 3626 1.008000 0.423800 5.8923E+00 -1.3651E+01 -1.7870E+01 H2 3627 1.008000 0.423800 4.4744E+00 -1.4230E+01 -1.7303E+01 O6 3628 15.999400 -0.847600 -4.4029E+00 -1.3742E+01 1.3551E-01 H1 3629 1.008000 0.423800 -3.8286E+00 -1.2960E+01 -1.0608E-01 H2 3630 1.008000 0.423800 -4.7717E+00 -1.3613E+01 1.0560E+00 O6 3631 15.999400 -0.847600 1.6161E+01 -7.3088E+00 9.8391E+00 H1 3632 1.008000 0.423800 1.6375E+01 -8.2818E+00 9.7520E+00 H2 3633 1.008000 0.423800 1.5223E+01 -7.1452E+00 9.5336E+00 O6 3634 15.999400 -0.847600 1.2702E+01 9.1157E+00 7.5434E+00 H1 3635 1.008000 0.423800 1.2032E+01 9.7307E+00 7.9605E+00 H2 3636 1.008000 0.423800 1.3266E+01 8.7027E+00 8.2584E+00 O6 3637 15.999400 -0.847600 9.9073E+00 -1.2018E+01 1.4859E+01 H1 3638 1.008000 0.423800 9.9633E+00 -1.1619E+01 1.5774E+01 H2 3639 1.008000 0.423800 8.9481E+00 -1.2095E+01 1.4587E+01 O6 3640 15.999400 -0.847600 2.5701E+00 1.1854E+00 1.2365E+01 H1 3641 1.008000 0.423800 1.8119E+00 7.9767E-01 1.1840E+01 H2 3642 1.008000 0.423800 2.2417E+00 1.9640E+00 1.2899E+01 O6 3643 15.999400 -0.847600 1.1230E+01 1.1467E+01 -5.0127E+00 H1 3644 1.008000 0.423800 1.0839E+01 1.0734E+01 -5.5691E+00 H2 3645 1.008000 0.423800 1.2153E+01 1.1675E+01 -5.3363E+00 O6 3646 15.999400 -0.847600 9.9284E+00 -8.8466E+00 -1.9299E+01 H1 3647 1.008000 0.423800 9.0823E+00 -8.8946E+00 1.9268E+01 H2 3648 1.008000 0.423800 9.7867E+00 -8.2651E+00 -1.8498E+01 O6 3649 15.999400 -0.847600 -1.6306E+01 1.6417E+01 -5.3831E-01 H1 3650 1.008000 0.423800 -1.6011E+01 1.6143E+01 3.7714E-01 H2 3651 1.008000 0.423800 -1.5830E+01 1.5863E+01 -1.2214E+00 O6 3652 15.999400 -0.847600 -7.5471E+00 1.7082E+01 1.6421E+01 H1 3653 1.008000 0.423800 -6.8208E+00 1.6909E+01 1.7086E+01 H2 3654 1.008000 0.423800 -7.1586E+00 1.7097E+01 1.5500E+01 O6 3655 15.999400 -0.847600 -9.4037E+00 -1.2084E+01 1.9098E+01 H1 3656 1.008000 0.423800 -9.2774E+00 -1.1120E+01 1.9336E+01 H2 3657 1.008000 0.423800 -1.0376E+01 -1.2313E+01 1.9142E+01 O6 3658 15.999400 -0.847600 1.2626E+01 1.7964E+01 1.4228E+01 H1 3659 1.008000 0.423800 1.3248E+01 1.7432E+01 1.3653E+01 H2 3660 1.008000 0.423800 1.1717E+01 1.7546E+01 1.4212E+01 O6 3661 15.999400 -0.847600 1.0571E+01 -1.4796E+01 1.4505E+01 H1 3662 1.008000 0.423800 9.7486E+00 -1.5365E+01 1.4482E+01 H2 3663 1.008000 0.423800 1.0309E+01 -1.3831E+01 1.4511E+01 O6 3664 15.999400 -0.847600 2.6350E+00 7.0992E+00 -1.5371E+01 H1 3665 1.008000 0.423800 2.1869E+00 7.8149E+00 -1.5907E+01 H2 3666 1.008000 0.423800 1.9498E+00 6.4465E+00 -1.5048E+01 O6 3667 15.999400 -0.847600 -1.3350E+01 -7.6593E+00 -1.8586E+01 H1 3668 1.008000 0.423800 -1.3049E+01 -8.5936E+00 -1.8396E+01 H2 3669 1.008000 0.423800 -1.4280E+01 -7.5319E+00 -1.8241E+01 O6 3670 15.999400 -0.847600 1.1685E+01 9.9648E+00 1.1118E+01 H1 3671 1.008000 0.423800 1.2252E+01 9.1919E+00 1.1403E+01 H2 3672 1.008000 0.423800 1.2193E+01 1.0530E+01 1.0468E+01 O6 3673 15.999400 -0.847600 1.0145E+01 -1.8819E+01 -1.3741E+01 H1 3674 1.008000 0.423800 9.3542E+00 -1.8657E+01 -1.4331E+01 H2 3675 1.008000 0.423800 9.9891E+00 -1.8391E+01 -1.2850E+01 O6 3676 15.999400 -0.847600 1.8252E+01 2.5343E+00 4.7257E+00 H1 3677 1.008000 0.423800 1.7807E+01 1.6630E+00 4.5183E+00 H2 3678 1.008000 0.423800 1.7937E+01 3.2309E+00 4.0809E+00 O6 3679 15.999400 -0.847600 -1.4924E+01 1.8551E+01 -1.4805E+01 H1 3680 1.008000 0.423800 -1.4281E+01 1.9317E+01 -1.4800E+01 H2 3681 1.008000 0.423800 -1.5852E+01 1.8895E+01 -1.4950E+01 O6 3682 15.999400 -0.847600 -1.8753E+01 -8.3010E+00 8.5725E+00 H1 3683 1.008000 0.423800 -1.7921E+01 -8.3482E+00 9.1252E+00 H2 3684 1.008000 0.423800 -1.8510E+01 -8.3040E+00 7.6027E+00 O6 3685 15.999400 -0.847600 -1.0851E+01 1.4419E+00 -1.6079E+00 H1 3686 1.008000 0.423800 -1.0288E+01 9.4137E-01 -9.4973E-01 H2 3687 1.008000 0.423800 -1.1472E+01 8.0653E-01 -2.0662E+00 O6 3688 15.999400 -0.847600 -3.2486E+00 9.8662E+00 1.2662E-01 H1 3689 1.008000 0.423800 -4.0891E+00 1.0269E+01 -2.3619E-01 H2 3690 1.008000 0.423800 -2.4897E+00 1.0504E+01 -5.4504E-03 O6 3691 15.999400 -0.847600 -1.3072E+01 -1.7079E+00 1.6342E+00 H1 3692 1.008000 0.423800 -1.3786E+01 -1.7265E+00 9.3443E-01 H2 3693 1.008000 0.423800 -1.3236E+01 -2.4380E+00 2.2974E+00 O6 3694 15.999400 -0.847600 2.0094E+00 -1.8988E+01 -1.9023E+01 H1 3695 1.008000 0.423800 2.6945E+00 1.9394E+01 -1.8887E+01 H2 3696 1.008000 0.423800 2.4485E+00 -1.8174E+01 -1.9404E+01 O6 3697 15.999400 -0.847600 4.3922E+00 7.0248E-01 6.2472E+00 H1 3698 1.008000 0.423800 5.3745E+00 6.4801E-01 6.4268E+00 H2 3699 1.008000 0.423800 4.0734E+00 -1.6763E-01 5.8714E+00 O6 3700 15.999400 -0.847600 -1.5086E+01 4.2646E+00 -6.0770E+00 H1 3701 1.008000 0.423800 -1.5698E+01 3.5832E+00 -5.6754E+00 H2 3702 1.008000 0.423800 -1.5574E+01 4.7741E+00 -6.7858E+00 O6 3703 15.999400 -0.847600 -6.8909E+00 -1.2577E+01 -1.9413E+01 H1 3704 1.008000 0.423800 -6.6894E+00 -1.2392E+01 -1.8451E+01 H2 3705 1.008000 0.423800 -7.7437E+00 -1.2121E+01 1.9429E+01 O6 3706 15.999400 -0.847600 -1.5646E+01 -1.3876E+01 -1.3727E+01 H1 3707 1.008000 0.423800 -1.5891E+01 -1.3721E+01 -1.2771E+01 H2 3708 1.008000 0.423800 -1.6469E+01 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3725 1.008000 0.423800 -1.3327E+00 -3.5321E+00 -2.6327E+00 H2 3726 1.008000 0.423800 -4.5445E-01 -3.2740E+00 -1.2805E+00 O6 3727 15.999400 -0.847600 -4.4214E+00 -1.9366E+01 -1.8923E+01 H1 3728 1.008000 0.423800 -4.7240E+00 1.8910E+01 -1.8438E+01 H2 3729 1.008000 0.423800 -5.2150E+00 -1.8895E+01 -1.9307E+01 O6 3730 15.999400 -0.847600 3.2639E+00 4.6134E+00 1.9138E+01 H1 3731 1.008000 0.423800 3.8208E+00 4.5268E+00 -1.9133E+01 H2 3732 1.008000 0.423800 3.6718E+00 5.2956E+00 1.8531E+01 O6 3733 15.999400 -0.847600 -9.5828E+00 1.8148E+01 4.6217E+00 H1 3734 1.008000 0.423800 -1.0160E+01 1.7679E+01 3.9535E+00 H2 3735 1.008000 0.423800 -9.1395E+00 1.7473E+01 5.2112E+00 O6 3736 15.999400 -0.847600 1.0852E+01 4.3824E+00 8.7524E+00 H1 3737 1.008000 0.423800 1.0907E+01 4.9058E+00 9.6028E+00 H2 3738 1.008000 0.423800 1.1774E+01 4.1509E+00 8.4437E+00 O6 3739 15.999400 -0.847600 7.8983E+00 -7.7785E+00 9.5991E-01 H1 3740 1.008000 0.423800 8.3742E+00 -8.3004E+00 2.5194E-01 H2 3741 1.008000 0.423800 6.9140E+00 -7.7998E+00 7.8472E-01 O6 3742 15.999400 -0.847600 2.8667E-01 -1.8212E+01 2.1176E+00 H1 3743 1.008000 0.423800 7.6912E-01 -1.8950E+01 2.5901E+00 H2 3744 1.008000 0.423800 9.5036E-01 -1.7614E+01 1.6693E+00 O6 3745 15.999400 -0.847600 -1.3982E+01 -1.2511E+01 9.8697E+00 H1 3746 1.008000 0.423800 -1.4516E+01 -1.3092E+01 9.2543E+00 H2 3747 1.008000 0.423800 -1.3391E+01 -1.1910E+01 9.3320E+00 O6 3748 15.999400 -0.847600 2.1767E+00 -1.6556E+01 -1.0906E+01 H1 3749 1.008000 0.423800 1.1822E+00 -1.6460E+01 -1.0948E+01 H2 3750 1.008000 0.423800 2.5931E+00 -1.5656E+01 -1.0775E+01 O6 3751 15.999400 -0.847600 -4.5206E+00 1.8223E+01 6.7164E+00 H1 3752 1.008000 0.423800 -4.5419E+00 1.7229E+01 6.8194E+00 H2 3753 1.008000 0.423800 -4.0139E+00 1.8461E+01 5.8879E+00 O6 3754 15.999400 -0.847600 1.3181E+01 6.8614E+00 -1.4471E+01 H1 3755 1.008000 0.423800 1.3497E+01 6.4714E+00 -1.3606E+01 H2 3756 1.008000 0.423800 1.2183E+01 6.8226E+00 -1.4509E+01 O6 3757 15.999400 -0.847600 -1.4770E+01 -9.7834E+00 1.1576E+01 H1 3758 1.008000 0.423800 -1.4201E+01 -1.0049E+01 1.2355E+01 H2 3759 1.008000 0.423800 -1.5646E+01 -1.0262E+01 1.1625E+01 O6 3760 15.999400 -0.847600 -1.7490E+01 1.5527E+01 -3.4054E+00 H1 3761 1.008000 0.423800 -1.8351E+01 1.5612E+01 -2.9041E+00 H2 3762 1.008000 0.423800 -1.6818E+01 1.5054E+01 -2.8359E+00 O6 3763 15.999400 -0.847600 -4.4737E+00 -1.7511E+01 -1.2563E+01 H1 3764 1.008000 0.423800 -4.8948E+00 -1.6606E+01 -1.2494E+01 H2 3765 1.008000 0.423800 -3.7481E+00 -1.7489E+01 -1.3251E+01 O6 3766 15.999400 -0.847600 7.7418E+00 5.7666E-01 2.8289E-02 H1 3767 1.008000 0.423800 7.4507E+00 3.1814E-02 -7.5811E-01 H2 3768 1.008000 0.423800 7.3256E+00 2.0984E-01 8.6028E-01 O6 3769 15.999400 -0.847600 2.2900E-01 1.1283E+01 2.1724E+00 H1 3770 1.008000 0.423800 -1.5208E-01 1.2006E+01 2.7480E+00 H2 3771 1.008000 0.423800 4.1232E-01 1.0474E+01 2.7313E+00 O6 3772 15.999400 -0.847600 -9.6404E+00 1.1605E+00 1.9496E+01 H1 3773 1.008000 0.423800 -1.0627E+01 1.2993E+00 -1.9511E+01 H2 3774 1.008000 0.423800 -9.2655E+00 1.8374E+00 1.8862E+01 O6 3775 15.999400 -0.847600 -7.7209E+00 1.9969E+00 -6.1661E+00 H1 3776 1.008000 0.423800 -7.4826E+00 1.0405E+00 -5.9972E+00 H2 3777 1.008000 0.423800 -7.3388E+00 2.2856E+00 -7.0439E+00 O6 3778 15.999400 -0.847600 7.7169E+00 -9.4134E+00 1.4751E+01 H1 3779 1.008000 0.423800 8.3638E+00 -8.7457E+00 1.4382E+01 H2 3780 1.008000 0.423800 6.9521E+00 -8.9340E+00 1.5181E+01 O6 3781 15.999400 -0.847600 -3.9279E+00 -1.0696E+01 1.8250E+00 H1 3782 1.008000 0.423800 -3.9493E+00 -1.0672E+01 8.2548E-01 H2 3783 1.008000 0.423800 -3.3285E+00 -1.1437E+01 2.1279E+00 O6 3784 15.999400 -0.847600 -8.9519E+00 -4.6231E+00 -6.9019E+00 H1 3785 1.008000 0.423800 -9.2276E+00 -3.6696E+00 -6.7800E+00 H2 3786 1.008000 0.423800 -8.8308E+00 -5.0521E+00 -6.0068E+00 O6 3787 15.999400 -0.847600 1.8885E+01 1.8954E+01 -4.4207E+00 H1 3788 1.008000 0.423800 1.8926E+01 1.9347E+01 -3.5021E+00 H2 3789 1.008000 0.423800 1.8667E+01 1.7980E+01 -4.3569E+00 O6 3790 15.999400 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8.4161E-01 -1.4975E+00 H2 3807 1.008000 0.423800 1.8794E+00 -6.9863E-01 -1.8768E+00 O6 3808 15.999400 -0.847600 -1.5318E+01 -9.8951E+00 -1.3587E+01 H1 3809 1.008000 0.423800 -1.5216E+01 -9.2217E+00 -1.2854E+01 H2 3810 1.008000 0.423800 -1.4490E+01 -1.0451E+01 -1.3647E+01 O6 3811 15.999400 -0.847600 4.4178E+00 1.6120E+01 -1.1989E+01 H1 3812 1.008000 0.423800 4.2565E+00 1.5258E+01 -1.2470E+01 H2 3813 1.008000 0.423800 4.2782E+00 1.6884E+01 -1.2618E+01 O6 3814 15.999400 -0.847600 -1.4787E+01 -1.3764E+01 7.4976E+00 H1 3815 1.008000 0.423800 -1.3985E+01 -1.4001E+01 6.9489E+00 H2 3816 1.008000 0.423800 -1.5348E+01 -1.3104E+01 6.9987E+00 O6 3817 15.999400 -0.847600 -9.0329E+00 -1.8911E+01 1.0305E+01 H1 3818 1.008000 0.423800 -8.6024E+00 -1.8821E+01 9.4073E+00 H2 3819 1.008000 0.423800 -1.0015E+01 -1.9059E+01 1.0191E+01 O6 3820 15.999400 -0.847600 1.9254E+01 -5.1634E+00 9.9711E+00 H1 3821 1.008000 0.423800 1.8936E+01 -5.3943E+00 9.0517E+00 H2 3822 1.008000 0.423800 -1.8843E+01 -5.1569E+00 9.9857E+00 O6 3823 15.999400 -0.847600 1.2410E+01 -5.2351E-01 1.8830E+01 H1 3824 1.008000 0.423800 1.2542E+01 2.7641E-02 -1.9444E+01 H2 3825 1.008000 0.423800 1.2921E+01 -1.3787E+00 1.8915E+01 O6 3826 15.999400 -0.847600 1.7710E+00 -1.9469E+01 6.4316E+00 H1 3827 1.008000 0.423800 1.7639E+00 1.8629E+01 6.4480E+00 H2 3828 1.008000 0.423800 2.6828E+00 -1.9138E+01 6.6748E+00 O6 3829 15.999400 -0.847600 -4.8556E+00 3.0690E+00 1.0166E+01 H1 3830 1.008000 0.423800 -4.0317E+00 3.6197E+00 1.0300E+01 H2 3831 1.008000 0.423800 -4.6180E+00 2.0985E+00 1.0206E+01 O6 3832 15.999400 -0.847600 -1.5219E+01 1.3941E+00 1.0469E+01 H1 3833 1.008000 0.423800 -1.4307E+01 1.7924E+00 1.0567E+01 H2 3834 1.008000 0.423800 -1.5475E+01 9.3615E-01 1.1320E+01 O6 3835 15.999400 -0.847600 3.7630E+00 6.8021E+00 -8.2723E+00 H1 3836 1.008000 0.423800 3.9214E+00 5.9639E+00 -7.7505E+00 H2 3837 1.008000 0.423800 4.4356E+00 6.8679E+00 -9.0094E+00 O6 3838 15.999400 -0.847600 -1.0522E+01 1.0662E+01 -1.6216E+01 H1 3839 1.008000 0.423800 -1.0187E+01 1.0150E+01 -1.5425E+01 H2 3840 1.008000 0.423800 -1.1377E+01 1.1122E+01 -1.5978E+01 O6 3841 15.999400 -0.847600 -7.7756E+00 2.6106E+00 1.3306E+01 H1 3842 1.008000 0.423800 -7.9584E+00 3.1896E+00 1.4101E+01 H2 3843 1.008000 0.423800 -7.5762E+00 3.1862E+00 1.2513E+01 O6 3844 15.999400 -0.847600 9.7756E+00 1.5997E+01 -1.4984E+01 H1 3845 1.008000 0.423800 9.9048E+00 1.6591E+01 -1.5777E+01 H2 3846 1.008000 0.423800 1.0602E+01 1.6008E+01 -1.4421E+01 O6 3847 15.999400 -0.847600 1.4077E+01 -1.7038E+01 2.5965E+00 H1 3848 1.008000 0.423800 1.4713E+01 -1.7034E+01 1.8248E+00 H2 3849 1.008000 0.423800 1.4561E+01 -1.6765E+01 3.4281E+00 O6 3850 15.999400 -0.847600 9.1808E+00 1.7565E+01 -8.0826E+00 H1 3851 1.008000 0.423800 9.1597E+00 1.6565E+01 -8.0438E+00 H2 3852 1.008000 0.423800 8.7893E+00 1.7873E+01 -8.9496E+00 O6 3853 15.999400 -0.847600 -1.1174E+01 -1.1746E+01 1.5417E+01 H1 3854 1.008000 0.423800 -1.1508E+01 -1.2470E+01 1.4813E+01 H2 3855 1.008000 0.423800 -1.0220E+01 -1.1541E+01 1.5195E+01 O6 3856 15.999400 -0.847600 -9.7917E+00 -4.1426E+00 1.4812E+00 H1 3857 1.008000 0.423800 -1.0009E+01 -4.1886E+00 2.4561E+00 H2 3858 1.008000 0.423800 -8.8223E+00 -4.3474E+00 1.3461E+00 O6 3859 15.999400 -0.847600 -2.3870E+00 4.2483E+00 1.0648E+01 H1 3860 1.008000 0.423800 -2.1636E+00 4.9832E+00 1.1289E+01 H2 3861 1.008000 0.423800 -1.5454E+00 3.7953E+00 1.0354E+01 O6 3862 15.999400 -0.847600 1.4398E+01 -1.8505E+01 -1.7256E+01 H1 3863 1.008000 0.423800 1.4841E+01 -1.9345E+01 -1.6941E+01 H2 3864 1.008000 0.423800 1.4544E+01 -1.8399E+01 -1.8239E+01 O6 3865 15.999400 -0.847600 -5.0166E+00 -5.8801E+00 -1.5291E+01 H1 3866 1.008000 0.423800 -5.3679E+00 -6.4652E+00 -1.6022E+01 H2 3867 1.008000 0.423800 -5.6876E+00 -5.8321E+00 -1.4551E+01 O6 3868 15.999400 -0.847600 1.4547E+01 -1.4773E+01 -6.0532E+00 H1 3869 1.008000 0.423800 1.3726E+01 -1.4352E+01 -5.6682E+00 H2 3870 1.008000 0.423800 1.5266E+01 -1.4083E+01 -6.1397E+00 O6 3871 15.999400 -0.847600 -1.9214E+01 -1.5296E+01 4.4303E+00 H1 3872 1.008000 0.423800 1.9421E+01 -1.6011E+01 3.9051E+00 H2 3873 1.008000 0.423800 -1.8859E+01 -1.5685E+01 5.2808E+00 O6 3874 15.999400 -0.847600 1.4467E+01 -6.9677E+00 -9.4755E+00 H1 3875 1.008000 0.423800 1.3891E+01 -7.5592E+00 -8.9107E+00 H2 3876 1.008000 0.423800 1.5281E+01 -6.7037E+00 -8.9589E+00 O6 3877 15.999400 -0.847600 3.8878E+00 6.0899E+00 2.2420E+00 H1 3878 1.008000 0.423800 4.1960E+00 5.5207E+00 3.0043E+00 H2 3879 1.008000 0.423800 2.9441E+00 6.3792E+00 2.4025E+00 O6 3880 15.999400 -0.847600 -9.3026E+00 6.1326E+00 -1.2583E+01 H1 3881 1.008000 0.423800 -9.4636E+00 5.3395E+00 -1.3171E+01 H2 3882 1.008000 0.423800 -8.8394E+00 6.8471E+00 -1.3107E+01 O6 3883 15.999400 -0.847600 -4.8528E+00 1.4057E+01 -2.3030E-01 H1 3884 1.008000 0.423800 -3.8663E+00 1.3907E+01 -1.6259E-01 H2 3885 1.008000 0.423800 -5.2727E+00 1.3292E+01 -7.1933E-01 O6 3886 15.999400 -0.847600 1.6852E+01 1.6073E+01 -1.2197E+01 H1 3887 1.008000 0.423800 1.6604E+01 1.6996E+01 -1.1902E+01 H2 3888 1.008000 0.423800 1.6070E+01 1.5462E+01 -1.2072E+01 O6 3889 15.999400 -0.847600 -4.4117E+00 1.4696E+01 -1.1335E+01 H1 3890 1.008000 0.423800 -4.2706E+00 1.5675E+01 -1.1481E+01 H2 3891 1.008000 0.423800 -5.2211E+00 1.4397E+01 -1.1841E+01 O6 3892 15.999400 -0.847600 9.2294E+00 -7.6018E+00 1.3008E+01 H1 3893 1.008000 0.423800 9.1026E+00 -8.4071E+00 1.2429E+01 H2 3894 1.008000 0.423800 9.2706E+00 -6.7828E+00 1.2436E+01 O6 3895 15.999400 -0.847600 1.9171E+01 9.1263E+00 -1.1963E+01 H1 3896 1.008000 0.423800 1.8767E+01 9.6680E+00 -1.1227E+01 H2 3897 1.008000 0.423800 -1.8962E+01 8.9565E+00 -1.1761E+01 O6 3898 15.999400 -0.847600 1.0890E+01 3.9022E+00 -9.3353E+00 H1 3899 1.008000 0.423800 1.0790E+01 4.7213E+00 -9.9002E+00 H2 3900 1.008000 0.423800 1.1816E+01 3.8667E+00 -8.9606E+00 O6 3901 15.999400 -0.847600 6.3281E+00 -5.8748E+00 -3.5450E+00 H1 3902 1.008000 0.423800 6.4377E+00 -5.7080E+00 -2.5651E+00 H2 3903 1.008000 0.423800 5.3650E+00 -5.7735E+00 -3.7946E+00 O6 3904 15.999400 -0.847600 -1.3123E+01 6.3892E+00 1.5591E+01 H1 3905 1.008000 0.423800 -1.2222E+01 6.7635E+00 1.5809E+01 H2 3906 1.008000 0.423800 -1.3358E+01 5.6785E+00 1.6254E+01 O6 3907 15.999400 -0.847600 1.1762E+01 1.3628E+01 7.2643E+00 H1 3908 1.008000 0.423800 1.0803E+01 1.3366E+01 7.3733E+00 H2 3909 1.008000 0.423800 1.2187E+01 1.3052E+01 6.5660E+00 O6 3910 15.999400 -0.847600 -5.9181E-01 -5.9368E+00 9.5791E-01 H1 3911 1.008000 0.423800 7.6160E-03 -6.1097E+00 1.7395E+00 H2 3912 1.008000 0.423800 -1.3084E+00 -5.2920E+00 1.2238E+00 O6 3913 15.999400 -0.847600 -4.5411E+00 1.8262E+01 -7.7494E+00 H1 3914 1.008000 0.423800 -3.8111E+00 1.7666E+01 -8.0839E+00 H2 3915 1.008000 0.423800 -4.9911E+00 1.7831E+01 -6.9672E+00 O6 3916 15.999400 -0.847600 1.5171E-01 2.8639E+00 1.0590E+01 H1 3917 1.008000 0.423800 5.9721E-02 1.8996E+00 1.0838E+01 H2 3918 1.008000 0.423800 7.4697E-01 2.9468E+00 9.7903E+00 O6 3919 15.999400 -0.847600 -1.3411E+01 -1.1657E+01 -1.2121E+01 H1 3920 1.008000 0.423800 -1.3218E+01 -1.2639E+01 -1.2117E+01 H2 3921 1.008000 0.423800 -1.2917E+01 -1.1224E+01 -1.2874E+01 O6 3922 15.999400 -0.847600 -1.9152E+01 -3.4333E+00 -3.1201E+00 H1 3923 1.008000 0.423800 -1.8426E+01 -4.0104E+00 -2.7468E+00 H2 3924 1.008000 0.423800 1.9056E+01 -3.8204E+00 -2.8796E+00 O6 3925 15.999400 -0.847600 -8.8724E+00 -1.0969E+01 1.4271E+01 H1 3926 1.008000 0.423800 -9.1438E+00 -1.0036E+01 1.4034E+01 H2 3927 1.008000 0.423800 -9.1680E+00 -1.1596E+01 1.3550E+01 O6 3928 15.999400 -0.847600 -1.4378E+01 6.8945E+00 -1.3700E+01 H1 3929 1.008000 0.423800 -1.4133E+01 7.5970E+00 -1.4368E+01 H2 3930 1.008000 0.423800 -1.4025E+01 7.1524E+00 -1.2800E+01 O6 3931 15.999400 -0.847600 5.5831E+00 4.4340E+00 1.7582E-01 H1 3932 1.008000 0.423800 5.3683E+00 4.9140E+00 1.0265E+00 H2 3933 1.008000 0.423800 6.5707E+00 4.2894E+00 1.1500E-01 O6 3934 15.999400 -0.847600 -1.5156E+01 2.5934E+00 -3.4320E-02 H1 3935 1.008000 0.423800 -1.5180E+01 2.9818E+00 -9.5550E-01 H2 3936 1.008000 0.423800 -1.6041E+01 2.7305E+00 4.0887E-01 O6 3937 15.999400 -0.847600 -3.4584E+00 2.5535E+00 1.2671E+01 H1 3938 1.008000 0.423800 -3.0760E+00 2.9783E+00 1.1851E+01 H2 3939 1.008000 0.423800 -2.7520E+00 2.4960E+00 1.3377E+01 O6 3940 15.999400 -0.847600 -1.6070E+01 -8.5955E+00 -7.6862E+00 H1 3941 1.008000 0.423800 -1.5702E+01 -9.1986E+00 -6.9780E+00 H2 3942 1.008000 0.423800 -1.5359E+01 -8.4074E+00 -8.3647E+00 O6 3943 15.999400 -0.847600 -1.6107E+01 -1.5266E+01 5.1256E+00 H1 3944 1.008000 0.423800 -1.6133E+01 -1.5632E+01 6.0560E+00 H2 3945 1.008000 0.423800 -1.6708E+01 -1.4469E+01 5.0641E+00 O6 3946 15.999400 -0.847600 -1.8329E+01 8.7103E+00 3.3162E+00 H1 3947 1.008000 0.423800 -1.8449E+01 9.0538E+00 2.3846E+00 H2 3948 1.008000 0.423800 -1.9180E+01 8.8313E+00 3.8278E+00 O6 3949 15.999400 -0.847600 7.3318E+00 1.6870E+01 7.0693E+00 H1 3950 1.008000 0.423800 7.6602E+00 1.7743E+01 7.4315E+00 H2 3951 1.008000 0.423800 7.0156E+00 1.6294E+01 7.8231E+00 O6 3952 15.999400 -0.847600 1.8970E+01 -9.7038E+00 -1.2015E+00 H1 3953 1.008000 0.423800 -1.9132E+01 -9.7819E+00 -1.2536E+00 H2 3954 1.008000 0.423800 1.8670E+01 -8.9072E+00 -1.7264E+00 O6 3955 15.999400 -0.847600 -1.8740E+01 -1.7669E+01 2.5482E+00 H1 3956 1.008000 0.423800 -1.7847E+01 -1.8093E+01 2.3927E+00 H2 3957 1.008000 0.423800 -1.9443E+01 -1.8379E+01 2.5890E+00 O6 3958 15.999400 -0.847600 -1.6812E+01 8.1554E+00 8.9344E+00 H1 3959 1.008000 0.423800 -1.7357E+01 8.2529E+00 9.7670E+00 H2 3960 1.008000 0.423800 -1.7280E+01 8.6077E+00 8.1749E+00 O6 3961 15.999400 -0.847600 9.2930E+00 -1.4119E+01 -1.2869E+01 H1 3962 1.008000 0.423800 9.9091E+00 -1.3669E+01 -1.3516E+01 H2 3963 1.008000 0.423800 9.2732E+00 -1.3603E+01 -1.2013E+01 O6 3964 15.999400 -0.847600 -3.2077E+00 1.1192E+01 -1.4549E+01 H1 3965 1.008000 0.423800 -4.2008E+00 1.1282E+01 -1.4625E+01 H2 3966 1.008000 0.423800 -2.9537E+00 1.1097E+01 -1.3587E+01 O6 3967 15.999400 -0.847600 1.6833E+01 -1.8062E+01 1.6507E+01 H1 3968 1.008000 0.423800 1.6492E+01 -1.9000E+01 1.6563E+01 H2 3969 1.008000 0.423800 1.7301E+01 -1.7826E+01 1.7359E+01 O6 3970 15.999400 -0.847600 -4.7490E+00 -3.8156E+00 -8.8722E+00 H1 3971 1.008000 0.423800 -3.9359E+00 -3.5197E+00 -9.3735E+00 H2 3972 1.008000 0.423800 -4.5026E+00 -4.5526E+00 -8.2428E+00 O6 3973 15.999400 -0.847600 4.2651E+00 -1.7012E+01 -1.3724E+01 H1 3974 1.008000 0.423800 4.9408E+00 -1.6277E+01 -1.3667E+01 H2 3975 1.008000 0.423800 4.4393E+00 -1.7682E+01 -1.3002E+01 O6 3976 15.999400 -0.847600 -2.2606E+00 1.1582E+01 -1.2030E+01 H1 3977 1.008000 0.423800 -1.9167E+00 1.2519E+01 -1.2086E+01 H2 3978 1.008000 0.423800 -2.9200E+00 1.1513E+01 -1.1282E+01 O6 3979 15.999400 -0.847600 6.8848E+00 -1.6493E+01 1.1290E+01 H1 3980 1.008000 0.423800 7.6392E+00 -1.6378E+01 1.0644E+01 H2 3981 1.008000 0.423800 7.1574E+00 -1.7131E+01 1.2010E+01 O6 3982 15.999400 -0.847600 4.4609E+00 1.6982E+00 -2.9938E+00 H1 3983 1.008000 0.423800 4.4757E+00 1.8107E+00 -2.0002E+00 H2 3984 1.008000 0.423800 4.2655E+00 2.5785E+00 -3.4259E+00 O6 3985 15.999400 -0.847600 1.6762E+01 -1.2485E+01 -9.2524E+00 H1 3986 1.008000 0.423800 1.6703E+01 -1.2709E+01 -8.2795E+00 H2 3987 1.008000 0.423800 1.6286E+01 -1.1622E+01 -9.4253E+00 O6 3988 15.999400 -0.847600 -9.0795E+00 -7.1812E-02 -1.4696E-01 H1 3989 1.008000 0.423800 -9.2995E+00 -8.1165E-01 4.8888E-01 H2 3990 1.008000 0.423800 -8.4920E+00 5.9627E-01 3.0952E-01 O6 3991 15.999400 -0.847600 -6.0753E+00 -1.6293E+01 -5.9847E+00 H1 3992 1.008000 0.423800 -5.1567E+00 -1.6391E+01 -5.6021E+00 H2 3993 1.008000 0.423800 -6.1411E+00 -1.6818E+01 -6.8332E+00 O6 3994 15.999400 -0.847600 1.3133E+01 4.1906E-01 -5.3806E+00 H1 3995 1.008000 0.423800 1.3368E+01 -4.1602E-01 -5.8780E+00 H2 3996 1.008000 0.423800 1.2170E+01 6.3893E-01 -5.5348E+00 O6 3997 15.999400 -0.847600 1.4463E+01 1.4146E-01 7.7875E-02 H1 3998 1.008000 0.423800 1.3961E+01 9.7492E-01 -1.5397E-01 H2 3999 1.008000 0.423800 1.4158E+01 -6.0600E-01 -5.1238E-01 O6 4000 15.999400 -0.847600 1.0703E+01 6.0738E+00 1.0994E+01 H1 4001 1.008000 0.423800 9.7910E+00 5.8324E+00 1.1324E+01 H2 4002 1.008000 0.423800 1.1393E+01 5.6452E+00 1.1577E+01 O6 4003 15.999400 -0.847600 6.1312E+00 -6.7308E-01 1.6416E+01 H1 4004 1.008000 0.423800 5.9173E+00 -8.9774E-01 1.7367E+01 H2 4005 1.008000 0.423800 5.5473E+00 7.9646E-02 1.6112E+01 O6 4006 15.999400 -0.847600 -1.0871E+01 1.7444E+01 7.8597E+00 H1 4007 1.008000 0.423800 -1.1620E+01 1.7956E+01 8.2812E+00 H2 4008 1.008000 0.423800 -1.0702E+01 1.7798E+01 6.9399E+00 O6 4009 15.999400 -0.847600 -8.1800E+00 -6.5913E+00 1.4626E+01 H1 4010 1.008000 0.423800 -7.6675E+00 -5.8123E+00 1.4987E+01 H2 4011 1.008000 0.423800 -7.6255E+00 -7.0673E+00 1.3943E+01 O6 4012 15.999400 -0.847600 1.5578E+01 -6.0522E-02 -1.6735E+01 H1 4013 1.008000 0.423800 1.6169E+01 7.2530E-01 -1.6918E+01 H2 4014 1.008000 0.423800 1.6062E+01 -9.0324E-01 -1.6972E+01 O6 4015 15.999400 -0.847600 -3.3642E+00 -1.7994E+01 9.1218E+00 H1 4016 1.008000 0.423800 -4.0997E+00 -1.7526E+01 9.6122E+00 H2 4017 1.008000 0.423800 -2.8783E+00 -1.8601E+01 9.7501E+00 O6 4018 15.999400 -0.847600 1.4278E+01 7.7488E+00 -7.9255E+00 H1 4019 1.008000 0.423800 1.4203E+01 6.7618E+00 -8.0674E+00 H2 4020 1.008000 0.423800 1.3368E+01 8.1616E+00 -7.9624E+00 O6 4021 15.999400 -0.847600 -1.8573E+01 -1.5510E+01 -1.0768E+01 H1 4022 1.008000 0.423800 -1.7589E+01 -1.5691E+01 -1.0758E+01 H2 4023 1.008000 0.423800 -1.9067E+01 -1.6343E+01 -1.0518E+01 O6 4024 15.999400 -0.847600 1.6028E+01 1.6881E+01 -2.8320E-01 H1 4025 1.008000 0.423800 1.5914E+01 1.6187E+01 -9.9417E-01 H2 4026 1.008000 0.423800 1.6741E+01 1.7526E+01 -5.5804E-01 O6 4027 15.999400 -0.847600 -1.8189E+01 -1.0860E+01 -1.7986E+01 H1 4028 1.008000 0.423800 -1.9060E+01 -1.0999E+01 -1.8459E+01 H2 4029 1.008000 0.423800 -1.7564E+01 -1.0354E+01 -1.8580E+01 O6 4030 15.999400 -0.847600 1.6698E+01 -1.6248E+01 -1.2785E+01 H1 4031 1.008000 0.423800 1.6023E+01 -1.5827E+01 -1.2178E+01 H2 4032 1.008000 0.423800 1.6244E+01 -1.6577E+01 -1.3612E+01 O6 4033 15.999400 -0.847600 -1.6658E+01 -4.8382E+00 -9.1916E+00 H1 4034 1.008000 0.423800 -1.6959E+01 -5.7173E+00 -8.8215E+00 H2 4035 1.008000 0.423800 -1.7207E+01 -4.1036E+00 -8.7932E+00 O6 4036 15.999400 -0.847600 1.6064E+01 -6.6151E+00 2.6129E+00 H1 4037 1.008000 0.423800 1.5768E+01 -6.4207E+00 3.5480E+00 H2 4038 1.008000 0.423800 1.7062E+01 -6.5659E+00 2.5627E+00 O6 4039 15.999400 -0.847600 -6.0252E+00 -1.4956E+01 6.2286E+00 H1 4040 1.008000 0.423800 -5.9606E+00 -1.5947E+01 6.3462E+00 H2 4041 1.008000 0.423800 -5.1268E+00 -1.4543E+01 6.3787E+00 O6 4042 15.999400 -0.847600 -3.1009E+00 -8.0627E+00 -5.5985E+00 H1 4043 1.008000 0.423800 -2.9333E+00 -7.3545E+00 -6.2844E+00 H2 4044 1.008000 0.423800 -3.1006E+00 -8.9603E+00 -6.0393E+00 O6 4045 15.999400 -0.847600 -1.3665E+01 6.3070E+00 -1.7342E+01 H1 4046 1.008000 0.423800 -1.4328E+01 6.4401E+00 -1.8079E+01 H2 4047 1.008000 0.423800 -1.3665E+01 5.3469E+00 -1.7062E+01 O6 4048 15.999400 -0.847600 1.7864E+01 -1.9025E+01 -1.7926E+01 H1 4049 1.008000 0.423800 1.8102E+01 -1.8553E+01 -1.8774E+01 H2 4050 1.008000 0.423800 1.8375E+01 1.9215E+01 -1.7867E+01 O6 4051 15.999400 -0.847600 -1.9484E+01 -3.1332E+00 1.8813E+01 H1 4052 1.008000 0.423800 -1.9478E+01 -2.1755E+00 1.9101E+01 H2 4053 1.008000 0.423800 -1.8586E+01 -3.3757E+00 1.8445E+01 O6 4054 15.999400 -0.847600 6.2567E+00 1.6062E+01 1.4393E+01 H1 4055 1.008000 0.423800 5.7139E+00 1.5615E+01 1.3682E+01 H2 4056 1.008000 0.423800 6.0056E+00 1.7028E+01 1.4446E+01 O6 4057 15.999400 -0.847600 -1.3175E+01 8.5086E+00 -1.5504E+01 H1 4058 1.008000 0.423800 -1.3736E+01 9.1995E+00 -1.5960E+01 H2 4059 1.008000 0.423800 -1.2967E+01 7.7707E+00 -1.6146E+01 O6 4060 15.999400 -0.847600 -1.7910E+01 -1.8265E+01 1.5255E+01 H1 4061 1.008000 0.423800 -1.8761E+01 -1.8062E+01 1.4769E+01 H2 4062 1.008000 0.423800 -1.7300E+01 -1.7474E+01 1.5202E+01 O6 4063 15.999400 -0.847600 -2.1370E+00 1.5512E+01 -2.9952E+00 H1 4064 1.008000 0.423800 -1.8780E+00 1.6387E+01 -3.4044E+00 H2 4065 1.008000 0.423800 -1.5253E+00 1.4795E+01 -3.3281E+00 O6 4066 15.999400 -0.847600 -1.9505E+01 1.3037E+01 6.1198E+00 H1 4067 1.008000 0.423800 1.9165E+01 1.2575E+01 5.3424E+00 H2 4068 1.008000 0.423800 -1.8794E+01 1.2450E+01 6.5069E+00 O6 4069 15.999400 -0.847600 -7.6976E+00 1.4522E+01 -1.8299E+01 H1 4070 1.008000 0.423800 -7.8752E+00 1.5496E+01 -1.8445E+01 H2 4071 1.008000 0.423800 -6.9406E+00 1.4415E+01 -1.7654E+01 O6 4072 15.999400 -0.847600 2.1074E+00 -1.4869E+01 -1.3849E+01 H1 4073 1.008000 0.423800 2.5651E+00 -1.5758E+01 -1.3842E+01 H2 4074 1.008000 0.423800 2.6507E+00 -1.4209E+01 -1.3330E+01 O6 4075 15.999400 -0.847600 -4.0670E+00 2.0159E+00 -1.3289E+01 H1 4076 1.008000 0.423800 -3.3333E+00 1.4348E+00 -1.2937E+01 H2 4077 1.008000 0.423800 -4.0428E+00 2.0141E+00 -1.4289E+01 O6 4078 15.999400 -0.847600 -4.1396E-01 -6.3405E+00 1.1416E+01 H1 4079 1.008000 0.423800 -4.3741E-01 -5.3537E+00 1.1256E+01 H2 4080 1.008000 0.423800 4.7271E-01 -6.7036E+00 1.1130E+01 O6 4081 15.999400 -0.847600 -4.8815E+00 1.6961E+01 -1.8198E+01 H1 4082 1.008000 0.423800 -5.0104E+00 1.6222E+01 -1.7536E+01 H2 4083 1.008000 0.423800 -5.7488E+00 1.7151E+01 -1.8658E+01 O6 4084 15.999400 -0.847600 1.9285E+01 3.9778E+00 -3.8075E+00 H1 4085 1.008000 0.423800 1.9450E+01 4.8711E+00 -4.2259E+00 H2 4086 1.008000 0.423800 1.8341E+01 3.6982E+00 -3.9799E+00 O6 4087 15.999400 -0.847600 -1.4297E+01 1.1803E+01 6.9559E+00 H1 4088 1.008000 0.423800 -1.4141E+01 1.1498E+01 7.8954E+00 H2 4089 1.008000 0.423800 -1.3596E+01 1.2469E+01 6.7012E+00 O6 4090 15.999400 -0.847600 -1.3097E+01 -7.6113E+00 -4.6279E+00 H1 4091 1.008000 0.423800 -1.2460E+01 -7.0477E+00 -5.1539E+00 H2 4092 1.008000 0.423800 -1.2866E+01 -7.5566E+00 -3.6564E+00 O6 4093 15.999400 -0.847600 -1.1259E+01 -9.7687E+00 1.7784E+01 H1 4094 1.008000 0.423800 -1.2029E+01 -1.0116E+01 1.8319E+01 H2 4095 1.008000 0.423800 -1.1006E+01 -1.0442E+01 1.7089E+01 O6 4096 15.999400 -0.847600 -4.5879E+00 1.3615E+00 1.8857E+01 H1 4097 1.008000 0.423800 -5.0384E+00 1.8597E+00 1.8116E+01 H2 4098 1.008000 0.423800 -5.2067E+00 6.6074E-01 1.9212E+01 O6 4099 15.999400 -0.847600 -1.8652E+01 6.1729E-01 2.2405E+00 H1 4100 1.008000 0.423800 -1.7722E+01 3.0741E-01 2.4414E+00 H2 4101 1.008000 0.423800 -1.9310E+01 -1.4262E-02 2.6508E+00 O6 4102 15.999400 -0.847600 2.8649E+00 -1.4623E+01 4.9249E+00 H1 4103 1.008000 0.423800 3.7540E+00 -1.5077E+01 4.9826E+00 H2 4104 1.008000 0.423800 2.1390E+00 -1.5310E+01 4.9198E+00 O6 4105 15.999400 -0.847600 1.3242E+01 1.5009E-01 2.6730E+00 H1 4106 1.008000 0.423800 1.3638E+01 8.2482E-01 2.0505E+00 H2 4107 1.008000 0.423800 1.3501E+01 -7.6922E-01 2.3773E+00 O6 4108 15.999400 -0.847600 1.7821E+01 3.4209E+00 1.0325E+01 H1 4109 1.008000 0.423800 1.7295E+01 3.4139E+00 9.4744E+00 H2 4110 1.008000 0.423800 1.8747E+01 3.0884E+00 1.0146E+01 O6 4111 15.999400 -0.847600 1.7057E+01 -9.6164E+00 1.8042E+01 H1 4112 1.008000 0.423800 1.6136E+01 -9.6485E+00 1.8431E+01 H2 4113 1.008000 0.423800 1.7005E+01 -9.3410E+00 1.7082E+01 O6 4114 15.999400 -0.847600 -5.6839E+00 -2.9863E+00 1.9434E+01 H1 4115 1.008000 0.423800 -4.7294E+00 -2.7007E+00 1.9521E+01 H2 4116 1.008000 0.423800 -5.7319E+00 -3.9848E+00 1.9407E+01 O6 4117 15.999400 -0.847600 -7.4624E+00 9.2552E+00 7.1046E+00 H1 4118 1.008000 0.423800 -7.2215E+00 9.1832E+00 8.0725E+00 H2 4119 1.008000 0.423800 -6.8612E+00 9.9191E+00 6.6600E+00 O6 4120 15.999400 -0.847600 7.5849E+00 1.1456E+01 -8.0720E+00 H1 4121 1.008000 0.423800 8.5817E+00 1.1404E+01 -8.1336E+00 H2 4122 1.008000 0.423800 7.2611E+00 1.0819E+01 -7.3723E+00 O6 4123 15.999400 -0.847600 -1.2858E+00 2.0720E+00 1.4436E+01 H1 4124 1.008000 0.423800 -3.8359E-01 2.4389E+00 1.4209E+01 H2 4125 1.008000 0.423800 -1.3813E+00 1.1565E+00 1.4045E+01 O6 4126 15.999400 -0.847600 1.6251E+01 6.1897E+00 8.4087E+00 H1 4127 1.008000 0.423800 1.5886E+01 5.3819E+00 8.8716E+00 H2 4128 1.008000 0.423800 1.6854E+01 5.9032E+00 7.6637E+00 O6 4129 15.999400 -0.847600 -8.5786E-01 -1.9020E+01 6.2933E+00 H1 4130 1.008000 0.423800 1.3313E-01 -1.9149E+01 6.3294E+00 H2 4131 1.008000 0.423800 -1.2966E+00 1.9479E+01 6.9629E+00 O6 4132 15.999400 -0.847600 1.7356E+01 1.2885E+01 -2.3724E+00 H1 4133 1.008000 0.423800 1.6761E+01 1.3482E+01 -1.8348E+00 H2 4134 1.008000 0.423800 1.8229E+01 1.2770E+01 -1.8976E+00 O6 4135 15.999400 -0.847600 2.7890E+00 -1.7263E+01 -4.7641E+00 H1 4136 1.008000 0.423800 2.8385E+00 -1.7821E+01 -5.5929E+00 H2 4137 1.008000 0.423800 3.0041E+00 -1.6313E+01 -4.9883E+00 O6 4138 15.999400 -0.847600 9.1760E+00 1.7044E+01 1.6980E+01 H1 4139 1.008000 0.423800 8.7579E+00 1.7950E+01 1.7043E+01 H2 4140 1.008000 0.423800 8.6961E+00 1.6412E+01 1.7588E+01 O6 4141 15.999400 -0.847600 4.5774E+00 7.2712E+00 -1.3443E+01 H1 4142 1.008000 0.423800 4.6843E+00 6.6211E+00 -1.2691E+01 H2 4143 1.008000 0.423800 3.8106E+00 6.9899E+00 -1.4020E+01 O6 4144 15.999400 -0.847600 -1.2288E+01 -1.3582E+01 1.3967E+01 H1 4145 1.008000 0.423800 -1.2286E+01 -1.4574E+01 1.4100E+01 H2 4146 1.008000 0.423800 -1.2271E+01 -1.3377E+01 1.2988E+01 O6 4147 15.999400 -0.847600 2.7790E+00 1.3074E+01 -1.9437E+01 H1 4148 1.008000 0.423800 2.8307E+00 1.2353E+01 1.8970E+01 H2 4149 1.008000 0.423800 3.6506E+00 1.3133E+01 -1.8950E+01 O6 4150 15.999400 -0.847600 1.6876E+01 -1.5594E+01 1.0225E+01 H1 4151 1.008000 0.423800 1.6133E+01 -1.6220E+01 1.0462E+01 H2 4152 1.008000 0.423800 1.6703E+01 -1.4700E+01 1.0640E+01 O6 4153 15.999400 -0.847600 1.0805E+00 4.7529E+00 -2.9556E+00 H1 4154 1.008000 0.423800 3.4961E-01 5.3570E+00 -2.6379E+00 H2 4155 1.008000 0.423800 1.4832E+00 5.1277E+00 -3.7907E+00 O6 4156 15.999400 -0.847600 1.7886E+01 2.7749E+00 1.4341E-01 H1 4157 1.008000 0.423800 1.8490E+01 2.1763E+00 -3.8256E-01 H2 4158 1.008000 0.423800 1.8413E+01 3.5413E+00 5.1035E-01 O6 4159 15.999400 -0.847600 1.1895E+01 1.8474E+01 -1.4339E+01 H1 4160 1.008000 0.423800 1.1833E+01 1.7687E+01 -1.3726E+01 H2 4161 1.008000 0.423800 1.1144E+01 1.9106E+01 -1.4147E+01 O6 4162 15.999400 -0.847600 1.6302E+01 -2.4292E+00 -1.2569E+01 H1 4163 1.008000 0.423800 1.5419E+01 -2.1001E+00 -1.2903E+01 H2 4164 1.008000 0.423800 1.6811E+01 -2.8417E+00 -1.3325E+01 O6 4165 15.999400 -0.847600 5.7632E+00 5.5336E+00 -2.3004E+00 H1 4166 1.008000 0.423800 5.5038E+00 5.0247E+00 -1.4796E+00 H2 4167 1.008000 0.423800 5.4466E+00 6.4787E+00 -2.2205E+00 O6 4168 15.999400 -0.847600 1.0095E+01 2.7241E+00 1.7138E+01 H1 4169 1.008000 0.423800 1.0189E+01 2.9424E+00 1.6167E+01 H2 4170 1.008000 0.423800 1.0659E+01 3.3507E+00 1.7676E+01 O6 4171 15.999400 -0.847600 1.4921E+01 -1.7016E+01 -1.0562E+01 H1 4172 1.008000 0.423800 1.5866E+01 -1.7142E+01 -1.0864E+01 H2 4173 1.008000 0.423800 1.4862E+01 -1.7177E+01 -9.5763E+00 O6 4174 15.999400 -0.847600 1.0388E+01 7.2385E+00 -1.4770E+01 H1 4175 1.008000 0.423800 9.9841E+00 6.3314E+00 -1.4889E+01 H2 4176 1.008000 0.423800 1.0533E+01 7.6585E+00 -1.5666E+01 O6 4177 15.999400 -0.847600 4.4053E+00 -1.2926E+01 -3.1954E+00 H1 4178 1.008000 0.423800 3.9022E+00 -1.3317E+01 -2.4249E+00 H2 4179 1.008000 0.423800 5.1822E+00 -1.2398E+01 -2.8524E+00 O6 4180 15.999400 -0.847600 -6.7365E+00 -4.2564E+00 1.5457E+01 H1 4181 1.008000 0.423800 -7.3473E+00 -3.9584E+00 1.4723E+01 H2 4182 1.008000 0.423800 -6.8123E+00 -3.6268E+00 1.6230E+01 O6 4183 15.999400 -0.847600 1.8939E+01 -1.4767E+01 -1.3344E+01 H1 4184 1.008000 0.423800 1.9451E+01 -1.4870E+01 -1.2491E+01 H2 4185 1.008000 0.423800 1.8088E+01 -1.5289E+01 -1.3286E+01 O6 4186 15.999400 -0.847600 1.3766E+01 -1.7043E+01 1.9299E+01 H1 4187 1.008000 0.423800 1.3111E+01 -1.6358E+01 1.8982E+01 H2 4188 1.008000 0.423800 1.3627E+01 -1.7895E+01 1.8794E+01 O6 4189 15.999400 -0.847600 -1.3404E+01 -1.5010E+01 -5.1258E+00 H1 4190 1.008000 0.423800 -1.4146E+01 -1.4694E+01 -5.7169E+00 H2 4191 1.008000 0.423800 -1.2983E+01 -1.5824E+01 -5.5261E+00 O6 4192 15.999400 -0.847600 3.1640E+00 1.4723E+01 -5.4540E+00 H1 4193 1.008000 0.423800 3.6393E+00 1.5167E+01 -4.6948E+00 H2 4194 1.008000 0.423800 3.5227E+00 1.5069E+01 -6.3206E+00 O6 4195 15.999400 -0.847600 1.5233E+01 -1.5294E+01 7.5047E+00 H1 4196 1.008000 0.423800 1.4673E+01 -1.5328E+01 8.3324E+00 H2 4197 1.008000 0.423800 1.6190E+01 -1.5145E+01 7.7556E+00 O6 4198 15.999400 -0.847600 -8.5126E+00 1.3208E+01 -4.0161E+00 H1 4199 1.008000 0.423800 -8.4304E+00 1.2966E+01 -3.0493E+00 H2 4200 1.008000 0.423800 -9.4004E+00 1.3639E+01 -4.1773E+00 O6 4201 15.999400 -0.847600 -7.9979E+00 -7.2249E-01 -5.4830E+00 H1 4202 1.008000 0.423800 -8.6653E+00 -1.3413E+00 -5.8972E+00 H2 4203 1.008000 0.423800 -8.3935E+00 -3.0460E-01 -4.6652E+00 O6 4204 15.999400 -0.847600 5.9864E+00 -8.3206E+00 6.3887E+00 H1 4205 1.008000 0.423800 5.6857E+00 -9.1420E+00 5.9041E+00 H2 4206 1.008000 0.423800 5.7418E+00 -8.3956E+00 7.3554E+00 O6 4207 15.999400 -0.847600 2.7192E+00 -1.4917E+01 1.3632E+01 H1 4208 1.008000 0.423800 3.4758E+00 -1.5034E+01 1.2988E+01 H2 4209 1.008000 0.423800 3.0706E+00 -1.4564E+01 1.4499E+01 O6 4210 15.999400 -0.847600 1.8017E+01 1.1354E+01 -6.6475E+00 H1 4211 1.008000 0.423800 1.7088E+01 1.1151E+01 -6.9580E+00 H2 4212 1.008000 0.423800 1.8583E+01 1.1606E+01 -7.4323E+00 O6 4213 15.999400 -0.847600 1.5325E+01 6.2336E-01 1.8320E+01 H1 4214 1.008000 0.423800 1.4779E+01 4.5414E-01 1.9140E+01 H2 4215 1.008000 0.423800 1.5116E+01 -7.1401E-02 1.7631E+01 O6 4216 15.999400 -0.847600 -1.9454E+01 -6.1601E+00 -5.2131E+00 H1 4217 1.008000 0.423800 -1.8886E+01 -6.9418E+00 -5.4700E+00 H2 4218 1.008000 0.423800 1.8846E+01 -6.4814E+00 -4.7017E+00 O6 4219 15.999400 -0.847600 -1.8209E-02 4.6642E-01 1.1431E+01 H1 4220 1.008000 0.423800 1.0106E-01 -2.1579E-01 1.0710E+01 H2 4221 1.008000 0.423800 -6.0894E-01 9.4505E-02 1.2147E+01 O6 4222 15.999400 -0.847600 1.8194E+01 9.8753E+00 6.3747E+00 H1 4223 1.008000 0.423800 1.7312E+01 9.9925E+00 6.8318E+00 H2 4224 1.008000 0.423800 1.8046E+01 9.7386E+00 5.3952E+00 O6 4225 15.999400 -0.847600 -1.0636E+01 1.9280E+01 -1.5212E+01 H1 4226 1.008000 0.423800 -1.0622E+01 1.9472E+01 -1.4230E+01 H2 4227 1.008000 0.423800 -1.0115E+01 1.8447E+01 -1.5396E+01 O6 4228 15.999400 -0.847600 6.6347E+00 -9.7361E+00 -1.8724E+01 H1 4229 1.008000 0.423800 6.7498E+00 -9.3751E+00 -1.7799E+01 H2 4230 1.008000 0.423800 6.5569E+00 -1.0732E+01 -1.8686E+01 O6 4231 15.999400 -0.847600 -1.4907E+01 -1.0006E+01 -5.1754E+00 H1 4232 1.008000 0.423800 -1.4241E+01 -9.3491E+00 -4.8215E+00 H2 4233 1.008000 0.423800 -1.4426E+01 -1.0795E+01 -5.5573E+00 O6 4234 15.999400 -0.847600 1.0971E+01 -1.8707E+01 -1.0559E+01 H1 4235 1.008000 0.423800 1.1829E+01 -1.8651E+01 -1.1069E+01 H2 4236 1.008000 0.423800 1.0355E+01 -1.7979E+01 -1.0861E+01 O6 4237 15.999400 -0.847600 1.5938E+01 -2.5965E+00 3.2703E-01 H1 4238 1.008000 0.423800 1.5886E+01 -2.2777E+00 -6.1938E-01 H2 4239 1.008000 0.423800 1.6776E+01 -2.2510E+00 7.4950E-01 O6 4240 15.999400 -0.847600 -1.4643E+01 -1.5434E+01 1.3314E+01 H1 4241 1.008000 0.423800 -1.5100E+01 -1.5670E+01 1.4171E+01 H2 4242 1.008000 0.423800 -1.4044E+01 -1.6186E+01 1.3038E+01 O6 4243 15.999400 -0.847600 -1.8750E+01 -2.3897E+00 3.1560E+00 H1 4244 1.008000 0.423800 -1.9086E+01 -2.4218E+00 4.0976E+00 H2 4245 1.008000 0.423800 -1.7902E+01 -1.8609E+00 3.1221E+00 O6 4246 15.999400 -0.847600 -1.5861E+01 6.6127E+00 -4.3519E+00 H1 4247 1.008000 0.423800 -1.4978E+01 7.0648E+00 -4.2290E+00 H2 4248 1.008000 0.423800 -1.5838E+01 5.7117E+00 -3.9189E+00 O6 4249 15.999400 -0.847600 -1.8386E+01 -1.4248E+01 1.1191E+01 H1 4250 1.008000 0.423800 -1.9020E+01 -1.3688E+01 1.0657E+01 H2 4251 1.008000 0.423800 -1.7479E+01 -1.3827E+01 1.1178E+01 O6 4252 15.999400 -0.847600 1.9167E+01 5.4123E+00 4.4443E-01 H1 4253 1.008000 0.423800 1.9053E+01 6.1441E+00 -2.2737E-01 H2 4254 1.008000 0.423800 1.9380E+01 5.8098E+00 1.3371E+00 O6 4255 15.999400 -0.847600 -1.0533E+01 1.8342E+01 -5.5778E+00 H1 4256 1.008000 0.423800 -1.0078E+01 1.7562E+01 -6.0073E+00 H2 4257 1.008000 0.423800 -1.0225E+01 1.8427E+01 -4.6303E+00 O6 4258 15.999400 -0.847600 8.4589E+00 1.2195E+01 -2.0158E+00 H1 4259 1.008000 0.423800 8.5759E+00 1.3056E+01 -1.5208E+00 H2 4260 1.008000 0.423800 7.6695E+00 1.2266E+01 -2.6255E+00 O6 4261 15.999400 -0.847600 -4.4297E+00 -3.3379E+00 -1.2388E+01 H1 4262 1.008000 0.423800 -4.1825E+00 -3.4191E+00 -1.3353E+01 H2 4263 1.008000 0.423800 -5.2950E+00 -3.8117E+00 -1.2224E+01 O6 4264 15.999400 -0.847600 -1.2254E+00 -1.5868E+01 -1.2522E+01 H1 4265 1.008000 0.423800 -1.4992E+00 -1.6695E+01 -1.3013E+01 H2 4266 1.008000 0.423800 -9.6557E-01 -1.5160E+01 -1.3179E+01 O6 4267 15.999400 -0.847600 -9.2671E+00 -9.4087E+00 7.1306E+00 H1 4268 1.008000 0.423800 -9.4825E+00 -9.1120E+00 6.2002E+00 H2 4269 1.008000 0.423800 -9.3571E+00 -1.0403E+01 7.1927E+00 O6 4270 15.999400 -0.847600 1.0239E+01 -1.7099E+01 1.1448E+01 H1 4271 1.008000 0.423800 1.0828E+01 -1.6375E+01 1.1807E+01 H2 4272 1.008000 0.423800 1.0278E+01 -1.7893E+01 1.2054E+01 O6 4273 15.999400 -0.847600 -1.1479E+01 6.5273E+00 4.8981E+00 H1 4274 1.008000 0.423800 -1.1971E+01 5.7253E+00 4.5597E+00 H2 4275 1.008000 0.423800 -1.2097E+01 7.0912E+00 5.4456E+00 O6 4276 15.999400 -0.847600 -1.6642E+01 1.0611E+01 -1.3492E+01 H1 4277 1.008000 0.423800 -1.7014E+01 1.0447E+01 -1.4406E+01 H2 4278 1.008000 0.423800 -1.6788E+01 9.8015E+00 -1.2924E+01 O6 4279 15.999400 -0.847600 5.0496E+00 1.8207E+01 -5.2636E+00 H1 4280 1.008000 0.423800 4.3053E+00 1.7897E+01 -4.6721E+00 H2 4281 1.008000 0.423800 5.7115E+00 1.8726E+01 -4.7223E+00 O6 4282 15.999400 -0.847600 1.6984E+01 1.4693E+01 3.6759E+00 H1 4283 1.008000 0.423800 1.7441E+01 1.5568E+01 3.8351E+00 H2 4284 1.008000 0.423800 1.7626E+01 1.3946E+01 3.8491E+00 O6 4285 15.999400 -0.847600 3.9529E+00 1.7860E+01 -1.4229E+01 H1 4286 1.008000 0.423800 4.6682E+00 1.7536E+01 -1.4849E+01 H2 4287 1.008000 0.423800 3.5132E+00 1.8668E+01 -1.4621E+01 O6 4288 15.999400 -0.847600 -1.1805E+01 1.3342E+01 5.8781E+00 H1 4289 1.008000 0.423800 -1.2526E+01 1.4034E+01 5.8213E+00 H2 4290 1.008000 0.423800 -1.1063E+01 1.3681E+01 6.4564E+00 O6 4291 15.999400 -0.847600 -3.7349E+00 -1.9543E+01 -3.0319E+00 H1 4292 1.008000 0.423800 -3.3941E+00 -1.8604E+01 -3.0026E+00 H2 4293 1.008000 0.423800 -4.6757E+00 -1.9546E+01 -3.3708E+00 O6 4294 15.999400 -0.847600 -9.0463E+00 -1.4185E+01 -1.3866E+01 H1 4295 1.008000 0.423800 -8.9063E+00 -1.5063E+01 -1.3408E+01 H2 4296 1.008000 0.423800 -8.7326E+00 -1.4249E+01 -1.4813E+01 O6 4297 15.999400 -0.847600 -1.5327E+01 -1.0539E+01 -1.6991E-02 H1 4298 1.008000 0.423800 -1.5026E+01 -1.0012E+01 7.7782E-01 H2 4299 1.008000 0.423800 -1.4556E+01 -1.0669E+01 -6.4096E-01 O6 4300 15.999400 -0.847600 7.7749E+00 -1.5619E+01 1.9417E+01 H1 4301 1.008000 0.423800 7.9840E+00 -1.4934E+01 1.8720E+01 H2 4302 1.008000 0.423800 8.2749E+00 -1.5404E+01 -1.8841E+01 O6 4303 15.999400 -0.847600 1.3433E+01 -9.3373E+00 4.5284E+00 H1 4304 1.008000 0.423800 1.2504E+01 -9.1346E+00 4.8383E+00 H2 4305 1.008000 0.423800 1.3542E+01 -1.0326E+01 4.4279E+00 O6 4306 15.999400 -0.847600 8.9417E+00 9.2287E+00 1.0747E+01 H1 4307 1.008000 0.423800 9.9414E+00 9.2188E+00 1.0724E+01 H2 4308 1.008000 0.423800 8.5934E+00 8.3307E+00 1.0478E+01 O6 4309 15.999400 -0.847600 1.2598E+00 5.2216E+00 -1.4299E+01 H1 4310 1.008000 0.423800 1.5914E+00 4.4220E+00 -1.4800E+01 H2 4311 1.008000 0.423800 2.6945E-01 5.1526E+00 -1.4180E+01 O6 4312 15.999400 -0.847600 -1.1800E+01 5.3603E+00 8.9564E+00 H1 4313 1.008000 0.423800 -1.2592E+01 5.1587E+00 8.3808E+00 H2 4314 1.008000 0.423800 -1.2097E+01 5.4746E+00 9.9044E+00 O6 4315 15.999400 -0.847600 -1.7519E+01 -9.2784E+00 -1.4690E+00 H1 4316 1.008000 0.423800 -1.7394E+01 -8.3033E+00 -1.2858E+00 H2 4317 1.008000 0.423800 -1.6686E+01 -9.7736E+00 -1.2213E+00 O6 4318 15.999400 -0.847600 1.4408E+01 5.3131E+00 -1.6825E+01 H1 4319 1.008000 0.423800 1.4065E+01 4.9840E+00 -1.5945E+01 H2 4320 1.008000 0.423800 1.4491E+01 6.3093E+00 -1.6799E+01 O6 4321 15.999400 -0.847600 -9.4591E+00 6.3660E+00 7.9710E+00 H1 4322 1.008000 0.423800 -8.7216E+00 6.0701E+00 8.5781E+00 H2 4323 1.008000 0.423800 -1.0341E+01 6.2097E+00 8.4165E+00 O6 4324 15.999400 -0.847600 1.0410E+00 1.3253E+01 -6.0384E+00 H1 4325 1.008000 0.423800 1.7355E+00 1.3971E+01 -5.9920E+00 H2 4326 1.008000 0.423800 6.2673E-01 1.3248E+01 -6.9485E+00 O6 4327 15.999400 -0.847600 5.1538E+00 -4.6202E+00 1.1602E+00 H1 4328 1.008000 0.423800 5.9687E+00 -4.4241E+00 1.7056E+00 H2 4329 1.008000 0.423800 5.1158E+00 -5.5988E+00 9.5775E-01 O6 4330 15.999400 -0.847600 -1.8714E+01 2.4116E+00 1.3971E+01 H1 4331 1.008000 0.423800 -1.9051E+01 3.1547E+00 1.3392E+01 H2 4332 1.008000 0.423800 -1.8621E+01 2.7376E+00 1.4911E+01 O6 4333 15.999400 -0.847600 -1.0875E+01 -1.5540E+01 -1.6470E+01 H1 4334 1.008000 0.423800 -1.0615E+01 -1.6381E+01 -1.6944E+01 H2 4335 1.008000 0.423800 -1.0198E+01 -1.4829E+01 -1.6659E+01 O6 4336 15.999400 -0.847600 -8.1441E+00 1.2008E+01 -1.6876E+01 H1 4337 1.008000 0.423800 -9.1048E+00 1.1742E+01 -1.6797E+01 H2 4338 1.008000 0.423800 -8.0856E+00 1.2962E+01 -1.7173E+01 O6 4339 15.999400 -0.847600 3.2902E+00 7.4422E+00 7.2243E+00 H1 4340 1.008000 0.423800 3.5548E+00 7.9854E+00 6.4275E+00 H2 4341 1.008000 0.423800 2.3126E+00 7.2370E+00 7.1780E+00 O6 4342 15.999400 -0.847600 2.1687E+00 1.3244E+01 1.0258E+01 H1 4343 1.008000 0.423800 2.1698E+00 1.4136E+01 9.8063E+00 H2 4344 1.008000 0.423800 1.9928E+00 1.3365E+01 1.1235E+01 O6 4345 15.999400 -0.847600 -1.5097E+01 1.4013E+01 1.4323E+00 H1 4346 1.008000 0.423800 -1.4529E+01 1.4359E+01 6.8541E-01 H2 4347 1.008000 0.423800 -1.5606E+01 1.3211E+01 1.1202E+00 O6 4348 15.999400 -0.847600 1.3788E+01 1.8650E+01 3.4358E-01 H1 4349 1.008000 0.423800 1.4674E+01 1.8298E+01 4.2492E-02 H2 4350 1.008000 0.423800 1.3644E+01 1.8412E+01 1.3041E+00 O6 4351 15.999400 -0.847600 -9.4079E+00 3.0792E+00 3.4074E+00 H1 4352 1.008000 0.423800 -8.5202E+00 3.0060E+00 3.8621E+00 H2 4353 1.008000 0.423800 -9.3652E+00 2.6243E+00 2.5179E+00 O6 4354 15.999400 -0.847600 4.2528E+00 -1.0363E+01 1.3876E+01 H1 4355 1.008000 0.423800 4.0082E+00 -1.0013E+01 1.4780E+01 H2 4356 1.008000 0.423800 4.8877E+00 -9.7288E+00 1.3434E+01 O6 4357 15.999400 -0.847600 7.1804E+00 -5.3401E+00 1.4865E+01 H1 4358 1.008000 0.423800 8.0430E+00 -5.0871E+00 1.5303E+01 H2 4359 1.008000 0.423800 6.8389E+00 -6.1895E+00 1.5268E+01 O6 4360 15.999400 -0.847600 5.3206E+00 -4.5394E+00 -1.0883E+01 H1 4361 1.008000 0.423800 5.9852E+00 -4.7855E+00 -1.1588E+01 H2 4362 1.008000 0.423800 4.9005E+00 -5.3696E+00 -1.0516E+01 O6 4363 15.999400 -0.847600 -1.9022E+01 1.3976E+01 1.2818E+01 H1 4364 1.008000 0.423800 -1.9172E+01 1.4898E+01 1.3174E+01 H2 4365 1.008000 0.423800 1.9533E+01 1.3847E+01 1.1988E+01 O6 4366 15.999400 -0.847600 2.6308E+00 -6.0216E+00 8.4507E+00 H1 4367 1.008000 0.423800 3.5992E+00 -5.8398E+00 8.6215E+00 H2 4368 1.008000 0.423800 2.1493E+00 -6.1094E+00 9.3227E+00 O6 4369 15.999400 -0.847600 -1.8391E+01 -1.2636E+01 3.3538E+00 H1 4370 1.008000 0.423800 -1.8017E+01 -1.2643E+01 2.4265E+00 H2 4371 1.008000 0.423800 -1.8472E+01 -1.3575E+01 3.6882E+00 O6 4372 15.999400 -0.847600 -1.4456E+00 -1.5373E+00 -1.7629E+01 H1 4373 1.008000 0.423800 -1.2585E+00 -1.4132E+00 -1.6654E+01 H2 4374 1.008000 0.423800 -7.7526E-01 -1.0241E+00 -1.8165E+01 O6 4375 15.999400 -0.847600 -1.2541E+01 -8.0998E+00 -1.7942E+00 H1 4376 1.008000 0.423800 -1.2851E+01 -8.8889E+00 -1.2639E+00 H2 4377 1.008000 0.423800 -1.2844E+01 -7.2581E+00 -1.3472E+00 O6 4378 15.999400 -0.847600 1.0787E+00 3.2098E+00 -1.0308E+01 H1 4379 1.008000 0.423800 9.8568E-02 3.2653E+00 -1.0118E+01 H2 4380 1.008000 0.423800 1.2854E+00 3.7210E+00 -1.1143E+01 O6 4381 15.999400 -0.847600 1.3503E+01 -7.5838E+00 9.1158E+00 H1 4382 1.008000 0.423800 1.2764E+01 -7.2722E+00 9.7130E+00 H2 4383 1.008000 0.423800 1.3279E+01 -8.4880E+00 8.7521E+00 O6 4384 15.999400 -0.847600 1.4668E+01 1.6413E+01 -4.3389E+00 H1 4385 1.008000 0.423800 1.4819E+01 1.6199E+01 -5.3040E+00 H2 4386 1.008000 0.423800 1.5000E+01 1.7337E+01 -4.1465E+00 O6 4387 15.999400 -0.847600 -1.1149E+00 -6.6413E+00 -1.5745E+00 H1 4388 1.008000 0.423800 -6.3091E-01 -5.8715E+00 -1.9907E+00 H2 4389 1.008000 0.423800 -1.0457E+00 -6.5794E+00 -5.7882E-01 O6 4390 15.999400 -0.847600 1.6519E+01 9.4702E+00 -1.6731E+01 H1 4391 1.008000 0.423800 1.7304E+01 9.1294E+00 -1.6214E+01 H2 4392 1.008000 0.423800 1.6821E+01 1.0188E+01 -1.7359E+01 O6 4393 15.999400 -0.847600 -9.2227E+00 1.1549E+01 8.4938E+00 H1 4394 1.008000 0.423800 -8.7695E+00 1.0794E+01 8.0195E+00 H2 4395 1.008000 0.423800 -9.5132E+00 1.2235E+01 7.8270E+00 O6 4396 15.999400 -0.847600 -3.2127E+00 -3.1295E+00 1.0301E+01 H1 4397 1.008000 0.423800 -2.4539E+00 -3.5116E+00 1.0829E+01 H2 4398 1.008000 0.423800 -3.8081E+00 -2.6024E+00 1.0907E+01 O6 4399 15.999400 -0.847600 1.5967E+01 1.7486E+01 -7.2470E+00 H1 4400 1.008000 0.423800 1.6456E+01 1.7877E+01 -8.0267E+00 H2 4401 1.008000 0.423800 1.4982E+01 1.7526E+01 -7.4162E+00 O6 4402 15.999400 -0.847600 9.4715E+00 -1.0959E+01 4.6301E+00 H1 4403 1.008000 0.423800 8.6873E+00 -1.1563E+01 4.4862E+00 H2 4404 1.008000 0.423800 9.2513E+00 -1.0290E+01 5.3401E+00 O6 4405 15.999400 -0.847600 -4.8654E+00 -4.1975E+00 8.5769E+00 H1 4406 1.008000 0.423800 -4.9645E+00 -3.5360E+00 7.8335E+00 H2 4407 1.008000 0.423800 -4.1788E+00 -3.8694E+00 9.2257E+00 O6 4408 15.999400 -0.847600 1.3647E+01 -1.2594E+01 -1.5340E+01 H1 4409 1.008000 0.423800 1.3288E+01 -1.3344E+01 -1.5895E+01 H2 4410 1.008000 0.423800 1.4593E+01 -1.2791E+01 -1.5085E+01 O6 4411 15.999400 -0.847600 -9.5242E+00 -7.5867E+00 -9.3232E+00 H1 4412 1.008000 0.423800 -8.5734E+00 -7.6392E+00 -9.0177E+00 H2 4413 1.008000 0.423800 -1.0072E+01 -8.2604E+00 -8.8267E+00 O6 4414 15.999400 -0.847600 1.4447E+00 6.8035E+00 -1.0067E+01 H1 4415 1.008000 0.423800 2.3123E+00 6.7967E+00 -9.5698E+00 H2 4416 1.008000 0.423800 1.1357E+00 7.7471E+00 -1.0185E+01 O6 4417 15.999400 -0.847600 -1.4554E+01 -8.4870E+00 1.7329E+01 H1 4418 1.008000 0.423800 -1.4045E+01 -9.1975E+00 1.7815E+01 H2 4419 1.008000 0.423800 -1.3912E+01 -7.8736E+00 1.6869E+01 O6 4420 15.999400 -0.847600 -3.4615E+00 -1.9410E+01 1.7094E+01 H1 4421 1.008000 0.423800 -4.2155E+00 1.9398E+01 1.7684E+01 H2 4422 1.008000 0.423800 -3.7562E+00 -1.8639E+01 1.6530E+01 O6 4423 15.999400 -0.847600 1.0990E+00 -2.9056E+00 2.3205E+00 H1 4424 1.008000 0.423800 5.1992E-01 -2.6148E+00 3.0822E+00 H2 4425 1.008000 0.423800 1.6737E+00 -3.6703E+00 2.6117E+00 O6 4426 15.999400 -0.847600 4.5742E+00 -3.6199E+00 -8.3104E+00 H1 4427 1.008000 0.423800 4.6042E+00 -3.9273E+00 -9.2615E+00 H2 4428 1.008000 0.423800 5.2950E+00 -2.9443E+00 -8.1556E+00 O6 4429 15.999400 -0.847600 -1.1880E+01 -1.0701E+01 -1.7611E+01 H1 4430 1.008000 0.423800 -1.2710E+01 -1.0986E+01 -1.7131E+01 H2 4431 1.008000 0.423800 -1.1085E+01 -1.1140E+01 -1.7191E+01 O6 4432 15.999400 -0.847600 -1.5812E+01 -9.8664E+00 -1.6187E+01 H1 4433 1.008000 0.423800 -1.5726E+01 -9.9422E+00 -1.5193E+01 H2 4434 1.008000 0.423800 -1.6260E+01 -1.0685E+01 -1.6546E+01 O6 4435 15.999400 -0.847600 -7.3192E+00 -9.9373E+00 -6.3028E+00 H1 4436 1.008000 0.423800 -6.5278E+00 -9.7702E+00 -5.7147E+00 H2 4437 1.008000 0.423800 -7.6711E+00 -1.0858E+01 -6.1343E+00 O6 4438 15.999400 -0.847600 -1.0141E+01 1.1367E+01 1.8549E+01 H1 4439 1.008000 0.423800 -1.0201E+01 1.1065E+01 1.7597E+01 H2 4440 1.008000 0.423800 -9.2969E+00 1.1886E+01 1.8682E+01 O6 4441 15.999400 -0.847600 1.7297E+01 1.4691E+01 -1.8897E+01 H1 4442 1.008000 0.423800 1.6671E+01 1.4339E+01 -1.8200E+01 H2 4443 1.008000 0.423800 1.7119E+01 1.4231E+01 1.9330E+01 O6 4444 15.999400 -0.847600 4.0504E+00 1.2886E+01 1.4764E+01 H1 4445 1.008000 0.423800 3.5877E+00 1.2798E+01 1.3881E+01 H2 4446 1.008000 0.423800 4.7950E+00 1.2220E+01 1.4817E+01 O6 4447 15.999400 -0.847600 -1.9048E+00 -4.2101E-01 1.3533E+01 H1 4448 1.008000 0.423800 -1.1728E+00 -1.0995E+00 1.3595E+01 H2 4449 1.008000 0.423800 -2.7898E+00 -8.8622E-01 1.3516E+01 O6 4450 15.999400 -0.847600 -8.8100E-01 1.8168E+01 3.2594E+00 H1 4451 1.008000 0.423800 -1.2837E+00 1.7820E+01 2.4126E+00 H2 4452 1.008000 0.423800 -3.5872E-02 1.8659E+01 3.0492E+00 O6 4453 15.999400 -0.847600 -1.2916E+00 -1.0913E+01 3.2192E+00 H1 4454 1.008000 0.423800 -1.9779E+00 -1.0397E+01 3.7313E+00 H2 4455 1.008000 0.423800 -4.5658E-01 -1.0369E+01 3.1385E+00 O6 4456 15.999400 -0.847600 1.1887E+01 1.3215E+01 -1.7071E+01 H1 4457 1.008000 0.423800 1.0930E+01 1.2924E+01 -1.7081E+01 H2 4458 1.008000 0.423800 1.2213E+01 1.3255E+01 -1.6126E+01 O6 4459 15.999400 -0.847600 -1.1512E+01 -1.5369E+01 1.6816E+01 H1 4460 1.008000 0.423800 -1.0613E+01 -1.5076E+01 1.7142E+01 H2 4461 1.008000 0.423800 -1.1498E+01 -1.5440E+01 1.5818E+01 O6 4462 15.999400 -0.847600 -1.7377E+01 7.8463E+00 -2.2433E+00 H1 4463 1.008000 0.423800 -1.6856E+01 7.4436E+00 -2.9962E+00 H2 4464 1.008000 0.423800 -1.6972E+01 7.5688E+00 -1.3721E+00 O6 4465 15.999400 -0.847600 6.2073E+00 1.4900E+01 -3.6295E+00 H1 4466 1.008000 0.423800 6.4927E+00 1.3977E+01 -3.8858E+00 H2 4467 1.008000 0.423800 7.0075E+00 1.5499E+01 -3.5957E+00 O6 4468 15.999400 -0.847600 -4.0576E+00 -7.1430E+00 1.7176E+01 H1 4469 1.008000 0.423800 -4.2747E+00 -7.4058E+00 1.6236E+01 H2 4470 1.008000 0.423800 -3.9369E+00 -6.1515E+00 1.7226E+01 O6 4471 15.999400 -0.847600 7.6818E+00 6.4625E+00 -7.8530E+00 H1 4472 1.008000 0.423800 7.2992E+00 6.8136E+00 -6.9983E+00 H2 4473 1.008000 0.423800 7.6698E+00 5.4627E+00 -7.8376E+00 O6 4474 15.999400 -0.847600 -1.8454E+01 -9.6829E+00 -5.9967E+00 H1 4475 1.008000 0.423800 -1.8200E+01 -1.0136E+01 -5.1424E+00 H2 4476 1.008000 0.423800 -1.8119E+01 -1.0219E+01 -6.7712E+00 O6 4477 15.999400 -0.847600 -1.8734E+01 -1.6038E+01 -1.6766E+01 H1 4478 1.008000 0.423800 1.9444E+01 -1.5905E+01 -1.7135E+01 H2 4479 1.008000 0.423800 -1.8304E+01 -1.5148E+01 -1.6614E+01 O6 4480 15.999400 -0.847600 1.9145E+00 -4.2265E+00 -1.5981E+00 H1 4481 1.008000 0.423800 2.3024E+00 -3.3632E+00 -1.2752E+00 H2 4482 1.008000 0.423800 9.2526E-01 -4.1278E+00 -1.7058E+00 O6 4483 15.999400 -0.847600 1.7010E+01 1.3182E+01 1.7801E+01 H1 4484 1.008000 0.423800 1.6218E+01 1.3691E+01 1.7464E+01 H2 4485 1.008000 0.423800 1.7394E+01 1.2634E+01 1.7058E+01 O6 4486 15.999400 -0.847600 -3.7298E+00 -1.2331E+01 1.1708E+01 H1 4487 1.008000 0.423800 -4.4599E+00 -1.2697E+01 1.2286E+01 H2 4488 1.008000 0.423800 -3.4529E+00 -1.1433E+01 1.2051E+01 O6 4489 15.999400 -0.847600 1.9253E+01 -1.1261E+01 1.8548E+01 H1 4490 1.008000 0.423800 -1.9053E+01 -1.0859E+01 1.8087E+01 H2 4491 1.008000 0.423800 1.8475E+01 -1.0637E+01 1.8479E+01 O6 4492 15.999400 -0.847600 -1.6416E+01 -1.6014E+01 1.5508E+01 H1 4493 1.008000 0.423800 -1.5595E+01 -1.6249E+01 1.6030E+01 H2 4494 1.008000 0.423800 -1.7138E+01 -1.5726E+01 1.6137E+01 O6 4495 15.999400 -0.847600 5.8560E+00 7.0671E+00 -9.9175E+00 H1 4496 1.008000 0.423800 6.3420E+00 6.8747E+00 -1.0770E+01 H2 4497 1.008000 0.423800 6.4557E+00 6.8740E+00 -9.1410E+00 O6 4498 15.999400 -0.847600 -5.4998E+00 1.1927E+01 -3.6748E+00 H1 4499 1.008000 0.423800 -5.0937E+00 1.2122E+01 -4.5675E+00 H2 4500 1.008000 0.423800 -6.4502E+00 1.1640E+01 -3.7965E+00 O6 4501 15.999400 -0.847600 8.2107E-01 -4.6410E+00 -7.9395E+00 H1 4502 1.008000 0.423800 4.1608E-01 -4.9852E+00 -7.0924E+00 H2 4503 1.008000 0.423800 5.0752E-01 -3.7056E+00 -8.1027E+00 O6 4504 15.999400 -0.847600 1.5810E+01 8.1163E+00 1.3844E+01 H1 4505 1.008000 0.423800 1.5193E+01 7.6008E+00 1.4438E+01 H2 4506 1.008000 0.423800 1.6059E+01 8.9770E+00 1.4288E+01 O6 4507 15.999400 -0.847600 -1.5614E+01 -2.0267E+00 -1.7606E+01 H1 4508 1.008000 0.423800 -1.4760E+01 -2.3982E+00 -1.7244E+01 H2 4509 1.008000 0.423800 -1.5553E+01 -1.0296E+00 -1.7649E+01 O6 4510 15.999400 -0.847600 -1.3292E+01 -1.1109E+01 -1.6633E+00 H1 4511 1.008000 0.423800 -1.2798E+01 -1.1897E+01 -1.2947E+00 H2 4512 1.008000 0.423800 -1.3587E+01 -1.1308E+01 -2.5977E+00 O6 4513 15.999400 -0.847600 1.8973E+01 -5.2751E+00 -1.3004E+01 H1 4514 1.008000 0.423800 1.9530E+01 -6.0972E+00 -1.3124E+01 H2 4515 1.008000 0.423800 1.9145E+01 -4.8850E+00 -1.2100E+01 O6 4516 15.999400 -0.847600 -1.6392E+01 1.1456E+00 1.3051E+01 H1 4517 1.008000 0.423800 -1.7266E+01 1.5682E+00 1.3291E+01 H2 4518 1.008000 0.423800 -1.5664E+01 1.5505E+00 1.3603E+01 O6 4519 15.999400 -0.847600 6.3081E+00 1.7401E+01 -7.6833E+00 H1 4520 1.008000 0.423800 6.9797E+00 1.6774E+01 -7.2887E+00 H2 4521 1.008000 0.423800 5.8061E+00 1.7857E+01 -6.9486E+00 O6 4522 15.999400 -0.847600 -1.8817E+01 -1.7929E+01 -9.8821E+00 H1 4523 1.008000 0.423800 -1.8048E+01 -1.7865E+01 -9.2466E+00 H2 4524 1.008000 0.423800 -1.8584E+01 -1.8557E+01 -1.0625E+01 O6 4525 15.999400 -0.847600 1.1673E+01 4.1343E+00 1.7073E+00 H1 4526 1.008000 0.423800 1.0745E+01 3.8781E+00 1.9767E+00 H2 4527 1.008000 0.423800 1.1647E+01 4.9973E+00 1.2026E+00 O6 4528 15.999400 -0.847600 -1.3863E+01 -1.4815E+01 -2.5441E+00 H1 4529 1.008000 0.423800 -1.3855E+01 -1.5053E+01 -3.5153E+00 H2 4530 1.008000 0.423800 -1.4799E+01 -1.4606E+01 -2.2602E+00 O6 4531 15.999400 -0.847600 -1.5388E+01 -6.8878E+00 1.3681E+01 H1 4532 1.008000 0.423800 -1.5976E+01 -6.2672E+00 1.3162E+01 H2 4533 1.008000 0.423800 -1.5881E+01 -7.2175E+00 1.4486E+01 O6 4534 15.999400 -0.847600 -8.9605E+00 -1.3633E+01 -1.7087E+01 H1 4535 1.008000 0.423800 -9.2500E+00 -1.2693E+01 -1.7269E+01 H2 4536 1.008000 0.423800 -8.4920E+00 -1.3999E+01 -1.7891E+01 O6 4537 15.999400 -0.847600 1.7872E+01 4.8755E+00 1.8391E+01 H1 4538 1.008000 0.423800 1.8580E+01 5.1580E+00 1.9037E+01 H2 4539 1.008000 0.423800 1.7756E+01 3.8833E+00 1.8436E+01 O6 4540 15.999400 -0.847600 -9.3996E+00 -9.3092E+00 -1.9491E+01 H1 4541 1.008000 0.423800 -9.1055E+00 -8.3571E+00 -1.9407E+01 H2 4542 1.008000 0.423800 -1.0238E+01 -9.3521E+00 1.9063E+01 O6 4543 15.999400 -0.847600 -1.4124E+01 1.3245E+01 -1.1101E+01 H1 4544 1.008000 0.423800 -1.3165E+01 1.3002E+01 -1.0956E+01 H2 4545 1.008000 0.423800 -1.4205E+01 1.4237E+01 -1.1199E+01 O6 4546 15.999400 -0.847600 -1.0538E+01 -9.9193E+00 -8.0508E+00 H1 4547 1.008000 0.423800 -1.1536E+01 -9.8786E+00 -8.1028E+00 H2 4548 1.008000 0.423800 -1.0264E+01 -1.0218E+01 -7.1367E+00 O6 4549 15.999400 -0.847600 9.0300E+00 1.9171E+01 -1.7947E+01 H1 4550 1.008000 0.423800 9.0954E+00 -1.9005E+01 -1.8331E+01 H2 4551 1.008000 0.423800 9.9413E+00 1.8854E+01 -1.7685E+01 O6 4552 15.999400 -0.847600 -6.1445E+00 1.6232E+00 6.6244E+00 H1 4553 1.008000 0.423800 -6.6893E+00 2.3149E+00 7.0985E+00 H2 4554 1.008000 0.423800 -5.2972E+00 2.0370E+00 6.2916E+00 O6 4555 15.999400 -0.847600 5.9350E+00 1.0886E+01 1.4925E+01 H1 4556 1.008000 0.423800 6.7354E+00 1.1269E+01 1.5385E+01 H2 4557 1.008000 0.423800 6.2326E+00 1.0316E+01 1.4159E+01 O6 4558 15.999400 -0.847600 -1.0577E+01 -1.6655E+01 1.0526E+01 H1 4559 1.008000 0.423800 -1.0618E+01 -1.6635E+01 9.5270E+00 H2 4560 1.008000 0.423800 -9.8835E+00 -1.7315E+01 1.0817E+01 O6 4561 15.999400 -0.847600 -8.1550E+00 -6.6000E+00 -1.9211E+01 H1 4562 1.008000 0.423800 -8.5847E+00 -6.6032E+00 1.8983E+01 H2 4563 1.008000 0.423800 -8.8285E+00 -6.3310E+00 -1.8523E+01 O6 4564 15.999400 -0.847600 4.6632E+00 8.3169E+00 -3.4663E+00 H1 4565 1.008000 0.423800 4.6241E+00 8.5548E+00 -4.4369E+00 H2 4566 1.008000 0.423800 3.7420E+00 8.1108E+00 -3.1364E+00 O6 4567 15.999400 -0.847600 4.9032E+00 -9.7034E+00 -1.1800E+01 H1 4568 1.008000 0.423800 4.9023E+00 -1.0337E+01 -1.2574E+01 H2 4569 1.008000 0.423800 3.9902E+00 -9.6732E+00 -1.1393E+01 O6 4570 15.999400 -0.847600 -2.8197E+00 1.4391E+01 -1.7197E+01 H1 4571 1.008000 0.423800 -3.7240E+00 1.4425E+01 -1.6772E+01 H2 4572 1.008000 0.423800 -2.8406E+00 1.3761E+01 -1.7974E+01 O6 4573 15.999400 -0.847600 1.6396E+01 2.1256E+00 -9.1084E+00 H1 4574 1.008000 0.423800 1.6669E+01 2.7293E+00 -8.3592E+00 H2 4575 1.008000 0.423800 1.5553E+01 1.6475E+00 -8.8610E+00 O6 4576 15.999400 -0.847600 -3.4616E+00 7.5259E+00 -1.8585E+01 H1 4577 1.008000 0.423800 -2.8157E+00 7.4707E+00 -1.7824E+01 H2 4578 1.008000 0.423800 -4.2999E+00 7.0352E+00 -1.8347E+01 O6 4579 15.999400 -0.847600 -1.5658E+01 -1.8510E+01 -4.8665E-01 H1 4580 1.008000 0.423800 -1.6462E+01 -1.7962E+01 -7.1796E-01 H2 4581 1.008000 0.423800 -1.4900E+01 -1.8261E+01 -1.0894E+00 O6 4582 15.999400 -0.847600 -7.5408E+00 -1.7642E+01 1.2482E+01 H1 4583 1.008000 0.423800 -7.7642E+00 -1.6668E+01 1.2518E+01 H2 4584 1.008000 0.423800 -7.9475E+00 -1.8048E+01 1.1664E+01 O6 4585 15.999400 -0.847600 -6.2369E-01 7.2169E+00 -4.6813E+00 H1 4586 1.008000 0.423800 -6.2242E-01 7.4695E+00 -3.7137E+00 H2 4587 1.008000 0.423800 -9.3558E-01 6.2718E+00 -4.7786E+00 O6 4588 15.999400 -0.847600 -1.3839E+01 1.5655E+01 1.0663E+01 H1 4589 1.008000 0.423800 -1.3532E+01 1.5552E+01 1.1609E+01 H2 4590 1.008000 0.423800 -1.4512E+01 1.4946E+01 1.0451E+01 O6 4591 15.999400 -0.847600 -1.1952E+01 -2.4400E+00 -1.0564E+01 H1 4592 1.008000 0.423800 -1.2484E+01 -2.2658E+00 -9.7352E+00 H2 4593 1.008000 0.423800 -1.2110E+01 -1.7039E+00 -1.1222E+01 O6 4594 15.999400 -0.847600 -2.2846E-02 -1.1044E+01 -1.3505E+01 H1 4595 1.008000 0.423800 4.2570E-01 -1.1181E+01 -1.2621E+01 H2 4596 1.008000 0.423800 -3.8767E-01 -1.0115E+01 -1.3554E+01 O6 4597 15.999400 -0.847600 9.3324E+00 1.1948E+01 1.8127E+01 H1 4598 1.008000 0.423800 9.4862E+00 1.1398E+01 1.7306E+01 H2 4599 1.008000 0.423800 9.9865E+00 1.2705E+01 1.8149E+01 O6 4600 15.999400 -0.847600 -1.8024E+01 -1.4112E+01 -7.3272E+00 H1 4601 1.008000 0.423800 -1.8019E+01 -1.3233E+01 -7.8036E+00 H2 4602 1.008000 0.423800 -1.8813E+01 -1.4649E+01 -7.6271E+00 O6 4603 15.999400 -0.847600 1.8823E+01 -6.5509E+00 2.1362E+00 H1 4604 1.008000 0.423800 1.8734E+01 -6.0627E+00 1.2679E+00 H2 4605 1.008000 0.423800 -1.9504E+01 -6.1766E+00 2.6521E+00 O6 4606 15.999400 -0.847600 -1.4611E+01 1.3385E+01 -1.8783E+01 H1 4607 1.008000 0.423800 -1.3827E+01 1.3103E+01 -1.9337E+01 H2 4608 1.008000 0.423800 -1.5264E+01 1.2630E+01 -1.8721E+01 O6 4609 15.999400 -0.847600 -2.3562E+00 -7.4858E+00 -1.8361E+01 H1 4610 1.008000 0.423800 -2.6960E+00 -6.5618E+00 -1.8185E+01 H2 4611 1.008000 0.423800 -3.0540E+00 -8.0103E+00 -1.8849E+01 O6 4612 15.999400 -0.847600 7.6473E+00 -6.6255E-02 -6.4264E+00 H1 4613 1.008000 0.423800 7.3120E+00 8.1617E-01 -6.0962E+00 H2 4614 1.008000 0.423800 8.6434E+00 -9.6128E-02 -6.3444E+00 O6 4615 15.999400 -0.847600 -5.0625E+00 3.1912E+00 1.6752E+01 H1 4616 1.008000 0.423800 -5.2245E+00 3.9978E+00 1.7321E+01 H2 4617 1.008000 0.423800 -5.4130E+00 3.3573E+00 1.5831E+01 O6 4618 15.999400 -0.847600 3.0388E+00 -2.3506E+00 1.7428E+01 H1 4619 1.008000 0.423800 2.8310E+00 -3.1954E+00 1.6935E+01 H2 4620 1.008000 0.423800 2.3854E+00 -1.6412E+00 1.7164E+01 O6 4621 15.999400 -0.847600 3.6390E+00 4.5988E+00 -1.6845E+01 H1 4622 1.008000 0.423800 3.6964E+00 5.5971E+00 -1.6863E+01 H2 4623 1.008000 0.423800 2.6789E+00 4.3207E+00 -1.6818E+01 O6 4624 15.999400 -0.847600 -4.9353E+00 -1.4667E+00 -1.5069E+01 H1 4625 1.008000 0.423800 -4.5896E+00 -9.0168E-01 -1.4319E+01 H2 4626 1.008000 0.423800 -4.3896E+00 -2.3020E+00 -1.5135E+01 O6 4627 15.999400 -0.847600 1.4291E+01 -9.3880E+00 1.1918E+01 H1 4628 1.008000 0.423800 1.4196E+01 -9.7018E+00 1.0974E+01 H2 4629 1.008000 0.423800 1.4988E+01 -9.9345E+00 1.2382E+01 O6 4630 15.999400 -0.847600 1.2764E+01 -1.2732E+01 -4.5710E+00 H1 4631 1.008000 0.423800 1.3631E+01 -1.2321E+01 -4.2908E+00 H2 4632 1.008000 0.423800 1.2348E+01 -1.2176E+01 -5.2901E+00 O6 4633 15.999400 -0.847600 9.6289E+00 -9.0224E+00 -1.1651E+00 H1 4634 1.008000 0.423800 1.0342E+01 -9.2616E+00 -5.0659E-01 H2 4635 1.008000 0.423800 9.2170E+00 -9.8580E+00 -1.5285E+00 O6 4636 15.999400 -0.847600 1.4043E+01 1.9002E+01 9.4755E+00 H1 4637 1.008000 0.423800 1.3159E+01 1.9018E+01 9.9433E+00 H2 4638 1.008000 0.423800 1.4578E+01 1.8223E+01 9.8024E+00 O6 4639 15.999400 -0.847600 -1.8585E+01 -8.2690E+00 5.6858E+00 H1 4640 1.008000 0.423800 -1.8084E+01 -7.4045E+00 5.6426E+00 H2 4641 1.008000 0.423800 -1.8330E+01 -8.8410E+00 4.9060E+00 O6 4642 15.999400 -0.847600 7.8156E+00 1.6878E+01 -1.2839E+01 H1 4643 1.008000 0.423800 7.1347E+00 1.6410E+01 -1.2276E+01 H2 4644 1.008000 0.423800 8.2365E+00 1.6223E+01 -1.3467E+01 O6 4645 15.999400 -0.847600 -1.6051E-01 1.9408E+01 -5.5158E+00 H1 4646 1.008000 0.423800 6.4031E-01 1.9189E+01 -6.0732E+00 H2 4647 1.008000 0.423800 -9.5784E-01 1.9523E+01 -6.1083E+00 O6 4648 15.999400 -0.847600 -1.2127E+01 1.9040E+01 1.1967E+01 H1 4649 1.008000 0.423800 -1.2279E+01 1.9257E+01 1.2932E+01 H2 4650 1.008000 0.423800 -1.2740E+01 1.8300E+01 1.1691E+01 O6 4651 15.999400 -0.847600 -1.3149E+01 -1.0179E+01 1.4153E+01 H1 4652 1.008000 0.423800 -1.2404E+01 -1.0839E+01 1.4249E+01 H2 4653 1.008000 0.423800 -1.2795E+01 -9.2544E+00 1.4296E+01 O6 4654 15.999400 -0.847600 -5.6246E+00 6.2844E+00 7.9303E+00 H1 4655 1.008000 0.423800 -6.0217E+00 7.0145E+00 8.4865E+00 H2 4656 1.008000 0.423800 -4.6368E+00 6.2498E+00 8.0820E+00 O6 4657 15.999400 -0.847600 -8.8687E+00 1.0330E+01 -7.3764E+00 H1 4658 1.008000 0.423800 -9.6655E+00 1.0240E+01 -6.7789E+00 H2 4659 1.008000 0.423800 -9.0324E+00 9.8302E+00 -8.2271E+00 O6 4660 15.999400 -0.847600 9.6834E+00 1.7898E+01 -1.0967E+01 H1 4661 1.008000 0.423800 1.0151E+01 1.8781E+01 -1.0933E+01 H2 4662 1.008000 0.423800 9.1589E+00 1.7830E+01 -1.1815E+01 O6 4663 15.999400 -0.847600 1.1068E+01 -1.7655E+01 6.9567E+00 H1 4664 1.008000 0.423800 1.1028E+01 -1.7997E+01 6.0178E+00 H2 4665 1.008000 0.423800 1.1581E+01 -1.6797E+01 6.9772E+00 O6 4666 15.999400 -0.847600 -8.0764E+00 -1.6484E+01 -3.8132E+00 H1 4667 1.008000 0.423800 -7.3721E+00 -1.6367E+01 -4.5133E+00 H2 4668 1.008000 0.423800 -7.6425E+00 -1.6672E+01 -2.9322E+00 O6 4669 15.999400 -0.847600 1.6365E+01 -1.8324E+01 7.6580E+00 H1 4670 1.008000 0.423800 1.6500E+01 -1.7691E+01 6.8954E+00 H2 4671 1.008000 0.423800 1.5408E+01 -1.8297E+01 7.9474E+00 O6 4672 15.999400 -0.847600 -3.8826E+00 2.8902E+00 5.7090E+00 H1 4673 1.008000 0.423800 -3.1087E+00 3.1408E+00 6.2908E+00 H2 4674 1.008000 0.423800 -4.0384E+00 3.6106E+00 5.0332E+00 O6 4675 15.999400 -0.847600 1.9014E+01 -1.3622E+01 -1.9199E+01 H1 4676 1.008000 0.423800 -1.9103E+01 -1.3788E+01 -1.9095E+01 H2 4677 1.008000 0.423800 1.8872E+01 -1.2769E+01 1.9397E+01 O6 4678 15.999400 -0.847600 -3.5087E+00 -4.5986E+00 1.7642E+01 H1 4679 1.008000 0.423800 -3.6194E+00 -3.7082E+00 1.7200E+01 H2 4680 1.008000 0.423800 -2.5622E+00 -4.9052E+00 1.7541E+01 O6 4681 15.999400 -0.847600 1.9020E+01 6.5996E+00 -4.9810E+00 H1 4682 1.008000 0.423800 1.9381E+01 7.4058E+00 -4.5122E+00 H2 4683 1.008000 0.423800 1.9058E+01 6.7441E+00 -5.9698E+00 O6 4684 15.999400 -0.847600 -2.7264E+00 2.3115E+00 -1.6083E+00 H1 4685 1.008000 0.423800 -2.9211E+00 2.1888E+00 -6.3510E-01 H2 4686 1.008000 0.423800 -1.7777E+00 2.6060E+00 -1.7238E+00 O6 4687 15.999400 -0.847600 1.4998E+01 -8.3516E+00 1.4605E-01 H1 4688 1.008000 0.423800 1.5852E+01 -8.6316E+00 5.8431E-01 H2 4689 1.008000 0.423800 1.4372E+01 -7.9901E+00 8.3688E-01 O6 4690 15.999400 -0.847600 1.7544E+01 -4.0203E+00 1.1683E+01 H1 4691 1.008000 0.423800 1.6898E+01 -4.7734E+00 1.1809E+01 H2 4692 1.008000 0.423800 1.8158E+01 -4.2315E+00 1.0922E+01 O6 4693 15.999400 -0.847600 1.1505E+00 3.6415E+00 -1.6851E+01 H1 4694 1.008000 0.423800 1.1575E+00 3.3097E+00 -1.7794E+01 H2 4695 1.008000 0.423800 5.2198E-01 3.0857E+00 -1.6307E+01 O6 4696 15.999400 -0.847600 -1.9187E+01 1.8309E+01 -1.7632E+01 H1 4697 1.008000 0.423800 -1.8933E+01 1.7836E+01 -1.6789E+01 H2 4698 1.008000 0.423800 -1.8450E+01 1.8213E+01 -1.8302E+01 O6 4699 15.999400 -0.847600 -9.5534E+00 -1.3601E+01 -9.4828E+00 H1 4700 1.008000 0.423800 -9.0957E+00 -1.4270E+01 -1.0069E+01 H2 4701 1.008000 0.423800 -9.0931E+00 -1.2717E+01 -9.5633E+00 O6 4702 15.999400 -0.847600 -1.8716E+01 5.7474E+00 -1.5152E+01 H1 4703 1.008000 0.423800 -1.9201E+01 5.4997E+00 -1.4313E+01 H2 4704 1.008000 0.423800 -1.9253E+01 6.4203E+00 -1.5661E+01 O6 4705 15.999400 -0.847600 1.7359E+01 -6.7554E+00 1.6634E+01 H1 4706 1.008000 0.423800 1.7383E+01 -7.2704E+00 1.5778E+01 H2 4707 1.008000 0.423800 1.8158E+01 -6.1561E+00 1.6685E+01 O6 4708 15.999400 -0.847600 -1.1532E+01 1.1568E+01 -1.0241E+00 H1 4709 1.008000 0.423800 -1.0955E+01 1.1081E+01 -3.6805E-01 H2 4710 1.008000 0.423800 -1.2491E+01 1.1330E+01 -8.6553E-01 O6 4711 15.999400 -0.847600 3.3088E+00 1.9049E+01 1.1968E-01 H1 4712 1.008000 0.423800 2.4782E+00 1.9531E+01 -1.5892E-01 H2 4713 1.008000 0.423800 4.0114E+00 1.9162E+01 -5.8278E-01 O6 4714 15.999400 -0.847600 -1.8565E+01 3.0951E+00 6.2965E+00 H1 4715 1.008000 0.423800 -1.7737E+01 3.0646E+00 5.7373E+00 H2 4716 1.008000 0.423800 -1.9363E+01 2.9214E+00 5.7196E+00 O6 4717 15.999400 -0.847600 -9.1522E-01 1.4378E+01 1.8510E+01 H1 4718 1.008000 0.423800 -3.3646E-01 1.4088E+01 1.7748E+01 H2 4719 1.008000 0.423800 -3.6615E-01 1.4431E+01 1.9344E+01 O6 4720 15.999400 -0.847600 -1.5695E+01 6.3124E-01 -1.0936E+01 H1 4721 1.008000 0.423800 -1.5661E+01 1.2302E+00 -1.1736E+01 H2 4722 1.008000 0.423800 -1.5574E+01 -3.1833E-01 -1.1225E+01 O6 4723 15.999400 -0.847600 -1.5731E+01 1.4033E+01 8.2393E+00 H1 4724 1.008000 0.423800 -1.6412E+01 1.3514E+01 7.7233E+00 H2 4725 1.008000 0.423800 -1.5060E+01 1.4422E+01 7.6080E+00 O6 4726 15.999400 -0.847600 -1.6346E+01 -1.9266E+01 1.1275E+01 H1 4727 1.008000 0.423800 -1.7306E+01 -1.9543E+01 1.1305E+01 H2 4728 1.008000 0.423800 -1.5976E+01 -1.9243E+01 1.2204E+01 O6 4729 15.999400 -0.847600 -7.0990E+00 -7.5582E+00 1.2276E+01 H1 4730 1.008000 0.423800 -6.6260E+00 -6.7152E+00 1.2020E+01 H2 4731 1.008000 0.423800 -7.0615E+00 -8.2059E+00 1.1515E+01 O6 4732 15.999400 -0.847600 -1.9241E+01 6.4607E+00 -9.9906E+00 H1 4733 1.008000 0.423800 -1.8769E+01 5.6383E+00 -9.6724E+00 H2 4734 1.008000 0.423800 1.9220E+01 6.7733E+00 -9.2858E+00 O6 4735 15.999400 -0.847600 1.3905E+01 -1.6854E+00 9.9758E+00 H1 4736 1.008000 0.423800 1.3520E+01 -9.9101E-01 9.3677E+00 H2 4737 1.008000 0.423800 1.3861E+01 -1.3620E+00 1.0921E+01 O6 4738 15.999400 -0.847600 -4.8302E-01 -1.2724E+01 6.2073E+00 H1 4739 1.008000 0.423800 -4.9471E-01 -1.3353E+01 6.9845E+00 H2 4740 1.008000 0.423800 -2.9243E-01 -1.3234E+01 5.3685E+00 O6 4741 15.999400 -0.847600 1.1357E+01 1.2718E+01 -8.0817E+00 H1 4742 1.008000 0.423800 1.1877E+01 1.2291E+01 -8.8214E+00 H2 4743 1.008000 0.423800 1.1979E+01 1.3223E+01 -7.4843E+00 O6 4744 15.999400 -0.847600 1.5152E+01 -1.2137E+01 -3.1299E+00 H1 4745 1.008000 0.423800 1.5103E+01 -1.1894E+01 -2.1612E+00 H2 4746 1.008000 0.423800 1.5289E+01 -1.3124E+01 -3.2194E+00 O6 4747 15.999400 -0.847600 1.2952E+01 1.1459E+01 9.2211E+00 H1 4748 1.008000 0.423800 1.3698E+01 1.1536E+01 9.8824E+00 H2 4749 1.008000 0.423800 1.3058E+01 1.2161E+01 8.5162E+00 O6 4750 15.999400 -0.847600 1.1170E+01 -1.1385E+01 -6.6544E+00 H1 4751 1.008000 0.423800 1.0497E+01 -1.1370E+01 -7.3940E+00 H2 4752 1.008000 0.423800 1.2083E+01 -1.1229E+01 -7.0313E+00 O6 4753 15.999400 -0.847600 1.6151E+01 1.7714E+01 1.0492E+01 H1 4754 1.008000 0.423800 1.6675E+01 1.8465E+01 1.0893E+01 H2 4755 1.008000 0.423800 1.6761E+01 1.7129E+01 9.9582E+00 O6 4756 15.999400 -0.847600 -9.6816E+00 3.6283E+00 8.7275E+00 H1 4757 1.008000 0.423800 -9.9670E+00 2.7197E+00 9.0325E+00 H2 4758 1.008000 0.423800 -1.0442E+01 4.2691E+00 8.8321E+00 O6 4759 15.999400 -0.847600 6.6225E+00 1.2325E+01 -4.2573E+00 H1 4760 1.008000 0.423800 5.6572E+00 1.2066E+01 -4.2288E+00 H2 4761 1.008000 0.423800 7.1541E+00 1.1587E+01 -4.6725E+00 O6 4762 15.999400 -0.847600 1.2471E+01 -1.1691E+01 1.3728E+01 H1 4763 1.008000 0.423800 1.2934E+01 -1.1068E+01 1.4359E+01 H2 4764 1.008000 0.423800 1.1574E+01 -1.1935E+01 1.4097E+01 O6 4765 15.999400 -0.847600 -1.3627E+00 5.8890E-01 -7.4635E+00 H1 4766 1.008000 0.423800 -1.7799E+00 1.8148E-01 -6.6511E+00 H2 4767 1.008000 0.423800 -5.8249E-01 3.3662E-02 -7.7515E+00 O6 4768 15.999400 -0.847600 1.3736E+01 2.8080E+00 -2.3123E+00 H1 4769 1.008000 0.423800 1.3080E+01 2.4295E+00 -1.6585E+00 H2 4770 1.008000 0.423800 1.4087E+01 3.6781E+00 -1.9663E+00 O6 4771 15.999400 -0.847600 1.3460E+01 1.0793E+01 1.3459E+01 H1 4772 1.008000 0.423800 1.4050E+01 1.0540E+01 1.2692E+01 H2 4773 1.008000 0.423800 1.2753E+01 1.1425E+01 1.3141E+01 O6 4774 15.999400 -0.847600 -1.7074E+01 1.0949E+01 -1.6727E+00 H1 4775 1.008000 0.423800 -1.7175E+01 9.9582E+00 -1.7628E+00 H2 4776 1.008000 0.423800 -1.6334E+01 1.1264E+01 -2.2674E+00 O6 4777 15.999400 -0.847600 2.2705E+00 -3.6649E+00 6.8088E+00 H1 4778 1.008000 0.423800 1.2729E+00 -3.7346E+00 6.8010E+00 H2 4779 1.008000 0.423800 2.6656E+00 -4.5611E+00 7.0103E+00 O6 4780 15.999400 -0.847600 -1.6738E+01 1.3850E+01 4.1006E+00 H1 4781 1.008000 0.423800 -1.7624E+01 1.4193E+01 3.7858E+00 H2 4782 1.008000 0.423800 -1.6181E+01 1.3593E+01 3.3114E+00 O6 4783 15.999400 -0.847600 9.0289E+00 2.3986E+00 8.4718E+00 H1 4784 1.008000 0.423800 9.5548E+00 1.8298E+00 7.8394E+00 H2 4785 1.008000 0.423800 9.5640E+00 3.2070E+00 8.7167E+00 O6 4786 15.999400 -0.847600 -3.6150E+00 -1.7122E+01 -9.8821E+00 H1 4787 1.008000 0.423800 -2.8027E+00 -1.6539E+01 -9.9010E+00 H2 4788 1.008000 0.423800 -3.9151E+00 -1.7306E+01 -1.0818E+01 O6 4789 15.999400 -0.847600 1.4896E+01 1.8507E+01 5.3088E+00 H1 4790 1.008000 0.423800 1.4303E+01 1.9007E+01 5.9395E+00 H2 4791 1.008000 0.423800 1.4523E+01 1.8565E+01 4.3831E+00 O6 4792 15.999400 -0.847600 1.0595E+01 -3.6706E-01 -1.5834E+01 H1 4793 1.008000 0.423800 1.1445E+01 -8.1913E-01 -1.6103E+01 H2 4794 1.008000 0.423800 1.0707E+01 4.5519E-02 -1.4931E+01 O6 4795 15.999400 -0.847600 -1.0856E+00 -1.0320E+01 -1.8824E+01 H1 4796 1.008000 0.423800 -1.4639E+00 -9.3943E+00 -1.8833E+01 H2 4797 1.008000 0.423800 -3.6063E-01 -1.0377E+01 -1.8138E+01 O6 4798 15.999400 -0.847600 9.5058E+00 -2.4296E+00 -1.2050E+01 H1 4799 1.008000 0.423800 1.0439E+01 -2.1258E+00 -1.1856E+01 H2 4800 1.008000 0.423800 9.1187E+00 -1.8702E+00 -1.2783E+01 O6 4801 15.999400 -0.847600 1.1885E+01 1.5500E+01 -1.3165E+01 H1 4802 1.008000 0.423800 1.1484E+01 1.5137E+01 -1.2324E+01 H2 4803 1.008000 0.423800 1.2340E+01 1.4761E+01 -1.3663E+01 O6 4804 15.999400 -0.847600 -1.4925E+01 1.8099E+01 -2.4516E+00 H1 4805 1.008000 0.423800 -1.5153E+01 1.8949E+01 -2.9269E+00 H2 4806 1.008000 0.423800 -1.5507E+01 1.8002E+01 -1.6443E+00 O6 4807 15.999400 -0.847600 8.2887E+00 3.5754E+00 -1.0248E+01 H1 4808 1.008000 0.423800 7.5855E+00 2.9937E+00 -9.8392E+00 H2 4809 1.008000 0.423800 9.1070E+00 3.5630E+00 -9.6734E+00 O6 4810 15.999400 -0.847600 -1.6594E+01 1.4203E+01 1.0756E+01 H1 4811 1.008000 0.423800 -1.6461E+01 1.4208E+01 9.7644E+00 H2 4812 1.008000 0.423800 -1.7174E+01 1.4974E+01 1.1018E+01 O6 4813 15.999400 -0.847600 -9.7462E+00 7.2131E+00 1.4874E+01 H1 4814 1.008000 0.423800 -9.5852E+00 8.1864E+00 1.4710E+01 H2 4815 1.008000 0.423800 -1.0336E+01 7.1030E+00 1.5674E+01 O6 4816 15.999400 -0.847600 1.9297E+01 1.6493E+01 -1.9522E+01 H1 4817 1.008000 0.423800 1.9326E+01 1.7220E+01 -1.8836E+01 H2 4818 1.008000 0.423800 1.8695E+01 1.5760E+01 -1.9206E+01 O6 4819 15.999400 -0.847600 1.9244E+01 -5.0955E+00 1.5925E+01 H1 4820 1.008000 0.423800 -1.9456E+01 -5.6966E+00 1.5232E+01 H2 4821 1.008000 0.423800 1.8829E+01 -4.3020E+00 1.5480E+01 O6 4822 15.999400 -0.847600 6.7033E+00 1.6159E+01 9.8903E+00 H1 4823 1.008000 0.423800 7.1847E+00 1.6802E+01 1.0487E+01 H2 4824 1.008000 0.423800 7.2774E+00 1.5356E+01 9.7335E+00 O6 4825 15.999400 -0.847600 -1.0560E+01 -1.7512E+01 -3.9340E+00 H1 4826 1.008000 0.423800 -1.0710E+01 -1.7910E+01 -3.0292E+00 H2 4827 1.008000 0.423800 -9.6826E+00 -1.7032E+01 -3.9453E+00 O6 4828 15.999400 -0.847600 -6.1887E+00 3.0649E+00 -8.3556E+00 H1 4829 1.008000 0.423800 -6.2166E+00 2.4949E+00 -9.1768E+00 H2 4830 1.008000 0.423800 -5.2374E+00 3.2140E+00 -8.0856E+00 O6 4831 15.999400 -0.847600 1.1644E+01 -8.5505E-01 -1.1216E+01 H1 4832 1.008000 0.423800 1.1441E+01 -6.4439E-02 -1.0638E+01 H2 4833 1.008000 0.423800 1.2490E+01 -1.2869E+00 -1.0905E+01 O6 4834 15.999400 -0.847600 -1.7121E+01 -5.3796E+00 -2.7170E+00 H1 4835 1.008000 0.423800 -1.6761E+01 -5.8429E+00 -3.5270E+00 H2 4836 1.008000 0.423800 -1.6531E+01 -4.6064E+00 -2.4857E+00 O6 4837 15.999400 -0.847600 1.4523E+01 2.3510E+00 5.4953E+00 H1 4838 1.008000 0.423800 1.4259E+01 1.4003E+00 5.6572E+00 H2 4839 1.008000 0.423800 1.5218E+01 2.6216E+00 6.1616E+00 O6 4840 15.999400 -0.847600 -8.7077E+00 -1.0995E+01 -9.7417E+00 H1 4841 1.008000 0.423800 -8.5561E+00 -1.0334E+01 -1.0477E+01 H2 4842 1.008000 0.423800 -9.3887E+00 -1.0634E+01 -9.1044E+00 O6 4843 15.999400 -0.847600 4.1388E+00 9.7625E+00 -1.2533E+01 H1 4844 1.008000 0.423800 4.3295E+00 9.7107E+00 -1.1553E+01 H2 4845 1.008000 0.423800 4.2825E+00 8.8643E+00 -1.2948E+01 O6 4846 15.999400 -0.847600 -2.5418E+00 -1.5465E+01 1.9092E+01 H1 4847 1.008000 0.423800 -2.6950E+00 -1.6107E+01 -1.9254E+01 H2 4848 1.008000 0.423800 -2.9636E+00 -1.5821E+01 1.8258E+01 O6 4849 15.999400 -0.847600 8.6877E+00 -9.8183E+00 -7.5304E+00 H1 4850 1.008000 0.423800 8.9586E+00 -8.9119E+00 -7.2063E+00 H2 4851 1.008000 0.423800 9.2460E+00 -1.0070E+01 -8.3209E+00 O6 4852 15.999400 -0.847600 -7.1710E+00 -9.1908E+00 1.6002E+01 H1 4853 1.008000 0.423800 -7.9148E+00 -9.7368E+00 1.5616E+01 H2 4854 1.008000 0.423800 -6.6810E+00 -9.7314E+00 1.6686E+01 O6 4855 15.999400 -0.847600 -1.2745E+01 5.6326E+00 -6.1787E+00 H1 4856 1.008000 0.423800 -1.3643E+01 5.2026E+00 -6.0842E+00 H2 4857 1.008000 0.423800 -1.2470E+01 6.0253E+00 -5.3013E+00 O6 4858 15.999400 -0.847600 1.0583E+01 -1.6359E+01 -1.5885E+01 H1 4859 1.008000 0.423800 9.8197E+00 -1.6950E+01 -1.5623E+01 H2 4860 1.008000 0.423800 1.1303E+01 -1.6419E+01 -1.5194E+01 O6 4861 15.999400 -0.847600 1.9331E+01 -8.2864E+00 1.1366E+01 H1 4862 1.008000 0.423800 -1.9063E+01 -8.5314E+00 1.0698E+01 H2 4863 1.008000 0.423800 1.9235E+01 -7.2916E+00 1.1399E+01 O6 4864 15.999400 -0.847600 1.4572E+01 -5.0301E+00 5.7639E-01 H1 4865 1.008000 0.423800 1.5199E+01 -5.7052E+00 9.6402E-01 H2 4866 1.008000 0.423800 1.5067E+01 -4.1810E+00 3.9329E-01 O6 4867 15.999400 -0.847600 7.4190E+00 -3.8922E+00 2.6828E+00 H1 4868 1.008000 0.423800 7.8163E+00 -3.1217E+00 3.1813E+00 H2 4869 1.008000 0.423800 8.1518E+00 -4.4621E+00 2.3112E+00 O6 4870 15.999400 -0.847600 -1.5735E+01 -1.3050E+01 1.8258E+01 H1 4871 1.008000 0.423800 -1.6396E+01 -1.2343E+01 1.8007E+01 H2 4872 1.008000 0.423800 -1.5132E+01 -1.3233E+01 1.7481E+01 O6 4873 15.999400 -0.847600 -1.7735E+01 1.6789E+01 7.8793E+00 H1 4874 1.008000 0.423800 -1.7850E+01 1.5859E+01 8.2308E+00 H2 4875 1.008000 0.423800 -1.7149E+01 1.7310E+01 8.4996E+00 O6 4876 15.999400 -0.847600 -3.3371E+00 -7.8093E+00 -1.4335E+01 H1 4877 1.008000 0.423800 -3.8514E+00 -7.0325E+00 -1.4699E+01 H2 4878 1.008000 0.423800 -3.9708E+00 -8.4678E+00 -1.3930E+01 O6 4879 15.999400 -0.847600 1.7072E+01 -2.0951E+00 -1.8005E+01 H1 4880 1.008000 0.423800 1.7319E+01 -3.0573E+00 -1.7890E+01 H2 4881 1.008000 0.423800 1.7846E+01 -1.5971E+00 -1.8398E+01 O6 4882 15.999400 -0.847600 1.2254E+01 2.1276E+00 -2.0327E-01 H1 4883 1.008000 0.423800 1.1516E+01 1.4539E+00 -1.6322E-01 H2 4884 1.008000 0.423800 1.2113E+01 2.8192E+00 5.0500E-01 O6 4885 15.999400 -0.847600 -6.5086E+00 -1.1795E+01 -1.6820E+01 H1 4886 1.008000 0.423800 -5.6346E+00 -1.1323E+01 -1.6701E+01 H2 4887 1.008000 0.423800 -6.6856E+00 -1.2373E+01 -1.6023E+01 O6 4888 15.999400 -0.847600 1.1251E+01 -7.6429E+00 -8.8648E+00 H1 4889 1.008000 0.423800 1.1498E+01 -7.9589E+00 -9.7809E+00 H2 4890 1.008000 0.423800 1.1938E+01 -7.9548E+00 -8.2085E+00 O6 4891 15.999400 -0.847600 -7.6278E+00 -7.3741E+00 -7.4116E+00 H1 4892 1.008000 0.423800 -7.7481E+00 -6.6745E+00 -6.7073E+00 H2 4893 1.008000 0.423800 -7.7403E+00 -8.2803E+00 -7.0040E+00 O6 4894 15.999400 -0.847600 9.2168E+00 -1.9816E+00 -1.7744E+01 H1 4895 1.008000 0.423800 9.1988E+00 -1.4250E+00 -1.8575E+01 H2 4896 1.008000 0.423800 9.4505E+00 -1.4049E+00 -1.6961E+01 O6 4897 15.999400 -0.847600 -1.5345E+01 1.4009E+01 -2.0350E+00 H1 4898 1.008000 0.423800 -1.5216E+01 1.3092E+01 -2.4112E+00 H2 4899 1.008000 0.423800 -1.4455E+01 1.4404E+01 -1.8065E+00 O6 4900 15.999400 -0.847600 -6.4272E+00 1.7706E+01 1.3548E+01 H1 4901 1.008000 0.423800 -7.0317E+00 1.7634E+01 1.2755E+01 H2 4902 1.008000 0.423800 -5.8137E+00 1.6917E+01 1.3573E+01 O6 4903 15.999400 -0.847600 3.7689E+00 -1.8887E+01 -1.5874E+01 H1 4904 1.008000 0.423800 4.6665E+00 -1.9004E+01 -1.6299E+01 H2 4905 1.008000 0.423800 3.7969E+00 -1.8111E+01 -1.5244E+01 O6 4906 15.999400 -0.847600 -7.4729E+00 -1.5763E+01 1.2454E+00 H1 4907 1.008000 0.423800 -8.2577E+00 -1.5558E+01 1.8304E+00 H2 4908 1.008000 0.423800 -6.7277E+00 -1.5130E+01 1.4540E+00 O6 4909 15.999400 -0.847600 -9.3195E-01 -4.5912E+00 -1.1131E+01 H1 4910 1.008000 0.423800 -8.7737E-01 -4.2083E+00 -1.2053E+01 H2 4911 1.008000 0.423800 -1.6152E+00 -5.3211E+00 -1.1113E+01 O6 4912 15.999400 -0.847600 1.4879E+01 -1.7459E+01 1.0800E+01 H1 4913 1.008000 0.423800 1.4844E+01 -1.8304E+01 1.0267E+01 H2 4914 1.008000 0.423800 1.5286E+01 -1.7646E+01 1.1694E+01 O6 4915 15.999400 -0.847600 -1.5559E-02 8.2408E+00 -6.9549E+00 H1 4916 1.008000 0.423800 -3.3306E-01 7.5722E+00 -7.6273E+00 H2 4917 1.008000 0.423800 -2.1285E-01 7.9061E+00 -6.0334E+00 O6 4918 15.999400 -0.847600 -2.2316E+00 -1.4828E+01 -7.4080E+00 H1 4919 1.008000 0.423800 -2.8952E+00 -1.4080E+01 -7.3754E+00 H2 4920 1.008000 0.423800 -2.0153E+00 -1.5040E+01 -8.3610E+00 O6 4921 15.999400 -0.847600 1.8857E+01 -1.9243E+01 8.6270E+00 H1 4922 1.008000 0.423800 1.7893E+01 -1.9104E+01 8.4032E+00 H2 4923 1.008000 0.423800 1.9212E+01 -1.8430E+01 9.0890E+00 O6 4924 15.999400 -0.847600 1.9155E+01 -1.2352E+01 9.9966E+00 H1 4925 1.008000 0.423800 1.8403E+01 -1.1982E+01 9.4511E+00 H2 4926 1.008000 0.423800 1.9184E+01 -1.1888E+01 1.0882E+01 O6 4927 15.999400 -0.847600 -1.5540E+01 -3.3937E+00 5.6238E+00 H1 4928 1.008000 0.423800 -1.6032E+01 -3.4574E+00 6.4917E+00 H2 4929 1.008000 0.423800 -1.5304E+01 -2.4387E+00 5.4437E+00 O6 4930 15.999400 -0.847600 1.1936E+00 3.1476E+00 1.4084E+01 H1 4931 1.008000 0.423800 1.1718E+00 4.0169E+00 1.3590E+01 H2 4932 1.008000 0.423800 1.0199E+00 3.3117E+00 1.5055E+01 O6 4933 15.999400 -0.847600 -1.0774E+01 -1.8790E+01 5.6716E+00 H1 4934 1.008000 0.423800 -1.0392E+01 -1.9529E+01 5.1175E+00 H2 4935 1.008000 0.423800 -1.1772E+01 -1.8853E+01 5.6687E+00 O6 4936 15.999400 -0.847600 -8.8390E+00 -1.4433E+01 1.7942E+01 H1 4937 1.008000 0.423800 -7.9403E+00 -1.4646E+01 1.8326E+01 H2 4938 1.008000 0.423800 -9.1487E+00 -1.3548E+01 1.8289E+01 O6 4939 15.999400 -0.847600 -1.7847E+01 1.3806E+01 -1.9140E+01 H1 4940 1.008000 0.423800 -1.8548E+01 1.4453E+01 -1.8841E+01 H2 4941 1.008000 0.423800 -1.7031E+01 1.4308E+01 -1.9427E+01 O6 4942 15.999400 -0.847600 9.0657E+00 -9.3711E+00 7.0411E+00 H1 4943 1.008000 0.423800 9.6801E+00 -9.6132E+00 7.7920E+00 H2 4944 1.008000 0.423800 8.1360E+00 -9.2622E+00 7.3930E+00 O6 4945 15.999400 -0.847600 1.0657E+01 -1.0379E+01 8.8596E+00 H1 4946 1.008000 0.423800 9.9664E+00 -1.1080E+01 9.0374E+00 H2 4947 1.008000 0.423800 1.1004E+01 -1.0025E+01 9.7282E+00 O6 4948 15.999400 -0.847600 -5.1954E+00 -1.6275E+00 1.1572E+01 H1 4949 1.008000 0.423800 -4.6377E+00 -1.9735E+00 1.2326E+01 H2 4950 1.008000 0.423800 -5.6357E+00 -7.7301E-01 1.1847E+01 O6 4951 15.999400 -0.847600 1.7455E+01 -4.8484E+00 -1.6912E+01 H1 4952 1.008000 0.423800 1.7207E+01 -5.6988E+00 -1.6448E+01 H2 4953 1.008000 0.423800 1.7673E+01 -5.0420E+00 -1.7868E+01 O6 4954 15.999400 -0.847600 -1.0330E+01 -1.0480E+01 2.8634E+00 H1 4955 1.008000 0.423800 -1.0462E+01 -1.0005E+01 1.9931E+00 H2 4956 1.008000 0.423800 -1.0345E+01 -9.8155E+00 3.6107E+00 O6 4957 15.999400 -0.847600 1.5778E+01 1.9073E+01 1.8845E+01 H1 4958 1.008000 0.423800 1.4784E+01 1.9177E+01 1.8865E+01 H2 4959 1.008000 0.423800 1.6185E+01 -1.9478E+01 -1.9521E+01 O6 4960 15.999400 -0.847600 4.7111E+00 6.2652E+00 1.3320E+01 H1 4961 1.008000 0.423800 3.9563E+00 6.5260E+00 1.3921E+01 H2 4962 1.008000 0.423800 5.5529E+00 6.7064E+00 1.3630E+01 O6 4963 15.999400 -0.847600 5.1764E+00 -1.8684E+01 1.6625E+00 H1 4964 1.008000 0.423800 4.5151E+00 -1.9062E+01 1.0147E+00 H2 4965 1.008000 0.423800 5.0989E+00 -1.7687E+01 1.6741E+00 O6 4966 15.999400 -0.847600 2.4095E+00 -1.2776E+01 -1.1554E+01 H1 4967 1.008000 0.423800 2.6290E+00 -1.2111E+01 -1.0839E+01 H2 4968 1.008000 0.423800 2.6299E+00 -1.2388E+01 -1.2449E+01 O6 4969 15.999400 -0.847600 1.2533E+01 -1.6304E+01 -1.4187E+01 H1 4970 1.008000 0.423800 1.3471E+01 -1.6653E+01 -1.4204E+01 H2 4971 1.008000 0.423800 1.2146E+01 -1.6436E+01 -1.3275E+01 O6 4972 15.999400 -0.847600 1.2388E+01 -1.6871E+01 -4.2630E+00 H1 4973 1.008000 0.423800 1.2223E+01 -1.6194E+01 -4.9798E+00 H2 4974 1.008000 0.423800 1.3332E+01 -1.6793E+01 -3.9416E+00 O6 4975 15.999400 -0.847600 -8.2252E+00 -6.9051E-01 -1.1836E+01 H1 4976 1.008000 0.423800 -8.5507E+00 -5.3121E-01 -1.0904E+01 H2 4977 1.008000 0.423800 -7.3624E+00 -2.0450E-01 -1.1976E+01 O6 4978 15.999400 -0.847600 -9.9327E+00 7.9124E-01 -1.3592E+01 H1 4979 1.008000 0.423800 -9.4798E+00 2.8824E-01 -1.2856E+01 H2 4980 1.008000 0.423800 -9.6060E+00 4.5519E-01 -1.4475E+01 O6 4981 15.999400 -0.847600 -1.3809E+01 4.2567E+00 1.7160E+01 H1 4982 1.008000 0.423800 -1.3403E+01 3.8687E+00 1.7987E+01 H2 4983 1.008000 0.423800 -1.4617E+01 3.7251E+00 1.6904E+01 O6 4984 15.999400 -0.847600 1.2531E+01 4.6492E+00 1.2441E+01 H1 4985 1.008000 0.423800 1.3324E+01 4.4722E+00 1.3023E+01 H2 4986 1.008000 0.423800 1.1991E+01 3.8125E+00 1.2350E+01 O6 4987 15.999400 -0.847600 1.8526E+00 9.5259E+00 -8.4573E+00 H1 4988 1.008000 0.423800 1.1290E+00 9.1366E+00 -7.8873E+00 H2 4989 1.008000 0.423800 1.5374E+00 9.5808E+00 -9.4047E+00 O6 4990 15.999400 -0.847600 -4.0937E+00 -1.2824E+01 -6.4320E+00 H1 4991 1.008000 0.423800 -3.3881E+00 -1.3055E+01 -5.7623E+00 H2 4992 1.008000 0.423800 -4.9890E+00 -1.3099E+01 -6.0814E+00 O6 4993 15.999400 -0.847600 -1.2357E+01 -6.2315E+00 8.3822E+00 H1 4994 1.008000 0.423800 -1.2465E+01 -5.6359E+00 9.1782E+00 H2 4995 1.008000 0.423800 -1.1552E+01 -5.9482E+00 7.8607E+00 O6 4996 15.999400 -0.847600 -4.9073E+00 -8.8653E+00 8.3956E+00 H1 4997 1.008000 0.423800 -4.7685E+00 -9.8419E+00 8.5601E+00 H2 4998 1.008000 0.423800 -5.5608E+00 -8.5048E+00 9.0611E+00 O6 4999 15.999400 -0.847600 -8.0724E+00 1.9321E+01 -1.6850E+01 H1 5000 1.008000 0.423800 -8.5801E+00 -1.8961E+01 -1.7128E+01 H2 5001 1.008000 0.423800 -7.4341E+00 -1.9538E+01 -1.6118E+01 O6 5002 15.999400 -0.847600 1.3738E+00 1.3516E+01 1.2864E+01 H1 5003 1.008000 0.423800 3.8213E-01 1.3483E+01 1.2739E+01 H2 5004 1.008000 0.423800 1.6380E+00 1.4423E+01 1.3192E+01 O6 5005 15.999400 -0.847600 -1.9208E+01 -1.1199E+01 6.2902E+00 H1 5006 1.008000 0.423800 -1.8647E+01 -1.1854E+01 6.7961E+00 H2 5007 1.008000 0.423800 -1.8642E+01 -1.0425E+01 6.0069E+00 O6 5008 15.999400 -0.847600 6.9579E+00 -1.5279E+01 1.4986E+00 H1 5009 1.008000 0.423800 6.0291E+00 -1.5352E+01 1.8617E+00 H2 5010 1.008000 0.423800 7.5644E+00 -1.5888E+01 2.0088E+00 O6 5011 15.999400 -0.847600 -1.5378E+01 1.8818E+01 -9.7116E+00 H1 5012 1.008000 0.423800 -1.4848E+01 1.8452E+01 -8.9470E+00 H2 5013 1.008000 0.423800 -1.5941E+01 -1.9517E+01 -9.3920E+00 O6 5014 15.999400 -0.847600 -1.2976E+01 1.1838E+01 -1.5778E+01 H1 5015 1.008000 0.423800 -1.3624E+01 1.1485E+01 -1.6453E+01 H2 5016 1.008000 0.423800 -1.3352E+01 1.1715E+01 -1.4860E+01 O6 5017 15.999400 -0.847600 1.6273E+00 -8.5511E+00 -8.1558E-01 H1 5018 1.008000 0.423800 6.4746E-01 -8.4741E+00 -6.3088E-01 H2 5019 1.008000 0.423800 1.9989E+00 -9.3366E+00 -3.2081E-01 O6 5020 15.999400 -0.847600 -1.2736E+01 4.2778E+00 1.3859E+01 H1 5021 1.008000 0.423800 -1.2251E+01 3.6496E+00 1.4467E+01 H2 5022 1.008000 0.423800 -1.2884E+01 5.1486E+00 1.4328E+01 O6 5023 15.999400 -0.847600 1.6456E+01 -7.1224E+00 -1.1469E+01 H1 5024 1.008000 0.423800 1.6385E+01 -6.8340E+00 -1.2424E+01 H2 5025 1.008000 0.423800 1.5551E+01 -7.0942E+00 -1.1044E+01 O6 5026 15.999400 -0.847600 1.0222E+01 -9.6408E+00 -1.3882E+01 H1 5027 1.008000 0.423800 9.6013E+00 -9.5288E+00 -1.3106E+01 H2 5028 1.008000 0.423800 1.0347E+01 -8.7598E+00 -1.4338E+01 O6 5029 15.999400 -0.847600 -7.1701E+00 -6.7201E+00 4.6526E+00 H1 5030 1.008000 0.423800 -6.4140E+00 -6.5485E+00 4.0210E+00 H2 5031 1.008000 0.423800 -6.8922E+00 -6.4715E+00 5.5805E+00 O6 5032 15.999400 -0.847600 1.9089E+01 1.2993E+01 1.0437E+01 H1 5033 1.008000 0.423800 -1.9329E+01 1.2370E+01 1.0051E+01 H2 5034 1.008000 0.423800 1.8510E+01 1.3350E+01 9.7047E+00 O6 5035 15.999400 -0.847600 5.6844E+00 -1.1118E+01 7.9680E-01 H1 5036 1.008000 0.423800 6.4672E+00 -1.1569E+01 1.2256E+00 H2 5037 1.008000 0.423800 5.7760E+00 -1.1166E+01 -1.9783E-01 O6 5038 15.999400 -0.847600 8.9135E+00 1.9308E+01 7.6359E+00 H1 5039 1.008000 0.423800 8.9548E+00 1.9264E+01 8.6341E+00 H2 5040 1.008000 0.423800 9.4090E+00 1.8531E+01 7.2476E+00 O6 5041 15.999400 -0.847600 -3.7095E+00 5.8052E+00 -6.0858E+00 H1 5042 1.008000 0.423800 -3.0495E+00 5.8569E+00 -5.3364E+00 H2 5043 1.008000 0.423800 -4.6359E+00 5.8991E+00 -5.7211E+00 O6 5044 15.999400 -0.847600 4.7381E+00 9.0632E+00 1.1529E+01 H1 5045 1.008000 0.423800 3.9554E+00 8.6665E+00 1.2008E+01 H2 5046 1.008000 0.423800 4.9258E+00 8.5331E+00 1.0702E+01 O6 5047 15.999400 -0.847600 1.7903E+01 -3.2678E+00 -1.4623E+01 H1 5048 1.008000 0.423800 1.7591E+01 -3.6784E+00 -1.5480E+01 H2 5049 1.008000 0.423800 1.8468E+01 -3.9251E+00 -1.4125E+01 O6 5050 15.999400 -0.847600 -7.3070E+00 -2.1206E+00 1.7419E+01 H1 5051 1.008000 0.423800 -6.6072E+00 -2.3697E+00 1.8088E+01 H2 5052 1.008000 0.423800 -7.4102E+00 -1.1262E+00 1.7399E+01 O6 5053 15.999400 -0.847600 -1.2759E+01 -1.7164E+01 1.1967E+01 H1 5054 1.008000 0.423800 -1.2807E+01 -1.8161E+01 1.1898E+01 H2 5055 1.008000 0.423800 -1.2072E+01 -1.6818E+01 1.1328E+01 O6 5056 15.999400 -0.847600 -1.6525E+01 7.7301E+00 -7.0086E+00 H1 5057 1.008000 0.423800 -1.7328E+01 8.3262E+00 -6.9939E+00 H2 5058 1.008000 0.423800 -1.6407E+01 7.3077E+00 -6.1100E+00 O6 5059 15.999400 -0.847600 9.8550E+00 1.5216E+01 -2.4633E+00 H1 5060 1.008000 0.423800 9.2774E+00 1.5833E+01 -2.9978E+00 H2 5061 1.008000 0.423800 1.0813E+01 1.5358E+01 -2.7113E+00 O6 5062 15.999400 -0.847600 4.8442E+00 -1.5045E+01 1.2017E+01 H1 5063 1.008000 0.423800 5.6658E+00 -1.5549E+01 1.1751E+01 H2 5064 1.008000 0.423800 5.0540E+00 -1.4069E+01 1.2067E+01 O6 5065 15.999400 -0.847600 6.0625E+00 1.7123E+01 4.6102E+00 H1 5066 1.008000 0.423800 5.1647E+00 1.6686E+01 4.5540E+00 H2 5067 1.008000 0.423800 6.4841E+00 1.6906E+01 5.4906E+00 O6 5068 15.999400 -0.847600 -1.4345E+01 1.4852E+01 5.8745E+00 H1 5069 1.008000 0.423800 -1.5132E+01 1.4442E+01 5.4128E+00 H2 5070 1.008000 0.423800 -1.4603E+01 1.5746E+01 6.2410E+00 O6 5071 15.999400 -0.847600 -1.5909E+01 5.8334E+00 3.0771E+00 H1 5072 1.008000 0.423800 -1.5161E+01 6.0662E+00 2.4551E+00 H2 5073 1.008000 0.423800 -1.6030E+01 6.5697E+00 3.7428E+00 O6 5074 15.999400 -0.847600 1.4597E+01 -9.9693E+00 1.8916E+01 H1 5075 1.008000 0.423800 1.3604E+01 -1.0058E+01 1.8841E+01 H2 5076 1.008000 0.423800 1.4995E+01 -1.0859E+01 1.9141E+01 O6 5077 15.999400 -0.847600 1.2594E+01 -1.6303E+01 1.3424E+01 H1 5078 1.008000 0.423800 1.1933E+01 -1.5594E+01 1.3670E+01 H2 5079 1.008000 0.423800 1.2493E+01 -1.7082E+01 1.4042E+01 O6 5080 15.999400 -0.847600 -9.3274E+00 -1.2708E+01 1.2086E+01 H1 5081 1.008000 0.423800 -8.8779E+00 -1.2355E+01 1.1265E+01 H2 5082 1.008000 0.423800 -1.0255E+01 -1.3002E+01 1.1857E+01 O6 5083 15.999400 -0.847600 -1.4930E+01 -3.8677E+00 1.8966E+01 H1 5084 1.008000 0.423800 -1.4261E+01 -4.5022E+00 1.9353E+01 H2 5085 1.008000 0.423800 -1.5522E+01 -3.5229E+00 -1.9404E+01 O6 5086 15.999400 -0.847600 -1.3489E+01 -1.4304E+01 -1.2473E+01 H1 5087 1.008000 0.423800 -1.4324E+01 -1.4165E+01 -1.3005E+01 H2 5088 1.008000 0.423800 -1.2830E+01 -1.4823E+01 -1.3016E+01 O6 5089 15.999400 -0.847600 -1.6354E+01 -1.2418E+01 -1.6685E+01 H1 5090 1.008000 0.423800 -1.6896E+01 -1.2494E+01 -1.7522E+01 H2 5091 1.008000 0.423800 -1.6636E+01 -1.3128E+01 -1.6040E+01 O6 5092 15.999400 -0.847600 -1.8130E+01 -1.4204E+01 1.3729E+01 H1 5093 1.008000 0.423800 -1.8083E+01 -1.4371E+01 1.2744E+01 H2 5094 1.008000 0.423800 -1.7866E+01 -1.5034E+01 1.4221E+01 O6 5095 15.999400 -0.847600 -1.3835E+00 -8.2242E+00 1.6380E+01 H1 5096 1.008000 0.423800 -1.7774E+00 -9.0805E+00 1.6714E+01 H2 5097 1.008000 0.423800 -1.0363E+00 -7.6931E+00 1.7153E+01 O6 5098 15.999400 -0.847600 8.6194E+00 -1.7881E+01 -6.8345E+00 H1 5099 1.008000 0.423800 9.5095E+00 -1.7807E+01 -7.2841E+00 H2 5100 1.008000 0.423800 8.7513E+00 -1.8111E+01 -5.8702E+00 O6 5101 15.999400 -0.847600 1.0020E+01 -6.8293E+00 -1.7545E+01 H1 5102 1.008000 0.423800 1.0268E+01 -5.8776E+00 -1.7726E+01 H2 5103 1.008000 0.423800 1.0686E+01 -7.2326E+00 -1.6917E+01 O6 5104 15.999400 -0.847600 6.1648E+00 -1.3218E+01 -9.8043E+00 H1 5105 1.008000 0.423800 6.1686E+00 -1.2412E+01 -9.2126E+00 H2 5106 1.008000 0.423800 5.8206E+00 -1.4006E+01 -9.2927E+00 O6 5107 15.999400 -0.847600 7.6789E-02 6.2747E+00 -1.7424E+01 H1 5108 1.008000 0.423800 -6.4101E-01 6.4640E+00 -1.6754E+01 H2 5109 1.008000 0.423800 5.6763E-01 5.4441E+00 -1.7160E+01 O6 5110 15.999400 -0.847600 -5.7402E-01 6.6705E+00 -1.8711E+00 H1 5111 1.008000 0.423800 -4.3797E-01 6.3831E+00 -9.2294E-01 H2 5112 1.008000 0.423800 -1.5501E+00 6.8046E+00 -2.0418E+00 O6 5113 15.999400 -0.847600 1.4198E+01 1.6009E+01 -1.1692E+01 H1 5114 1.008000 0.423800 1.3536E+01 1.5757E+01 -1.2399E+01 H2 5115 1.008000 0.423800 1.4393E+01 1.5214E+01 -1.1119E+01 O6 5116 15.999400 -0.847600 5.8530E+00 -1.9301E+01 4.0844E+00 H1 5117 1.008000 0.423800 5.4523E+00 -1.9018E+01 3.2129E+00 H2 5118 1.008000 0.423800 5.8845E+00 1.8798E+01 4.1282E+00 O6 5119 15.999400 -0.847600 6.9159E+00 -8.1398E+00 -1.3052E+01 H1 5120 1.008000 0.423800 7.8352E+00 -8.1515E+00 -1.2658E+01 H2 5121 1.008000 0.423800 6.3111E+00 -8.7171E+00 -1.2503E+01 O6 5122 15.999400 -0.847600 -1.1980E+00 1.1154E+01 -8.4631E+00 H1 5123 1.008000 0.423800 -1.4144E+00 1.0317E+01 -8.9666E+00 H2 5124 1.008000 0.423800 -1.5455E+00 1.1945E+01 -8.9662E+00 O6 5125 15.999400 -0.847600 -5.6974E+00 -1.0895E+01 5.6265E+00 H1 5126 1.008000 0.423800 -5.2060E+00 -1.1602E+01 6.1354E+00 H2 5127 1.008000 0.423800 -5.8076E+00 -1.0085E+01 6.2027E+00 O6 5128 15.999400 -0.847600 2.2767E+00 6.1228E+00 -4.9793E+00 H1 5129 1.008000 0.423800 2.0346E+00 7.0409E+00 -4.6655E+00 H2 5130 1.008000 0.423800 2.3195E+00 6.1125E+00 -5.9783E+00 O6 5131 15.999400 -0.847600 -2.0251E+00 6.5919E+00 1.5778E+01 H1 5132 1.008000 0.423800 -2.1410E+00 7.5835E+00 1.5836E+01 H2 5133 1.008000 0.423800 -2.3899E+00 6.1650E+00 1.6605E+01 O6 5134 15.999400 -0.847600 1.7799E+01 -1.3878E+01 1.3839E+01 H1 5135 1.008000 0.423800 1.8752E+01 -1.3728E+01 1.3575E+01 H2 5136 1.008000 0.423800 1.7216E+01 -1.3823E+01 1.3028E+01 O6 5137 15.999400 -0.847600 1.2579E+01 1.4392E+01 8.9745E-01 H1 5138 1.008000 0.423800 1.2873E+01 1.4069E+01 -2.0358E-03 H2 5139 1.008000 0.423800 1.3306E+01 1.4943E+01 1.3081E+00 O6 5140 15.999400 -0.847600 1.4425E+00 -1.1295E+01 -6.4208E+00 H1 5141 1.008000 0.423800 1.5130E+00 -1.2180E+01 -6.8803E+00 H2 5142 1.008000 0.423800 2.1166E+00 -1.1247E+01 -5.6836E+00 O6 5143 15.999400 -0.847600 -1.5507E+00 -8.6736E+00 1.4191E+00 H1 5144 1.008000 0.423800 -2.2502E+00 -8.9669E+00 2.0708E+00 H2 5145 1.008000 0.423800 -1.9300E+00 -7.9711E+00 8.1686E-01 O6 5146 15.999400 -0.847600 -7.8116E+00 7.9501E+00 -1.3933E+01 H1 5147 1.008000 0.423800 -8.4597E+00 8.7100E+00 -1.3882E+01 H2 5148 1.008000 0.423800 -8.0983E+00 7.3152E+00 -1.4650E+01 O6 5149 15.999400 -0.847600 9.3566E+00 1.1170E+01 -1.4940E+01 H1 5150 1.008000 0.423800 9.6222E+00 1.0265E+01 -1.5273E+01 H2 5151 1.008000 0.423800 9.2933E+00 1.1803E+01 -1.5712E+01 O6 5152 15.999400 -0.847600 -1.5505E+01 6.4930E+00 -7.9202E-01 H1 5153 1.008000 0.423800 -1.5387E+01 5.8690E+00 -1.5645E+00 H2 5154 1.008000 0.423800 -1.4778E+01 6.3364E+00 -1.2337E-01 O6 5155 15.999400 -0.847600 -5.7758E+00 1.9183E+01 -1.2319E+01 H1 5156 1.008000 0.423800 -6.6635E+00 1.9422E+01 -1.1925E+01 H2 5157 1.008000 0.423800 -5.2015E+00 -1.9097E+01 -1.2366E+01 O6 5158 15.999400 -0.847600 1.6754E+01 2.2014E+00 -1.7297E+01 H1 5159 1.008000 0.423800 1.6588E+01 3.1783E+00 -1.7162E+01 H2 5160 1.008000 0.423800 1.7699E+01 2.0618E+00 -1.7594E+01 O6 5161 15.999400 -0.847600 -2.7565E+00 9.1980E+00 1.5822E+01 H1 5162 1.008000 0.423800 -2.8748E+00 9.4218E+00 1.6789E+01 H2 5163 1.008000 0.423800 -2.2329E+00 9.9226E+00 1.5374E+01 O6 5164 15.999400 -0.847600 1.1428E+00 -9.4648E+00 1.5306E+01 H1 5165 1.008000 0.423800 3.0054E-01 -9.1017E+00 1.4908E+01 H2 5166 1.008000 0.423800 9.5789E-01 -9.7969E+00 1.6231E+01 O6 5167 15.999400 -0.847600 1.2963E+01 -1.2580E+00 -1.9969E+00 H1 5168 1.008000 0.423800 1.2732E+01 -2.2305E+00 -2.0292E+00 H2 5169 1.008000 0.423800 1.2154E+01 -7.1573E-01 -2.2252E+00 O6 5170 15.999400 -0.847600 -1.4312E+01 -1.6303E+01 1.9351E+01 H1 5171 1.008000 0.423800 -1.4221E+01 -1.6369E+01 1.8358E+01 H2 5172 1.008000 0.423800 -1.5196E+01 -1.6678E+01 -1.9467E+01 O6 5173 15.999400 -0.847600 -5.4434E+00 1.4742E+01 -1.6304E+01 H1 5174 1.008000 0.423800 -5.6982E+00 1.3825E+01 -1.5997E+01 H2 5175 1.008000 0.423800 -5.3620E+00 1.5348E+01 -1.5513E+01 O6 5176 15.999400 -0.847600 3.4126E+00 1.7791E+01 -1.8568E+01 H1 5177 1.008000 0.423800 2.6559E+00 1.7552E+01 -1.7960E+01 H2 5178 1.008000 0.423800 4.2516E+00 1.7354E+01 -1.8244E+01 O6 5179 15.999400 -0.847600 5.6723E+00 1.0016E+01 3.0772E+00 H1 5180 1.008000 0.423800 5.9027E+00 1.0973E+01 3.2520E+00 H2 5181 1.008000 0.423800 5.1350E+00 9.9506E+00 2.2363E+00 O6 5182 15.999400 -0.847600 9.3761E+00 -2.5427E+00 6.9659E+00 H1 5183 1.008000 0.423800 9.4947E+00 -2.5950E+00 7.9575E+00 H2 5184 1.008000 0.423800 8.4300E+00 -2.2964E+00 6.7559E+00 O6 5185 15.999400 -0.847600 -1.6615E+01 -1.8433E+01 -8.2605E+00 H1 5186 1.008000 0.423800 -1.5757E+01 -1.7974E+01 -8.0309E+00 H2 5187 1.008000 0.423800 -1.7082E+01 -1.8707E+01 -7.4196E+00 O6 5188 15.999400 -0.847600 -1.8441E+01 -5.2080E+00 3.3973E+00 H1 5189 1.008000 0.423800 -1.8312E+01 -4.2681E+00 3.0814E+00 H2 5190 1.008000 0.423800 -1.8122E+01 -5.2892E+00 4.3414E+00 O6 5191 15.999400 -0.847600 4.0730E+00 -2.0162E+00 5.3059E+00 H1 5192 1.008000 0.423800 4.3072E+00 -2.3666E+00 4.3990E+00 H2 5193 1.008000 0.423800 3.5309E+00 -2.6981E+00 5.7968E+00 O6 5194 15.999400 -0.847600 1.1901E+01 7.3630E+00 1.4457E+01 H1 5195 1.008000 0.423800 1.1440E+01 6.4946E+00 1.4274E+01 H2 5196 1.008000 0.423800 1.2308E+01 7.7091E+00 1.3612E+01 O6 5197 15.999400 -0.847600 -1.1542E+01 6.3205E+00 -1.9529E+01 H1 5198 1.008000 0.423800 -1.2376E+01 6.0451E+00 -1.9051E+01 H2 5199 1.008000 0.423800 -1.0957E+01 6.8400E+00 -1.8906E+01 O6 5200 15.999400 -0.847600 1.4019E+01 -1.1997E+01 3.9317E+00 H1 5201 1.008000 0.423800 1.4564E+01 -1.2772E+01 4.2523E+00 H2 5202 1.008000 0.423800 1.3889E+01 -1.2067E+01 2.9428E+00 O6 5203 15.999400 -0.847600 6.1463E+00 1.8499E+01 -1.6661E+01 H1 5204 1.008000 0.423800 6.4026E+00 1.8947E+01 -1.5805E+01 H2 5205 1.008000 0.423800 6.6467E+00 1.8917E+01 -1.7419E+01 O6 5206 15.999400 -0.847600 3.1418E+00 -7.6036E+00 6.2417E+00 H1 5207 1.008000 0.423800 4.1270E+00 -7.6661E+00 6.0817E+00 H2 5208 1.008000 0.423800 2.9689E+00 -7.0116E+00 7.0289E+00 O6 5209 15.999400 -0.847600 1.3396E+01 -1.2445E+01 1.2069E+00 H1 5210 1.008000 0.423800 1.3354E+01 -1.3364E+01 8.1642E-01 H2 5211 1.008000 0.423800 1.2468E+01 -1.2120E+01 1.3939E+00 O6 5212 15.999400 -0.847600 -9.1328E+00 5.5228E+00 1.0964E+01 H1 5213 1.008000 0.423800 -9.6217E+00 4.6963E+00 1.1243E+01 H2 5214 1.008000 0.423800 -9.6745E+00 6.3280E+00 1.1205E+01 O6 5215 15.999400 -0.847600 1.5120E+01 -1.0578E+01 9.7113E+00 H1 5216 1.008000 0.423800 1.5215E+01 -1.1571E+01 9.6489E+00 H2 5217 1.008000 0.423800 1.5889E+01 -1.0140E+01 9.2449E+00 O6 5218 15.999400 -0.847600 -3.7179E+00 -2.7337E+00 1.3679E+01 H1 5219 1.008000 0.423800 -3.5104E+00 -3.7119E+00 1.3676E+01 H2 5220 1.008000 0.423800 -3.8457E+00 -2.4236E+00 1.4621E+01 O6 5221 15.999400 -0.847600 -3.2831E+00 1.5661E+01 -6.4450E+00 H1 5222 1.008000 0.423800 -4.1648E+00 1.5416E+01 -6.0417E+00 H2 5223 1.008000 0.423800 -2.7018E+00 1.6079E+01 -5.7468E+00 O6 5224 15.999400 -0.847600 -1.4042E+01 -5.3355E+00 -8.1856E+00 H1 5225 1.008000 0.423800 -1.3447E+01 -5.0393E+00 -8.9323E+00 H2 5226 1.008000 0.423800 -1.4977E+01 -5.0258E+00 -8.3617E+00 O6 5227 15.999400 -0.847600 -1.0730E+01 1.3795E+01 -1.2772E+01 H1 5228 1.008000 0.423800 -1.0437E+01 1.4682E+01 -1.2415E+01 H2 5229 1.008000 0.423800 -1.0708E+01 1.3814E+01 -1.3772E+01 O6 5230 15.999400 -0.847600 1.4461E+01 -9.7394E+00 -1.5637E+01 H1 5231 1.008000 0.423800 1.4097E+01 -1.0670E+01 -1.5602E+01 H2 5232 1.008000 0.423800 1.4271E+01 -9.3406E+00 -1.6534E+01 O6 5233 15.999400 -0.847600 -5.5878E+00 -5.6316E+00 -1.9314E+01 H1 5234 1.008000 0.423800 -6.4996E+00 -6.0352E+00 -1.9390E+01 H2 5235 1.008000 0.423800 -4.9727E+00 -6.0728E+00 1.9130E+01 O6 5236 15.999400 -0.847600 6.5700E+00 7.2425E+00 -5.5474E+00 H1 5237 1.008000 0.423800 6.6287E+00 6.8793E+00 -4.6175E+00 H2 5238 1.008000 0.423800 5.6242E+00 7.4996E+00 -5.7457E+00 O6 5239 15.999400 -0.847600 6.1598E+00 -6.4253E+00 1.2382E+01 H1 5240 1.008000 0.423800 6.5910E+00 -6.0675E+00 1.3211E+01 H2 5241 1.008000 0.423800 6.5563E+00 -5.9783E+00 1.1580E+01 O6 5242 15.999400 -0.847600 2.1888E+00 -7.1688E+00 1.0950E+01 H1 5243 1.008000 0.423800 2.8260E+00 -7.8945E+00 1.0691E+01 H2 5244 1.008000 0.423800 2.5662E+00 -6.6530E+00 1.1719E+01 O6 5245 15.999400 -0.847600 1.9459E+01 -1.5904E+01 5.6770E-01 H1 5246 1.008000 0.423800 -1.9324E+01 -1.6543E+01 1.2704E+00 H2 5247 1.008000 0.423800 1.8466E+01 -1.5805E+01 6.2789E-01 O6 5248 15.999400 -0.847600 -1.5627E+01 -1.8147E+01 8.8684E+00 H1 5249 1.008000 0.423800 -1.5489E+01 -1.8281E+01 9.8499E+00 H2 5250 1.008000 0.423800 -1.6518E+01 -1.8514E+01 8.6039E+00 O6 5251 15.999400 -0.847600 1.5857E+01 -4.0864E+00 4.3472E+00 H1 5252 1.008000 0.423800 1.5360E+01 -4.6321E+00 5.0217E+00 H2 5253 1.008000 0.423800 1.5220E+01 -3.4770E+00 3.8759E+00 O6 5254 15.999400 -0.847600 -2.3435E+00 1.4557E+01 5.4545E+00 H1 5255 1.008000 0.423800 -2.0625E+00 1.5512E+01 5.3696E+00 H2 5256 1.008000 0.423800 -2.3421E+00 1.4127E+01 4.5514E+00 O6 5257 15.999400 -0.847600 -1.8339E+01 -1.8759E+01 1.7947E+01 H1 5258 1.008000 0.423800 -1.8188E+01 -1.8763E+01 1.6959E+01 H2 5259 1.008000 0.423800 -1.8046E+01 1.9464E+01 1.8333E+01 O6 5260 15.999400 -0.847600 2.2010E+00 -1.1922E+00 7.9772E+00 H1 5261 1.008000 0.423800 2.2442E+00 -2.1313E+00 7.6361E+00 H2 5262 1.008000 0.423800 3.1151E+00 -7.8730E-01 7.9551E+00 O6 5263 15.999400 -0.847600 6.0912E+00 1.3531E+01 -9.0614E+00 H1 5264 1.008000 0.423800 6.6414E+00 1.2820E+01 -8.6244E+00 H2 5265 1.008000 0.423800 6.6200E+00 1.3958E+01 -9.7950E+00 O6 5266 15.999400 -0.847600 1.0295E+01 -4.2864E+00 -1.7971E+01 H1 5267 1.008000 0.423800 1.1227E+01 -3.9394E+00 -1.8081E+01 H2 5268 1.008000 0.423800 9.6955E+00 -3.5432E+00 -1.7675E+01 O6 5269 15.999400 -0.847600 3.4286E+00 -1.4346E+01 -1.0499E+00 H1 5270 1.008000 0.423800 3.6493E+00 -1.5308E+01 -8.9388E-01 H2 5271 1.008000 0.423800 3.7645E+00 -1.3798E+01 -2.8344E-01 O6 5272 15.999400 -0.847600 3.1383E+00 -9.8770E+00 1.0014E+01 H1 5273 1.008000 0.423800 2.4347E+00 -1.0001E+01 9.3142E+00 H2 5274 1.008000 0.423800 2.7805E+00 -1.0168E+01 1.0901E+01 O6 5275 15.999400 -0.847600 -9.6855E+00 1.6847E+01 -1.6227E+01 H1 5276 1.008000 0.423800 -8.8914E+00 1.7420E+01 -1.6429E+01 H2 5277 1.008000 0.423800 -1.0055E+01 1.6476E+01 -1.7079E+01 O6 5278 15.999400 -0.847600 -1.8381E+01 -2.9126E+00 1.3105E+01 H1 5279 1.008000 0.423800 -1.8641E+01 -2.1189E+00 1.2555E+01 H2 5280 1.008000 0.423800 -1.9082E+01 -3.0825E+00 1.3797E+01 O6 5281 15.999400 -0.847600 -1.5447E+01 1.5717E+01 1.9249E+01 H1 5282 1.008000 0.423800 -1.4988E+01 1.4886E+01 -1.9535E+01 H2 5283 1.008000 0.423800 -1.4942E+01 1.6106E+01 1.8478E+01 O6 5284 15.999400 -0.847600 1.7489E+01 9.5627E-01 8.5157E+00 H1 5285 1.008000 0.423800 1.8484E+01 9.1041E-01 8.4263E+00 H2 5286 1.008000 0.423800 1.7074E+01 1.9481E-01 8.0175E+00 O6 5287 15.999400 -0.847600 4.0083E+00 -8.7966E+00 -1.9298E+01 H1 5288 1.008000 0.423800 4.9511E+00 -9.0753E+00 -1.9115E+01 H2 5289 1.008000 0.423800 3.4244E+00 -9.6071E+00 -1.9346E+01 O6 5290 15.999400 -0.847600 -4.8277E-01 -6.7862E+00 1.8415E+01 H1 5291 1.008000 0.423800 4.3316E-01 -6.3994E+00 1.8522E+01 H2 5292 1.008000 0.423800 -9.4485E-01 -6.7996E+00 1.9302E+01 O6 5293 15.999400 -0.847600 9.1717E+00 -1.8373E+01 -3.9448E+00 H1 5294 1.008000 0.423800 9.7481E+00 -1.7606E+01 -3.6626E+00 H2 5295 1.008000 0.423800 9.5502E+00 -1.9225E+01 -3.5831E+00 O6 5296 15.999400 -0.847600 2.3513E+00 8.6046E-01 -1.4883E+01 H1 5297 1.008000 0.423800 1.9142E+00 8.1910E-01 -1.3985E+01 H2 5298 1.008000 0.423800 3.3208E+00 1.0791E+00 -1.4772E+01 O6 5299 15.999400 -0.847600 -5.5560E+00 7.1807E+00 -1.0927E+01 H1 5300 1.008000 0.423800 -4.9314E+00 7.1555E+00 -1.0146E+01 H2 5301 1.008000 0.423800 -6.3855E+00 6.6675E+00 -1.0707E+01 O6 5302 15.999400 -0.847600 3.9696E+00 1.5810E+01 6.3912E+00 H1 5303 1.008000 0.423800 3.0370E+00 1.6122E+01 6.2092E+00 H2 5304 1.008000 0.423800 4.2854E+00 1.6193E+01 7.2594E+00 O6 5305 15.999400 -0.847600 -1.0032E+01 1.7883E+01 -2.6583E+00 H1 5306 1.008000 0.423800 -9.5560E+00 1.7029E+01 -2.8672E+00 H2 5307 1.008000 0.423800 -1.0952E+01 1.7857E+01 -3.0502E+00 O6 5308 15.999400 -0.847600 -5.4620E+00 -1.8086E+01 -8.0194E+00 H1 5309 1.008000 0.423800 -5.0777E+00 -1.7592E+01 -8.7994E+00 H2 5310 1.008000 0.423800 -5.1173E+00 -1.9024E+01 -8.0165E+00 O6 5311 15.999400 -0.847600 -8.2529E+00 -9.0155E+00 -1.3853E+01 H1 5312 1.008000 0.423800 -8.6148E+00 -8.4827E+00 -1.4618E+01 H2 5313 1.008000 0.423800 -8.6928E+00 -9.9134E+00 -1.3835E+01 O6 5314 15.999400 -0.847600 4.2082E+00 -1.0698E+01 1.6437E+01 H1 5315 1.008000 0.423800 3.4043E+00 -1.0820E+01 1.7019E+01 H2 5316 1.008000 0.423800 5.0237E+00 -1.0611E+01 1.7009E+01 O6 5317 15.999400 -0.847600 -8.7948E+00 4.1297E+00 -8.4482E+00 H1 5318 1.008000 0.423800 -7.9281E+00 3.6605E+00 -8.6179E+00 H2 5319 1.008000 0.423800 -8.8205E+00 4.4500E+00 -7.5013E+00 O6 5320 15.999400 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-1.9449E+01 -1.5079E+00 6.6673E+00 H2 5337 1.008000 0.423800 1.8726E+01 -2.7956E+00 6.2714E+00 O6 5338 15.999400 -0.847600 -1.3107E+01 3.2034E+00 -3.6745E+00 H1 5339 1.008000 0.423800 -1.2410E+01 2.4863E+00 -3.6688E+00 H2 5340 1.008000 0.423800 -1.3132E+01 3.6369E+00 -4.5753E+00 O6 5341 15.999400 -0.847600 -1.3679E+01 -1.2372E+01 -1.6153E+01 H1 5342 1.008000 0.423800 -1.4667E+01 -1.2377E+01 -1.6306E+01 H2 5343 1.008000 0.423800 -1.3242E+01 -1.3018E+01 -1.6778E+01 O6 5344 15.999400 -0.847600 -1.8621E+01 -1.8301E+00 -1.1559E+01 H1 5345 1.008000 0.423800 -1.7665E+01 -2.1137E+00 -1.1622E+01 H2 5346 1.008000 0.423800 -1.9051E+01 -1.9051E+00 -1.2459E+01 O6 5347 15.999400 -0.847600 1.6312E+01 1.1131E+01 1.9492E+01 H1 5348 1.008000 0.423800 1.5460E+01 1.1422E+01 -1.9169E+01 H2 5349 1.008000 0.423800 1.6608E+01 1.1829E+01 1.8840E+01 O6 5350 15.999400 -0.847600 -1.9107E+01 -1.3585E+01 -4.4961E-01 H1 5351 1.008000 0.423800 -1.9122E+01 -1.4426E+01 9.0931E-02 H2 5352 1.008000 0.423800 1.9056E+01 -1.3332E+01 -6.9955E-01 O6 5353 15.999400 -0.847600 1.3572E+01 -7.6666E+00 2.4671E+00 H1 5354 1.008000 0.423800 1.3749E+01 -8.5258E+00 2.9475E+00 H2 5355 1.008000 0.423800 1.4329E+01 -7.0332E+00 2.6285E+00 O6 5356 15.999400 -0.847600 8.2750E+00 -1.8186E+01 4.9950E+00 H1 5357 1.008000 0.423800 8.7056E+00 -1.8493E+01 5.8437E+00 H2 5358 1.008000 0.423800 7.4888E+00 -1.8769E+01 4.7902E+00 O6 5359 15.999400 -0.847600 4.2713E+00 -1.8075E+01 1.2560E+01 H1 5360 1.008000 0.423800 4.2802E+00 -1.7086E+01 1.2411E+01 H2 5361 1.008000 0.423800 4.9164E+00 -1.8308E+01 1.3287E+01 O6 5362 15.999400 -0.847600 1.1550E+01 1.7449E+01 1.0287E+01 H1 5363 1.008000 0.423800 1.0666E+01 1.7907E+01 1.0377E+01 H2 5364 1.008000 0.423800 1.1734E+01 1.7269E+01 9.3204E+00 O6 5365 15.999400 -0.847600 -1.1905E+01 -1.3488E+01 -9.6477E-01 H1 5366 1.008000 0.423800 -1.1720E+01 -1.4035E+01 -1.4856E-01 H2 5367 1.008000 0.423800 -1.2486E+01 -1.4008E+01 -1.5902E+00 O6 5368 15.999400 -0.847600 1.0345E+01 1.8808E+01 -2.3052E+00 H1 5369 1.008000 0.423800 1.0842E+01 1.9361E+01 -1.6361E+00 H2 5370 1.008000 0.423800 1.0309E+01 1.7859E+01 -1.9925E+00 O6 5371 15.999400 -0.847600 -1.3905E+01 -2.5795E+00 -3.9337E+00 H1 5372 1.008000 0.423800 -1.3719E+01 -1.8793E+00 -4.6230E+00 H2 5373 1.008000 0.423800 -1.3351E+01 -3.3898E+00 -4.1239E+00 O6 5374 15.999400 -0.847600 1.7724E+01 -5.1118E+00 1.9381E+01 H1 5375 1.008000 0.423800 1.8218E+01 -4.3673E+00 1.8932E+01 H2 5376 1.008000 0.423800 1.6825E+01 -5.2179E+00 1.8957E+01 O6 5377 15.999400 -0.847600 6.5292E+00 1.5907E+01 1.8385E+01 H1 5378 1.008000 0.423800 7.2055E+00 1.6224E+01 1.9050E+01 H2 5379 1.008000 0.423800 6.0633E+00 1.5098E+01 1.8743E+01 O6 5380 15.999400 -0.847600 9.4047E+00 1.0260E+01 1.6005E+01 H1 5381 1.008000 0.423800 9.0414E+00 9.3313E+00 1.5931E+01 H2 5382 1.008000 0.423800 9.4264E+00 1.0682E+01 1.5099E+01 O6 5383 15.999400 -0.847600 1.4726E+01 1.3680E+01 -1.0247E+01 H1 5384 1.008000 0.423800 1.4067E+01 1.2949E+01 -1.0424E+01 H2 5385 1.008000 0.423800 1.4587E+01 1.4039E+01 -9.3243E+00 O6 5386 15.999400 -0.847600 -1.3679E+01 -3.3377E+00 1.5286E+01 H1 5387 1.008000 0.423800 -1.4601E+01 -3.6738E+00 1.5478E+01 H2 5388 1.008000 0.423800 -1.3590E+01 -3.1468E+00 1.4308E+01 O6 5389 15.999400 -0.847600 -1.3036E+01 1.2713E+01 1.8233E+01 H1 5390 1.008000 0.423800 -1.2847E+01 1.1741E+01 1.8099E+01 H2 5391 1.008000 0.423800 -1.2379E+01 1.3256E+01 1.7711E+01 O6 5392 15.999400 -0.847600 -1.5774E+01 -2.4445E+00 -1.1779E+01 H1 5393 1.008000 0.423800 -1.5655E+01 -3.3989E+00 -1.1505E+01 H2 5394 1.008000 0.423800 -1.4993E+01 -2.1576E+00 -1.2334E+01 O6 5395 15.999400 -0.847600 -7.1263E+00 6.6418E+00 1.0847E+00 H1 5396 1.008000 0.423800 -6.2597E+00 6.4238E+00 6.3571E-01 H2 5397 1.008000 0.423800 -7.8821E+00 6.2577E+00 5.5448E-01 O6 5398 15.999400 -0.847600 1.1971E+01 1.7652E+01 -1.7206E+01 H1 5399 1.008000 0.423800 1.1940E+01 1.8077E+01 -1.6301E+01 H2 5400 1.008000 0.423800 1.2921E+01 1.7455E+01 -1.7449E+01 O6 5401 15.999400 -0.847600 1.0438E+01 4.5730E+00 -4.3439E+00 H1 5402 1.008000 0.423800 1.1409E+01 4.3384E+00 -4.3926E+00 H2 5403 1.008000 0.423800 1.0340E+01 5.5260E+00 -4.0574E+00 O6 5404 15.999400 -0.847600 4.8029E-02 1.0830E+01 8.0689E+00 H1 5405 1.008000 0.423800 7.7737E-01 1.0181E+01 8.2847E+00 H2 5406 1.008000 0.423800 4.3610E-01 1.1624E+01 7.5999E+00 O6 5407 15.999400 -0.847600 -1.8428E+00 -8.4514E+00 6.8236E+00 H1 5408 1.008000 0.423800 -2.6079E+00 -7.9751E+00 7.2569E+00 H2 5409 1.008000 0.423800 -1.7048E+00 -9.3355E+00 7.2701E+00 O6 5410 15.999400 -0.847600 1.4335E+01 5.0744E+00 -8.6162E+00 H1 5411 1.008000 0.423800 1.3973E+01 4.5225E+00 -7.8649E+00 H2 5412 1.008000 0.423800 1.4143E+01 4.6201E+00 -9.4860E+00 O6 5413 15.999400 -0.847600 7.7481E+00 1.6134E+01 2.6272E+00 H1 5414 1.008000 0.423800 7.3245E+00 1.6108E+01 3.5327E+00 H2 5415 1.008000 0.423800 8.3409E+00 1.5336E+01 2.5139E+00 O6 5416 15.999400 -0.847600 -7.9663E+00 1.0353E+01 -2.4321E-01 H1 5417 1.008000 0.423800 -7.8221E+00 9.5189E+00 -7.7571E-01 H2 5418 1.008000 0.423800 -8.7770E+00 1.0245E+01 3.3219E-01 O6 5419 15.999400 -0.847600 1.8788E+01 1.3133E+01 -1.5559E+01 H1 5420 1.008000 0.423800 1.8799E+01 1.4043E+01 -1.5144E+01 H2 5421 1.008000 0.423800 1.8603E+01 1.2448E+01 -1.4854E+01 O6 5422 15.999400 -0.847600 6.9152E+00 8.8102E+00 -1.3451E+01 H1 5423 1.008000 0.423800 6.3269E+00 8.0089E+00 -1.3560E+01 H2 5424 1.008000 0.423800 7.1395E+00 9.1836E+00 -1.4351E+01 O6 5425 15.999400 -0.847600 -7.1797E+00 -1.2268E+01 1.0419E+01 H1 5426 1.008000 0.423800 -6.6871E+00 -1.2875E+01 1.1042E+01 H2 5427 1.008000 0.423800 -7.4472E+00 -1.2776E+01 9.6000E+00 O6 5428 15.999400 -0.847600 1.8512E+01 -1.6231E+01 -4.0507E+00 H1 5429 1.008000 0.423800 1.8118E+01 -1.6712E+01 -4.8338E+00 H2 5430 1.008000 0.423800 1.8047E+01 -1.6519E+01 -3.2138E+00 O6 5431 15.999400 -0.847600 1.8901E+01 -1.8777E+01 5.9648E+00 H1 5432 1.008000 0.423800 1.9280E+01 -1.8084E+01 6.5786E+00 H2 5433 1.008000 0.423800 1.8081E+01 -1.9174E+01 6.3765E+00 O6 5434 15.999400 -0.847600 1.9362E+01 1.6865E+01 1.6621E+01 H1 5435 1.008000 0.423800 1.9436E+01 1.6596E+01 1.7582E+01 H2 5436 1.008000 0.423800 1.9166E+01 1.6058E+01 1.6064E+01 O6 5437 15.999400 -0.847600 3.2054E+00 2.2871E+00 1.7854E+01 H1 5438 1.008000 0.423800 2.9950E+00 3.1916E+00 1.8225E+01 H2 5439 1.008000 0.423800 3.4502E+00 1.6690E+00 1.8601E+01 O6 5440 15.999400 -0.847600 -1.9366E+01 4.5173E+00 1.2339E+01 H1 5441 1.008000 0.423800 -1.8851E+01 5.3083E+00 1.2671E+01 H2 5442 1.008000 0.423800 1.9478E+01 4.6613E+00 1.1383E+01 O6 5443 15.999400 -0.847600 -8.8369E+00 1.6383E+01 -6.0654E+00 H1 5444 1.008000 0.423800 -8.0193E+00 1.6049E+01 -6.5344E+00 H2 5445 1.008000 0.423800 -9.3918E+00 1.5606E+01 -5.7687E+00 O6 5446 15.999400 -0.847600 9.5801E+00 -7.2653E+00 -1.4617E+01 H1 5447 1.008000 0.423800 9.0354E+00 -6.9754E+00 -1.5404E+01 H2 5448 1.008000 0.423800 9.5998E+00 -6.5322E+00 -1.3937E+01 O6 5449 15.999400 -0.847600 1.0152E+01 3.5163E+00 1.4490E+01 H1 5450 1.008000 0.423800 1.0316E+01 3.2086E+00 1.3553E+01 H2 5451 1.008000 0.423800 9.1822E+00 3.7287E+00 1.4606E+01 O6 5452 15.999400 -0.847600 1.5546E+01 9.8145E+00 7.1681E+00 H1 5453 1.008000 0.423800 1.4976E+01 1.0621E+01 7.0119E+00 H2 5454 1.008000 0.423800 1.5254E+01 9.3574E+00 8.0082E+00 O6 5455 15.999400 -0.847600 2.1878E+00 1.1039E+01 5.2268E+00 H1 5456 1.008000 0.423800 3.0993E+00 1.0632E+01 5.2887E+00 H2 5457 1.008000 0.423800 2.2715E+00 1.2016E+01 5.0317E+00 O6 5458 15.999400 -0.847600 -9.8435E+00 -1.8170E+01 1.9145E+01 H1 5459 1.008000 0.423800 -9.4948E+00 -1.7473E+01 1.8519E+01 H2 5460 1.008000 0.423800 -1.0828E+01 -1.8279E+01 1.9009E+01 O6 5461 15.999400 -0.847600 -4.7434E+00 -8.3857E+00 -1.1255E+01 H1 5462 1.008000 0.423800 -5.2601E+00 -8.7060E+00 -1.2048E+01 H2 5463 1.008000 0.423800 -4.2981E+00 -9.1634E+00 -1.0811E+01 O6 5464 15.999400 -0.847600 -1.1423E+01 -1.2504E+01 4.6316E+00 H1 5465 1.008000 0.423800 -1.2355E+01 -1.2376E+01 4.2921E+00 H2 5466 1.008000 0.423800 -1.0806E+01 -1.1876E+01 4.1572E+00 O6 5467 15.999400 -0.847600 -1.2198E+01 -8.3585E+00 1.0160E+01 H1 5468 1.008000 0.423800 -1.2366E+01 -7.5638E+00 9.5764E+00 H2 5469 1.008000 0.423800 -1.3035E+01 -8.5913E+00 1.0655E+01 O6 5470 15.999400 -0.847600 1.7744E+01 5.4391E+00 6.2184E+00 H1 5471 1.008000 0.423800 1.7900E+01 5.3045E+00 5.2398E+00 H2 5472 1.008000 0.423800 1.8613E+01 5.6474E+00 6.6683E+00 O6 5473 15.999400 -0.847600 -5.0102E+00 -1.7918E+01 7.0873E+00 H1 5474 1.008000 0.423800 -4.1335E+00 -1.7745E+01 7.5363E+00 H2 5475 1.008000 0.423800 -4.9882E+00 -1.8816E+01 6.6476E+00 O6 5476 15.999400 -0.847600 1.6730E+01 -1.0686E+00 1.5248E+01 H1 5477 1.008000 0.423800 1.6400E+01 -5.6463E-01 1.4450E+01 H2 5478 1.008000 0.423800 1.7631E+01 -7.2465E-01 1.5511E+01 O6 5479 15.999400 -0.847600 -1.1810E+00 4.0292E+00 -1.4113E+01 H1 5480 1.008000 0.423800 -1.1781E+00 3.1509E+00 -1.4591E+01 H2 5481 1.008000 0.423800 -2.0901E+00 4.1983E+00 -1.3732E+01 O6 5482 15.999400 -0.847600 7.4386E+00 1.0236E+01 -1.1043E+01 H1 5483 1.008000 0.423800 6.6764E+00 1.0061E+01 -1.0420E+01 H2 5484 1.008000 0.423800 7.3841E+00 9.6097E+00 -1.1820E+01 O6 5485 15.999400 -0.847600 -1.8903E+01 6.8724E-01 -9.4086E-01 H1 5486 1.008000 0.423800 -1.9130E+01 6.2013E-02 -1.6875E+00 H2 5487 1.008000 0.423800 -1.8494E+01 1.7205E-01 -1.8748E-01 O6 5488 15.999400 -0.847600 7.6711E+00 -1.8356E+01 1.3155E+01 H1 5489 1.008000 0.423800 8.5717E+00 -1.8766E+01 1.3300E+01 H2 5490 1.008000 0.423800 6.9764E+00 -1.8905E+01 1.3620E+01 O6 5491 15.999400 -0.847600 7.2825E+00 -2.9269E+00 -4.0125E+00 H1 5492 1.008000 0.423800 8.2811E+00 -2.9729E+00 -3.9841E+00 H2 5493 1.008000 0.423800 6.8990E+00 -3.7608E+00 -3.6157E+00 O6 5494 15.999400 -0.847600 -4.0361E+00 -1.0665E+01 -1.6796E+01 H1 5495 1.008000 0.423800 -3.9157E+00 -9.6720E+00 -1.6808E+01 H2 5496 1.008000 0.423800 -3.5702E+00 -1.1047E+01 -1.5997E+01 O6 5497 15.999400 -0.847600 -5.7751E+00 -1.0886E+01 -8.4642E+00 H1 5498 1.008000 0.423800 -6.5494E+00 -1.0506E+01 -7.9581E+00 H2 5499 1.008000 0.423800 -4.9205E+00 -1.0560E+01 -8.0600E+00 O6 5500 15.999400 -0.847600 1.2046E+01 1.7271E+01 1.7019E+01 H1 5501 1.008000 0.423800 1.2400E+01 1.7446E+01 1.6100E+01 H2 5502 1.008000 0.423800 1.1048E+01 1.7341E+01 1.7011E+01 O6 5503 15.999400 -0.847600 -7.7645E+00 1.3708E+01 1.2026E+01 H1 5504 1.008000 0.423800 -6.9875E+00 1.4281E+01 1.1764E+01 H2 5505 1.008000 0.423800 -8.6144E+00 1.4217E+01 1.1889E+01 O6 5506 15.999400 -0.847600 8.3598E+00 -1.2192E+01 9.5312E+00 H1 5507 1.008000 0.423800 7.3694E+00 -1.2295E+01 9.4396E+00 H2 5508 1.008000 0.423800 8.8177E+00 -1.2731E+01 8.8240E+00 O6 5509 15.999400 -0.847600 1.5508E+01 -1.3867E+01 4.9876E+00 H1 5510 1.008000 0.423800 1.5412E+01 -1.4253E+01 5.9052E+00 H2 5511 1.008000 0.423800 1.6473E+01 -1.3677E+01 4.8059E+00 O6 5512 15.999400 -0.847600 -5.7649E+00 -1.4791E+01 -1.2077E+01 H1 5513 1.008000 0.423800 -5.7957E+00 -1.4330E+01 -1.1190E+01 H2 5514 1.008000 0.423800 -5.2126E+00 -1.4253E+01 -1.2713E+01 O6 5515 15.999400 -0.847600 3.5768E+00 -5.2281E+00 -3.4864E+00 H1 5516 1.008000 0.423800 3.2838E+00 -5.0703E+00 -4.4295E+00 H2 5517 1.008000 0.423800 2.9727E+00 -4.7323E+00 -2.8625E+00 O6 5518 15.999400 -0.847600 6.5664E+00 -1.2043E+01 -1.2230E+01 H1 5519 1.008000 0.423800 6.3930E+00 -1.2543E+01 -1.1382E+01 H2 5520 1.008000 0.423800 6.9411E+00 -1.1141E+01 -1.2014E+01 O6 5521 15.999400 -0.847600 8.6976E+00 7.6247E+00 1.6421E+01 H1 5522 1.008000 0.423800 8.6255E+00 7.3345E+00 1.7375E+01 H2 5523 1.008000 0.423800 9.5108E+00 7.2143E+00 1.6008E+01 O6 5524 15.999400 -0.847600 -2.7938E+00 -1.0296E+01 -9.8613E+00 H1 5525 1.008000 0.423800 -2.6381E+00 -1.1203E+01 -1.0253E+01 H2 5526 1.008000 0.423800 -3.0557E+00 -1.0389E+01 -8.9007E+00 O6 5527 15.999400 -0.847600 -4.8205E+00 1.6090E+01 1.7177E+01 H1 5528 1.008000 0.423800 -4.2748E+00 1.5479E+01 1.7751E+01 H2 5529 1.008000 0.423800 -4.2272E+00 1.6537E+01 1.6507E+01 O6 5530 15.999400 -0.847600 -1.9177E+01 -1.2721E+00 -1.4281E+01 H1 5531 1.008000 0.423800 -1.9196E+01 -2.8837E-01 -1.4459E+01 H2 5532 1.008000 0.423800 1.9098E+01 -1.6956E+00 -1.4660E+01 O6 5533 15.999400 -0.847600 1.6013E+00 -1.0741E+01 1.1837E+00 H1 5534 1.008000 0.423800 1.4624E+00 -1.0284E+01 2.0620E+00 H2 5535 1.008000 0.423800 8.5024E-01 -1.1380E+01 1.0185E+00 O6 5536 15.999400 -0.847600 -5.5248E+00 1.5236E+01 -4.0464E+00 H1 5537 1.008000 0.423800 -5.5792E+00 1.4259E+01 -3.8422E+00 H2 5538 1.008000 0.423800 -4.7099E+00 1.5622E+01 -3.6139E+00 O6 5539 15.999400 -0.847600 2.7661E+00 -1.8177E+00 -2.9780E+00 H1 5540 1.008000 0.423800 2.5145E+00 -2.5168E+00 -3.6473E+00 H2 5541 1.008000 0.423800 3.4288E+00 -2.1975E+00 -2.3326E+00 O6 5542 15.999400 -0.847600 1.3326E+01 1.6798E+00 1.4018E+01 H1 5543 1.008000 0.423800 1.4108E+01 2.2764E+00 1.4196E+01 H2 5544 1.008000 0.423800 1.3030E+01 1.2533E+00 1.4873E+01 O6 5545 15.999400 -0.847600 -1.3405E+01 6.2313E+00 1.1254E+01 H1 5546 1.008000 0.423800 -1.3231E+01 6.5950E+00 1.2169E+01 H2 5547 1.008000 0.423800 -1.4147E+01 5.5620E+00 1.1296E+01 O6 5548 15.999400 -0.847600 8.4664E+00 -1.3009E+01 1.8284E+01 H1 5549 1.008000 0.423800 8.0004E+00 -1.3374E+01 1.7478E+01 H2 5550 1.008000 0.423800 8.7557E+00 -1.2069E+01 1.8105E+01 O6 5551 15.999400 -0.847600 2.7603E+00 8.2935E+00 -1.8677E+01 H1 5552 1.008000 0.423800 2.1472E+00 8.7217E+00 -1.8013E+01 H2 5553 1.008000 0.423800 2.2240E+00 7.9236E+00 -1.9436E+01 O6 5554 15.999400 -0.847600 8.2987E+00 9.4949E+00 -2.8868E+00 H1 5555 1.008000 0.423800 7.7783E+00 8.9796E+00 -2.2058E+00 H2 5556 1.008000 0.423800 8.4544E+00 1.0425E+01 -2.5535E+00 O6 5557 15.999400 -0.847600 -8.9233E+00 1.2916E+01 -6.9223E+00 H1 5558 1.008000 0.423800 -8.9040E+00 1.2893E+01 -5.9227E+00 H2 5559 1.008000 0.423800 -8.7386E+00 1.2000E+01 -7.2799E+00 O6 5560 15.999400 -0.847600 3.5956E+00 1.4196E+01 -1.3729E+01 H1 5561 1.008000 0.423800 3.9649E+00 1.3295E+01 -1.3501E+01 H2 5562 1.008000 0.423800 3.7543E+00 1.4386E+01 -1.4698E+01 O6 5563 15.999400 -0.847600 -9.3115E+00 1.5050E+01 -1.3997E-01 H1 5564 1.008000 0.423800 -9.5062E+00 1.4482E+01 6.5930E-01 H2 5565 1.008000 0.423800 -9.9337E+00 1.4804E+01 -8.8329E-01 O6 5566 15.999400 -0.847600 4.2798E+00 -1.4268E+01 1.8585E+01 H1 5567 1.008000 0.423800 4.8058E+00 -1.4113E+01 1.9421E+01 H2 5568 1.008000 0.423800 3.7602E+00 -1.5118E+01 1.8670E+01 O6 5569 15.999400 -0.847600 1.4677E+01 4.1301E+00 9.4743E+00 H1 5570 1.008000 0.423800 1.4205E+01 3.2591E+00 9.6091E+00 H2 5571 1.008000 0.423800 1.4308E+01 4.5881E+00 8.6658E+00 O6 5572 15.999400 -0.847600 1.0200E+00 -1.3220E+01 -1.3169E+00 H1 5573 1.008000 0.423800 5.8723E-01 -1.3243E+01 -4.1562E-01 H2 5574 1.008000 0.423800 1.9099E+00 -1.3674E+01 -1.2704E+00 O6 5575 15.999400 -0.847600 1.8014E+01 -1.5713E+01 -1.8216E+01 H1 5576 1.008000 0.423800 1.7159E+01 -1.5476E+01 -1.7754E+01 H2 5577 1.008000 0.423800 1.8376E+01 -1.4905E+01 -1.8681E+01 O6 5578 15.999400 -0.847600 -1.1730E+01 -1.3130E+01 -4.4230E+00 H1 5579 1.008000 0.423800 -1.0978E+01 -1.3370E+01 -3.8089E+00 H2 5580 1.008000 0.423800 -1.2276E+01 -1.3945E+01 -4.6153E+00 O6 5581 15.999400 -0.847600 1.2285E+01 -4.2565E+00 1.8482E+00 H1 5582 1.008000 0.423800 1.3024E+01 -4.4782E+00 1.2115E+00 H2 5583 1.008000 0.423800 1.1754E+01 -5.0810E+00 2.0422E+00 O6 5584 15.999400 -0.847600 -1.3234E+01 -9.3815E+00 1.9973E+00 H1 5585 1.008000 0.423800 -1.2346E+01 -9.2462E+00 1.5576E+00 H2 5586 1.008000 0.423800 -1.3362E+01 -8.6918E+00 2.7101E+00 O6 5587 15.999400 -0.847600 -8.8506E-02 -1.0665E+00 -4.6903E+00 H1 5588 1.008000 0.423800 -1.0128E+00 -1.4439E+00 -4.7487E+00 H2 5589 1.008000 0.423800 -1.3690E-01 -1.0865E-01 -4.4073E+00 O6 5590 15.999400 -0.847600 3.4558E+00 -1.0113E+01 -1.6379E+01 H1 5591 1.008000 0.423800 2.5178E+00 -9.9298E+00 -1.6084E+01 H2 5592 1.008000 0.423800 3.4425E+00 -1.0580E+01 -1.7263E+01 O6 5593 15.999400 -0.847600 -5.3640E+00 1.2623E+01 2.6880E+00 H1 5594 1.008000 0.423800 -5.7435E+00 1.3355E+01 3.2539E+00 H2 5595 1.008000 0.423800 -5.0469E+00 1.3004E+01 1.8193E+00 O6 5596 15.999400 -0.847600 -1.3075E+01 -1.8152E+01 7.6306E+00 H1 5597 1.008000 0.423800 -1.3854E+01 -1.8038E+01 8.2470E+00 H2 5598 1.008000 0.423800 -1.3400E+01 -1.8455E+01 6.7350E+00 O6 5599 15.999400 -0.847600 1.3441E+01 -6.4060E+00 1.3310E+01 H1 5600 1.008000 0.423800 1.3080E+01 -6.6759E+00 1.2417E+01 H2 5601 1.008000 0.423800 1.2842E+01 -6.7553E+00 1.4031E+01 O6 5602 15.999400 -0.847600 4.3346E+00 1.1881E+01 8.1346E+00 H1 5603 1.008000 0.423800 4.4525E+00 1.2122E+01 9.0980E+00 H2 5604 1.008000 0.423800 3.5648E+00 1.1250E+01 8.0406E+00 O6 5605 15.999400 -0.847600 2.9998E+00 -6.2245E-01 -1.7137E+01 H1 5606 1.008000 0.423800 2.5542E+00 -1.5176E+00 -1.7124E+01 H2 5607 1.008000 0.423800 2.8355E+00 -1.5596E-01 -1.6268E+01 O6 5608 15.999400 -0.847600 -1.0806E+01 4.9007E-01 1.6150E+01 H1 5609 1.008000 0.423800 -1.0502E+01 -4.4809E-01 1.6316E+01 H2 5610 1.008000 0.423800 -1.1752E+01 5.9231E-01 1.6457E+01 O6 5611 15.999400 -0.847600 -2.3708E+00 6.1036E+00 1.2832E+01 H1 5612 1.008000 0.423800 -2.3420E+00 5.9093E+00 1.3812E+01 H2 5613 1.008000 0.423800 -3.3053E+00 6.3409E+00 1.2566E+01 O6 5614 15.999400 -0.847600 -1.8842E+01 -6.8283E-01 -3.5019E+00 H1 5615 1.008000 0.423800 -1.9203E+01 -2.1947E-01 -4.3112E+00 H2 5616 1.008000 0.423800 -1.8927E+01 -1.6723E+00 -3.6185E+00 O6 5617 15.999400 -0.847600 -7.2833E+00 1.6383E+00 -1.0351E+01 H1 5618 1.008000 0.423800 -7.0294E+00 9.2407E-01 -9.6991E+00 H2 5619 1.008000 0.423800 -8.2798E+00 1.7071E+00 -1.0399E+01 O6 5620 15.999400 -0.847600 1.2334E+01 -4.6858E+00 -1.3254E+01 H1 5621 1.008000 0.423800 1.1387E+01 -5.0043E+00 -1.3217E+01 H2 5622 1.008000 0.423800 1.2848E+01 -5.2431E+00 -1.3907E+01 O6 5623 15.999400 -0.847600 -1.1078E+00 1.3241E+01 -4.2777E+00 H1 5624 1.008000 0.423800 -4.0657E-01 1.3333E+01 -4.9847E+00 H2 5625 1.008000 0.423800 -8.9662E-01 1.2452E+01 -3.6997E+00 O6 5626 15.999400 -0.847600 1.1141E+01 -1.8102E+01 -7.7956E+00 H1 5627 1.008000 0.423800 1.1981E+01 -1.8485E+01 -7.4113E+00 H2 5628 1.008000 0.423800 1.0950E+01 -1.8535E+01 -8.6764E+00 O6 5629 15.999400 -0.847600 9.0969E+00 -1.4423E+01 -1.7206E+01 H1 5630 1.008000 0.423800 8.4787E+00 -1.4025E+01 -1.6528E+01 H2 5631 1.008000 0.423800 9.6589E+00 -1.5127E+01 -1.6772E+01 O6 5632 15.999400 -0.847600 -7.4630E-01 1.1235E+01 1.5766E+01 H1 5633 1.008000 0.423800 -2.3599E-03 1.1894E+01 1.5880E+01 H2 5634 1.008000 0.423800 -7.8356E-01 1.0936E+01 1.4812E+01 O6 5635 15.999400 -0.847600 1.3382E+01 -1.9013E+01 -1.1755E+01 H1 5636 1.008000 0.423800 1.3765E+01 -1.9363E+01 -1.2610E+01 H2 5637 1.008000 0.423800 1.4003E+01 -1.8333E+01 -1.1366E+01 O6 5638 15.999400 -0.847600 -6.8269E+00 -4.9246E+00 -1.2831E+01 H1 5639 1.008000 0.423800 -7.3696E+00 -5.5655E+00 -1.2288E+01 H2 5640 1.008000 0.423800 -7.3315E+00 -4.0678E+00 -1.2938E+01 O6 5641 15.999400 -0.847600 1.8492E+00 8.9968E+00 1.1178E+01 H1 5642 1.008000 0.423800 1.7705E+00 9.7394E+00 1.1843E+01 H2 5643 1.008000 0.423800 1.0881E+00 8.3595E+00 1.1299E+01 O6 5644 15.999400 -0.847600 8.0705E+00 1.2644E+01 1.2659E+01 H1 5645 1.008000 0.423800 7.7319E+00 1.3074E+01 1.3496E+01 H2 5646 1.008000 0.423800 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-8.9769E+00 3.5281E+00 H1 5663 1.008000 0.423800 7.3543E+00 -8.5325E+00 4.3009E+00 H2 5664 1.008000 0.423800 6.6160E+00 -8.2842E+00 2.8656E+00 O6 5665 15.999400 -0.847600 7.4542E+00 9.8623E-01 1.0677E+01 H1 5666 1.008000 0.423800 7.9066E+00 1.5901E+00 1.0021E+01 H2 5667 1.008000 0.423800 6.6866E+00 1.4683E+00 1.1100E+01 O6 5668 15.999400 -0.847600 1.1502E+01 4.1490E+00 1.9043E+01 H1 5669 1.008000 0.423800 1.2464E+01 3.9544E+00 1.9234E+01 H2 5670 1.008000 0.423800 1.1171E+01 4.8470E+00 -1.9420E+01 O6 5671 15.999400 -0.847600 -3.3343E+00 5.8850E+00 1.8202E+01 H1 5672 1.008000 0.423800 -4.2829E+00 5.7418E+00 1.7920E+01 H2 5673 1.008000 0.423800 -3.3063E+00 6.5420E+00 1.8956E+01 O6 5674 15.999400 -0.847600 5.4483E+00 1.3713E+01 6.4448E+00 H1 5675 1.008000 0.423800 4.9291E+00 1.4564E+01 6.5284E+00 H2 5676 1.008000 0.423800 4.9387E+00 1.2968E+01 6.8749E+00 O6 5677 15.999400 -0.847600 -1.6711E+01 -7.8579E+00 1.6033E+01 H1 5678 1.008000 0.423800 -1.5807E+01 -8.1170E+00 1.6371E+01 H2 5679 1.008000 0.423800 -1.7136E+01 -7.2180E+00 1.6673E+01 O6 5680 15.999400 -0.847600 -7.4700E+00 -1.2803E+01 -7.5758E-01 H1 5681 1.008000 0.423800 -6.8781E+00 -1.3500E+01 -3.5402E-01 H2 5682 1.008000 0.423800 -7.6612E+00 -1.2094E+01 -7.8152E-02 O6 5683 15.999400 -0.847600 5.0860E+00 -1.6265E+01 5.1812E+00 H1 5684 1.008000 0.423800 5.4512E+00 -1.5994E+01 6.0718E+00 H2 5685 1.008000 0.423800 5.1423E+00 -1.7259E+01 5.0865E+00 O6 5686 15.999400 -0.847600 4.3077E+00 -6.8647E+00 -1.0184E+01 H1 5687 1.008000 0.423800 3.4247E+00 -7.0042E+00 -1.0632E+01 H2 5688 1.008000 0.423800 4.9016E+00 -7.6482E+00 -1.0366E+01 O6 5689 15.999400 -0.847600 -7.4016E+00 1.3555E+01 5.5346E+00 H1 5690 1.008000 0.423800 -6.9476E+00 1.4122E+01 4.8472E+00 H2 5691 1.008000 0.423800 -7.0435E+00 1.3780E+01 6.4409E+00 O6 5692 15.999400 -0.847600 1.6792E+01 -1.3191E+01 -6.5399E+00 H1 5693 1.008000 0.423800 1.6367E+01 -1.2412E+01 -6.0788E+00 H2 5694 1.008000 0.423800 1.7442E+01 -1.3631E+01 -5.9201E+00 O6 5695 15.999400 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-3.0467E+00 -3.3509E+00 H2 5712 1.008000 0.423800 9.7815E+00 -1.8245E+00 -3.4964E+00 O6 5713 15.999400 -0.847600 1.4007E+01 9.2623E+00 -1.1727E+01 H1 5714 1.008000 0.423800 1.4317E+01 9.6261E+00 -1.2606E+01 H2 5715 1.008000 0.423800 1.3671E+01 8.3290E+00 -1.1853E+01 O6 5716 15.999400 -0.847600 1.3664E+01 -1.3955E+01 1.2124E+01 H1 5717 1.008000 0.423800 1.3545E+01 -1.4774E+01 1.2686E+01 H2 5718 1.008000 0.423800 1.3080E+01 -1.3223E+01 1.2473E+01 O6 5719 15.999400 -0.847600 1.1098E+01 1.4002E+01 1.7893E+01 H1 5720 1.008000 0.423800 1.1796E+01 1.3713E+01 1.7237E+01 H2 5721 1.008000 0.423800 1.1377E+01 1.4862E+01 1.8320E+01 O6 5722 15.999400 -0.847600 9.7827E+00 1.2089E+01 6.2823E+00 H1 5723 1.008000 0.423800 9.6642E+00 1.1708E+01 5.3652E+00 H2 5724 1.008000 0.423800 9.3238E+00 1.2976E+01 6.3368E+00 O6 5725 15.999400 -0.847600 -6.9473E+00 1.8079E+01 7.7769E+00 H1 5726 1.008000 0.423800 -6.0880E+00 1.8166E+01 7.2728E+00 H2 5727 1.008000 0.423800 -7.5542E+00 1.8836E+01 7.5341E+00 O6 5728 15.999400 -0.847600 1.6079E+01 -1.2822E+01 -1.3791E+01 H1 5729 1.008000 0.423800 1.5731E+01 -1.3311E+01 -1.2991E+01 H2 5730 1.008000 0.423800 1.7033E+01 -1.3078E+01 -1.3949E+01 O6 5731 15.999400 -0.847600 1.4758E+01 -1.1201E+01 -6.5683E-01 H1 5732 1.008000 0.423800 1.4698E+01 -1.0235E+01 -4.0238E-01 H2 5733 1.008000 0.423800 1.4244E+01 -1.1751E+01 1.4269E-03 O6 5734 15.999400 -0.847600 9.6013E+00 -1.6761E+01 -1.1869E+01 H1 5735 1.008000 0.423800 9.5282E+00 -1.5853E+01 -1.2282E+01 H2 5736 1.008000 0.423800 8.7548E+00 -1.6974E+01 -1.1382E+01 O6 5737 15.999400 -0.847600 -1.5791E+01 2.1470E+00 -1.3198E+01 H1 5738 1.008000 0.423800 -1.6041E+01 1.6439E+00 -1.4025E+01 H2 5739 1.008000 0.423800 -1.5828E+01 3.1294E+00 -1.3381E+01 O6 5740 15.999400 -0.847600 1.0363E+01 3.3059E-02 5.6175E-02 H1 5741 1.008000 0.423800 9.3714E+00 1.5723E-01 8.6978E-02 H2 5742 1.008000 0.423800 1.0619E+01 -7.4635E-01 6.2790E-01 O6 5743 15.999400 -0.847600 -1.5841E+01 1.0878E+01 1.3210E+01 H1 5744 1.008000 0.423800 -1.6296E+01 1.1488E+01 1.3859E+01 H2 5745 1.008000 0.423800 -1.5973E+01 1.1222E+01 1.2280E+01 O6 5746 15.999400 -0.847600 7.5067E+00 1.1208E+00 -8.8785E+00 H1 5747 1.008000 0.423800 7.4821E+00 6.0805E-01 -8.0203E+00 H2 5748 1.008000 0.423800 8.3834E+00 9.6637E-01 -9.3340E+00 O6 5749 15.999400 -0.847600 3.8670E+00 -1.7211E+01 -7.8380E-01 H1 5750 1.008000 0.423800 4.7775E+00 -1.6848E+01 -5.8561E-01 H2 5751 1.008000 0.423800 3.9189E+00 -1.7832E+01 -1.5654E+00 O6 5752 15.999400 -0.847600 1.7731E+01 -5.3208E+00 -2.1037E+00 H1 5753 1.008000 0.423800 1.7957E+01 -6.2096E+00 -2.5027E+00 H2 5754 1.008000 0.423800 1.6973E+01 -4.9110E+00 -2.6105E+00 O6 5755 15.999400 -0.847600 -1.7908E+00 -1.8144E+01 -1.3804E+01 H1 5756 1.008000 0.423800 -1.7466E+00 -1.8434E+01 -1.4760E+01 H2 5757 1.008000 0.423800 -1.7657E+00 -1.8948E+01 -1.3210E+01 O6 5758 15.999400 -0.847600 7.0654E+00 1.1156E+01 -1.8121E+01 H1 5759 1.008000 0.423800 6.1460E+00 1.0875E+01 -1.8396E+01 H2 5760 1.008000 0.423800 7.7027E+00 1.0399E+01 -1.8267E+01 O6 5761 15.999400 -0.847600 1.1011E+01 1.4865E+01 -1.0415E+01 H1 5762 1.008000 0.423800 1.1593E+01 1.5677E+01 -1.0464E+01 H2 5763 1.008000 0.423800 1.1072E+01 1.4466E+01 -9.4999E+00 O6 5764 15.999400 -0.847600 -1.4060E+00 1.5994E+01 1.0194E+01 H1 5765 1.008000 0.423800 -1.3084E+00 1.5426E+01 9.3771E+00 H2 5766 1.008000 0.423800 -6.8672E-01 1.6689E+01 1.0206E+01 O6 5767 15.999400 -0.847600 -1.3340E+01 7.5391E+00 -3.8596E+00 H1 5768 1.008000 0.423800 -1.2640E+01 7.4710E+00 -3.1485E+00 H2 5769 1.008000 0.423800 -1.3708E+01 8.4688E+00 -3.8772E+00 O6 5770 15.999400 -0.847600 1.7917E+01 -3.3044E+00 1.4306E+01 H1 5771 1.008000 0.423800 1.7753E+01 -3.5490E+00 1.3351E+01 H2 5772 1.008000 0.423800 1.7159E+01 -2.7456E+00 1.4642E+01 O6 5773 15.999400 -0.847600 1.9314E+01 4.8417E+00 -1.2827E+01 H1 5774 1.008000 0.423800 -1.9102E+01 4.3688E+00 -1.2268E+01 H2 5775 1.008000 0.423800 1.9096E+01 5.7241E+00 -1.2410E+01 O6 5776 15.999400 -0.847600 -1.0089E+01 -7.6376E+00 -1.5648E+01 H1 5777 1.008000 0.423800 -1.0525E+01 -6.7632E+00 -1.5434E+01 H2 5778 1.008000 0.423800 -1.0782E+01 -8.3580E+00 -1.5673E+01 O6 5779 15.999400 -0.847600 1.3717E+01 6.7762E+00 -4.7861E+00 H1 5780 1.008000 0.423800 1.3339E+01 5.8527E+00 -4.7173E+00 H2 5781 1.008000 0.423800 1.4710E+01 6.7234E+00 -4.8919E+00 O6 5782 15.999400 -0.847600 1.5451E+01 3.0971E+00 1.4764E+01 H1 5783 1.008000 0.423800 1.5873E+01 3.8822E+00 1.4311E+01 H2 5784 1.008000 0.423800 1.5077E+01 3.3831E+00 1.5647E+01 O6 5785 15.999400 -0.847600 1.3480E+01 -1.9063E+01 -6.8828E+00 H1 5786 1.008000 0.423800 1.3473E+01 1.9180E+01 -7.4021E+00 H2 5787 1.008000 0.423800 1.3289E+01 -1.9257E+01 -5.9204E+00 O6 5788 15.999400 -0.847600 7.3436E+00 1.3621E+01 1.0089E+01 H1 5789 1.008000 0.423800 8.3130E+00 1.3414E+01 9.9571E+00 H2 5790 1.008000 0.423800 6.7904E+00 1.2975E+01 9.5636E+00 O6 5791 15.999400 -0.847600 1.6550E+01 -1.2466E+01 7.7898E+00 H1 5792 1.008000 0.423800 1.7090E+01 -1.2588E+01 6.9572E+00 H2 5793 1.008000 0.423800 1.5701E+01 -1.1986E+01 7.5686E+00 O6 5794 15.999400 -0.847600 -1.6094E+01 -1.6389E+00 1.2535E+01 H1 5795 1.008000 0.423800 -1.6982E+01 -2.0521E+00 1.2736E+01 H2 5796 1.008000 0.423800 -1.6048E+01 -7.2938E-01 1.2948E+01 O6 5797 15.999400 -0.847600 -1.4336E+01 -1.4370E+01 1.9494E+00 H1 5798 1.008000 0.423800 -1.4922E+01 -1.5135E+01 2.2166E+00 H2 5799 1.008000 0.423800 -1.4702E+01 -1.3943E+01 1.1226E+00 O6 5800 15.999400 -0.847600 1.7775E+01 1.7283E+00 1.7946E+01 H1 5801 1.008000 0.423800 1.6871E+01 1.3027E+00 1.7975E+01 H2 5802 1.008000 0.423800 1.8346E+01 1.2527E+00 1.7277E+01 O6 5803 15.999400 -0.847600 1.2860E+01 -4.3009E+00 9.6587E+00 H1 5804 1.008000 0.423800 1.3662E+01 -4.7403E+00 9.2539E+00 H2 5805 1.008000 0.423800 1.3066E+01 -3.3409E+00 9.8483E+00 O6 5806 15.999400 -0.847600 3.5308E+00 -1.2527E+01 1.0186E+00 H1 5807 1.008000 0.423800 2.8037E+00 -1.1854E+01 8.8660E-01 H2 5808 1.008000 0.423800 4.3686E+00 -1.2062E+01 1.3039E+00 O6 5809 15.999400 -0.847600 1.6530E+00 9.3875E-01 -1.2023E+01 H1 5810 1.008000 0.423800 1.4492E+00 1.8079E+00 -1.1572E+01 H2 5811 1.008000 0.423800 2.4259E+00 4.9926E-01 -1.1565E+01 O6 5812 15.999400 -0.847600 -1.2871E+00 -1.9012E+01 -9.1969E+00 H1 5813 1.008000 0.423800 -1.4937E+00 -1.8795E+01 -8.2429E+00 H2 5814 1.008000 0.423800 -1.6636E+00 -1.8301E+01 -9.7898E+00 O6 5815 15.999400 -0.847600 5.1641E+00 1.2056E+01 -1.3288E+01 H1 5816 1.008000 0.423800 6.1482E+00 1.1997E+01 -1.3121E+01 H2 5817 1.008000 0.423800 4.6999E+00 1.1307E+01 -1.2816E+01 O6 5818 15.999400 -0.847600 3.2566E+00 9.7697E+00 1.4822E+01 H1 5819 1.008000 0.423800 2.7716E+00 1.0145E+01 1.4032E+01 H2 5820 1.008000 0.423800 4.1420E+00 1.0225E+01 1.4917E+01 O6 5821 15.999400 -0.847600 6.7871E+00 -1.9356E+01 -3.6928E+00 H1 5822 1.008000 0.423800 7.6845E+00 -1.8924E+01 -3.7831E+00 H2 5823 1.008000 0.423800 6.1202E+00 -1.8678E+01 -3.3852E+00 O6 5824 15.999400 -0.847600 1.7043E+01 1.8298E+01 1.6396E+01 H1 5825 1.008000 0.423800 1.6566E+01 1.8365E+01 1.7273E+01 H2 5826 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-1.4805E+01 9.7677E+00 -7.4983E+00 H1 5843 1.008000 0.423800 -1.3881E+01 9.3882E+00 -7.5342E+00 H2 5844 1.008000 0.423800 -1.5473E+01 9.0317E+00 -7.6137E+00 O6 5845 15.999400 -0.847600 -5.2962E-01 -1.6091E+01 -1.6646E+01 H1 5846 1.008000 0.423800 -3.5967E-02 -1.6855E+01 -1.6231E+01 H2 5847 1.008000 0.423800 -6.6175E-01 -1.5370E+01 -1.5965E+01 O6 5848 15.999400 -0.847600 -5.7500E+00 -1.3700E+01 1.2831E+01 H1 5849 1.008000 0.423800 -6.3581E+00 -1.4493E+01 1.2863E+01 H2 5850 1.008000 0.423800 -5.9959E+00 -1.3062E+01 1.3561E+01 O6 5851 15.999400 -0.847600 -1.3951E+01 1.9209E+01 1.4193E+01 H1 5852 1.008000 0.423800 -1.4558E+01 1.8414E+01 1.4188E+01 H2 5853 1.008000 0.423800 -1.3788E+01 1.9497E+01 1.5137E+01 O6 5854 15.999400 -0.847600 8.8161E+00 2.1206E+00 -1.9292E+01 H1 5855 1.008000 0.423800 8.9951E+00 2.4208E+00 1.8868E+01 H2 5856 1.008000 0.423800 7.9392E+00 2.4907E+00 -1.8985E+01 O6 5857 15.999400 -0.847600 3.4992E+00 1.7424E+01 -3.1820E+00 H1 5858 1.008000 0.423800 2.5881E+00 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O6 5875 15.999400 -0.847600 1.6023E+01 -1.2287E+01 1.9528E+01 H1 5876 1.008000 0.423800 1.6509E+01 -1.2395E+01 -1.8703E+01 H2 5877 1.008000 0.423800 1.5724E+01 -1.3183E+01 1.9199E+01 O6 5878 15.999400 -0.847600 -1.3447E+01 1.6285E+01 -1.4238E+01 H1 5879 1.008000 0.423800 -1.2903E+01 1.5807E+01 -1.4928E+01 H2 5880 1.008000 0.423800 -1.3812E+01 1.7130E+01 -1.4629E+01 O6 5881 15.999400 -0.847600 1.0051E+01 1.9224E+01 1.9614E+00 H1 5882 1.008000 0.423800 1.0091E+01 1.8265E+01 2.2420E+00 H2 5883 1.008000 0.423800 9.1141E+00 -1.9538E+01 2.0563E+00 O6 5884 15.999400 -0.847600 -1.8053E+01 2.7765E+00 -1.1686E+01 H1 5885 1.008000 0.423800 -1.7210E+01 2.3978E+00 -1.2068E+01 H2 5886 1.008000 0.423800 -1.8693E+01 2.0336E+00 -1.1489E+01 O6 5887 15.999400 -0.847600 1.8855E+01 1.2860E+01 -1.1175E+01 H1 5888 1.008000 0.423800 -1.9266E+01 1.3054E+01 -1.1079E+01 H2 5889 1.008000 0.423800 1.8343E+01 1.3389E+01 -1.0499E+01 O6 5890 15.999400 -0.847600 1.2547E+00 2.5260E+00 4.9907E+00 H1 5891 1.008000 0.423800 8.8304E-01 1.7991E+00 5.5681E+00 H2 5892 1.008000 0.423800 2.1112E+00 2.2178E+00 4.5767E+00 O6 5893 15.999400 -0.847600 4.9422E+00 1.7653E+00 1.5915E+01 H1 5894 1.008000 0.423800 4.2365E+00 2.0599E+00 1.6560E+01 H2 5895 1.008000 0.423800 5.5828E+00 2.5166E+00 1.5757E+01 O6 5896 15.999400 -0.847600 1.9749E+00 -1.4476E+01 2.3485E+00 H1 5897 1.008000 0.423800 2.5188E+00 -1.3766E+01 1.9012E+00 H2 5898 1.008000 0.423800 1.9855E+00 -1.4331E+01 3.3378E+00 O6 5899 15.999400 -0.847600 -1.5068E+01 6.3564E-01 -1.8022E+01 H1 5900 1.008000 0.423800 -1.5645E+01 1.3291E+00 -1.8454E+01 H2 5901 1.008000 0.423800 -1.4106E+01 8.4685E-01 -1.8196E+01 O6 5902 15.999400 -0.847600 1.9242E-01 2.3571E+00 -1.8660E+00 H1 5903 1.008000 0.423800 -7.5757E-02 1.8442E+00 -2.6815E+00 H2 5904 1.008000 0.423800 6.1388E-01 3.2216E+00 -2.1397E+00 O6 5905 15.999400 -0.847600 4.4566E+00 4.3715E+00 -7.1832E+00 H1 5906 1.008000 0.423800 3.6912E+00 3.8457E+00 -7.5544E+00 H2 5907 1.008000 0.423800 4.4989E+00 4.2442E+00 -6.1922E+00 O6 5908 15.999400 -0.847600 -2.5914E-01 -1.3426E+00 -1.5095E+01 H1 5909 1.008000 0.423800 -3.3011E-02 -1.5593E+00 -1.4145E+01 H2 5910 1.008000 0.423800 4.6154E-01 -1.6877E+00 -1.5696E+01 O6 5911 15.999400 -0.847600 -4.3210E+00 -1.6077E+01 -1.6090E+00 H1 5912 1.008000 0.423800 -5.2694E+00 -1.6394E+01 -1.6272E+00 H2 5913 1.008000 0.423800 -4.2591E+00 -1.5242E+01 -1.0625E+00 O6 5914 15.999400 -0.847600 -4.5391E-01 -1.3362E-01 1.7656E+01 H1 5915 1.008000 0.423800 -1.0018E+00 -9.5125E-01 1.7479E+01 H2 5916 1.008000 0.423800 -9.7170E-01 6.7891E-01 1.7388E+01 O6 5917 15.999400 -0.847600 6.9642E+00 -1.5897E+01 -1.3548E+01 H1 5918 1.008000 0.423800 7.6268E+00 -1.5237E+01 -1.3194E+01 H2 5919 1.008000 0.423800 7.4053E+00 -1.6477E+01 -1.4233E+01 O6 5920 15.999400 -0.847600 9.5129E+00 -1.6646E+01 8.9341E+00 H1 5921 1.008000 0.423800 9.8366E+00 -1.7261E+01 8.2148E+00 H2 5922 1.008000 0.423800 1.0067E+01 -1.6775E+01 9.7567E+00 O6 5923 15.999400 -0.847600 1.3817E+01 1.1415E+01 -6.4637E+00 H1 5924 1.008000 0.423800 1.4540E+01 1.0923E+01 -5.9794E+00 H2 5925 1.008000 0.423800 1.3120E+01 1.0767E+01 -6.7710E+00 O6 5926 15.999400 -0.847600 -1.4275E+01 -1.2638E+01 1.5838E+01 H1 5927 1.008000 0.423800 -1.3925E+01 -1.1732E+01 1.6075E+01 H2 5928 1.008000 0.423800 -1.3686E+01 -1.3052E+01 1.5144E+01 O6 5929 15.999400 -0.847600 -1.6085E+01 4.8793E+00 -1.4650E+01 H1 5930 1.008000 0.423800 -1.5674E+01 5.6241E+00 -1.4124E+01 H2 5931 1.008000 0.423800 -1.7055E+01 5.0725E+00 -1.4799E+01 O6 5932 15.999400 -0.847600 -8.7398E+00 2.9059E+00 -2.3251E+00 H1 5933 1.008000 0.423800 -7.8568E+00 2.8499E+00 -1.8591E+00 H2 5934 1.008000 0.423800 -9.3575E+00 2.2132E+00 -1.9530E+00 O6 5935 15.999400 -0.847600 1.2756E+01 -3.2215E+00 -1.7857E+01 H1 5936 1.008000 0.423800 1.2711E+01 -2.9431E+00 -1.6897E+01 H2 5937 1.008000 0.423800 1.3371E+01 -2.6089E+00 -1.8353E+01 O6 5938 15.999400 -0.847600 -2.6595E+00 1.6678E+00 -1.8112E+01 H1 5939 1.008000 0.423800 -3.2514E+00 1.9555E+00 -1.8865E+01 H2 5940 1.008000 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-7.2055E+00 -1.8624E+00 H1 5957 1.008000 0.423800 1.1374E+01 -6.7718E+00 -1.2678E+00 H2 5958 1.008000 0.423800 1.1998E+01 -8.1987E+00 -1.7586E+00 O6 5959 15.999400 -0.847600 -1.6923E+01 -6.5674E-01 1.8628E+01 H1 5960 1.008000 0.423800 -1.5994E+01 -9.3496E-01 1.8384E+01 H2 5961 1.008000 0.423800 -1.6909E+01 2.8079E-01 1.8976E+01 O6 5962 15.999400 -0.847600 1.6630E+01 -1.0903E+01 1.3040E+01 H1 5963 1.008000 0.423800 1.7494E+01 -1.0582E+01 1.2651E+01 H2 5964 1.008000 0.423800 1.6717E+01 -1.0972E+01 1.4034E+01 O6 5965 15.999400 -0.847600 -1.3439E+00 8.4207E+00 7.9329E+00 H1 5966 1.008000 0.423800 -2.1243E+00 8.5919E+00 8.5344E+00 H2 5967 1.008000 0.423800 -7.5489E-01 9.2285E+00 7.9132E+00 O6 5968 15.999400 -0.847600 5.5486E+00 -4.8490E+00 -1.7649E+01 H1 5969 1.008000 0.423800 5.7855E+00 -3.9196E+00 -1.7932E+01 H2 5970 1.008000 0.423800 5.3733E+00 -4.8631E+00 -1.6665E+01 O6 5971 15.999400 -0.847600 -9.7300E+00 -3.6760E+00 1.9337E+01 H1 5972 1.008000 0.423800 -8.9050E+00 -3.6165E+00 1.8775E+01 H2 5973 1.008000 0.423800 -9.4976E+00 -4.0602E+00 -1.8867E+01 O6 5974 15.999400 -0.847600 7.5902E-01 7.4607E+00 1.8889E+01 H1 5975 1.008000 0.423800 8.2528E-01 6.9953E+00 1.8007E+01 H2 5976 1.008000 0.423800 7.6569E-01 6.7832E+00 -1.9473E+01 O6 5977 15.999400 -0.847600 6.6733E+00 -1.5329E+00 1.3675E+01 H1 5978 1.008000 0.423800 6.5475E+00 -8.4659E-01 1.2959E+01 H2 5979 1.008000 0.423800 6.8631E+00 -1.0764E+00 1.4544E+01 O6 5980 15.999400 -0.847600 9.3006E+00 7.4157E+00 1.9113E+01 H1 5981 1.008000 0.423800 1.0191E+01 7.6128E+00 1.9523E+01 H2 5982 1.008000 0.423800 8.5986E+00 7.9723E+00 -1.9540E+01 O6 5983 15.999400 -0.847600 1.6504E+01 -8.0109E-01 -1.0334E+01 H1 5984 1.008000 0.423800 1.7265E+01 -6.3349E-01 -9.7072E+00 H2 5985 1.008000 0.423800 1.6827E+01 -1.3322E+00 -1.1117E+01 O6 5986 15.999400 -0.847600 5.5125E+00 -8.9134E+00 -2.4785E+00 H1 5987 1.008000 0.423800 4.5584E+00 -8.6442E+00 -2.6096E+00 H2 5988 1.008000 0.423800 6.1115E+00 -8.1589E+00 -2.7465E+00 O6 5989 15.999400 -0.847600 8.8382E+00 2.4602E+00 -1.2859E+01 H1 5990 1.008000 0.423800 8.7815E+00 3.0027E+00 -1.2021E+01 H2 5991 1.008000 0.423800 8.0122E+00 1.9045E+00 -1.2953E+01 O6 5992 15.999400 -0.847600 -5.6014E+00 -1.1875E+01 -3.0549E+00 H1 5993 1.008000 0.423800 -6.5980E+00 -1.1813E+01 -3.0007E+00 H2 5994 1.008000 0.423800 -5.3466E+00 -1.2534E+01 -3.7620E+00 O6 5995 15.999400 -0.847600 1.5125E+01 1.4859E+01 -2.0185E+00 H1 5996 1.008000 0.423800 1.5108E+01 1.5350E+01 -2.8896E+00 H2 5997 1.008000 0.423800 1.4223E+01 1.4468E+01 -1.8382E+00 O6 5998 15.999400 -0.847600 1.6745E+01 6.1241E+00 -3.4227E+00 H1 5999 1.008000 0.423800 1.6454E+01 6.8320E+00 -2.7793E+00 H2 6000 1.008000 0.423800 1.7420E+01 6.5055E+00 -4.0547E+00 O6 6001 15.999400 -0.847600 -7.4999E+00 -1.3551E+01 8.0910E+00 H1 6002 1.008000 0.423800 -8.3661E+00 -1.4031E+01 8.2320E+00 H2 6003 1.008000 0.423800 -6.9571E+00 -1.4038E+01 7.4067E+00 O6 6004 15.999400 -0.847600 -9.2512E+00 -2.6214E+00 9.6218E+00 H1 6005 1.008000 0.423800 -8.9660E+00 -1.6630E+00 9.6164E+00 H2 6006 1.008000 0.423800 -8.4671E+00 -3.2012E+00 9.8430E+00 timestep 80001 6006 0 1 0.001000 39.10 0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.2947E+01 1.0643E+01 9.2847E-01 O1 2 15.999400 -1.000000 -1.2609E+01 1.0141E+01 -6.2806E-01 O2 3 15.999400 -1.000000 -1.4588E+01 1.0518E+01 1.2096E+00 O3 4 15.999400 -1.000000 -1.2121E+01 9.6809E+00 2.0153E+00 O4 5 15.999400 -1.000000 -1.2469E+01 1.2232E+01 1.1170E+00 CU 6 63.465000 2.000000 -1.0845E+01 8.5782E+00 2.7221E+00 O6 7 15.999400 -0.847600 1.3673E+01 1.4405E+01 1.3540E+01 H1 8 1.008000 0.423800 1.3271E+01 1.4929E+01 1.4290E+01 H2 9 1.008000 0.423800 1.3155E+01 1.3560E+01 1.3407E+01 O6 10 15.999400 -0.847600 1.1397E+01 1.1432E+01 9.5149E+00 H1 11 1.008000 0.423800 1.1175E+01 1.1330E+01 1.0485E+01 H2 12 1.008000 0.423800 1.2357E+01 1.1694E+01 9.4188E+00 O6 13 15.999400 -0.847600 -3.2925E+00 -1.1478E+01 -3.0546E+00 H1 14 1.008000 0.423800 -3.6879E+00 -1.1158E+01 -3.9154E+00 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0.423800 3.0696E+00 1.9260E+01 -1.4819E+00 H2 66 1.008000 0.423800 3.2266E+00 -1.8921E+01 -1.3951E-01 O6 67 15.999400 -0.847600 -9.9355E+00 -1.9548E+01 1.3612E+01 H1 68 1.008000 0.423800 -9.3241E+00 1.9093E+01 1.2965E+01 H2 69 1.008000 0.423800 -9.3993E+00 -1.8967E+01 1.4225E+01 O6 70 15.999400 -0.847600 1.0942E+01 -2.7200E+00 1.0806E+01 H1 71 1.008000 0.423800 1.1180E+01 -1.7497E+00 1.0766E+01 H2 72 1.008000 0.423800 9.9563E+00 -2.8265E+00 1.0675E+01 O6 73 15.999400 -0.847600 -1.2595E-02 -1.7916E+01 1.1448E+00 H1 74 1.008000 0.423800 6.1137E-01 -1.8021E+01 1.9191E+00 H2 75 1.008000 0.423800 -8.8547E-01 -1.7550E+01 1.4678E+00 O6 76 15.999400 -0.847600 5.9677E+00 8.6073E+00 5.5648E-02 H1 77 1.008000 0.423800 6.3873E+00 7.7417E+00 3.2903E-01 H2 78 1.008000 0.423800 6.3278E+00 9.3466E+00 6.2460E-01 O6 79 15.999400 -0.847600 4.8936E+00 1.6994E+01 1.2592E+01 H1 80 1.008000 0.423800 4.8709E+00 1.7678E+01 1.1863E+01 H2 81 1.008000 0.423800 5.4082E+00 1.7354E+01 1.3370E+01 O6 82 15.999400 -0.847600 -4.2311E-01 -1.0806E+01 4.0308E+00 H1 83 1.008000 0.423800 -4.4506E-01 -9.8370E+00 3.7826E+00 H2 84 1.008000 0.423800 -1.0510E+00 -1.0969E+01 4.7918E+00 O6 85 15.999400 -0.847600 6.4108E+00 5.4408E+00 -1.3121E+01 H1 86 1.008000 0.423800 6.1410E+00 4.4876E+00 -1.2984E+01 H2 87 1.008000 0.423800 5.9521E+00 6.0174E+00 -1.2445E+01 O6 88 15.999400 -0.847600 6.6651E+00 -1.6395E+01 -7.8541E+00 H1 89 1.008000 0.423800 5.8192E+00 -1.6776E+01 -8.2265E+00 H2 90 1.008000 0.423800 7.4339E+00 -1.6985E+01 -8.1007E+00 O6 91 15.999400 -0.847600 -8.2914E+00 -1.3276E+01 -8.7761E+00 H1 92 1.008000 0.423800 -7.5125E+00 -1.3715E+01 -8.3288E+00 H2 93 1.008000 0.423800 -9.1223E+00 -1.3454E+01 -8.2490E+00 O6 94 15.999400 -0.847600 -1.7083E+01 4.8215E+00 2.9449E+00 H1 95 1.008000 0.423800 -1.6131E+01 5.1171E+00 3.0335E+00 H2 96 1.008000 0.423800 -1.7109E+01 3.8572E+00 2.6814E+00 O6 97 15.999400 -0.847600 1.3211E+01 2.9189E+00 1.4033E+01 H1 98 1.008000 0.423800 1.2606E+01 2.1798E+00 1.4328E+01 H2 99 1.008000 0.423800 1.3332E+01 2.8751E+00 1.3042E+01 O6 100 15.999400 -0.847600 -3.2939E+00 -1.6642E+01 7.4242E+00 H1 101 1.008000 0.423800 -2.4016E+00 -1.7067E+01 7.2739E+00 H2 102 1.008000 0.423800 -3.9981E+00 -1.7350E+01 7.4683E+00 O6 103 15.999400 -0.847600 1.9074E+01 4.3139E+00 -2.6886E+00 H1 104 1.008000 0.423800 -1.9295E+01 4.2252E+00 -2.0096E+00 H2 105 1.008000 0.423800 1.8188E+01 4.3305E+00 -2.2260E+00 O6 106 15.999400 -0.847600 7.7485E+00 1.5647E+01 -1.8860E+01 H1 107 1.008000 0.423800 7.1029E+00 1.5231E+01 -1.8220E+01 H2 108 1.008000 0.423800 7.2810E+00 1.5850E+01 1.9377E+01 O6 109 15.999400 -0.847600 -1.1921E+01 -1.9156E+01 1.2026E+01 H1 110 1.008000 0.423800 -1.1917E+01 1.9330E+01 1.1235E+01 H2 111 1.008000 0.423800 -1.1187E+01 -1.9418E+01 1.2653E+01 O6 112 15.999400 -0.847600 7.8935E+00 3.9632E+00 3.7721E+00 H1 113 1.008000 0.423800 7.0574E+00 3.9603E+00 3.2235E+00 H2 114 1.008000 0.423800 7.9583E+00 4.8244E+00 4.2762E+00 O6 115 15.999400 -0.847600 -1.8718E+01 -1.3409E+01 -1.4321E+01 H1 116 1.008000 0.423800 -1.9463E+01 -1.3916E+01 -1.4753E+01 H2 117 1.008000 0.423800 -1.8875E+01 -1.3361E+01 -1.3335E+01 O6 118 15.999400 -0.847600 1.2867E+00 -3.3086E+00 7.9365E+00 H1 119 1.008000 0.423800 5.2023E-01 -3.2607E+00 8.5771E+00 H2 120 1.008000 0.423800 1.9387E+00 -3.9998E+00 8.2481E+00 O6 121 15.999400 -0.847600 -1.4283E+00 6.7828E+00 -1.6798E+00 H1 122 1.008000 0.423800 -1.1103E+00 6.2672E+00 -2.4755E+00 H2 123 1.008000 0.423800 -6.4545E-01 7.2006E+00 -1.2188E+00 O6 124 15.999400 -0.847600 6.1439E+00 1.5970E+01 1.7766E+01 H1 125 1.008000 0.423800 5.3667E+00 1.5349E+01 1.7661E+01 H2 126 1.008000 0.423800 5.8146E+00 1.6913E+01 1.7803E+01 O6 127 15.999400 -0.847600 1.8843E+01 1.5582E+01 1.4127E+01 H1 128 1.008000 0.423800 1.9537E+01 1.5759E+01 1.4825E+01 H2 129 1.008000 0.423800 1.8039E+01 1.5169E+01 1.4554E+01 O6 130 15.999400 -0.847600 1.2247E+01 -6.5177E+00 -7.7604E+00 H1 131 1.008000 0.423800 1.1621E+01 -6.7975E+00 -7.0324E+00 H2 132 1.008000 0.423800 1.2682E+01 -5.6523E+00 -7.5116E+00 O6 133 15.999400 -0.847600 1.8197E+01 8.9303E+00 3.7088E-01 H1 134 1.008000 0.423800 1.7269E+01 8.8239E+00 7.2771E-01 H2 135 1.008000 0.423800 1.8363E+01 8.2439E+00 -3.3733E-01 O6 136 15.999400 -0.847600 -1.9468E+01 1.0082E+01 1.3215E+01 H1 137 1.008000 0.423800 -1.9545E+01 9.5494E+00 1.2372E+01 H2 138 1.008000 0.423800 1.9416E+01 1.1040E+01 1.3024E+01 O6 139 15.999400 -0.847600 2.6906E+00 1.8481E+01 -1.1641E+01 H1 140 1.008000 0.423800 2.3442E+00 1.7976E+01 -1.0850E+01 H2 141 1.008000 0.423800 3.5903E+00 1.8127E+01 -1.1895E+01 O6 142 15.999400 -0.847600 -1.5712E+01 1.9253E+01 9.4440E-01 H1 143 1.008000 0.423800 -1.4913E+01 1.9254E+01 3.4385E-01 H2 144 1.008000 0.423800 -1.6477E+01 -1.9396E+01 4.8165E-01 O6 145 15.999400 -0.847600 -7.4974E+00 -7.0273E+00 7.3354E+00 H1 146 1.008000 0.423800 -7.4401E+00 -6.5237E+00 6.4733E+00 H2 147 1.008000 0.423800 -8.4392E+00 -7.0074E+00 7.6709E+00 O6 148 15.999400 -0.847600 -1.3261E+00 8.9643E+00 -4.6398E+00 H1 149 1.008000 0.423800 -7.8489E-01 8.2998E+00 -5.1551E+00 H2 150 1.008000 0.423800 -7.1678E-01 9.6380E+00 -4.2218E+00 O6 151 15.999400 -0.847600 1.7006E+01 -1.1022E+01 -3.7507E+00 H1 152 1.008000 0.423800 1.7178E+01 -1.1006E+01 -2.7658E+00 H2 153 1.008000 0.423800 1.7249E+01 -1.1920E+01 -4.1176E+00 O6 154 15.999400 -0.847600 -1.8827E+01 1.2193E+01 -1.4789E+01 H1 155 1.008000 0.423800 -1.9191E+01 1.1700E+01 -1.3999E+01 H2 156 1.008000 0.423800 -1.9462E+01 1.2922E+01 -1.5048E+01 O6 157 15.999400 -0.847600 1.3825E+01 3.9663E-01 -1.4494E+01 H1 158 1.008000 0.423800 1.3381E+01 -4.9178E-01 -1.4374E+01 H2 159 1.008000 0.423800 1.4761E+01 2.6102E-01 -1.4819E+01 O6 160 15.999400 -0.847600 -1.3925E+01 3.8281E+00 -1.5091E+01 H1 161 1.008000 0.423800 -1.3487E+01 4.2596E+00 -1.5879E+01 H2 162 1.008000 0.423800 -1.4695E+01 3.2695E+00 -1.5402E+01 O6 163 15.999400 -0.847600 8.9923E+00 -1.7962E+01 -8.4473E+00 H1 164 1.008000 0.423800 9.2793E+00 -1.8713E+01 -7.8522E+00 H2 165 1.008000 0.423800 9.2884E+00 -1.8148E+01 -9.3842E+00 O6 166 15.999400 -0.847600 1.5797E+01 6.8601E+00 -1.8659E+01 H1 167 1.008000 0.423800 1.5609E+01 5.8803E+00 -1.8729E+01 H2 168 1.008000 0.423800 1.4982E+01 7.3752E+00 -1.8927E+01 O6 169 15.999400 -0.847600 -6.0990E+00 -1.2327E+01 1.0278E+01 H1 170 1.008000 0.423800 -5.6972E+00 -1.1484E+01 1.0633E+01 H2 171 1.008000 0.423800 -5.8017E+00 -1.3100E+01 1.0838E+01 O6 172 15.999400 -0.847600 -8.4532E+00 1.3374E+01 1.0873E+01 H1 173 1.008000 0.423800 -8.2521E+00 1.3843E+01 1.0013E+01 H2 174 1.008000 0.423800 -9.4002E+00 1.3556E+01 1.1138E+01 O6 175 15.999400 -0.847600 -5.1667E+00 -1.8031E+01 1.8381E+00 H1 176 1.008000 0.423800 -5.5763E+00 -1.7229E+01 2.2729E+00 H2 177 1.008000 0.423800 -5.8891E+00 -1.8662E+01 1.5546E+00 O6 178 15.999400 -0.847600 8.5896E+00 1.6834E+01 6.5134E+00 H1 179 1.008000 0.423800 8.7202E+00 1.5979E+01 7.0149E+00 H2 180 1.008000 0.423800 9.1641E+00 1.6832E+01 5.6949E+00 O6 181 15.999400 -0.847600 1.5076E+01 7.4253E+00 -7.4633E+00 H1 182 1.008000 0.423800 1.5238E+01 7.7377E+00 -6.5273E+00 H2 183 1.008000 0.423800 1.4094E+01 7.4340E+00 -7.6517E+00 O6 184 15.999400 -0.847600 -1.0685E+01 -3.6467E+00 1.2818E+01 H1 185 1.008000 0.423800 -9.9743E+00 -4.1136E+00 1.3344E+01 H2 186 1.008000 0.423800 -1.0274E+01 -3.2095E+00 1.2017E+01 O6 187 15.999400 -0.847600 1.6902E+00 -1.1818E+01 1.4815E+01 H1 188 1.008000 0.423800 2.2977E+00 -1.1593E+01 1.5577E+01 H2 189 1.008000 0.423800 1.0606E+00 -1.1058E+01 1.4655E+01 O6 190 15.999400 -0.847600 -1.5361E+01 -1.6644E+01 1.6618E+01 H1 191 1.008000 0.423800 -1.4870E+01 -1.6225E+01 1.5855E+01 H2 192 1.008000 0.423800 -1.4706E+01 -1.6941E+01 1.7313E+01 O6 193 15.999400 -0.847600 -1.2791E+01 1.5108E+01 1.9542E+01 H1 194 1.008000 0.423800 -1.3526E+01 1.4911E+01 1.8892E+01 H2 195 1.008000 0.423800 -1.2570E+01 1.6083E+01 1.9508E+01 O6 196 15.999400 -0.847600 -3.7266E+00 1.6921E+01 -5.2802E+00 H1 197 1.008000 0.423800 -4.5658E+00 1.6747E+01 -5.7956E+00 H2 198 1.008000 0.423800 -3.5380E+00 1.7903E+01 -5.2715E+00 O6 199 15.999400 -0.847600 -9.7393E+00 -1.3933E+01 -5.2053E+00 H1 200 1.008000 0.423800 -1.0633E+01 -1.4103E+01 -4.7908E+00 H2 201 1.008000 0.423800 -9.1820E+00 -1.4761E+01 -5.1468E+00 O6 202 15.999400 -0.847600 -1.9244E+01 1.0350E+00 -6.4202E+00 H1 203 1.008000 0.423800 -1.8727E+01 3.6780E-01 -5.8838E+00 H2 204 1.008000 0.423800 1.9327E+01 5.5987E-01 -7.1247E+00 O6 205 15.999400 -0.847600 1.5733E+01 2.9825E+00 4.2476E+00 H1 206 1.008000 0.423800 1.5573E+01 3.9602E+00 4.3830E+00 H2 207 1.008000 0.423800 1.5158E+01 2.6506E+00 3.5002E+00 O6 208 15.999400 -0.847600 1.7092E+01 5.6029E+00 -5.8208E+00 H1 209 1.008000 0.423800 1.7300E+01 5.9500E+00 -6.7353E+00 H2 210 1.008000 0.423800 1.7620E+01 4.7708E+00 -5.6520E+00 O6 211 15.999400 -0.847600 1.0080E+01 -1.5471E+01 -7.3697E+00 H1 212 1.008000 0.423800 1.0139E+01 -1.4733E+01 -8.0424E+00 H2 213 1.008000 0.423800 9.3233E+00 -1.6080E+01 -7.6073E+00 O6 214 15.999400 -0.847600 -8.2088E+00 -8.1523E+00 -1.0190E+01 H1 215 1.008000 0.423800 -7.8208E+00 -7.6112E+00 -9.4443E+00 H2 216 1.008000 0.423800 -7.5417E+00 -8.2241E+00 -1.0932E+01 O6 217 15.999400 -0.847600 1.1967E+01 -1.2872E+01 1.5104E+00 H1 218 1.008000 0.423800 1.2190E+01 -1.2071E+01 9.5588E-01 H2 219 1.008000 0.423800 1.1189E+01 -1.3353E+01 1.1044E+00 O6 220 15.999400 -0.847600 2.7686E+00 -5.8728E+00 5.8838E+00 H1 221 1.008000 0.423800 2.6846E+00 -5.8494E+00 6.8800E+00 H2 222 1.008000 0.423800 3.7360E+00 -5.8713E+00 5.6308E+00 O6 223 15.999400 -0.847600 1.4220E+01 1.7713E+01 1.4034E+01 H1 224 1.008000 0.423800 1.3423E+01 1.7298E+01 1.4474E+01 H2 225 1.008000 0.423800 1.5055E+01 1.7327E+01 1.4424E+01 O6 226 15.999400 -0.847600 -1.2452E+01 4.0580E+00 1.4224E+01 H1 227 1.008000 0.423800 -1.2169E+01 4.2374E+00 1.5166E+01 H2 228 1.008000 0.423800 -1.2073E+01 3.1832E+00 1.3922E+01 O6 229 15.999400 -0.847600 -8.2795E-01 1.4755E+01 -1.2424E+01 H1 230 1.008000 0.423800 -1.4128E+00 1.5071E+01 -1.1677E+01 H2 231 1.008000 0.423800 1.3110E-01 1.4830E+01 -1.2151E+01 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-6.0027E+00 -4.3422E+00 H2 249 1.008000 0.423800 6.5034E-01 -7.2502E+00 -4.3097E+00 O6 250 15.999400 -0.847600 -1.5778E+00 1.5399E+01 -6.8328E+00 H1 251 1.008000 0.423800 -2.3717E+00 1.5864E+01 -6.4408E+00 H2 252 1.008000 0.423800 -1.2696E+00 1.4682E+01 -6.2081E+00 O6 253 15.999400 -0.847600 8.0448E+00 4.3188E+00 1.9221E+01 H1 254 1.008000 0.423800 7.5018E+00 3.6444E+00 -1.9376E+01 H2 255 1.008000 0.423800 7.4707E+00 4.7668E+00 1.8536E+01 O6 256 15.999400 -0.847600 2.8208E+00 1.0165E+01 2.9071E+00 H1 257 1.008000 0.423800 3.0761E+00 9.2035E+00 2.8037E+00 H2 258 1.008000 0.423800 2.1514E+00 1.0409E+01 2.2056E+00 O6 259 15.999400 -0.847600 -6.5596E+00 1.4919E+01 -1.4278E+00 H1 260 1.008000 0.423800 -5.9542E+00 1.5029E+01 -2.2162E+00 H2 261 1.008000 0.423800 -6.0631E+00 1.4467E+01 -6.8684E-01 O6 262 15.999400 -0.847600 -2.3306E+00 -4.6681E+00 1.3712E+01 H1 263 1.008000 0.423800 -1.7411E+00 -4.5765E+00 1.4514E+01 H2 264 1.008000 0.423800 -2.7851E+00 -5.5586E+00 1.3732E+01 O6 265 15.999400 -0.847600 -1.7997E+01 2.6787E+00 -1.0331E+01 H1 266 1.008000 0.423800 -1.7484E+01 2.6429E+00 -1.1188E+01 H2 267 1.008000 0.423800 -1.7970E+01 1.7825E+00 -9.8880E+00 O6 268 15.999400 -0.847600 -3.8757E+00 9.9620E+00 1.2684E+01 H1 269 1.008000 0.423800 -3.2601E+00 1.0338E+01 1.1992E+01 H2 270 1.008000 0.423800 -3.9096E+00 1.0579E+01 1.3470E+01 O6 271 15.999400 -0.847600 4.4062E+00 -8.3120E-01 -1.7192E+01 H1 272 1.008000 0.423800 4.8549E+00 -1.6016E+00 -1.7645E+01 H2 273 1.008000 0.423800 4.3526E+00 -1.0078E+00 -1.6209E+01 O6 274 15.999400 -0.847600 -3.7464E+00 -8.7245E+00 -6.9965E-01 H1 275 1.008000 0.423800 -3.8832E+00 -9.5922E+00 -2.2172E-01 H2 276 1.008000 0.423800 -3.4197E+00 -8.9031E+00 -1.6277E+00 O6 277 15.999400 -0.847600 9.0626E+00 -3.0546E+00 1.8051E+01 H1 278 1.008000 0.423800 9.3223E+00 -2.2080E+00 1.8516E+01 H2 279 1.008000 0.423800 8.0656E+00 -3.1250E+00 1.8019E+01 O6 280 15.999400 -0.847600 -6.5545E+00 -2.7050E-01 1.4669E+01 H1 281 1.008000 0.423800 -5.7824E+00 1.9943E-01 1.4241E+01 H2 282 1.008000 0.423800 -6.2888E+00 -1.2068E+00 1.4899E+01 O6 283 15.999400 -0.847600 7.2661E+00 -4.3474E+00 1.3900E+01 H1 284 1.008000 0.423800 6.9891E+00 -3.4762E+00 1.3494E+01 H2 285 1.008000 0.423800 6.5969E+00 -4.6213E+00 1.4591E+01 O6 286 15.999400 -0.847600 -6.4662E+00 -8.6827E+00 1.7064E+01 H1 287 1.008000 0.423800 -7.4060E+00 -8.6332E+00 1.6726E+01 H2 288 1.008000 0.423800 -5.9397E+00 -9.3133E+00 1.6494E+01 O6 289 15.999400 -0.847600 -1.2866E+01 -1.0289E+01 -1.2748E+00 H1 290 1.008000 0.423800 -1.2463E+01 -9.5952E+00 -6.7741E-01 H2 291 1.008000 0.423800 -1.3421E+01 -1.0917E+01 -7.2936E-01 O6 292 15.999400 -0.847600 -7.1973E+00 -1.2430E+01 -4.8921E+00 H1 293 1.008000 0.423800 -7.1923E+00 -1.2292E+01 -3.9016E+00 H2 294 1.008000 0.423800 -8.0929E+00 -1.2772E+01 -5.1764E+00 O6 295 15.999400 -0.847600 -1.9325E+01 1.5782E+01 -2.0323E+00 H1 296 1.008000 0.423800 -1.8362E+01 1.6037E+01 -1.9443E+00 H2 297 1.008000 0.423800 1.9471E+01 1.5327E+01 -1.1944E+00 O6 298 15.999400 -0.847600 5.7321E+00 1.2293E+01 -1.0756E+01 H1 299 1.008000 0.423800 6.6725E+00 1.2403E+01 -1.0434E+01 H2 300 1.008000 0.423800 5.7391E+00 1.2002E+01 -1.1713E+01 O6 301 15.999400 -0.847600 5.9254E+00 -7.4412E+00 -1.1640E+01 H1 302 1.008000 0.423800 5.9916E+00 -7.3008E+00 -1.0653E+01 H2 303 1.008000 0.423800 5.8750E+00 -8.4208E+00 -1.1835E+01 O6 304 15.999400 -0.847600 1.3901E+00 -3.4004E-01 -1.2568E+00 H1 305 1.008000 0.423800 2.2253E+00 -7.6763E-01 -1.6027E+00 H2 306 1.008000 0.423800 1.0521E+00 3.2100E-01 -1.9267E+00 O6 307 15.999400 -0.847600 7.1056E+00 -1.3941E+01 -1.8216E+01 H1 308 1.008000 0.423800 7.1489E+00 -1.3961E+01 -1.9215E+01 H2 309 1.008000 0.423800 7.5612E+00 -1.4751E+01 -1.7847E+01 O6 310 15.999400 -0.847600 9.1278E+00 -3.4346E+00 -7.8196E+00 H1 311 1.008000 0.423800 9.7063E+00 -2.6689E+00 -8.1008E+00 H2 312 1.008000 0.423800 9.5565E+00 -3.9119E+00 -7.0525E+00 O6 313 15.999400 -0.847600 -1.2037E+01 -3.6148E+00 5.4986E+00 H1 314 1.008000 0.423800 -1.1639E+01 -4.3172E+00 6.0889E+00 H2 315 1.008000 0.423800 -1.2263E+01 -2.8085E+00 6.0453E+00 O6 316 15.999400 -0.847600 -8.5566E+00 1.6243E+01 -1.0132E+01 H1 317 1.008000 0.423800 -8.6740E+00 1.6053E+01 -9.1570E+00 H2 318 1.008000 0.423800 -9.2180E+00 1.5708E+01 -1.0658E+01 O6 319 15.999400 -0.847600 1.5912E+01 -7.0182E+00 -1.9017E+01 H1 320 1.008000 0.423800 1.4976E+01 -7.3567E+00 -1.9112E+01 H2 321 1.008000 0.423800 1.5920E+01 -6.0242E+00 -1.9126E+01 O6 322 15.999400 -0.847600 1.8735E+01 1.8208E+01 -1.2195E+01 H1 323 1.008000 0.423800 1.9123E+01 1.9000E+01 -1.2666E+01 H2 324 1.008000 0.423800 1.9472E+01 1.7667E+01 -1.1789E+01 O6 325 15.999400 -0.847600 2.1616E+00 -1.1121E+01 -1.3852E+01 H1 326 1.008000 0.423800 1.3865E+00 -1.0661E+01 -1.4285E+01 H2 327 1.008000 0.423800 1.8263E+00 -1.1858E+01 -1.3266E+01 O6 328 15.999400 -0.847600 2.2269E+00 1.5241E+01 -3.5450E+00 H1 329 1.008000 0.423800 3.2018E+00 1.5311E+01 -3.7566E+00 H2 330 1.008000 0.423800 1.9908E+00 1.4284E+01 -3.3742E+00 O6 331 15.999400 -0.847600 1.4664E+01 1.9437E+00 -1.2354E+01 H1 332 1.008000 0.423800 1.5657E+01 1.8247E+00 -1.2332E+01 H2 333 1.008000 0.423800 1.4283E+01 1.4226E+00 -1.3117E+01 O6 334 15.999400 -0.847600 -1.7155E+01 -1.7122E+01 -1.4657E+01 H1 335 1.008000 0.423800 -1.7067E+01 -1.7470E+01 -1.3724E+01 H2 336 1.008000 0.423800 -1.6653E+01 -1.6261E+01 -1.4741E+01 O6 337 15.999400 -0.847600 -6.9341E-01 -4.2385E+00 1.5933E+01 H1 338 1.008000 0.423800 -1.0318E+00 -3.4422E+00 1.6435E+01 H2 339 1.008000 0.423800 -4.9423E-01 -4.9777E+00 1.6576E+01 O6 340 15.999400 -0.847600 2.3302E+00 1.0803E+00 1.8927E+01 H1 341 1.008000 0.423800 1.8742E+00 2.4283E-01 1.8626E+01 H2 342 1.008000 0.423800 2.3147E+00 1.1274E+00 -1.9172E+01 O6 343 15.999400 -0.847600 2.8431E-01 -1.7150E+01 -2.3834E+00 H1 344 1.008000 0.423800 -4.7419E-01 -1.7801E+01 -2.4041E+00 H2 345 1.008000 0.423800 1.7256E-01 -1.6533E+01 -1.6043E+00 O6 346 15.999400 -0.847600 -1.9103E+01 -8.8692E+00 -1.8217E+00 H1 347 1.008000 0.423800 -1.8256E+01 -9.3495E+00 -1.5906E+00 H2 348 1.008000 0.423800 -1.8974E+01 -7.8862E+00 -1.6909E+00 O6 349 15.999400 -0.847600 -2.4652E+00 -1.3691E+01 1.4394E+01 H1 350 1.008000 0.423800 -1.4919E+00 -1.3679E+01 1.4623E+01 H2 351 1.008000 0.423800 -3.0023E+00 -1.3475E+01 1.5209E+01 O6 352 15.999400 -0.847600 -1.3666E+01 -1.7615E+01 1.8430E+01 H1 353 1.008000 0.423800 -1.2893E+01 -1.7873E+01 1.7850E+01 H2 354 1.008000 0.423800 -1.3332E+01 -1.7377E+01 1.9343E+01 O6 355 15.999400 -0.847600 8.0392E+00 -1.0206E+01 -7.0294E+00 H1 356 1.008000 0.423800 8.5370E+00 -9.5513E+00 -6.4603E+00 H2 357 1.008000 0.423800 8.6896E+00 -1.0742E+01 -7.5678E+00 O6 358 15.999400 -0.847600 -1.7374E+01 -1.4361E+01 4.6069E+00 H1 359 1.008000 0.423800 -1.7987E+01 -1.4360E+01 3.8167E+00 H2 360 1.008000 0.423800 -1.6457E+01 -1.4634E+01 4.3170E+00 O6 361 15.999400 -0.847600 -1.3185E+01 -8.7653E+00 5.5441E+00 H1 362 1.008000 0.423800 -1.3860E+01 -8.2295E+00 5.0375E+00 H2 363 1.008000 0.423800 -1.3477E+01 -9.7208E+00 5.5813E+00 O6 364 15.999400 -0.847600 1.0182E+01 9.8316E-01 -6.6469E+00 H1 365 1.008000 0.423800 9.9683E+00 1.2691E+00 -7.5811E+00 H2 366 1.008000 0.423800 1.1174E+01 9.6521E-01 -6.5225E+00 O6 367 15.999400 -0.847600 3.8978E+00 -6.0497E+00 -6.8008E+00 H1 368 1.008000 0.423800 4.3932E+00 -5.5390E+00 -7.5035E+00 H2 369 1.008000 0.423800 2.9733E+00 -5.6796E+00 -6.7093E+00 O6 370 15.999400 -0.847600 -1.8420E+01 7.9774E+00 -6.2186E+00 H1 371 1.008000 0.423800 -1.8729E+01 8.9227E+00 -6.3248E+00 H2 372 1.008000 0.423800 -1.8793E+01 7.5983E+00 -5.3718E+00 O6 373 15.999400 -0.847600 5.3904E+00 -1.2915E+01 -1.0753E+01 H1 374 1.008000 0.423800 5.9993E+00 -1.3188E+01 -1.1498E+01 H2 375 1.008000 0.423800 4.8198E+00 -1.2151E+01 -1.1052E+01 O6 376 15.999400 -0.847600 -1.5917E+01 1.9492E+01 1.9120E+01 H1 377 1.008000 0.423800 -1.6265E+01 -1.9195E+01 -1.9135E+01 H2 378 1.008000 0.423800 -1.5098E+01 -1.9114E+01 1.8823E+01 O6 379 15.999400 -0.847600 -1.4230E+01 -3.2996E+00 -1.8391E+01 H1 380 1.008000 0.423800 -1.3257E+01 -3.1472E+00 -1.8565E+01 H2 381 1.008000 0.423800 -1.4709E+01 -3.4249E+00 -1.9260E+01 O6 382 15.999400 -0.847600 3.9823E+00 1.7257E+01 -1.5003E+01 H1 383 1.008000 0.423800 4.4787E+00 1.7352E+01 -1.4140E+01 H2 384 1.008000 0.423800 3.0000E+00 1.7218E+01 -1.4820E+01 O6 385 15.999400 -0.847600 4.6954E+00 -1.4126E+01 -1.4262E+01 H1 386 1.008000 0.423800 5.5678E+00 -1.3796E+01 -1.3901E+01 H2 387 1.008000 0.423800 4.6395E+00 -1.3921E+01 -1.5239E+01 O6 388 15.999400 -0.847600 -1.4978E+01 -1.8337E+01 5.3195E+00 H1 389 1.008000 0.423800 -1.5770E+01 -1.8414E+01 5.9250E+00 H2 390 1.008000 0.423800 -1.4941E+01 -1.9132E+01 4.7151E+00 O6 391 15.999400 -0.847600 -6.6640E+00 -1.9931E+00 -1.2924E+01 H1 392 1.008000 0.423800 -7.6379E+00 -1.7887E+00 -1.2826E+01 H2 393 1.008000 0.423800 -6.2569E+00 -2.1211E+00 -1.2020E+01 O6 394 15.999400 -0.847600 -9.5515E+00 -5.0522E+00 -7.5846E+00 H1 395 1.008000 0.423800 -1.0417E+01 -5.0050E+00 -7.0855E+00 H2 396 1.008000 0.423800 -9.7341E+00 -5.2259E+00 -8.5524E+00 O6 397 15.999400 -0.847600 1.3843E+01 -1.1438E+01 -1.9304E+01 H1 398 1.008000 0.423800 1.3176E+01 -1.0992E+01 1.9198E+01 H2 399 1.008000 0.423800 1.4535E+01 -1.1897E+01 1.9236E+01 O6 400 15.999400 -0.847600 1.0938E+01 -7.5036E+00 -5.6809E+00 H1 401 1.008000 0.423800 1.0090E+01 -7.7321E+00 -5.2037E+00 H2 402 1.008000 0.423800 1.1472E+01 -8.3362E+00 -5.8283E+00 O6 403 15.999400 -0.847600 3.2087E+00 8.8100E+00 -6.4648E-01 H1 404 1.008000 0.423800 2.9834E+00 9.7088E+00 -2.7031E-01 H2 405 1.008000 0.423800 4.1869E+00 8.6368E+00 -5.3258E-01 O6 406 15.999400 -0.847600 -6.4201E+00 -1.4210E+01 4.9695E+00 H1 407 1.008000 0.423800 -7.3169E+00 -1.4180E+01 5.4109E+00 H2 408 1.008000 0.423800 -5.9377E+00 -1.3350E+01 5.1365E+00 O6 409 15.999400 -0.847600 -1.5323E+01 1.5676E+01 1.0593E+01 H1 410 1.008000 0.423800 -1.6292E+01 1.5656E+01 1.0347E+01 H2 411 1.008000 0.423800 -1.4910E+01 1.6522E+01 1.0256E+01 O6 412 15.999400 -0.847600 1.7163E+01 -1.2183E+01 -1.3062E+01 H1 413 1.008000 0.423800 1.7871E+01 -1.2727E+01 -1.3512E+01 H2 414 1.008000 0.423800 1.7588E+01 -1.1564E+01 -1.2401E+01 O6 415 15.999400 -0.847600 -9.6828E+00 -3.8621E+00 -4.1172E+00 H1 416 1.008000 0.423800 -9.7635E+00 -3.5925E+00 -5.0768E+00 H2 417 1.008000 0.423800 -1.0395E+01 -3.4070E+00 -3.5822E+00 O6 418 15.999400 -0.847600 -1.1893E+01 -1.1684E+01 1.4530E+01 H1 419 1.008000 0.423800 -1.2557E+01 -1.1704E+01 1.5277E+01 H2 420 1.008000 0.423800 -1.2360E+01 -1.1861E+01 1.3664E+01 O6 421 15.999400 -0.847600 7.1411E+00 -1.3703E+01 -1.2651E+01 H1 422 1.008000 0.423800 7.8806E+00 -1.3040E+01 -1.2765E+01 H2 423 1.008000 0.423800 7.5064E+00 -1.4629E+01 -1.2747E+01 O6 424 15.999400 -0.847600 1.0257E+01 1.2618E+01 -5.4465E+00 H1 425 1.008000 0.423800 1.0899E+01 1.1863E+01 -5.3080E+00 H2 426 1.008000 0.423800 1.0748E+01 1.3410E+01 -5.8095E+00 O6 427 15.999400 -0.847600 -1.9187E+01 -1.6688E+01 -5.3553E+00 H1 428 1.008000 0.423800 1.9447E+01 -1.5908E+01 -5.7752E+00 H2 429 1.008000 0.423800 -1.8598E+01 -1.6367E+01 -4.6138E+00 O6 430 15.999400 -0.847600 -1.6896E+00 -3.7016E+00 -3.3256E+00 H1 431 1.008000 0.423800 -1.9731E+00 -3.5171E+00 -4.2667E+00 H2 432 1.008000 0.423800 -2.2017E+00 -4.4837E+00 -2.9706E+00 O6 433 15.999400 -0.847600 1.8539E+01 3.2870E+00 -5.1921E+00 H1 434 1.008000 0.423800 1.8950E+01 3.4761E+00 -4.3004E+00 H2 435 1.008000 0.423800 1.9080E+01 2.5942E+00 -5.6686E+00 O6 436 15.999400 -0.847600 -2.4671E+00 -1.4948E+01 9.4500E+00 H1 437 1.008000 0.423800 -2.5212E+00 -1.5454E+01 1.0311E+01 H2 438 1.008000 0.423800 -2.9032E+00 -1.5479E+01 8.7234E+00 O6 439 15.999400 -0.847600 7.7153E+00 -3.8664E+00 8.1396E+00 H1 440 1.008000 0.423800 7.4506E+00 -3.0181E+00 7.6809E+00 H2 441 1.008000 0.423800 7.8830E+00 -3.6832E+00 9.1083E+00 O6 442 15.999400 -0.847600 1.0728E+01 -1.7295E+01 1.7134E+01 H1 443 1.008000 0.423800 9.8287E+00 -1.6943E+01 1.6875E+01 H2 444 1.008000 0.423800 1.0627E+01 -1.7947E+01 1.7886E+01 O6 445 15.999400 -0.847600 -7.9354E+00 -9.2302E+00 3.0102E+00 H1 446 1.008000 0.423800 -8.7656E+00 -9.1833E+00 3.5656E+00 H2 447 1.008000 0.423800 -7.8733E+00 -1.0130E+01 2.5790E+00 O6 448 15.999400 -0.847600 1.1941E+01 -1.8352E+01 8.0898E+00 H1 449 1.008000 0.423800 1.1030E+01 -1.8400E+01 8.4988E+00 H2 450 1.008000 0.423800 1.1948E+01 -1.7654E+01 7.3732E+00 O6 451 15.999400 -0.847600 -3.5179E-01 -1.5438E+01 1.2652E+01 H1 452 1.008000 0.423800 5.1693E-01 -1.5242E+01 1.2197E+01 H2 453 1.008000 0.423800 -4.2027E-01 -1.4895E+01 1.3489E+01 O6 454 15.999400 -0.847600 -5.6437E-01 7.4657E+00 -1.8416E+01 H1 455 1.008000 0.423800 -7.3575E-01 6.6167E+00 -1.7917E+01 H2 456 1.008000 0.423800 1.3636E-01 7.3074E+00 -1.9112E+01 O6 457 15.999400 -0.847600 -1.0723E+00 -8.7613E+00 -1.9285E+01 H1 458 1.008000 0.423800 -4.5261E-01 -9.3937E+00 1.9348E+01 H2 459 1.008000 0.423800 -1.6249E+00 -8.2772E+00 1.9134E+01 O6 460 15.999400 -0.847600 1.2163E+01 -5.0661E+00 -2.4327E+00 H1 461 1.008000 0.423800 1.2081E+01 -4.5416E+00 -3.2802E+00 H2 462 1.008000 0.423800 1.1286E+01 -5.5000E+00 -2.2232E+00 O6 463 15.999400 -0.847600 3.9027E-01 -1.6910E+01 -1.0797E+01 H1 464 1.008000 0.423800 5.7570E-02 -1.6797E+01 -1.1734E+01 H2 465 1.008000 0.423800 8.2815E-01 -1.6064E+01 -1.0495E+01 O6 466 15.999400 -0.847600 1.8426E+01 -7.8679E+00 6.1589E+00 H1 467 1.008000 0.423800 1.8265E+01 -7.4805E+00 7.0667E+00 H2 468 1.008000 0.423800 1.8825E+01 -7.1698E+00 5.5648E+00 O6 469 15.999400 -0.847600 -1.6481E+01 1.1137E+01 -1.8244E+00 H1 470 1.008000 0.423800 -1.6721E+01 1.0803E+01 -9.1270E-01 H2 471 1.008000 0.423800 -1.6244E+01 1.2107E+01 -1.7725E+00 O6 472 15.999400 -0.847600 -1.2054E+01 -1.2570E+01 1.0077E+00 H1 473 1.008000 0.423800 -1.2635E+01 -1.1864E+01 1.4126E+00 H2 474 1.008000 0.423800 -1.1100E+01 -1.2402E+01 1.2584E+00 O6 475 15.999400 -0.847600 5.8286E+00 1.9236E+01 -6.4581E+00 H1 476 1.008000 0.423800 6.2198E+00 1.8316E+01 -6.4988E+00 H2 477 1.008000 0.423800 4.9970E+00 1.9269E+01 -7.0124E+00 O6 478 15.999400 -0.847600 1.4643E+01 -4.9739E+00 5.6348E+00 H1 479 1.008000 0.423800 1.5443E+01 -4.3974E+00 5.8038E+00 H2 480 1.008000 0.423800 1.4838E+01 -5.9092E+00 5.9300E+00 O6 481 15.999400 -0.847600 -1.3789E+01 1.8352E+01 -1.5092E+00 H1 482 1.008000 0.423800 -1.4193E+01 1.9227E+01 -1.7766E+00 H2 483 1.008000 0.423800 -1.3939E+01 1.7680E+01 -2.2339E+00 O6 484 15.999400 -0.847600 1.2794E+01 3.9090E+00 -1.2675E+01 H1 485 1.008000 0.423800 1.3568E+01 3.3219E+00 -1.2437E+01 H2 486 1.008000 0.423800 1.2677E+01 3.9202E+00 -1.3668E+01 O6 487 15.999400 -0.847600 -4.2364E+00 -2.4935E+00 -3.6606E+00 H1 488 1.008000 0.423800 -3.4118E+00 -2.2301E+00 -3.1599E+00 H2 489 1.008000 0.423800 -4.6124E+00 -3.3318E+00 -3.2659E+00 O6 490 15.999400 -0.847600 -1.2948E+01 -1.8326E+01 2.4254E+00 H1 491 1.008000 0.423800 -1.2294E+01 -1.8182E+01 3.1686E+00 H2 492 1.008000 0.423800 -1.2782E+01 -1.9218E+01 2.0043E+00 O6 493 15.999400 -0.847600 -1.7291E+01 -4.1417E+00 -1.5979E+01 H1 494 1.008000 0.423800 -1.6527E+01 -4.4790E+00 -1.5429E+01 H2 495 1.008000 0.423800 -1.7962E+01 -3.7002E+00 -1.5383E+01 O6 496 15.999400 -0.847600 -1.4167E+01 -5.4282E+00 2.7932E+00 H1 497 1.008000 0.423800 -1.4900E+01 -5.0875E+00 2.2032E+00 H2 498 1.008000 0.423800 -1.4168E+01 -4.9179E+00 3.6532E+00 O6 499 15.999400 -0.847600 -8.6927E+00 1.3202E+01 -8.6432E+00 H1 500 1.008000 0.423800 -9.4888E+00 1.3215E+01 -8.0381E+00 H2 501 1.008000 0.423800 -8.0378E+00 1.2520E+01 -8.3176E+00 O6 502 15.999400 -0.847600 -1.8429E+01 1.1112E+01 3.5519E+00 H1 503 1.008000 0.423800 -1.8349E+01 1.0973E+01 2.5648E+00 H2 504 1.008000 0.423800 -1.8920E+01 1.0342E+01 3.9586E+00 O6 505 15.999400 -0.847600 -8.2482E+00 -4.3816E+00 1.0628E+01 H1 506 1.008000 0.423800 -7.7910E+00 -3.5935E+00 1.1040E+01 H2 507 1.008000 0.423800 -7.5656E+00 -4.9848E+00 1.0216E+01 O6 508 15.999400 -0.847600 1.7821E+01 8.1025E-01 8.0233E+00 H1 509 1.008000 0.423800 1.8200E+01 3.8899E-01 8.8472E+00 H2 510 1.008000 0.423800 1.7386E+01 1.0801E-01 7.4602E+00 O6 511 15.999400 -0.847600 8.9644E-01 -1.2117E+01 9.3130E+00 H1 512 1.008000 0.423800 1.1270E+00 -1.2162E+01 1.0285E+01 H2 513 1.008000 0.423800 1.7055E+00 -1.1848E+01 8.7906E+00 O6 514 15.999400 -0.847600 9.8344E+00 1.4962E+01 4.4095E+00 H1 515 1.008000 0.423800 1.0530E+01 1.4538E+01 4.9894E+00 H2 516 1.008000 0.423800 8.9368E+00 1.4583E+01 4.6355E+00 O6 517 15.999400 -0.847600 5.6336E+00 -1.4844E+01 3.4452E+00 H1 518 1.008000 0.423800 4.6965E+00 -1.5191E+01 3.4826E+00 H2 519 1.008000 0.423800 6.2714E+00 -1.5612E+01 3.3873E+00 O6 520 15.999400 -0.847600 1.2016E+01 1.7328E+01 -7.6135E+00 H1 521 1.008000 0.423800 1.2665E+01 1.7699E+01 -6.9493E+00 H2 522 1.008000 0.423800 1.2511E+01 1.6794E+01 -8.2996E+00 O6 523 15.999400 -0.847600 -1.5411E+01 1.4747E+01 1.8406E+01 H1 524 1.008000 0.423800 -1.5635E+01 1.5562E+01 1.8939E+01 H2 525 1.008000 0.423800 -1.5200E+01 1.5011E+01 1.7465E+01 O6 526 15.999400 -0.847600 5.1391E+00 -9.3951E-01 1.6172E+01 H1 527 1.008000 0.423800 5.7924E+00 -1.0668E+00 1.5425E+01 H2 528 1.008000 0.423800 4.3785E+00 -3.7244E-01 1.5856E+01 O6 529 15.999400 -0.847600 -3.9619E+00 1.5603E+01 4.1876E+00 H1 530 1.008000 0.423800 -4.4346E+00 1.5836E+01 5.0375E+00 H2 531 1.008000 0.423800 -4.6208E+00 1.5240E+01 3.5286E+00 O6 532 15.999400 -0.847600 6.6493E+00 8.1233E+00 -6.5249E+00 H1 533 1.008000 0.423800 6.9527E+00 7.6784E+00 -5.6822E+00 H2 534 1.008000 0.423800 7.3741E+00 8.7224E+00 -6.8651E+00 O6 535 15.999400 -0.847600 -9.4602E+00 5.6177E+00 -1.6613E+01 H1 536 1.008000 0.423800 -8.9535E+00 6.2788E+00 -1.6059E+01 H2 537 1.008000 0.423800 -9.8305E+00 4.9019E+00 -1.6021E+01 O6 538 15.999400 -0.847600 -4.7350E-01 -3.7907E+00 5.7683E+00 H1 539 1.008000 0.423800 1.5608E-01 -3.5952E+00 6.5203E+00 H2 540 1.008000 0.423800 -1.1405E+00 -4.4756E+00 6.0615E+00 O6 541 15.999400 -0.847600 1.1212E+01 2.7114E+00 7.8277E+00 H1 542 1.008000 0.423800 1.1045E+01 2.0848E+00 7.0663E+00 H2 543 1.008000 0.423800 1.0474E+01 2.6251E+00 8.4976E+00 O6 544 15.999400 -0.847600 1.9514E+01 -1.2086E+01 3.5415E+00 H1 545 1.008000 0.423800 1.9103E+01 -1.2356E+01 4.4119E+00 H2 546 1.008000 0.423800 -1.9286E+01 -1.1132E+01 3.5949E+00 O6 547 15.999400 -0.847600 1.7854E+01 1.2620E+01 -1.0235E+01 H1 548 1.008000 0.423800 1.7756E+01 1.3562E+01 -9.9137E+00 H2 549 1.008000 0.423800 1.8735E+01 1.2514E+01 -1.0695E+01 O6 550 15.999400 -0.847600 -5.5555E-01 -8.1338E+00 3.6642E+00 H1 551 1.008000 0.423800 2.6489E-02 -7.7134E+00 4.3603E+00 H2 552 1.008000 0.423800 -1.2100E+00 -7.4582E+00 3.3248E+00 O6 553 15.999400 -0.847600 1.4472E+01 -1.3478E+01 2.6410E+00 H1 554 1.008000 0.423800 1.3682E+01 -1.3174E+01 2.1078E+00 H2 555 1.008000 0.423800 1.4796E+01 -1.2726E+01 3.2145E+00 O6 556 15.999400 -0.847600 1.1832E+01 2.3472E+00 3.9946E+00 H1 557 1.008000 0.423800 1.1410E+01 3.2312E+00 4.1948E+00 H2 558 1.008000 0.423800 1.1644E+01 1.7109E+00 4.7428E+00 O6 559 15.999400 -0.847600 -1.6224E+00 -1.3684E+01 5.9241E-02 H1 560 1.008000 0.423800 -1.4442E+00 -1.3300E+01 9.6548E-01 H2 561 1.008000 0.423800 -7.7493E-01 -1.4059E+01 -3.1634E-01 O6 562 15.999400 -0.847600 -1.1196E+01 5.2016E+00 1.1813E+01 H1 563 1.008000 0.423800 -1.0244E+01 5.5072E+00 1.1823E+01 H2 564 1.008000 0.423800 -1.1475E+01 4.9529E+00 1.2741E+01 O6 565 15.999400 -0.847600 -1.8978E+01 8.3334E+00 -1.4240E+01 H1 566 1.008000 0.423800 -1.9065E+01 9.0983E+00 -1.3602E+01 H2 567 1.008000 0.423800 -1.9295E+01 8.6167E+00 -1.5145E+01 O6 568 15.999400 -0.847600 5.4382E+00 -9.4647E+00 -7.1235E+00 H1 569 1.008000 0.423800 4.7932E+00 -9.5185E+00 -6.3612E+00 H2 570 1.008000 0.423800 6.3729E+00 -9.4462E+00 -6.7685E+00 O6 571 15.999400 -0.847600 -1.6495E+01 1.6602E+01 1.0123E+00 H1 572 1.008000 0.423800 -1.6156E+01 1.7365E+01 1.5631E+00 H2 573 1.008000 0.423800 -1.6896E+01 1.5910E+01 1.6126E+00 O6 574 15.999400 -0.847600 6.0474E+00 1.0112E+01 6.7600E+00 H1 575 1.008000 0.423800 5.6187E+00 1.0261E+01 7.6510E+00 H2 576 1.008000 0.423800 6.7636E+00 1.0795E+01 6.6162E+00 O6 577 15.999400 -0.847600 6.8372E+00 2.5545E+00 1.3048E+01 H1 578 1.008000 0.423800 6.2989E+00 3.3775E+00 1.3229E+01 H2 579 1.008000 0.423800 6.3580E+00 1.9830E+00 1.2382E+01 O6 580 15.999400 -0.847600 -1.6259E+01 -1.2952E+01 8.9774E+00 H1 581 1.008000 0.423800 -1.5848E+01 -1.2917E+01 9.8885E+00 H2 582 1.008000 0.423800 -1.7150E+01 -1.2499E+01 8.9963E+00 O6 583 15.999400 -0.847600 1.5201E+01 -1.3185E+01 1.3099E+01 H1 584 1.008000 0.423800 1.5114E+01 -1.3992E+01 1.2514E+01 H2 585 1.008000 0.423800 1.5822E+01 -1.2529E+01 1.2670E+01 O6 586 15.999400 -0.847600 -9.2059E+00 -1.7756E+01 1.4837E+00 H1 587 1.008000 0.423800 -9.7108E+00 -1.8543E+01 1.1304E+00 H2 588 1.008000 0.423800 -8.2457E+00 -1.8005E+01 1.6100E+00 O6 589 15.999400 -0.847600 1.4657E+01 6.8150E+00 -1.1782E+01 H1 590 1.008000 0.423800 1.5359E+01 6.3823E+00 -1.1216E+01 H2 591 1.008000 0.423800 1.3766E+01 6.4124E+00 -1.1573E+01 O6 592 15.999400 -0.847600 -6.3458E+00 8.7484E+00 1.2793E+01 H1 593 1.008000 0.423800 -6.9842E+00 9.3238E+00 1.2281E+01 H2 594 1.008000 0.423800 -5.4618E+00 9.2108E+00 1.2861E+01 O6 595 15.999400 -0.847600 6.1907E+00 7.3374E+00 -1.5130E+01 H1 596 1.008000 0.423800 5.3111E+00 7.7047E+00 -1.5432E+01 H2 597 1.008000 0.423800 6.0363E+00 6.6205E+00 -1.4450E+01 O6 598 15.999400 -0.847600 3.7662E+00 1.9212E+01 -8.3328E+00 H1 599 1.008000 0.423800 3.1412E+00 1.8770E+01 -8.9759E+00 H2 600 1.008000 0.423800 3.5809E+00 -1.8903E+01 -8.3104E+00 O6 601 15.999400 -0.847600 -1.1042E+01 1.4283E+01 4.0710E-02 H1 602 1.008000 0.423800 -1.1619E+01 1.3557E+01 4.1597E-01 H2 603 1.008000 0.423800 -1.0966E+01 1.5026E+01 7.0554E-01 O6 604 15.999400 -0.847600 1.6214E+01 8.5069E+00 -9.6681E+00 H1 605 1.008000 0.423800 1.5902E+01 7.8694E+00 -1.0373E+01 H2 606 1.008000 0.423800 1.5983E+01 8.1447E+00 -8.7651E+00 O6 607 15.999400 -0.847600 7.0331E+00 -1.9107E+01 1.6701E+01 H1 608 1.008000 0.423800 6.0705E+00 -1.8936E+01 1.6490E+01 H2 609 1.008000 0.423800 7.1238E+00 -1.9356E+01 1.7666E+01 O6 610 15.999400 -0.847600 1.7942E+01 -9.5916E+00 -9.7963E+00 H1 611 1.008000 0.423800 1.8110E+01 -9.0942E+00 -8.9452E+00 H2 612 1.008000 0.423800 1.7044E+01 -9.3422E+00 -1.0157E+01 O6 613 15.999400 -0.847600 2.7938E+00 1.5157E+01 -7.1244E+00 H1 614 1.008000 0.423800 2.7427E+00 1.6088E+01 -6.7612E+00 H2 615 1.008000 0.423800 1.9001E+00 1.4891E+01 -7.4852E+00 O6 616 15.999400 -0.847600 5.4483E-01 -4.1982E+00 -1.0301E+01 H1 617 1.008000 0.423800 3.4385E-02 -3.3480E+00 -1.0172E+01 H2 618 1.008000 0.423800 4.6909E-02 -4.9537E+00 -9.8751E+00 O6 619 15.999400 -0.847600 -1.2775E+01 -8.9332E+00 -3.3731E+00 H1 620 1.008000 0.423800 -1.3149E+01 -9.5977E+00 -4.0202E+00 H2 621 1.008000 0.423800 -1.2802E+01 -9.3157E+00 -2.4496E+00 O6 622 15.999400 -0.847600 1.1482E+01 2.1788E+00 1.9464E+01 H1 623 1.008000 0.423800 1.1902E+01 1.4223E+00 1.8963E+01 H2 624 1.008000 0.423800 1.0623E+01 2.4360E+00 1.9021E+01 O6 625 15.999400 -0.847600 1.1752E+01 1.4453E+01 1.2561E+00 H1 626 1.008000 0.423800 1.1124E+01 1.3793E+01 8.4504E-01 H2 627 1.008000 0.423800 1.2207E+01 1.4035E+01 2.0428E+00 O6 628 15.999400 -0.847600 1.5659E+01 -1.9001E+01 -1.1541E+01 H1 629 1.008000 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8.5781E-01 -1.7103E+01 -5.6516E+00 H2 663 1.008000 0.423800 7.7895E-01 -1.8720E+01 -5.8681E+00 O6 664 15.999400 -0.847600 1.9287E+01 -1.4474E+01 -7.0768E+00 H1 665 1.008000 0.423800 -1.8909E+01 -1.4105E+01 -7.3046E+00 H2 666 1.008000 0.423800 1.9070E+01 -1.5228E+01 -7.6960E+00 O6 667 15.999400 -0.847600 1.1097E+01 -1.3257E+01 1.6102E+01 H1 668 1.008000 0.423800 1.1672E+01 -1.3768E+01 1.6741E+01 H2 669 1.008000 0.423800 1.1677E+01 -1.2780E+01 1.5442E+01 O6 670 15.999400 -0.847600 -1.4573E+01 -1.2866E+01 -1.5627E+01 H1 671 1.008000 0.423800 -1.5369E+01 -1.3471E+01 -1.5641E+01 H2 672 1.008000 0.423800 -1.4091E+01 -1.2930E+01 -1.6501E+01 O6 673 15.999400 -0.847600 -5.8191E+00 1.1360E+01 1.6438E+01 H1 674 1.008000 0.423800 -4.9474E+00 1.1350E+01 1.5948E+01 H2 675 1.008000 0.423800 -6.5717E+00 1.1340E+01 1.5780E+01 O6 676 15.999400 -0.847600 1.2327E+01 2.4339E+00 -3.7108E+00 H1 677 1.008000 0.423800 1.2805E+01 2.6874E+00 -2.8694E+00 H2 678 1.008000 0.423800 1.1708E+01 3.1724E+00 -3.9781E+00 O6 679 15.999400 -0.847600 1.3815E+01 -1.6998E+00 8.3819E+00 H1 680 1.008000 0.423800 1.3428E+01 -7.9159E-01 8.2204E+00 H2 681 1.008000 0.423800 1.3134E+01 -2.3965E+00 8.1543E+00 O6 682 15.999400 -0.847600 -6.1131E+00 -1.1422E+01 1.6079E+01 H1 683 1.008000 0.423800 -6.7477E+00 -1.2095E+01 1.6459E+01 H2 684 1.008000 0.423800 -5.3179E+00 -1.1338E+01 1.6680E+01 O6 685 15.999400 -0.847600 -6.3620E+00 6.1059E+00 3.3195E+00 H1 686 1.008000 0.423800 -6.4712E+00 6.6666E+00 4.1403E+00 H2 687 1.008000 0.423800 -5.9063E+00 6.6414E+00 2.6084E+00 O6 688 15.999400 -0.847600 -9.1150E+00 -1.9252E+01 1.6876E+01 H1 689 1.008000 0.423800 -8.8505E+00 1.8887E+01 1.6767E+01 H2 690 1.008000 0.423800 -8.6076E+00 -1.8851E+01 1.7638E+01 O6 691 15.999400 -0.847600 -4.6742E+00 1.8294E+00 -1.8983E+01 H1 692 1.008000 0.423800 -5.5935E+00 1.5911E+00 -1.9296E+01 H2 693 1.008000 0.423800 -4.3754E+00 2.6696E+00 -1.9435E+01 O6 694 15.999400 -0.847600 -3.5205E-01 5.8037E+00 1.4890E+00 H1 695 1.008000 0.423800 7.8762E-03 4.8797E+00 1.6182E+00 H2 696 1.008000 0.423800 -1.3500E+00 5.7683E+00 1.4363E+00 O6 697 15.999400 -0.847600 4.3539E+00 9.6787E+00 1.8507E+01 H1 698 1.008000 0.423800 4.9278E+00 9.1336E+00 1.9118E+01 H2 699 1.008000 0.423800 4.7084E+00 9.6173E+00 1.7574E+01 O6 700 15.999400 -0.847600 1.4247E+01 -9.7614E+00 1.3690E+01 H1 701 1.008000 0.423800 1.5002E+01 -9.3491E+00 1.3179E+01 H2 702 1.008000 0.423800 1.3741E+01 -9.0463E+00 1.4171E+01 O6 703 15.999400 -0.847600 1.6264E+01 -1.7774E+01 -6.7762E+00 H1 704 1.008000 0.423800 1.6366E+01 -1.7399E+01 -7.6978E+00 H2 705 1.008000 0.423800 1.7021E+01 -1.8399E+01 -6.5860E+00 O6 706 15.999400 -0.847600 -9.6441E+00 7.3099E+00 3.6651E+00 H1 707 1.008000 0.423800 -8.6824E+00 7.1147E+00 3.4726E+00 H2 708 1.008000 0.423800 -9.9654E+00 6.7108E+00 4.3985E+00 O6 709 15.999400 -0.847600 -1.7993E+01 1.8032E+01 1.2454E+01 H1 710 1.008000 0.423800 -1.7969E+01 1.7034E+01 1.2518E+01 H2 711 1.008000 0.423800 -1.8828E+01 1.8315E+01 1.1981E+01 O6 712 15.999400 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-1.6692E+01 H2 729 1.008000 0.423800 -7.4071E+00 7.4708E+00 -1.5387E+01 O6 730 15.999400 -0.847600 -1.4352E+01 1.8358E+01 1.5804E+01 H1 731 1.008000 0.423800 -1.5294E+01 1.8654E+01 1.5966E+01 H2 732 1.008000 0.423800 -1.3842E+01 1.9097E+01 1.5364E+01 O6 733 15.999400 -0.847600 -1.7102E+01 -1.8000E+01 -1.8104E+01 H1 734 1.008000 0.423800 -1.7048E+01 -1.8691E+01 -1.7383E+01 H2 735 1.008000 0.423800 -1.8003E+01 -1.8039E+01 -1.8537E+01 O6 736 15.999400 -0.847600 1.2326E+01 -1.4998E+01 1.7929E+01 H1 737 1.008000 0.423800 1.2820E+01 -1.5158E+01 1.8783E+01 H2 738 1.008000 0.423800 1.1781E+01 -1.5805E+01 1.7702E+01 O6 739 15.999400 -0.847600 -1.5793E+01 -1.2866E+01 1.7259E+01 H1 740 1.008000 0.423800 -1.5785E+01 -1.2029E+01 1.7806E+01 H2 741 1.008000 0.423800 -1.6328E+01 -1.2716E+01 1.6427E+01 O6 742 15.999400 -0.847600 -1.3565E+01 1.4231E+01 9.0784E+00 H1 743 1.008000 0.423800 -1.4214E+01 1.4568E+01 9.7608E+00 H2 744 1.008000 0.423800 -1.2737E+01 1.4792E+01 9.1001E+00 O6 745 15.999400 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4.9847E+00 H2 762 1.008000 0.423800 2.6737E+00 1.7172E+01 3.5839E+00 O6 763 15.999400 -0.847600 -5.0098E+00 3.3674E+00 -8.1169E+00 H1 764 1.008000 0.423800 -5.2847E+00 2.4435E+00 -7.8506E+00 H2 765 1.008000 0.423800 -5.8242E+00 3.9161E+00 -8.3055E+00 O6 766 15.999400 -0.847600 -6.0381E-01 -1.1076E+01 -1.0642E+01 H1 767 1.008000 0.423800 -9.9834E-01 -1.1103E+01 -9.7234E+00 H2 768 1.008000 0.423800 -8.5539E-01 -1.0217E+01 -1.1088E+01 O6 769 15.999400 -0.847600 1.5361E+01 1.6925E-01 -8.1028E+00 H1 770 1.008000 0.423800 1.5408E+01 -6.1567E-01 -7.4850E+00 H2 771 1.008000 0.423800 1.6016E+01 8.6482E-01 -7.8091E+00 O6 772 15.999400 -0.847600 1.9020E+01 3.4284E+00 1.5505E+01 H1 773 1.008000 0.423800 1.8295E+01 2.7392E+00 1.5506E+01 H2 774 1.008000 0.423800 -1.9531E+01 3.3379E+00 1.6337E+01 O6 775 15.999400 -0.847600 -1.8657E+01 1.2663E+01 1.9214E+01 H1 776 1.008000 0.423800 -1.8619E+01 1.2399E+01 1.8250E+01 H2 777 1.008000 0.423800 -1.7770E+01 1.3029E+01 1.9495E+01 O6 778 15.999400 -0.847600 -1.2053E+01 7.3482E+00 -4.2105E+00 H1 779 1.008000 0.423800 -1.1544E+01 7.0216E+00 -3.4139E+00 H2 780 1.008000 0.423800 -1.2489E+01 8.2214E+00 -3.9925E+00 O6 781 15.999400 -0.847600 -2.5709E+00 -5.4116E+00 7.3856E+00 H1 782 1.008000 0.423800 -3.3489E+00 -5.6234E+00 6.7941E+00 H2 783 1.008000 0.423800 -2.1403E+00 -6.2622E+00 7.6872E+00 O6 784 15.999400 -0.847600 1.6173E+01 1.8314E+01 -6.3616E+00 H1 785 1.008000 0.423800 1.6683E+01 1.7480E+01 -6.5722E+00 H2 786 1.008000 0.423800 1.6540E+01 1.8727E+01 -5.5285E+00 O6 787 15.999400 -0.847600 4.0283E+00 1.0877E+01 -8.7308E+00 H1 788 1.008000 0.423800 4.0495E+00 1.1414E+01 -7.8875E+00 H2 789 1.008000 0.423800 4.6163E+00 1.1308E+01 -9.4152E+00 O6 790 15.999400 -0.847600 -8.4287E-01 1.5382E+01 -1.6931E+01 H1 791 1.008000 0.423800 -9.1113E-01 1.6019E+01 -1.6164E+01 H2 792 1.008000 0.423800 -1.6533E+00 1.4796E+01 -1.6951E+01 O6 793 15.999400 -0.847600 1.0676E+01 -5.5057E+00 -1.8001E+01 H1 794 1.008000 0.423800 1.1545E+01 -5.2784E+00 -1.7561E+01 H2 795 1.008000 0.423800 1.0239E+01 -6.2565E+00 -1.7507E+01 O6 796 15.999400 -0.847600 2.4249E+00 -1.8007E+01 7.0881E+00 H1 797 1.008000 0.423800 2.0669E+00 -1.8458E+01 7.9057E+00 H2 798 1.008000 0.423800 3.1274E+00 -1.8583E+01 6.6703E+00 O6 799 15.999400 -0.847600 1.5463E+01 -1.6726E+01 1.8054E+01 H1 800 1.008000 0.423800 1.6085E+01 -1.6436E+01 1.7327E+01 H2 801 1.008000 0.423800 1.4690E+01 -1.7219E+01 1.7656E+01 O6 802 15.999400 -0.847600 1.7128E+01 1.5789E+00 1.5306E+01 H1 803 1.008000 0.423800 1.6179E+01 1.8459E+00 1.5475E+01 H2 804 1.008000 0.423800 1.7243E+01 1.3465E+00 1.4340E+01 O6 805 15.999400 -0.847600 -1.9508E+01 -9.0785E+00 8.4605E+00 H1 806 1.008000 0.423800 1.9377E+01 -8.4096E+00 9.1727E+00 H2 807 1.008000 0.423800 1.9018E+01 -8.9046E+00 7.6586E+00 O6 808 15.999400 -0.847600 1.7744E+01 3.1073E-01 -4.5563E+00 H1 809 1.008000 0.423800 1.7225E+01 1.1200E+00 -4.2818E+00 H2 810 1.008000 0.423800 1.8397E+01 5.6045E-01 -5.2718E+00 O6 811 15.999400 -0.847600 -4.2225E+00 1.4230E+01 -1.0358E+01 H1 812 1.008000 0.423800 -5.0489E+00 1.4530E+01 -1.0835E+01 H2 813 1.008000 0.423800 -4.3144E+00 1.3267E+01 -1.0106E+01 O6 814 15.999400 -0.847600 -1.2247E+01 -1.7786E+01 -1.2587E+00 H1 815 1.008000 0.423800 -1.1413E+01 -1.7247E+01 -1.1411E+00 H2 816 1.008000 0.423800 -1.2959E+01 -1.7437E+01 -6.4931E-01 O6 817 15.999400 -0.847600 -1.2392E+01 7.5044E+00 9.1720E+00 H1 818 1.008000 0.423800 -1.2180E+01 8.4433E+00 9.4441E+00 H2 819 1.008000 0.423800 -1.3137E+01 7.1530E+00 9.7387E+00 O6 820 15.999400 -0.847600 1.9108E+01 3.3220E+00 7.7858E+00 H1 821 1.008000 0.423800 1.8444E+01 4.0497E+00 7.9585E+00 H2 822 1.008000 0.423800 1.8627E+01 2.4515E+00 7.6784E+00 O6 823 15.999400 -0.847600 2.4267E+00 -1.5278E+01 -1.5519E+01 H1 824 1.008000 0.423800 2.8769E+00 -1.4853E+01 -1.4733E+01 H2 825 1.008000 0.423800 2.8981E+00 -1.5009E+01 -1.6359E+01 O6 826 15.999400 -0.847600 -2.4918E+00 -6.1479E+00 2.8399E+00 H1 827 1.008000 0.423800 -2.9577E+00 -5.9808E+00 3.7088E+00 H2 828 1.008000 0.423800 -3.1680E+00 -6.2113E+00 2.1060E+00 O6 829 15.999400 -0.847600 -1.4947E+01 1.1246E+01 -1.7353E+01 H1 830 1.008000 0.423800 -1.4127E+01 1.0871E+01 -1.6920E+01 H2 831 1.008000 0.423800 -1.5735E+01 1.1106E+01 -1.6753E+01 O6 832 15.999400 -0.847600 9.3897E+00 -5.5509E+00 -2.2661E+00 H1 833 1.008000 0.423800 9.0935E+00 -5.1005E+00 -3.1084E+00 H2 834 1.008000 0.423800 8.8674E+00 -6.3939E+00 -2.1376E+00 O6 835 15.999400 -0.847600 1.6252E+01 -1.7292E+00 1.4357E+01 H1 836 1.008000 0.423800 1.6512E+01 -1.2865E+00 1.3499E+01 H2 837 1.008000 0.423800 1.5708E+01 -2.5452E+00 1.4160E+01 O6 838 15.999400 -0.847600 -2.8168E+00 1.2690E+01 7.5612E+00 H1 839 1.008000 0.423800 -2.7228E+00 1.3325E+01 6.7942E+00 H2 840 1.008000 0.423800 -2.2147E+00 1.2976E+01 8.3064E+00 O6 841 15.999400 -0.847600 -1.1743E+01 3.6804E+00 -6.7003E+00 H1 842 1.008000 0.423800 -1.1500E+01 4.3310E+00 -7.4197E+00 H2 843 1.008000 0.423800 -1.2094E+01 4.1770E+00 -5.9064E+00 O6 844 15.999400 -0.847600 5.8129E+00 -1.8334E+01 1.2080E+01 H1 845 1.008000 0.423800 6.4506E+00 -1.9093E+01 1.1948E+01 H2 846 1.008000 0.423800 6.2264E+00 -1.7653E+01 1.2685E+01 O6 847 15.999400 -0.847600 5.7836E+00 -1.1678E+01 1.3430E+01 H1 848 1.008000 0.423800 6.5095E+00 -1.1564E+01 1.2751E+01 H2 849 1.008000 0.423800 4.9002E+00 -1.1467E+01 1.3011E+01 O6 850 15.999400 -0.847600 -2.1529E+00 -1.9064E+01 -2.3329E+00 H1 851 1.008000 0.423800 -1.6621E+00 1.9480E+01 -1.6606E+00 H2 852 1.008000 0.423800 -2.4552E+00 -1.8212E+01 -1.9057E+00 O6 853 15.999400 -0.847600 1.8823E+01 5.5791E+00 1.4055E+00 H1 854 1.008000 0.423800 1.8899E+01 5.2414E+00 2.3437E+00 H2 855 1.008000 0.423800 -1.9372E+01 5.8517E+00 1.0743E+00 O6 856 15.999400 -0.847600 8.4329E+00 -5.6117E+00 -1.1544E+01 H1 857 1.008000 0.423800 7.5613E+00 -6.0633E+00 -1.1735E+01 H2 858 1.008000 0.423800 8.8997E+00 -6.0889E+00 -1.0800E+01 O6 859 15.999400 -0.847600 1.1598E+01 5.4292E+00 -8.5560E+00 H1 860 1.008000 0.423800 1.2213E+01 4.6636E+00 -8.3663E+00 H2 861 1.008000 0.423800 1.1555E+01 5.5859E+00 -9.5427E+00 O6 862 15.999400 -0.847600 1.0742E+01 -1.3847E+00 -1.1274E+01 H1 863 1.008000 0.423800 1.0458E+01 -8.3923E-01 -1.0486E+01 H2 864 1.008000 0.423800 1.0252E+01 -1.0738E+00 -1.2089E+01 O6 865 15.999400 -0.847600 1.4939E+01 -1.3935E+01 1.5786E+01 H1 866 1.008000 0.423800 1.4097E+01 -1.4435E+01 1.5990E+01 H2 867 1.008000 0.423800 1.5004E+01 -1.3782E+01 1.4800E+01 O6 868 15.999400 -0.847600 -1.7087E+01 -4.7701E+00 6.4195E-01 H1 869 1.008000 0.423800 -1.6790E+01 -3.9252E+00 1.0865E+00 H2 870 1.008000 0.423800 -1.7817E+01 -5.1908E+00 1.1806E+00 O6 871 15.999400 -0.847600 -9.0951E+00 -4.8829E-02 -4.5646E+00 H1 872 1.008000 0.423800 -8.1993E+00 -3.0017E-01 -4.1979E+00 H2 873 1.008000 0.423800 -9.1411E+00 -2.9803E-01 -5.5319E+00 O6 874 15.999400 -0.847600 -7.8960E+00 7.9804E+00 1.9028E+01 H1 875 1.008000 0.423800 -8.7981E+00 8.2606E+00 1.8700E+01 H2 876 1.008000 0.423800 -7.2333E+00 8.7056E+00 1.8841E+01 O6 877 15.999400 -0.847600 -1.6060E+01 2.7252E+00 -1.6893E+01 H1 878 1.008000 0.423800 -1.6984E+01 2.6769E+00 -1.6513E+01 H2 879 1.008000 0.423800 -1.5816E+01 1.8405E+00 -1.7290E+01 O6 880 15.999400 -0.847600 -1.2867E+01 1.6072E+01 -4.8256E+00 H1 881 1.008000 0.423800 -1.2175E+01 1.5598E+01 -5.3704E+00 H2 882 1.008000 0.423800 -1.2537E+01 1.6986E+01 -4.5908E+00 O6 883 15.999400 -0.847600 -7.1577E+00 -1.3928E+00 -1.7314E+01 H1 884 1.008000 0.423800 -7.1828E+00 -2.3424E+00 -1.7626E+01 H2 885 1.008000 0.423800 -6.5885E+00 -1.3266E+00 -1.6494E+01 O6 886 15.999400 -0.847600 -1.3197E+01 -1.0518E+01 2.2988E+00 H1 887 1.008000 0.423800 -1.2729E+01 -1.0705E+01 3.1622E+00 H2 888 1.008000 0.423800 -1.4179E+01 -1.0672E+01 2.4116E+00 O6 889 15.999400 -0.847600 4.5608E+00 1.8884E+01 5.8444E+00 H1 890 1.008000 0.423800 4.7138E+00 1.9235E+01 6.7683E+00 H2 891 1.008000 0.423800 5.4369E+00 1.8804E+01 5.3688E+00 O6 892 15.999400 -0.847600 2.5522E+00 1.5550E+01 1.2041E+01 H1 893 1.008000 0.423800 3.3824E+00 1.6033E+01 1.2319E+01 H2 894 1.008000 0.423800 2.4044E+00 1.5680E+01 1.1060E+01 O6 895 15.999400 -0.847600 1.5470E+01 -7.5222E+00 6.2106E+00 H1 896 1.008000 0.423800 1.6434E+01 -7.7807E+00 6.1518E+00 H2 897 1.008000 0.423800 1.4914E+01 -8.1966E+00 5.7248E+00 O6 898 15.999400 -0.847600 1.0639E-01 -1.3826E+01 1.4729E+01 H1 899 1.008000 0.423800 6.0293E-01 -1.2994E+01 1.4482E+01 H2 900 1.008000 0.423800 5.7105E-01 -1.4278E+01 1.5491E+01 O6 901 15.999400 -0.847600 -1.0108E+01 1.3752E+01 -1.8929E+01 H1 902 1.008000 0.423800 -9.5958E+00 1.4543E+01 -1.9265E+01 H2 903 1.008000 0.423800 -1.1054E+01 1.4022E+01 -1.8746E+01 O6 904 15.999400 -0.847600 -4.3397E+00 -1.5881E+01 -1.0176E+01 H1 905 1.008000 0.423800 -4.5826E+00 -1.6501E+01 -9.4297E+00 H2 906 1.008000 0.423800 -5.1498E+00 -1.5368E+01 -1.0460E+01 O6 907 15.999400 -0.847600 -1.8399E+00 9.2325E+00 1.6363E+01 H1 908 1.008000 0.423800 -2.0298E+00 9.9867E+00 1.6992E+01 H2 909 1.008000 0.423800 -8.7496E-01 8.9785E+00 1.6429E+01 O6 910 15.999400 -0.847600 -4.5336E+00 -1.1195E+01 2.0457E+00 H1 911 1.008000 0.423800 -4.0364E+00 -1.1288E+01 1.1830E+00 H2 912 1.008000 0.423800 -4.1153E+00 -1.1785E+01 2.7365E+00 O6 913 15.999400 -0.847600 -1.1935E+01 1.4894E+00 -8.2555E+00 H1 914 1.008000 0.423800 -1.2765E+01 1.4466E+00 -8.8111E+00 H2 915 1.008000 0.423800 -1.1937E+01 2.3324E+00 -7.7177E+00 O6 916 15.999400 -0.847600 1.2249E+01 1.8807E+01 -1.3125E+01 H1 917 1.008000 0.423800 1.1501E+01 1.9407E+01 -1.2841E+01 H2 918 1.008000 0.423800 1.2126E+01 1.7904E+01 -1.2712E+01 O6 919 15.999400 -0.847600 3.1422E+00 -5.2310E+00 1.8324E+01 H1 920 1.008000 0.423800 3.7979E+00 -5.5143E+00 1.9024E+01 H2 921 1.008000 0.423800 3.5472E+00 -4.5116E+00 1.7760E+01 O6 922 15.999400 -0.847600 -3.0589E+00 -1.8642E+01 -1.7781E+01 H1 923 1.008000 0.423800 -3.7508E+00 -1.8442E+01 -1.7087E+01 H2 924 1.008000 0.423800 -2.1552E+00 -1.8395E+01 -1.7431E+01 O6 925 15.999400 -0.847600 3.9589E+00 8.3283E+00 8.5358E+00 H1 926 1.008000 0.423800 3.7954E+00 8.0039E+00 7.6041E+00 H2 927 1.008000 0.423800 4.5651E+00 7.6894E+00 9.0095E+00 O6 928 15.999400 -0.847600 3.2065E+00 4.6138E+00 4.6347E+00 H1 929 1.008000 0.423800 4.1171E+00 4.4494E+00 5.0138E+00 H2 930 1.008000 0.423800 3.2888E+00 4.8860E+00 3.6760E+00 O6 931 15.999400 -0.847600 -1.5429E+01 9.0911E+00 7.4782E+00 H1 932 1.008000 0.423800 -1.5859E+01 9.3573E+00 8.3408E+00 H2 933 1.008000 0.423800 -1.4565E+01 9.5826E+00 7.3711E+00 O6 934 15.999400 -0.847600 3.1235E+00 8.3718E+00 1.1365E+01 H1 935 1.008000 0.423800 2.9851E+00 8.1900E+00 1.2338E+01 H2 936 1.008000 0.423800 2.9123E+00 7.5481E+00 1.0839E+01 O6 937 15.999400 -0.847600 3.8947E+00 -9.6397E+00 -7.2968E-01 H1 938 1.008000 0.423800 4.7825E+00 -9.1797E+00 -7.4526E-01 H2 939 1.008000 0.423800 3.8080E+00 -1.0168E+01 1.1484E-01 O6 940 15.999400 -0.847600 -2.8305E+00 9.3301E+00 -1.8150E+01 H1 941 1.008000 0.423800 -2.3849E+00 8.4640E+00 -1.8377E+01 H2 942 1.008000 0.423800 -3.3262E+00 9.2339E+00 -1.7287E+01 O6 943 15.999400 -0.847600 -4.1261E+00 -6.6698E+00 1.3236E+01 H1 944 1.008000 0.423800 -4.5934E+00 -7.4921E+00 1.2911E+01 H2 945 1.008000 0.423800 -4.1432E+00 -5.9719E+00 1.2520E+01 O6 946 15.999400 -0.847600 -4.0654E+00 -3.8646E+00 -8.2979E+00 H1 947 1.008000 0.423800 -3.8483E+00 -4.7065E+00 -8.7920E+00 H2 948 1.008000 0.423800 -4.9873E+00 -3.9305E+00 -7.9163E+00 O6 949 15.999400 -0.847600 1.5142E+01 -3.3823E+00 -1.3805E+00 H1 950 1.008000 0.423800 1.4754E+01 -4.2924E+00 -1.2341E+00 H2 951 1.008000 0.423800 1.5656E+01 -3.1047E+00 -5.6905E-01 O6 952 15.999400 -0.847600 1.1362E+01 1.4824E+01 -7.2331E+00 H1 953 1.008000 0.423800 1.1659E+01 1.5726E+01 -6.9215E+00 H2 954 1.008000 0.423800 1.0650E+01 1.4928E+01 -7.9275E+00 O6 955 15.999400 -0.847600 8.5827E+00 -8.1322E+00 -1.4511E+00 H1 956 1.008000 0.423800 7.6314E+00 -7.8487E+00 -1.3297E+00 H2 957 1.008000 0.423800 8.6091E+00 -9.0383E+00 -1.8733E+00 O6 958 15.999400 -0.847600 -9.3774E+00 -9.7307E+00 -5.7167E+00 H1 959 1.008000 0.423800 -8.5064E+00 -9.7580E+00 -6.2072E+00 H2 960 1.008000 0.423800 -9.6427E+00 -8.7791E+00 -5.5613E+00 O6 961 15.999400 -0.847600 1.2510E+01 -1.0886E+01 -2.3024E-01 H1 962 1.008000 0.423800 1.1959E+01 -1.0859E+01 -1.0645E+00 H2 963 1.008000 0.423800 1.3375E+01 -1.0408E+01 -3.8649E-01 O6 964 15.999400 -0.847600 1.3460E+01 1.1953E+00 8.6303E+00 H1 965 1.008000 0.423800 1.2770E+01 1.8114E+00 8.2507E+00 H2 966 1.008000 0.423800 1.4349E+01 1.3971E+00 8.2194E+00 O6 967 15.999400 -0.847600 -1.7307E+01 -4.4644E+00 8.4932E+00 H1 968 1.008000 0.423800 -1.6630E+01 -3.8066E+00 8.1645E+00 H2 969 1.008000 0.423800 -1.6881E+01 -5.3640E+00 8.5865E+00 O6 970 15.999400 -0.847600 1.5949E+01 1.1060E+01 3.7437E+00 H1 971 1.008000 0.423800 1.6573E+01 1.1687E+01 4.2104E+00 H2 972 1.008000 0.423800 1.5506E+01 1.0468E+01 4.4170E+00 O6 973 15.999400 -0.847600 -5.9557E+00 -1.7716E+01 -1.8301E+01 H1 974 1.008000 0.423800 -5.7318E+00 -1.7136E+01 -1.7518E+01 H2 975 1.008000 0.423800 -5.7184E+00 -1.7239E+01 -1.9148E+01 O6 976 15.999400 -0.847600 9.3669E+00 -1.6752E+01 5.6566E-02 H1 977 1.008000 0.423800 8.7555E+00 -1.7505E+01 3.0031E-01 H2 978 1.008000 0.423800 8.9230E+00 -1.6169E+01 -6.2420E-01 O6 979 15.999400 -0.847600 -5.9196E-02 -7.0783E+00 -1.7075E+01 H1 980 1.008000 0.423800 -3.3443E-01 -7.5554E+00 -1.7909E+01 H2 981 1.008000 0.423800 3.9675E-01 -6.2215E+00 -1.7315E+01 O6 982 15.999400 -0.847600 -1.7412E+01 2.8811E+00 1.4949E+01 H1 983 1.008000 0.423800 -1.8363E+01 3.1060E+00 1.4733E+01 H2 984 1.008000 0.423800 -1.6802E+01 3.4328E+00 1.4381E+01 O6 985 15.999400 -0.847600 -9.7185E-01 -7.6988E+00 8.0940E+00 H1 986 1.008000 0.423800 -2.4629E-01 -7.6494E+00 7.4075E+00 H2 987 1.008000 0.423800 -1.2953E+00 -8.6420E+00 8.1698E+00 O6 988 15.999400 -0.847600 5.5065E+00 9.3360E+00 1.1975E+01 H1 989 1.008000 0.423800 4.6734E+00 8.9914E+00 1.1542E+01 H2 990 1.008000 0.423800 6.0621E+00 8.5661E+00 1.2289E+01 O6 991 15.999400 -0.847600 -1.2025E+01 -6.4981E+00 -3.7272E+00 H1 992 1.008000 0.423800 -1.2163E+01 -7.4838E+00 -3.8228E+00 H2 993 1.008000 0.423800 -1.1855E+01 -6.2769E+00 -2.7668E+00 O6 994 15.999400 -0.847600 1.6941E+01 5.3836E+00 -6.1332E-01 H1 995 1.008000 0.423800 1.7520E+01 5.3523E+00 2.0150E-01 H2 996 1.008000 0.423800 1.6076E+01 5.8329E+00 -3.9045E-01 O6 997 15.999400 -0.847600 1.3571E+01 -1.3758E+01 6.0458E+00 H1 998 1.008000 0.423800 1.2796E+01 -1.3478E+01 5.4790E+00 H2 999 1.008000 0.423800 1.4251E+01 -1.3026E+01 6.0647E+00 O6 1000 15.999400 -0.847600 -7.7148E-01 -7.8445E+00 1.6516E+01 H1 1001 1.008000 0.423800 -1.7497E+00 -7.6602E+00 1.6611E+01 H2 1002 1.008000 0.423800 -2.5455E-01 -7.2007E+00 1.7080E+01 O6 1003 15.999400 -0.847600 -5.9695E+00 1.4800E+01 2.3455E+00 H1 1004 1.008000 0.423800 -5.7764E+00 1.4169E+01 1.5934E+00 H2 1005 1.008000 0.423800 -5.8823E+00 1.5742E+01 2.0218E+00 O6 1006 15.999400 -0.847600 -2.4232E+00 -9.5147E+00 1.2964E+01 H1 1007 1.008000 0.423800 -2.0671E+00 -1.0223E+01 1.2354E+01 H2 1008 1.008000 0.423800 -3.3840E+00 -9.3412E+00 1.2748E+01 O6 1009 15.999400 -0.847600 -1.5267E-01 1.4404E+01 1.8966E+01 H1 1010 1.008000 0.423800 -2.5153E-01 1.5399E+01 1.8965E+01 H2 1011 1.008000 0.423800 -4.7856E-01 1.4037E+01 -1.9260E+01 O6 1012 15.999400 -0.847600 1.2324E+01 3.9213E+00 7.3954E-01 H1 1013 1.008000 0.423800 1.2443E+01 4.7756E+00 1.2455E+00 H2 1014 1.008000 0.423800 1.1520E+01 3.4379E+00 1.0872E+00 O6 1015 15.999400 -0.847600 1.5284E-01 1.1597E+01 -9.1230E+00 H1 1016 1.008000 0.423800 -5.9939E-01 1.0939E+01 -9.0819E+00 H2 1017 1.008000 0.423800 6.9656E-01 1.1430E+01 -9.9455E+00 O6 1018 15.999400 -0.847600 -1.8494E+01 -7.5734E+00 -6.1074E+00 H1 1019 1.008000 0.423800 -1.9377E+01 -7.7322E+00 -5.6644E+00 H2 1020 1.008000 0.423800 -1.8634E+01 -7.4312E+00 -7.0873E+00 O6 1021 15.999400 -0.847600 1.5317E+01 -1.5457E+01 -1.4273E+01 H1 1022 1.008000 0.423800 1.4988E+01 -1.4517E+01 -1.4368E+01 H2 1023 1.008000 0.423800 1.4683E+01 -1.5976E+01 -1.3700E+01 O6 1024 15.999400 -0.847600 -9.5240E+00 -1.7795E+00 -1.3250E+01 H1 1025 1.008000 0.423800 -9.5842E+00 -2.6628E+00 -1.2785E+01 H2 1026 1.008000 0.423800 -1.0380E+01 -1.5984E+00 -1.3734E+01 O6 1027 15.999400 -0.847600 1.1162E+01 2.8936E+00 -1.7057E+01 H1 1028 1.008000 0.423800 1.1357E+01 2.6826E+00 -1.8015E+01 H2 1029 1.008000 0.423800 1.1377E+01 2.0985E+00 -1.6490E+01 O6 1030 15.999400 -0.847600 -8.0714E+00 1.7094E+01 9.0860E+00 H1 1031 1.008000 0.423800 -8.0559E+00 1.6108E+01 8.9185E+00 H2 1032 1.008000 0.423800 -7.8226E+00 1.7579E+01 8.2473E+00 O6 1033 15.999400 -0.847600 -6.7236E+00 8.0386E+00 5.0989E+00 H1 1034 1.008000 0.423800 -6.3983E+00 7.8852E+00 6.0320E+00 H2 1035 1.008000 0.423800 -6.2597E+00 8.8351E+00 4.7110E+00 O6 1036 15.999400 -0.847600 1.0935E+01 8.9172E+00 -1.4440E+01 H1 1037 1.008000 0.423800 1.0644E+01 8.2635E+00 -1.3741E+01 H2 1038 1.008000 0.423800 1.1913E+01 8.8028E+00 -1.4617E+01 O6 1039 15.999400 -0.847600 -1.5984E+01 1.5570E+01 -1.1964E+01 H1 1040 1.008000 0.423800 -1.6351E+01 1.6482E+01 -1.2146E+01 H2 1041 1.008000 0.423800 -1.5015E+01 1.5641E+01 -1.1727E+01 O6 1042 15.999400 -0.847600 -1.0340E+01 -1.1301E+00 -2.8662E-01 H1 1043 1.008000 0.423800 -1.0482E+01 -1.6887E+00 5.3054E-01 H2 1044 1.008000 0.423800 -1.0754E+01 -1.5829E+00 -1.0761E+00 O6 1045 15.999400 -0.847600 9.5587E+00 5.0581E+00 -1.6600E+01 H1 1046 1.008000 0.423800 1.0305E+01 4.4115E+00 -1.6760E+01 H2 1047 1.008000 0.423800 9.3457E+00 5.0860E+00 -1.5623E+01 O6 1048 15.999400 -0.847600 -9.7339E+00 1.9267E+01 -2.9809E+00 H1 1049 1.008000 0.423800 -9.3634E+00 1.8460E+01 -2.5207E+00 H2 1050 1.008000 0.423800 -9.6051E+00 -1.9027E+01 -2.3998E+00 O6 1051 15.999400 -0.847600 1.1548E+01 3.1090E-01 -1.6279E+01 H1 1052 1.008000 0.423800 1.2399E+01 4.8802E-01 -1.5784E+01 H2 1053 1.008000 0.423800 1.1666E+01 -4.8915E-01 -1.6868E+01 O6 1054 15.999400 -0.847600 -1.2542E+01 1.4087E+00 7.3924E+00 H1 1055 1.008000 0.423800 -1.1565E+01 1.4037E+00 7.6084E+00 H2 1056 1.008000 0.423800 -1.2667E+01 1.5955E+00 6.4180E+00 O6 1057 15.999400 -0.847600 1.9785E+00 -1.5528E+01 1.0809E+01 H1 1058 1.008000 0.423800 2.9642E+00 -1.5476E+01 1.0648E+01 H2 1059 1.008000 0.423800 1.4922E+00 -1.5375E+01 9.9487E+00 O6 1060 15.999400 -0.847600 -7.2910E+00 2.6056E+00 9.5664E+00 H1 1061 1.008000 0.423800 -8.1398E+00 2.6436E+00 9.0389E+00 H2 1062 1.008000 0.423800 -7.3788E+00 1.9213E+00 1.0290E+01 O6 1063 15.999400 -0.847600 -1.3310E+01 -1.8315E+01 -1.0045E+01 H1 1064 1.008000 0.423800 -1.3607E+01 -1.9139E+01 -1.0527E+01 H2 1065 1.008000 0.423800 -1.4099E+01 -1.7724E+01 -9.8772E+00 O6 1066 15.999400 -0.847600 -8.1500E+00 1.8200E+01 -5.3289E+00 H1 1067 1.008000 0.423800 -8.9418E+00 1.7820E+01 -5.8072E+00 H2 1068 1.008000 0.423800 -8.4547E+00 1.8667E+01 -4.4989E+00 O6 1069 15.999400 -0.847600 -1.0482E+01 1.1628E+01 1.4217E+01 H1 1070 1.008000 0.423800 -1.0647E+01 1.2115E+01 1.5075E+01 H2 1071 1.008000 0.423800 -1.1148E+01 1.0888E+01 1.4121E+01 O6 1072 15.999400 -0.847600 -1.9368E+01 1.0811E+01 -2.5658E+00 H1 1073 1.008000 0.423800 1.9155E+01 1.1468E+01 -2.0783E+00 H2 1074 1.008000 0.423800 -1.8459E+01 1.1204E+01 -2.7074E+00 O6 1075 15.999400 -0.847600 -1.0109E+01 4.1812E+00 -1.4463E+01 H1 1076 1.008000 0.423800 -1.0033E+01 4.2920E+00 -1.3472E+01 H2 1077 1.008000 0.423800 -9.7749E+00 3.2753E+00 -1.4724E+01 O6 1078 15.999400 -0.847600 -1.4403E+01 -1.8261E+01 -1.3419E+01 H1 1079 1.008000 0.423800 -1.5004E+01 -1.7558E+01 -1.3038E+01 H2 1080 1.008000 0.423800 -1.3449E+01 -1.7999E+01 -1.3274E+01 O6 1081 15.999400 -0.847600 -1.6676E+01 9.8481E+00 1.4425E+01 H1 1082 1.008000 0.423800 -1.6327E+01 1.0785E+01 1.4391E+01 H2 1083 1.008000 0.423800 -1.7599E+01 9.8221E+00 1.4041E+01 O6 1084 15.999400 -0.847600 1.5076E+01 -1.0796E+01 4.1188E+00 H1 1085 1.008000 0.423800 1.4388E+01 -1.0109E+01 4.3546E+00 H2 1086 1.008000 0.423800 1.5829E+01 -1.0753E+01 4.7757E+00 O6 1087 15.999400 -0.847600 -4.4736E+00 -1.5605E+01 1.3698E+01 H1 1088 1.008000 0.423800 -5.2004E+00 -1.5369E+01 1.3053E+01 H2 1089 1.008000 0.423800 -3.7868E+00 -1.4878E+01 1.3706E+01 O6 1090 15.999400 -0.847600 -2.7000E+00 -8.1268E-01 -1.4801E+00 H1 1091 1.008000 0.423800 -2.4840E+00 -2.4012E-01 -2.2710E+00 H2 1092 1.008000 0.423800 -1.8585E+00 -1.0278E+00 -9.8460E-01 O6 1093 15.999400 -0.847600 -1.6257E+00 1.6916E+01 1.1090E+01 H1 1094 1.008000 0.423800 -8.7296E-01 1.6397E+01 1.1494E+01 H2 1095 1.008000 0.423800 -1.6397E+00 1.7838E+01 1.1476E+01 O6 1096 15.999400 -0.847600 1.0999E+00 -1.5728E+01 1.6442E+01 H1 1097 1.008000 0.423800 9.7241E-01 -1.6539E+01 1.5871E+01 H2 1098 1.008000 0.423800 5.5022E-01 -1.5816E+01 1.7272E+01 O6 1099 15.999400 -0.847600 1.8180E+01 5.2701E-01 8.8107E-01 H1 1100 1.008000 0.423800 1.7306E+01 7.7014E-01 4.5986E-01 H2 1101 1.008000 0.423800 1.8346E+01 1.1191E+00 1.6696E+00 O6 1102 15.999400 -0.847600 1.2169E+01 -9.7612E+00 -1.4816E+01 H1 1103 1.008000 0.423800 1.2404E+01 -9.2133E+00 -1.4014E+01 H2 1104 1.008000 0.423800 1.3007E+01 -1.0061E+01 -1.5272E+01 O6 1105 15.999400 -0.847600 3.9833E+00 -1.3307E+00 -1.1752E+01 H1 1106 1.008000 0.423800 4.9800E+00 -1.3819E+00 -1.1689E+01 H2 1107 1.008000 0.423800 3.6590E+00 -5.2472E-01 -1.1257E+01 O6 1108 15.999400 -0.847600 -3.1262E+00 1.3497E+01 -1.8608E+01 H1 1109 1.008000 0.423800 -2.8472E+00 1.3143E+01 -1.7715E+01 H2 1110 1.008000 0.423800 -3.6001E+00 1.2779E+01 -1.9118E+01 O6 1111 15.999400 -0.847600 1.6678E+00 -1.8006E+01 3.1289E+00 H1 1112 1.008000 0.423800 2.5054E+00 -1.8525E+01 3.3001E+00 H2 1113 1.008000 0.423800 9.5552E-01 -1.8304E+01 3.7645E+00 O6 1114 15.999400 -0.847600 -4.7765E+00 7.3807E+00 -7.8064E+00 H1 1115 1.008000 0.423800 -5.3446E+00 8.0625E+00 -8.2672E+00 H2 1116 1.008000 0.423800 -4.3980E+00 7.7736E+00 -6.9684E+00 O6 1117 15.999400 -0.847600 6.6020E+00 -1.7284E+00 -1.1867E+01 H1 1118 1.008000 0.423800 7.0170E+00 -2.4652E+00 -1.1333E+01 H2 1119 1.008000 0.423800 6.3902E+00 -2.0614E+00 -1.2786E+01 O6 1120 15.999400 -0.847600 -8.9528E+00 7.7924E+00 -1.5132E+01 H1 1121 1.008000 0.423800 -8.6060E+00 8.2605E+00 -1.4319E+01 H2 1122 1.008000 0.423800 -8.9910E+00 8.4361E+00 -1.5896E+01 O6 1123 15.999400 -0.847600 -1.0941E+01 1.7300E+00 -1.7628E+01 H1 1124 1.008000 0.423800 -1.1754E+01 2.3028E+00 -1.7730E+01 H2 1125 1.008000 0.423800 -1.0284E+01 2.1882E+00 -1.7029E+01 O6 1126 15.999400 -0.847600 1.8991E+01 7.3567E+00 1.6998E+01 H1 1127 1.008000 0.423800 1.8898E+01 8.2899E+00 1.6651E+01 H2 1128 1.008000 0.423800 1.9248E+01 6.7465E+00 1.6249E+01 O6 1129 15.999400 -0.847600 -1.3636E+01 2.5767E+00 -2.6492E+00 H1 1130 1.008000 0.423800 -1.3698E+01 1.6174E+00 -2.3736E+00 H2 1131 1.008000 0.423800 -1.4328E+01 3.1090E+00 -2.1607E+00 O6 1132 15.999400 -0.847600 1.4588E-01 1.7516E+01 5.4044E+00 H1 1133 1.008000 0.423800 9.5829E-01 1.7230E+01 4.8962E+00 H2 1134 1.008000 0.423800 3.5429E-01 1.7536E+01 6.3822E+00 O6 1135 15.999400 -0.847600 5.0019E+00 1.1409E+01 -1.8362E+01 H1 1136 1.008000 0.423800 4.2130E+00 1.1048E+01 -1.7864E+01 H2 1137 1.008000 0.423800 4.9966E+00 1.1054E+01 -1.9297E+01 O6 1138 15.999400 -0.847600 1.0444E+01 -1.6297E+01 -1.5656E+01 H1 1139 1.008000 0.423800 1.1047E+01 -1.5747E+01 -1.5078E+01 H2 1140 1.008000 0.423800 1.0895E+01 -1.7161E+01 -1.5882E+01 O6 1141 15.999400 -0.847600 1.4754E+01 1.8583E+01 -1.8921E+01 H1 1142 1.008000 0.423800 1.5594E+01 1.8869E+01 -1.8461E+01 H2 1143 1.008000 0.423800 1.4373E+01 1.7785E+01 -1.8454E+01 O6 1144 15.999400 -0.847600 1.6744E+00 -9.0194E+00 -2.0855E+00 H1 1145 1.008000 0.423800 2.3876E+00 -8.8748E+00 -1.3996E+00 H2 1146 1.008000 0.423800 1.5722E+00 -8.1930E+00 -2.6393E+00 O6 1147 15.999400 -0.847600 1.5963E+01 6.6119E+00 -1.4336E+01 H1 1148 1.008000 0.423800 1.5908E+01 6.7115E+00 -1.3342E+01 H2 1149 1.008000 0.423800 1.5742E+01 5.6702E+00 -1.4589E+01 O6 1150 15.999400 -0.847600 -6.5582E+00 -8.5781E+00 -1.7170E+01 H1 1151 1.008000 0.423800 -6.1467E+00 -9.4192E+00 -1.6819E+01 H2 1152 1.008000 0.423800 -7.0673E+00 -8.7801E+00 -1.8007E+01 O6 1153 15.999400 -0.847600 -1.4132E+01 -1.1300E+01 6.0761E+00 H1 1154 1.008000 0.423800 -1.4318E+01 -1.1625E+01 7.0036E+00 H2 1155 1.008000 0.423800 -1.4979E+01 -1.1308E+01 5.5446E+00 O6 1156 15.999400 -0.847600 6.1091E+00 6.6067E+00 9.2197E+00 H1 1157 1.008000 0.423800 5.7696E+00 5.7138E+00 8.9238E+00 H2 1158 1.008000 0.423800 6.7837E+00 6.4822E+00 9.9474E+00 O6 1159 15.999400 -0.847600 6.9465E+00 1.3471E+01 -1.4721E+01 H1 1160 1.008000 0.423800 7.0308E+00 1.4306E+01 -1.4176E+01 H2 1161 1.008000 0.423800 7.8579E+00 1.3125E+01 -1.4943E+01 O6 1162 15.999400 -0.847600 -1.2534E+01 1.8271E+01 1.2183E+00 H1 1163 1.008000 0.423800 -1.2716E+01 1.7516E+01 1.8487E+00 H2 1164 1.008000 0.423800 -1.2568E+01 1.7935E+01 2.7716E-01 O6 1165 15.999400 -0.847600 1.7227E+01 -7.2342E+00 -8.1147E+00 H1 1166 1.008000 0.423800 1.8210E+01 -7.0523E+00 -8.1440E+00 H2 1167 1.008000 0.423800 1.6739E+01 -6.5067E+00 -8.5968E+00 O6 1168 15.999400 -0.847600 -4.7826E+00 1.5214E+01 1.2948E+01 H1 1169 1.008000 0.423800 -5.1790E+00 1.6118E+01 1.2791E+01 H2 1170 1.008000 0.423800 -3.9201E+00 1.5309E+01 1.3445E+01 O6 1171 15.999400 -0.847600 -1.8849E+01 -1.8419E+01 1.1338E+01 H1 1172 1.008000 0.423800 -1.9453E+01 -1.8119E+01 1.2077E+01 H2 1173 1.008000 0.423800 -1.8000E+01 -1.8778E+01 1.1726E+01 O6 1174 15.999400 -0.847600 1.1993E+01 -1.9909E+00 1.4791E+01 H1 1175 1.008000 0.423800 1.2820E+01 -1.4969E+00 1.5058E+01 H2 1176 1.008000 0.423800 1.2246E+01 -2.8331E+00 1.4315E+01 O6 1177 15.999400 -0.847600 1.2955E+01 -4.5998E+00 1.0596E+01 H1 1178 1.008000 0.423800 1.2605E+01 -5.3557E+00 1.0043E+01 H2 1179 1.008000 0.423800 1.2287E+01 -3.8555E+00 1.0604E+01 O6 1180 15.999400 -0.847600 2.7166E+00 7.8850E-01 -1.0217E+01 H1 1181 1.008000 0.423800 2.4612E+00 1.7161E+00 -9.9441E+00 H2 1182 1.008000 0.423800 3.1105E+00 3.0744E-01 -9.4336E+00 O6 1183 15.999400 -0.847600 -1.0096E+01 8.5770E-02 8.4000E+00 H1 1184 1.008000 0.423800 -9.6721E+00 -7.7232E-01 8.1096E+00 H2 1185 1.008000 0.423800 -1.0746E+01 -9.6429E-02 9.1373E+00 O6 1186 15.999400 -0.847600 3.1293E+00 8.1878E+00 -3.7566E+00 H1 1187 1.008000 0.423800 3.3230E+00 8.2283E+00 -2.7763E+00 H2 1188 1.008000 0.423800 2.3158E+00 7.6276E+00 -3.9127E+00 O6 1189 15.999400 -0.847600 1.4400E+01 -1.1577E+01 -1.0985E+01 H1 1190 1.008000 0.423800 1.4378E+01 -1.0629E+01 -1.1304E+01 H2 1191 1.008000 0.423800 1.5234E+01 -1.1730E+01 -1.0454E+01 O6 1192 15.999400 -0.847600 2.2686E+00 1.2121E+01 -2.0950E+00 H1 1193 1.008000 0.423800 2.0424E+00 1.1484E+01 -2.8312E+00 H2 1194 1.008000 0.423800 1.5595E+00 1.2083E+01 -1.3909E+00 O6 1195 15.999400 -0.847600 -1.7777E+01 -4.9930E-01 -1.8503E+01 H1 1196 1.008000 0.423800 -1.6800E+01 -2.8609E-01 -1.8497E+01 H2 1197 1.008000 0.423800 -1.7904E+01 -1.4837E+00 -1.8381E+01 O6 1198 15.999400 -0.847600 7.1497E+00 -7.4917E+00 -1.6369E+01 H1 1199 1.008000 0.423800 7.5701E+00 -7.9329E+00 -1.7162E+01 H2 1200 1.008000 0.423800 6.5848E+00 -8.1555E+00 -1.5879E+01 O6 1201 15.999400 -0.847600 -1.8347E+01 1.3164E+01 -6.7143E+00 H1 1202 1.008000 0.423800 -1.8275E+01 1.3689E+01 -5.8658E+00 H2 1203 1.008000 0.423800 -1.8132E+01 1.3757E+01 -7.4910E+00 O6 1204 15.999400 -0.847600 -1.0557E+01 3.4221E+00 5.0210E+00 H1 1205 1.008000 0.423800 -1.1522E+01 3.2899E+00 4.7956E+00 H2 1206 1.008000 0.423800 -9.9900E+00 2.9231E+00 4.3652E+00 O6 1207 15.999400 -0.847600 -9.9408E+00 -6.4301E+00 4.3951E+00 H1 1208 1.008000 0.423800 -8.9580E+00 -6.2567E+00 4.4589E+00 H2 1209 1.008000 0.423800 -1.0364E+01 -6.2807E+00 5.2886E+00 O6 1210 15.999400 -0.847600 -1.9771E+00 4.5516E+00 8.6346E+00 H1 1211 1.008000 0.423800 -2.7660E+00 4.2525E+00 9.1713E+00 H2 1212 1.008000 0.423800 -2.2533E+00 5.2898E+00 8.0192E+00 O6 1213 15.999400 -0.847600 1.4505E+01 1.0233E+01 -1.3887E+01 H1 1214 1.008000 0.423800 1.4230E+01 9.4392E+00 -1.4430E+01 H2 1215 1.008000 0.423800 1.4756E+01 1.0984E+01 -1.4498E+01 O6 1216 15.999400 -0.847600 1.7459E+01 1.5887E+01 -3.6956E+00 H1 1217 1.008000 0.423800 1.8225E+01 1.5857E+01 -3.0531E+00 H2 1218 1.008000 0.423800 1.7333E+01 1.4983E+01 -4.1052E+00 O6 1219 15.999400 -0.847600 1.7900E+01 1.5223E+01 -9.5543E+00 H1 1220 1.008000 0.423800 1.7150E+01 1.5863E+01 -9.7165E+00 H2 1221 1.008000 0.423800 1.8670E+01 1.5453E+01 -1.0150E+01 O6 1222 15.999400 -0.847600 8.6907E+00 1.1799E+01 -1.1066E+00 H1 1223 1.008000 0.423800 9.5334E+00 1.2062E+01 -6.3651E-01 H2 1224 1.008000 0.423800 8.7715E+00 1.0858E+01 -1.4346E+00 O6 1225 15.999400 -0.847600 -5.3365E+00 -4.3077E-01 9.9022E+00 H1 1226 1.008000 0.423800 -5.8293E+00 -4.9406E-01 9.0343E+00 H2 1227 1.008000 0.423800 -4.3780E+00 -2.0711E-01 9.7255E+00 O6 1228 15.999400 -0.847600 3.6079E+00 -6.8129E+00 -1.6204E+01 H1 1229 1.008000 0.423800 3.6850E+00 -7.7790E+00 -1.5958E+01 H2 1230 1.008000 0.423800 2.6443E+00 -6.5766E+00 -1.6329E+01 O6 1231 15.999400 -0.847600 -1.3617E-01 1.8985E+01 -5.1835E-01 H1 1232 1.008000 0.423800 7.0837E-01 1.8482E+01 -7.0230E-01 H2 1233 1.008000 0.423800 7.7572E-02 -1.9275E+01 -1.5891E-02 O6 1234 15.999400 -0.847600 1.3741E+00 1.7784E+01 -1.4247E+01 H1 1235 1.008000 0.423800 4.2226E-01 1.7502E+01 -1.4366E+01 H2 1236 1.008000 0.423800 1.4507E+00 1.8362E+01 -1.3434E+01 O6 1237 15.999400 -0.847600 -9.5214E+00 1.0204E+01 -1.6698E+01 H1 1238 1.008000 0.423800 -1.0501E+01 1.0297E+01 -1.6523E+01 H2 1239 1.008000 0.423800 -9.2767E+00 1.0734E+01 -1.7510E+01 O6 1240 15.999400 -0.847600 -9.2894E+00 -6.7358E+00 -1.3328E+00 H1 1241 1.008000 0.423800 -9.4631E+00 -6.6382E+00 -2.3128E+00 H2 1242 1.008000 0.423800 -8.6571E+00 -7.4954E+00 -1.1805E+00 O6 1243 15.999400 -0.847600 1.3262E+01 1.7133E+01 -2.9196E+00 H1 1244 1.008000 0.423800 1.3857E+01 1.7540E+01 -2.2264E+00 H2 1245 1.008000 0.423800 1.2591E+01 1.6540E+01 -2.4758E+00 O6 1246 15.999400 -0.847600 1.0381E+01 1.0235E+01 -1.9073E+01 H1 1247 1.008000 0.423800 1.0550E+01 9.5227E+00 -1.8392E+01 H2 1248 1.008000 0.423800 9.7541E+00 1.0916E+01 -1.8695E+01 O6 1249 15.999400 -0.847600 -8.7895E+00 -6.0299E+00 1.6972E+01 H1 1250 1.008000 0.423800 -7.9232E+00 -5.8255E+00 1.7428E+01 H2 1251 1.008000 0.423800 -9.5205E+00 -5.4883E+00 1.7387E+01 O6 1252 15.999400 -0.847600 -6.6621E+00 1.6946E+01 -1.9190E+01 H1 1253 1.008000 0.423800 -6.7170E+00 1.7425E+01 -1.8314E+01 H2 1254 1.008000 0.423800 -5.9729E+00 1.7385E+01 1.9331E+01 O6 1255 15.999400 -0.847600 -7.9737E+00 -4.1115E+00 -1.2414E+00 H1 1256 1.008000 0.423800 -7.9491E+00 -4.7998E+00 -5.1636E-01 H2 1257 1.008000 0.423800 -8.9234E+00 -3.8664E+00 -1.4361E+00 O6 1258 15.999400 -0.847600 -5.3849E+00 -8.6329E+00 3.0070E+00 H1 1259 1.008000 0.423800 -4.7915E+00 -9.3235E+00 2.5935E+00 H2 1260 1.008000 0.423800 -6.3407E+00 -8.8601E+00 2.8207E+00 O6 1261 15.999400 -0.847600 -1.0323E+01 7.4929E+00 1.8071E+01 H1 1262 1.008000 0.423800 -9.8728E+00 6.6884E+00 1.7684E+01 H2 1263 1.008000 0.423800 -1.0951E+01 7.8801E+00 1.7396E+01 O6 1264 15.999400 -0.847600 1.3320E+01 -4.4591E+00 -6.3739E+00 H1 1265 1.008000 0.423800 1.2718E+01 -3.9181E+00 -5.7865E+00 H2 1266 1.008000 0.423800 1.3708E+01 -3.8720E+00 -7.0841E+00 O6 1267 15.999400 -0.847600 -1.6451E+01 1.6859E+01 -1.9316E+01 H1 1268 1.008000 0.423800 -1.6410E+01 1.7814E+01 1.9487E+01 H2 1269 1.008000 0.423800 -1.6516E+01 1.6820E+01 -1.8319E+01 O6 1270 15.999400 -0.847600 -1.0749E+01 1.7231E+01 -1.5451E+01 H1 1271 1.008000 0.423800 -1.0769E+01 1.7927E+01 -1.4733E+01 H2 1272 1.008000 0.423800 -1.0572E+01 1.7667E+01 -1.6333E+01 O6 1273 15.999400 -0.847600 -1.5421E+01 7.0843E+00 1.7511E+01 H1 1274 1.008000 0.423800 -1.6015E+01 6.2889E+00 1.7632E+01 H2 1275 1.008000 0.423800 -1.5658E+01 7.7830E+00 1.8186E+01 O6 1276 15.999400 -0.847600 1.5801E+01 4.1818E+00 1.9546E+01 H1 1277 1.008000 0.423800 1.5401E+01 3.2720E+00 1.9434E+01 H2 1278 1.008000 0.423800 1.6796E+01 4.1033E+00 -1.9489E+01 O6 1279 15.999400 -0.847600 -9.9049E+00 8.1070E+00 -5.6347E+00 H1 1280 1.008000 0.423800 -1.0648E+01 7.8378E+00 -5.0225E+00 H2 1281 1.008000 0.423800 -9.4686E+00 7.2888E+00 -6.0090E+00 O6 1282 15.999400 -0.847600 -1.5368E+01 -1.6768E+01 -9.4114E+00 H1 1283 1.008000 0.423800 -1.4814E+01 -1.6158E+01 -8.8455E+00 H2 1284 1.008000 0.423800 -1.6237E+01 -1.6953E+01 -8.9510E+00 O6 1285 15.999400 -0.847600 -1.4565E+01 -1.0368E+01 -5.5121E+00 H1 1286 1.008000 0.423800 -1.5146E+01 -1.0788E+01 -6.2098E+00 H2 1287 1.008000 0.423800 -1.3696E+01 -1.0093E+01 -5.9233E+00 O6 1288 15.999400 -0.847600 -1.5897E+01 -1.1567E+00 -3.2279E+00 H1 1289 1.008000 0.423800 -1.5555E+01 -1.6987E+00 -2.4601E+00 H2 1290 1.008000 0.423800 -1.6266E+01 -2.9218E-01 -2.8873E+00 O6 1291 15.999400 -0.847600 3.8732E+00 -1.5782E+01 -1.2305E+01 H1 1292 1.008000 0.423800 3.3948E+00 -1.5185E+01 -1.1661E+01 H2 1293 1.008000 0.423800 4.3197E+00 -1.5226E+01 -1.3006E+01 O6 1294 15.999400 -0.847600 2.4318E+00 -1.9212E+01 1.8319E+01 H1 1295 1.008000 0.423800 2.1123E+00 -1.8970E+01 1.7403E+01 H2 1296 1.008000 0.423800 1.6458E+00 -1.9412E+01 1.8904E+01 O6 1297 15.999400 -0.847600 -5.4842E+00 1.5992E+01 6.4949E+00 H1 1298 1.008000 0.423800 -5.3719E+00 1.6535E+01 7.3271E+00 H2 1299 1.008000 0.423800 -5.3832E+00 1.5022E+01 6.7140E+00 O6 1300 15.999400 -0.847600 -4.3518E-01 1.0708E+00 -9.0891E+00 H1 1301 1.008000 0.423800 1.5380E-01 1.8782E+00 -9.1241E+00 H2 1302 1.008000 0.423800 -1.3895E+00 1.3577E+00 -9.0060E+00 O6 1303 15.999400 -0.847600 -3.6812E+00 -2.8581E+00 5.8224E+00 H1 1304 1.008000 0.423800 -3.1738E+00 -2.6701E+00 4.9815E+00 H2 1305 1.008000 0.423800 -4.2316E+00 -3.6843E+00 5.7020E+00 O6 1306 15.999400 -0.847600 1.5783E+01 -1.0675E+01 1.5866E+01 H1 1307 1.008000 0.423800 1.5127E+01 -1.0734E+01 1.5114E+01 H2 1308 1.008000 0.423800 1.5974E+01 -9.7137E+00 1.6066E+01 O6 1309 15.999400 -0.847600 6.1819E+00 1.3831E+01 -1.7270E+01 H1 1310 1.008000 0.423800 5.9792E+00 1.3054E+01 -1.7866E+01 H2 1311 1.008000 0.423800 6.4129E+00 1.3497E+01 -1.6356E+01 O6 1312 15.999400 -0.847600 -3.1984E+00 -1.1553E+01 1.9434E+01 H1 1313 1.008000 0.423800 -3.4498E+00 -1.0906E+01 1.8714E+01 H2 1314 1.008000 0.423800 -3.2321E+00 -1.1094E+01 -1.8776E+01 O6 1315 15.999400 -0.847600 1.2988E+01 -7.5030E+00 1.4373E+01 H1 1316 1.008000 0.423800 1.3324E+01 -7.3689E+00 1.5305E+01 H2 1317 1.008000 0.423800 1.1988E+01 -7.4863E+00 1.4373E+01 O6 1318 15.999400 -0.847600 -1.2989E+01 9.8568E+00 6.1842E+00 H1 1319 1.008000 0.423800 -1.3308E+01 1.0702E+01 5.7548E+00 H2 1320 1.008000 0.423800 -1.2774E+01 1.0032E+01 7.1449E+00 O6 1321 15.999400 -0.847600 -6.6911E+00 -3.4083E+00 -7.2512E+00 H1 1322 1.008000 0.423800 -7.3942E+00 -3.7615E+00 -7.8684E+00 H2 1323 1.008000 0.423800 -7.0449E+00 -3.3945E+00 -6.3160E+00 O6 1324 15.999400 -0.847600 -4.1155E+00 7.5119E+00 -1.2176E+00 H1 1325 1.008000 0.423800 -4.6492E+00 7.4880E+00 -2.0629E+00 H2 1326 1.008000 0.423800 -3.1408E+00 7.4745E+00 -1.4377E+00 O6 1327 15.999400 -0.847600 -1.2986E+01 -4.0245E+00 1.6537E+01 H1 1328 1.008000 0.423800 -1.2399E+01 -3.2248E+00 1.6408E+01 H2 1329 1.008000 0.423800 -1.2796E+01 -4.6953E+00 1.5820E+01 O6 1330 15.999400 -0.847600 1.0348E+01 -9.0601E+00 1.5865E+01 H1 1331 1.008000 0.423800 9.9084E+00 -9.8145E+00 1.5378E+01 H2 1332 1.008000 0.423800 9.6509E+00 -8.4174E+00 1.6183E+01 O6 1333 15.999400 -0.847600 -3.8688E+00 -1.6875E+01 -1.4741E+01 H1 1334 1.008000 0.423800 -4.1571E+00 -1.7826E+01 -1.4856E+01 H2 1335 1.008000 0.423800 -2.9000E+00 -1.6848E+01 -1.4495E+01 O6 1336 15.999400 -0.847600 -1.1876E+01 1.8549E+01 -4.5455E+00 H1 1337 1.008000 0.423800 -1.1034E+01 1.8767E+01 -4.0520E+00 H2 1338 1.008000 0.423800 -1.1800E+01 1.8866E+01 -5.4909E+00 O6 1339 15.999400 -0.847600 1.7782E+01 1.2549E+01 -1.5655E+00 H1 1340 1.008000 0.423800 1.7379E+01 1.2150E+01 -7.4186E-01 H2 1341 1.008000 0.423800 1.8583E+01 1.3092E+01 -1.3147E+00 O6 1342 15.999400 -0.847600 -1.5990E+00 7.5869E+00 -1.4296E+01 H1 1343 1.008000 0.423800 -1.6602E+00 7.9414E+00 -1.3363E+01 H2 1344 1.008000 0.423800 -1.8708E+00 6.6246E+00 -1.4306E+01 O6 1345 15.999400 -0.847600 1.5272E+01 1.9224E+01 1.7581E+01 H1 1346 1.008000 0.423800 1.5161E+01 1.8845E+01 1.8500E+01 H2 1347 1.008000 0.423800 1.4551E+01 -1.9203E+01 1.7408E+01 O6 1348 15.999400 -0.847600 1.0360E+01 -1.0351E+01 -1.6657E+01 H1 1349 1.008000 0.423800 1.0881E+01 -1.1146E+01 -1.6969E+01 H2 1350 1.008000 0.423800 1.0933E+01 -9.7899E+00 -1.6060E+01 O6 1351 15.999400 -0.847600 1.3240E+01 1.3552E+01 -9.8450E+00 H1 1352 1.008000 0.423800 1.3222E+01 1.4536E+01 -9.6651E+00 H2 1353 1.008000 0.423800 1.2524E+01 1.3103E+01 -9.3102E+00 O6 1354 15.999400 -0.847600 -6.9706E+00 2.9274E-01 4.0910E+00 H1 1355 1.008000 0.423800 -6.0084E+00 2.0726E-01 3.8325E+00 H2 1356 1.008000 0.423800 -7.0418E+00 8.0848E-01 4.9447E+00 O6 1357 15.999400 -0.847600 5.8921E+00 6.1874E+00 1.8248E+01 H1 1358 1.008000 0.423800 6.0979E+00 7.1611E+00 1.8346E+01 H2 1359 1.008000 0.423800 4.9884E+00 5.9976E+00 1.8632E+01 O6 1360 15.999400 -0.847600 -9.5962E+00 8.1844E-01 -1.0476E+01 H1 1361 1.008000 0.423800 -9.8519E+00 -1.4258E-01 -1.0582E+01 H2 1362 1.008000 0.423800 -9.9073E+00 1.1502E+00 -9.5857E+00 O6 1363 15.999400 -0.847600 -3.2633E+00 -5.6020E+00 -1.8354E+00 H1 1364 1.008000 0.423800 -2.9678E+00 -5.0397E+00 -1.0631E+00 H2 1365 1.008000 0.423800 -4.2612E+00 -5.5850E+00 -1.8975E+00 O6 1366 15.999400 -0.847600 1.9138E+00 1.4656E+01 1.4780E+01 H1 1367 1.008000 0.423800 1.9789E+00 1.5014E+01 1.3849E+01 H2 1368 1.008000 0.423800 1.8617E+00 1.3658E+01 1.4750E+01 O6 1369 15.999400 -0.847600 -5.9235E+00 -5.6755E+00 -2.2575E+00 H1 1370 1.008000 0.423800 -6.3954E+00 -6.4307E+00 -2.7124E+00 H2 1371 1.008000 0.423800 -6.5494E+00 -4.9018E+00 -2.1599E+00 O6 1372 15.999400 -0.847600 9.3262E+00 -1.3812E+01 6.9085E-01 H1 1373 1.008000 0.423800 9.7041E+00 -1.4737E+01 7.3838E-01 H2 1374 1.008000 0.423800 8.3277E+00 -1.3858E+01 7.2067E-01 O6 1375 15.999400 -0.847600 1.7592E+01 1.8943E+01 1.4335E+01 H1 1376 1.008000 0.423800 1.7608E+01 1.8319E+01 1.3553E+01 H2 1377 1.008000 0.423800 1.8528E+01 1.9199E+01 1.4576E+01 O6 1378 15.999400 -0.847600 1.4731E+01 5.9405E+00 1.4115E+01 H1 1379 1.008000 0.423800 1.5322E+01 5.2979E+00 1.3627E+01 H2 1380 1.008000 0.423800 1.4565E+01 5.6031E+00 1.5041E+01 O6 1381 15.999400 -0.847600 -1.6063E+01 1.7443E+00 -6.4710E+00 H1 1382 1.008000 0.423800 -1.7013E+01 1.7381E+00 -6.1570E+00 H2 1383 1.008000 0.423800 -1.5645E+01 2.6251E+00 -6.2499E+00 O6 1384 15.999400 -0.847600 1.7464E+01 1.0305E+01 9.4862E+00 H1 1385 1.008000 0.423800 1.7451E+01 1.0133E+01 8.5012E+00 H2 1386 1.008000 0.423800 1.8026E+01 9.6123E+00 9.9382E+00 O6 1387 15.999400 -0.847600 -1.2527E+01 -1.9284E+01 -7.1034E+00 H1 1388 1.008000 0.423800 -1.2295E+01 -1.8900E+01 -7.9971E+00 H2 1389 1.008000 0.423800 -1.3520E+01 -1.9276E+01 -6.9854E+00 O6 1390 15.999400 -0.847600 -3.4090E+00 -1.4122E+01 -1.8743E+00 H1 1391 1.008000 0.423800 -3.2521E+00 -1.3465E+01 -2.6113E+00 H2 1392 1.008000 0.423800 -2.6671E+00 -1.4058E+01 -1.2068E+00 O6 1393 15.999400 -0.847600 1.9375E+01 1.0560E+01 -6.9543E+00 H1 1394 1.008000 0.423800 1.9128E+01 1.0316E+01 -7.8922E+00 H2 1395 1.008000 0.423800 -1.9318E+01 1.1474E+01 -6.9429E+00 O6 1396 15.999400 -0.847600 -9.9508E+00 1.5257E+01 6.3969E+00 H1 1397 1.008000 0.423800 -1.0656E+01 1.4555E+01 6.4977E+00 H2 1398 1.008000 0.423800 -9.2967E+00 1.4975E+01 5.6953E+00 O6 1399 15.999400 -0.847600 5.9093E+00 -9.8668E+00 -1.0102E+01 H1 1400 1.008000 0.423800 5.8479E+00 -9.7879E+00 -9.1071E+00 H2 1401 1.008000 0.423800 5.0868E+00 -1.0315E+01 -1.0452E+01 O6 1402 15.999400 -0.847600 5.3293E+00 -5.4103E-01 -5.3439E-01 H1 1403 1.008000 0.423800 6.2290E+00 -8.9778E-01 -7.8619E-01 H2 1404 1.008000 0.423800 4.6371E+00 -1.2469E+00 -6.8415E-01 O6 1405 15.999400 -0.847600 1.0013E+01 8.4996E+00 -2.5649E+00 H1 1406 1.008000 0.423800 9.0626E+00 8.7880E+00 -2.4464E+00 H2 1407 1.008000 0.423800 1.0263E+01 8.5648E+00 -3.5309E+00 O6 1408 15.999400 -0.847600 -7.3429E+00 1.1571E+01 7.1188E+00 H1 1409 1.008000 0.423800 -8.1119E+00 1.1814E+01 6.5278E+00 H2 1410 1.008000 0.423800 -7.6571E+00 1.0947E+01 7.8343E+00 O6 1411 15.999400 -0.847600 -9.2965E+00 1.0695E+01 -4.8477E+00 H1 1412 1.008000 0.423800 -9.3307E+00 9.7126E+00 -5.0312E+00 H2 1413 1.008000 0.423800 -9.5089E+00 1.0862E+01 -3.8848E+00 O6 1414 15.999400 -0.847600 -1.6602E+01 -1.0418E+01 -7.6645E+00 H1 1415 1.008000 0.423800 -1.7455E+01 -1.0546E+01 -7.1586E+00 H2 1416 1.008000 0.423800 -1.6807E+01 -1.0274E+01 -8.6325E+00 O6 1417 15.999400 -0.847600 -9.3554E+00 -2.5432E+00 8.3295E+00 H1 1418 1.008000 0.423800 -1.0248E+01 -2.9094E+00 8.5919E+00 H2 1419 1.008000 0.423800 -8.6654E+00 -2.8434E+00 8.9880E+00 O6 1420 15.999400 -0.847600 -1.7402E+01 1.9467E+01 8.8455E+00 H1 1421 1.008000 0.423800 -1.8357E+01 1.9215E+01 9.0013E+00 H2 1422 1.008000 0.423800 -1.7317E+01 -1.9180E+01 7.9572E+00 O6 1423 15.999400 -0.847600 7.3956E+00 -1.8136E+01 1.9261E+00 H1 1424 1.008000 0.423800 7.2952E+00 -1.8360E+01 2.8955E+00 H2 1425 1.008000 0.423800 6.9724E+00 -1.8853E+01 1.3725E+00 O6 1426 15.999400 -0.847600 -3.6388E+00 -6.9842E+00 -4.7948E+00 H1 1427 1.008000 0.423800 -3.7404E+00 -6.7541E+00 -3.8269E+00 H2 1428 1.008000 0.423800 -4.4613E+00 -6.7067E+00 -5.2913E+00 O6 1429 15.999400 -0.847600 1.1422E+00 -1.7891E+01 1.4858E+01 H1 1430 1.008000 0.423800 1.7591E+00 -1.7415E+01 1.4231E+01 H2 1431 1.008000 0.423800 5.6221E-01 -1.8520E+01 1.4340E+01 O6 1432 15.999400 -0.847600 -4.3745E+00 1.5340E+00 -1.4515E+01 H1 1433 1.008000 0.423800 -3.6276E+00 1.7168E+00 -1.5154E+01 H2 1434 1.008000 0.423800 -4.0043E+00 1.4244E+00 -1.3592E+01 O6 1435 15.999400 -0.847600 -1.9521E+01 -5.2215E+00 1.1487E+01 H1 1436 1.008000 0.423800 -1.8625E+01 -4.7852E+00 1.1569E+01 H2 1437 1.008000 0.423800 1.8860E+01 -4.5519E+00 1.1685E+01 O6 1438 15.999400 -0.847600 -5.7561E+00 5.7671E+00 -1.3611E+01 H1 1439 1.008000 0.423800 -6.1554E+00 6.3000E+00 -1.4357E+01 H2 1440 1.008000 0.423800 -5.1515E+00 5.0659E+00 -1.3988E+01 O6 1441 15.999400 -0.847600 -6.5404E+00 1.4560E+01 -4.3729E+00 H1 1442 1.008000 0.423800 -7.5228E+00 1.4722E+01 -4.2791E+00 H2 1443 1.008000 0.423800 -6.2161E+00 1.4965E+01 -5.2277E+00 O6 1444 15.999400 -0.847600 9.1853E+00 8.0162E+00 1.6789E+00 H1 1445 1.008000 0.423800 8.8404E+00 8.9542E+00 1.7135E+00 H2 1446 1.008000 0.423800 8.4482E+00 7.4001E+00 1.4011E+00 O6 1447 15.999400 -0.847600 8.4837E+00 1.8323E+01 -1.0066E+01 H1 1448 1.008000 0.423800 7.4958E+00 1.8463E+01 -9.9981E+00 H2 1449 1.008000 0.423800 8.8910E+00 1.8371E+01 -9.1544E+00 O6 1450 15.999400 -0.847600 1.8371E+01 -1.4970E+01 4.5271E-01 H1 1451 1.008000 0.423800 1.7464E+01 -1.4549E+01 4.8441E-01 H2 1452 1.008000 0.423800 1.8409E+01 -1.5622E+01 -3.0448E-01 O6 1453 15.999400 -0.847600 8.6966E+00 8.9272E+00 -8.0157E+00 H1 1454 1.008000 0.423800 9.5736E+00 8.4670E+00 -7.8776E+00 H2 1455 1.008000 0.423800 8.8128E+00 9.6776E+00 -8.6664E+00 O6 1456 15.999400 -0.847600 7.5369E+00 -4.6265E+00 -4.5505E+00 H1 1457 1.008000 0.423800 8.4035E+00 -4.8338E+00 -5.0044E+00 H2 1458 1.008000 0.423800 7.0086E+00 -5.4684E+00 -4.4406E+00 O6 1459 15.999400 -0.847600 1.9031E+01 1.4900E+01 4.5872E-01 H1 1460 1.008000 0.423800 1.8953E+01 1.5873E+01 6.7729E-01 H2 1461 1.008000 0.423800 -1.9357E+01 1.4486E+01 1.0276E+00 O6 1462 15.999400 -0.847600 1.2332E+01 1.5166E+01 1.0986E+01 H1 1463 1.008000 0.423800 1.2893E+01 1.4624E+01 1.1611E+01 H2 1464 1.008000 0.423800 1.2912E+01 1.5562E+01 1.0274E+01 O6 1465 15.999400 -0.847600 -1.1583E+01 1.2486E+00 -5.1235E+00 H1 1466 1.008000 0.423800 -1.0688E+01 8.7736E-01 -4.8778E+00 H2 1467 1.008000 0.423800 -1.1469E+01 2.1619E+00 -5.5144E+00 O6 1468 15.999400 -0.847600 7.6412E+00 3.4461E+00 7.8307E+00 H1 1469 1.008000 0.423800 8.3005E+00 3.9267E+00 8.4090E+00 H2 1470 1.008000 0.423800 8.0260E+00 2.5685E+00 7.5450E+00 O6 1471 15.999400 -0.847600 1.7271E+01 1.7113E+01 7.3001E+00 H1 1472 1.008000 0.423800 1.8055E+01 1.6998E+01 6.6899E+00 H2 1473 1.008000 0.423800 1.6516E+01 1.6538E+01 6.9851E+00 O6 1474 15.999400 -0.847600 1.3065E+01 -1.5893E+01 1.4378E+01 H1 1475 1.008000 0.423800 1.3648E+01 -1.6502E+01 1.3840E+01 H2 1476 1.008000 0.423800 1.2596E+01 -1.5256E+01 1.3766E+01 O6 1477 15.999400 -0.847600 5.6049E+00 1.1226E+01 -1.3475E+01 H1 1478 1.008000 0.423800 6.5674E+00 1.1122E+01 -1.3224E+01 H2 1479 1.008000 0.423800 5.5233E+00 1.1895E+01 -1.4214E+01 O6 1480 15.999400 -0.847600 -4.2068E+00 -1.0524E+01 -5.2878E+00 H1 1481 1.008000 0.423800 -4.0195E+00 -1.1063E+01 -6.1096E+00 H2 1482 1.008000 0.423800 -4.3538E+00 -9.5685E+00 -5.5418E+00 O6 1483 15.999400 -0.847600 -1.4016E+00 -1.8106E+01 -9.1414E+00 H1 1484 1.008000 0.423800 -6.1419E-01 -1.7656E+01 -9.5623E+00 H2 1485 1.008000 0.423800 -2.1853E+00 -1.8055E+01 -9.7604E+00 O6 1486 15.999400 -0.847600 -1.4619E+01 1.8277E+01 -1.0659E+01 H1 1487 1.008000 0.423800 -1.5481E+01 1.8761E+01 -1.0812E+01 H2 1488 1.008000 0.423800 -1.4790E+01 1.7459E+01 -1.0109E+01 O6 1489 15.999400 -0.847600 1.4089E+01 -2.9709E+00 -8.2778E+00 H1 1490 1.008000 0.423800 1.4996E+01 -2.5720E+00 -8.1408E+00 H2 1491 1.008000 0.423800 1.3895E+01 -3.0293E+00 -9.2571E+00 O6 1492 15.999400 -0.847600 -1.8240E+01 9.2461E+00 8.0529E+00 H1 1493 1.008000 0.423800 -1.7902E+01 9.2626E+00 8.9941E+00 H2 1494 1.008000 0.423800 -1.7880E+01 8.4396E+00 7.5838E+00 O6 1495 15.999400 -0.847600 -1.1244E+01 -1.4399E+01 -1.7380E+01 H1 1496 1.008000 0.423800 -1.0953E+01 -1.3788E+01 -1.6643E+01 H2 1497 1.008000 0.423800 -1.0445E+01 -1.4864E+01 -1.7762E+01 O6 1498 15.999400 -0.847600 1.7366E+01 1.0156E+01 -5.0739E+00 H1 1499 1.008000 0.423800 1.7226E+01 9.1760E+00 -4.9334E+00 H2 1500 1.008000 0.423800 1.8180E+01 1.0299E+01 -5.6362E+00 O6 1501 15.999400 -0.847600 -1.7214E+01 1.8082E+01 5.0314E+00 H1 1502 1.008000 0.423800 -1.6424E+01 1.8307E+01 4.4606E+00 H2 1503 1.008000 0.423800 -1.7953E+01 1.8731E+01 4.8487E+00 O6 1504 15.999400 -0.847600 -3.8771E+00 1.0076E+01 7.0447E+00 H1 1505 1.008000 0.423800 -3.4801E+00 1.0839E+01 7.5549E+00 H2 1506 1.008000 0.423800 -3.3049E+00 9.8731E+00 6.2502E+00 O6 1507 15.999400 -0.847600 -1.2274E+01 1.7191E+01 -1.1779E+01 H1 1508 1.008000 0.423800 -1.3024E+01 1.7678E+01 -1.1333E+01 H2 1509 1.008000 0.423800 -1.2395E+01 1.7228E+01 -1.2771E+01 O6 1510 15.999400 -0.847600 -8.4352E+00 1.1337E+01 7.3346E-01 H1 1511 1.008000 0.423800 -7.5466E+00 1.1051E+01 1.0923E+00 H2 1512 1.008000 0.423800 -8.3549E+00 1.1523E+01 -2.4576E-01 O6 1513 15.999400 -0.847600 1.1381E+01 -1.2844E+01 4.2824E+00 H1 1514 1.008000 0.423800 1.0403E+01 -1.3052E+01 4.2991E+00 H2 1515 1.008000 0.423800 1.1763E+01 -1.3107E+01 3.3963E+00 O6 1516 15.999400 -0.847600 5.0880E+00 -7.6878E+00 1.2711E+00 H1 1517 1.008000 0.423800 5.3619E+00 -8.4942E+00 1.7952E+00 H2 1518 1.008000 0.423800 4.1200E+00 -7.4972E+00 1.4343E+00 O6 1519 15.999400 -0.847600 1.5474E+01 -4.0629E+00 -1.4611E+01 H1 1520 1.008000 0.423800 1.5115E+01 -4.9838E+00 -1.4458E+01 H2 1521 1.008000 0.423800 1.5350E+01 -3.5155E+00 -1.3783E+01 O6 1522 15.999400 -0.847600 -1.8641E+01 1.9444E+01 -8.8512E+00 H1 1523 1.008000 0.423800 1.9526E+01 1.9262E+01 -8.5334E+00 H2 1524 1.008000 0.423800 -1.8020E+01 1.8756E+01 -8.4753E+00 O6 1525 15.999400 -0.847600 -1.4978E+01 -3.6558E+00 1.8165E+01 H1 1526 1.008000 0.423800 -1.4225E+01 -3.8595E+00 1.7540E+01 H2 1527 1.008000 0.423800 -1.5550E+01 -2.9350E+00 1.7774E+01 O6 1528 15.999400 -0.847600 7.8267E+00 1.4923E+01 1.5949E+01 H1 1529 1.008000 0.423800 7.3206E+00 1.4750E+01 1.5104E+01 H2 1530 1.008000 0.423800 7.1822E+00 1.5065E+01 1.6700E+01 O6 1531 15.999400 -0.847600 -4.2940E-01 9.2965E+00 3.2847E+00 H1 1532 1.008000 0.423800 1.8057E-01 8.5161E+00 3.4221E+00 H2 1533 1.008000 0.423800 -2.1117E-01 9.7411E+00 2.4160E+00 O6 1534 15.999400 -0.847600 -1.0099E+01 1.7798E+01 -7.3460E+00 H1 1535 1.008000 0.423800 -1.0137E+01 1.6813E+01 -7.1728E+00 H2 1536 1.008000 0.423800 -1.0534E+01 1.7999E+01 -8.2240E+00 O6 1537 15.999400 -0.847600 1.7123E+01 -1.6957E+01 4.9814E+00 H1 1538 1.008000 0.423800 1.6278E+01 -1.6597E+01 4.5863E+00 H2 1539 1.008000 0.423800 1.7297E+01 -1.7872E+01 4.6189E+00 O6 1540 15.999400 -0.847600 7.3630E+00 1.8801E+01 1.1364E+01 H1 1541 1.008000 0.423800 7.1852E+00 1.8283E+01 1.0527E+01 H2 1542 1.008000 0.423800 8.3408E+00 1.8998E+01 1.1432E+01 O6 1543 15.999400 -0.847600 1.2149E+01 1.6330E+01 1.5255E+01 H1 1544 1.008000 0.423800 1.1157E+01 1.6457E+01 1.5295E+01 H2 1545 1.008000 0.423800 1.2517E+01 1.6285E+01 1.6183E+01 O6 1546 15.999400 -0.847600 3.9905E+00 -2.4689E-01 -8.0818E+00 H1 1547 1.008000 0.423800 4.9257E+00 1.0345E-01 -8.0306E+00 H2 1548 1.008000 0.423800 3.9682E+00 -1.1879E+00 -7.7440E+00 O6 1549 15.999400 -0.847600 -1.6841E+01 1.5882E+01 6.8184E+00 H1 1550 1.008000 0.423800 -1.7231E+01 1.6074E+01 7.7190E+00 H2 1551 1.008000 0.423800 -1.6781E+01 1.6730E+01 6.2930E+00 O6 1552 15.999400 -0.847600 -1.1568E+01 1.2732E+01 -1.2525E+01 H1 1553 1.008000 0.423800 -1.2130E+01 1.1980E+01 -1.2870E+01 H2 1554 1.008000 0.423800 -1.0865E+01 1.2369E+01 -1.1914E+01 O6 1555 15.999400 -0.847600 1.1850E+01 1.9474E+01 -2.8511E+00 H1 1556 1.008000 0.423800 1.2319E+01 1.8614E+01 -2.6496E+00 H2 1557 1.008000 0.423800 1.2526E+01 -1.8912E+01 -3.0445E+00 O6 1558 15.999400 -0.847600 1.8471E+01 -1.8784E+01 7.3797E+00 H1 1559 1.008000 0.423800 1.8167E+01 -1.8808E+01 8.3319E+00 H2 1560 1.008000 0.423800 1.7947E+01 -1.8095E+01 6.8791E+00 O6 1561 15.999400 -0.847600 1.4876E+01 7.5620E-01 2.8275E-01 H1 1562 1.008000 0.423800 1.4547E+01 1.2626E+00 1.0801E+00 H2 1563 1.008000 0.423800 1.5327E+01 1.3862E+00 -3.4956E-01 O6 1564 15.999400 -0.847600 -4.2724E+00 7.4862E+00 -1.2300E+01 H1 1565 1.008000 0.423800 -4.3515E+00 6.9465E+00 -1.1462E+01 H2 1566 1.008000 0.423800 -4.5120E+00 6.9171E+00 -1.3087E+01 O6 1567 15.999400 -0.847600 -8.5427E+00 -1.1096E+01 -1.4108E+01 H1 1568 1.008000 0.423800 -7.5681E+00 -1.0951E+01 -1.3937E+01 H2 1569 1.008000 0.423800 -9.0670E+00 -1.0820E+01 -1.3303E+01 O6 1570 15.999400 -0.847600 -1.1939E+01 -5.2356E+00 -6.7299E+00 H1 1571 1.008000 0.423800 -1.2395E+01 -5.2621E+00 -5.8402E+00 H2 1572 1.008000 0.423800 -1.2616E+01 -5.0638E+00 -7.4461E+00 O6 1573 15.999400 -0.847600 -1.6134E+01 -9.8720E-01 1.7291E+01 H1 1574 1.008000 0.423800 -1.6713E+01 -6.5229E-01 1.8034E+01 H2 1575 1.008000 0.423800 -1.5184E+01 -7.3078E-01 1.7468E+01 O6 1576 15.999400 -0.847600 7.8502E+00 -1.0568E+01 1.8127E+01 H1 1577 1.008000 0.423800 8.3346E+00 -1.1375E+01 1.8466E+01 H2 1578 1.008000 0.423800 7.6094E+00 -1.0703E+01 1.7166E+01 O6 1579 15.999400 -0.847600 -1.6492E+01 -2.1648E+00 6.0409E+00 H1 1580 1.008000 0.423800 -1.6092E+01 -3.0209E+00 5.7130E+00 H2 1581 1.008000 0.423800 -1.7083E+01 -1.7800E+00 5.3321E+00 O6 1582 15.999400 -0.847600 -1.2720E+01 -8.7140E+00 8.1942E+00 H1 1583 1.008000 0.423800 -1.3281E+01 -8.9024E+00 7.3875E+00 H2 1584 1.008000 0.423800 -1.1832E+01 -8.3559E+00 7.9069E+00 O6 1585 15.999400 -0.847600 -1.0857E+00 -1.5783E+01 -1.3562E+01 H1 1586 1.008000 0.423800 -4.3563E-01 -1.5140E+01 -1.3967E+01 H2 1587 1.008000 0.423800 -1.5787E+00 -1.5333E+01 -1.2817E+01 O6 1588 15.999400 -0.847600 1.6843E+01 6.8085E+00 2.8297E+00 H1 1589 1.008000 0.423800 1.6240E+01 7.4538E+00 2.3599E+00 H2 1590 1.008000 0.423800 1.7517E+01 6.4512E+00 2.1835E+00 O6 1591 15.999400 -0.847600 -6.2769E+00 -1.4782E+01 -7.7174E+00 H1 1592 1.008000 0.423800 -5.8411E+00 -1.5681E+01 -7.6700E+00 H2 1593 1.008000 0.423800 -5.7294E+00 -1.4119E+01 -7.2068E+00 O6 1594 15.999400 -0.847600 -3.8702E-01 1.0690E+01 1.4230E+01 H1 1595 1.008000 0.423800 -2.2208E-01 9.7107E+00 1.4114E+01 H2 1596 1.008000 0.423800 -1.3397E+00 1.0839E+01 1.4495E+01 O6 1597 15.999400 -0.847600 1.7068E+01 6.3340E-01 4.0503E+00 H1 1598 1.008000 0.423800 1.6482E+01 -5.0894E-03 3.5505E+00 H2 1599 1.008000 0.423800 1.6515E+01 1.3911E+00 4.3968E+00 O6 1600 15.999400 -0.847600 1.2858E+01 1.5079E-01 1.8519E+01 H1 1601 1.008000 0.423800 1.3062E+01 4.6982E-01 1.7594E+01 H2 1602 1.008000 0.423800 1.3338E+01 -7.1008E-01 1.8688E+01 O6 1603 15.999400 -0.847600 1.6892E+01 -3.9695E+00 -3.1954E+00 H1 1604 1.008000 0.423800 1.6092E+01 -3.4778E+00 -2.8519E+00 H2 1605 1.008000 0.423800 1.6634E+01 -4.5086E+00 -3.9969E+00 O6 1606 15.999400 -0.847600 -1.2694E+00 9.3256E+00 9.6209E+00 H1 1607 1.008000 0.423800 -1.9490E+00 9.9713E+00 9.9693E+00 H2 1608 1.008000 0.423800 -1.3077E+00 9.3084E+00 8.6218E+00 O6 1609 15.999400 -0.847600 -1.0730E+01 5.8910E+00 5.4452E+00 H1 1610 1.008000 0.423800 -1.0533E+01 4.9321E+00 5.2415E+00 H2 1611 1.008000 0.423800 -1.0749E+01 6.0243E+00 6.4360E+00 O6 1612 15.999400 -0.847600 6.6292E-01 -1.1045E+01 -6.2221E+00 H1 1613 1.008000 0.423800 1.2791E+00 -1.0501E+01 -5.6526E+00 H2 1614 1.008000 0.423800 1.1994E+00 -1.1658E+01 -6.8016E+00 O6 1615 15.999400 -0.847600 3.6276E+00 1.4649E+01 1.7011E+01 H1 1616 1.008000 0.423800 3.3075E+00 1.3725E+01 1.7222E+01 H2 1617 1.008000 0.423800 3.2389E+00 1.4945E+01 1.6139E+01 O6 1618 15.999400 -0.847600 8.8204E+00 4.0717E+00 -2.5004E-01 H1 1619 1.008000 0.423800 9.2924E+00 3.4508E+00 3.7580E-01 H2 1620 1.008000 0.423800 8.6503E+00 3.6046E+00 -1.1177E+00 O6 1621 15.999400 -0.847600 -9.9589E+00 1.5029E+01 -1.2105E+01 H1 1622 1.008000 0.423800 -9.8317E+00 1.5419E+01 -1.3017E+01 H2 1623 1.008000 0.423800 -1.0727E+01 1.4388E+01 -1.2121E+01 O6 1624 15.999400 -0.847600 -5.2459E+00 1.1336E+01 -1.5442E+01 H1 1625 1.008000 0.423800 -4.6948E+00 1.0504E+01 -1.5378E+01 H2 1626 1.008000 0.423800 -6.1142E+00 1.1198E+01 -1.4965E+01 O6 1627 15.999400 -0.847600 8.5633E+00 5.3180E+00 1.3758E+01 H1 1628 1.008000 0.423800 8.1643E+00 5.4669E+00 1.4662E+01 H2 1629 1.008000 0.423800 9.5607E+00 5.3437E+00 1.3825E+01 O6 1630 15.999400 -0.847600 -6.3269E+00 -8.1836E+00 -1.2391E+01 H1 1631 1.008000 0.423800 -6.3535E+00 -9.1628E+00 -1.2592E+01 H2 1632 1.008000 0.423800 -6.6560E+00 -7.6714E+00 -1.3184E+01 O6 1633 15.999400 -0.847600 -5.3183E-01 2.1030E+00 -1.8423E+01 H1 1634 1.008000 0.423800 -6.0636E-01 3.0124E+00 -1.8833E+01 H2 1635 1.008000 0.423800 4.0625E-01 1.9542E+00 -1.8111E+01 O6 1636 15.999400 -0.847600 -9.2527E+00 -1.4697E+01 -1.3879E+01 H1 1637 1.008000 0.423800 -9.6797E+00 -1.3900E+01 -1.4307E+01 H2 1638 1.008000 0.423800 -8.7637E+00 -1.5225E+01 -1.4573E+01 O6 1639 15.999400 -0.847600 -1.4296E+00 -1.6149E+01 4.1089E+00 H1 1640 1.008000 0.423800 -2.2212E+00 -1.5960E+01 4.6900E+00 H2 1641 1.008000 0.423800 -1.1133E+00 -1.7084E+01 4.2702E+00 O6 1642 15.999400 -0.847600 -8.8703E-01 -2.5754E+00 -1.6572E+01 H1 1643 1.008000 0.423800 -1.4343E+00 -3.3355E+00 -1.6923E+01 H2 1644 1.008000 0.423800 -1.1804E-01 -2.4065E+00 -1.7189E+01 O6 1645 15.999400 -0.847600 1.5037E+01 1.8504E+01 -8.8970E+00 H1 1646 1.008000 0.423800 1.5831E+01 1.8165E+01 -9.4012E+00 H2 1647 1.008000 0.423800 1.5312E+01 1.8747E+01 -7.9666E+00 O6 1648 15.999400 -0.847600 -1.2032E+01 -1.0415E+01 -1.4780E+01 H1 1649 1.008000 0.423800 -1.2481E+01 -9.5457E+00 -1.4985E+01 H2 1650 1.008000 0.423800 -1.2615E+01 -1.0956E+01 -1.4174E+01 O6 1651 15.999400 -0.847600 -2.9636E-01 3.9043E+00 1.1884E+01 H1 1652 1.008000 0.423800 3.3792E-02 4.1717E+00 1.2790E+01 H2 1653 1.008000 0.423800 -2.3824E-01 4.6865E+00 1.1264E+01 O6 1654 15.999400 -0.847600 -1.4735E+01 -4.9235E+00 1.0744E+01 H1 1655 1.008000 0.423800 -1.5516E+01 -5.1159E+00 1.1338E+01 H2 1656 1.008000 0.423800 -1.4139E+01 -4.2517E+00 1.1184E+01 O6 1657 15.999400 -0.847600 -6.9463E+00 5.2288E+00 -8.5188E+00 H1 1658 1.008000 0.423800 -7.1840E+00 5.3167E+00 -9.4861E+00 H2 1659 1.008000 0.423800 -6.3945E+00 6.0142E+00 -8.2385E+00 O6 1660 15.999400 -0.847600 -1.2075E+01 -1.4750E+01 7.6559E+00 H1 1661 1.008000 0.423800 -1.2200E+01 -1.5739E+01 7.7424E+00 H2 1662 1.008000 0.423800 -1.1919E+01 -1.4517E+01 6.6962E+00 O6 1663 15.999400 -0.847600 -3.0904E-01 1.8845E+01 -7.9660E+00 H1 1664 1.008000 0.423800 -5.9958E-01 -1.9341E+01 -8.2551E+00 H2 1665 1.008000 0.423800 -1.1748E-01 1.8851E+01 -6.9846E+00 O6 1666 15.999400 -0.847600 1.6045E+01 1.1512E+01 1.3154E+01 H1 1667 1.008000 0.423800 1.5954E+01 1.0516E+01 1.3169E+01 H2 1668 1.008000 0.423800 1.6248E+01 1.1815E+01 1.2223E+01 O6 1669 15.999400 -0.847600 -1.0862E+01 -1.8935E+01 4.1991E+00 H1 1670 1.008000 0.423800 -1.1410E+01 -1.8783E+01 5.0215E+00 H2 1671 1.008000 0.423800 -1.0440E+01 1.9257E+01 4.2426E+00 O6 1672 15.999400 -0.847600 -6.6042E-01 -4.1966E+00 1.1272E+01 H1 1673 1.008000 0.423800 -7.7425E-01 -5.0996E+00 1.0858E+01 H2 1674 1.008000 0.423800 -9.6582E-01 -4.2257E+00 1.2224E+01 O6 1675 15.999400 -0.847600 4.6378E+00 2.3817E+00 1.7928E+01 H1 1676 1.008000 0.423800 3.8233E+00 1.8672E+00 1.8196E+01 H2 1677 1.008000 0.423800 5.2999E+00 1.7618E+00 1.7507E+01 O6 1678 15.999400 -0.847600 1.4119E+01 1.4729E+01 -1.3850E+01 H1 1679 1.008000 0.423800 1.4327E+01 1.4745E+01 -1.4829E+01 H2 1680 1.008000 0.423800 1.4920E+01 1.4408E+01 -1.3345E+01 O6 1681 15.999400 -0.847600 -5.3940E+00 -1.8649E+01 -2.0541E+00 H1 1682 1.008000 0.423800 -4.9858E+00 -1.9523E+01 -2.3169E+00 H2 1683 1.008000 0.423800 -4.6717E+00 -1.7970E+01 -1.9220E+00 O6 1684 15.999400 -0.847600 -1.5474E+01 -4.7767E+00 -1.1500E+01 H1 1685 1.008000 0.423800 -1.6313E+01 -5.0028E+00 -1.1995E+01 H2 1686 1.008000 0.423800 -1.5503E+01 -5.1878E+00 -1.0589E+01 O6 1687 15.999400 -0.847600 5.4414E+00 9.7940E+00 4.0251E+00 H1 1688 1.008000 0.423800 4.5716E+00 1.0173E+01 3.7094E+00 H2 1689 1.008000 0.423800 5.6096E+00 1.0085E+01 4.9669E+00 O6 1690 15.999400 -0.847600 3.3587E+00 -1.7794E+01 -1.4388E+01 H1 1691 1.008000 0.423800 3.4051E+00 -1.7155E+01 -1.3620E+01 H2 1692 1.008000 0.423800 2.7743E+00 -1.7413E+01 -1.5104E+01 O6 1693 15.999400 -0.847600 1.5651E+01 -9.3859E+00 2.0088E+00 H1 1694 1.008000 0.423800 1.5404E+01 -1.0090E+01 2.6747E+00 H2 1695 1.008000 0.423800 1.6644E+01 -9.2720E+00 1.9970E+00 O6 1696 15.999400 -0.847600 1.6489E+01 1.7269E+01 -1.0852E+01 H1 1697 1.008000 0.423800 1.7367E+01 1.7656E+01 -1.1135E+01 H2 1698 1.008000 0.423800 1.5855E+01 1.7281E+01 -1.1626E+01 O6 1699 15.999400 -0.847600 -1.3006E+01 1.4330E+01 -1.6805E+01 H1 1700 1.008000 0.423800 -1.3119E+01 1.4583E+01 -1.7765E+01 H2 1701 1.008000 0.423800 -1.2036E+01 1.4361E+01 -1.6563E+01 O6 1702 15.999400 -0.847600 1.8465E+00 1.4988E+01 -1.2553E+01 H1 1703 1.008000 0.423800 2.2492E+00 1.4917E+01 -1.3465E+01 H2 1704 1.008000 0.423800 2.5321E+00 1.4746E+01 -1.1866E+01 O6 1705 15.999400 -0.847600 1.7980E+01 -6.1421E+00 1.4525E+01 H1 1706 1.008000 0.423800 1.7796E+01 -5.9826E+00 1.3555E+01 H2 1707 1.008000 0.423800 1.7527E+01 -5.4361E+00 1.5070E+01 O6 1708 15.999400 -0.847600 -1.8126E+01 1.1894E+01 8.1599E+00 H1 1709 1.008000 0.423800 -1.7233E+01 1.2251E+01 7.8863E+00 H2 1710 1.008000 0.423800 -1.8097E+01 1.0895E+01 8.1690E+00 O6 1711 15.999400 -0.847600 1.7170E+01 1.4657E+01 9.0820E+00 H1 1712 1.008000 0.423800 1.6676E+01 1.4579E+01 8.2157E+00 H2 1713 1.008000 0.423800 1.7346E+01 1.5622E+01 9.2786E+00 O6 1714 15.999400 -0.847600 -1.6451E+01 -1.0324E+01 -1.8127E+00 H1 1715 1.008000 0.423800 -1.6520E+01 -9.8391E+00 -2.6846E+00 H2 1716 1.008000 0.423800 -1.6923E+01 -1.1203E+01 -1.8824E+00 O6 1717 15.999400 -0.847600 1.3413E+01 -3.3277E+00 -1.9384E+01 H1 1718 1.008000 0.423800 1.2874E+01 -3.1939E+00 1.8881E+01 H2 1719 1.008000 0.423800 1.4151E+01 -3.9767E+00 1.9531E+01 O6 1720 15.999400 -0.847600 -1.3318E+01 1.4012E+01 3.0768E+00 H1 1721 1.008000 0.423800 -1.3644E+01 1.3413E+01 3.8083E+00 H2 1722 1.008000 0.423800 -1.3133E+01 1.3468E+01 2.2583E+00 O6 1723 15.999400 -0.847600 1.5188E+01 1.5367E+01 -1.9407E+01 H1 1724 1.008000 0.423800 1.5987E+01 1.5642E+01 1.9156E+01 H2 1725 1.008000 0.423800 1.4854E+01 1.4483E+01 1.9361E+01 O6 1726 15.999400 -0.847600 -6.4438E+00 -2.3958E+00 1.1394E+01 H1 1727 1.008000 0.423800 -5.8414E+00 -2.5725E+00 1.2172E+01 H2 1728 1.008000 0.423800 -5.9705E+00 -1.8151E+00 1.0731E+01 O6 1729 15.999400 -0.847600 9.2460E+00 1.3254E+01 -1.8949E+01 H1 1730 1.008000 0.423800 8.9826E+00 1.4207E+01 -1.8796E+01 H2 1731 1.008000 0.423800 1.0200E+01 1.3125E+01 -1.8679E+01 O6 1732 15.999400 -0.847600 -2.4585E+00 2.8560E+00 -1.6158E+01 H1 1733 1.008000 0.423800 -1.7018E+00 2.6192E+00 -1.6768E+01 H2 1734 1.008000 0.423800 -2.8832E+00 3.7063E+00 -1.6469E+01 O6 1735 15.999400 -0.847600 -1.8720E+01 1.0288E+01 1.0023E+00 H1 1736 1.008000 0.423800 -1.7899E+01 9.8640E+00 6.1998E-01 H2 1737 1.008000 0.423800 -1.9504E+01 9.6828E+00 8.6047E-01 O6 1738 15.999400 -0.847600 -1.0586E+01 1.8820E+01 -1.7569E+01 H1 1739 1.008000 0.423800 -1.0383E+01 -1.9304E+01 -1.7670E+01 H2 1740 1.008000 0.423800 -1.1430E+01 1.8603E+01 -1.8060E+01 O6 1741 15.999400 -0.847600 2.4403E+00 -8.4057E+00 -1.2285E+01 H1 1742 1.008000 0.423800 3.1020E+00 -9.0299E+00 -1.1870E+01 H2 1743 1.008000 0.423800 2.9242E+00 -7.6368E+00 -1.2703E+01 O6 1744 15.999400 -0.847600 -1.5738E+01 -1.5711E+01 1.1082E+01 H1 1745 1.008000 0.423800 -1.6549E+01 -1.5559E+01 1.0517E+01 H2 1746 1.008000 0.423800 -1.5922E+01 -1.5410E+01 1.2018E+01 O6 1747 15.999400 -0.847600 1.1809E+01 9.5010E+00 1.6250E+01 H1 1748 1.008000 0.423800 1.1775E+01 1.0440E+01 1.6592E+01 H2 1749 1.008000 0.423800 1.2763E+01 9.2229E+00 1.6135E+01 O6 1750 15.999400 -0.847600 2.0226E-01 1.7789E+00 1.0098E+01 H1 1751 1.008000 0.423800 1.4281E-01 2.5097E+00 1.0778E+01 H2 1752 1.008000 0.423800 -4.9861E-01 1.9169E+00 9.3982E+00 O6 1753 15.999400 -0.847600 -1.7136E+01 -6.3597E+00 -1.2875E+01 H1 1754 1.008000 0.423800 -1.7921E+01 -5.7502E+00 -1.2982E+01 H2 1755 1.008000 0.423800 -1.6636E+01 -6.4141E+00 -1.3739E+01 O6 1756 15.999400 -0.847600 -8.1025E+00 9.3182E+00 -1.2781E+01 H1 1757 1.008000 0.423800 -7.2384E+00 9.6385E+00 -1.2393E+01 H2 1758 1.008000 0.423800 -8.8582E+00 9.5988E+00 -1.2190E+01 O6 1759 15.999400 -0.847600 -2.9205E+00 -1.8999E+01 3.7757E+00 H1 1760 1.008000 0.423800 -2.8337E+00 1.9108E+01 3.6653E+00 H2 1761 1.008000 0.423800 -3.5023E+00 -1.8633E+01 3.0496E+00 O6 1762 15.999400 -0.847600 1.8978E+01 5.6000E+00 1.1890E+01 H1 1763 1.008000 0.423800 1.8078E+01 5.9679E+00 1.1658E+01 H2 1764 1.008000 0.423800 1.9116E+01 4.7321E+00 1.1413E+01 O6 1765 15.999400 -0.847600 -4.2841E+00 4.6752E+00 1.5639E+01 H1 1766 1.008000 0.423800 -5.2232E+00 4.8736E+00 1.5359E+01 H2 1767 1.008000 0.423800 -3.8747E+00 5.4960E+00 1.6038E+01 O6 1768 15.999400 -0.847600 9.9981E+00 1.7457E+01 1.9531E+01 H1 1769 1.008000 0.423800 9.3370E+00 1.6775E+01 -1.9254E+01 H2 1770 1.008000 0.423800 1.0903E+01 1.7233E+01 -1.9206E+01 O6 1771 15.999400 -0.847600 5.1903E+00 -1.2499E+01 6.5899E+00 H1 1772 1.008000 0.423800 4.2489E+00 -1.2732E+01 6.3461E+00 H2 1773 1.008000 0.423800 5.7884E+00 -1.3275E+01 6.3903E+00 O6 1774 15.999400 -0.847600 -6.1678E+00 8.4297E+00 1.6239E+01 H1 1775 1.008000 0.423800 -5.2702E+00 8.0242E+00 1.6066E+01 H2 1776 1.008000 0.423800 -6.0844E+00 9.4259E+00 1.6264E+01 O6 1777 15.999400 -0.847600 -1.0833E+01 -3.9003E+00 -1.1687E+01 H1 1778 1.008000 0.423800 -1.0651E+01 -3.1493E+00 -1.1052E+01 H2 1779 1.008000 0.423800 -1.0745E+01 -4.7723E+00 -1.1206E+01 O6 1780 15.999400 -0.847600 -2.5315E+00 9.8739E+00 -8.5524E+00 H1 1781 1.008000 0.423800 -2.5413E+00 1.0272E+01 -7.6349E+00 H2 1782 1.008000 0.423800 -2.1685E+00 8.9432E+00 -8.5082E+00 O6 1783 15.999400 -0.847600 8.0888E-01 1.7218E+01 1.5114E+01 H1 1784 1.008000 0.423800 1.6642E+00 1.7667E+01 1.5372E+01 H2 1785 1.008000 0.423800 9.1463E-01 1.6227E+01 1.5197E+01 O6 1786 15.999400 -0.847600 -1.2596E+01 1.4107E+01 -2.4619E+00 H1 1787 1.008000 0.423800 -1.1974E+01 1.4510E+01 -3.1332E+00 H2 1788 1.008000 0.423800 -1.2160E+01 1.4105E+01 -1.5622E+00 O6 1789 15.999400 -0.847600 5.1548E+00 -1.0428E+01 1.8922E+01 H1 1790 1.008000 0.423800 4.7896E+00 -1.0612E+01 -1.9263E+01 H2 1791 1.008000 0.423800 6.1542E+00 -1.0436E+01 1.8955E+01 O6 1792 15.999400 -0.847600 -1.3134E+01 1.0209E+01 -1.0930E+01 H1 1793 1.008000 0.423800 -1.3776E+01 1.0975E+01 -1.0963E+01 H2 1794 1.008000 0.423800 -1.3476E+01 9.4635E+00 -1.1502E+01 O6 1795 15.999400 -0.847600 1.4994E+01 -2.2706E+00 -1.2372E+01 H1 1796 1.008000 0.423800 1.5778E+01 -1.7357E+00 -1.2057E+01 H2 1797 1.008000 0.423800 1.4176E+01 -1.6944E+00 -1.2374E+01 O6 1798 15.999400 -0.847600 -1.3678E+00 -3.2539E+00 8.9033E+00 H1 1799 1.008000 0.423800 -1.2494E+00 -3.4384E+00 9.8790E+00 H2 1800 1.008000 0.423800 -1.8938E+00 -3.9947E+00 8.4854E+00 O6 1801 15.999400 -0.847600 1.3318E+00 -1.4424E+01 -1.0053E+01 H1 1802 1.008000 0.423800 2.2102E+00 -1.4366E+01 -9.5787E+00 H2 1803 1.008000 0.423800 5.8977E-01 -1.4272E+01 -9.4004E+00 O6 1804 15.999400 -0.847600 -2.7714E-01 1.9325E+01 1.3880E+01 H1 1805 1.008000 0.423800 -2.0536E-01 1.8470E+01 1.4392E+01 H2 1806 1.008000 0.423800 -9.7642E-01 1.9232E+01 1.3171E+01 O6 1807 15.999400 -0.847600 -4.5390E+00 -6.9185E+00 1.0019E+00 H1 1808 1.008000 0.423800 -4.7873E+00 -7.4301E+00 1.8245E+00 H2 1809 1.008000 0.423800 -4.1738E+00 -7.5476E+00 3.1570E-01 O6 1810 15.999400 -0.847600 8.8338E-01 1.0603E+01 1.0176E+00 H1 1811 1.008000 0.423800 8.7514E-01 1.1594E+01 1.1526E+00 H2 1812 1.008000 0.423800 2.3418E-01 1.0359E+01 2.9709E-01 O6 1813 15.999400 -0.847600 -1.5495E+01 -4.5782E+00 5.2974E+00 H1 1814 1.008000 0.423800 -1.6114E+01 -5.3487E+00 5.1463E+00 H2 1815 1.008000 0.423800 -1.4862E+01 -4.7997E+00 6.0394E+00 O6 1816 15.999400 -0.847600 1.0371E+00 7.0641E+00 3.2963E+00 H1 1817 1.008000 0.423800 1.8810E+00 6.5276E+00 3.3030E+00 H2 1818 1.008000 0.423800 4.3524E-01 6.7295E+00 2.5713E+00 O6 1819 15.999400 -0.847600 4.1694E+00 1.0601E+00 -1.4542E+01 H1 1820 1.008000 0.423800 4.1560E+00 6.0252E-02 -1.4532E+01 H2 1821 1.008000 0.423800 3.2320E+00 1.4056E+00 -1.4586E+01 O6 1822 15.999400 -0.847600 1.3560E+01 1.6206E+00 -9.8184E+00 H1 1823 1.008000 0.423800 1.3947E+01 7.9708E-01 -9.4038E+00 H2 1824 1.008000 0.423800 1.4135E+01 1.9108E+00 -1.0583E+01 O6 1825 15.999400 -0.847600 7.7470E+00 6.4846E+00 1.1311E+01 H1 1826 1.008000 0.423800 7.9148E+00 5.8117E+00 1.2031E+01 H2 1827 1.008000 0.423800 8.3187E+00 7.2900E+00 1.1467E+01 O6 1828 15.999400 -0.847600 -2.3767E+00 -3.6320E+00 4.6374E-01 H1 1829 1.008000 0.423800 -1.7518E+00 -2.9307E+00 1.2068E-01 H2 1830 1.008000 0.423800 -3.1062E+00 -3.1984E+00 9.9278E-01 O6 1831 15.999400 -0.847600 -1.6832E+01 5.1136E+00 1.8419E+01 H1 1832 1.008000 0.423800 -1.7293E+01 5.6441E+00 1.9130E+01 H2 1833 1.008000 0.423800 -1.7350E+01 4.2777E+00 1.8238E+01 O6 1834 15.999400 -0.847600 2.4233E+00 1.4603E+01 5.8106E+00 H1 1835 1.008000 0.423800 3.0797E+00 1.3955E+01 5.4242E+00 H2 1836 1.008000 0.423800 2.5459E+00 1.5497E+01 5.3809E+00 O6 1837 15.999400 -0.847600 -1.3107E+01 1.6393E+01 -1.4454E+01 H1 1838 1.008000 0.423800 -1.3488E+01 1.5516E+01 -1.4744E+01 H2 1839 1.008000 0.423800 -1.2207E+01 1.6520E+01 -1.4871E+01 O6 1840 15.999400 -0.847600 -6.9538E+00 1.0505E+01 -6.5088E+00 H1 1841 1.008000 0.423800 -7.8996E+00 1.0466E+01 -6.1865E+00 H2 1842 1.008000 0.423800 -6.8996E+00 1.0120E+01 -7.4301E+00 O6 1843 15.999400 -0.847600 1.0454E+01 7.0297E+00 8.3239E+00 H1 1844 1.008000 0.423800 9.6029E+00 7.5232E+00 8.5041E+00 H2 1845 1.008000 0.423800 1.1210E+01 7.6808E+00 8.2637E+00 O6 1846 15.999400 -0.847600 1.8661E+01 1.2106E+01 -1.7531E+01 H1 1847 1.008000 0.423800 -1.9508E+01 1.2357E+01 -1.7805E+01 H2 1848 1.008000 0.423800 1.8012E+01 1.2426E+01 -1.8220E+01 O6 1849 15.999400 -0.847600 -1.5489E+01 1.2188E+00 -9.1117E+00 H1 1850 1.008000 0.423800 -1.5799E+01 1.0977E+00 -8.1684E+00 H2 1851 1.008000 0.423800 -1.5151E+01 2.1518E+00 -9.2344E+00 O6 1852 15.999400 -0.847600 -1.7096E+01 3.2540E+00 -3.4007E+00 H1 1853 1.008000 0.423800 -1.6454E+01 3.6646E+00 -4.0483E+00 H2 1854 1.008000 0.423800 -1.7858E+01 3.8820E+00 -3.2435E+00 O6 1855 15.999400 -0.847600 1.4798E+01 -8.6192E+00 -7.3193E+00 H1 1856 1.008000 0.423800 1.5626E+01 -8.1354E+00 -7.6021E+00 H2 1857 1.008000 0.423800 1.4019E+01 -7.9929E+00 -7.3512E+00 O6 1858 15.999400 -0.847600 3.1034E+00 -9.9164E+00 6.8627E+00 H1 1859 1.008000 0.423800 3.7295E+00 -9.3948E+00 7.4423E+00 H2 1860 1.008000 0.423800 3.1426E+00 -1.0883E+01 7.1154E+00 O6 1861 15.999400 -0.847600 1.4601E+01 -1.8150E+01 1.3639E+01 H1 1862 1.008000 0.423800 1.4451E+01 -1.8981E+01 1.4175E+01 H2 1863 1.008000 0.423800 1.4828E+01 -1.8398E+01 1.2697E+01 O6 1864 15.999400 -0.847600 -1.0010E+01 1.2541E+01 2.7678E+00 H1 1865 1.008000 0.423800 -9.3381E+00 1.2500E+01 2.0286E+00 H2 1866 1.008000 0.423800 -1.0912E+01 1.2745E+01 2.3868E+00 O6 1867 15.999400 -0.847600 -8.9077E+00 8.8580E-01 1.4757E+01 H1 1868 1.008000 0.423800 -9.1950E+00 9.0392E-01 1.5714E+01 H2 1869 1.008000 0.423800 -8.1113E+00 2.8900E-01 1.4659E+01 O6 1870 15.999400 -0.847600 -5.0449E+00 -2.8565E+00 2.2539E+00 H1 1871 1.008000 0.423800 -5.4239E+00 -1.9377E+00 2.3643E+00 H2 1872 1.008000 0.423800 -4.1566E+00 -2.9077E+00 2.7102E+00 O6 1873 15.999400 -0.847600 -1.1115E+01 1.5644E+01 8.9867E+00 H1 1874 1.008000 0.423800 -1.1047E+01 1.6586E+01 9.3180E+00 H2 1875 1.008000 0.423800 -1.0479E+01 1.5512E+01 8.2263E+00 O6 1876 15.999400 -0.847600 1.0071E+00 1.3642E+01 7.8674E+00 H1 1877 1.008000 0.423800 1.2330E+00 1.4243E+01 7.1008E+00 H2 1878 1.008000 0.423800 1.7014E+00 1.2927E+01 7.9457E+00 O6 1879 15.999400 -0.847600 -7.0281E+00 -5.1958E+00 4.9858E+00 H1 1880 1.008000 0.423800 -7.2210E+00 -4.2406E+00 5.2107E+00 H2 1881 1.008000 0.423800 -6.8653E+00 -5.2803E+00 4.0028E+00 O6 1882 15.999400 -0.847600 1.4727E+01 -6.8301E+00 -1.4065E+01 H1 1883 1.008000 0.423800 1.4621E+01 -7.1922E+00 -1.4991E+01 H2 1884 1.008000 0.423800 1.5476E+01 -7.3063E+00 -1.3605E+01 O6 1885 15.999400 -0.847600 -7.6048E+00 -1.3692E+00 -3.0541E-01 H1 1886 1.008000 0.423800 -7.6108E+00 -2.3240E+00 -6.0251E-01 H2 1887 1.008000 0.423800 -8.5430E+00 -1.0250E+00 -2.7084E-01 O6 1888 15.999400 -0.847600 -9.2112E+00 -1.8610E+01 -6.8422E+00 H1 1889 1.008000 0.423800 -8.3954E+00 -1.8914E+01 -7.3343E+00 H2 1890 1.008000 0.423800 -9.8670E+00 -1.9363E+01 -6.7874E+00 O6 1891 15.999400 -0.847600 -1.9457E+01 -3.2318E+00 6.8744E+00 H1 1892 1.008000 0.423800 -1.8927E+01 -3.5526E+00 7.6590E+00 H2 1893 1.008000 0.423800 -1.9029E+01 -2.4120E+00 6.4949E+00 O6 1894 15.999400 -0.847600 -1.1277E+00 9.1883E+00 6.8383E+00 H1 1895 1.008000 0.423800 -7.4781E-01 1.0022E+01 6.4379E+00 H2 1896 1.008000 0.423800 -7.7086E-01 8.3918E+00 6.3503E+00 O6 1897 15.999400 -0.847600 1.9093E+01 -1.9879E+00 1.5038E+00 H1 1898 1.008000 0.423800 1.8889E+01 -1.0204E+00 1.3538E+00 H2 1899 1.008000 0.423800 1.9484E+01 -2.3791E+00 6.7075E-01 O6 1900 15.999400 -0.847600 -1.7546E+01 -2.9053E-01 -1.2745E+01 H1 1901 1.008000 0.423800 -1.8242E+01 -5.4827E-01 -1.3416E+01 H2 1902 1.008000 0.423800 -1.6710E+01 -8.1193E-01 -1.2915E+01 O6 1903 15.999400 -0.847600 -1.2583E+01 1.7963E+01 -1.9452E+01 H1 1904 1.008000 0.423800 -1.2559E+01 1.8441E+01 1.8768E+01 H2 1905 1.008000 0.423800 -1.3316E+01 1.8341E+01 -1.8886E+01 O6 1906 15.999400 -0.847600 1.1426E+01 1.2024E+01 -8.6806E+00 H1 1907 1.008000 0.423800 1.0925E+01 1.1832E+01 -7.8370E+00 H2 1908 1.008000 0.423800 1.1677E+01 1.1163E+01 -9.1226E+00 O6 1909 15.999400 -0.847600 -3.8850E+00 -6.5998E+00 1.0120E+01 H1 1910 1.008000 0.423800 -4.1111E+00 -7.1574E+00 9.3209E+00 H2 1911 1.008000 0.423800 -2.9021E+00 -6.6527E+00 1.0296E+01 O6 1912 15.999400 -0.847600 -7.7711E+00 1.8013E+01 3.9379E+00 H1 1913 1.008000 0.423800 -7.5467E+00 1.8987E+01 3.9565E+00 H2 1914 1.008000 0.423800 -7.3134E+00 1.7580E+01 3.1612E+00 O6 1915 15.999400 -0.847600 9.9134E+00 -1.3561E+00 -5.3080E+00 H1 1916 1.008000 0.423800 8.9991E+00 -1.6997E+00 -5.0934E+00 H2 1917 1.008000 0.423800 9.8401E+00 -5.8947E-01 -5.9458E+00 O6 1918 15.999400 -0.847600 -1.3263E+01 9.5273E+00 -3.1645E+00 H1 1919 1.008000 0.423800 -1.3099E+01 9.7871E+00 -2.2128E+00 H2 1920 1.008000 0.423800 -1.4238E+01 9.6151E+00 -3.3708E+00 O6 1921 15.999400 -0.847600 -6.9078E+00 -4.1321E+00 -1.4665E+01 H1 1922 1.008000 0.423800 -7.4442E+00 -4.6386E+00 -1.3990E+01 H2 1923 1.008000 0.423800 -6.7640E+00 -3.1965E+00 -1.4343E+01 O6 1924 15.999400 -0.847600 1.8837E-04 7.4100E+00 -6.2785E+00 H1 1925 1.008000 0.423800 -6.7615E-01 7.3374E+00 -7.0115E+00 H2 1926 1.008000 0.423800 7.8223E-01 6.8228E+00 -6.4873E+00 O6 1927 15.999400 -0.847600 1.7771E+01 1.7111E+01 1.2249E+01 H1 1928 1.008000 0.423800 1.8250E+01 1.6449E+01 1.2826E+01 H2 1929 1.008000 0.423800 1.7073E+01 1.6639E+01 1.1710E+01 O6 1930 15.999400 -0.847600 1.3944E+01 -1.3785E+01 -4.4849E+00 H1 1931 1.008000 0.423800 1.3849E+01 -1.4730E+01 -4.7984E+00 H2 1932 1.008000 0.423800 1.4782E+01 -1.3391E+01 -4.8635E+00 O6 1933 15.999400 -0.847600 -2.8472E+00 3.2722E+00 1.1006E+01 H1 1934 1.008000 0.423800 -2.9449E+00 2.4817E+00 1.1610E+01 H2 1935 1.008000 0.423800 -1.9929E+00 3.7482E+00 1.1215E+01 O6 1936 15.999400 -0.847600 -1.7381E+01 -4.5059E+00 1.5826E+01 H1 1937 1.008000 0.423800 -1.6608E+01 -4.5328E+00 1.5192E+01 H2 1938 1.008000 0.423800 -1.7844E+01 -3.6231E+00 1.5749E+01 O6 1939 15.999400 -0.847600 8.4638E+00 -8.4614E+00 -4.8500E+00 H1 1940 1.008000 0.423800 8.5035E+00 -9.2762E+00 -4.2717E+00 H2 1941 1.008000 0.423800 7.7007E+00 -7.8838E+00 -4.5601E+00 O6 1942 15.999400 -0.847600 -2.9397E+00 -9.6511E+00 -1.7330E+01 H1 1943 1.008000 0.423800 -3.0888E+00 -9.1171E+00 -1.6498E+01 H2 1944 1.008000 0.423800 -2.0777E+00 -9.3736E+00 -1.7754E+01 O6 1945 15.999400 -0.847600 1.3547E+01 1.3236E+01 1.8238E+01 H1 1946 1.008000 0.423800 1.4078E+01 1.2660E+01 1.7615E+01 H2 1947 1.008000 0.423800 1.2680E+01 1.2786E+01 1.8449E+01 O6 1948 15.999400 -0.847600 -4.1396E+00 1.7792E+01 -1.0698E+00 H1 1949 1.008000 0.423800 -3.9865E+00 1.7088E+01 -1.7630E+00 H2 1950 1.008000 0.423800 -3.3082E+00 1.7912E+01 -5.2729E-01 O6 1951 15.999400 -0.847600 1.2643E+01 -1.2092E+01 1.4057E+01 H1 1952 1.008000 0.423800 1.2885E+01 -1.1126E+01 1.4151E+01 H2 1953 1.008000 0.423800 1.3373E+01 -1.2573E+01 1.3572E+01 O6 1954 15.999400 -0.847600 -1.3595E+01 -3.1976E-01 -1.8787E-01 H1 1955 1.008000 0.423800 -1.2866E+01 -1.0815E-01 4.6315E-01 H2 1956 1.008000 0.423800 -1.3386E+01 -1.1791E+00 -6.5458E-01 O6 1957 15.999400 -0.847600 -1.5410E+01 3.6216E+00 1.2804E+01 H1 1958 1.008000 0.423800 -1.5030E+01 4.2655E+00 1.3469E+01 H2 1959 1.008000 0.423800 -1.4664E+01 3.1816E+00 1.2303E+01 O6 1960 15.999400 -0.847600 -1.2341E+01 1.0712E+01 -1.9254E+01 H1 1961 1.008000 0.423800 -1.2323E+01 9.7693E+00 1.9510E+01 H2 1962 1.008000 0.423800 -1.3114E+01 1.1196E+01 1.9433E+01 O6 1963 15.999400 -0.847600 1.2912E+01 1.2808E+01 -1.2366E+01 H1 1964 1.008000 0.423800 1.3377E+01 1.2932E+01 -1.1490E+01 H2 1965 1.008000 0.423800 1.3199E+01 1.3526E+01 -1.3000E+01 O6 1966 15.999400 -0.847600 8.5652E+00 -1.0324E+01 -3.0470E+00 H1 1967 1.008000 0.423800 8.0776E+00 -1.1192E+01 -3.1368E+00 H2 1968 1.008000 0.423800 9.5418E+00 -1.0501E+01 -2.9248E+00 O6 1969 15.999400 -0.847600 -1.5587E+01 4.3845E+00 -5.5308E+00 H1 1970 1.008000 0.423800 -1.4678E+01 4.5749E+00 -5.1589E+00 H2 1971 1.008000 0.423800 -1.5971E+01 5.2232E+00 -5.9159E+00 O6 1972 15.999400 -0.847600 -8.1820E+00 -2.8042E+00 1.8042E+01 H1 1973 1.008000 0.423800 -8.0216E+00 -3.0749E+00 1.8991E+01 H2 1974 1.008000 0.423800 -7.4344E+00 -2.2168E+00 1.7732E+01 O6 1975 15.999400 -0.847600 -6.7167E+00 -6.4631E+00 -8.2579E+00 H1 1976 1.008000 0.423800 -7.0040E+00 -5.8428E+00 -7.5280E+00 H2 1977 1.008000 0.423800 -6.1113E+00 -7.1639E+00 -7.8807E+00 O6 1978 15.999400 -0.847600 1.3748E+01 7.8452E+00 -1.5232E+01 H1 1979 1.008000 0.423800 1.4706E+01 7.6065E+00 -1.5077E+01 H2 1980 1.008000 0.423800 1.3460E+01 7.5053E+00 -1.6127E+01 O6 1981 15.999400 -0.847600 -9.0799E+00 1.2785E+01 5.3892E+00 H1 1982 1.008000 0.423800 -8.3186E+00 1.3397E+01 5.1768E+00 H2 1983 1.008000 0.423800 -9.6684E+00 1.2694E+01 4.5859E+00 O6 1984 15.999400 -0.847600 7.7473E-02 8.9049E+00 -1.5948E+01 H1 1985 1.008000 0.423800 -1.6262E-01 8.5832E+00 -1.6864E+01 H2 1986 1.008000 0.423800 -5.4845E-01 8.5037E+00 -1.5279E+01 O6 1987 15.999400 -0.847600 -1.3439E+01 2.8625E+00 4.0490E+00 H1 1988 1.008000 0.423800 -1.4179E+01 2.2760E+00 4.3791E+00 H2 1989 1.008000 0.423800 -1.3711E+01 3.2890E+00 3.1865E+00 O6 1990 15.999400 -0.847600 9.9128E+00 -1.8830E+01 1.9166E+01 H1 1991 1.008000 0.423800 9.8008E+00 1.9289E+01 1.9339E+01 H2 1992 1.008000 0.423800 9.1741E+00 -1.8326E+01 -1.9484E+01 O6 1993 15.999400 -0.847600 -1.6900E+01 2.0593E+00 2.3653E+00 H1 1994 1.008000 0.423800 -1.7865E+01 1.7942E+00 2.3686E+00 H2 1995 1.008000 0.423800 -1.6442E+01 1.6400E+00 1.5816E+00 O6 1996 15.999400 -0.847600 -1.2228E+01 -1.0817E+01 -1.1185E+01 H1 1997 1.008000 0.423800 -1.2807E+01 -1.1238E+01 -1.1883E+01 H2 1998 1.008000 0.423800 -1.2319E+01 -1.1323E+01 -1.0327E+01 O6 1999 15.999400 -0.847600 -5.7062E+00 6.7833E+00 -1.8315E+01 H1 2000 1.008000 0.423800 -6.4118E+00 7.2470E+00 -1.8851E+01 H2 2001 1.008000 0.423800 -4.8804E+00 6.6804E+00 -1.8869E+01 O6 2002 15.999400 -0.847600 -1.5201E+01 1.8760E+01 3.4840E+00 H1 2003 1.008000 0.423800 -1.5384E+01 1.8994E+01 2.5289E+00 H2 2004 1.008000 0.423800 -1.4698E+01 1.7897E+01 3.5257E+00 O6 2005 15.999400 -0.847600 -1.7534E+00 -1.3154E+00 7.2306E+00 H1 2006 1.008000 0.423800 -1.7511E+00 -2.1383E+00 7.7987E+00 H2 2007 1.008000 0.423800 -2.4049E+00 -1.4299E+00 6.4807E+00 O6 2008 15.999400 -0.847600 1.6114E+01 -1.4882E+00 -1.5462E+01 H1 2009 1.008000 0.423800 1.6540E+01 -1.5077E+00 -1.6366E+01 H2 2010 1.008000 0.423800 1.5714E+01 -2.3831E+00 -1.5263E+01 O6 2011 15.999400 -0.847600 1.6385E+01 -8.0679E-01 1.1835E+01 H1 2012 1.008000 0.423800 1.6062E+01 -1.6592E+00 1.1424E+01 H2 2013 1.008000 0.423800 1.6426E+01 -9.3924E-02 1.1135E+01 O6 2014 15.999400 -0.847600 1.8172E+01 -1.2315E+01 1.5952E+01 H1 2015 1.008000 0.423800 1.8061E+01 -1.3309E+01 1.5964E+01 H2 2016 1.008000 0.423800 1.7285E+01 -1.1882E+01 1.5796E+01 O6 2017 15.999400 -0.847600 -1.8382E+01 -9.0375E+00 1.1967E+01 H1 2018 1.008000 0.423800 -1.7610E+01 -9.3474E+00 1.1412E+01 H2 2019 1.008000 0.423800 -1.8508E+01 -9.6595E+00 1.2740E+01 O6 2020 15.999400 -0.847600 -7.2013E+00 4.1778E+00 1.5154E+00 H1 2021 1.008000 0.423800 -7.9712E+00 3.6765E+00 1.9104E+00 H2 2022 1.008000 0.423800 -7.0196E+00 4.9948E+00 2.0627E+00 O6 2023 15.999400 -0.847600 1.4640E+01 1.3171E+01 -3.0783E+00 H1 2024 1.008000 0.423800 1.4132E+01 1.3553E+01 -3.8500E+00 H2 2025 1.008000 0.423800 1.5526E+01 1.2833E+01 -3.3974E+00 O6 2026 15.999400 -0.847600 3.4022E+00 -8.7349E+00 3.7315E+00 H1 2027 1.008000 0.423800 3.0769E+00 -8.7178E+00 4.6770E+00 H2 2028 1.008000 0.423800 4.3459E+00 -8.4057E+00 3.6979E+00 O6 2029 15.999400 -0.847600 -1.3901E+01 3.7047E+00 1.5378E+00 H1 2030 1.008000 0.423800 -1.3786E+01 4.6919E+00 1.4267E+00 H2 2031 1.008000 0.423800 -1.4366E+01 3.3308E+00 7.3517E-01 O6 2032 15.999400 -0.847600 1.6055E+01 1.5023E+01 1.1997E+01 H1 2033 1.008000 0.423800 1.6467E+01 1.4111E+01 1.1981E+01 H2 2034 1.008000 0.423800 1.5135E+01 1.4966E+01 1.2385E+01 O6 2035 15.999400 -0.847600 1.2350E+00 2.6019E+00 1.6580E+01 H1 2036 1.008000 0.423800 9.2604E-01 2.0565E+00 1.5801E+01 H2 2037 1.008000 0.423800 1.4815E+00 1.9945E+00 1.7335E+01 O6 2038 15.999400 -0.847600 -6.9009E+00 -1.6761E+01 -3.0398E+00 H1 2039 1.008000 0.423800 -6.6790E+00 -1.5938E+01 -2.5166E+00 H2 2040 1.008000 0.423800 -6.4448E+00 -1.7550E+01 -2.6288E+00 O6 2041 15.999400 -0.847600 2.4149E+00 1.8565E+01 1.2767E+01 H1 2042 1.008000 0.423800 2.6802E+00 1.8230E+01 1.3671E+01 H2 2043 1.008000 0.423800 1.4605E+00 1.8863E+01 1.2789E+01 O6 2044 15.999400 -0.847600 -7.2545E+00 5.7020E+00 -4.0286E+00 H1 2045 1.008000 0.423800 -7.3519E+00 6.6436E+00 -4.3512E+00 H2 2046 1.008000 0.423800 -6.3123E+00 5.5473E+00 -3.7314E+00 O6 2047 15.999400 -0.847600 1.6918E+01 8.3726E+00 -1.6425E+01 H1 2048 1.008000 0.423800 1.6459E+01 7.9280E+00 -1.5655E+01 H2 2049 1.008000 0.423800 1.6606E+01 7.9615E+00 -1.7281E+01 O6 2050 15.999400 -0.847600 -1.7514E+01 8.9016E-01 -2.0958E+00 H1 2051 1.008000 0.423800 -1.8443E+01 5.5211E-01 -2.2484E+00 H2 2052 1.008000 0.423800 -1.7427E+01 1.8106E+00 -2.4771E+00 O6 2053 15.999400 -0.847600 1.7978E+00 1.7585E+01 -9.2831E+00 H1 2054 1.008000 0.423800 1.8221E+00 1.6627E+01 -8.9977E+00 H2 2055 1.008000 0.423800 9.9499E-01 1.8031E+01 -8.8869E+00 O6 2056 15.999400 -0.847600 9.8954E+00 -1.3668E+01 -9.7102E+00 H1 2057 1.008000 0.423800 8.9226E+00 -1.3740E+01 -9.4900E+00 H2 2058 1.008000 0.423800 1.0132E+01 -1.4349E+01 -1.0403E+01 O6 2059 15.999400 -0.847600 -1.8193E+01 -8.8571E+00 1.7693E+01 H1 2060 1.008000 0.423800 -1.8963E+01 -9.4906E+00 1.7767E+01 H2 2061 1.008000 0.423800 -1.8357E+01 -8.2200E+00 1.6940E+01 O6 2062 15.999400 -0.847600 9.4707E+00 -5.8187E+00 7.1756E+00 H1 2063 1.008000 0.423800 8.8759E+00 -5.1187E+00 7.5709E+00 H2 2064 1.008000 0.423800 9.9437E+00 -6.3070E+00 7.9089E+00 O6 2065 15.999400 -0.847600 -4.0900E+00 1.1318E+01 -1.9501E+01 H1 2066 1.008000 0.423800 -4.9212E+00 1.0934E+01 1.9195E+01 H2 2067 1.008000 0.423800 -3.7212E+00 1.0681E+01 -1.8825E+01 O6 2068 15.999400 -0.847600 6.6264E+00 6.7031E-01 -1.7815E+01 H1 2069 1.008000 0.423800 7.1488E+00 8.4355E-01 -1.6980E+01 H2 2070 1.008000 0.423800 5.8738E+00 4.3557E-02 -1.7613E+01 O6 2071 15.999400 -0.847600 -6.2599E+00 -5.1193E+00 2.1208E+00 H1 2072 1.008000 0.423800 -5.7428E+00 -5.6975E+00 1.4896E+00 H2 2073 1.008000 0.423800 -5.8650E+00 -4.2007E+00 2.1308E+00 O6 2074 15.999400 -0.847600 -8.8333E+00 1.9397E+00 -1.5564E+01 H1 2075 1.008000 0.423800 -7.9887E+00 2.2280E+00 -1.6016E+01 H2 2076 1.008000 0.423800 -8.6189E+00 1.5715E+00 -1.4660E+01 O6 2077 15.999400 -0.847600 4.5621E+00 3.6391E+00 1.1513E+01 H1 2078 1.008000 0.423800 4.7782E+00 3.6155E+00 1.0536E+01 H2 2079 1.008000 0.423800 4.0218E+00 2.8330E+00 1.1754E+01 O6 2080 15.999400 -0.847600 -5.4373E+00 1.1798E+01 -4.8908E+00 H1 2081 1.008000 0.423800 -5.7137E+00 1.2751E+01 -4.7689E+00 H2 2082 1.008000 0.423800 -5.9028E+00 1.1416E+01 -5.6889E+00 O6 2083 15.999400 -0.847600 -3.9262E+00 -2.3490E+00 1.8652E+01 H1 2084 1.008000 0.423800 -3.9714E+00 -2.4034E+00 -1.9448E+01 H2 2085 1.008000 0.423800 -4.6089E+00 -1.6968E+00 1.8323E+01 O6 2086 15.999400 -0.847600 -2.4711E+00 2.7755E+00 1.4839E+01 H1 2087 1.008000 0.423800 -3.0857E+00 3.4961E+00 1.5160E+01 H2 2088 1.008000 0.423800 -1.6106E+00 3.1830E+00 1.4534E+01 O6 2089 15.999400 -0.847600 -2.8861E+00 6.7079E+00 6.9098E+00 H1 2090 1.008000 0.423800 -2.6198E+00 6.3137E+00 6.0302E+00 H2 2091 1.008000 0.423800 -2.0930E+00 7.1471E+00 7.3319E+00 O6 2092 15.999400 -0.847600 -1.4019E+01 -4.0716E+00 -8.0795E+00 H1 2093 1.008000 0.423800 -1.4759E+01 -4.6990E+00 -8.3223E+00 H2 2094 1.008000 0.423800 -1.4330E+01 -3.4537E+00 -7.3572E+00 O6 2095 15.999400 -0.847600 1.5026E+01 5.5230E+00 4.3831E+00 H1 2096 1.008000 0.423800 1.4315E+01 5.5405E+00 3.6802E+00 H2 2097 1.008000 0.423800 1.5876E+01 5.8905E+00 4.0063E+00 O6 2098 15.999400 -0.847600 -1.4505E+01 9.0365E+00 1.2663E+01 H1 2099 1.008000 0.423800 -1.4468E+01 8.1257E+00 1.2252E+01 H2 2100 1.008000 0.423800 -1.5380E+01 9.1548E+00 1.3133E+01 O6 2101 15.999400 -0.847600 -1.3416E+01 -1.3291E+01 -1.1508E+00 H1 2102 1.008000 0.423800 -1.2903E+01 -1.3877E+01 -1.7772E+00 H2 2103 1.008000 0.423800 -1.2873E+01 -1.3127E+01 -3.2696E-01 O6 2104 15.999400 -0.847600 -3.7014E+00 -9.6667E+00 -9.2860E+00 H1 2105 1.008000 0.423800 -2.7675E+00 -9.6545E+00 -8.9287E+00 H2 2106 1.008000 0.423800 -3.8866E+00 -1.0556E+01 -9.7046E+00 O6 2107 15.999400 -0.847600 1.0949E+01 4.6919E+00 -4.1660E+00 H1 2108 1.008000 0.423800 1.1741E+01 5.2381E+00 -4.4392E+00 H2 2109 1.008000 0.423800 1.0480E+01 5.1418E+00 -3.4059E+00 O6 2110 15.999400 -0.847600 -1.5618E+01 -9.8459E+00 -1.3313E+01 H1 2111 1.008000 0.423800 -1.5518E+01 -9.6991E+00 -1.4297E+01 H2 2112 1.008000 0.423800 -1.5154E+01 -1.0693E+01 -1.3054E+01 O6 2113 15.999400 -0.847600 1.8366E+01 1.0132E+01 -9.4107E+00 H1 2114 1.008000 0.423800 1.7629E+01 9.4684E+00 -9.5414E+00 H2 2115 1.008000 0.423800 1.8023E+01 1.1052E+01 -9.5996E+00 O6 2116 15.999400 -0.847600 -1.4322E+01 1.3577E+01 -8.7748E+00 H1 2117 1.008000 0.423800 -1.3773E+01 1.2912E+01 -8.2693E+00 H2 2118 1.008000 0.423800 -1.3902E+01 1.3749E+01 -9.6659E+00 O6 2119 15.999400 -0.847600 1.1834E+01 -1.7627E+01 1.0455E+00 H1 2120 1.008000 0.423800 1.1005E+01 -1.7156E+01 7.4476E-01 H2 2121 1.008000 0.423800 1.2604E+01 -1.7345E+01 4.7324E-01 O6 2122 15.999400 -0.847600 -1.9886E+00 1.4331E+01 1.4129E+01 H1 2123 1.008000 0.423800 -1.1991E+00 1.4136E+01 1.3547E+01 H2 2124 1.008000 0.423800 -1.7437E+00 1.5031E+01 1.4799E+01 O6 2125 15.999400 -0.847600 6.2368E+00 1.2287E+01 1.9926E-01 H1 2126 1.008000 0.423800 5.5308E+00 1.2339E+01 -5.0708E-01 H2 2127 1.008000 0.423800 7.1313E+00 1.2468E+01 -2.0983E-01 O6 2128 15.999400 -0.847600 1.7782E+01 1.8431E+00 1.2433E+01 H1 2129 1.008000 0.423800 1.8439E+01 1.1596E+00 1.2750E+01 H2 2130 1.008000 0.423800 1.8212E+01 2.4262E+00 1.1744E+01 O6 2131 15.999400 -0.847600 1.9253E+01 -2.3046E+00 -1.0701E+01 H1 2132 1.008000 0.423800 1.8450E+01 -1.8465E+00 -1.1082E+01 H2 2133 1.008000 0.423800 -1.9200E+01 -1.6195E+00 -1.0361E+01 O6 2134 15.999400 -0.847600 -1.5198E+01 1.5039E+01 -5.7436E+00 H1 2135 1.008000 0.423800 -1.4322E+01 1.5424E+01 -5.4539E+00 H2 2136 1.008000 0.423800 -1.5037E+01 1.4292E+01 -6.3889E+00 O6 2137 15.999400 -0.847600 -5.4547E+00 7.9744E+00 1.3677E+00 H1 2138 1.008000 0.423800 -4.5827E+00 8.1267E+00 1.8330E+00 H2 2139 1.008000 0.423800 -5.2887E+00 7.5380E+00 4.8336E-01 O6 2140 15.999400 -0.847600 2.5531E+00 -1.3018E+01 6.0900E+00 H1 2141 1.008000 0.423800 2.4352E+00 -1.2539E+01 5.2198E+00 H2 2142 1.008000 0.423800 2.0805E+00 -1.3898E+01 6.0528E+00 O6 2143 15.999400 -0.847600 -1.6900E+01 1.5052E+01 1.5319E+01 H1 2144 1.008000 0.423800 -1.7531E+01 1.5744E+01 1.5670E+01 H2 2145 1.008000 0.423800 -1.5961E+01 1.5310E+01 1.5547E+01 O6 2146 15.999400 -0.847600 -7.4089E+00 -1.4370E+01 8.7521E+00 H1 2147 1.008000 0.423800 -6.8223E+00 -1.3602E+01 9.0085E+00 H2 2148 1.008000 0.423800 -8.3463E+00 -1.4187E+01 9.0481E+00 O6 2149 15.999400 -0.847600 -6.3464E+00 -1.8246E+01 -1.2983E+01 H1 2150 1.008000 0.423800 -7.0721E+00 -1.8037E+01 -1.2327E+01 H2 2151 1.008000 0.423800 -5.4637E+00 -1.8249E+01 -1.2513E+01 O6 2152 15.999400 -0.847600 -1.0002E+00 2.3949E+00 4.3538E+00 H1 2153 1.008000 0.423800 -8.3530E-01 2.9428E+00 5.1739E+00 H2 2154 1.008000 0.423800 -1.9236E+00 2.5732E+00 4.0140E+00 O6 2155 15.999400 -0.847600 -8.9645E+00 -5.0645E+00 1.4260E+01 H1 2156 1.008000 0.423800 -9.0958E+00 -5.4853E+00 1.5158E+01 H2 2157 1.008000 0.423800 -8.7385E+00 -5.7719E+00 1.3590E+01 O6 2158 15.999400 -0.847600 -5.5924E+00 1.4279E+01 1.7199E+01 H1 2159 1.008000 0.423800 -5.5928E+00 1.3372E+01 1.6777E+01 H2 2160 1.008000 0.423800 -4.6692E+00 1.4499E+01 1.7514E+01 O6 2161 15.999400 -0.847600 -2.8744E+00 2.2383E+00 -9.2716E+00 H1 2162 1.008000 0.423800 -3.4258E+00 1.6156E+00 -9.8268E+00 H2 2163 1.008000 0.423800 -3.4742E+00 2.8876E+00 -8.8039E+00 O6 2164 15.999400 -0.847600 -6.2964E-01 4.3288E+00 -7.1957E+00 H1 2165 1.008000 0.423800 2.7251E-01 4.6521E+00 -6.9099E+00 H2 2166 1.008000 0.423800 -7.1136E-01 4.4044E+00 -8.1895E+00 O6 2167 15.999400 -0.847600 -1.8827E+01 -4.1592E+00 -1.2742E+01 H1 2168 1.008000 0.423800 -1.8985E+01 -3.5896E+00 -1.3548E+01 H2 2169 1.008000 0.423800 -1.9068E+01 -3.6453E+00 -1.1919E+01 O6 2170 15.999400 -0.847600 -3.4040E+00 1.1915E+01 1.4690E+01 H1 2171 1.008000 0.423800 -3.3265E+00 1.2846E+01 1.4333E+01 H2 2172 1.008000 0.423800 -2.7060E+00 1.1768E+01 1.5391E+01 O6 2173 15.999400 -0.847600 1.8705E-01 4.0646E+00 1.4537E+01 H1 2174 1.008000 0.423800 7.8778E-01 3.8431E+00 1.5306E+01 H2 2175 1.008000 0.423800 -1.9327E-01 4.9806E+00 1.4665E+01 O6 2176 15.999400 -0.847600 1.2519E+01 5.3107E+00 1.9270E+01 H1 2177 1.008000 0.423800 1.2603E+01 4.3297E+00 1.9445E+01 H2 2178 1.008000 0.423800 1.1555E+01 5.5733E+00 1.9302E+01 O6 2179 15.999400 -0.847600 7.4031E+00 6.5999E+00 -4.2625E+00 H1 2180 1.008000 0.423800 7.1957E+00 7.3201E+00 -3.6005E+00 H2 2181 1.008000 0.423800 7.9814E+00 5.9074E+00 -3.8314E+00 O6 2182 15.999400 -0.847600 8.5665E+00 1.0286E+01 1.5578E+01 H1 2183 1.008000 0.423800 8.9330E+00 1.1166E+01 1.5880E+01 H2 2184 1.008000 0.423800 9.1062E+00 9.5452E+00 1.5978E+01 O6 2185 15.999400 -0.847600 -3.3144E+00 -1.1039E+01 -1.2578E+01 H1 2186 1.008000 0.423800 -3.0920E+00 -1.0121E+01 -1.2249E+01 H2 2187 1.008000 0.423800 -2.8879E+00 -1.1185E+01 -1.3471E+01 O6 2188 15.999400 -0.847600 1.3618E+00 1.0542E+01 -4.0853E+00 H1 2189 1.008000 0.423800 2.0814E+00 9.8490E+00 -4.1306E+00 H2 2190 1.008000 0.423800 1.1866E+00 1.0901E+01 -5.0021E+00 O6 2191 15.999400 -0.847600 6.1995E+00 -6.3776E+00 1.7191E+01 H1 2192 1.008000 0.423800 5.5706E+00 -5.9280E+00 1.6557E+01 H2 2193 1.008000 0.423800 7.1206E+00 -6.3796E+00 1.6802E+01 O6 2194 15.999400 -0.847600 -1.4345E+01 1.5702E+01 1.6137E+01 H1 2195 1.008000 0.423800 -1.3690E+01 1.5086E+01 1.5699E+01 H2 2196 1.008000 0.423800 -1.4164E+01 1.6642E+01 1.5847E+01 O6 2197 15.999400 -0.847600 7.7033E+00 7.8092E+00 -1.0922E+01 H1 2198 1.008000 0.423800 7.7492E+00 8.1897E+00 -9.9987E+00 H2 2199 1.008000 0.423800 6.9516E+00 7.1519E+00 -1.0975E+01 O6 2200 15.999400 -0.847600 -1.0160E+01 6.8392E+00 8.0598E+00 H1 2201 1.008000 0.423800 -1.1042E+01 7.1184E+00 8.4390E+00 H2 2202 1.008000 0.423800 -9.4889E+00 6.7647E+00 8.7972E+00 O6 2203 15.999400 -0.847600 1.4950E+01 -2.7190E+00 1.0581E+01 H1 2204 1.008000 0.423800 1.4421E+01 -2.1635E+00 9.9395E+00 H2 2205 1.008000 0.423800 1.4419E+01 -3.5268E+00 1.0838E+01 O6 2206 15.999400 -0.847600 -2.1254E+00 -1.1580E+01 6.2700E+00 H1 2207 1.008000 0.423800 -1.7030E+00 -1.1165E+01 7.0757E+00 H2 2208 1.008000 0.423800 -1.8515E+00 -1.2540E+01 6.2073E+00 O6 2209 15.999400 -0.847600 7.9814E+00 5.5974E+00 1.6615E+01 H1 2210 1.008000 0.423800 7.0672E+00 5.9704E+00 1.6773E+01 H2 2211 1.008000 0.423800 8.6592E+00 6.3271E+00 1.6705E+01 O6 2212 15.999400 -0.847600 1.1333E+01 1.3718E+01 6.3047E+00 H1 2213 1.008000 0.423800 1.0970E+01 1.3012E+01 6.9125E+00 H2 2214 1.008000 0.423800 1.1754E+01 1.4443E+01 6.8500E+00 O6 2215 15.999400 -0.847600 -5.4551E+00 -1.0773E+01 -1.5941E+01 H1 2216 1.008000 0.423800 -4.6246E+00 -1.0748E+01 -1.6497E+01 H2 2217 1.008000 0.423800 -5.2107E+00 -1.0700E+01 -1.4974E+01 O6 2218 15.999400 -0.847600 -1.2364E+01 -1.1962E+01 -8.5935E+00 H1 2219 1.008000 0.423800 -1.2460E+01 -1.1235E+01 -7.9129E+00 H2 2220 1.008000 0.423800 -1.1792E+01 -1.2693E+01 -8.2220E+00 O6 2221 15.999400 -0.847600 1.7818E+01 1.2801E+01 4.8416E+00 H1 2222 1.008000 0.423800 1.8577E+01 1.2372E+01 4.3514E+00 H2 2223 1.008000 0.423800 1.8090E+01 1.2978E+01 5.7876E+00 O6 2224 15.999400 -0.847600 1.0159E+01 -1.1241E+01 -8.5948E+00 H1 2225 1.008000 0.423800 1.0060E+01 -1.0531E+01 -9.2921E+00 H2 2226 1.008000 0.423800 1.0173E+01 -1.2139E+01 -9.0336E+00 O6 2227 15.999400 -0.847600 4.8629E+00 -5.4982E+00 1.5091E+01 H1 2228 1.008000 0.423800 4.3276E+00 -5.7092E+00 1.4273E+01 H2 2229 1.008000 0.423800 4.4843E+00 -4.6873E+00 1.5537E+01 O6 2230 15.999400 -0.847600 -1.1457E+01 6.9786E+00 1.7324E+00 H1 2231 1.008000 0.423800 -1.2439E+01 6.9667E+00 1.5451E+00 H2 2232 1.008000 0.423800 -1.1065E+01 6.0843E+00 1.5155E+00 O6 2233 15.999400 -0.847600 -1.2681E+01 1.0382E+01 8.7351E+00 H1 2234 1.008000 0.423800 -1.1732E+01 1.0649E+01 8.5698E+00 H2 2235 1.008000 0.423800 -1.3196E+01 1.1172E+01 9.0682E+00 O6 2236 15.999400 -0.847600 -7.1440E+00 -4.4668E+00 -1.0432E+01 H1 2237 1.008000 0.423800 -7.6255E+00 -4.7918E+00 -1.1246E+01 H2 2238 1.008000 0.423800 -6.8208E+00 -5.2500E+00 -9.9011E+00 O6 2239 15.999400 -0.847600 -8.3184E+00 -1.6422E+01 -5.3380E+00 H1 2240 1.008000 0.423800 -7.8421E+00 -1.6593E+01 -4.4756E+00 H2 2241 1.008000 0.423800 -8.6157E+00 -1.7291E+01 -5.7333E+00 O6 2242 15.999400 -0.847600 1.3868E+01 9.4588E+00 5.6940E+00 H1 2243 1.008000 0.423800 1.4269E+01 8.8489E+00 6.3774E+00 H2 2244 1.008000 0.423800 1.3642E+01 1.0334E+01 6.1206E+00 O6 2245 15.999400 -0.847600 3.4172E+00 -2.8560E+00 -7.0993E+00 H1 2246 1.008000 0.423800 3.3879E+00 -3.1567E+00 -8.0526E+00 H2 2247 1.008000 0.423800 2.8888E+00 -3.4892E+00 -6.5338E+00 O6 2248 15.999400 -0.847600 -1.7397E+01 -1.7483E+01 -7.5834E+00 H1 2249 1.008000 0.423800 -1.7729E+01 -1.7150E+01 -6.7008E+00 H2 2250 1.008000 0.423800 -1.8113E+01 -1.8021E+01 -8.0277E+00 O6 2251 15.999400 -0.847600 -9.7512E+00 -9.2440E+00 4.9614E+00 H1 2252 1.008000 0.423800 -9.5019E+00 -9.3546E+00 5.9235E+00 H2 2253 1.008000 0.423800 -1.0020E+01 -8.2954E+00 4.7935E+00 O6 2254 15.999400 -0.847600 1.6860E+01 -2.6677E+00 -8.0456E+00 H1 2255 1.008000 0.423800 1.6842E+01 -2.7325E+00 -7.0478E+00 H2 2256 1.008000 0.423800 1.7592E+01 -2.0472E+00 -8.3260E+00 O6 2257 15.999400 -0.847600 -1.7283E+01 -1.6192E+01 -1.4142E+00 H1 2258 1.008000 0.423800 -1.6947E+01 -1.7120E+01 -1.5747E+00 H2 2259 1.008000 0.423800 -1.6875E+01 -1.5830E+01 -5.7608E-01 O6 2260 15.999400 -0.847600 -9.5158E+00 8.0169E-01 1.7422E+01 H1 2261 1.008000 0.423800 -9.7201E+00 1.3931E+00 1.8202E+01 H2 2262 1.008000 0.423800 -8.9502E+00 3.4509E-02 1.7725E+01 O6 2263 15.999400 -0.847600 -1.4678E+01 1.6112E+01 -9.0629E+00 H1 2264 1.008000 0.423800 -1.5627E+01 1.6197E+01 -8.7600E+00 H2 2265 1.008000 0.423800 -1.4356E+01 1.5181E+01 -8.8924E+00 O6 2266 15.999400 -0.847600 -7.7647E+00 3.4373E+00 -2.2106E+00 H1 2267 1.008000 0.423800 -7.6980E+00 3.9715E+00 -3.0533E+00 H2 2268 1.008000 0.423800 -8.7202E+00 3.3926E+00 -1.9191E+00 O6 2269 15.999400 -0.847600 8.4824E+00 -1.6188E+01 -1.7396E+01 H1 2270 1.008000 0.423800 9.2487E+00 -1.6132E+01 -1.6756E+01 H2 2271 1.008000 0.423800 8.0519E+00 -1.7088E+01 -1.7322E+01 O6 2272 15.999400 -0.847600 -1.8567E+00 -1.9499E+01 1.1536E+01 H1 2273 1.008000 0.423800 -1.3554E+00 -1.9491E+01 1.0671E+01 H2 2274 1.008000 0.423800 -2.1148E+00 -1.8564E+01 1.1780E+01 O6 2275 15.999400 -0.847600 1.7812E+01 1.2448E+01 1.6220E+01 H1 2276 1.008000 0.423800 1.7113E+01 1.3048E+01 1.5831E+01 H2 2277 1.008000 0.423800 1.7760E+01 1.1549E+01 1.5785E+01 O6 2278 15.999400 -0.847600 -1.2674E+01 1.3833E+01 1.4879E+01 H1 2279 1.008000 0.423800 -1.2077E+01 1.3876E+01 1.4078E+01 H2 2280 1.008000 0.423800 -1.2232E+01 1.3293E+01 1.5595E+01 O6 2281 15.999400 -0.847600 3.0996E+00 1.8317E+01 1.5853E+01 H1 2282 1.008000 0.423800 3.3812E+00 1.9266E+01 1.5997E+01 H2 2283 1.008000 0.423800 3.0996E+00 1.7834E+01 1.6729E+01 O6 2284 15.999400 -0.847600 -7.8375E+00 1.1254E+01 -1.4581E+01 H1 2285 1.008000 0.423800 -8.0888E+00 1.0586E+01 -1.3881E+01 H2 2286 1.008000 0.423800 -8.4099E+00 1.1120E+01 -1.5390E+01 O6 2287 15.999400 -0.847600 3.9752E+00 -1.8168E+01 -1.0859E+01 H1 2288 1.008000 0.423800 3.3126E+00 -1.8866E+01 -1.1131E+01 H2 2289 1.008000 0.423800 3.8274E+00 -1.7340E+01 -1.1399E+01 O6 2290 15.999400 -0.847600 -1.3473E+01 -1.6452E+01 -7.2867E+00 H1 2291 1.008000 0.423800 -1.2506E+01 -1.6663E+01 -7.1485E+00 H2 2292 1.008000 0.423800 -1.4025E+01 -1.7256E+01 -7.0614E+00 O6 2293 15.999400 -0.847600 5.0420E+00 -1.6840E+01 7.9616E+00 H1 2294 1.008000 0.423800 4.8180E+00 -1.7795E+01 8.1562E+00 H2 2295 1.008000 0.423800 4.3042E+00 -1.6427E+01 7.4280E+00 O6 2296 15.999400 -0.847600 1.3402E+00 -1.1804E+01 -3.3518E+00 H1 2297 1.008000 0.423800 2.0627E+00 -1.1122E+01 -3.2334E+00 H2 2298 1.008000 0.423800 1.7205E+00 -1.2719E+01 -3.2205E+00 O6 2299 15.999400 -0.847600 1.3599E+01 -7.0744E+00 -1.0064E+01 H1 2300 1.008000 0.423800 1.3821E+01 -6.1707E+00 -1.0430E+01 H2 2301 1.008000 0.423800 1.2902E+01 -6.9837E+00 -9.3529E+00 O6 2302 15.999400 -0.847600 -1.3108E+01 -1.6387E+00 6.9628E+00 H1 2303 1.008000 0.423800 -1.3522E+01 -2.1426E+00 7.7213E+00 H2 2304 1.008000 0.423800 -1.3187E+01 -6.5648E-01 7.1331E+00 O6 2305 15.999400 -0.847600 4.1787E+00 1.8134E+00 -5.1472E+00 H1 2306 1.008000 0.423800 4.4088E+00 1.4044E+00 -4.2641E+00 H2 2307 1.008000 0.423800 4.9898E+00 2.2542E+00 -5.5317E+00 O6 2308 15.999400 -0.847600 -4.5834E+00 4.6094E+00 -1.6844E+01 H1 2309 1.008000 0.423800 -5.3349E+00 3.9513E+00 -1.6796E+01 H2 2310 1.008000 0.423800 -4.9106E+00 5.4593E+00 -1.7257E+01 O6 2311 15.999400 -0.847600 3.8408E+00 -1.3005E+01 -6.1496E+00 H1 2312 1.008000 0.423800 4.8100E+00 -1.2770E+01 -6.0751E+00 H2 2313 1.008000 0.423800 3.5107E+00 -1.3341E+01 -5.2676E+00 O6 2314 15.999400 -0.847600 -1.1484E+01 -4.7790E-01 1.0605E+01 H1 2315 1.008000 0.423800 -1.2412E+01 -3.2709E-01 1.0945E+01 H2 2316 1.008000 0.423800 -1.0918E+01 -8.5689E-01 1.1337E+01 O6 2317 15.999400 -0.847600 -1.2582E+01 -7.7437E+00 1.2885E+01 H1 2318 1.008000 0.423800 -1.3098E+01 -8.0602E+00 1.2089E+01 H2 2319 1.008000 0.423800 -1.1613E+01 -7.9576E+00 1.2760E+01 O6 2320 15.999400 -0.847600 -9.9007E+00 -1.0269E+01 1.8643E+01 H1 2321 1.008000 0.423800 -1.0572E+01 -1.0965E+01 1.8391E+01 H2 2322 1.008000 0.423800 -9.6710E+00 -9.7207E+00 1.7839E+01 O6 2323 15.999400 -0.847600 3.8176E+00 -1.1087E+01 -1.7601E+01 H1 2324 1.008000 0.423800 2.8247E+00 -1.1067E+01 -1.7719E+01 H2 2325 1.008000 0.423800 4.0618E+00 -1.0619E+01 -1.6751E+01 O6 2326 15.999400 -0.847600 4.8949E+00 -1.5180E+01 -4.1652E+00 H1 2327 1.008000 0.423800 4.4893E+00 -1.6020E+01 -4.5261E+00 H2 2328 1.008000 0.423800 5.8651E+00 -1.5148E+01 -4.4052E+00 O6 2329 15.999400 -0.847600 3.8229E+00 1.0723E+01 1.4802E+01 H1 2330 1.008000 0.423800 4.3443E+00 1.1349E+01 1.4223E+01 H2 2331 1.008000 0.423800 3.0649E+00 1.1216E+01 1.5229E+01 O6 2332 15.999400 -0.847600 -1.4623E+01 -1.4059E+01 5.0570E+00 H1 2333 1.008000 0.423800 -1.4750E+01 -1.4524E+01 5.9334E+00 H2 2334 1.008000 0.423800 -1.3898E+01 -1.3375E+01 5.1443E+00 O6 2335 15.999400 -0.847600 -4.9807E+00 -8.2699E+00 7.9979E+00 H1 2336 1.008000 0.423800 -5.9149E+00 -7.9462E+00 7.8475E+00 H2 2337 1.008000 0.423800 -4.5164E+00 -8.3683E+00 7.1178E+00 O6 2338 15.999400 -0.847600 1.4267E+01 1.4639E+01 -1.6732E+01 H1 2339 1.008000 0.423800 1.4503E+01 1.3671E+01 -1.6816E+01 H2 2340 1.008000 0.423800 1.4968E+01 1.5194E+01 -1.7180E+01 O6 2341 15.999400 -0.847600 -1.1593E+01 -6.4643E+00 2.2179E+00 H1 2342 1.008000 0.423800 -1.2530E+01 -6.1946E+00 2.4371E+00 H2 2343 1.008000 0.423800 -1.1039E+01 -6.4502E+00 3.0502E+00 O6 2344 15.999400 -0.847600 -1.5718E+01 8.7905E+00 -1.9099E+01 H1 2345 1.008000 0.423800 -1.4909E+01 8.2962E+00 -1.8781E+01 H2 2346 1.008000 0.423800 -1.5724E+01 9.7093E+00 -1.8704E+01 O6 2347 15.999400 -0.847600 1.3943E+01 -1.7150E+01 -7.8814E+00 H1 2348 1.008000 0.423800 1.4691E+01 -1.7259E+01 -7.2272E+00 H2 2349 1.008000 0.423800 1.3858E+01 -1.6186E+01 -8.1322E+00 O6 2350 15.999400 -0.847600 -8.7841E+00 -1.7722E+00 3.5031E+00 H1 2351 1.008000 0.423800 -8.0431E+00 -1.1007E+00 3.5003E+00 H2 2352 1.008000 0.423800 -8.9191E+00 -2.1158E+00 4.4324E+00 O6 2353 15.999400 -0.847600 -1.5251E+01 3.0084E-01 -1.8457E+01 H1 2354 1.008000 0.423800 -1.4746E+01 -3.0742E-01 -1.7845E+01 H2 2355 1.008000 0.423800 -1.4676E+01 5.3803E-01 -1.9240E+01 O6 2356 15.999400 -0.847600 1.4757E+00 -5.0972E+00 -1.2702E+01 H1 2357 1.008000 0.423800 2.4489E+00 -5.3075E+00 -1.2796E+01 H2 2358 1.008000 0.423800 1.3152E+00 -4.6474E+00 -1.1823E+01 O6 2359 15.999400 -0.847600 1.2916E+01 1.5699E+01 7.5713E+00 H1 2360 1.008000 0.423800 1.2804E+01 1.6607E+01 7.9747E+00 H2 2361 1.008000 0.423800 1.3065E+01 1.5788E+01 6.5864E+00 O6 2362 15.999400 -0.847600 -3.7156E+00 1.5375E+01 -2.8528E+00 H1 2363 1.008000 0.423800 -2.7186E+00 1.5433E+01 -2.9056E+00 H2 2364 1.008000 0.423800 -4.1077E+00 1.5548E+01 -3.7563E+00 O6 2365 15.999400 -0.847600 -1.7953E+01 7.3664E+00 -1.9532E+01 H1 2366 1.008000 0.423800 -1.7166E+01 7.9789E+00 1.9495E+01 H2 2367 1.008000 0.423800 -1.8639E+01 7.6263E+00 1.8886E+01 O6 2368 15.999400 -0.847600 -9.6970E-01 -1.0438E+01 -2.4719E+00 H1 2369 1.008000 0.423800 -1.5550E-01 -1.0717E+01 -2.9813E+00 H2 2370 1.008000 0.423800 -7.2574E-01 -1.0278E+01 -1.5155E+00 O6 2371 15.999400 -0.847600 -7.7760E+00 4.4237E+00 1.1639E+01 H1 2372 1.008000 0.423800 -8.2538E+00 4.1849E+00 1.2484E+01 H2 2373 1.008000 0.423800 -7.5352E+00 3.5883E+00 1.1145E+01 O6 2374 15.999400 -0.847600 4.1524E-01 3.1285E+00 1.9468E+00 H1 2375 1.008000 0.423800 1.0955E+00 2.4213E+00 1.7541E+00 H2 2376 1.008000 0.423800 -1.1534E-01 2.8694E+00 2.7538E+00 O6 2377 15.999400 -0.847600 -1.1996E+01 9.4317E+00 1.3524E+01 H1 2378 1.008000 0.423800 -1.1465E+01 9.6592E+00 1.2709E+01 H2 2379 1.008000 0.423800 -1.2971E+01 9.5306E+00 1.3325E+01 O6 2380 15.999400 -0.847600 -1.0408E+01 -1.2630E+01 -1.5582E+01 H1 2381 1.008000 0.423800 -1.1021E+01 -1.1880E+01 -1.5336E+01 H2 2382 1.008000 0.423800 -9.4610E+00 -1.2355E+01 -1.5416E+01 O6 2383 15.999400 -0.847600 1.3658E+01 1.8811E+01 3.3617E+00 H1 2384 1.008000 0.423800 1.3511E+01 1.8171E+01 2.6072E+00 H2 2385 1.008000 0.423800 1.2904E+01 1.8735E+01 4.0142E+00 O6 2386 15.999400 -0.847600 7.5200E+00 8.1613E+00 7.6893E+00 H1 2387 1.008000 0.423800 6.9820E+00 8.8670E+00 7.2282E+00 H2 2388 1.008000 0.423800 6.9090E+00 7.5582E+00 8.2020E+00 O6 2389 15.999400 -0.847600 1.9484E+01 -1.0716E+01 -1.1617E+01 H1 2390 1.008000 0.423800 1.9102E+01 -1.0179E+01 -1.0864E+01 H2 2391 1.008000 0.423800 -1.8698E+01 -1.0378E+01 -1.1836E+01 O6 2392 15.999400 -0.847600 1.2666E+01 -8.9380E-01 -3.4771E-02 H1 2393 1.008000 0.423800 1.2758E+01 -1.8445E+00 2.6146E-01 H2 2394 1.008000 0.423800 1.3540E+01 -4.2209E-01 8.1567E-02 O6 2395 15.999400 -0.847600 9.9962E+00 -4.9197E+00 -5.4071E+00 H1 2396 1.008000 0.423800 1.0716E+01 -4.3090E+00 -5.0780E+00 H2 2397 1.008000 0.423800 1.0341E+01 -5.8582E+00 -5.4317E+00 O6 2398 15.999400 -0.847600 -3.6308E+00 7.5583E+00 -5.3985E+00 H1 2399 1.008000 0.423800 -3.4378E+00 6.6677E+00 -4.9867E+00 H2 2400 1.008000 0.423800 -2.8076E+00 8.1251E+00 -5.3680E+00 O6 2401 15.999400 -0.847600 -1.0391E+01 1.4933E+00 1.0437E+00 H1 2402 1.008000 0.423800 -1.1330E+01 1.2544E+00 1.2903E+00 H2 2403 1.008000 0.423800 -9.9524E+00 7.0993E-01 6.0296E-01 O6 2404 15.999400 -0.847600 1.5903E+01 -1.2675E+00 -5.7152E+00 H1 2405 1.008000 0.423800 1.6684E+01 -8.2965E-01 -5.2700E+00 H2 2406 1.008000 0.423800 1.5064E+01 -1.0321E+00 -5.2238E+00 O6 2407 15.999400 -0.847600 -8.8742E+00 1.2365E+01 -1.1128E+01 H1 2408 1.008000 0.423800 -8.7919E+00 1.2763E+01 -1.0215E+01 H2 2409 1.008000 0.423800 -8.4085E+00 1.2952E+01 -1.1791E+01 O6 2410 15.999400 -0.847600 -1.3945E+01 5.6092E+00 -1.3082E+01 H1 2411 1.008000 0.423800 -1.3545E+01 6.4808E+00 -1.3365E+01 H2 2412 1.008000 0.423800 -1.3768E+01 4.9178E+00 -1.3783E+01 O6 2413 15.999400 -0.847600 -1.0181E+01 1.1070E+01 8.0827E+00 H1 2414 1.008000 0.423800 -1.0274E+01 1.1886E+01 7.5123E+00 H2 2415 1.008000 0.423800 -9.6873E+00 1.0364E+01 7.5756E+00 O6 2416 15.999400 -0.847600 -5.4652E+00 -1.2296E+00 6.7023E+00 H1 2417 1.008000 0.423800 -4.6275E+00 -1.7281E+00 6.4794E+00 H2 2418 1.008000 0.423800 -5.4438E+00 -3.2995E-01 6.2663E+00 O6 2419 15.999400 -0.847600 1.1971E+01 -6.7644E+00 9.0673E+00 H1 2420 1.008000 0.423800 1.2685E+01 -7.3868E+00 8.7456E+00 H2 2421 1.008000 0.423800 1.1216E+01 -7.2942E+00 9.4527E+00 O6 2422 15.999400 -0.847600 -1.0044E+01 -1.3699E+01 9.0707E+00 H1 2423 1.008000 0.423800 -1.0293E+01 -1.3957E+01 1.0004E+01 H2 2424 1.008000 0.423800 -1.0813E+01 -1.3882E+01 8.4581E+00 O6 2425 15.999400 -0.847600 -1.2327E+01 -1.4484E+00 -7.7051E+00 H1 2426 1.008000 0.423800 -1.2767E+01 -6.7454E-01 -7.2499E+00 H2 2427 1.008000 0.423800 -1.3025E+01 -2.0965E+00 -8.0104E+00 O6 2428 15.999400 -0.847600 1.8537E+01 -9.5867E+00 1.4864E+00 H1 2429 1.008000 0.423800 1.8648E+01 -8.6276E+00 1.2258E+00 H2 2430 1.008000 0.423800 1.9062E+01 -9.7689E+00 2.3179E+00 O6 2431 15.999400 -0.847600 1.1591E+01 8.0450E+00 1.0501E+00 H1 2432 1.008000 0.423800 1.1622E+01 7.7098E+00 1.0849E-01 H2 2433 1.008000 0.423800 1.0640E+01 8.1909E+00 1.3208E+00 O6 2434 15.999400 -0.847600 1.0278E+01 -5.9048E+00 2.2509E+00 H1 2435 1.008000 0.423800 1.0119E+01 -6.0431E+00 1.2734E+00 H2 2436 1.008000 0.423800 9.4366E+00 -6.0976E+00 2.7560E+00 O6 2437 15.999400 -0.847600 1.6506E+01 -9.5702E+00 1.9009E+01 H1 2438 1.008000 0.423800 1.6603E+01 -8.6531E+00 1.9396E+01 H2 2439 1.008000 0.423800 1.5813E+01 -1.0076E+01 1.9522E+01 O6 2440 15.999400 -0.847600 1.4634E+01 -3.9749E+00 1.3862E+01 H1 2441 1.008000 0.423800 1.4898E+01 -4.3131E+00 1.4766E+01 H2 2442 1.008000 0.423800 1.3742E+01 -4.3517E+00 1.3614E+01 O6 2443 15.999400 -0.847600 -1.9671E-01 1.6884E+01 1.9003E+01 H1 2444 1.008000 0.423800 -1.0680E+00 1.7174E+01 1.8606E+01 H2 2445 1.008000 0.423800 2.2040E-01 1.7653E+01 1.9488E+01 O6 2446 15.999400 -0.847600 5.2337E+00 4.1145E+00 8.8150E+00 H1 2447 1.008000 0.423800 6.0886E+00 3.6494E+00 8.5847E+00 H2 2448 1.008000 0.423800 4.5979E+00 4.0428E+00 8.0465E+00 O6 2449 15.999400 -0.847600 1.8292E+01 -1.1502E+01 -8.0672E+00 H1 2450 1.008000 0.423800 1.9102E+01 -1.1285E+01 -7.5234E+00 H2 2451 1.008000 0.423800 1.8252E+01 -1.0897E+01 -8.8627E+00 O6 2452 15.999400 -0.847600 -1.8377E+01 3.9764E+00 -6.2278E-01 H1 2453 1.008000 0.423800 -1.8263E+01 4.9259E+00 -3.3022E-01 H2 2454 1.008000 0.423800 -1.8582E+01 3.4052E+00 1.7189E-01 O6 2455 15.999400 -0.847600 -9.1474E+00 1.0225E+00 -7.2362E+00 H1 2456 1.008000 0.423800 -1.0061E+01 7.2622E-01 -7.5164E+00 H2 2457 1.008000 0.423800 -9.2204E+00 1.8593E+00 -6.6937E+00 O6 2458 15.999400 -0.847600 -1.1377E+01 -1.3930E+01 5.2575E+00 H1 2459 1.008000 0.423800 -1.1366E+01 -1.2959E+01 5.0186E+00 H2 2460 1.008000 0.423800 -1.1769E+01 -1.4454E+01 4.5016E+00 O6 2461 15.999400 -0.847600 -1.3486E+01 1.1980E+01 -6.8362E+00 H1 2462 1.008000 0.423800 -1.3300E+01 1.2006E+01 -5.8540E+00 H2 2463 1.008000 0.423800 -1.4394E+01 1.1592E+01 -6.9930E+00 O6 2464 15.999400 -0.847600 -1.2016E+01 9.3150E+00 -8.6375E+00 H1 2465 1.008000 0.423800 -1.2459E+01 9.6347E+00 -9.4747E+00 H2 2466 1.008000 0.423800 -1.2712E+01 9.0257E+00 -7.9808E+00 O6 2467 15.999400 -0.847600 -1.7560E+01 1.7635E+01 -1.3233E+01 H1 2468 1.008000 0.423800 -1.6780E+01 1.7757E+01 -1.3846E+01 H2 2469 1.008000 0.423800 -1.8199E+01 1.6979E+01 -1.3634E+01 O6 2470 15.999400 -0.847600 1.3357E+01 3.4151E+00 -7.9350E+00 H1 2471 1.008000 0.423800 1.3674E+01 2.9819E+00 -8.7786E+00 H2 2472 1.008000 0.423800 1.3291E+01 2.7276E+00 -7.2118E+00 O6 2473 15.999400 -0.847600 -1.1571E+00 1.1887E+01 -3.0220E+00 H1 2474 1.008000 0.423800 -8.0101E-01 1.1035E+01 -2.6392E+00 H2 2475 1.008000 0.423800 -2.1548E+00 1.1840E+01 -3.0695E+00 O6 2476 15.999400 -0.847600 -2.6025E+00 -4.2909E+00 -5.8974E+00 H1 2477 1.008000 0.423800 -3.0945E+00 -4.1292E+00 -6.7529E+00 H2 2478 1.008000 0.423800 -2.7552E+00 -5.2327E+00 -5.5980E+00 O6 2479 15.999400 -0.847600 -2.2856E-01 -1.7655E+01 9.9074E+00 H1 2480 1.008000 0.423800 -5.2234E-01 -1.6934E+01 9.2797E+00 H2 2481 1.008000 0.423800 -3.3073E-01 -1.7338E+01 1.0850E+01 O6 2482 15.999400 -0.847600 -5.6869E+00 9.8135E+00 -1.1636E+01 H1 2483 1.008000 0.423800 -5.0961E+00 1.0596E+01 -1.1441E+01 H2 2484 1.008000 0.423800 -5.1241E+00 9.0251E+00 -1.1885E+01 O6 2485 15.999400 -0.847600 1.3480E+01 7.9149E+00 1.9156E+01 H1 2486 1.008000 0.423800 1.3575E+01 8.3395E+00 1.8256E+01 H2 2487 1.008000 0.423800 1.3164E+01 6.9723E+00 1.9048E+01 O6 2488 15.999400 -0.847600 -5.6606E+00 -1.0067E+01 -2.5877E+00 H1 2489 1.008000 0.423800 -6.1437E+00 -1.0927E+01 -2.4223E+00 H2 2490 1.008000 0.423800 -4.7472E+00 -1.0262E+01 -2.9455E+00 O6 2491 15.999400 -0.847600 -6.3823E+00 8.6269E+00 -4.6422E+00 H1 2492 1.008000 0.423800 -5.5129E+00 8.1566E+00 -4.7934E+00 H2 2493 1.008000 0.423800 -6.3765E+00 9.5019E+00 -5.1261E+00 O6 2494 15.999400 -0.847600 7.1408E+00 -1.3770E+01 -8.9305E+00 H1 2495 1.008000 0.423800 6.5407E+00 -1.3488E+01 -9.6790E+00 H2 2496 1.008000 0.423800 6.8723E+00 -1.4680E+01 -8.6127E+00 O6 2497 15.999400 -0.847600 -1.7733E+01 -1.4159E+01 1.3064E+01 H1 2498 1.008000 0.423800 -1.7861E+01 -1.4152E+01 1.4056E+01 H2 2499 1.008000 0.423800 -1.8607E+01 -1.4354E+01 1.2617E+01 O6 2500 15.999400 -0.847600 1.7983E-01 6.5940E+00 5.6968E+00 H1 2501 1.008000 0.423800 4.0867E-01 5.6738E+00 6.0146E+00 H2 2502 1.008000 0.423800 4.8999E-01 6.7073E+00 4.7529E+00 O6 2503 15.999400 -0.847600 8.5521E+00 -3.0221E+00 -1.6110E+01 H1 2504 1.008000 0.423800 8.2101E+00 -3.5536E+00 -1.6885E+01 H2 2505 1.008000 0.423800 9.4248E+00 -3.4026E+00 -1.5804E+01 O6 2506 15.999400 -0.847600 -1.1661E+01 1.4628E+00 1.3664E+01 H1 2507 1.008000 0.423800 -1.1956E+01 9.8258E-01 1.4490E+01 H2 2508 1.008000 0.423800 -1.0689E+01 1.2894E+00 1.3506E+01 O6 2509 15.999400 -0.847600 -1.7745E+01 -3.1017E+00 -1.8401E+01 H1 2510 1.008000 0.423800 -1.7564E+01 -3.5471E+00 -1.7525E+01 H2 2511 1.008000 0.423800 -1.7498E+01 -3.7204E+00 -1.9147E+01 O6 2512 15.999400 -0.847600 2.7951E+00 -1.6799E+01 1.3240E+01 H1 2513 1.008000 0.423800 2.6508E+00 -1.6147E+01 1.2496E+01 H2 2514 1.008000 0.423800 3.5909E+00 -1.7369E+01 1.3034E+01 O6 2515 15.999400 -0.847600 -3.0851E+00 -1.1503E+01 -2.7414E-01 H1 2516 1.008000 0.423800 -2.4219E+00 -1.2243E+01 -1.6561E-01 H2 2517 1.008000 0.423800 -3.3518E+00 -1.1432E+01 -1.2353E+00 O6 2518 15.999400 -0.847600 1.2341E+01 -1.2802E+01 -1.2486E+01 H1 2519 1.008000 0.423800 1.2898E+01 -1.2396E+01 -1.1761E+01 H2 2520 1.008000 0.423800 1.1466E+01 -1.2322E+01 -1.2542E+01 O6 2521 15.999400 -0.847600 -1.1612E+01 -1.4996E+01 1.7096E+01 H1 2522 1.008000 0.423800 -1.0785E+01 -1.5036E+01 1.7656E+01 H2 2523 1.008000 0.423800 -1.1479E+01 -1.5538E+01 1.6266E+01 O6 2524 15.999400 -0.847600 -1.0767E+01 -1.8540E+00 -9.7830E+00 H1 2525 1.008000 0.423800 -9.7807E+00 -1.9217E+00 -9.6318E+00 H2 2526 1.008000 0.423800 -1.1206E+01 -1.4950E+00 -8.9597E+00 O6 2527 15.999400 -0.847600 -1.5621E+01 -2.1413E+00 -1.2761E+01 H1 2528 1.008000 0.423800 -1.4927E+01 -2.5433E+00 -1.3359E+01 H2 2529 1.008000 0.423800 -1.5837E+01 -2.7806E+00 -1.2023E+01 O6 2530 15.999400 -0.847600 1.1074E+01 -1.0717E+01 -2.6289E+00 H1 2531 1.008000 0.423800 1.1593E+01 -9.8897E+00 -2.8461E+00 H2 2532 1.008000 0.423800 1.1073E+01 -1.1327E+01 -3.4212E+00 O6 2533 15.999400 -0.847600 -6.1817E+00 -1.5636E+01 1.5658E+01 H1 2534 1.008000 0.423800 -5.9526E+00 -1.4723E+01 1.5996E+01 H2 2535 1.008000 0.423800 -5.5176E+00 -1.5911E+01 1.4963E+01 O6 2536 15.999400 -0.847600 3.8258E+00 -3.3966E+00 1.6573E+01 H1 2537 1.008000 0.423800 2.9534E+00 -3.2179E+00 1.6118E+01 H2 2538 1.008000 0.423800 4.3426E+00 -2.5440E+00 1.6649E+01 O6 2539 15.999400 -0.847600 1.2188E+01 9.0250E+00 8.3473E+00 H1 2540 1.008000 0.423800 1.3143E+01 9.3169E+00 8.2914E+00 H2 2541 1.008000 0.423800 1.1698E+01 9.6121E+00 8.9911E+00 O6 2542 15.999400 -0.847600 1.0866E+01 1.1488E+01 2.7997E+00 H1 2543 1.008000 0.423800 1.1772E+01 1.1729E+01 3.1483E+00 H2 2544 1.008000 0.423800 1.0350E+01 1.1012E+01 3.5119E+00 O6 2545 15.999400 -0.847600 2.9840E+00 -1.1297E+01 -8.7229E+00 H1 2546 1.008000 0.423800 3.3376E+00 -1.1874E+01 -7.9871E+00 H2 2547 1.008000 0.423800 3.0661E+00 -1.0335E+01 -8.4606E+00 O6 2548 15.999400 -0.847600 -3.1953E+00 1.7500E+01 -8.7149E+00 H1 2549 1.008000 0.423800 -2.5022E+00 1.8140E+01 -8.3836E+00 H2 2550 1.008000 0.423800 -2.7552E+00 1.6645E+01 -8.9890E+00 O6 2551 15.999400 -0.847600 1.1418E+01 -1.6117E+01 6.6322E+00 H1 2552 1.008000 0.423800 1.1859E+01 -1.5233E+01 6.7827E+00 H2 2553 1.008000 0.423800 1.1539E+01 -1.6393E+01 5.6786E+00 O6 2554 15.999400 -0.847600 6.5456E+00 -5.3296E-01 2.8123E+00 H1 2555 1.008000 0.423800 5.7414E+00 -1.1092E+00 2.6668E+00 H2 2556 1.008000 0.423800 7.3550E+00 -1.1107E+00 2.9175E+00 O6 2557 15.999400 -0.847600 -1.3865E+01 -1.4548E+01 1.8723E+01 H1 2558 1.008000 0.423800 -1.4671E+01 -1.4204E+01 1.8241E+01 H2 2559 1.008000 0.423800 -1.3195E+01 -1.4879E+01 1.8059E+01 O6 2560 15.999400 -0.847600 7.3444E+00 1.7090E+01 -7.5568E+00 H1 2561 1.008000 0.423800 6.7712E+00 1.7435E+01 -8.3001E+00 H2 2562 1.008000 0.423800 8.2292E+00 1.7556E+01 -7.5748E+00 O6 2563 15.999400 -0.847600 -8.8566E+00 1.7849E+01 1.2050E+01 H1 2564 1.008000 0.423800 -8.2236E+00 1.7599E+01 1.1317E+01 H2 2565 1.008000 0.423800 -9.6556E+00 1.7248E+01 1.2019E+01 O6 2566 15.999400 -0.847600 1.2494E+01 -7.3876E+00 2.9406E+00 H1 2567 1.008000 0.423800 1.1717E+01 -6.7899E+00 2.7430E+00 H2 2568 1.008000 0.423800 1.3346E+01 -6.8820E+00 2.8062E+00 O6 2569 15.999400 -0.847600 2.4100E+00 9.1999E+00 -1.0558E+01 H1 2570 1.008000 0.423800 2.6608E+00 9.4185E+00 -1.1501E+01 H2 2571 1.008000 0.423800 2.8392E+00 9.8569E+00 -9.9381E+00 O6 2572 15.999400 -0.847600 -1.1216E+01 -1.1443E+01 4.2954E+00 H1 2573 1.008000 0.423800 -1.0893E+01 -1.0520E+01 4.5062E+00 H2 2574 1.008000 0.423800 -1.0562E+01 -1.1895E+01 3.6891E+00 O6 2575 15.999400 -0.847600 9.4699E+00 -1.1555E+00 3.7750E-01 H1 2576 1.008000 0.423800 9.1409E+00 -1.1946E+00 -5.6606E-01 H2 2577 1.008000 0.423800 1.0352E+01 -6.8476E-01 4.0376E-01 O6 2578 15.999400 -0.847600 -7.8630E+00 1.1568E+01 1.4775E+01 H1 2579 1.008000 0.423800 -8.8429E+00 1.1485E+01 1.4594E+01 H2 2580 1.008000 0.423800 -7.5024E+00 1.2367E+01 1.4294E+01 O6 2581 15.999400 -0.847600 1.2570E+01 6.9297E+00 1.2458E+01 H1 2582 1.008000 0.423800 1.3375E+01 6.6384E+00 1.2975E+01 H2 2583 1.008000 0.423800 1.2045E+01 6.1259E+00 1.2178E+01 O6 2584 15.999400 -0.847600 1.8149E+01 4.3742E+00 -1.6494E+01 H1 2585 1.008000 0.423800 1.8689E+01 5.1829E+00 -1.6729E+01 H2 2586 1.008000 0.423800 1.7342E+01 4.6517E+00 -1.5974E+01 O6 2587 15.999400 -0.847600 1.1881E+01 -1.9083E+00 5.3272E+00 H1 2588 1.008000 0.423800 1.2057E+01 -2.4930E+00 6.1193E+00 H2 2589 1.008000 0.423800 1.1785E+01 -2.4753E+00 4.5092E+00 O6 2590 15.999400 -0.847600 9.1441E-01 1.1825E+01 -1.2169E+01 H1 2591 1.008000 0.423800 1.0433E+00 1.2775E+01 -1.2452E+01 H2 2592 1.008000 0.423800 1.6751E+00 1.1270E+01 -1.2506E+01 O6 2593 15.999400 -0.847600 -6.8457E+00 5.6532E+00 1.6435E+01 H1 2594 1.008000 0.423800 -6.7617E+00 6.6163E+00 1.6691E+01 H2 2595 1.008000 0.423800 -7.0097E+00 5.5830E+00 1.5451E+01 O6 2596 15.999400 -0.847600 -5.5233E+00 8.0917E+00 7.4981E+00 H1 2597 1.008000 0.423800 -5.0052E+00 7.2368E+00 7.5263E+00 H2 2598 1.008000 0.423800 -4.8992E+00 8.8541E+00 7.3273E+00 O6 2599 15.999400 -0.847600 -1.6049E+01 1.1193E+01 -6.6962E+00 H1 2600 1.008000 0.423800 -1.6084E+01 1.0670E+01 -5.8444E+00 H2 2601 1.008000 0.423800 -1.6773E+01 1.1882E+01 -6.6936E+00 O6 2602 15.999400 -0.847600 -4.7716E+00 -1.6206E+01 1.8911E+01 H1 2603 1.008000 0.423800 -3.8356E+00 -1.6513E+01 1.9084E+01 H2 2604 1.008000 0.423800 -4.8700E+00 -1.5255E+01 1.9203E+01 O6 2605 15.999400 -0.847600 1.7570E+01 -1.7169E+01 -1.7575E+01 H1 2606 1.008000 0.423800 1.8320E+01 -1.7411E+01 -1.8191E+01 H2 2607 1.008000 0.423800 1.7044E+01 -1.6416E+01 -1.7970E+01 O6 2608 15.999400 -0.847600 1.6506E+01 6.1348E+00 1.1009E+01 H1 2609 1.008000 0.423800 1.6239E+01 5.3200E+00 1.1524E+01 H2 2610 1.008000 0.423800 1.5689E+01 6.6573E+00 1.0765E+01 O6 2611 15.999400 -0.847600 5.3660E-01 1.0798E+01 -6.6554E+00 H1 2612 1.008000 0.423800 8.5895E-01 9.8538E+00 -6.7213E+00 H2 2613 1.008000 0.423800 3.6748E-01 1.1157E+01 -7.5733E+00 O6 2614 15.999400 -0.847600 6.5023E+00 -1.5876E+01 1.3943E+01 H1 2615 1.008000 0.423800 6.7516E+00 -1.6383E+01 1.4768E+01 H2 2616 1.008000 0.423800 5.7928E+00 -1.5207E+01 1.4165E+01 O6 2617 15.999400 -0.847600 4.0277E+00 1.1374E+01 -5.2232E+00 H1 2618 1.008000 0.423800 4.7336E+00 1.0832E+01 -4.7680E+00 H2 2619 1.008000 0.423800 3.3681E+00 1.0763E+01 -5.6608E+00 O6 2620 15.999400 -0.847600 6.7685E+00 1.7904E+01 -2.3059E+00 H1 2621 1.008000 0.423800 7.2087E+00 1.7146E+01 -2.7867E+00 H2 2622 1.008000 0.423800 7.4554E+00 1.8590E+01 -2.0653E+00 O6 2623 15.999400 -0.847600 1.9488E+00 -1.9286E+01 -2.9342E+00 H1 2624 1.008000 0.423800 2.7444E+00 -1.8887E+01 -3.3901E+00 H2 2625 1.008000 0.423800 1.2146E+00 -1.8609E+01 -2.8916E+00 O6 2626 15.999400 -0.847600 1.2665E+01 9.5345E+00 -9.3142E+00 H1 2627 1.008000 0.423800 1.2812E+01 9.4690E+00 -1.0301E+01 H2 2628 1.008000 0.423800 1.3421E+01 1.0039E+01 -8.8970E+00 O6 2629 15.999400 -0.847600 -1.9216E+01 -1.3338E+01 -1.1702E+01 H1 2630 1.008000 0.423800 -1.8256E+01 -1.3427E+01 -1.1435E+01 H2 2631 1.008000 0.423800 -1.9512E+01 -1.2392E+01 -1.1573E+01 O6 2632 15.999400 -0.847600 -3.7433E+00 -2.5546E+00 1.2999E+01 H1 2633 1.008000 0.423800 -3.2211E+00 -1.8008E+00 1.2601E+01 H2 2634 1.008000 0.423800 -3.1156E+00 -3.2732E+00 1.3299E+01 O6 2635 15.999400 -0.847600 1.3973E+01 -1.6665E+01 -4.4091E-01 H1 2636 1.008000 0.423800 1.4507E+01 -1.5896E+01 -9.1095E-02 H2 2637 1.008000 0.423800 1.4126E+01 -1.6758E+01 -1.4247E+00 O6 2638 15.999400 -0.847600 -1.0509E+01 1.9203E+01 -1.3762E+01 H1 2639 1.008000 0.423800 -1.1008E+01 -1.9060E+01 -1.3526E+01 H2 2640 1.008000 0.423800 -1.0343E+01 1.8669E+01 -1.2933E+01 O6 2641 15.999400 -0.847600 7.4139E+00 1.3447E+01 4.9511E+00 H1 2642 1.008000 0.423800 6.8855E+00 1.3671E+01 4.1321E+00 H2 2643 1.008000 0.423800 6.8262E+00 1.3519E+01 5.7569E+00 O6 2644 15.999400 -0.847600 9.3072E-01 -8.5510E+00 -1.0001E+01 H1 2645 1.008000 0.423800 1.7380E+00 -8.4877E+00 -9.4140E+00 H2 2646 1.008000 0.423800 1.2167E+00 -8.5873E+00 -1.0958E+01 O6 2647 15.999400 -0.847600 -1.1107E+01 6.7346E+00 -1.4060E+01 H1 2648 1.008000 0.423800 -1.0998E+01 5.7417E+00 -1.4107E+01 H2 2649 1.008000 0.423800 -1.0225E+01 7.1748E+00 -1.4229E+01 O6 2650 15.999400 -0.847600 -3.8140E+00 6.8436E+00 1.3246E+01 H1 2651 1.008000 0.423800 -4.6296E+00 6.2655E+00 1.3270E+01 H2 2652 1.008000 0.423800 -4.0498E+00 7.7365E+00 1.2862E+01 O6 2653 15.999400 -0.847600 -1.1060E+01 -4.8599E+00 1.8256E+01 H1 2654 1.008000 0.423800 -1.0955E+01 -5.8161E+00 1.8529E+01 H2 2655 1.008000 0.423800 -1.1885E+01 -4.7608E+00 1.7700E+01 O6 2656 15.999400 -0.847600 -1.2064E+01 4.1240E+00 9.5337E+00 H1 2657 1.008000 0.423800 -1.1218E+01 3.8843E+00 9.0584E+00 H2 2658 1.008000 0.423800 -1.1851E+01 4.6882E+00 1.0331E+01 O6 2659 15.999400 -0.847600 -1.9315E+01 1.5390E+01 -1.1570E+01 H1 2660 1.008000 0.423800 -1.8344E+01 1.5311E+01 -1.1344E+01 H2 2661 1.008000 0.423800 -1.9415E+01 1.5579E+01 -1.2547E+01 O6 2662 15.999400 -0.847600 -1.8580E+01 1.2454E+01 1.6474E+01 H1 2663 1.008000 0.423800 -1.7835E+01 1.2860E+01 1.5944E+01 H2 2664 1.008000 0.423800 -1.9455E+01 1.2807E+01 1.6143E+01 O6 2665 15.999400 -0.847600 -3.7545E+00 1.1443E+01 -1.0549E+01 H1 2666 1.008000 0.423800 -3.1156E+00 1.1806E+01 -1.1227E+01 H2 2667 1.008000 0.423800 -3.2499E+00 1.0919E+01 -9.8622E+00 O6 2668 15.999400 -0.847600 -3.7870E+00 8.7349E+00 -1.5469E+01 H1 2669 1.008000 0.423800 -4.6777E+00 8.3301E+00 -1.5262E+01 H2 2670 1.008000 0.423800 -3.0615E+00 8.1273E+00 -1.5146E+01 O6 2671 15.999400 -0.847600 1.1246E+01 9.4186E+00 1.3392E+01 H1 2672 1.008000 0.423800 1.1692E+01 8.5285E+00 1.3297E+01 H2 2673 1.008000 0.423800 1.1197E+01 9.6647E+00 1.4360E+01 O6 2674 15.999400 -0.847600 -1.1231E+01 -1.7446E+01 -4.1738E+00 H1 2675 1.008000 0.423800 -1.0914E+01 -1.7899E+01 -3.3407E+00 H2 2676 1.008000 0.423800 -1.0444E+01 -1.7182E+01 -4.7308E+00 O6 2677 15.999400 -0.847600 7.9834E+00 -4.4014E+00 -1.8521E+01 H1 2678 1.008000 0.423800 8.8218E+00 -4.3126E+00 -1.9059E+01 H2 2679 1.008000 0.423800 7.5316E+00 -5.2641E+00 -1.8748E+01 O6 2680 15.999400 -0.847600 -1.4358E+01 -2.7559E+00 8.9095E+00 H1 2681 1.008000 0.423800 -1.4991E+01 -1.9882E+00 9.0109E+00 H2 2682 1.008000 0.423800 -1.4434E+01 -3.3569E+00 9.7052E+00 O6 2683 15.999400 -0.847600 9.9419E+00 5.9092E+00 -1.9261E+01 H1 2684 1.008000 0.423800 9.1941E+00 5.3281E+00 1.9515E+01 H2 2685 1.008000 0.423800 9.7924E+00 6.1443E+00 -1.8301E+01 O6 2686 15.999400 -0.847600 -5.8417E+00 1.7561E+01 -1.2820E+01 H1 2687 1.008000 0.423800 -6.3300E+00 1.7998E+01 -1.3575E+01 H2 2688 1.008000 0.423800 -6.2821E+00 1.6691E+01 -1.2598E+01 O6 2689 15.999400 -0.847600 -1.8882E+01 1.7730E+01 3.7577E-01 H1 2690 1.008000 0.423800 -1.8859E+01 1.8507E+01 -2.5287E-01 H2 2691 1.008000 0.423800 -1.7950E+01 1.7492E+01 6.4741E-01 O6 2692 15.999400 -0.847600 1.4988E+01 -1.5374E+01 4.4694E+00 H1 2693 1.008000 0.423800 1.4851E+01 -1.4585E+01 3.8700E+00 H2 2694 1.008000 0.423800 1.4707E+01 -1.5138E+01 5.3997E+00 O6 2695 15.999400 -0.847600 6.7328E+00 -1.4040E+01 1.0024E+00 H1 2696 1.008000 0.423800 6.2503E+00 -1.4513E+01 1.7398E+00 H2 2697 1.008000 0.423800 6.0714E+00 -1.3564E+01 4.2318E-01 O6 2698 15.999400 -0.847600 -8.7196E-01 -4.9689E+00 -1.9323E+01 H1 2699 1.008000 0.423800 -4.7050E-03 -4.8860E+00 -1.8832E+01 H2 2700 1.008000 0.423800 -1.6303E+00 -4.8428E+00 -1.8684E+01 O6 2701 15.999400 -0.847600 4.7761E+00 1.5913E+01 -1.4806E+00 H1 2702 1.008000 0.423800 4.6486E+00 1.6002E+01 -2.4685E+00 H2 2703 1.008000 0.423800 5.3601E+00 1.6656E+01 -1.1520E+00 O6 2704 15.999400 -0.847600 8.0376E+00 -1.3186E+01 -3.1330E+00 H1 2705 1.008000 0.423800 8.0256E+00 -1.4020E+01 -2.5807E+00 H2 2706 1.008000 0.423800 8.6699E+00 -1.3303E+01 -3.8988E+00 O6 2707 15.999400 -0.847600 -9.8179E+00 5.2528E+00 -1.1716E+01 H1 2708 1.008000 0.423800 -8.8599E+00 5.3871E+00 -1.1462E+01 H2 2709 1.008000 0.423800 -1.0340E+01 6.0758E+00 -1.1493E+01 O6 2710 15.999400 -0.847600 -1.7819E+00 -1.5185E+01 -1.7001E+01 H1 2711 1.008000 0.423800 -1.1937E+00 -1.5971E+01 -1.7192E+01 H2 2712 1.008000 0.423800 -2.4070E+00 -1.5043E+01 -1.7769E+01 O6 2713 15.999400 -0.847600 -9.3191E+00 9.2871E+00 -7.9550E+00 H1 2714 1.008000 0.423800 -1.0265E+01 9.4796E+00 -8.2179E+00 H2 2715 1.008000 0.423800 -9.3107E+00 8.7403E+00 -7.1178E+00 O6 2716 15.999400 -0.847600 1.5826E+01 1.5232E+01 -1.4597E+00 H1 2717 1.008000 0.423800 1.6347E+01 1.5690E+01 -2.1802E+00 H2 2718 1.008000 0.423800 1.5302E+01 1.4478E+01 -1.8553E+00 O6 2719 15.999400 -0.847600 -6.6947E+00 -7.9795E-01 -3.9308E+00 H1 2720 1.008000 0.423800 -6.5206E+00 -2.7889E-02 -3.3170E+00 H2 2721 1.008000 0.423800 -5.8452E+00 -1.3039E+00 -4.0800E+00 O6 2722 15.999400 -0.847600 -1.8554E+01 -8.2571E+00 -1.1336E+01 H1 2723 1.008000 0.423800 -1.7908E+01 -7.5971E+00 -1.1719E+01 H2 2724 1.008000 0.423800 -1.9455E+01 -8.1201E+00 -1.1749E+01 O6 2725 15.999400 -0.847600 1.2596E+01 4.6960E+00 -1.5402E+01 H1 2726 1.008000 0.423800 1.1803E+01 4.1436E+00 -1.5660E+01 H2 2727 1.008000 0.423800 1.2666E+01 5.4839E+00 -1.6014E+01 O6 2728 15.999400 -0.847600 -1.5604E+01 -3.0612E+00 -9.6445E-01 H1 2729 1.008000 0.423800 -1.6162E+01 -3.7964E+00 -5.7892E-01 H2 2730 1.008000 0.423800 -1.4768E+01 -2.9589E+00 -4.2504E-01 O6 2731 15.999400 -0.847600 6.4434E+00 -1.2357E+01 -6.7808E+00 H1 2732 1.008000 0.423800 6.9639E+00 -1.1507E+01 -6.7045E+00 H2 2733 1.008000 0.423800 6.6835E+00 -1.2819E+01 -7.6344E+00 O6 2734 15.999400 -0.847600 2.9938E+00 -3.1247E+00 -9.7048E+00 H1 2735 1.008000 0.423800 2.1429E+00 -3.5451E+00 -1.0020E+01 H2 2736 1.008000 0.423800 3.2732E+00 -2.4139E+00 -1.0350E+01 O6 2737 15.999400 -0.847600 -1.2493E+01 -8.1091E+00 -1.0816E+01 H1 2738 1.008000 0.423800 -1.2597E+01 -9.0979E+00 -1.0924E+01 H2 2739 1.008000 0.423800 -1.3063E+01 -7.6389E+00 -1.1490E+01 O6 2740 15.999400 -0.847600 1.6453E+00 -1.5629E+01 5.8813E+00 H1 2741 1.008000 0.423800 2.0968E+00 -1.5557E+01 4.9918E+00 H2 2742 1.008000 0.423800 1.9654E+00 -1.6451E+01 6.3525E+00 O6 2743 15.999400 -0.847600 -1.0151E+01 1.5566E+01 1.4442E+01 H1 2744 1.008000 0.423800 -9.4203E+00 1.5436E+01 1.5112E+01 H2 2745 1.008000 0.423800 -9.7607E+00 1.5577E+01 1.3521E+01 O6 2746 15.999400 -0.847600 -1.1242E+00 -1.8063E+01 -1.4919E+01 H1 2747 1.008000 0.423800 -1.6952E+00 -1.8642E+01 -1.4337E+01 H2 2748 1.008000 0.423800 -9.8030E-01 -1.7180E+01 -1.4472E+01 O6 2749 15.999400 -0.847600 -1.8088E+00 1.7278E+01 7.7993E-01 H1 2750 1.008000 0.423800 -1.1885E+00 1.8027E+01 5.4599E-01 H2 2751 1.008000 0.423800 -1.9358E+00 1.7248E+01 1.7714E+00 O6 2752 15.999400 -0.847600 5.8493E+00 9.5539E+00 1.6070E+01 H1 2753 1.008000 0.423800 6.6316E+00 1.0173E+01 1.6004E+01 H2 2754 1.008000 0.423800 5.0993E+00 9.9031E+00 1.5508E+01 O6 2755 15.999400 -0.847600 6.9848E+00 -1.2543E+00 -7.4922E+00 H1 2756 1.008000 0.423800 6.3140E+00 -1.4918E+00 -6.7896E+00 H2 2757 1.008000 0.423800 7.5631E+00 -2.0475E+00 -7.6826E+00 O6 2758 15.999400 -0.847600 -1.1340E+01 -5.5209E+00 -1.5183E+01 H1 2759 1.008000 0.423800 -1.1936E+01 -6.3146E+00 -1.5306E+01 H2 2760 1.008000 0.423800 -1.1701E+01 -4.9441E+00 -1.4450E+01 O6 2761 15.999400 -0.847600 1.2505E+01 -3.7023E+00 5.7097E-01 H1 2762 1.008000 0.423800 1.3378E+01 -3.6211E+00 1.0525E+00 H2 2763 1.008000 0.423800 1.2484E+01 -4.5634E+00 6.2960E-02 O6 2764 15.999400 -0.847600 1.7210E+01 -1.7649E+01 -1.4842E+01 H1 2765 1.008000 0.423800 1.6676E+01 -1.6965E+01 -1.4345E+01 H2 2766 1.008000 0.423800 1.7455E+01 -1.7291E+01 -1.5743E+01 O6 2767 15.999400 -0.847600 -5.0273E-01 4.7319E+00 -1.0180E+01 H1 2768 1.008000 0.423800 -8.3063E-01 4.1414E+00 -1.0918E+01 H2 2769 1.008000 0.423800 -6.5657E-01 5.6889E+00 -1.0426E+01 O6 2770 15.999400 -0.847600 5.4711E+00 4.8444E+00 2.6943E+00 H1 2771 1.008000 0.423800 4.5534E+00 4.6992E+00 2.3244E+00 H2 2772 1.008000 0.423800 5.4359E+00 5.5442E+00 3.4078E+00 O6 2773 15.999400 -0.847600 -3.7382E+00 7.2426E+00 1.5932E+01 H1 2774 1.008000 0.423800 -3.0022E+00 7.8677E+00 1.6192E+01 H2 2775 1.008000 0.423800 -3.7330E+00 7.1160E+00 1.4940E+01 O6 2776 15.999400 -0.847600 1.2921E+01 -8.8362E+00 -3.1324E+00 H1 2777 1.008000 0.423800 1.2895E+01 -7.9157E+00 -2.7423E+00 H2 2778 1.008000 0.423800 1.3778E+01 -8.9628E+00 -3.6322E+00 O6 2779 15.999400 -0.847600 7.3161E+00 -8.1208E+00 6.6868E+00 H1 2780 1.008000 0.423800 8.0043E+00 -7.5104E+00 7.0789E+00 H2 2781 1.008000 0.423800 7.7536E+00 -8.7433E+00 6.0380E+00 O6 2782 15.999400 -0.847600 1.7135E+01 -1.7471E+01 1.4327E+01 H1 2783 1.008000 0.423800 1.6140E+01 -1.7426E+01 1.4416E+01 H2 2784 1.008000 0.423800 1.7438E+01 -1.8416E+01 1.4447E+01 O6 2785 15.999400 -0.847600 -1.4616E+00 6.3781E+00 1.4438E+01 H1 2786 1.008000 0.423800 -7.9435E-01 7.0603E+00 1.4139E+01 H2 2787 1.008000 0.423800 -2.2564E+00 6.4011E+00 1.3831E+01 O6 2788 15.999400 -0.847600 1.2201E+01 7.6502E+00 4.9527E+00 H1 2789 1.008000 0.423800 1.3000E+01 8.2425E+00 5.0605E+00 H2 2790 1.008000 0.423800 1.2306E+01 6.8417E+00 5.5318E+00 O6 2791 15.999400 -0.847600 -1.1914E+01 1.3367E+01 6.8382E+00 H1 2792 1.008000 0.423800 -1.2571E+01 1.3042E+01 6.1582E+00 H2 2793 1.008000 0.423800 -1.2405E+01 1.3739E+01 7.6257E+00 O6 2794 15.999400 -0.847600 1.2151E+00 1.7878E+00 -1.5203E+01 H1 2795 1.008000 0.423800 3.9853E-01 1.2853E+00 -1.5487E+01 H2 2796 1.008000 0.423800 1.2678E+00 1.8004E+00 -1.4204E+01 O6 2797 15.999400 -0.847600 -1.6690E+00 1.5301E+01 -9.4616E+00 H1 2798 1.008000 0.423800 -1.5619E+00 1.5375E+01 -8.4701E+00 H2 2799 1.008000 0.423800 -2.4786E+00 1.4752E+01 -9.6695E+00 O6 2800 15.999400 -0.847600 -2.5396E+00 -4.5014E+00 -1.7420E+01 H1 2801 1.008000 0.423800 -3.0085E+00 -5.0521E+00 -1.6730E+01 H2 2802 1.008000 0.423800 -3.1390E+00 -3.7580E+00 -1.7717E+01 O6 2803 15.999400 -0.847600 1.3811E+01 9.6957E+00 2.2030E+00 H1 2804 1.008000 0.423800 1.3883E+01 9.7032E+00 3.2004E+00 H2 2805 1.008000 0.423800 1.3028E+01 9.1371E+00 1.9295E+00 O6 2806 15.999400 -0.847600 6.3229E+00 1.1796E+00 -8.2305E+00 H1 2807 1.008000 0.423800 6.9289E+00 4.5314E-01 -7.9064E+00 H2 2808 1.008000 0.423800 6.2116E+00 1.8661E+00 -7.5119E+00 O6 2809 15.999400 -0.847600 -8.3224E+00 6.3457E-01 -1.2998E+01 H1 2810 1.008000 0.423800 -8.7987E+00 1.0772E+00 -1.2238E+01 H2 2811 1.008000 0.423800 -8.8358E+00 -1.7317E-01 -1.3288E+01 O6 2812 15.999400 -0.847600 -1.7838E+01 -1.7704E+00 3.3887E+00 H1 2813 1.008000 0.423800 -1.8328E+01 -2.4718E+00 2.8711E+00 H2 2814 1.008000 0.423800 -1.8490E+01 -1.0982E+00 3.7390E+00 O6 2815 15.999400 -0.847600 -1.6877E+01 1.4198E+01 -8.8419E+00 H1 2816 1.008000 0.423800 -1.5988E+01 1.3754E+01 -8.7289E+00 H2 2817 1.008000 0.423800 -1.7418E+01 1.3694E+01 -9.5144E+00 O6 2818 15.999400 -0.847600 1.1897E+01 5.6152E+00 6.6586E+00 H1 2819 1.008000 0.423800 1.1292E+01 6.1239E+00 7.2703E+00 H2 2820 1.008000 0.423800 1.2106E+01 4.7242E+00 7.0617E+00 O6 2821 15.999400 -0.847600 8.7026E+00 1.6549E+01 -3.6301E+00 H1 2822 1.008000 0.423800 9.3396E+00 1.7201E+01 -4.0408E+00 H2 2823 1.008000 0.423800 8.1956E+00 1.6078E+01 -4.3524E+00 O6 2824 15.999400 -0.847600 -5.2059E+00 4.6300E-01 -1.0097E+01 H1 2825 1.008000 0.423800 -5.4984E+00 6.4267E-01 -9.1579E+00 H2 2826 1.008000 0.423800 -5.0375E+00 -5.1596E-01 -1.0212E+01 O6 2827 15.999400 -0.847600 6.5979E+00 1.8968E+01 4.2478E+00 H1 2828 1.008000 0.423800 7.2756E+00 1.9280E+01 4.9138E+00 H2 2829 1.008000 0.423800 7.0614E+00 1.8504E+01 3.4930E+00 O6 2830 15.999400 -0.847600 -1.4005E+01 6.4804E+00 1.3963E+00 H1 2831 1.008000 0.423800 -1.4611E+01 6.7014E+00 6.3246E-01 H2 2832 1.008000 0.423800 -1.4487E+01 6.6332E+00 2.2592E+00 O6 2833 15.999400 -0.847600 -1.2200E+01 7.4294E+00 -1.1648E+00 H1 2834 1.008000 0.423800 -1.1727E+01 6.8158E+00 -5.3271E-01 H2 2835 1.008000 0.423800 -1.2052E+01 8.3772E+00 -8.8249E-01 O6 2836 15.999400 -0.847600 4.0761E+00 -1.2567E+01 9.3038E+00 H1 2837 1.008000 0.423800 4.3280E+00 -1.3332E+01 9.8963E+00 H2 2838 1.008000 0.423800 4.5298E+00 -1.2668E+01 8.4184E+00 O6 2839 15.999400 -0.847600 -1.5962E+01 -9.3777E+00 -1.6166E+01 H1 2840 1.008000 0.423800 -1.5247E+01 -9.7709E+00 -1.6744E+01 H2 2841 1.008000 0.423800 -1.6705E+01 -1.0038E+01 -1.6058E+01 O6 2842 15.999400 -0.847600 1.5714E+01 2.3504E+00 -3.8887E+00 H1 2843 1.008000 0.423800 1.4954E+01 1.7044E+00 -3.9657E+00 H2 2844 1.008000 0.423800 1.5520E+01 3.1598E+00 -4.4431E+00 O6 2845 15.999400 -0.847600 1.9203E+01 6.3924E+00 -8.0800E+00 H1 2846 1.008000 0.423800 -1.9155E+01 6.8344E+00 -7.5715E+00 H2 2847 1.008000 0.423800 1.9063E+01 6.8704E+00 -8.9471E+00 O6 2848 15.999400 -0.847600 -1.3807E+01 1.2005E+01 1.7669E+01 H1 2849 1.008000 0.423800 -1.4333E+01 1.2847E+01 1.7547E+01 H2 2850 1.008000 0.423800 -1.4279E+01 1.1248E+01 1.7217E+01 O6 2851 15.999400 -0.847600 -1.4502E+01 -7.4123E+00 -1.2527E+01 H1 2852 1.008000 0.423800 -1.5255E+01 -8.0218E+00 -1.2778E+01 H2 2853 1.008000 0.423800 -1.4872E+01 -6.5322E+00 -1.2229E+01 O6 2854 15.999400 -0.847600 -7.7987E+00 1.7131E+01 -1.6115E+00 H1 2855 1.008000 0.423800 -8.4186E+00 1.7249E+01 -8.3577E-01 H2 2856 1.008000 0.423800 -7.2741E+00 1.6288E+01 -1.4934E+00 O6 2857 15.999400 -0.847600 4.7524E+00 -1.4867E+01 1.1436E+01 H1 2858 1.008000 0.423800 4.7502E+00 -1.4567E+01 1.2390E+01 H2 2859 1.008000 0.423800 5.5571E+00 -1.5436E+01 1.1267E+01 O6 2860 15.999400 -0.847600 -2.6235E+00 -6.0305E+00 -1.3545E+01 H1 2861 1.008000 0.423800 -2.1659E+00 -5.2078E+00 -1.3883E+01 H2 2862 1.008000 0.423800 -2.1372E+00 -6.3773E+00 -1.2743E+01 O6 2863 15.999400 -0.847600 8.5966E+00 -6.7481E+00 1.6204E+01 H1 2864 1.008000 0.423800 9.2265E+00 -6.4976E+00 1.6939E+01 H2 2865 1.008000 0.423800 8.9539E+00 -6.4156E+00 1.5331E+01 O6 2866 15.999400 -0.847600 4.9958E+00 -2.8424E+00 4.6982E+00 H1 2867 1.008000 0.423800 4.7249E+00 -2.7369E+00 3.7414E+00 H2 2868 1.008000 0.423800 4.4786E+00 -2.2001E+00 5.2638E+00 O6 2869 15.999400 -0.847600 1.8133E+01 1.7636E+01 2.0930E+00 H1 2870 1.008000 0.423800 1.8977E+01 1.7825E+01 1.5901E+00 H2 2871 1.008000 0.423800 1.7693E+01 1.8499E+01 2.3416E+00 O6 2872 15.999400 -0.847600 1.2691E+01 5.8220E+00 2.7605E+00 H1 2873 1.008000 0.423800 1.2538E+01 6.7717E+00 3.0339E+00 H2 2874 1.008000 0.423800 1.1946E+01 5.2519E+00 3.1060E+00 O6 2875 15.999400 -0.847600 1.1946E+01 1.6404E+01 -1.7977E+01 H1 2876 1.008000 0.423800 1.2223E+01 1.5450E+01 -1.8092E+01 H2 2877 1.008000 0.423800 1.2060E+01 1.6671E+01 -1.7020E+01 O6 2878 15.999400 -0.847600 -8.9505E+00 -5.1946E+00 -1.6615E+01 H1 2879 1.008000 0.423800 -8.1873E+00 -4.9687E+00 -1.6010E+01 H2 2880 1.008000 0.423800 -9.8006E+00 -5.2081E+00 -1.6089E+01 O6 2881 15.999400 -0.847600 -1.0945E+01 -1.6929E+01 1.0734E+01 H1 2882 1.008000 0.423800 -1.1368E+01 -1.7658E+01 1.1272E+01 H2 2883 1.008000 0.423800 -1.1271E+01 -1.6980E+01 9.7896E+00 O6 2884 15.999400 -0.847600 -6.4103E+00 2.2780E+00 -1.6364E+01 H1 2885 1.008000 0.423800 -5.7879E+00 2.1128E+00 -1.5598E+01 H2 2886 1.008000 0.423800 -6.0218E+00 1.8894E+00 -1.7199E+01 O6 2887 15.999400 -0.847600 -2.0464E+00 9.3088E+00 -1.1860E+01 H1 2888 1.008000 0.423800 -2.0515E+00 1.0200E+01 -1.2313E+01 H2 2889 1.008000 0.423800 -2.9515E+00 8.8906E+00 -1.1937E+01 O6 2890 15.999400 -0.847600 5.8034E+00 2.3625E+00 -6.0471E-01 H1 2891 1.008000 0.423800 5.5378E+00 1.3989E+00 -6.3614E-01 H2 2892 1.008000 0.423800 6.4773E+00 2.5459E+00 -1.3204E+00 O6 2893 15.999400 -0.847600 -4.1101E+00 -1.2265E+01 -1.0372E+01 H1 2894 1.008000 0.423800 -3.8086E+00 -1.1885E+01 -1.1246E+01 H2 2895 1.008000 0.423800 -5.0678E+00 -1.2543E+01 -1.0442E+01 O6 2896 15.999400 -0.847600 -1.3744E+01 1.5590E+01 1.3771E-01 H1 2897 1.008000 0.423800 -1.4689E+01 1.5906E+01 2.1575E-01 H2 2898 1.008000 0.423800 -1.3736E+01 1.4618E+01 -9.6421E-02 O6 2899 15.999400 -0.847600 -1.0997E+01 -1.6861E+01 1.5073E+01 H1 2900 1.008000 0.423800 -1.0166E+01 -1.6595E+01 1.4584E+01 H2 2901 1.008000 0.423800 -1.0852E+01 -1.7742E+01 1.5523E+01 O6 2902 15.999400 -0.847600 -1.0859E+01 -1.3996E+01 -7.5883E+00 H1 2903 1.008000 0.423800 -1.0393E+01 -1.3978E+01 -6.7034E+00 H2 2904 1.008000 0.423800 -1.0831E+01 -1.4923E+01 -7.9608E+00 O6 2905 15.999400 -0.847600 -7.4435E+00 9.3957E+00 9.2333E+00 H1 2906 1.008000 0.423800 -8.0854E+00 8.6352E+00 9.3315E+00 H2 2907 1.008000 0.423800 -6.8185E+00 9.2086E+00 8.4755E+00 O6 2908 15.999400 -0.847600 6.8286E-01 1.9217E+01 -1.9069E+01 H1 2909 1.008000 0.423800 -2.0191E-01 -1.9451E+01 -1.9250E+01 H2 2910 1.008000 0.423800 8.4795E-01 1.9195E+01 -1.8083E+01 O6 2911 15.999400 -0.847600 1.0515E+01 -6.5594E+00 -1.0021E+01 H1 2912 1.008000 0.423800 1.0888E+01 -6.5515E+00 -9.0938E+00 H2 2913 1.008000 0.423800 1.0971E+01 -5.8583E+00 -1.0570E+01 O6 2914 15.999400 -0.847600 -1.4033E+01 4.0147E+00 1.8816E+01 H1 2915 1.008000 0.423800 -1.4797E+01 4.6409E+00 1.8660E+01 H2 2916 1.008000 0.423800 -1.4249E+01 3.1210E+00 1.8423E+01 O6 2917 15.999400 -0.847600 7.3361E+00 -3.7446E+00 -9.8415E+00 H1 2918 1.008000 0.423800 7.7351E+00 -4.3896E+00 -1.0493E+01 H2 2919 1.008000 0.423800 7.9419E+00 -3.6515E+00 -9.0514E+00 O6 2920 15.999400 -0.847600 -1.6653E+01 -1.5812E+01 1.1673E+00 H1 2921 1.008000 0.423800 -1.6957E+01 -1.4868E+01 1.0358E+00 H2 2922 1.008000 0.423800 -1.6311E+01 -1.5925E+01 2.1000E+00 O6 2923 15.999400 -0.847600 -2.1665E+00 1.7401E+01 3.5873E+00 H1 2924 1.008000 0.423800 -1.4203E+00 1.7348E+01 4.2510E+00 H2 2925 1.008000 0.423800 -2.9509E+00 1.6881E+01 3.9256E+00 O6 2926 15.999400 -0.847600 1.1511E+01 1.5253E+00 1.5634E+01 H1 2927 1.008000 0.423800 1.0854E+01 1.8996E+00 1.6289E+01 H2 2928 1.008000 0.423800 1.1159E+01 6.6631E-01 1.5263E+01 O6 2929 15.999400 -0.847600 -1.6980E+01 7.0989E+00 1.1090E+01 H1 2930 1.008000 0.423800 -1.7296E+01 6.2617E+00 1.0644E+01 H2 2931 1.008000 0.423800 -1.7215E+01 7.0684E+00 1.2062E+01 O6 2932 15.999400 -0.847600 7.9602E+00 9.8130E-01 5.0666E+00 H1 2933 1.008000 0.423800 8.0479E+00 1.7800E+00 4.4712E+00 H2 2934 1.008000 0.423800 7.5166E+00 2.3871E-01 4.5648E+00 O6 2935 15.999400 -0.847600 -2.0227E+00 1.9430E+01 1.8881E+01 H1 2936 1.008000 0.423800 -2.6317E+00 1.8812E+01 1.8383E+01 H2 2937 1.008000 0.423800 -2.4422E+00 -1.9418E+01 -1.9344E+01 O6 2938 15.999400 -0.847600 -1.7542E+01 -7.1888E+00 -1.6647E+01 H1 2939 1.008000 0.423800 -1.7123E+01 -6.3037E+00 -1.6446E+01 H2 2940 1.008000 0.423800 -1.6962E+01 -7.9212E+00 -1.6290E+01 O6 2941 15.999400 -0.847600 -3.9051E-02 -9.6475E+00 -1.5067E+01 H1 2942 1.008000 0.423800 3.3619E-03 -9.5431E+00 -1.6060E+01 H2 2943 1.008000 0.423800 -3.0804E-01 -8.7785E+00 -1.4651E+01 O6 2944 15.999400 -0.847600 1.6375E+01 2.2002E+00 -1.7035E+01 H1 2945 1.008000 0.423800 1.6675E+01 1.6784E+00 -1.6237E+01 H2 2946 1.008000 0.423800 1.7170E+01 2.6092E+00 -1.7484E+01 O6 2947 15.999400 -0.847600 1.5548E+01 2.5092E+00 7.0908E+00 H1 2948 1.008000 0.423800 1.6376E+01 2.0165E+00 7.3594E+00 H2 2949 1.008000 0.423800 1.5594E+01 2.7316E+00 6.1169E+00 O6 2950 15.999400 -0.847600 1.6480E+01 1.4674E+01 1.5058E+01 H1 2951 1.008000 0.423800 1.6259E+01 1.5582E+01 1.5413E+01 H2 2952 1.008000 0.423800 1.5683E+01 1.4296E+01 1.4587E+01 O6 2953 15.999400 -0.847600 -9.8828E-01 1.5488E-02 -1.5973E+01 H1 2954 1.008000 0.423800 -1.7163E+00 1.4065E-01 -1.6647E+01 H2 2955 1.008000 0.423800 -6.5275E-01 -9.2556E-01 -1.6015E+01 O6 2956 15.999400 -0.847600 8.6627E+00 1.0943E+01 5.7063E+00 H1 2957 1.008000 0.423800 8.1403E+00 1.1652E+01 5.2311E+00 H2 2958 1.008000 0.423800 9.3872E+00 1.0605E+01 5.1062E+00 O6 2959 15.999400 -0.847600 5.2087E+00 -1.3094E+01 -1.3982E+00 H1 2960 1.008000 0.423800 5.7784E+00 -1.2272E+01 -1.3679E+00 H2 2961 1.008000 0.423800 5.7531E+00 -1.3865E+01 -1.7281E+00 O6 2962 15.999400 -0.847600 1.6313E+01 -1.0744E+00 6.6488E+00 H1 2963 1.008000 0.423800 1.5482E+01 -1.0925E+00 7.2049E+00 H2 2964 1.008000 0.423800 1.6498E+01 -1.9919E+00 6.2972E+00 O6 2965 15.999400 -0.847600 -8.7453E+00 -1.5732E+01 -1.0039E+01 H1 2966 1.008000 0.423800 -8.2344E+00 -1.4921E+01 -9.7555E+00 H2 2967 1.008000 0.423800 -8.1243E+00 -1.6514E+01 -1.0097E+01 O6 2968 15.999400 -0.847600 5.0944E+00 -4.9244E+00 1.1471E+01 H1 2969 1.008000 0.423800 4.8277E+00 -5.3785E+00 1.0621E+01 H2 2970 1.008000 0.423800 6.0919E+00 -4.9009E+00 1.1537E+01 O6 2971 15.999400 -0.847600 1.4676E+00 1.1932E+01 1.5582E+01 H1 2972 1.008000 0.423800 8.4575E-01 1.1418E+01 1.4991E+01 H2 2973 1.008000 0.423800 1.0323E+00 1.2089E+01 1.6468E+01 O6 2974 15.999400 -0.847600 -1.3555E+01 1.6643E+01 3.4846E+00 H1 2975 1.008000 0.423800 -1.2991E+01 1.6819E+01 4.2918E+00 H2 2976 1.008000 0.423800 -1.3554E+01 1.5663E+01 3.2855E+00 O6 2977 15.999400 -0.847600 -5.5271E-01 -1.2654E+00 -3.6225E+00 H1 2978 1.008000 0.423800 -1.0014E+00 -2.1481E+00 -3.4830E+00 H2 2979 1.008000 0.423800 -6.2689E-01 -1.0022E+00 -4.5844E+00 O6 2980 15.999400 -0.847600 1.2934E+01 7.1075E-01 -6.8674E+00 H1 2981 1.008000 0.423800 1.3060E+01 5.9169E-01 -5.8825E+00 H2 2982 1.008000 0.423800 1.3827E+01 7.2404E-01 -7.3181E+00 O6 2983 15.999400 -0.847600 4.6776E+00 -1.7378E+00 -4.9992E+00 H1 2984 1.008000 0.423800 4.2519E+00 -2.3078E+00 -5.7019E+00 H2 2985 1.008000 0.423800 3.9664E+00 -1.2843E+00 -4.4620E+00 O6 2986 15.999400 -0.847600 -1.1511E+01 -1.4214E+00 1.6122E+01 H1 2987 1.008000 0.423800 -1.0607E+01 -1.6120E+00 1.5740E+01 H2 2988 1.008000 0.423800 -1.1411E+01 -9.0441E-01 1.6972E+01 O6 2989 15.999400 -0.847600 1.3326E+01 1.1191E+01 -1.2497E+00 H1 2990 1.008000 0.423800 1.3568E+01 1.1848E+01 -1.9635E+00 H2 2991 1.008000 0.423800 1.4022E+01 1.1206E+01 -5.3204E-01 O6 2992 15.999400 -0.847600 4.0720E+00 -1.7346E+01 -1.8827E+01 H1 2993 1.008000 0.423800 3.8734E+00 -1.7723E+01 1.9365E+01 H2 2994 1.008000 0.423800 4.5171E+00 -1.8044E+01 -1.8266E+01 O6 2995 15.999400 -0.847600 1.7551E+01 -1.3129E+01 -1.7712E+01 H1 2996 1.008000 0.423800 1.7089E+01 -1.3767E+01 -1.8329E+01 H2 2997 1.008000 0.423800 1.8188E+01 -1.2562E+01 -1.8234E+01 O6 2998 15.999400 -0.847600 -1.5221E+01 3.8548E+00 -8.2215E-01 H1 2999 1.008000 0.423800 -1.6047E+01 3.3237E+00 -1.0110E+00 H2 3000 1.008000 0.423800 -1.5371E+01 4.8089E+00 -1.0811E+00 O6 3001 15.999400 -0.847600 -3.8141E+00 1.9295E+01 -1.1931E+01 H1 3002 1.008000 0.423800 -4.6614E+00 1.8864E+01 -1.2241E+01 H2 3003 1.008000 0.423800 -3.5464E+00 1.8907E+01 -1.1049E+01 O6 3004 15.999400 -0.847600 9.6983E+00 1.5001E+01 1.1025E+01 H1 3005 1.008000 0.423800 9.2467E+00 1.5680E+01 1.1605E+01 H2 3006 1.008000 0.423800 1.0689E+01 1.5067E+01 1.1145E+01 O6 3007 15.999400 -0.847600 -1.0676E+00 1.1064E+00 -1.3567E+01 H1 3008 1.008000 0.423800 -1.8124E+00 8.1530E-01 -1.2967E+01 H2 3009 1.008000 0.423800 -1.2101E+00 7.2873E-01 -1.4482E+01 O6 3010 15.999400 -0.847600 -1.5977E+01 -7.7648E+00 1.4110E+01 H1 3011 1.008000 0.423800 -1.5200E+01 -7.7198E+00 1.4737E+01 H2 3012 1.008000 0.423800 -1.6829E+01 -7.7438E+00 1.4634E+01 O6 3013 15.999400 -0.847600 1.2432E+01 -1.6437E+01 -5.4951E+00 H1 3014 1.008000 0.423800 1.2724E+01 -1.7074E+01 -6.2082E+00 H2 3015 1.008000 0.423800 1.1510E+01 -1.6108E+01 -5.6994E+00 O6 3016 15.999400 -0.847600 -5.1033E-01 -1.2050E+01 1.9520E+01 H1 3017 1.008000 0.423800 -1.4977E+00 -1.2191E+01 -1.9506E+01 H2 3018 1.008000 0.423800 -3.1796E-01 -1.1416E+01 1.8771E+01 O6 3019 15.999400 -0.847600 -9.1701E+00 7.4450E+00 1.2863E+01 H1 3020 1.008000 0.423800 -9.8053E+00 8.1145E+00 1.2478E+01 H2 3021 1.008000 0.423800 -8.8973E+00 7.7339E+00 1.3781E+01 O6 3022 15.999400 -0.847600 1.4180E+01 -1.0331E+01 -1.6608E+01 H1 3023 1.008000 0.423800 1.4961E+01 -1.0927E+01 -1.6424E+01 H2 3024 1.008000 0.423800 1.3709E+01 -1.0642E+01 -1.7433E+01 O6 3025 15.999400 -0.847600 -6.1242E+00 -5.8152E+00 -5.4959E+00 H1 3026 1.008000 0.423800 -6.4214E+00 -6.6633E+00 -5.0572E+00 H2 3027 1.008000 0.423800 -6.3849E+00 -5.0361E+00 -4.9259E+00 O6 3028 15.999400 -0.847600 -9.9242E+00 -7.0532E+00 -5.2996E+00 H1 3029 1.008000 0.423800 -9.4505E+00 -6.3434E+00 -5.8209E+00 H2 3030 1.008000 0.423800 -1.0661E+01 -6.6388E+00 -4.7659E+00 O6 3031 15.999400 -0.847600 -1.6787E+01 -1.2020E+01 6.5010E+00 H1 3032 1.008000 0.423800 -1.6893E+01 -1.2459E+01 5.6089E+00 H2 3033 1.008000 0.423800 -1.6472E+01 -1.2694E+01 7.1690E+00 O6 3034 15.999400 -0.847600 7.6558E+00 1.0879E+01 -1.7835E+01 H1 3035 1.008000 0.423800 6.7316E+00 1.0853E+01 -1.8217E+01 H2 3036 1.008000 0.423800 8.0614E+00 1.1777E+01 -1.8006E+01 O6 3037 15.999400 -0.847600 2.7171E+00 -4.7306E+00 3.0422E+00 H1 3038 1.008000 0.423800 2.6368E+00 -5.0054E+00 4.0003E+00 H2 3039 1.008000 0.423800 2.3351E+00 -5.4461E+00 2.4572E+00 O6 3040 15.999400 -0.847600 -1.5309E+01 -9.4419E+00 1.2191E+01 H1 3041 1.008000 0.423800 -1.5555E+01 -8.8238E+00 1.2938E+01 H2 3042 1.008000 0.423800 -1.4827E+01 -8.9305E+00 1.1480E+01 O6 3043 15.999400 -0.847600 1.5584E+01 -1.4585E+01 2.2851E-01 H1 3044 1.008000 0.423800 1.5335E+01 -1.4055E+01 1.0391E+00 H2 3045 1.008000 0.423800 1.5380E+01 -1.4053E+01 -5.9322E-01 O6 3046 15.999400 -0.847600 6.5456E+00 -2.0631E+00 1.2572E+01 H1 3047 1.008000 0.423800 6.9119E+00 -1.4874E+00 1.3304E+01 H2 3048 1.008000 0.423800 6.0121E+00 -1.5005E+00 1.1941E+01 O6 3049 15.999400 -0.847600 3.1829E+00 -1.5169E+01 -2.7942E-01 H1 3050 1.008000 0.423800 3.8598E+00 -1.5842E+01 1.7422E-02 H2 3051 1.008000 0.423800 3.6494E+00 -1.4334E+01 -5.7120E-01 O6 3052 15.999400 -0.847600 1.7078E+01 2.1117E+00 -7.3271E+00 H1 3053 1.008000 0.423800 1.7564E+01 2.6055E+00 -8.0482E+00 H2 3054 1.008000 0.423800 1.7513E+01 2.2960E+00 -6.4457E+00 O6 3055 15.999400 -0.847600 -1.1785E+01 -2.8552E+00 -1.9199E+01 H1 3056 1.008000 0.423800 -1.1159E+01 -2.7996E+00 -1.8421E+01 H2 3057 1.008000 0.423800 -1.1626E+01 -3.7088E+00 1.9403E+01 O6 3058 15.999400 -0.847600 9.0957E+00 -1.5628E+00 3.1442E+00 H1 3059 1.008000 0.423800 9.3804E+00 -1.1323E+00 2.2877E+00 H2 3060 1.008000 0.423800 9.7165E+00 -2.3162E+00 3.3610E+00 O6 3061 15.999400 -0.847600 1.4542E+01 9.3192E+00 1.6692E+01 H1 3062 1.008000 0.423800 1.5229E+01 8.6369E+00 1.6940E+01 H2 3063 1.008000 0.423800 1.4990E+01 1.0195E+01 1.6515E+01 O6 3064 15.999400 -0.847600 -2.0589E+00 -1.5794E+01 1.9013E+01 H1 3065 1.008000 0.423800 -1.2801E+00 -1.5360E+01 1.9466E+01 H2 3066 1.008000 0.423800 -1.7289E+00 -1.6500E+01 1.8386E+01 O6 3067 15.999400 -0.847600 1.1456E+00 1.3155E+01 1.5107E+00 H1 3068 1.008000 0.423800 1.9424E+00 1.3691E+01 1.2322E+00 H2 3069 1.008000 0.423800 3.1510E-01 1.3582E+01 1.1528E+00 O6 3070 15.999400 -0.847600 -1.9526E+01 -1.8467E+01 -1.3705E+01 H1 3071 1.008000 0.423800 1.8649E+01 -1.8138E+01 -1.3910E+01 H2 3072 1.008000 0.423800 -1.8856E+01 -1.7884E+01 -1.4163E+01 O6 3073 15.999400 -0.847600 1.2045E-01 1.7737E+01 8.1764E+00 H1 3074 1.008000 0.423800 -6.5839E-01 1.7520E+01 8.7647E+00 H2 3075 1.008000 0.423800 7.4663E-01 1.8346E+01 8.6639E+00 O6 3076 15.999400 -0.847600 -2.5574E+00 -1.6802E+01 1.1822E+01 H1 3077 1.008000 0.423800 -3.3658E+00 -1.6643E+01 1.2389E+01 H2 3078 1.008000 0.423800 -1.7689E+00 -1.6341E+01 1.2230E+01 O6 3079 15.999400 -0.847600 1.5634E+01 1.4029E+01 3.8916E+00 H1 3080 1.008000 0.423800 1.5838E+01 1.4384E+01 2.9790E+00 H2 3081 1.008000 0.423800 1.6472E+01 1.3675E+01 4.3061E+00 O6 3082 15.999400 -0.847600 -1.5422E+01 -1.8212E+01 -1.7540E+00 H1 3083 1.008000 0.423800 -1.4902E+01 -1.7894E+01 -2.5467E+00 H2 3084 1.008000 0.423800 -1.4974E+01 -1.7903E+01 -9.1531E-01 O6 3085 15.999400 -0.847600 1.4367E+01 6.5460E+00 -1.0546E+00 H1 3086 1.008000 0.423800 1.3762E+01 7.2705E+00 -1.3850E+00 H2 3087 1.008000 0.423800 1.4110E+01 5.6779E+00 -1.4795E+00 O6 3088 15.999400 -0.847600 -3.7384E+00 2.6822E+00 3.8374E+00 H1 3089 1.008000 0.423800 -4.5329E+00 3.0427E+00 4.3262E+00 H2 3090 1.008000 0.423800 -3.9734E+00 1.8038E+00 3.4214E+00 O6 3091 15.999400 -0.847600 3.1279E+00 7.7433E+00 1.4036E+01 H1 3092 1.008000 0.423800 3.6501E+00 8.4853E+00 1.4457E+01 H2 3093 1.008000 0.423800 3.6681E+00 6.9021E+00 1.4057E+01 O6 3094 15.999400 -0.847600 -4.4343E+00 -5.9961E+00 5.1599E+00 H1 3095 1.008000 0.423800 -5.4323E+00 -5.9800E+00 5.0986E+00 H2 3096 1.008000 0.423800 -4.1165E+00 -6.9441E+00 5.1724E+00 O6 3097 15.999400 -0.847600 1.9042E+01 -3.1349E-01 -2.1534E+00 H1 3098 1.008000 0.423800 1.8452E+01 -1.8843E-01 -1.3554E+00 H2 3099 1.008000 0.423800 1.8503E+01 -1.9445E-01 -2.9875E+00 O6 3100 15.999400 -0.847600 1.6121E+01 -1.8355E+00 -1.8861E+01 H1 3101 1.008000 0.423800 1.7088E+01 -2.0825E+00 -1.8795E+01 H2 3102 1.008000 0.423800 1.6003E+01 -1.1374E+00 1.9530E+01 O6 3103 15.999400 -0.847600 2.7535E+00 1.1709E+01 -1.5256E+01 H1 3104 1.008000 0.423800 2.5920E+00 1.1066E+01 -1.4508E+01 H2 3105 1.008000 0.423800 3.0555E+00 1.2586E+01 -1.4883E+01 O6 3106 15.999400 -0.847600 4.2160E+00 -1.7333E+01 -5.8898E+00 H1 3107 1.008000 0.423800 4.8831E+00 -1.7486E+01 -6.6189E+00 H2 3108 1.008000 0.423800 3.3138E+00 -1.7638E+01 -6.1943E+00 O6 3109 15.999400 -0.847600 1.3166E+01 -8.9755E+00 5.1121E+00 H1 3110 1.008000 0.423800 1.2429E+01 -9.5234E+00 5.5070E+00 H2 3111 1.008000 0.423800 1.2780E+01 -8.3056E+00 4.4776E+00 O6 3112 15.999400 -0.847600 -7.1043E+00 5.4573E+00 -1.1175E+01 H1 3113 1.008000 0.423800 -7.0408E+00 4.4714E+00 -1.1330E+01 H2 3114 1.008000 0.423800 -6.6579E+00 5.9420E+00 -1.1927E+01 O6 3115 15.999400 -0.847600 1.6997E+01 1.5454E+01 -1.6413E+01 H1 3116 1.008000 0.423800 1.6945E+01 1.6349E+01 -1.5971E+01 H2 3117 1.008000 0.423800 1.7439E+01 1.5548E+01 -1.7305E+01 O6 3118 15.999400 -0.847600 4.9642E+00 1.3163E+01 -1.9184E+00 H1 3119 1.008000 0.423800 4.8395E+00 1.4147E+01 -1.7869E+00 H2 3120 1.008000 0.423800 4.0805E+00 1.2739E+01 -2.1160E+00 O6 3121 15.999400 -0.847600 3.4403E-01 3.3353E+00 -1.0282E+00 H1 3122 1.008000 0.423800 3.4307E-01 2.6766E+00 -1.7807E+00 H2 3123 1.008000 0.423800 -1.5352E-01 2.9527E+00 -2.4974E-01 O6 3124 15.999400 -0.847600 1.9138E+01 9.8526E+00 1.5944E+01 H1 3125 1.008000 0.423800 1.9281E+01 9.7625E+00 1.4959E+01 H2 3126 1.008000 0.423800 -1.9464E+01 1.0653E+01 1.6281E+01 O6 3127 15.999400 -0.847600 -8.1283E+00 -1.2511E+01 1.7729E+01 H1 3128 1.008000 0.423800 -8.5507E+00 -1.1797E+01 1.8287E+01 H2 3129 1.008000 0.423800 -8.0372E+00 -1.3347E+01 1.8270E+01 O6 3130 15.999400 -0.847600 1.3010E+01 1.5882E+01 4.9674E+00 H1 3131 1.008000 0.423800 1.3181E+01 1.5175E+01 4.2816E+00 H2 3132 1.008000 0.423800 1.2400E+01 1.6576E+01 4.5853E+00 O6 3133 15.999400 -0.847600 7.4021E+00 -6.4643E+00 1.0992E+01 H1 3134 1.008000 0.423800 8.1343E+00 -6.9964E+00 1.0567E+01 H2 3135 1.008000 0.423800 6.5566E+00 -6.5858E+00 1.0472E+01 O6 3136 15.999400 -0.847600 -6.8562E+00 -1.9483E+01 -8.3470E+00 H1 3137 1.008000 0.423800 -6.7965E+00 1.8642E+01 -8.5724E+00 H2 3138 1.008000 0.423800 -6.5524E+00 -1.9340E+01 -7.4051E+00 O6 3139 15.999400 -0.847600 2.3005E+00 -8.4720E+00 -7.8571E+00 H1 3140 1.008000 0.423800 3.1563E+00 -7.9841E+00 -7.6853E+00 H2 3141 1.008000 0.423800 1.8506E+00 -8.6723E+00 -6.9868E+00 O6 3142 15.999400 -0.847600 1.1742E+01 4.1532E-02 1.0522E+01 H1 3143 1.008000 0.423800 1.2527E+01 2.1829E-01 9.9277E+00 H2 3144 1.008000 0.423800 1.1028E+01 7.1652E-01 1.0339E+01 O6 3145 15.999400 -0.847600 -9.5005E+00 2.7231E+00 7.8654E+00 H1 3146 1.008000 0.423800 -9.7975E+00 1.7716E+00 7.7849E+00 H2 3147 1.008000 0.423800 -9.7335E+00 3.2169E+00 7.0276E+00 O6 3148 15.999400 -0.847600 -1.4143E+01 -6.4669E+00 -1.7111E+01 H1 3149 1.008000 0.423800 -1.3946E+01 -5.6330E+00 -1.7626E+01 H2 3150 1.008000 0.423800 -1.4140E+01 -7.2511E+00 -1.7731E+01 O6 3151 15.999400 -0.847600 -2.4597E-01 -1.6039E+01 -4.7858E+00 H1 3152 1.008000 0.423800 -2.8763E-02 -1.6401E+01 -3.8793E+00 H2 3153 1.008000 0.423800 -2.9224E-01 -1.5041E+01 -4.7438E+00 O6 3154 15.999400 -0.847600 -2.6412E+00 -1.6933E+01 1.5559E+00 H1 3155 1.008000 0.423800 -2.7481E+00 -1.6171E+01 2.1936E+00 H2 3156 1.008000 0.423800 -3.5012E+00 -1.7440E+01 1.4952E+00 O6 3157 15.999400 -0.847600 2.3618E+00 3.6440E+00 7.1252E+00 H1 3158 1.008000 0.423800 2.5371E+00 3.9157E+00 6.1788E+00 H2 3159 1.008000 0.423800 2.7409E+00 2.7328E+00 7.2860E+00 O6 3160 15.999400 -0.847600 -3.3668E+00 1.1959E+01 4.0069E+00 H1 3161 1.008000 0.423800 -3.5005E+00 1.2410E+01 3.1244E+00 H2 3162 1.008000 0.423800 -2.7167E+00 1.2486E+01 4.5549E+00 O6 3163 15.999400 -0.847600 -1.8217E+01 -1.9131E+00 -7.4563E-01 H1 3164 1.008000 0.423800 -1.8381E+01 -9.3012E-01 -8.3042E-01 H2 3165 1.008000 0.423800 -1.7233E+01 -2.0900E+00 -7.6170E-01 O6 3166 15.999400 -0.847600 -9.6127E-01 -9.5872E+00 -8.0646E+00 H1 3167 1.008000 0.423800 -6.9714E-01 -1.0042E+01 -7.2141E+00 H2 3168 1.008000 0.423800 -1.4160E-01 -9.3685E+00 -8.5941E+00 O6 3169 15.999400 -0.847600 -3.0992E+00 5.6710E+00 8.5184E-01 H1 3170 1.008000 0.423800 -3.1293E+00 6.4501E+00 2.2561E-01 H2 3171 1.008000 0.423800 -3.6679E+00 4.9316E+00 4.9143E-01 O6 3172 15.999400 -0.847600 8.6849E+00 -1.1929E+00 -2.1140E+00 H1 3173 1.008000 0.423800 8.0169E+00 -1.5150E+00 -2.7849E+00 H2 3174 1.008000 0.423800 9.2104E+00 -4.3653E-01 -2.5036E+00 O6 3175 15.999400 -0.847600 8.7771E+00 2.8438E+00 -9.9486E+00 H1 3176 1.008000 0.423800 8.3710E+00 3.3864E+00 -9.2133E+00 H2 3177 1.008000 0.423800 8.0822E+00 2.2411E+00 -1.0341E+01 O6 3178 15.999400 -0.847600 1.9381E+01 1.0736E+01 -1.2864E+01 H1 3179 1.008000 0.423800 1.8504E+01 1.0610E+01 -1.2399E+01 H2 3180 1.008000 0.423800 -1.9040E+01 1.1076E+01 -1.2211E+01 O6 3181 15.999400 -0.847600 -1.6037E+01 -5.4895E+00 -8.9207E+00 H1 3182 1.008000 0.423800 -1.6724E+01 -4.9741E+00 -8.4077E+00 H2 3183 1.008000 0.423800 -1.5923E+01 -6.3936E+00 -8.5090E+00 O6 3184 15.999400 -0.847600 1.0967E+01 1.2036E+01 2.9821E-01 H1 3185 1.008000 0.423800 1.1724E+01 1.1460E+01 -1.0814E-02 H2 3186 1.008000 0.423800 1.0780E+01 1.1850E+01 1.2629E+00 O6 3187 15.999400 -0.847600 1.5621E+01 1.4780E+01 6.7208E+00 H1 3188 1.008000 0.423800 1.4704E+01 1.5001E+01 7.0546E+00 H2 3189 1.008000 0.423800 1.5610E+01 1.4735E+01 5.7219E+00 O6 3190 15.999400 -0.847600 -1.7392E+01 -1.3588E+01 -1.9477E+01 H1 3191 1.008000 0.423800 -1.6849E+01 -1.3435E+01 1.8795E+01 H2 3192 1.008000 0.423800 -1.6846E+01 -1.4089E+01 -1.8807E+01 O6 3193 15.999400 -0.847600 -1.8056E+01 -1.6063E+01 9.6831E+00 H1 3194 1.008000 0.423800 -1.8242E+01 -1.7045E+01 9.7160E+00 H2 3195 1.008000 0.423800 -1.7977E+01 -1.5771E+01 8.7301E+00 O6 3196 15.999400 -0.847600 1.0996E+01 1.8045E-01 1.3163E+01 H1 3197 1.008000 0.423800 1.1478E+01 3.3087E-02 1.2298E+01 H2 3198 1.008000 0.423800 1.1097E+01 -6.2832E-01 1.3742E+01 O6 3199 15.999400 -0.847600 6.7999E+00 -1.1029E+01 9.3340E+00 H1 3200 1.008000 0.423800 6.5339E+00 -1.1992E+01 9.3054E+00 H2 3201 1.008000 0.423800 7.5519E+00 -1.0871E+01 8.6939E+00 O6 3202 15.999400 -0.847600 1.0058E+01 -1.4720E+01 -1.9106E+01 H1 3203 1.008000 0.423800 9.3987E+00 -1.5200E+01 -1.8526E+01 H2 3204 1.008000 0.423800 1.0645E+01 -1.5386E+01 1.9533E+01 O6 3205 15.999400 -0.847600 -1.8428E+01 2.9206E+00 1.7781E+01 H1 3206 1.008000 0.423800 -1.8720E+01 2.0704E+00 1.8219E+01 H2 3207 1.008000 0.423800 -1.7990E+01 2.7117E+00 1.6907E+01 O6 3208 15.999400 -0.847600 2.5848E-01 1.1064E+01 5.3173E+00 H1 3209 1.008000 0.423800 -2.0768E-02 1.0414E+01 4.6104E+00 H2 3210 1.008000 0.423800 2.8123E-01 1.1986E+01 4.9318E+00 O6 3211 15.999400 -0.847600 -1.4072E+01 -1.7711E+01 -3.9292E+00 H1 3212 1.008000 0.423800 -1.3078E+01 -1.7737E+01 -4.0344E+00 H2 3213 1.008000 0.423800 -1.4504E+01 -1.8074E+01 -4.7546E+00 O6 3214 15.999400 -0.847600 1.8411E+01 -8.5897E+00 -4.2079E+00 H1 3215 1.008000 0.423800 1.9048E+01 -8.7089E+00 -3.4466E+00 H2 3216 1.008000 0.423800 1.7628E+01 -9.1994E+00 -4.0853E+00 O6 3217 15.999400 -0.847600 -1.3409E+01 -1.9150E+00 4.0974E+00 H1 3218 1.008000 0.423800 -1.3952E+01 -1.9908E+00 4.9336E+00 H2 3219 1.008000 0.423800 -1.2617E+01 -2.5220E+00 4.1586E+00 O6 3220 15.999400 -0.847600 5.4335E+00 1.4170E+01 1.8722E+00 H1 3221 1.008000 0.423800 6.3706E+00 1.4454E+01 2.0753E+00 H2 3222 1.008000 0.423800 5.4483E+00 1.3417E+01 1.2138E+00 O6 3223 15.999400 -0.847600 -1.6758E+01 -1.3192E+01 -8.3153E+00 H1 3224 1.008000 0.423800 -1.5824E+01 -1.3299E+01 -7.9746E+00 H2 3225 1.008000 0.423800 -1.6892E+01 -1.2251E+01 -8.6275E+00 O6 3226 15.999400 -0.847600 8.3284E+00 1.4635E+01 8.1763E+00 H1 3227 1.008000 0.423800 8.6103E+00 1.3696E+01 7.9819E+00 H2 3228 1.008000 0.423800 8.7944E+00 1.4959E+01 8.9995E+00 O6 3229 15.999400 -0.847600 1.1424E+01 -3.6353E+00 -1.5197E+01 H1 3230 1.008000 0.423800 1.2229E+01 -4.0313E+00 -1.5640E+01 H2 3231 1.008000 0.423800 1.1060E+01 -4.2817E+00 -1.4527E+01 O6 3232 15.999400 -0.847600 -1.7285E+01 -2.5894E+00 1.2827E+01 H1 3233 1.008000 0.423800 -1.7699E+01 -2.2994E+00 1.3690E+01 H2 3234 1.008000 0.423800 -1.6501E+01 -3.1811E+00 1.3015E+01 O6 3235 15.999400 -0.847600 1.4603E+01 8.3790E+00 -3.9081E+00 H1 3236 1.008000 0.423800 1.4145E+01 8.5903E+00 -3.0445E+00 H2 3237 1.008000 0.423800 1.4909E+01 9.2277E+00 -4.3392E+00 O6 3238 15.999400 -0.847600 -1.6768E+01 1.8695E+01 -2.5946E+00 H1 3239 1.008000 0.423800 -1.6206E+01 1.9516E+01 -2.4873E+00 H2 3240 1.008000 0.423800 -1.7732E+01 1.8933E+01 -2.4756E+00 O6 3241 15.999400 -0.847600 1.6449E+01 1.0433E+01 -1.2218E+01 H1 3242 1.008000 0.423800 1.6503E+01 9.7366E+00 -1.1503E+01 H2 3243 1.008000 0.423800 1.5679E+01 1.0230E+01 -1.2824E+01 O6 3244 15.999400 -0.847600 -1.4609E+01 -1.7607E+01 -1.6309E+01 H1 3245 1.008000 0.423800 -1.5529E+01 -1.7561E+01 -1.6699E+01 H2 3246 1.008000 0.423800 -1.4671E+01 -1.7661E+01 -1.5313E+01 O6 3247 15.999400 -0.847600 -2.7492E+00 -1.2370E+01 9.9662E+00 H1 3248 1.008000 0.423800 -3.0055E+00 -1.3296E+01 9.6889E+00 H2 3249 1.008000 0.423800 -2.0226E+00 -1.2416E+01 1.0652E+01 O6 3250 15.999400 -0.847600 -2.4870E+00 5.3492E+00 4.0101E+00 H1 3251 1.008000 0.423800 -2.8527E+00 4.4361E+00 3.8299E+00 H2 3252 1.008000 0.423800 -2.3675E+00 5.8369E+00 3.1453E+00 O6 3253 15.999400 -0.847600 1.8548E+01 -1.8924E+01 -6.1073E+00 H1 3254 1.008000 0.423800 1.8842E+01 1.9298E+01 -5.7242E+00 H2 3255 1.008000 0.423800 1.9196E+01 -1.8210E+01 -5.8423E+00 O6 3256 15.999400 -0.847600 1.9285E+01 3.1709E+00 1.0676E+01 H1 3257 1.008000 0.423800 -1.9028E+01 2.6726E+00 1.1044E+01 H2 3258 1.008000 0.423800 1.9408E+01 3.3075E+00 9.6930E+00 O6 3259 15.999400 -0.847600 -6.9446E+00 1.0889E+01 1.8990E+01 H1 3260 1.008000 0.423800 -6.6521E+00 1.1121E+01 1.8062E+01 H2 3261 1.008000 0.423800 -7.9365E+00 1.0993E+01 1.9063E+01 O6 3262 15.999400 -0.847600 -6.5380E+00 -1.4662E+01 1.2175E+01 H1 3263 1.008000 0.423800 -7.1729E+00 -1.3945E+01 1.2463E+01 H2 3264 1.008000 0.423800 -7.0452E+00 -1.5507E+01 1.2002E+01 O6 3265 15.999400 -0.847600 -4.1171E+00 -5.4735E-01 -5.5988E+00 H1 3266 1.008000 0.423800 -4.2159E+00 -1.5000E+00 -5.3113E+00 H2 3267 1.008000 0.423800 -4.0172E+00 3.5476E-02 -4.7924E+00 O6 3268 15.999400 -0.847600 1.4446E+01 -8.1731E+00 8.6677E+00 H1 3269 1.008000 0.423800 1.4996E+01 -7.9102E+00 7.8745E+00 H2 3270 1.008000 0.423800 1.5049E+01 -8.4817E+00 9.4033E+00 O6 3271 15.999400 -0.847600 -4.8867E+00 -5.2487E+00 -1.5900E+01 H1 3272 1.008000 0.423800 -5.5694E+00 -4.6029E+00 -1.5558E+01 H2 3273 1.008000 0.423800 -4.8279E+00 -6.0310E+00 -1.5280E+01 O6 3274 15.999400 -0.847600 -4.8039E-01 -1.0161E+01 1.4766E+01 H1 3275 1.008000 0.423800 -1.3056E+00 -1.0241E+01 1.4207E+01 H2 3276 1.008000 0.423800 -4.9383E-01 -9.2906E+00 1.5258E+01 O6 3277 15.999400 -0.847600 8.7818E+00 1.9530E+01 -1.5026E+01 H1 3278 1.008000 0.423800 8.7872E+00 1.9343E+01 -1.4043E+01 H2 3279 1.008000 0.423800 9.4917E+00 -1.8897E+01 -1.5241E+01 O6 3280 15.999400 -0.847600 -6.3310E+00 8.0315E-01 -7.5723E+00 H1 3281 1.008000 0.423800 -5.9205E+00 3.8716E-01 -6.7608E+00 H2 3282 1.008000 0.423800 -7.3258E+00 8.1868E-01 -7.4718E+00 O6 3283 15.999400 -0.847600 -1.4753E+01 4.9308E+00 8.8705E+00 H1 3284 1.008000 0.423800 -1.3805E+01 4.6355E+00 8.9876E+00 H2 3285 1.008000 0.423800 -1.4834E+01 5.4656E+00 8.0294E+00 O6 3286 15.999400 -0.847600 1.8235E+01 -4.3134E+00 1.7905E+01 H1 3287 1.008000 0.423800 1.8347E+01 -3.6742E+00 1.7144E+01 H2 3288 1.008000 0.423800 1.9127E+01 -4.6867E+00 1.8161E+01 O6 3289 15.999400 -0.847600 -4.1163E+00 -1.5573E+01 5.0652E+00 H1 3290 1.008000 0.423800 -4.8587E+00 -1.4918E+01 5.2050E+00 H2 3291 1.008000 0.423800 -3.8554E+00 -1.5973E+01 5.9435E+00 O6 3292 15.999400 -0.847600 5.5456E+00 5.2368E+00 -1.7750E+01 H1 3293 1.008000 0.423800 5.6113E+00 4.2664E+00 -1.7983E+01 H2 3294 1.008000 0.423800 6.4497E+00 5.5805E+00 -1.7496E+01 O6 3295 15.999400 -0.847600 -8.7298E+00 8.0782E+00 1.5483E+01 H1 3296 1.008000 0.423800 -7.7781E+00 8.3056E+00 1.5690E+01 H2 3297 1.008000 0.423800 -9.2978E+00 8.8946E+00 1.5588E+01 O6 3298 15.999400 -0.847600 -1.1786E+01 -6.2145E+00 -9.6936E-01 H1 3299 1.008000 0.423800 -1.2193E+01 -6.9755E+00 -4.6365E-01 H2 3300 1.008000 0.423800 -1.0801E+01 -6.3625E+00 -1.0595E+00 O6 3301 15.999400 -0.847600 -9.6247E+00 -7.8574E+00 -1.3739E+01 H1 3302 1.008000 0.423800 -1.0034E+01 -8.0424E+00 -1.4633E+01 H2 3303 1.008000 0.423800 -9.7475E+00 -8.6527E+00 -1.3146E+01 O6 3304 15.999400 -0.847600 -1.6901E+01 -9.5481E+00 2.7187E+00 H1 3305 1.008000 0.423800 -1.6589E+01 -9.2702E+00 1.8104E+00 H2 3306 1.008000 0.423800 -1.6713E+01 -1.0521E+01 2.8525E+00 O6 3307 15.999400 -0.847600 8.5359E+00 6.4410E+00 5.5476E+00 H1 3308 1.008000 0.423800 9.4584E+00 6.7591E+00 5.7664E+00 H2 3309 1.008000 0.423800 7.8836E+00 6.8433E+00 6.1900E+00 O6 3310 15.999400 -0.847600 -1.3346E+01 2.0288E+00 1.1626E+01 H1 3311 1.008000 0.423800 -1.2753E+01 1.7260E+00 1.2372E+01 H2 3312 1.008000 0.423800 -1.2813E+01 2.5674E+00 1.0974E+01 O6 3313 15.999400 -0.847600 9.7769E+00 1.2109E+01 1.1791E+01 H1 3314 1.008000 0.423800 9.6415E+00 1.3092E+01 1.1668E+01 H2 3315 1.008000 0.423800 8.8887E+00 1.1650E+01 1.1807E+01 O6 3316 15.999400 -0.847600 -1.0084E+01 -7.2382E+00 8.1655E+00 H1 3317 1.008000 0.423800 -1.0709E+01 -6.8065E+00 7.5152E+00 H2 3318 1.008000 0.423800 -1.0232E+01 -6.8522E+00 9.0761E+00 O6 3319 15.999400 -0.847600 -7.4669E-03 -1.7015E+01 -1.7528E+01 H1 3320 1.008000 0.423800 5.4048E-01 -1.7784E+01 -1.7198E+01 H2 3321 1.008000 0.423800 5.7060E-01 -1.6400E+01 -1.8063E+01 O6 3322 15.999400 -0.847600 -3.3786E+00 -6.4760E+00 -9.0137E+00 H1 3323 1.008000 0.423800 -3.9104E+00 -6.5474E+00 -9.8575E+00 H2 3324 1.008000 0.423800 -3.5906E+00 -7.2519E+00 -8.4195E+00 O6 3325 15.999400 -0.847600 1.2483E+01 -1.7485E+00 -1.3468E+01 H1 3326 1.008000 0.423800 1.1895E+01 -1.6801E+00 -1.2662E+01 H2 3327 1.008000 0.423800 1.1986E+01 -2.2086E+00 -1.4204E+01 O6 3328 15.999400 -0.847600 -1.4680E+01 1.3979E+01 -1.4890E+01 H1 3329 1.008000 0.423800 -1.4360E+01 1.3201E+01 -1.4349E+01 H2 3330 1.008000 0.423800 -1.4238E+01 1.3966E+01 -1.5787E+01 O6 3331 15.999400 -0.847600 1.2070E+00 -1.8170E+00 1.8060E+01 H1 3332 1.008000 0.423800 1.8426E+00 -1.9710E+00 1.7303E+01 H2 3333 1.008000 0.423800 2.6921E-01 -1.9514E+00 1.7740E+01 O6 3334 15.999400 -0.847600 3.5649E+00 -3.1400E+00 1.2912E+01 H1 3335 1.008000 0.423800 4.3347E+00 -2.6635E+00 1.3337E+01 H2 3336 1.008000 0.423800 3.8783E+00 -4.0134E+00 1.2540E+01 O6 3337 15.999400 -0.847600 2.6442E+00 -6.5844E+00 1.3847E+01 H1 3338 1.008000 0.423800 1.6650E+00 -6.6035E+00 1.3645E+01 H2 3339 1.008000 0.423800 2.8374E+00 -7.1908E+00 1.4619E+01 O6 3340 15.999400 -0.847600 6.4292E+00 -2.8929E+00 -1.4363E+01 H1 3341 1.008000 0.423800 6.2409E+00 -3.8637E+00 -1.4214E+01 H2 3342 1.008000 0.423800 7.2665E+00 -2.7943E+00 -1.4901E+01 O6 3343 15.999400 -0.847600 1.1423E+01 -1.2252E+01 -4.8344E+00 H1 3344 1.008000 0.423800 1.2267E+01 -1.2731E+01 -4.5943E+00 H2 3345 1.008000 0.423800 1.1601E+01 -1.1618E+01 -5.5868E+00 O6 3346 15.999400 -0.847600 5.9924E+00 -7.5972E+00 -1.2805E+00 H1 3347 1.008000 0.423800 5.7725E+00 -7.4755E+00 -3.1260E-01 H2 3348 1.008000 0.423800 5.4541E+00 -6.9562E+00 -1.8277E+00 O6 3349 15.999400 -0.847600 -1.0576E+01 -1.6560E+01 -8.0862E+00 H1 3350 1.008000 0.423800 -1.0076E+01 -1.6371E+01 -8.9316E+00 H2 3351 1.008000 0.423800 -1.0025E+01 -1.7152E+01 -7.4983E+00 O6 3352 15.999400 -0.847600 8.1216E+00 1.4514E+01 2.0680E+00 H1 3353 1.008000 0.423800 8.8983E+00 1.4713E+01 2.6657E+00 H2 3354 1.008000 0.423800 8.2599E+00 1.4959E+01 1.1829E+00 O6 3355 15.999400 -0.847600 1.0377E+01 -5.7878E+00 -1.3671E+01 H1 3356 1.008000 0.423800 1.1036E+01 -6.4523E+00 -1.3318E+01 H2 3357 1.008000 0.423800 9.5142E+00 -5.8769E+00 -1.3174E+01 O6 3358 15.999400 -0.847600 9.8746E+00 7.1422E+00 -1.2576E+01 H1 3359 1.008000 0.423800 9.5553E+00 6.3348E+00 -1.3073E+01 H2 3360 1.008000 0.423800 9.1843E+00 7.4168E+00 -1.1907E+01 O6 3361 15.999400 -0.847600 1.2852E+01 9.8201E+00 -1.8272E+01 H1 3362 1.008000 0.423800 1.3132E+01 8.9998E+00 -1.8771E+01 H2 3363 1.008000 0.423800 1.1969E+01 1.0136E+01 -1.8619E+01 O6 3364 15.999400 -0.847600 1.2385E+01 1.6287E+01 -1.2501E+01 H1 3365 1.008000 0.423800 1.2921E+01 1.5637E+01 -1.3040E+01 H2 3366 1.008000 0.423800 1.1506E+01 1.5875E+01 -1.2260E+01 O6 3367 15.999400 -0.847600 5.4202E+00 -6.8803E+00 4.9715E+00 H1 3368 1.008000 0.423800 6.0515E+00 -7.2997E+00 5.6238E+00 H2 3369 1.008000 0.423800 5.9271E+00 -6.2712E+00 4.3616E+00 O6 3370 15.999400 -0.847600 1.1933E+01 -3.0414E+00 -4.6598E+00 H1 3371 1.008000 0.423800 1.2364E+01 -2.6271E+00 -3.8581E+00 H2 3372 1.008000 0.423800 1.1249E+01 -2.4138E+00 -5.0323E+00 O6 3373 15.999400 -0.847600 1.0623E+01 5.8348E+00 -1.6658E+00 H1 3374 1.008000 0.423800 1.0334E+01 6.7861E+00 -1.7747E+00 H2 3375 1.008000 0.423800 1.0202E+01 5.4511E+00 -8.4380E-01 O6 3376 15.999400 -0.847600 -1.2305E+01 4.7279E+00 1.6625E+01 H1 3377 1.008000 0.423800 -1.2944E+01 4.8384E+00 1.7386E+01 H2 3378 1.008000 0.423800 -1.1408E+01 5.0843E+00 1.6887E+01 O6 3379 15.999400 -0.847600 1.0634E+01 4.6720E+00 4.2105E+00 H1 3380 1.008000 0.423800 1.0812E+01 5.1159E+00 5.0887E+00 H2 3381 1.008000 0.423800 9.6539E+00 4.7047E+00 4.0129E+00 O6 3382 15.999400 -0.847600 -5.7982E+00 1.4710E+00 6.4043E+00 H1 3383 1.008000 0.423800 -5.4149E+00 1.7512E+00 7.2845E+00 H2 3384 1.008000 0.423800 -5.9427E+00 2.2780E+00 5.8317E+00 O6 3385 15.999400 -0.847600 -1.3142E+01 -3.0496E+00 1.1803E+01 H1 3386 1.008000 0.423800 -1.2309E+01 -3.2360E+00 1.2324E+01 H2 3387 1.008000 0.423800 -1.3490E+01 -2.1436E+00 1.2044E+01 O6 3388 15.999400 -0.847600 1.6449E+01 -1.1411E+01 -1.6073E+01 H1 3389 1.008000 0.423800 1.6836E+01 -1.2110E+01 -1.6675E+01 H2 3390 1.008000 0.423800 1.6224E+01 -1.1819E+01 -1.5189E+01 O6 3391 15.999400 -0.847600 -9.5212E+00 8.9095E+00 1.4966E+00 H1 3392 1.008000 0.423800 -9.1238E+00 8.1775E+00 9.4313E-01 H2 3393 1.008000 0.423800 -9.1315E+00 9.7872E+00 1.2177E+00 O6 3394 15.999400 -0.847600 -1.5501E+01 1.3533E+01 7.2598E+00 H1 3395 1.008000 0.423800 -1.5972E+01 1.4392E+01 7.0606E+00 H2 3396 1.008000 0.423800 -1.4987E+01 1.3625E+01 8.1130E+00 O6 3397 15.999400 -0.847600 -1.1639E+01 -3.8538E+00 9.3003E+00 H1 3398 1.008000 0.423800 -1.2118E+01 -3.1881E+00 9.8720E+00 H2 3399 1.008000 0.423800 -1.1680E+01 -4.7550E+00 9.7316E+00 O6 3400 15.999400 -0.847600 -1.4053E+01 3.4422E+00 -8.8881E+00 H1 3401 1.008000 0.423800 -1.3755E+01 3.5235E+00 -9.8391E+00 H2 3402 1.008000 0.423800 -1.3532E+01 4.0790E+00 -8.3199E+00 O6 3403 15.999400 -0.847600 4.6229E+00 -1.9284E+01 -1.6545E+01 H1 3404 1.008000 0.423800 4.2540E+00 1.8897E+01 -1.6391E+01 H2 3405 1.008000 0.423800 4.2974E+00 -1.8668E+01 -1.5828E+01 O6 3406 15.999400 -0.847600 1.8198E+01 1.9211E+01 -1.7466E+01 H1 3407 1.008000 0.423800 1.7809E+01 -1.8971E+01 -1.7360E+01 H2 3408 1.008000 0.423800 1.9143E+01 1.9211E+01 -1.7138E+01 O6 3409 15.999400 -0.847600 -1.9219E+01 -9.4356E+00 3.8535E+00 H1 3410 1.008000 0.423800 -1.8266E+01 -9.4149E+00 3.5508E+00 H2 3411 1.008000 0.423800 -1.9441E+01 -8.5763E+00 4.3143E+00 O6 3412 15.999400 -0.847600 7.6561E+00 -1.3900E+01 9.3858E+00 H1 3413 1.008000 0.423800 8.6534E+00 -1.3860E+01 9.4471E+00 H2 3414 1.008000 0.423800 7.3307E+00 -1.4749E+01 9.8012E+00 O6 3415 15.999400 -0.847600 -3.5509E+00 5.5986E+00 1.9065E+01 H1 3416 1.008000 0.423800 -2.8204E+00 5.3211E+00 1.8441E+01 H2 3417 1.008000 0.423800 -4.4274E+00 5.2585E+00 1.8724E+01 O6 3418 15.999400 -0.847600 -1.8249E+01 1.4734E+01 -4.5384E+00 H1 3419 1.008000 0.423800 -1.7415E+01 1.5043E+01 -4.0813E+00 H2 3420 1.008000 0.423800 -1.8983E+01 1.4641E+01 -3.8655E+00 O6 3421 15.999400 -0.847600 1.4347E+01 -7.6542E+00 1.6974E+01 H1 3422 1.008000 0.423800 1.5319E+01 -7.8852E+00 1.6973E+01 H2 3423 1.008000 0.423800 1.4025E+01 -7.5700E+00 1.7917E+01 O6 3424 15.999400 -0.847600 1.6401E+01 7.2159E+00 1.7506E+01 H1 3425 1.008000 0.423800 1.6257E+01 6.9267E+00 1.8452E+01 H2 3426 1.008000 0.423800 1.7382E+01 7.2937E+00 1.7327E+01 O6 3427 15.999400 -0.847600 -1.9069E+01 -7.1776E+00 -8.8206E+00 H1 3428 1.008000 0.423800 -1.8919E+01 -7.7420E+00 -9.6324E+00 H2 3429 1.008000 0.423800 -1.9002E+01 -6.2114E+00 -9.0695E+00 O6 3430 15.999400 -0.847600 -6.9533E+00 -8.2241E+00 -7.7893E-01 H1 3431 1.008000 0.423800 -6.5392E+00 -8.9042E+00 -1.3840E+00 H2 3432 1.008000 0.423800 -6.3379E+00 -7.4413E+00 -6.8688E-01 O6 3433 15.999400 -0.847600 -1.5026E+01 8.9427E+00 -1.3352E+01 H1 3434 1.008000 0.423800 -1.4304E+01 8.5421E+00 -1.3915E+01 H2 3435 1.008000 0.423800 -1.5784E+01 9.2307E+00 -1.3937E+01 O6 3436 15.999400 -0.847600 7.1370E+00 -1.8550E+01 -1.6917E+01 H1 3437 1.008000 0.423800 6.1515E+00 -1.8698E+01 -1.6836E+01 H2 3438 1.008000 0.423800 7.6175E+00 -1.9136E+01 -1.6266E+01 O6 3439 15.999400 -0.847600 -7.6022E+00 1.5226E+01 1.5799E+01 H1 3440 1.008000 0.423800 -7.0087E+00 1.4931E+01 1.6548E+01 H2 3441 1.008000 0.423800 -7.1844E+00 1.4978E+01 1.4925E+01 O6 3442 15.999400 -0.847600 -1.2409E+01 3.8901E+00 -1.7859E+01 H1 3443 1.008000 0.423800 -1.3224E+01 3.8250E+00 -1.8435E+01 H2 3444 1.008000 0.423800 -1.1848E+01 4.6602E+00 -1.8162E+01 O6 3445 15.999400 -0.847600 -1.7769E+01 -3.0239E-02 -1.0087E+01 H1 3446 1.008000 0.423800 -1.7684E+01 -2.2710E-01 -1.1064E+01 H2 3447 1.008000 0.423800 -1.6878E+01 2.4270E-01 -9.7236E+00 O6 3448 15.999400 -0.847600 -1.8552E+01 6.5751E+00 8.1639E+00 H1 3449 1.008000 0.423800 -1.8252E+01 5.6756E+00 8.4807E+00 H2 3450 1.008000 0.423800 -1.9334E+01 6.4679E+00 7.5493E+00 O6 3451 15.999400 -0.847600 -1.3433E+01 -1.4463E+01 -1.1831E+01 H1 3452 1.008000 0.423800 -1.2554E+01 -1.4936E+01 -1.1775E+01 H2 3453 1.008000 0.423800 -1.3917E+01 -1.4555E+01 -1.0961E+01 O6 3454 15.999400 -0.847600 5.1161E+00 1.9510E+01 8.4057E+00 H1 3455 1.008000 0.423800 4.5966E+00 1.9285E+01 9.2302E+00 H2 3456 1.008000 0.423800 5.9591E+00 1.8973E+01 8.3860E+00 O6 3457 15.999400 -0.847600 -1.6541E+01 7.8438E+00 -1.1000E+01 H1 3458 1.008000 0.423800 -1.6154E+01 8.1254E+00 -1.1878E+01 H2 3459 1.008000 0.423800 -1.6520E+01 6.8464E+00 -1.0931E+01 O6 3460 15.999400 -0.847600 -6.6641E+00 -1.0016E+01 5.7905E+00 H1 3461 1.008000 0.423800 -7.4045E+00 -9.8849E+00 6.4499E+00 H2 3462 1.008000 0.423800 -6.9340E+00 -9.6344E+00 4.9063E+00 O6 3463 15.999400 -0.847600 1.0115E+01 2.6141E+00 1.6209E+00 H1 3464 1.008000 0.423800 1.0742E+01 2.4771E+00 2.3877E+00 H2 3465 1.008000 0.423800 9.1771E+00 2.4471E+00 1.9237E+00 O6 3466 15.999400 -0.847600 -1.9141E+01 -2.0022E+00 -1.4684E+01 H1 3467 1.008000 0.423800 1.9153E+01 -2.5831E+00 -1.4810E+01 H2 3468 1.008000 0.423800 -1.9227E+01 -1.1854E+00 -1.5254E+01 O6 3469 15.999400 -0.847600 -6.0506E+00 4.2338E+00 1.8548E+01 H1 3470 1.008000 0.423800 -6.4783E+00 4.5898E+00 1.7717E+01 H2 3471 1.008000 0.423800 -6.6701E+00 4.3612E+00 1.9322E+01 O6 3472 15.999400 -0.847600 -4.7491E+00 2.8015E+00 1.5534E-01 H1 3473 1.008000 0.423800 -5.2498E+00 3.2994E+00 8.6345E-01 H2 3474 1.008000 0.423800 -5.3184E+00 2.0577E+00 -1.9478E-01 O6 3475 15.999400 -0.847600 -6.1538E-01 1.0320E+01 -1.9360E+01 H1 3476 1.008000 0.423800 -2.4701E-01 9.3946E+00 -1.9274E+01 H2 3477 1.008000 0.423800 -1.4479E+00 1.0400E+01 -1.8812E+01 O6 3478 15.999400 -0.847600 -1.2266E+01 -5.6524E+00 1.4530E+01 H1 3479 1.008000 0.423800 -1.2433E+01 -6.3570E+00 1.3840E+01 H2 3480 1.008000 0.423800 -1.1625E+01 -4.9759E+00 1.4168E+01 O6 3481 15.999400 -0.847600 -4.7141E+00 -1.9370E+01 -1.5493E+01 H1 3482 1.008000 0.423800 -5.5503E+00 1.9376E+01 -1.5914E+01 H2 3483 1.008000 0.423800 -4.0874E+00 1.8969E+01 -1.5313E+01 O6 3484 15.999400 -0.847600 -1.8485E+01 -1.0730E+01 1.3957E+01 H1 3485 1.008000 0.423800 -1.7542E+01 -1.0906E+01 1.4241E+01 H2 3486 1.008000 0.423800 -1.9111E+01 -1.1027E+01 1.4678E+01 O6 3487 15.999400 -0.847600 -1.0382E+01 1.7403E+01 4.5502E+00 H1 3488 1.008000 0.423800 -9.4504E+00 1.7702E+01 4.3432E+00 H2 3489 1.008000 0.423800 -1.0388E+01 1.6911E+01 5.4206E+00 O6 3490 15.999400 -0.847600 -1.8212E+01 1.3903E+01 2.0378E+00 H1 3491 1.008000 0.423800 -1.7606E+01 1.3152E+01 1.7766E+00 H2 3492 1.008000 0.423800 -1.8178E+01 1.4030E+01 3.0291E+00 O6 3493 15.999400 -0.847600 1.7560E+01 -1.8539E+01 -1.9530E+00 H1 3494 1.008000 0.423800 1.7134E+01 -1.9251E+01 -2.5108E+00 H2 3495 1.008000 0.423800 1.7115E+01 -1.8506E+01 -1.0580E+00 O6 3496 15.999400 -0.847600 -9.4308E+00 1.1049E+01 -1.9375E+01 H1 3497 1.008000 0.423800 -1.0305E+01 1.0645E+01 -1.9105E+01 H2 3498 1.008000 0.423800 -9.4950E+00 1.2046E+01 -1.9323E+01 O6 3499 15.999400 -0.847600 -1.5320E+01 1.1660E+01 -1.1270E+01 H1 3500 1.008000 0.423800 -1.5795E+01 1.1272E+01 -1.0480E+01 H2 3501 1.008000 0.423800 -1.5948E+01 1.2247E+01 -1.1781E+01 O6 3502 15.999400 -0.847600 -6.4740E+00 -1.5315E+01 -1.2292E+01 H1 3503 1.008000 0.423800 -5.7754E+00 -1.5586E+01 -1.2955E+01 H2 3504 1.008000 0.423800 -7.3793E+00 -1.5542E+01 -1.2651E+01 O6 3505 15.999400 -0.847600 6.6453E+00 -1.1815E+01 1.5827E+01 H1 3506 1.008000 0.423800 6.3938E+00 -1.1335E+01 1.4986E+01 H2 3507 1.008000 0.423800 7.2077E+00 -1.2610E+01 1.5600E+01 O6 3508 15.999400 -0.847600 1.9395E+01 1.7605E+01 9.7388E+00 H1 3509 1.008000 0.423800 1.8957E+01 1.7569E+01 1.0637E+01 H2 3510 1.008000 0.423800 1.8701E+01 1.7770E+01 9.0370E+00 O6 3511 15.999400 -0.847600 -2.6133E+00 -3.2499E+00 3.4055E+00 H1 3512 1.008000 0.423800 -2.4634E+00 -4.1929E+00 3.1083E+00 H2 3513 1.008000 0.423800 -1.7861E+00 -2.7129E+00 3.2404E+00 O6 3514 15.999400 -0.847600 1.4997E+01 -1.2107E+00 2.8141E+00 H1 3515 1.008000 0.423800 1.4171E+01 -6.7559E-01 2.9903E+00 H2 3516 1.008000 0.423800 1.4782E+01 -2.1854E+00 2.8736E+00 O6 3517 15.999400 -0.847600 6.2649E+00 3.2162E+00 -6.2499E+00 H1 3518 1.008000 0.423800 5.6200E+00 3.8162E+00 -5.7765E+00 H2 3519 1.008000 0.423800 7.1884E+00 3.3794E+00 -5.9027E+00 O6 3520 15.999400 -0.847600 1.8789E+01 -5.9363E-01 1.0498E+01 H1 3521 1.008000 0.423800 -1.9376E+01 -7.2825E-01 1.0835E+01 H2 3522 1.008000 0.423800 1.8137E+01 -8.3480E-01 1.1217E+01 O6 3523 15.999400 -0.847600 -1.1895E+01 8.4353E+00 1.6110E+01 H1 3524 1.008000 0.423800 -1.1663E+01 8.5248E+00 1.5141E+01 H2 3525 1.008000 0.423800 -1.2831E+01 8.7539E+00 1.6259E+01 O6 3526 15.999400 -0.847600 -1.7076E+01 1.3213E+01 -1.2610E+01 H1 3527 1.008000 0.423800 -1.7500E+01 1.3261E+01 -1.3514E+01 H2 3528 1.008000 0.423800 -1.6511E+01 1.4025E+01 -1.2464E+01 O6 3529 15.999400 -0.847600 5.8562E+00 3.0002E+00 -1.8928E+01 H1 3530 1.008000 0.423800 5.3545E+00 2.8122E+00 1.9325E+01 H2 3531 1.008000 0.423800 6.1873E+00 2.1407E+00 -1.8539E+01 O6 3532 15.999400 -0.847600 5.2789E+00 -8.9903E+00 8.3723E+00 H1 3533 1.008000 0.423800 5.8392E+00 -8.5906E+00 7.6468E+00 H2 3534 1.008000 0.423800 5.7576E+00 -9.7729E+00 8.7702E+00 O6 3535 15.999400 -0.847600 -6.1035E+00 1.1012E+01 4.7698E+00 H1 3536 1.008000 0.423800 -5.1641E+00 1.1352E+01 4.7269E+00 H2 3537 1.008000 0.423800 -6.5468E+00 1.1360E+01 5.5957E+00 O6 3538 15.999400 -0.847600 -1.0132E+01 -1.2160E+01 -1.3519E+00 H1 3539 1.008000 0.423800 -9.8343E+00 -1.1608E+01 -5.7320E-01 H2 3540 1.008000 0.423800 -1.0895E+01 -1.1705E+01 -1.8111E+00 O6 3541 15.999400 -0.847600 1.0099E+01 9.1979E+00 4.2908E+00 H1 3542 1.008000 0.423800 1.1010E+01 8.8881E+00 4.5645E+00 H2 3543 1.008000 0.423800 9.6964E+00 8.5337E+00 3.6610E+00 O6 3544 15.999400 -0.847600 -4.9336E+00 1.4581E+01 -1.5523E+01 H1 3545 1.008000 0.423800 -5.8053E+00 1.4337E+01 -1.5948E+01 H2 3546 1.008000 0.423800 -4.2681E+00 1.3853E+01 -1.5685E+01 O6 3547 15.999400 -0.847600 1.0832E+01 1.7477E+01 3.6974E+00 H1 3548 1.008000 0.423800 1.0622E+01 1.6513E+01 3.8618E+00 H2 3549 1.008000 0.423800 1.0103E+01 1.7888E+01 3.1490E+00 O6 3550 15.999400 -0.847600 1.2613E+00 -8.2106E+00 6.0660E+00 H1 3551 1.008000 0.423800 1.9447E+00 -8.8368E+00 6.4412E+00 H2 3552 1.008000 0.423800 1.6759E+00 -7.3120E+00 5.9224E+00 O6 3553 15.999400 -0.847600 -3.8558E+00 -1.0212E+01 1.7169E+01 H1 3554 1.008000 0.423800 -3.0850E+00 -1.0050E+01 1.6553E+01 H2 3555 1.008000 0.423800 -4.0711E+00 -9.3699E+00 1.7663E+01 O6 3556 15.999400 -0.847600 -3.7559E+00 1.5519E+01 9.8520E+00 H1 3557 1.008000 0.423800 -3.0863E+00 1.6066E+01 1.0354E+01 H2 3558 1.008000 0.423800 -3.2793E+00 1.4848E+01 9.2839E+00 O6 3559 15.999400 -0.847600 1.1901E+01 -2.6396E+00 1.7625E+01 H1 3560 1.008000 0.423800 1.0924E+01 -2.8406E+00 1.7687E+01 H2 3561 1.008000 0.423800 1.2122E+01 -2.3455E+00 1.6695E+01 O6 3562 15.999400 -0.847600 -8.7676E+00 -5.1653E+00 1.4545E+00 H1 3563 1.008000 0.423800 -9.2540E+00 -5.9614E+00 1.8147E+00 H2 3564 1.008000 0.423800 -7.8118E+00 -5.1985E+00 1.7468E+00 O6 3565 15.999400 -0.847600 -4.8120E+00 1.2826E+01 1.0685E+01 H1 3566 1.008000 0.423800 -5.7745E+00 1.2575E+01 1.0788E+01 H2 3567 1.008000 0.423800 -4.7071E+00 1.3810E+01 1.0825E+01 O6 3568 15.999400 -0.847600 1.0398E+01 8.2158E+00 -1.7085E+01 H1 3569 1.008000 0.423800 1.0655E+01 8.4529E+00 -1.6148E+01 H2 3570 1.008000 0.423800 9.4103E+00 8.0681E+00 -1.7132E+01 O6 3571 15.999400 -0.847600 1.9304E+01 -1.1738E+00 -7.7053E+00 H1 3572 1.008000 0.423800 -1.8956E+01 -1.1055E+00 -8.2472E+00 H2 3573 1.008000 0.423800 1.9270E+01 -2.0660E+00 -7.2552E+00 O6 3574 15.999400 -0.847600 -8.9784E+00 -7.4818E+00 -1.8104E+01 H1 3575 1.008000 0.423800 -9.0478E+00 -8.2720E+00 -1.7495E+01 H2 3576 1.008000 0.423800 -8.9860E+00 -6.6415E+00 -1.7562E+01 O6 3577 15.999400 -0.847600 -8.4789E+00 -1.1377E+01 9.6305E+00 H1 3578 1.008000 0.423800 -9.0518E+00 -1.2117E+01 9.2776E+00 H2 3579 1.008000 0.423800 -7.5322E+00 -1.1692E+01 9.6983E+00 O6 3580 15.999400 -0.847600 -1.3091E+01 -3.9375E+00 6.1049E-02 H1 3581 1.008000 0.423800 -1.2437E+01 -3.8680E+00 8.1422E-01 H2 3582 1.008000 0.423800 -1.2748E+01 -4.5848E+00 -6.1961E-01 O6 3583 15.999400 -0.847600 -1.1798E+01 -1.2379E+00 -1.4829E+01 H1 3584 1.008000 0.423800 -1.1208E+01 -1.1579E+00 -1.5633E+01 H2 3585 1.008000 0.423800 -1.1825E+01 -3.6227E-01 -1.4346E+01 O6 3586 15.999400 -0.847600 -5.1772E-01 -1.6565E+00 1.0039E-01 H1 3587 1.008000 0.423800 -3.6831E-01 -1.5200E+00 1.0797E+00 H2 3588 1.008000 0.423800 3.4731E-01 -1.5413E+00 -3.8792E-01 O6 3589 15.999400 -0.847600 9.4752E+00 1.4268E+00 9.6472E+00 H1 3590 1.008000 0.423800 9.3206E+00 1.8447E+00 1.0542E+01 H2 3591 1.008000 0.423800 8.5987E+00 1.1529E+00 9.2515E+00 O6 3592 15.999400 -0.847600 1.5960E+01 -4.3728E+00 1.9403E+01 H1 3593 1.008000 0.423800 1.6893E+01 -4.3421E+00 1.9043E+01 H2 3594 1.008000 0.423800 1.5741E+01 -3.4981E+00 -1.9262E+01 O6 3595 15.999400 -0.847600 -9.1618E+00 -9.6315E+00 1.1211E-01 H1 3596 1.008000 0.423800 -8.3711E+00 -9.0745E+00 -1.4172E-01 H2 3597 1.008000 0.423800 -9.9301E+00 -9.0342E+00 3.4246E-01 O6 3598 15.999400 -0.847600 -1.1866E+01 -1.7819E+01 -1.2581E+01 H1 3599 1.008000 0.423800 -1.1672E+01 -1.6854E+01 -1.2404E+01 H2 3600 1.008000 0.423800 -1.2098E+01 -1.8275E+01 -1.1722E+01 O6 3601 15.999400 -0.847600 1.7360E+01 1.2784E+01 -4.1162E+00 H1 3602 1.008000 0.423800 1.7672E+01 1.2081E+01 -4.7555E+00 H2 3603 1.008000 0.423800 1.7626E+01 1.2531E+01 -3.1863E+00 O6 3604 15.999400 -0.847600 -1.6983E+01 1.0173E+01 -1.5666E+01 H1 3605 1.008000 0.423800 -1.7493E+01 9.6396E+00 -1.6341E+01 H2 3606 1.008000 0.423800 -1.7567E+01 1.0900E+01 -1.5305E+01 O6 3607 15.999400 -0.847600 1.0953E+01 8.9834E-01 -9.6307E+00 H1 3608 1.008000 0.423800 1.1897E+01 1.1179E+00 -9.8770E+00 H2 3609 1.008000 0.423800 1.0343E+01 1.6106E+00 -9.9787E+00 O6 3610 15.999400 -0.847600 1.9078E+01 8.1413E+00 -2.0790E+00 H1 3611 1.008000 0.423800 1.8340E+01 7.9247E+00 -2.7185E+00 H2 3612 1.008000 0.423800 1.9349E+01 9.0967E+00 -2.1948E+00 O6 3613 15.999400 -0.847600 -1.5630E+01 1.1003E+01 3.6585E+00 H1 3614 1.008000 0.423800 -1.5431E+01 1.0881E+01 2.6861E+00 H2 3615 1.008000 0.423800 -1.6533E+01 1.1419E+01 3.7641E+00 O6 3616 15.999400 -0.847600 -1.0015E+01 1.5379E+01 -5.9023E+00 H1 3617 1.008000 0.423800 -9.8402E+00 1.4399E+01 -5.9998E+00 H2 3618 1.008000 0.423800 -9.8297E+00 1.5659E+01 -4.9601E+00 O6 3619 15.999400 -0.847600 -1.9812E+00 -1.7496E+01 -6.1881E+00 H1 3620 1.008000 0.423800 -1.8040E+00 -1.7671E+01 -7.1567E+00 H2 3621 1.008000 0.423800 -1.2582E+00 -1.6913E+01 -5.8171E+00 O6 3622 15.999400 -0.847600 1.9328E+01 -1.7491E+01 1.9396E+01 H1 3623 1.008000 0.423800 1.9517E+01 -1.8358E+01 1.8934E+01 H2 3624 1.008000 0.423800 -1.9458E+01 -1.6734E+01 1.8822E+01 O6 3625 15.999400 -0.847600 8.2021E+00 -1.6120E+01 -1.3293E+01 H1 3626 1.008000 0.423800 8.5291E+00 -1.6273E+01 -1.4226E+01 H2 3627 1.008000 0.423800 7.5310E+00 -1.6822E+01 -1.3056E+01 O6 3628 15.999400 -0.847600 -5.6941E+00 -1.4321E+01 1.3053E+00 H1 3629 1.008000 0.423800 -4.7906E+00 -1.4324E+01 1.7338E+00 H2 3630 1.008000 0.423800 -6.2950E+00 -1.4957E+01 1.7903E+00 O6 3631 15.999400 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1.7436E+01 H2 3648 1.008000 0.423800 5.7307E+00 -8.0196E+00 1.7074E+01 O6 3649 15.999400 -0.847600 -1.6653E+01 1.6307E+01 -1.6846E+00 H1 3650 1.008000 0.423800 -1.6579E+01 1.7252E+01 -2.0018E+00 H2 3651 1.008000 0.423800 -1.6649E+01 1.6289E+01 -6.8477E-01 O6 3652 15.999400 -0.847600 -8.7264E+00 1.7250E+01 1.7035E+01 H1 3653 1.008000 0.423800 -9.2403E+00 1.6831E+01 1.7784E+01 H2 3654 1.008000 0.423800 -8.2686E+00 1.6536E+01 1.6505E+01 O6 3655 15.999400 -0.847600 -7.9825E+00 -1.5328E+01 1.7705E+01 H1 3656 1.008000 0.423800 -7.1490E+00 -1.5384E+01 1.7156E+01 H2 3657 1.008000 0.423800 -8.0234E+00 -1.6109E+01 1.8329E+01 O6 3658 15.999400 -0.847600 1.4305E+01 1.9096E+01 1.1618E+01 H1 3659 1.008000 0.423800 1.4078E+01 1.8596E+01 1.2455E+01 H2 3660 1.008000 0.423800 1.4971E+01 1.8572E+01 1.1088E+01 O6 3661 15.999400 -0.847600 7.6487E+00 -1.6417E+01 1.6402E+01 H1 3662 1.008000 0.423800 7.5157E+00 -1.7365E+01 1.6116E+01 H2 3663 1.008000 0.423800 6.9767E+00 -1.6183E+01 1.7105E+01 O6 3664 15.999400 -0.847600 2.1152E+00 5.7441E+00 -1.1588E+01 H1 3665 1.008000 0.423800 1.7485E+00 6.3197E+00 -1.2319E+01 H2 3666 1.008000 0.423800 1.3608E+00 5.3642E+00 -1.1053E+01 O6 3667 15.999400 -0.847600 -1.3380E+01 -8.2761E+00 -1.9140E+01 H1 3668 1.008000 0.423800 -1.2442E+01 -7.9452E+00 -1.9037E+01 H2 3669 1.008000 0.423800 -1.3811E+01 -7.8209E+00 1.9179E+01 O6 3670 15.999400 -0.847600 9.1415E+00 8.6746E+00 1.2012E+01 H1 3671 1.008000 0.423800 1.0003E+01 8.9262E+00 1.2452E+01 H2 3672 1.008000 0.423800 8.8794E+00 9.3873E+00 1.1361E+01 O6 3673 15.999400 -0.847600 8.6381E+00 1.7099E+01 -1.6127E+01 H1 3674 1.008000 0.423800 8.6227E+00 1.8042E+01 -1.5794E+01 H2 3675 1.008000 0.423800 8.7701E+00 1.7098E+01 -1.7118E+01 O6 3676 15.999400 -0.847600 -1.9454E+01 -5.1118E-01 5.0659E+00 H1 3677 1.008000 0.423800 -1.9013E+01 1.4103E-01 5.6821E+00 H2 3678 1.008000 0.423800 1.8733E+01 -1.7626E-01 4.8229E+00 O6 3679 15.999400 -0.847600 -1.4837E+01 1.8418E+01 -1.4781E+01 H1 3680 1.008000 0.423800 -1.4088E+01 1.7770E+01 -1.4648E+01 H2 3681 1.008000 0.423800 -1.4757E+01 1.9161E+01 -1.4116E+01 O6 3682 15.999400 -0.847600 -1.6030E+01 -7.1973E+00 8.3770E+00 H1 3683 1.008000 0.423800 -1.5523E+01 -7.4742E+00 9.1934E+00 H2 3684 1.008000 0.423800 -1.6479E+01 -7.9960E+00 7.9771E+00 O6 3685 15.999400 -0.847600 -6.6949E+00 9.2347E-01 -1.7772E+00 H1 3686 1.008000 0.423800 -7.2768E+00 4.7511E-01 -1.0986E+00 H2 3687 1.008000 0.423800 -7.0946E+00 1.8049E+00 -2.0286E+00 O6 3688 15.999400 -0.847600 -3.3249E+00 9.3222E+00 2.2156E+00 H1 3689 1.008000 0.423800 -2.3844E+00 9.1453E+00 2.5057E+00 H2 3690 1.008000 0.423800 -3.4302E+00 1.0293E+01 2.0000E+00 O6 3691 15.999400 -0.847600 -1.5598E+01 -2.8552E+00 2.3969E+00 H1 3692 1.008000 0.423800 -1.4769E+01 -2.4698E+00 2.8022E+00 H2 3693 1.008000 0.423800 -1.6398E+01 -2.5178E+00 2.8918E+00 O6 3694 15.999400 -0.847600 6.4911E-02 -1.3980E+01 -1.5447E+01 H1 3695 1.008000 0.423800 -7.6329E-01 -1.4272E+01 -1.5925E+01 H2 3696 1.008000 0.423800 7.5126E-01 -1.4705E+01 -1.5496E+01 O6 3697 15.999400 -0.847600 5.3133E+00 3.5522E+00 5.8836E+00 H1 3698 1.008000 0.423800 4.8509E+00 2.6836E+00 5.7053E+00 H2 3699 1.008000 0.423800 6.1679E+00 3.3804E+00 6.3737E+00 O6 3700 15.999400 -0.847600 -1.3772E+01 -2.0044E-02 -5.9573E+00 H1 3701 1.008000 0.423800 -1.4595E+01 5.3467E-01 -6.0844E+00 H2 3702 1.008000 0.423800 -1.3105E+01 4.9227E-01 -5.4167E+00 O6 3703 15.999400 -0.847600 -8.6164E+00 -1.5961E+01 1.4476E+01 H1 3704 1.008000 0.423800 -7.7117E+00 -1.6153E+01 1.4856E+01 H2 3705 1.008000 0.423800 -8.8949E+00 -1.5035E+01 1.4731E+01 O6 3706 15.999400 -0.847600 -1.6614E+01 -1.4652E+01 -1.5405E+01 H1 3707 1.008000 0.423800 -1.7444E+01 -1.4283E+01 -1.4986E+01 H2 3708 1.008000 0.423800 -1.6818E+01 -1.4955E+01 -1.6336E+01 O6 3709 15.999400 -0.847600 -1.4244E+01 1.3754E+01 1.2560E+01 H1 3710 1.008000 0.423800 -1.4430E+01 1.4514E+01 1.1937E+01 H2 3711 1.008000 0.423800 -1.4049E+01 1.4111E+01 1.3473E+01 O6 3712 15.999400 -0.847600 1.7004E+00 1.9459E+01 9.4146E+00 H1 3713 1.008000 0.423800 2.5252E+00 1.9421E+01 9.9787E+00 H2 3714 1.008000 0.423800 1.1260E+00 -1.8877E+01 9.7160E+00 O6 3715 15.999400 -0.847600 -1.3487E+01 1.8125E+01 7.2632E+00 H1 3716 1.008000 0.423800 -1.3845E+01 1.8057E+01 8.1945E+00 H2 3717 1.008000 0.423800 -1.4115E+01 1.7670E+01 6.6311E+00 O6 3718 15.999400 -0.847600 2.2025E+00 1.5880E+01 9.4572E+00 H1 3719 1.008000 0.423800 1.7606E+00 1.5167E+01 8.9121E+00 H2 3720 1.008000 0.423800 2.3074E+00 1.6706E+01 8.9037E+00 O6 3721 15.999400 -0.847600 1.9031E+01 -1.6669E+01 -8.6288E+00 H1 3722 1.008000 0.423800 1.8199E+01 -1.7192E+01 -8.8114E+00 H2 3723 1.008000 0.423800 1.9506E+01 -1.6487E+01 -9.4899E+00 O6 3724 15.999400 -0.847600 6.0182E-02 -4.7199E+00 -1.2736E+00 H1 3725 1.008000 0.423800 2.2493E-01 -4.5054E+00 -2.2363E+00 H2 3726 1.008000 0.423800 -7.4523E-01 -4.2207E+00 -9.5406E-01 O6 3727 15.999400 -0.847600 -4.1602E+00 1.7463E+01 1.8496E+01 H1 3728 1.008000 0.423800 -4.6139E+00 1.7600E+01 1.7615E+01 H2 3729 1.008000 0.423800 -3.9551E+00 1.6491E+01 1.8617E+01 O6 3730 15.999400 -0.847600 3.0440E+00 4.7805E+00 -1.6355E+01 H1 3731 1.008000 0.423800 3.1198E+00 4.4610E+00 -1.5410E+01 H2 3732 1.008000 0.423800 3.8925E+00 5.2379E+00 -1.6621E+01 O6 3733 15.999400 -0.847600 -7.4380E+00 1.4918E+01 4.7024E+00 H1 3734 1.008000 0.423800 -7.0208E+00 1.4880E+01 3.7943E+00 H2 3735 1.008000 0.423800 -6.8249E+00 1.5396E+01 5.3311E+00 O6 3736 15.999400 -0.847600 9.3052E+00 4.9727E+00 9.6151E+00 H1 3737 1.008000 0.423800 8.8449E+00 5.4141E+00 1.0385E+01 H2 3738 1.008000 0.423800 9.6877E+00 5.6714E+00 9.0105E+00 O6 3739 15.999400 -0.847600 6.4235E+00 -3.9621E+00 6.5398E-01 H1 3740 1.008000 0.423800 7.4210E+00 -3.9552E+00 7.2489E-01 H2 3741 1.008000 0.423800 6.1577E+00 -4.1788E+00 -2.8537E-01 O6 3742 15.999400 -0.847600 4.1453E+00 -1.9146E+01 2.8436E+00 H1 3743 1.008000 0.423800 4.9979E+00 -1.9394E+01 3.3037E+00 H2 3744 1.008000 0.423800 3.6189E+00 1.9123E+01 2.6489E+00 O6 3745 15.999400 -0.847600 -1.5537E+01 -1.6043E+01 3.6607E+00 H1 3746 1.008000 0.423800 -1.5243E+01 -1.6972E+01 3.8852E+00 H2 3747 1.008000 0.423800 -1.4940E+01 -1.5384E+01 4.1192E+00 O6 3748 15.999400 -0.847600 4.1890E+00 -1.7084E+01 -8.5842E+00 H1 3749 1.008000 0.423800 3.9077E+00 -1.6131E+01 -8.6954E+00 H2 3750 1.008000 0.423800 3.9619E+00 -1.7598E+01 -9.4118E+00 O6 3751 15.999400 -0.847600 -4.8013E+00 1.7647E+01 8.6718E+00 H1 3752 1.008000 0.423800 -5.2174E+00 1.8358E+01 9.2391E+00 H2 3753 1.008000 0.423800 -4.3823E+00 1.6955E+01 9.2592E+00 O6 3754 15.999400 -0.847600 8.0461E+00 9.3665E+00 -1.5351E+01 H1 3755 1.008000 0.423800 7.6735E+00 9.6800E+00 -1.6224E+01 H2 3756 1.008000 0.423800 7.6710E+00 8.4655E+00 -1.5132E+01 O6 3757 15.999400 -0.847600 -1.3955E+01 -1.0623E+01 1.6119E+01 H1 3758 1.008000 0.423800 -1.4584E+01 -1.0727E+01 1.6889E+01 H2 3759 1.008000 0.423800 -1.3634E+01 -9.6773E+00 1.6077E+01 O6 3760 15.999400 -0.847600 -1.4951E+01 -1.8777E+01 -6.3934E+00 H1 3761 1.008000 0.423800 -1.5246E+01 1.9424E+01 -6.0610E+00 H2 3762 1.008000 0.423800 -1.5718E+01 -1.8320E+01 -6.8448E+00 O6 3763 15.999400 -0.847600 -7.9946E+00 -1.6501E+01 -1.5740E+01 H1 3764 1.008000 0.423800 -7.6109E+00 -1.7332E+01 -1.5338E+01 H2 3765 1.008000 0.423800 -7.3034E+00 -1.6057E+01 -1.6311E+01 O6 3766 15.999400 -0.847600 9.8311E+00 9.8046E-01 -3.1599E+00 H1 3767 1.008000 0.423800 9.9468E+00 4.3167E-01 -3.9879E+00 H2 3768 1.008000 0.423800 1.0729E+01 1.2365E+00 -2.8016E+00 O6 3769 15.999400 -0.847600 -7.3000E-01 9.9127E+00 -1.1249E+00 H1 3770 1.008000 0.423800 -1.7020E+00 9.7650E+00 -9.4190E-01 H2 3771 1.008000 0.423800 -2.4184E-01 9.0427E+00 -1.0551E+00 O6 3772 15.999400 -0.847600 -9.9384E+00 -1.1505E+00 -1.7032E+01 H1 3773 1.008000 0.423800 -9.0763E+00 -1.5301E+00 -1.6696E+01 H2 3774 1.008000 0.423800 -9.8496E+00 -1.5958E-01 -1.7132E+01 O6 3775 15.999400 -0.847600 -8.5323E+00 5.9581E+00 -6.5477E+00 H1 3776 1.008000 0.423800 -8.0017E+00 5.7823E+00 -5.7185E+00 H2 3777 1.008000 0.423800 -8.1280E+00 5.4590E+00 -7.3141E+00 O6 3778 15.999400 -0.847600 3.2850E+00 -1.1280E+01 1.6986E+01 H1 3779 1.008000 0.423800 3.5982E+00 -1.0810E+01 1.6161E+01 H2 3780 1.008000 0.423800 3.8517E+00 -1.1004E+01 1.7762E+01 O6 3781 15.999400 -0.847600 -5.9934E+00 -1.4480E+01 -1.3888E+00 H1 3782 1.008000 0.423800 -5.0300E+00 -1.4415E+01 -1.6488E+00 H2 3783 1.008000 0.423800 -6.0706E+00 -1.4475E+01 -3.9177E-01 O6 3784 15.999400 -0.847600 -9.9985E+00 -2.2458E+00 -6.4571E+00 H1 3785 1.008000 0.423800 -9.5938E+00 -2.9399E+00 -7.0526E+00 H2 3786 1.008000 0.423800 -1.0910E+01 -2.0087E+00 -6.7932E+00 O6 3787 15.999400 -0.847600 1.6365E+01 1.8330E+01 -3.1255E+00 H1 3788 1.008000 0.423800 1.5614E+01 1.8265E+01 -2.4685E+00 H2 3789 1.008000 0.423800 1.6598E+01 1.7415E+01 -3.4562E+00 O6 3790 15.999400 -0.847600 -6.4323E+00 6.2611E+00 1.3702E+01 H1 3791 1.008000 0.423800 -6.9495E+00 5.7678E+00 1.3003E+01 H2 3792 1.008000 0.423800 -6.2845E+00 7.2041E+00 1.3405E+01 O6 3793 15.999400 -0.847600 -1.4008E+01 -1.5692E+00 1.4771E+01 H1 3794 1.008000 0.423800 -1.3104E+01 -1.4109E+00 1.5169E+01 H2 3795 1.008000 0.423800 -1.4493E+01 -6.9856E-01 1.4689E+01 O6 3796 15.999400 -0.847600 3.3454E+00 5.7436E+00 -1.9459E+01 H1 3797 1.008000 0.423800 2.7360E+00 4.9568E+00 1.9541E+01 H2 3798 1.008000 0.423800 4.0548E+00 5.5345E+00 -1.8786E+01 O6 3799 15.999400 -0.847600 3.4644E+00 9.1876E-01 7.3471E+00 H1 3800 1.008000 0.423800 3.5702E+00 1.7113E-01 6.6914E+00 H2 3801 1.008000 0.423800 2.9474E+00 5.9606E-01 8.1399E+00 O6 3802 15.999400 -0.847600 1.9074E+01 -6.7061E+00 -1.5600E+01 H1 3803 1.008000 0.423800 1.8857E+01 -7.6372E+00 -1.5306E+01 H2 3804 1.008000 0.423800 -1.9254E+01 -6.7284E+00 -1.6238E+01 O6 3805 15.999400 -0.847600 2.7065E+00 5.0945E+00 1.7470E+00 H1 3806 1.008000 0.423800 2.6181E+00 5.2735E+00 7.6716E-01 H2 3807 1.008000 0.423800 2.0352E+00 4.4062E+00 2.0219E+00 O6 3808 15.999400 -0.847600 -1.3705E+01 -1.1991E+01 -1.3204E+01 H1 3809 1.008000 0.423800 -1.3548E+01 -1.2864E+01 -1.2742E+01 H2 3810 1.008000 0.423800 -1.4189E+01 -1.2150E+01 -1.4064E+01 O6 3811 15.999400 -0.847600 3.6526E+00 1.4480E+01 -1.0585E+01 H1 3812 1.008000 0.423800 4.3378E+00 1.3752E+01 -1.0599E+01 H2 3813 1.008000 0.423800 3.1406E+00 1.4439E+01 -9.7266E+00 O6 3814 15.999400 -0.847600 -1.5304E+01 -1.5187E+01 7.3096E+00 H1 3815 1.008000 0.423800 -1.5417E+01 -1.4458E+01 7.9845E+00 H2 3816 1.008000 0.423800 -1.6192E+01 -1.5604E+01 7.1178E+00 O6 3817 15.999400 -0.847600 -6.4200E+00 -1.9503E+01 9.9572E+00 H1 3818 1.008000 0.423800 -6.6272E+00 -1.8687E+01 1.0497E+01 H2 3819 1.008000 0.423800 -7.2072E+00 1.8978E+01 9.9696E+00 O6 3820 15.999400 -0.847600 -1.4873E+01 1.7575E+00 8.8921E+00 H1 3821 1.008000 0.423800 -1.4761E+01 2.7150E+00 9.1575E+00 H2 3822 1.008000 0.423800 -1.4059E+01 1.4502E+00 8.4003E+00 O6 3823 15.999400 -0.847600 1.6758E+01 -5.1436E+00 1.2334E+01 H1 3824 1.008000 0.423800 1.6549E+01 -5.2275E+00 1.1360E+01 H2 3825 1.008000 0.423800 1.5916E+01 -4.9565E+00 1.2841E+01 O6 3826 15.999400 -0.847600 -3.4388E-01 -1.9029E+01 4.5606E+00 H1 3827 1.008000 0.423800 -1.9121E-01 1.9180E+01 4.9925E+00 H2 3828 1.008000 0.423800 -1.2795E+00 -1.8984E+01 4.2104E+00 O6 3829 15.999400 -0.847600 -4.7868E+00 2.3524E+00 8.6973E+00 H1 3830 1.008000 0.423800 -4.1180E+00 2.7783E+00 9.3067E+00 H2 3831 1.008000 0.423800 -5.6912E+00 2.3811E+00 9.1230E+00 O6 3832 15.999400 -0.847600 -1.7462E+01 4.3253E+00 9.6737E+00 H1 3833 1.008000 0.423800 -1.6519E+01 4.4903E+00 9.3860E+00 H2 3834 1.008000 0.423800 -1.7474E+01 3.6382E+00 1.0400E+01 O6 3835 15.999400 -0.847600 4.7090E+00 3.4907E+00 -8.9067E+00 H1 3836 1.008000 0.423800 5.3480E+00 3.1242E+00 -9.5831E+00 H2 3837 1.008000 0.423800 5.1117E+00 3.4181E+00 -7.9943E+00 O6 3838 15.999400 -0.847600 -1.0500E+01 1.0065E+01 -1.1405E+01 H1 3839 1.008000 0.423800 -1.1439E+01 1.0271E+01 -1.1127E+01 H2 3840 1.008000 0.423800 -9.9010E+00 1.0821E+01 -1.1143E+01 O6 3841 15.999400 -0.847600 -7.1201E+00 8.8632E-01 1.1540E+01 H1 3842 1.008000 0.423800 -6.7963E+00 1.1340E+00 1.2454E+01 H2 3843 1.008000 0.423800 -6.3869E+00 4.2549E-01 1.1041E+01 O6 3844 15.999400 -0.847600 3.4472E+00 1.4267E+01 -1.4920E+01 H1 3845 1.008000 0.423800 4.1095E+00 1.4994E+01 -1.4738E+01 H2 3846 1.008000 0.423800 2.8400E+00 1.4548E+01 -1.5663E+01 O6 3847 15.999400 -0.847600 1.5900E+01 -1.8742E+01 2.9673E-01 H1 3848 1.008000 0.423800 1.5327E+01 -1.7924E+01 2.4984E-01 H2 3849 1.008000 0.423800 1.5844E+01 -1.9136E+01 1.2141E+00 O6 3850 15.999400 -0.847600 1.3421E+01 1.6505E+01 -9.6948E+00 H1 3851 1.008000 0.423800 1.4120E+01 1.7164E+01 -9.4172E+00 H2 3852 1.008000 0.423800 1.3032E+01 1.6782E+01 -1.0573E+01 O6 3853 15.999400 -0.847600 -1.0590E+01 -1.4616E+01 1.1753E+01 H1 3854 1.008000 0.423800 -1.0472E+01 -1.5573E+01 1.1488E+01 H2 3855 1.008000 0.423800 -1.1546E+01 -1.4453E+01 1.1998E+01 O6 3856 15.999400 -0.847600 -1.0623E+01 -3.0243E+00 1.7263E+00 H1 3857 1.008000 0.423800 -1.0371E+01 -2.5521E+00 2.5713E+00 H2 3858 1.008000 0.423800 -9.9717E+00 -3.7631E+00 1.5513E+00 O6 3859 15.999400 -0.847600 2.7144E+00 -2.4265E-01 1.5016E+01 H1 3860 1.008000 0.423800 2.2711E+00 -1.1057E+00 1.4774E+01 H2 3861 1.008000 0.423800 2.0170E+00 4.4970E-01 1.5201E+01 O6 3862 15.999400 -0.847600 1.5925E+01 -1.5224E+01 -1.8723E+01 H1 3863 1.008000 0.423800 1.5595E+01 -1.5874E+01 -1.9407E+01 H2 3864 1.008000 0.423800 1.5167E+01 -1.4946E+01 -1.8133E+01 O6 3865 15.999400 -0.847600 -8.7413E+00 -5.4208E+00 -1.2687E+01 H1 3866 1.008000 0.423800 -8.9744E+00 -6.3213E+00 -1.3054E+01 H2 3867 1.008000 0.423800 -9.5450E+00 -4.8270E+00 -1.2725E+01 O6 3868 15.999400 -0.847600 1.2077E+01 -9.9815E+00 -6.8049E+00 H1 3869 1.008000 0.423800 1.1391E+01 -1.0372E+01 -7.4189E+00 H2 3870 1.008000 0.423800 1.2982E+01 -1.0060E+01 -7.2226E+00 O6 3871 15.999400 -0.847600 -1.8509E+01 -1.7861E+01 7.5538E-01 H1 3872 1.008000 0.423800 -1.7803E+01 -1.7257E+01 1.1259E+00 H2 3873 1.008000 0.423800 -1.9297E+01 -1.7869E+01 1.3701E+00 O6 3874 15.999400 -0.847600 1.6386E+01 -5.0756E+00 -9.6859E+00 H1 3875 1.008000 0.423800 1.5494E+01 -5.1187E+00 -1.0135E+01 H2 3876 1.008000 0.423800 1.6446E+01 -4.2378E+00 -9.1431E+00 O6 3877 15.999400 -0.847600 4.7065E+00 7.2039E+00 4.0791E+00 H1 3878 1.008000 0.423800 5.1300E+00 8.0690E+00 3.8103E+00 H2 3879 1.008000 0.423800 4.1473E+00 7.3463E+00 4.8958E+00 O6 3880 15.999400 -0.847600 -1.2533E+01 6.0089E+00 -8.6888E+00 H1 3881 1.008000 0.423800 -1.1874E+01 6.5340E+00 -9.2277E+00 H2 3882 1.008000 0.423800 -1.2934E+01 6.5976E+00 -7.9870E+00 O6 3883 15.999400 -0.847600 -2.5855E+00 1.2140E+01 8.9126E-01 H1 3884 1.008000 0.423800 -2.0342E+00 1.2946E+01 6.7476E-01 H2 3885 1.008000 0.423800 -2.6292E+00 1.1541E+01 9.1390E-02 O6 3886 15.999400 -0.847600 1.4756E+01 1.9236E+01 -1.4005E+01 H1 3887 1.008000 0.423800 1.4493E+01 -1.9227E+01 -1.4731E+01 H2 3888 1.008000 0.423800 1.3934E+01 1.8889E+01 -1.3552E+01 O6 3889 15.999400 -0.847600 -7.6073E+00 1.3670E+01 -1.3286E+01 H1 3890 1.008000 0.423800 -7.2915E+00 1.2781E+01 -1.3619E+01 H2 3891 1.008000 0.423800 -7.9752E+00 1.4200E+01 -1.4050E+01 O6 3892 15.999400 -0.847600 9.7253E+00 -5.8856E+00 1.3585E+01 H1 3893 1.008000 0.423800 8.9046E+00 -5.3766E+00 1.3325E+01 H2 3894 1.008000 0.423800 9.6319E+00 -6.8384E+00 1.3296E+01 O6 3895 15.999400 -0.847600 -1.7140E+01 1.0533E+01 -9.3375E+00 H1 3896 1.008000 0.423800 -1.6709E+01 1.0585E+01 -8.4366E+00 H2 3897 1.008000 0.423800 -1.6997E+01 9.6216E+00 -9.7232E+00 O6 3898 15.999400 -0.847600 8.9171E+00 5.0337E+00 -1.3883E+01 H1 3899 1.008000 0.423800 7.9579E+00 5.2301E+00 -1.3679E+01 H2 3900 1.008000 0.423800 9.2184E+00 4.2480E+00 -1.3343E+01 O6 3901 15.999400 -0.847600 1.7623E+00 -4.0797E+00 -3.9894E+00 H1 3902 1.008000 0.423800 9.4075E-01 -3.7444E+00 -4.4505E+00 H2 3903 1.008000 0.423800 2.3470E+00 -3.3060E+00 -3.7458E+00 O6 3904 15.999400 -0.847600 -1.3653E+01 7.3696E+00 -1.7953E+01 H1 3905 1.008000 0.423800 -1.2803E+01 6.9117E+00 -1.8215E+01 H2 3906 1.008000 0.423800 -1.4296E+01 6.6958E+00 -1.7590E+01 O6 3907 15.999400 -0.847600 1.4044E+01 1.2993E+01 8.7933E+00 H1 3908 1.008000 0.423800 1.4128E+01 1.2742E+01 7.8288E+00 H2 3909 1.008000 0.423800 1.3737E+01 1.3942E+01 8.8654E+00 O6 3910 15.999400 -0.847600 2.2655E+00 -7.3748E+00 1.6569E+00 H1 3911 1.008000 0.423800 2.4371E+00 -8.0101E+00 2.4099E+00 H2 3912 1.008000 0.423800 1.2868E+00 -7.3566E+00 1.4528E+00 O6 3913 15.999400 -0.847600 -5.7969E+00 -1.9240E+01 -5.8989E+00 H1 3914 1.008000 0.423800 -6.4946E+00 1.9289E+01 -5.4627E+00 H2 3915 1.008000 0.423800 -4.9033E+00 -1.9444E+01 -5.4988E+00 O6 3916 15.999400 -0.847600 -2.8338E+00 2.8913E-01 9.1961E+00 H1 3917 1.008000 0.423800 -2.1585E+00 -2.6224E-01 8.7063E+00 H2 3918 1.008000 0.423800 -3.2080E+00 9.8241E-01 8.5803E+00 O6 3919 15.999400 -0.847600 -1.6556E+01 -1.3815E+01 -1.1431E+01 H1 3920 1.008000 0.423800 -1.6577E+01 -1.3766E+01 -1.0433E+01 H2 3921 1.008000 0.423800 -1.5612E+01 -1.3932E+01 -1.1739E+01 O6 3922 15.999400 -0.847600 -1.9293E+01 -3.4316E+00 -6.3337E+00 H1 3923 1.008000 0.423800 -1.9459E+01 -3.1735E+00 -5.3819E+00 H2 3924 1.008000 0.423800 -1.8415E+01 -3.9055E+00 -6.4020E+00 O6 3925 15.999400 -0.847600 -1.2453E+01 -1.1044E+01 9.6339E+00 H1 3926 1.008000 0.423800 -1.1938E+01 -1.1711E+01 9.0949E+00 H2 3927 1.008000 0.423800 -1.2779E+01 -1.0312E+01 9.0354E+00 O6 3928 15.999400 -0.847600 -1.6051E+01 5.1375E+00 -8.2226E+00 H1 3929 1.008000 0.423800 -1.5187E+01 4.6865E+00 -8.4460E+00 H2 3930 1.008000 0.423800 -1.6583E+01 5.2709E+00 -9.0586E+00 O6 3931 15.999400 -0.847600 7.2298E+00 6.1588E+00 7.0261E-01 H1 3932 1.008000 0.423800 6.5259E+00 5.8601E+00 1.3471E+00 H2 3933 1.008000 0.423800 7.8500E+00 5.3983E+00 5.1035E-01 O6 3934 15.999400 -0.847600 -1.5956E+01 7.2453E-01 3.1553E-01 H1 3935 1.008000 0.423800 -1.5167E+01 1.2999E-01 1.6108E-01 H2 3936 1.008000 0.423800 -1.6516E+01 7.5696E-01 -5.1236E-01 O6 3937 15.999400 -0.847600 -2.7793E+00 3.8859E-01 1.1972E+01 H1 3938 1.008000 0.423800 -1.8213E+00 3.0645E-01 1.2246E+01 H2 3939 1.008000 0.423800 -2.8438E+00 3.5547E-01 1.0974E+01 O6 3940 15.999400 -0.847600 -1.5254E+01 -7.8078E+00 -7.7553E+00 H1 3941 1.008000 0.423800 -1.5812E+01 -8.6295E+00 -7.6406E+00 H2 3942 1.008000 0.423800 -1.4286E+01 -8.0540E+00 -7.7118E+00 O6 3943 15.999400 -0.847600 1.9014E+01 -1.2559E+01 6.2393E+00 H1 3944 1.008000 0.423800 1.8840E+01 -1.3543E+01 6.2801E+00 H2 3945 1.008000 0.423800 1.9518E+01 -1.2275E+01 7.0547E+00 O6 3946 15.999400 -0.847600 -1.5558E+01 8.5321E+00 4.5959E+00 H1 3947 1.008000 0.423800 -1.5370E+01 8.5756E+00 5.5772E+00 H2 3948 1.008000 0.423800 -1.5422E+01 9.4361E+00 4.1904E+00 O6 3949 15.999400 -0.847600 5.7262E+00 1.5059E+01 9.0236E+00 H1 3950 1.008000 0.423800 5.0374E+00 1.5118E+01 8.3011E+00 H2 3951 1.008000 0.423800 6.5693E+00 1.4672E+01 8.6494E+00 O6 3952 15.999400 -0.847600 1.8035E+01 -6.7260E+00 1.3639E+00 H1 3953 1.008000 0.423800 1.7903E+01 -6.2938E+00 4.7181E-01 H2 3954 1.008000 0.423800 1.7157E+01 -7.0572E+00 1.7071E+00 O6 3955 15.999400 -0.847600 -1.4299E+01 -1.7227E+01 3.2297E-01 H1 3956 1.008000 0.423800 -1.4142E+01 -1.7974E+01 9.6910E-01 H2 3957 1.008000 0.423800 -1.4900E+01 -1.6546E+01 7.4114E-01 O6 3958 15.999400 -0.847600 -1.6449E+01 9.7963E+00 9.9692E+00 H1 3959 1.008000 0.423800 -1.6526E+01 8.9768E+00 1.0537E+01 H2 3960 1.008000 0.423800 -1.5692E+01 1.0361E+01 1.0301E+01 O6 3961 15.999400 -0.847600 1.3712E+01 -1.4524E+01 -1.6929E+01 H1 3962 1.008000 0.423800 1.4140E+01 -1.4542E+01 -1.6026E+01 H2 3963 1.008000 0.423800 1.3122E+01 -1.3720E+01 -1.7003E+01 O6 3964 15.999400 -0.847600 -1.9427E+00 1.1988E+01 -1.2525E+01 H1 3965 1.008000 0.423800 -2.2039E+00 1.2793E+01 -1.3058E+01 H2 3966 1.008000 0.423800 -9.4903E-01 1.1879E+01 -1.2552E+01 O6 3967 15.999400 -0.847600 -1.9405E+01 -1.6864E+01 1.3698E+01 H1 3968 1.008000 0.423800 1.8910E+01 -1.7158E+01 1.4247E+01 H2 3969 1.008000 0.423800 -1.8775E+01 -1.6338E+01 1.4270E+01 O6 3970 15.999400 -0.847600 -8.4234E-02 -3.2768E+00 -6.1395E+00 H1 3971 1.008000 0.423800 -9.2139E-01 -3.8013E+00 -6.2949E+00 H2 3972 1.008000 0.423800 -2.7489E-01 -2.3022E+00 -6.2569E+00 O6 3973 15.999400 -0.847600 8.7455E+00 -1.9434E+01 -1.2457E+01 H1 3974 1.008000 0.423800 9.4507E+00 -1.8856E+01 -1.2046E+01 H2 3975 1.008000 0.423800 8.4313E+00 1.8993E+01 -1.1785E+01 O6 3976 15.999400 -0.847600 -4.0473E+00 1.7056E+01 -1.4652E+01 H1 3977 1.008000 0.423800 -4.4983E+00 1.7064E+01 -1.3760E+01 H2 3978 1.008000 0.423800 -4.2831E+00 1.6214E+01 -1.5138E+01 O6 3979 15.999400 -0.847600 8.5843E+00 -1.2688E+01 4.3463E+00 H1 3980 1.008000 0.423800 7.8476E+00 -1.2061E+01 4.0931E+00 H2 3981 1.008000 0.423800 8.1929E+00 -1.3525E+01 4.7282E+00 O6 3982 15.999400 -0.847600 2.1970E+00 -6.9256E-01 -4.0370E+00 H1 3983 1.008000 0.423800 1.2702E+00 -8.6913E-01 -3.7054E+00 H2 3984 1.008000 0.423800 2.1553E+00 -1.0748E-01 -4.8469E+00 O6 3985 15.999400 -0.847600 1.7091E+01 -1.3665E+01 -9.5355E+00 H1 3986 1.008000 0.423800 1.7744E+01 -1.3897E+01 -1.0257E+01 H2 3987 1.008000 0.423800 1.7567E+01 -1.3192E+01 -8.7942E+00 O6 3988 15.999400 -0.847600 -4.7956E+00 -4.9046E-01 3.1705E-01 H1 3989 1.008000 0.423800 -4.1584E+00 -6.8432E-01 -4.2894E-01 H2 3990 1.008000 0.423800 -5.6620E+00 -9.5945E-01 1.4568E-01 O6 3991 15.999400 -0.847600 -4.3542E+00 -1.5948E+01 -4.9692E+00 H1 3992 1.008000 0.423800 -5.1707E+00 -1.6485E+01 -4.7556E+00 H2 3993 1.008000 0.423800 -3.5709E+00 -1.6561E+01 -5.0743E+00 O6 3994 15.999400 -0.847600 1.1408E+01 -1.4362E+00 -8.3476E+00 H1 3995 1.008000 0.423800 1.1707E+01 -1.0624E+00 -7.4697E+00 H2 3996 1.008000 0.423800 1.1368E+01 -7.0268E-01 -9.0260E+00 O6 3997 15.999400 -0.847600 1.3879E+01 2.2356E+00 2.2084E+00 H1 3998 1.008000 0.423800 1.3295E+01 2.1630E+00 3.0170E+00 H2 3999 1.008000 0.423800 1.3376E+01 2.6922E+00 1.4743E+00 O6 4000 15.999400 -0.847600 1.1160E+01 4.3357E+00 1.1671E+01 H1 4001 1.008000 0.423800 1.0681E+01 3.7377E+00 1.2314E+01 H2 4002 1.008000 0.423800 1.0686E+01 4.3275E+00 1.0791E+01 O6 4003 15.999400 -0.847600 9.7481E+00 -3.7311E-01 1.6392E+01 H1 4004 1.008000 0.423800 1.0079E+01 -1.2517E+00 1.6048E+01 H2 4005 1.008000 0.423800 9.8861E+00 -3.2925E-01 1.7381E+01 O6 4006 15.999400 -0.847600 -1.4385E+01 1.8417E+01 1.0047E+01 H1 4007 1.008000 0.423800 -1.4464E+01 1.9369E+01 9.7515E+00 H2 4008 1.008000 0.423800 -1.4569E+01 1.8356E+01 1.1028E+01 O6 4009 15.999400 -0.847600 -8.2474E+00 -7.1274E+00 1.2416E+01 H1 4010 1.008000 0.423800 -8.2537E+00 -8.1168E+00 1.2561E+01 H2 4011 1.008000 0.423800 -7.5089E+00 -6.8877E+00 1.1785E+01 O6 4012 15.999400 -0.847600 1.5447E+01 1.1220E+00 -1.9400E+01 H1 4013 1.008000 0.423800 1.5843E+01 1.6007E+00 -1.8617E+01 H2 4014 1.008000 0.423800 1.4472E+01 9.6785E-01 -1.9239E+01 O6 4015 15.999400 -0.847600 -4.4751E+00 1.8345E+01 1.2275E+01 H1 4016 1.008000 0.423800 -5.2056E+00 1.9012E+01 1.2125E+01 H2 4017 1.008000 0.423800 -3.6778E+00 1.8596E+01 1.1726E+01 O6 4018 15.999400 -0.847600 1.4790E+01 4.3022E+00 -5.7106E+00 H1 4019 1.008000 0.423800 1.5719E+01 4.6683E+00 -5.7605E+00 H2 4020 1.008000 0.423800 1.4518E+01 3.9592E+00 -6.6097E+00 O6 4021 15.999400 -0.847600 -1.9405E+01 -1.6329E+01 -1.1518E+01 H1 4022 1.008000 0.423800 -1.8880E+01 -1.7127E+01 -1.1815E+01 H2 4023 1.008000 0.423800 -1.9070E+01 -1.5515E+01 -1.1991E+01 O6 4024 15.999400 -0.847600 1.4721E+01 1.8067E+01 -7.3423E-01 H1 4025 1.008000 0.423800 1.5150E+01 1.7261E+01 -3.2767E-01 H2 4026 1.008000 0.423800 1.5048E+01 1.8889E+01 -2.6814E-01 O6 4027 15.999400 -0.847600 -1.9233E+01 -1.1810E+01 -1.8321E+01 H1 4028 1.008000 0.423800 -1.8522E+01 -1.2507E+01 -1.8416E+01 H2 4029 1.008000 0.423800 -1.9302E+01 -1.1287E+01 -1.9171E+01 O6 4030 15.999400 -0.847600 1.4639E+01 -1.2734E+01 -1.4095E+01 H1 4031 1.008000 0.423800 1.3878E+01 -1.2363E+01 -1.3563E+01 H2 4032 1.008000 0.423800 1.5479E+01 -1.2687E+01 -1.3553E+01 O6 4033 15.999400 -0.847600 -1.5278E+01 -5.5164E+00 -1.4774E+01 H1 4034 1.008000 0.423800 -1.4768E+01 -6.0200E+00 -1.5471E+01 H2 4035 1.008000 0.423800 -1.4637E+01 -5.0553E+00 -1.4160E+01 O6 4036 15.999400 -0.847600 1.4158E+01 -3.8406E+00 2.7944E+00 H1 4037 1.008000 0.423800 1.4221E+01 -4.7865E+00 2.4761E+00 H2 4038 1.008000 0.423800 1.3904E+01 -3.8307E+00 3.7617E+00 O6 4039 15.999400 -0.847600 -6.3266E+00 -1.8590E+01 4.7394E+00 H1 4040 1.008000 0.423800 -6.7429E+00 -1.7923E+01 5.3579E+00 H2 4041 1.008000 0.423800 -5.3488E+00 -1.8662E+01 4.9364E+00 O6 4042 15.999400 -0.847600 -9.2900E-01 -8.0842E+00 -4.0609E+00 H1 4043 1.008000 0.423800 -1.0431E+00 -8.8298E+00 -3.4043E+00 H2 4044 1.008000 0.423800 -1.7892E+00 -7.9350E+00 -4.5486E+00 O6 4045 15.999400 -0.847600 1.8367E+01 6.4637E+00 -1.2207E+01 H1 4046 1.008000 0.423800 1.8899E+01 6.9215E+00 -1.1495E+01 H2 4047 1.008000 0.423800 1.8117E+01 7.1259E+00 -1.2914E+01 O6 4048 15.999400 -0.847600 1.3467E+01 -1.7957E+01 1.6388E+01 H1 4049 1.008000 0.423800 1.2547E+01 -1.7860E+01 1.6767E+01 H2 4050 1.008000 0.423800 1.3533E+01 -1.7440E+01 1.5535E+01 O6 4051 15.999400 -0.847600 -1.8011E+01 -4.8516E+00 1.8306E+01 H1 4052 1.008000 0.423800 -1.7658E+01 -5.7286E+00 1.8631E+01 H2 4053 1.008000 0.423800 -1.7627E+01 -4.6515E+00 1.7404E+01 O6 4054 15.999400 -0.847600 8.5464E+00 1.6530E+01 1.3079E+01 H1 4055 1.008000 0.423800 7.8567E+00 1.5825E+01 1.3245E+01 H2 4056 1.008000 0.423800 8.1193E+00 1.7433E+01 1.3130E+01 O6 4057 15.999400 -0.847600 -1.1364E+01 6.3657E+00 -1.8633E+01 H1 4058 1.008000 0.423800 -1.0562E+01 6.2708E+00 -1.8043E+01 H2 4059 1.008000 0.423800 -1.1070E+01 6.5961E+00 1.9537E+01 O6 4060 15.999400 -0.847600 -1.8943E+01 1.8984E+01 1.5184E+01 H1 4061 1.008000 0.423800 -1.8444E+01 1.8681E+01 1.4372E+01 H2 4062 1.008000 0.423800 -1.8317E+01 1.9457E+01 1.5803E+01 O6 4063 15.999400 -0.847600 -1.4759E+00 1.4806E+01 2.4787E-01 H1 4064 1.008000 0.423800 -1.8752E+00 1.5684E+01 5.1066E-01 H2 4065 1.008000 0.423800 -1.5027E+00 1.4712E+01 -7.4734E-01 O6 4066 15.999400 -0.847600 -1.7696E+01 1.5748E+01 9.2526E+00 H1 4067 1.008000 0.423800 -1.8217E+01 1.6521E+01 9.6132E+00 H2 4068 1.008000 0.423800 -1.7955E+01 1.4915E+01 9.7408E+00 O6 4069 15.999400 -0.847600 -7.1003E+00 1.4877E+01 -1.6991E+01 H1 4070 1.008000 0.423800 -7.1180E+00 1.3942E+01 -1.7346E+01 H2 4071 1.008000 0.423800 -6.9503E+00 1.5517E+01 -1.7744E+01 O6 4072 15.999400 -0.847600 6.5370E+00 -1.7740E+01 -1.1953E+01 H1 4073 1.008000 0.423800 5.6716E+00 -1.8060E+01 -1.1567E+01 H2 4074 1.008000 0.423800 7.2078E+00 -1.8481E+01 -1.1927E+01 O6 4075 15.999400 -0.847600 -5.1281E+00 -1.1094E+00 -1.5048E+01 H1 4076 1.008000 0.423800 -4.8011E+00 -1.7076E-01 -1.4938E+01 H2 4077 1.008000 0.423800 -5.7262E+00 -1.3458E+00 -1.4283E+01 O6 4078 15.999400 -0.847600 -1.0700E+00 -6.6579E+00 1.0556E+01 H1 4079 1.008000 0.423800 -8.4845E-01 -7.2992E+00 1.1290E+01 H2 4080 1.008000 0.423800 -1.0078E+00 -7.1264E+00 9.6742E+00 O6 4081 15.999400 -0.847600 -2.3937E+00 1.1747E+01 1.7333E+01 H1 4082 1.008000 0.423800 -2.8478E+00 1.1929E+01 1.8205E+01 H2 4083 1.008000 0.423800 -1.4440E+00 1.2056E+01 1.7381E+01 O6 4084 15.999400 -0.847600 1.5541E+01 8.2524E+00 8.2513E-01 H1 4085 1.008000 0.423800 1.4891E+01 8.8218E+00 1.3287E+00 H2 4086 1.008000 0.423800 1.5045E+01 7.6790E+00 1.7250E-01 O6 4087 15.999400 -0.847600 -1.4538E+01 1.1151E+01 1.1081E+01 H1 4088 1.008000 0.423800 -1.4224E+01 1.0355E+01 1.1599E+01 H2 4089 1.008000 0.423800 -1.4572E+01 1.1948E+01 1.1684E+01 O6 4090 15.999400 -0.847600 -1.5078E+01 -2.3008E+00 -6.3368E+00 H1 4091 1.008000 0.423800 -1.5686E+01 -1.9469E+00 -7.0479E+00 H2 4092 1.008000 0.423800 -1.4516E+01 -1.5560E+00 -5.9781E+00 O6 4093 15.999400 -0.847600 -1.3626E+01 -1.5873E+01 1.4369E+01 H1 4094 1.008000 0.423800 -1.3748E+01 -1.5024E+01 1.3855E+01 H2 4095 1.008000 0.423800 -1.2659E+01 -1.6127E+01 1.4368E+01 O6 4096 15.999400 -0.847600 -2.5774E+00 6.3373E-01 1.6415E+01 H1 4097 1.008000 0.423800 -2.6515E+00 1.5309E+00 1.5980E+01 H2 4098 1.008000 0.423800 -3.4904E+00 3.0182E-01 1.6652E+01 O6 4099 15.999400 -0.847600 -1.5452E+01 1.0174E+00 4.5647E+00 H1 4100 1.008000 0.423800 -1.6008E+01 1.4400E+00 3.8493E+00 H2 4101 1.008000 0.423800 -1.5738E+01 6.7584E-02 4.6917E+00 O6 4102 15.999400 -0.847600 1.9880E-01 -1.4558E+01 8.5837E+00 H1 4103 1.008000 0.423800 4.5341E-01 -1.3598E+01 8.6958E+00 H2 4104 1.008000 0.423800 -7.2652E-01 -1.4701E+01 8.9350E+00 O6 4105 15.999400 -0.847600 1.1303E+01 -3.4600E+00 2.9513E+00 H1 4106 1.008000 0.423800 1.1858E+01 -3.4209E+00 2.1204E+00 H2 4107 1.008000 0.423800 1.0690E+01 -4.2485E+00 2.9056E+00 O6 4108 15.999400 -0.847600 -1.9272E+01 -9.3803E-02 1.3304E+01 H1 4109 1.008000 0.423800 -1.8464E+01 9.1686E-02 1.2744E+01 H2 4110 1.008000 0.423800 -1.8986E+01 -3.7965E-01 1.4218E+01 O6 4111 15.999400 -0.847600 1.6972E+01 -7.8009E+00 1.6426E+01 H1 4112 1.008000 0.423800 1.7371E+01 -7.2256E+00 1.5712E+01 H2 4113 1.008000 0.423800 1.7601E+01 -7.8555E+00 1.7201E+01 O6 4114 15.999400 -0.847600 -1.0852E+01 -7.5090E+00 1.8982E+01 H1 4115 1.008000 0.423800 -1.1162E+01 -8.3935E+00 1.8633E+01 H2 4116 1.008000 0.423800 -9.9903E+00 -7.6291E+00 1.9475E+01 O6 4117 15.999400 -0.847600 -9.2093E+00 9.0805E+00 6.5392E+00 H1 4118 1.008000 0.423800 -9.7624E+00 8.2644E+00 6.7066E+00 H2 4119 1.008000 0.423800 -8.3331E+00 8.8128E+00 6.1384E+00 O6 4120 15.999400 -0.847600 6.9644E+00 1.3189E+01 -8.2506E+00 H1 4121 1.008000 0.423800 7.0992E+00 1.2308E+01 -8.7034E+00 H2 4122 1.008000 0.423800 6.0063E+00 1.3281E+01 -7.9792E+00 O6 4123 15.999400 -0.847600 -2.4922E-01 4.0762E-02 1.2343E+01 H1 4124 1.008000 0.423800 4.8603E-02 7.0093E-01 1.1653E+01 H2 4125 1.008000 0.423800 3.1974E-01 -7.7965E-01 1.2286E+01 O6 4126 15.999400 -0.847600 1.5543E+01 7.9937E+00 7.3648E+00 H1 4127 1.008000 0.423800 1.5375E+01 7.2602E+00 8.0235E+00 H2 4128 1.008000 0.423800 1.6524E+01 8.0642E+00 7.1869E+00 O6 4129 15.999400 -0.847600 -7.3675E-01 -1.7173E+01 7.0837E+00 H1 4130 1.008000 0.423800 -7.0509E-02 -1.6561E+01 6.6577E+00 H2 4131 1.008000 0.423800 -4.3250E-01 -1.8120E+01 6.9812E+00 O6 4132 15.999400 -0.847600 1.5521E+01 1.1683E+01 6.6861E-01 H1 4133 1.008000 0.423800 1.5744E+01 1.2599E+01 1.0036E+00 H2 4134 1.008000 0.423800 1.5684E+01 1.1014E+01 1.3934E+00 O6 4135 15.999400 -0.847600 6.5803E+00 -1.8063E+01 -1.3288E+00 H1 4136 1.008000 0.423800 7.3955E+00 -1.8640E+01 -1.2857E+00 H2 4137 1.008000 0.423800 5.9882E+00 -1.8377E+01 -2.0709E+00 O6 4138 15.999400 -0.847600 8.8725E+00 1.8954E+01 1.4982E+01 H1 4139 1.008000 0.423800 8.3941E+00 -1.9491E+01 1.5570E+01 H2 4140 1.008000 0.423800 9.3002E+00 1.8248E+01 1.5547E+01 O6 4141 15.999400 -0.847600 2.7513E+00 1.0202E+01 -1.7426E+01 H1 4142 1.008000 0.423800 1.7793E+00 9.9687E+00 -1.7451E+01 H2 4143 1.008000 0.423800 2.9158E+00 1.0866E+01 -1.6696E+01 O6 4144 15.999400 -0.847600 -1.3575E+01 -1.3746E+01 1.2877E+01 H1 4145 1.008000 0.423800 -1.3881E+01 -1.4225E+01 1.2054E+01 H2 4146 1.008000 0.423800 -1.3341E+01 -1.2802E+01 1.2645E+01 O6 4147 15.999400 -0.847600 2.3127E-01 1.1982E+01 1.7901E+01 H1 4148 1.008000 0.423800 -6.0773E-02 1.1322E+01 1.8593E+01 H2 4149 1.008000 0.423800 4.0599E-02 1.2909E+01 1.8224E+01 O6 4150 15.999400 -0.847600 1.6946E+01 -1.6431E+01 1.1918E+01 H1 4151 1.008000 0.423800 1.7194E+01 -1.6647E+01 1.2862E+01 H2 4152 1.008000 0.423800 1.6006E+01 -1.6091E+01 1.1890E+01 O6 4153 15.999400 -0.847600 5.5416E+00 4.8804E+00 -1.1581E+00 H1 4154 1.008000 0.423800 5.6426E+00 3.9404E+00 -8.3209E-01 H2 4155 1.008000 0.423800 6.3275E+00 5.4225E+00 -8.6097E-01 O6 4156 15.999400 -0.847600 1.8555E+01 6.2169E+00 6.3975E+00 H1 4157 1.008000 0.423800 1.7908E+01 5.7552E+00 7.0047E+00 H2 4158 1.008000 0.423800 1.8164E+01 7.0856E+00 6.0931E+00 O6 4159 15.999400 -0.847600 1.0553E+01 1.5253E+01 -1.5424E+01 H1 4160 1.008000 0.423800 1.0611E+01 1.4345E+01 -1.5837E+01 H2 4161 1.008000 0.423800 9.7406E+00 1.5724E+01 -1.5768E+01 O6 4162 15.999400 -0.847600 1.7497E+01 6.3864E-01 -1.5007E+01 H1 4163 1.008000 0.423800 1.8273E+01 6.1411E-01 -1.5638E+01 H2 4164 1.008000 0.423800 1.7027E+01 -2.4376E-01 -1.5023E+01 O6 4165 15.999400 -0.847600 6.0808E+00 6.4232E+00 -8.5873E+00 H1 4166 1.008000 0.423800 6.5714E+00 6.9750E+00 -7.9129E+00 H2 4167 1.008000 0.423800 5.0988E+00 6.5939E+00 -8.5068E+00 O6 4168 15.999400 -0.847600 9.6127E+00 2.7372E+00 1.7451E+01 H1 4169 1.008000 0.423800 9.3271E+00 3.5814E+00 1.7904E+01 H2 4170 1.008000 0.423800 8.8090E+00 2.2654E+00 1.7088E+01 O6 4171 15.999400 -0.847600 1.4315E+01 -1.4681E+01 -1.0700E+01 H1 4172 1.008000 0.423800 1.5211E+01 -1.4247E+01 -1.0792E+01 H2 4173 1.008000 0.423800 1.3810E+01 -1.4247E+01 -9.9534E+00 O6 4174 15.999400 -0.847600 7.7436E+00 7.0093E+00 -1.7244E+01 H1 4175 1.008000 0.423800 8.3670E+00 6.2574E+00 -1.7030E+01 H2 4176 1.008000 0.423800 7.1336E+00 7.1682E+00 -1.6468E+01 O6 4177 15.999400 -0.847600 2.5983E+00 -1.4168E+01 -3.1062E+00 H1 4178 1.008000 0.423800 3.4729E+00 -1.4524E+01 -3.4350E+00 H2 4179 1.008000 0.423800 2.3137E+00 -1.4680E+01 -2.2956E+00 O6 4180 15.999400 -0.847600 -9.2515E+00 -8.6147E+00 1.6573E+01 H1 4181 1.008000 0.423800 -9.2027E+00 -7.6432E+00 1.6806E+01 H2 4182 1.008000 0.423800 -9.5430E+00 -8.7157E+00 1.5622E+01 O6 4183 15.999400 -0.847600 1.7791E+01 -1.4000E+01 -1.5153E+01 H1 4184 1.008000 0.423800 1.7120E+01 -1.4714E+01 -1.4954E+01 H2 4185 1.008000 0.423800 1.7970E+01 -1.3975E+01 -1.6137E+01 O6 4186 15.999400 -0.847600 1.1887E+01 -1.2620E+01 -1.7781E+01 H1 4187 1.008000 0.423800 1.2563E+01 -1.2458E+01 -1.8501E+01 H2 4188 1.008000 0.423800 1.1471E+01 -1.3520E+01 -1.7911E+01 O6 4189 15.999400 -0.847600 -1.7657E+01 -1.5249E+01 -3.8130E+00 H1 4190 1.008000 0.423800 -1.7340E+01 -1.5581E+01 -2.9246E+00 H2 4191 1.008000 0.423800 -1.6949E+01 -1.4677E+01 -4.2275E+00 O6 4192 15.999400 -0.847600 2.6035E+00 1.7992E+01 -6.1919E+00 H1 4193 1.008000 0.423800 3.1510E+00 1.8381E+01 -6.9330E+00 H2 4194 1.008000 0.423800 2.1883E+00 1.8731E+01 -5.6612E+00 O6 4195 15.999400 -0.847600 1.5765E+01 -1.5331E+01 8.4779E+00 H1 4196 1.008000 0.423800 1.5486E+01 -1.6231E+01 8.8119E+00 H2 4197 1.008000 0.423800 1.5431E+01 -1.4625E+01 9.1019E+00 O6 4198 15.999400 -0.847600 -8.9839E+00 1.3361E+01 -1.4573E+00 H1 4199 1.008000 0.423800 -9.6897E+00 1.3841E+01 -9.3690E-01 H2 4200 1.008000 0.423800 -8.0832E+00 1.3710E+01 -1.1984E+00 O6 4201 15.999400 -0.847600 -7.1817E+00 -3.4437E+00 -4.5796E+00 H1 4202 1.008000 0.423800 -8.0954E+00 -3.7785E+00 -4.3492E+00 H2 4203 1.008000 0.423800 -7.0309E+00 -2.5580E+00 -4.1405E+00 O6 4204 15.999400 -0.847600 4.0740E+00 -1.0717E+01 1.1582E+01 H1 4205 1.008000 0.423800 4.2829E+00 -9.7631E+00 1.1797E+01 H2 4206 1.008000 0.423800 4.3990E+00 -1.0931E+01 1.0661E+01 O6 4207 15.999400 -0.847600 4.3225E+00 -1.8021E+01 1.5952E+01 H1 4208 1.008000 0.423800 4.4810E+00 -1.7405E+01 1.6724E+01 H2 4209 1.008000 0.423800 3.7802E+00 -1.7550E+01 1.5256E+01 O6 4210 15.999400 -0.847600 1.7101E+01 1.5724E+01 -7.1261E+00 H1 4211 1.008000 0.423800 1.7514E+01 1.5661E+01 -8.0347E+00 H2 4212 1.008000 0.423800 1.6750E+01 1.4827E+01 -6.8575E+00 O6 4213 15.999400 -0.847600 1.7455E+01 2.2171E-01 1.7900E+01 H1 4214 1.008000 0.423800 1.7659E+01 7.7697E-01 1.7094E+01 H2 4215 1.008000 0.423800 1.6847E+01 7.3032E-01 1.8510E+01 O6 4216 15.999400 -0.847600 -1.9100E+01 -4.4708E+00 -9.1085E+00 H1 4217 1.008000 0.423800 -1.9405E+01 -4.2980E+00 -8.1718E+00 H2 4218 1.008000 0.423800 -1.9440E+01 -3.7464E+00 -9.7084E+00 O6 4219 15.999400 -0.847600 2.3239E+00 1.2487E-01 9.7599E+00 H1 4220 1.008000 0.423800 1.8772E+00 -6.9483E-01 1.0118E+01 H2 4221 1.008000 0.423800 1.6755E+00 8.8614E-01 9.7629E+00 O6 4222 15.999400 -0.847600 1.8020E+01 9.5041E+00 7.0363E+00 H1 4223 1.008000 0.423800 1.8968E+01 9.4797E+00 7.3530E+00 H2 4224 1.008000 0.423800 1.8001E+01 9.4594E+00 6.0375E+00 O6 4225 15.999400 -0.847600 -1.3868E+01 1.9141E+01 -1.7416E+01 H1 4226 1.008000 0.423800 -1.4184E+01 -1.9080E+01 -1.7053E+01 H2 4227 1.008000 0.423800 -1.4030E+01 1.8422E+01 -1.6739E+01 O6 4228 15.999400 -0.847600 4.4992E+00 -6.0384E+00 -1.8519E+01 H1 4229 1.008000 0.423800 4.0712E+00 -6.3668E+00 -1.7677E+01 H2 4230 1.008000 0.423800 5.3283E+00 -6.5675E+00 -1.8700E+01 O6 4231 15.999400 -0.847600 -1.6702E+01 -8.9673E+00 -4.3483E+00 H1 4232 1.008000 0.423800 -1.7330E+01 -8.5567E+00 -5.0096E+00 H2 4233 1.008000 0.423800 -1.5949E+01 -9.4104E+00 -4.8344E+00 O6 4234 15.999400 -0.847600 1.6549E+01 -1.7253E+01 -9.5683E+00 H1 4235 1.008000 0.423800 1.6427E+01 -1.7798E+01 -1.0398E+01 H2 4236 1.008000 0.423800 1.6354E+01 -1.6293E+01 -9.7687E+00 O6 4237 15.999400 -0.847600 -1.9510E+01 -2.9434E+00 -3.3208E+00 H1 4238 1.008000 0.423800 1.8724E+01 -3.4183E+00 -3.1524E+00 H2 4239 1.008000 0.423800 -1.9403E+01 -2.2015E+00 -2.6588E+00 O6 4240 15.999400 -0.847600 -1.3440E+01 -1.4605E+01 1.0215E+01 H1 4241 1.008000 0.423800 -1.4228E+01 -1.5215E+01 1.0296E+01 H2 4242 1.008000 0.423800 -1.3004E+01 -1.4740E+01 9.3250E+00 O6 4243 15.999400 -0.847600 -1.8243E+01 6.7467E+00 -5.0987E-02 H1 4244 1.008000 0.423800 -1.8923E+01 7.2292E+00 -6.0282E-01 H2 4245 1.008000 0.423800 -1.7522E+01 7.3840E+00 2.2169E-01 O6 4246 15.999400 -0.847600 -1.4814E+01 6.9023E+00 -1.2724E+00 H1 4247 1.008000 0.423800 -1.3823E+01 7.0357E+00 -1.2688E+00 H2 4248 1.008000 0.423800 -1.5149E+01 6.9157E+00 -2.2146E+00 O6 4249 15.999400 -0.847600 -1.7302E+01 -9.3255E+00 7.1410E+00 H1 4250 1.008000 0.423800 -1.8129E+01 -9.2930E+00 7.7021E+00 H2 4251 1.008000 0.423800 -1.7204E+01 -1.0238E+01 6.7443E+00 O6 4252 15.999400 -0.847600 1.8489E+01 8.8042E+00 4.4445E+00 H1 4253 1.008000 0.423800 1.7814E+01 8.5803E+00 3.7410E+00 H2 4254 1.008000 0.423800 1.9386E+01 8.4612E+00 4.1669E+00 O6 4255 15.999400 -0.847600 -6.3503E+00 1.6385E+01 -6.2821E+00 H1 4256 1.008000 0.423800 -7.0540E+00 1.7012E+01 -5.9477E+00 H2 4257 1.008000 0.423800 -6.2559E+00 1.6488E+01 -7.2723E+00 O6 4258 15.999400 -0.847600 6.1910E+00 1.1151E+01 -3.4653E+00 H1 4259 1.008000 0.423800 5.7540E+00 1.1873E+01 -2.9287E+00 H2 4260 1.008000 0.423800 6.6814E+00 1.1559E+01 -4.2355E+00 O6 4261 15.999400 -0.847600 -4.9693E+00 -2.2099E+00 -1.0719E+01 H1 4262 1.008000 0.423800 -4.0027E+00 -2.3180E+00 -1.0952E+01 H2 4263 1.008000 0.423800 -5.2904E+00 -3.0275E+00 -1.0241E+01 O6 4264 15.999400 -0.847600 -2.5234E+00 -1.4742E+01 -1.1619E+01 H1 4265 1.008000 0.423800 -3.2555E+00 -1.5239E+01 -1.1153E+01 H2 4266 1.008000 0.423800 -2.5379E+00 -1.3784E+01 -1.1333E+01 O6 4267 15.999400 -0.847600 -1.1952E+01 -6.5379E+00 6.2750E+00 H1 4268 1.008000 0.423800 -1.2670E+01 -5.9843E+00 6.6976E+00 H2 4269 1.008000 0.423800 -1.2368E+01 -7.2933E+00 5.7690E+00 O6 4270 15.999400 -0.847600 4.0255E+00 1.9283E+01 1.0848E+01 H1 4271 1.008000 0.423800 4.5318E+00 -1.9064E+01 1.1272E+01 H2 4272 1.008000 0.423800 3.5227E+00 1.8781E+01 1.1551E+01 O6 4273 15.999400 -0.847600 -1.2225E+01 8.1132E+00 4.1750E+00 H1 4274 1.008000 0.423800 -1.2521E+01 7.2289E+00 4.5357E+00 H2 4275 1.008000 0.423800 -1.2557E+01 8.8445E+00 4.7707E+00 O6 4276 15.999400 -0.847600 -1.8553E+01 1.2210E+01 -1.0668E+01 H1 4277 1.008000 0.423800 -1.7925E+01 1.2497E+01 -1.1391E+01 H2 4278 1.008000 0.423800 -1.8082E+01 1.1587E+01 -1.0044E+01 O6 4279 15.999400 -0.847600 8.1299E+00 -1.8480E+01 -5.0215E+00 H1 4280 1.008000 0.423800 7.3007E+00 -1.9007E+01 -5.2082E+00 H2 4281 1.008000 0.423800 7.9202E+00 -1.7504E+01 -5.0620E+00 O6 4282 15.999400 -0.847600 1.8711E+01 1.6662E+01 4.6723E+00 H1 4283 1.008000 0.423800 1.8483E+01 1.6640E+01 3.6991E+00 H2 4284 1.008000 0.423800 1.9238E+01 1.5845E+01 4.9090E+00 O6 4285 15.999400 -0.847600 1.7655E+00 1.5594E+01 -1.6539E+01 H1 4286 1.008000 0.423800 7.9505E-01 1.5359E+01 -1.6590E+01 H2 4287 1.008000 0.423800 1.8945E+00 1.6541E+01 -1.6835E+01 O6 4288 15.999400 -0.847600 -1.0191E+01 1.5713E+01 2.3384E+00 H1 4289 1.008000 0.423800 -9.8597E+00 1.4847E+01 2.7147E+00 H2 4290 1.008000 0.423800 -1.0378E+01 1.6351E+01 3.0850E+00 O6 4291 15.999400 -0.847600 -3.2307E+00 -1.6925E+01 -1.3900E+00 H1 4292 1.008000 0.423800 -3.4096E+00 -1.6067E+01 -1.8707E+00 H2 4293 1.008000 0.423800 -2.9694E+00 -1.6730E+01 -4.4478E-01 O6 4294 15.999400 -0.847600 -1.0377E+01 -1.7616E+01 -1.7701E+01 H1 4295 1.008000 0.423800 -1.0190E+01 -1.7105E+01 -1.6862E+01 H2 4296 1.008000 0.423800 -1.1283E+01 -1.7370E+01 -1.8046E+01 O6 4297 15.999400 -0.847600 -1.8727E+01 -6.1321E+00 -1.5527E+00 H1 4298 1.008000 0.423800 -1.8164E+01 -5.9285E+00 -7.5191E-01 H2 4299 1.008000 0.423800 -1.8767E+01 -5.3277E+00 -2.1454E+00 O6 4300 15.999400 -0.847600 4.5938E+00 -1.3537E+01 -1.6871E+01 H1 4301 1.008000 0.423800 4.2295E+00 -1.2631E+01 -1.7086E+01 H2 4302 1.008000 0.423800 5.4569E+00 -1.3673E+01 -1.7358E+01 O6 4303 15.999400 -0.847600 1.0601E+01 -1.2053E+01 1.0209E+01 H1 4304 1.008000 0.423800 1.0799E+01 -1.3020E+01 1.0047E+01 H2 4305 1.008000 0.423800 1.0519E+01 -1.1890E+01 1.1192E+01 O6 4306 15.999400 -0.847600 7.9035E+00 1.0490E+01 1.0589E+01 H1 4307 1.008000 0.423800 7.8417E+00 1.0899E+01 9.6783E+00 H2 4308 1.008000 0.423800 7.0662E+00 9.9780E+00 1.0782E+01 O6 4309 15.999400 -0.847600 -8.0789E-01 3.5997E+00 -1.2677E+01 H1 4310 1.008000 0.423800 -2.4944E-01 4.0611E+00 -1.3366E+01 H2 4311 1.008000 0.423800 -8.7041E-01 2.6259E+00 -1.2896E+01 O6 4312 15.999400 -0.847600 -8.3326E+00 6.8369E+00 1.0442E+01 H1 4313 1.008000 0.423800 -8.7616E+00 7.1791E+00 1.1278E+01 H2 4314 1.008000 0.423800 -7.8800E+00 5.9657E+00 1.0632E+01 O6 4315 15.999400 -0.847600 1.7737E+01 -5.9325E+00 -1.2669E+00 H1 4316 1.008000 0.423800 1.7385E+01 -5.2009E+00 -1.8506E+00 H2 4317 1.008000 0.423800 1.8711E+01 -6.0657E+00 -1.4504E+00 O6 4318 15.999400 -0.847600 1.1866E+01 1.1473E+01 -1.5123E+01 H1 4319 1.008000 0.423800 1.1509E+01 1.0593E+01 -1.4812E+01 H2 4320 1.008000 0.423800 1.2529E+01 1.1818E+01 -1.4458E+01 O6 4321 15.999400 -0.847600 -5.9075E+00 3.6831E+00 5.0943E+00 H1 4322 1.008000 0.423800 -6.0992E+00 4.1921E+00 5.9334E+00 H2 4323 1.008000 0.423800 -6.2731E+00 4.1839E+00 4.3098E+00 O6 4324 15.999400 -0.847600 1.0107E+00 1.4654E+01 -9.1925E+00 H1 4325 1.008000 0.423800 2.4681E-01 1.5168E+01 -9.5832E+00 H2 4326 1.008000 0.423800 7.0353E-01 1.3735E+01 -8.9482E+00 O6 4327 15.999400 -0.847600 4.2310E+00 -2.7109E+00 2.1089E+00 H1 4328 1.008000 0.423800 3.4446E+00 -3.2461E+00 2.4172E+00 H2 4329 1.008000 0.423800 4.8204E+00 -3.2828E+00 1.5384E+00 O6 4330 15.999400 -0.847600 1.9301E+01 5.9732E+00 1.4543E+01 H1 4331 1.008000 0.423800 1.9147E+01 6.1164E+00 1.3565E+01 H2 4332 1.008000 0.423800 1.9214E+01 4.9999E+00 1.4755E+01 O6 4333 15.999400 -0.847600 -8.8720E+00 1.5258E+01 -1.5016E+01 H1 4334 1.008000 0.423800 -9.4887E+00 1.6017E+01 -1.5226E+01 H2 4335 1.008000 0.423800 -8.1870E+00 1.5175E+01 -1.5739E+01 O6 4336 15.999400 -0.847600 -6.8292E+00 1.2152E+01 -1.7515E+01 H1 4337 1.008000 0.423800 -6.0651E+00 1.1829E+01 -1.6956E+01 H2 4338 1.008000 0.423800 -6.7964E+00 1.1712E+01 -1.8412E+01 O6 4339 15.999400 -0.847600 1.7799E+00 6.5000E+00 9.2670E+00 H1 4340 1.008000 0.423800 2.3795E+00 7.0965E+00 8.7334E+00 H2 4341 1.008000 0.423800 1.6240E+00 5.6491E+00 8.7654E+00 O6 4342 15.999400 -0.847600 2.1465E+00 1.0935E+01 7.2392E+00 H1 4343 1.008000 0.423800 1.8353E+00 1.0450E+01 8.0560E+00 H2 4344 1.008000 0.423800 1.3618E+00 1.1141E+01 6.6545E+00 O6 4345 15.999400 -0.847600 -1.5610E+01 1.2946E+01 9.7167E-01 H1 4346 1.008000 0.423800 -1.4825E+01 1.3508E+01 1.2312E+00 H2 4347 1.008000 0.423800 -1.5293E+01 1.2040E+01 6.9044E-01 O6 4348 15.999400 -0.847600 1.2599E+01 1.7235E+01 1.0248E+00 H1 4349 1.008000 0.423800 1.3265E+01 1.7362E+01 2.8936E-01 H2 4350 1.008000 0.423800 1.2270E+01 1.6291E+01 1.0177E+00 O6 4351 15.999400 -0.847600 -1.1170E+01 4.2003E+00 1.4906E+00 H1 4352 1.008000 0.423800 -1.0632E+01 3.3650E+00 1.6047E+00 H2 4353 1.008000 0.423800 -1.2080E+01 3.9666E+00 1.1485E+00 O6 4354 15.999400 -0.847600 4.6676E+00 -1.3970E+01 1.4711E+01 H1 4355 1.008000 0.423800 3.8934E+00 -1.3966E+01 1.5344E+01 H2 4356 1.008000 0.423800 5.1441E+00 -1.3093E+01 1.4762E+01 O6 4357 15.999400 -0.847600 9.6574E+00 -5.5902E+00 1.8390E+01 H1 4358 1.008000 0.423800 9.5361E+00 -4.5996E+00 1.8327E+01 H2 4359 1.008000 0.423800 9.9785E+00 -5.8296E+00 1.9306E+01 O6 4360 15.999400 -0.847600 4.0715E+00 -6.0491E+00 -1.2841E+01 H1 4361 1.008000 0.423800 4.4287E+00 -5.6942E+00 -1.3705E+01 H2 4362 1.008000 0.423800 4.7525E+00 -6.6481E+00 -1.2420E+01 O6 4363 15.999400 -0.847600 1.9475E+01 1.2830E+01 1.2908E+01 H1 4364 1.008000 0.423800 1.9503E+01 1.3739E+01 1.3323E+01 H2 4365 1.008000 0.423800 1.8777E+01 1.2812E+01 1.2192E+01 O6 4366 15.999400 -0.847600 4.6856E+00 -8.1864E+00 1.2333E+01 H1 4367 1.008000 0.423800 5.5095E+00 -8.1049E+00 1.2894E+01 H2 4368 1.008000 0.423800 4.0447E+00 -7.4577E+00 1.2575E+01 O6 4369 15.999400 -0.847600 1.8386E+01 -1.1257E+01 -1.2488E+00 H1 4370 1.008000 0.423800 1.9058E+01 -1.0533E+01 -1.4059E+00 H2 4371 1.008000 0.423800 1.8160E+01 -1.1296E+01 -2.7556E-01 O6 4372 15.999400 -0.847600 -9.6901E-01 -3.9108E+00 -1.3703E+01 H1 4373 1.008000 0.423800 -9.1851E-01 -3.5317E+00 -1.4627E+01 H2 4374 1.008000 0.423800 -5.3157E-02 -4.1749E+00 -1.3400E+01 O6 4375 15.999400 -0.847600 -1.5713E+01 -4.6308E+00 -3.7111E+00 H1 4376 1.008000 0.423800 -1.5976E+01 -4.1231E+00 -2.8906E+00 H2 4377 1.008000 0.423800 -1.5414E+01 -5.5494E+00 -3.4530E+00 O6 4378 15.999400 -0.847600 -6.9908E-01 -1.7569E+00 -9.5691E+00 H1 4379 1.008000 0.423800 -3.4386E-01 -8.3895E-01 -9.7460E+00 H2 4380 1.008000 0.423800 -1.2567E+00 -1.7441E+00 -8.7391E+00 O6 4381 15.999400 -0.847600 9.4018E+00 -8.2365E+00 9.7099E+00 H1 4382 1.008000 0.423800 9.3738E+00 -9.0682E+00 9.1553E+00 H2 4383 1.008000 0.423800 9.7332E+00 -8.4585E+00 1.0627E+01 O6 4384 15.999400 -0.847600 1.2450E+01 1.0905E+01 -5.1674E+00 H1 4385 1.008000 0.423800 1.1938E+01 1.0078E+01 -4.9356E+00 H2 4386 1.008000 0.423800 1.3366E+01 1.0653E+01 -5.4810E+00 O6 4387 15.999400 -0.847600 -3.6463E-01 -6.7104E+00 1.0348E+00 H1 4388 1.008000 0.423800 -6.3053E-01 -6.1870E+00 2.2529E-01 H2 4389 1.008000 0.423800 -1.0121E+00 -6.5305E+00 1.7754E+00 O6 4390 15.999400 -0.847600 1.6663E+01 1.1030E+01 -1.5980E+01 H1 4391 1.008000 0.423800 1.7435E+01 1.1399E+01 -1.6499E+01 H2 4392 1.008000 0.423800 1.6829E+01 1.0065E+01 -1.5777E+01 O6 4393 15.999400 -0.847600 -7.9249E+00 1.4560E+01 8.6513E+00 H1 4394 1.008000 0.423800 -7.0259E+00 1.4164E+01 8.4644E+00 H2 4395 1.008000 0.423800 -8.3175E+00 1.4912E+01 7.8015E+00 O6 4396 15.999400 -0.847600 -6.7087E+00 -6.6163E+00 1.0053E+01 H1 4397 1.008000 0.423800 -6.8550E+00 -6.7953E+00 9.0799E+00 H2 4398 1.008000 0.423800 -5.7390E+00 -6.7279E+00 1.0270E+01 O6 4399 15.999400 -0.847600 1.3499E+01 1.7640E+01 -5.5687E+00 H1 4400 1.008000 0.423800 1.4469E+01 1.7744E+01 -5.7859E+00 H2 4401 1.008000 0.423800 1.3395E+01 1.7427E+01 -4.5973E+00 O6 4402 15.999400 -0.847600 1.0865E+01 -1.0438E+01 5.6604E+00 H1 4403 1.008000 0.423800 1.0932E+01 -1.1362E+01 5.2841E+00 H2 4404 1.008000 0.423800 9.9816E+00 -1.0041E+01 5.4134E+00 O6 4405 15.999400 -0.847600 -7.7820E+00 -2.6226E+00 6.1106E+00 H1 4406 1.008000 0.423800 -8.4831E+00 -2.7320E+00 6.8152E+00 H2 4407 1.008000 0.423800 -7.1102E+00 -1.9456E+00 6.4111E+00 O6 4408 15.999400 -0.847600 1.5137E+01 -7.8785E+00 -1.6462E+01 H1 4409 1.008000 0.423800 1.5748E+01 -7.8393E+00 -1.7252E+01 H2 4410 1.008000 0.423800 1.4688E+01 -8.7716E+00 -1.6432E+01 O6 4411 15.999400 -0.847600 -1.0523E+01 -6.3611E+00 -1.0347E+01 H1 4412 1.008000 0.423800 -1.1306E+01 -6.9470E+00 -1.0555E+01 H2 4413 1.008000 0.423800 -9.6954E+00 -6.9192E+00 -1.0290E+01 O6 4414 15.999400 -0.847600 1.5262E+00 1.6905E+00 -1.2531E+01 H1 4415 1.008000 0.423800 1.9153E+00 1.3981E+00 -1.1658E+01 H2 4416 1.008000 0.423800 5.9757E-01 1.3303E+00 -1.2620E+01 O6 4417 15.999400 -0.847600 -1.4664E+01 -6.4852E+00 1.8382E+01 H1 4418 1.008000 0.423800 -1.4591E+01 -5.4944E+00 1.8268E+01 H2 4419 1.008000 0.423800 -1.5575E+01 -6.7146E+00 1.8724E+01 O6 4420 15.999400 -0.847600 -5.5361E+00 -1.8907E+01 1.7558E+01 H1 4421 1.008000 0.423800 -5.5541E+00 -1.7908E+01 1.7521E+01 H2 4422 1.008000 0.423800 -5.2362E+00 -1.9202E+01 1.8465E+01 O6 4423 15.999400 -0.847600 2.6704E+00 -1.5313E+00 5.8654E+00 H1 4424 1.008000 0.423800 2.4626E+00 -2.3171E+00 6.4480E+00 H2 4425 1.008000 0.423800 1.8530E+00 -9.6373E-01 5.7673E+00 O6 4426 15.999400 -0.847600 4.9719E+00 -4.5894E+00 -8.7760E+00 H1 4427 1.008000 0.423800 4.1915E+00 -4.2232E+00 -9.2830E+00 H2 4428 1.008000 0.423800 5.8032E+00 -4.1049E+00 -9.0484E+00 O6 4429 15.999400 -0.847600 -1.1698E+01 -1.2077E+01 1.7392E+01 H1 4430 1.008000 0.423800 -1.2571E+01 -1.1672E+01 1.7118E+01 H2 4431 1.008000 0.423800 -1.1819E+01 -1.3057E+01 1.7547E+01 O6 4432 15.999400 -0.847600 -1.4408E+01 -1.0644E+01 -1.8031E+01 H1 4433 1.008000 0.423800 -1.3875E+01 -9.9301E+00 -1.8485E+01 H2 4434 1.008000 0.423800 -1.3931E+01 -1.1519E+01 -1.8111E+01 O6 4435 15.999400 -0.847600 -7.2781E+00 -1.0514E+01 -7.0894E+00 H1 4436 1.008000 0.423800 -7.3185E+00 -1.1200E+01 -7.8162E+00 H2 4437 1.008000 0.423800 -7.2635E+00 -1.0972E+01 -6.2002E+00 O6 4438 15.999400 -0.847600 -9.6479E+00 5.6646E+00 1.6118E+01 H1 4439 1.008000 0.423800 -9.4464E+00 6.5852E+00 1.5783E+01 H2 4440 1.008000 0.423800 -8.8394E+00 5.2908E+00 1.6572E+01 O6 4441 15.999400 -0.847600 1.2600E+01 -1.9030E+01 -1.8573E+01 H1 4442 1.008000 0.423800 1.1801E+01 -1.9113E+01 -1.9169E+01 H2 4443 1.008000 0.423800 1.3318E+01 1.9447E+01 -1.8889E+01 O6 4444 15.999400 -0.847600 6.6030E+00 1.4538E+01 1.3296E+01 H1 4445 1.008000 0.423800 5.7598E+00 1.4952E+01 1.2952E+01 H2 4446 1.008000 0.423800 6.5301E+00 1.3542E+01 1.3247E+01 O6 4447 15.999400 -0.847600 1.5485E+00 -2.8296E+00 1.4921E+01 H1 4448 1.008000 0.423800 2.0152E+00 -3.2391E+00 1.4137E+01 H2 4449 1.008000 0.423800 7.5372E-01 -3.3859E+00 1.5164E+01 O6 4450 15.999400 -0.847600 5.5326E-01 1.7407E+01 -2.9724E+00 H1 4451 1.008000 0.423800 9.5448E-01 1.8311E+01 -2.8245E+00 H2 4452 1.008000 0.423800 1.2823E+00 1.6726E+01 -3.0403E+00 O6 4453 15.999400 -0.847600 -9.6219E-01 -1.2956E+01 2.5141E+00 H1 4454 1.008000 0.423800 -1.0496E+00 -1.2147E+01 3.0958E+00 H2 4455 1.008000 0.423800 -1.7792E-02 -1.3284E+01 2.5390E+00 O6 4456 15.999400 -0.847600 1.1933E+01 1.2917E+01 -1.8090E+01 H1 4457 1.008000 0.423800 1.2883E+01 1.3186E+01 -1.8245E+01 H2 4458 1.008000 0.423800 1.1895E+01 1.2232E+01 -1.7362E+01 O6 4459 15.999400 -0.847600 -1.3762E+01 -1.8671E+01 1.4086E+01 H1 4460 1.008000 0.423800 -1.3898E+01 -1.7707E+01 1.4315E+01 H2 4461 1.008000 0.423800 -1.3101E+01 -1.8747E+01 1.3340E+01 O6 4462 15.999400 -0.847600 -1.6153E+01 9.9422E+00 -4.2641E+00 H1 4463 1.008000 0.423800 -1.6537E+01 9.0366E+00 -4.0848E+00 H2 4464 1.008000 0.423800 -1.6202E+01 1.0496E+01 -3.4328E+00 O6 4465 15.999400 -0.847600 4.5377E+00 1.6340E+01 -4.0997E+00 H1 4466 1.008000 0.423800 5.2553E+00 1.5850E+01 -4.5949E+00 H2 4467 1.008000 0.423800 3.9793E+00 1.6857E+01 -4.7480E+00 O6 4468 15.999400 -0.847600 -6.1977E+00 -6.2649E+00 1.8577E+01 H1 4469 1.008000 0.423800 -6.3453E+00 -7.1506E+00 1.8137E+01 H2 4470 1.008000 0.423800 -5.9160E+00 -6.4071E+00 1.9526E+01 O6 4471 15.999400 -0.847600 8.5995E+00 4.9992E+00 -7.7830E+00 H1 4472 1.008000 0.423800 9.4107E+00 5.1785E+00 -8.3396E+00 H2 4473 1.008000 0.423800 7.8071E+00 5.4502E+00 -8.1938E+00 O6 4474 15.999400 -0.847600 -1.8548E+01 -1.1208E+01 -6.0703E+00 H1 4475 1.008000 0.423800 -1.9079E+01 -1.0822E+01 -5.3155E+00 H2 4476 1.008000 0.423800 -1.7816E+01 -1.1782E+01 -5.7036E+00 O6 4477 15.999400 -0.847600 -1.5869E+01 -1.5629E+01 -1.8104E+01 H1 4478 1.008000 0.423800 -1.6368E+01 -1.6482E+01 -1.8258E+01 H2 4479 1.008000 0.423800 -1.4990E+01 -1.5666E+01 -1.8578E+01 O6 4480 15.999400 -0.847600 2.0499E+00 1.2146E+00 9.8188E-01 H1 4481 1.008000 0.423800 2.0410E+00 7.0344E-01 1.2244E-01 H2 4482 1.008000 0.423800 2.9930E+00 1.3201E+00 1.2971E+00 O6 4483 15.999400 -0.847600 1.7779E+01 1.2519E+01 1.8971E+01 H1 4484 1.008000 0.423800 1.7627E+01 1.2206E+01 1.8033E+01 H2 4485 1.008000 0.423800 1.8761E+01 1.2590E+01 1.9144E+01 O6 4486 15.999400 -0.847600 -1.2335E+00 -1.1986E+01 1.2056E+01 H1 4487 1.008000 0.423800 -2.4567E-01 -1.2137E+01 1.2092E+01 H2 4488 1.008000 0.423800 -1.6996E+00 -1.2702E+01 1.2575E+01 O6 4489 15.999400 -0.847600 1.8845E+01 -1.0464E+01 1.7947E+01 H1 4490 1.008000 0.423800 1.8623E+01 -1.1259E+01 1.7382E+01 H2 4491 1.008000 0.423800 1.8012E+01 -9.9416E+00 1.8129E+01 O6 4492 15.999400 -0.847600 -1.6362E+01 -1.2428E+01 1.1651E+01 H1 4493 1.008000 0.423800 -1.6934E+01 -1.3138E+01 1.2060E+01 H2 4494 1.008000 0.423800 -1.6100E+01 -1.1766E+01 1.2353E+01 O6 4495 15.999400 -0.847600 4.7610E+00 6.6775E+00 -1.1332E+01 H1 4496 1.008000 0.423800 3.7926E+00 6.4490E+00 -1.1432E+01 H2 4497 1.008000 0.423800 5.0909E+00 6.3507E+00 -1.0447E+01 O6 4498 15.999400 -0.847600 -3.3620E+00 1.0677E+01 -1.0359E+00 H1 4499 1.008000 0.423800 -3.6049E+00 1.1430E+01 -1.6470E+00 H2 4500 1.008000 0.423800 -4.0514E+00 9.9556E+00 -1.1054E+00 O6 4501 15.999400 -0.847600 1.4619E+00 -5.3075E+00 -6.9015E+00 H1 4502 1.008000 0.423800 9.9755E-01 -5.8220E+00 -7.6224E+00 H2 4503 1.008000 0.423800 8.6295E-01 -4.5762E+00 -6.5753E+00 O6 4504 15.999400 -0.847600 1.5608E+01 8.8769E+00 1.2524E+01 H1 4505 1.008000 0.423800 1.5985E+01 8.2196E+00 1.3176E+01 H2 4506 1.008000 0.423800 1.5356E+01 8.4023E+00 1.1680E+01 O6 4507 15.999400 -0.847600 -1.4090E+01 -1.1341E+00 -1.6384E+01 H1 4508 1.008000 0.423800 -1.4473E+01 -2.0032E+00 -1.6697E+01 H2 4509 1.008000 0.423800 -1.3314E+01 -1.3108E+00 -1.5779E+01 O6 4510 15.999400 -0.847600 -1.5102E+01 -7.0980E+00 -2.8405E+00 H1 4511 1.008000 0.423800 -1.5712E+01 -7.7151E+00 -3.3382E+00 H2 4512 1.008000 0.423800 -1.4159E+01 -7.4210E+00 -2.9250E+00 O6 4513 15.999400 -0.847600 1.6956E+01 -7.8716E+00 -1.2528E+01 H1 4514 1.008000 0.423800 1.7531E+01 -7.0842E+00 -1.2308E+01 H2 4515 1.008000 0.423800 1.7480E+01 -8.5258E+00 -1.3073E+01 O6 4516 15.999400 -0.847600 -1.7497E+01 2.2417E+00 1.1575E+01 H1 4517 1.008000 0.423800 -1.6657E+01 2.6324E+00 1.1951E+01 H2 4518 1.008000 0.423800 -1.7399E+01 1.2492E+00 1.1502E+01 O6 4519 15.999400 -0.847600 5.8224E+00 1.8123E+01 -9.7729E+00 H1 4520 1.008000 0.423800 5.0813E+00 1.8699E+01 -9.4274E+00 H2 4521 1.008000 0.423800 5.5557E+00 1.7729E+01 -1.0652E+01 O6 4522 15.999400 -0.847600 -1.7095E+01 1.9287E+01 -1.1149E+01 H1 4523 1.008000 0.423800 -1.7397E+01 1.8687E+01 -1.1890E+01 H2 4524 1.008000 0.423800 -1.7736E+01 1.9220E+01 -1.0384E+01 O6 4525 15.999400 -0.847600 1.3007E+01 4.2610E+00 -1.6870E+00 H1 4526 1.008000 0.423800 1.3032E+01 4.0684E+00 -7.0599E-01 H2 4527 1.008000 0.423800 1.2181E+01 4.7820E+00 -1.9034E+00 O6 4528 15.999400 -0.847600 -1.6076E+01 -1.3374E+01 -1.4954E-01 H1 4529 1.008000 0.423800 -1.5117E+01 -1.3474E+01 -4.1549E-01 H2 4530 1.008000 0.423800 -1.6616E+01 -1.3104E+01 -9.4629E-01 O6 4531 15.999400 -0.847600 -1.4086E+01 -7.6381E+00 1.0460E+01 H1 4532 1.008000 0.423800 -1.4141E+01 -6.6420E+00 1.0529E+01 H2 4533 1.008000 0.423800 -1.3345E+01 -7.8883E+00 9.8369E+00 O6 4534 15.999400 -0.847600 -8.7583E+00 -1.4367E+01 -1.8446E+01 H1 4535 1.008000 0.423800 -7.9799E+00 -1.3740E+01 -1.8456E+01 H2 4536 1.008000 0.423800 -8.4805E+00 -1.5250E+01 -1.8826E+01 O6 4537 15.999400 -0.847600 1.8466E+01 3.9387E+00 -1.9259E+01 H1 4538 1.008000 0.423800 1.8578E+01 4.1437E+00 -1.8287E+01 H2 4539 1.008000 0.423800 1.9364E+01 3.9134E+00 1.9398E+01 O6 4540 15.999400 -0.847600 -5.1023E+00 -6.5829E+00 -1.8188E+01 H1 4541 1.008000 0.423800 -5.6964E+00 -7.3323E+00 -1.7896E+01 H2 4542 1.008000 0.423800 -4.7573E+00 -6.0983E+00 -1.7384E+01 O6 4543 15.999400 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-1.3561E+01 -1.7668E+01 8.9276E+00 H2 4560 1.008000 0.423800 -1.2550E+01 -1.7732E+01 7.6473E+00 O6 4561 15.999400 -0.847600 -7.2873E+00 -9.7607E+00 -1.9463E+01 H1 4562 1.008000 0.423800 -6.6796E+00 -9.4406E+00 1.8907E+01 H2 4563 1.008000 0.423800 -8.2382E+00 -9.6629E+00 1.9341E+01 O6 4564 15.999400 -0.847600 5.0487E+00 5.3674E+00 -5.0300E+00 H1 4565 1.008000 0.423800 6.0136E+00 5.6185E+00 -5.1081E+00 H2 4566 1.008000 0.423800 4.7705E+00 5.4076E+00 -4.0703E+00 O6 4567 15.999400 -0.847600 3.6253E+00 -1.0836E+01 -1.1327E+01 H1 4568 1.008000 0.423800 3.0705E+00 -1.0634E+01 -1.2134E+01 H2 4569 1.008000 0.423800 3.0356E+00 -1.0884E+01 -1.0521E+01 O6 4570 15.999400 -0.847600 -2.5034E+00 1.2729E+01 -1.6094E+01 H1 4571 1.008000 0.423800 -1.5658E+00 1.2447E+01 -1.5891E+01 H2 4572 1.008000 0.423800 -3.1397E+00 1.2201E+01 -1.5532E+01 O6 4573 15.999400 -0.847600 1.6535E+01 5.2613E+00 -1.0581E+01 H1 4574 1.008000 0.423800 1.6835E+01 4.4945E+00 -1.0013E+01 H2 4575 1.008000 0.423800 1.7177E+01 5.3871E+00 -1.1337E+01 O6 4576 15.999400 -0.847600 -8.6825E+00 5.5265E+00 -1.9245E+01 H1 4577 1.008000 0.423800 -8.8189E+00 5.7006E+00 -1.8269E+01 H2 4578 1.008000 0.423800 -8.4356E+00 6.3797E+00 1.9394E+01 O6 4579 15.999400 -0.847600 -1.9056E+01 -1.9342E+01 -1.2999E+00 H1 4580 1.008000 0.423800 1.9073E+01 -1.9140E+01 -1.4480E+00 H2 4581 1.008000 0.423800 -1.8722E+01 -1.8817E+01 -5.1699E-01 O6 4582 15.999400 -0.847600 -8.3821E+00 -1.6948E+01 1.1969E+01 H1 4583 1.008000 0.423800 -8.4666E+00 -1.6506E+01 1.2862E+01 H2 4584 1.008000 0.423800 -9.2904E+00 -1.7199E+01 1.1634E+01 O6 4585 15.999400 -0.847600 1.8507E+00 5.5286E+00 -6.9296E+00 H1 4586 1.008000 0.423800 2.3712E+00 5.1149E+00 -6.1826E+00 H2 4587 1.008000 0.423800 2.4823E+00 5.9063E+00 -7.6066E+00 O6 4588 15.999400 -0.847600 -1.0901E+01 1.3487E+01 1.1851E+01 H1 4589 1.008000 0.423800 -1.0609E+01 1.3005E+01 1.2677E+01 H2 4590 1.008000 0.423800 -1.1898E+01 1.3561E+01 1.1843E+01 O6 4591 15.999400 -0.847600 -1.2937E+01 -3.9741E+00 -4.0157E+00 H1 4592 1.008000 0.423800 -1.3857E+01 -3.7242E+00 -4.3188E+00 H2 4593 1.008000 0.423800 -1.2900E+01 -4.9576E+00 -3.8384E+00 O6 4594 15.999400 -0.847600 8.7108E-01 -1.2524E+01 -1.2118E+01 H1 4595 1.008000 0.423800 3.5988E-01 -1.1791E+01 -1.1669E+01 H2 4596 1.008000 0.423800 9.9729E-01 -1.3282E+01 -1.1479E+01 O6 4597 15.999400 -0.847600 9.1926E+00 1.3064E+01 1.7264E+01 H1 4598 1.008000 0.423800 8.7111E+00 1.3669E+01 1.6630E+01 H2 4599 1.008000 0.423800 8.9481E+00 1.3304E+01 1.8204E+01 O6 4600 15.999400 -0.847600 -1.3727E+01 -1.4148E+01 -9.0168E+00 H1 4601 1.008000 0.423800 -1.3278E+01 -1.3259E+01 -8.9315E+00 H2 4602 1.008000 0.423800 -1.3267E+01 -1.4812E+01 -8.4276E+00 O6 4603 15.999400 -0.847600 1.6441E+01 -2.4309E+00 9.0974E-01 H1 4604 1.008000 0.423800 1.5921E+01 -1.8107E+00 1.4971E+00 H2 4605 1.008000 0.423800 1.7412E+01 -2.3737E+00 1.1416E+00 O6 4606 15.999400 -0.847600 -1.6975E+01 1.4658E+01 -1.6382E+01 H1 4607 1.008000 0.423800 -1.6958E+01 1.4145E+01 -1.7240E+01 H2 4608 1.008000 0.423800 -1.6212E+01 1.4368E+01 -1.5805E+01 O6 4609 15.999400 -0.847600 -2.3152E+00 -7.8081E+00 -1.5480E+01 H1 4610 1.008000 0.423800 -1.6455E+00 -7.5207E+00 -1.6165E+01 H2 4611 1.008000 0.423800 -2.3209E+00 -7.1533E+00 -1.4725E+01 O6 4612 15.999400 -0.847600 6.6844E+00 9.5897E-01 -1.0808E+01 H1 4613 1.008000 0.423800 6.3414E+00 6.4854E-02 -1.1096E+01 H2 4614 1.008000 0.423800 6.3068E+00 1.1874E+00 -9.9107E+00 O6 4615 15.999400 -0.847600 -4.6401E+00 1.3466E+00 1.3685E+01 H1 4616 1.008000 0.423800 -4.1390E+00 2.0760E+00 1.4151E+01 H2 4617 1.008000 0.423800 -3.9949E+00 7.5622E-01 1.3200E+01 O6 4618 15.999400 -0.847600 1.0849E+00 -2.3013E+00 -1.8183E+01 H1 4619 1.008000 0.423800 1.9809E+00 -1.8650E+00 -1.8100E+01 H2 4620 1.008000 0.423800 7.2018E-01 -2.1409E+00 -1.9100E+01 O6 4621 15.999400 -0.847600 3.1046E+00 3.9604E+00 -1.3723E+01 H1 4622 1.008000 0.423800 2.8327E+00 3.0498E+00 -1.3411E+01 H2 4623 1.008000 0.423800 2.8729E+00 4.6352E+00 -1.3022E+01 O6 4624 15.999400 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-1.6828E+01 -7.6771E+00 6.1481E+00 H2 4641 1.008000 0.423800 -1.6206E+01 -7.5408E+00 4.6442E+00 O6 4642 15.999400 -0.847600 4.9037E+00 1.6920E+01 -1.2150E+01 H1 4643 1.008000 0.423800 4.5853E+00 1.6012E+01 -1.1879E+01 H2 4644 1.008000 0.423800 5.8253E+00 1.6850E+01 -1.2532E+01 O6 4645 15.999400 -0.847600 4.8462E+00 -1.9126E+01 -3.6910E+00 H1 4646 1.008000 0.423800 5.3014E+00 1.9098E+01 -3.8644E+00 H2 4647 1.008000 0.423800 4.9920E+00 -1.8514E+01 -4.4683E+00 O6 4648 15.999400 -0.847600 -1.0940E+01 1.6356E+01 1.1666E+01 H1 4649 1.008000 0.423800 -1.1800E+01 1.6402E+01 1.2175E+01 H2 4650 1.008000 0.423800 -1.1049E+01 1.5746E+01 1.0881E+01 O6 4651 15.999400 -0.847600 -1.3386E+01 -1.1291E+01 1.2201E+01 H1 4652 1.008000 0.423800 -1.4116E+01 -1.0627E+01 1.2363E+01 H2 4653 1.008000 0.423800 -1.3155E+01 -1.1301E+01 1.1228E+01 O6 4654 15.999400 -0.847600 -6.8022E+00 4.8053E+00 7.2537E+00 H1 4655 1.008000 0.423800 -6.5770E+00 5.5187E+00 7.9173E+00 H2 4656 1.008000 0.423800 -7.5541E+00 4.2479E+00 7.6058E+00 O6 4657 15.999400 -0.847600 -1.3071E+01 1.2040E+01 -4.2538E+00 H1 4658 1.008000 0.423800 -1.2867E+01 1.1141E+01 -3.8666E+00 H2 4659 1.008000 0.423800 -1.2768E+01 1.2752E+01 -3.6203E+00 O6 4660 15.999400 -0.847600 9.7088E+00 1.8547E+01 -7.3856E+00 H1 4661 1.008000 0.423800 9.5826E+00 1.8605E+01 -6.3953E+00 H2 4662 1.008000 0.423800 1.0545E+01 1.8036E+01 -7.5854E+00 O6 4663 15.999400 -0.847600 1.2007E+01 -1.7236E+01 3.8080E+00 H1 4664 1.008000 0.423800 1.1869E+01 -1.7637E+01 2.9025E+00 H2 4665 1.008000 0.423800 1.2829E+01 -1.6666E+01 3.7982E+00 O6 4666 15.999400 -0.847600 -1.0633E+01 -1.4661E+01 -9.6008E-01 H1 4667 1.008000 0.423800 -1.0371E+01 -1.4807E+01 -6.1210E-03 H2 4668 1.008000 0.423800 -1.0506E+01 -1.3698E+01 -1.1968E+00 O6 4669 15.999400 -0.847600 1.8326E+01 1.9264E+01 4.9391E+00 H1 4670 1.008000 0.423800 1.8225E+01 1.9429E+01 5.9203E+00 H2 4671 1.008000 0.423800 1.8434E+01 1.8284E+01 4.7757E+00 O6 4672 15.999400 -0.847600 -1.8894E+00 -2.0519E-01 3.6587E+00 H1 4673 1.008000 0.423800 -1.5895E+00 6.8168E-01 4.0101E+00 H2 4674 1.008000 0.423800 -1.0901E+00 -7.6975E-01 3.4529E+00 O6 4675 15.999400 -0.847600 -1.9425E+01 -1.5166E+01 1.7834E+01 H1 4676 1.008000 0.423800 1.8795E+01 -1.5073E+01 1.7364E+01 H2 4677 1.008000 0.423800 -1.9255E+01 -1.4350E+01 1.8387E+01 O6 4678 15.999400 -0.847600 -4.9961E+00 -4.7400E+00 1.6716E+01 H1 4679 1.008000 0.423800 -5.4612E+00 -5.3399E+00 1.7367E+01 H2 4680 1.008000 0.423800 -4.6428E+00 -3.9372E+00 1.7196E+01 O6 4681 15.999400 -0.847600 -1.8642E+01 6.5990E+00 -3.7028E+00 H1 4682 1.008000 0.423800 -1.9144E+01 5.7382E+00 -3.6200E+00 H2 4683 1.008000 0.423800 -1.8854E+01 7.1851E+00 -2.9208E+00 O6 4684 15.999400 -0.847600 -2.0609E-02 -2.3855E+00 3.4242E+00 H1 4685 1.008000 0.423800 -1.6198E-01 -2.6933E+00 4.3651E+00 H2 4686 1.008000 0.423800 8.1621E-01 -2.7956E+00 3.0615E+00 O6 4687 15.999400 -0.847600 1.5922E+01 -7.7531E+00 -2.2013E+00 H1 4688 1.008000 0.423800 1.5945E+01 -7.9334E+00 -3.1846E+00 H2 4689 1.008000 0.423800 1.6707E+01 -7.1873E+00 -1.9478E+00 O6 4690 15.999400 -0.847600 -1.7452E+01 -6.1270E-01 1.1079E+01 H1 4691 1.008000 0.423800 -1.7684E+01 -1.5127E+00 1.1448E+01 H2 4692 1.008000 0.423800 -1.6966E+01 -7.2312E-01 1.0211E+01 O6 4693 15.999400 -0.847600 1.3407E-01 4.2874E+00 -1.5134E+01 H1 4694 1.008000 0.423800 7.4020E-01 3.5136E+00 -1.5318E+01 H2 4695 1.008000 0.423800 -7.2886E-02 4.7598E+00 -1.5991E+01 O6 4696 15.999400 -0.847600 -1.8548E+01 -1.9480E+01 -1.6220E+01 H1 4697 1.008000 0.423800 -1.7837E+01 1.8919E+01 -1.6142E+01 H2 4698 1.008000 0.423800 -1.8794E+01 -1.9152E+01 -1.5307E+01 O6 4699 15.999400 -0.847600 -7.8735E+00 -1.8425E+01 -1.0718E+01 H1 4700 1.008000 0.423800 -8.6645E+00 -1.8983E+01 -1.0968E+01 H2 4701 1.008000 0.423800 -7.5503E+00 -1.8692E+01 -9.8102E+00 O6 4702 15.999400 -0.847600 -1.6985E+01 6.6998E+00 -1.5264E+01 H1 4703 1.008000 0.423800 -1.7828E+01 7.2097E+00 -1.5094E+01 H2 4704 1.008000 0.423800 -1.6658E+01 6.3005E+00 -1.4408E+01 O6 4705 15.999400 -0.847600 1.6050E+01 -8.5458E+00 1.1503E+01 H1 4706 1.008000 0.423800 1.5413E+01 -7.8019E+00 1.1705E+01 H2 4707 1.008000 0.423800 1.6969E+01 -8.1725E+00 1.1376E+01 O6 4708 15.999400 -0.847600 -1.1203E+01 1.6964E+01 -1.6195E+00 H1 4709 1.008000 0.423800 -1.1702E+01 1.6220E+01 -1.1751E+00 H2 4710 1.008000 0.423800 -1.1853E+01 1.7588E+01 -2.0534E+00 O6 4711 15.999400 -0.847600 6.3484E+00 1.8416E+01 8.1712E-01 H1 4712 1.008000 0.423800 6.5870E+00 1.8308E+01 -1.4800E-01 H2 4713 1.008000 0.423800 5.3538E+00 1.8396E+01 9.1881E-01 O6 4714 15.999400 -0.847600 -1.4894E+01 5.8727E+00 3.9976E+00 H1 4715 1.008000 0.423800 -1.4946E+01 5.1386E+00 4.6747E+00 H2 4716 1.008000 0.423800 -1.5007E+01 6.7554E+00 4.4537E+00 O6 4717 15.999400 -0.847600 -1.5123E+00 1.6754E+01 1.6215E+01 H1 4718 1.008000 0.423800 -2.2325E+00 1.7345E+01 1.5852E+01 H2 4719 1.008000 0.423800 -6.2090E-01 1.7088E+01 1.5909E+01 O6 4720 15.999400 -0.847600 -1.3778E+01 3.4684E+00 -1.1593E+01 H1 4721 1.008000 0.423800 -1.2982E+01 2.9692E+00 -1.1935E+01 H2 4722 1.008000 0.423800 -1.3824E+01 4.3645E+00 -1.2035E+01 O6 4723 15.999400 -0.847600 -1.7800E+01 1.3215E+01 1.0733E+01 H1 4724 1.008000 0.423800 -1.8056E+01 1.2514E+01 1.1399E+01 H2 4725 1.008000 0.423800 -1.8104E+01 1.2937E+01 9.8221E+00 O6 4726 15.999400 -0.847600 -1.5141E+01 1.8197E+01 1.2454E+01 H1 4727 1.008000 0.423800 -1.6128E+01 1.8309E+01 1.2339E+01 H2 4728 1.008000 0.423800 -1.4808E+01 1.8854E+01 1.3130E+01 O6 4729 15.999400 -0.847600 -9.6742E+00 -9.2745E+00 1.1222E+01 H1 4730 1.008000 0.423800 -9.0519E+00 -8.8828E+00 1.0544E+01 H2 4731 1.008000 0.423800 -9.7448E+00 -1.0262E+01 1.1078E+01 O6 4732 15.999400 -0.847600 1.8745E+01 3.7409E+00 -8.9141E+00 H1 4733 1.008000 0.423800 -1.9371E+01 3.6064E+00 -9.0544E+00 H2 4734 1.008000 0.423800 1.8582E+01 4.6657E+00 -8.5708E+00 O6 4735 15.999400 -0.847600 1.2107E+01 -4.1283E+00 7.1222E+00 H1 4736 1.008000 0.423800 1.2889E+01 -4.5652E+00 6.6788E+00 H2 4737 1.008000 0.423800 1.1335E+01 -4.7637E+00 7.1371E+00 O6 4738 15.999400 -0.847600 -1.1023E+00 -1.4007E+01 6.0346E+00 H1 4739 1.008000 0.423800 -4.2305E-01 -1.4212E+01 6.7392E+00 H2 4740 1.008000 0.423800 -1.0528E+00 -1.4698E+01 5.3129E+00 O6 4741 15.999400 -0.847600 1.1126E+01 8.0117E+00 -7.8443E+00 H1 4742 1.008000 0.423800 1.1258E+01 7.0206E+00 -7.8281E+00 H2 4743 1.008000 0.423800 1.1746E+01 8.4199E+00 -8.5136E+00 O6 4744 15.999400 -0.847600 1.5384E+01 -9.8869E+00 -6.5111E-01 H1 4745 1.008000 0.423800 1.5621E+01 -9.7452E+00 3.1004E-01 H2 4746 1.008000 0.423800 1.5542E+01 -9.0414E+00 -1.1613E+00 O6 4747 15.999400 -0.847600 1.4590E+01 1.0298E+01 8.8215E+00 H1 4748 1.008000 0.423800 1.5392E+01 9.8520E+00 8.4237E+00 H2 4749 1.008000 0.423800 1.4789E+01 1.1266E+01 8.9753E+00 O6 4750 15.999400 -0.847600 9.7537E+00 -1.4175E+01 -5.0867E+00 H1 4751 1.008000 0.423800 9.9685E+00 -1.4712E+01 -5.9024E+00 H2 4752 1.008000 0.423800 1.0259E+01 -1.3313E+01 -5.1131E+00 O6 4753 15.999400 -0.847600 1.7855E+01 -1.8345E+01 9.9041E+00 H1 4754 1.008000 0.423800 1.7229E+01 -1.7919E+01 1.0557E+01 H2 4755 1.008000 0.423800 1.8798E+01 -1.8129E+01 1.0157E+01 O6 4756 15.999400 -0.847600 -8.9660E+00 2.3055E+00 3.2291E+00 H1 4757 1.008000 0.423800 -9.4868E+00 2.1087E+00 2.3984E+00 H2 4758 1.008000 0.423800 -8.5297E+00 1.4671E+00 3.5554E+00 O6 4759 15.999400 -0.847600 3.8311E+00 8.7926E+00 -6.2569E+00 H1 4760 1.008000 0.423800 3.7689E+00 8.5040E+00 -5.3014E+00 H2 4761 1.008000 0.423800 4.7894E+00 8.7950E+00 -6.5426E+00 O6 4762 15.999400 -0.847600 8.5880E+00 -1.4110E+01 1.5270E+01 H1 4763 1.008000 0.423800 9.5353E+00 -1.4122E+01 1.5590E+01 H2 4764 1.008000 0.423800 8.2221E+00 -1.5041E+01 1.5278E+01 O6 4765 15.999400 -0.847600 -2.4328E+00 -1.6702E+00 -7.5331E+00 H1 4766 1.008000 0.423800 -2.9491E+00 -9.9910E-01 -7.0011E+00 H2 4767 1.008000 0.423800 -3.0445E+00 -2.4048E+00 -7.8265E+00 O6 4768 15.999400 -0.847600 1.3838E+01 1.1427E-01 -4.3276E+00 H1 4769 1.008000 0.423800 1.3839E+01 -6.5298E-01 -3.6863E+00 H2 4770 1.008000 0.423800 1.3052E+01 7.0361E-01 -4.1411E+00 O6 4771 15.999400 -0.847600 1.4561E+01 1.1910E+01 1.5566E+01 H1 4772 1.008000 0.423800 1.5068E+01 1.1786E+01 1.4713E+01 H2 4773 1.008000 0.423800 1.3609E+01 1.2133E+01 1.5357E+01 O6 4774 15.999400 -0.847600 -1.5572E+01 1.3711E+01 -2.5160E+00 H1 4775 1.008000 0.423800 -1.5738E+01 1.4607E+01 -2.1028E+00 H2 4776 1.008000 0.423800 -1.4750E+01 1.3753E+01 -3.0827E+00 O6 4777 15.999400 -0.847600 1.3781E+00 -1.9568E+00 1.1546E+01 H1 4778 1.008000 0.423800 6.7493E-01 -2.6217E+00 1.1294E+01 H2 4779 1.008000 0.423800 2.1679E+00 -2.4360E+00 1.1929E+01 O6 4780 15.999400 -0.847600 -1.8433E+01 1.4247E+01 5.0307E+00 H1 4781 1.008000 0.423800 -1.8750E+01 1.3493E+01 5.6068E+00 H2 4782 1.008000 0.423800 -1.7873E+01 1.4870E+01 5.5760E+00 O6 4783 15.999400 -0.847600 9.3436E+00 2.1223E+00 1.2215E+01 H1 4784 1.008000 0.423800 8.4303E+00 2.2468E+00 1.2603E+01 H2 4785 1.008000 0.423800 9.8071E+00 1.3729E+00 1.2688E+01 O6 4786 15.999400 -0.847600 -2.7644E+00 -1.5231E+01 -8.1433E+00 H1 4787 1.008000 0.423800 -3.2239E+00 -1.5360E+01 -9.0222E+00 H2 4788 1.008000 0.423800 -3.1219E+00 -1.4411E+01 -7.6969E+00 O6 4789 15.999400 -0.847600 1.6090E+01 -1.9452E+01 3.1547E+00 H1 4790 1.008000 0.423800 1.5097E+01 1.9529E+01 3.1539E+00 H2 4791 1.008000 0.423800 1.6476E+01 1.9209E+01 3.9674E+00 O6 4792 15.999400 -0.847600 9.3112E+00 -6.6512E-01 -1.7670E+01 H1 4793 1.008000 0.423800 8.8126E+00 -1.2590E+00 -1.7039E+01 H2 4794 1.008000 0.423800 9.8495E+00 -2.3922E-03 -1.7150E+01 O6 4795 15.999400 -0.847600 9.9018E-01 -1.1740E+01 -1.7525E+01 H1 4796 1.008000 0.423800 7.0381E-01 -1.2348E+01 -1.6784E+01 H2 4797 1.008000 0.423800 3.2490E-01 -1.1787E+01 -1.8270E+01 O6 4798 15.999400 -0.847600 1.2841E+01 -1.9868E+00 -1.7255E+01 H1 4799 1.008000 0.423800 1.2232E+01 -2.6329E+00 -1.6794E+01 H2 4800 1.008000 0.423800 1.2989E+01 -2.2837E+00 -1.8198E+01 O6 4801 15.999400 -0.847600 7.1449E+00 1.6548E+01 -1.3793E+01 H1 4802 1.008000 0.423800 7.9581E+00 1.6479E+01 -1.3215E+01 H2 4803 1.008000 0.423800 7.4167E+00 1.6526E+01 -1.4755E+01 O6 4804 15.999400 -0.847600 1.9229E+01 1.7675E+01 -4.7646E+00 H1 4805 1.008000 0.423800 1.8498E+01 1.7015E+01 -4.9351E+00 H2 4806 1.008000 0.423800 -1.9380E+01 1.7424E+01 -3.9288E+00 O6 4807 15.999400 -0.847600 6.1362E+00 2.5413E+00 -1.3096E+01 H1 4808 1.008000 0.423800 6.3135E+00 1.9279E+00 -1.2326E+01 H2 4809 1.008000 0.423800 5.4710E+00 2.1195E+00 -1.3712E+01 O6 4810 15.999400 -0.847600 -1.6035E+01 1.2482E+01 1.4265E+01 H1 4811 1.008000 0.423800 -1.5254E+01 1.2756E+01 1.3704E+01 H2 4812 1.008000 0.423800 -1.6559E+01 1.3292E+01 1.4527E+01 O6 4813 15.999400 -0.847600 -9.1050E+00 3.9639E+00 1.3884E+01 H1 4814 1.008000 0.423800 -9.0872E+00 3.0093E+00 1.4182E+01 H2 4815 1.008000 0.423800 -9.3300E+00 4.5510E+00 1.4662E+01 O6 4816 15.999400 -0.847600 1.6655E+01 1.7827E+01 -1.5171E+01 H1 4817 1.008000 0.423800 1.6994E+01 1.8664E+01 -1.5600E+01 H2 4818 1.008000 0.423800 1.5892E+01 1.8049E+01 -1.4564E+01 O6 4819 15.999400 -0.847600 -1.8838E+01 -6.8830E+00 1.5873E+01 H1 4820 1.008000 0.423800 -1.9518E+01 -6.7010E+00 1.5163E+01 H2 4821 1.008000 0.423800 -1.8174E+01 -6.1353E+00 1.5898E+01 O6 4822 15.999400 -0.847600 2.1981E-01 1.3407E+01 3.9682E+00 H1 4823 1.008000 0.423800 2.0378E-01 1.3132E+01 3.0068E+00 H2 4824 1.008000 0.423800 1.0380E+00 1.3954E+01 4.1446E+00 O6 4825 15.999400 -0.847600 -1.2395E+01 -1.4963E+01 -2.9112E+00 H1 4826 1.008000 0.423800 -1.2459E+01 -1.5855E+01 -3.3586E+00 H2 4827 1.008000 0.423800 -1.1632E+01 -1.4968E+01 -2.2649E+00 O6 4828 15.999400 -0.847600 -4.7643E+00 4.9427E+00 -3.7523E+00 H1 4829 1.008000 0.423800 -4.3466E+00 4.6011E+00 -4.5943E+00 H2 4830 1.008000 0.423800 -4.3249E+00 4.5121E+00 -2.9639E+00 O6 4831 15.999400 -0.847600 1.1395E+01 -4.2696E+00 -1.1349E+01 H1 4832 1.008000 0.423800 1.1063E+01 -3.4002E+00 -1.0983E+01 H2 4833 1.008000 0.423800 1.1059E+01 -4.3880E+00 -1.2283E+01 O6 4834 15.999400 -0.847600 -1.7023E+01 -4.8081E+00 -6.3203E+00 H1 4835 1.008000 0.423800 -1.7397E+01 -5.6552E+00 -5.9425E+00 H2 4836 1.008000 0.423800 -1.6494E+01 -4.3343E+00 -5.6165E+00 O6 4837 15.999400 -0.847600 1.9482E+01 4.4988E+00 4.0197E+00 H1 4838 1.008000 0.423800 1.9298E+01 5.0111E+00 4.8587E+00 H2 4839 1.008000 0.423800 -1.8644E+01 4.5678E+00 3.7935E+00 O6 4840 15.999400 -0.847600 -1.1976E+01 -1.0125E+01 -6.5578E+00 H1 4841 1.008000 0.423800 -1.1147E+01 -1.0205E+01 -6.0038E+00 H2 4842 1.008000 0.423800 -1.2058E+01 -9.1895E+00 -6.9021E+00 O6 4843 15.999400 -0.847600 4.7519E+00 1.3198E+01 -7.0730E+00 H1 4844 1.008000 0.423800 4.5677E+00 1.2770E+01 -6.1882E+00 H2 4845 1.008000 0.423800 4.1672E+00 1.4002E+01 -7.1823E+00 O6 4846 15.999400 -0.847600 -9.9952E-01 -1.7716E+01 1.7175E+01 H1 4847 1.008000 0.423800 -1.2426E+00 -1.8427E+01 1.7835E+01 H2 4848 1.008000 0.423800 -9.8509E-01 -1.8106E+01 1.6254E+01 O6 4849 15.999400 -0.847600 1.0113E+01 -9.3844E+00 -1.0579E+01 H1 4850 1.008000 0.423800 1.0062E+01 -8.4053E+00 -1.0382E+01 H2 4851 1.008000 0.423800 1.0789E+01 -9.5449E+00 -1.1298E+01 O6 4852 15.999400 -0.847600 -9.5019E+00 -1.3244E+01 1.5427E+01 H1 4853 1.008000 0.423800 -1.0436E+01 -1.2887E+01 1.5439E+01 H2 4854 1.008000 0.423800 -9.0039E+00 -1.2901E+01 1.6224E+01 O6 4855 15.999400 -0.847600 -1.3083E+01 4.7643E+00 -4.4717E+00 H1 4856 1.008000 0.423800 -1.3041E+01 4.0866E+00 -3.7375E+00 H2 4857 1.008000 0.423800 -1.2842E+01 5.6644E+00 -4.1087E+00 O6 4858 15.999400 -0.847600 6.9146E+00 -1.9475E+01 1.9518E+01 H1 4859 1.008000 0.423800 6.1641E+00 1.8963E+01 -1.9538E+01 H2 4860 1.008000 0.423800 7.2029E+00 -1.9239E+01 -1.8652E+01 O6 4861 15.999400 -0.847600 1.8525E+01 -7.7163E+00 1.0760E+01 H1 4862 1.008000 0.423800 1.8977E+01 -8.2561E+00 1.1470E+01 H2 4863 1.008000 0.423800 1.8978E+01 -6.8285E+00 1.0678E+01 O6 4864 15.999400 -0.847600 1.4159E+01 -6.0667E+00 -9.2740E-01 H1 4865 1.008000 0.423800 1.4622E+01 -6.8351E+00 -1.3690E+00 H2 4866 1.008000 0.423800 1.3286E+01 -5.8957E+00 -1.3855E+00 O6 4867 15.999400 -0.847600 6.6216E+00 -4.8502E+00 3.2438E+00 H1 4868 1.008000 0.423800 6.3115E+00 -3.9937E+00 3.6565E+00 H2 4869 1.008000 0.423800 6.5488E+00 -4.7861E+00 2.2486E+00 O6 4870 15.999400 -0.847600 -1.5787E+01 -1.0347E+01 1.8214E+01 H1 4871 1.008000 0.423800 -1.5447E+01 -1.0323E+01 1.9155E+01 H2 4872 1.008000 0.423800 -1.6509E+01 -9.6637E+00 1.8104E+01 O6 4873 15.999400 -0.847600 -1.7510E+01 1.5193E+01 1.2618E+01 H1 4874 1.008000 0.423800 -1.7247E+01 1.4501E+01 1.1946E+01 H2 4875 1.008000 0.423800 -1.6983E+01 1.5060E+01 1.3457E+01 O6 4876 15.999400 -0.847600 -1.8628E+00 -8.9127E+00 -1.2016E+01 H1 4877 1.008000 0.423800 -2.5362E+00 -8.2861E+00 -1.1623E+01 H2 4878 1.008000 0.423800 -1.3115E+00 -8.4271E+00 -1.2694E+01 O6 4879 15.999400 -0.847600 -1.7159E+01 -7.0432E+00 -1.9506E+01 H1 4880 1.008000 0.423800 -1.7511E+01 -7.8145E+00 1.9061E+01 H2 4881 1.008000 0.423800 -1.7672E+01 -6.9666E+00 -1.8651E+01 O6 4882 15.999400 -0.847600 1.6315E+01 2.4461E+00 -1.2767E+00 H1 4883 1.008000 0.423800 1.6243E+01 2.3543E+00 -2.2699E+00 H2 4884 1.008000 0.423800 1.6424E+01 3.4111E+00 -1.0382E+00 O6 4885 15.999400 -0.847600 -8.2818E+00 -1.7781E+01 1.9460E+01 H1 4886 1.008000 0.423800 -7.4796E+00 -1.8197E+01 -1.9209E+01 H2 4887 1.008000 0.423800 -9.0622E+00 -1.7844E+01 -1.9015E+01 O6 4888 15.999400 -0.847600 1.3973E+01 -4.3862E+00 -1.0969E+01 H1 4889 1.008000 0.423800 1.4471E+01 -3.7439E+00 -1.1552E+01 H2 4890 1.008000 0.423800 1.2991E+01 -4.2905E+00 -1.1129E+01 O6 4891 15.999400 -0.847600 -7.0037E+00 -7.6739E+00 -4.0053E+00 H1 4892 1.008000 0.423800 -6.4573E+00 -8.4739E+00 -3.7574E+00 H2 4893 1.008000 0.423800 -7.8007E+00 -7.9655E+00 -4.5342E+00 O6 4894 15.999400 -0.847600 1.0127E+01 -5.9075E-01 1.9000E+01 H1 4895 1.008000 0.423800 9.6965E+00 -5.8881E-01 -1.9195E+01 H2 4896 1.008000 0.423800 1.1121E+01 -6.0250E-01 1.9105E+01 O6 4897 15.999400 -0.847600 -1.6080E+01 1.7776E+01 -5.6264E+00 H1 4898 1.008000 0.423800 -1.5509E+01 1.6955E+01 -5.6383E+00 H2 4899 1.008000 0.423800 -1.6668E+01 1.7761E+01 -4.8180E+00 O6 4900 15.999400 -0.847600 -5.8861E+00 1.7985E+01 1.6045E+01 H1 4901 1.008000 0.423800 -5.9121E+00 1.8839E+01 1.6563E+01 H2 4902 1.008000 0.423800 -6.8073E+00 1.7599E+01 1.5991E+01 O6 4903 15.999400 -0.847600 8.6959E-01 -1.9333E+01 -1.6182E+01 H1 4904 1.008000 0.423800 1.0069E+00 1.8938E+01 -1.5636E+01 H2 4905 1.008000 0.423800 2.7862E-01 -1.8699E+01 -1.5683E+01 O6 4906 15.999400 -0.847600 -6.8220E+00 -1.6190E+01 2.9665E+00 H1 4907 1.008000 0.423800 -7.5131E+00 -1.6692E+01 3.4865E+00 H2 4908 1.008000 0.423800 -6.3596E+00 -1.5539E+01 3.5686E+00 O6 4909 15.999400 -0.847600 6.9923E-02 -7.3325E+00 -1.3137E+01 H1 4910 1.008000 0.423800 3.9969E-01 -6.4040E+00 -1.2967E+01 H2 4911 1.008000 0.423800 7.9676E-01 -7.9875E+00 -1.2931E+01 O6 4912 15.999400 -0.847600 1.4380E+01 -1.5341E+01 1.1368E+01 H1 4913 1.008000 0.423800 1.3761E+01 -1.6085E+01 1.1117E+01 H2 4914 1.008000 0.423800 1.4240E+01 -1.4568E+01 1.0749E+01 O6 4915 15.999400 -0.847600 -1.8935E+00 7.1841E+00 -7.9801E+00 H1 4916 1.008000 0.423800 -1.5797E+00 7.0549E+00 -8.9208E+00 H2 4917 1.008000 0.423800 -2.8551E+00 6.9188E+00 -7.9102E+00 O6 4918 15.999400 -0.847600 -2.7127E-01 -1.3426E+01 -5.0697E+00 H1 4919 1.008000 0.423800 -9.8805E-01 -1.3043E+01 -5.6525E+00 H2 4920 1.008000 0.423800 4.0288E-01 -1.2718E+01 -4.8614E+00 O6 4921 15.999400 -0.847600 -1.7534E+01 -1.8283E+01 6.6655E+00 H1 4922 1.008000 0.423800 -1.8033E+01 -1.8432E+01 5.8121E+00 H2 4923 1.008000 0.423800 -1.7609E+01 -1.7322E+01 6.9315E+00 O6 4924 15.999400 -0.847600 -1.9170E+01 -1.2020E+01 8.9271E+00 H1 4925 1.008000 0.423800 -1.9358E+01 -1.1985E+01 9.9085E+00 H2 4926 1.008000 0.423800 -1.8986E+01 -1.1097E+01 8.5897E+00 O6 4927 15.999400 -0.847600 -1.2474E+01 1.2409E-01 2.4350E+00 H1 4928 1.008000 0.423800 -1.2476E+01 8.0442E-01 3.1679E+00 H2 4929 1.008000 0.423800 -1.2765E+01 -7.6019E-01 2.8005E+00 O6 4930 15.999400 -0.847600 3.7424E+00 1.5409E+00 1.3387E+01 H1 4931 1.008000 0.423800 3.3608E+00 8.0002E-01 1.3939E+01 H2 4932 1.008000 0.423800 3.9259E+00 2.3317E+00 1.3970E+01 O6 4933 15.999400 -0.847600 -8.9281E+00 -1.7004E+01 4.5862E+00 H1 4934 1.008000 0.423800 -9.7254E+00 -1.7554E+01 4.3361E+00 H2 4935 1.008000 0.423800 -9.1975E+00 -1.6311E+01 5.2545E+00 O6 4936 15.999400 -0.847600 -1.2706E+01 -1.6740E+01 -1.8186E+01 H1 4937 1.008000 0.423800 -1.2345E+01 -1.5812E+01 -1.8099E+01 H2 4938 1.008000 0.423800 -1.3299E+01 -1.6942E+01 -1.7407E+01 O6 4939 15.999400 -0.847600 1.8022E+01 1.3871E+01 -1.4525E+01 H1 4940 1.008000 0.423800 1.7453E+01 1.3271E+01 -1.3963E+01 H2 4941 1.008000 0.423800 1.7494E+01 1.4193E+01 -1.5311E+01 O6 4942 15.999400 -0.847600 9.2983E+00 -1.1378E+01 1.4159E+01 H1 4943 1.008000 0.423800 9.1524E+00 -1.2251E+01 1.4624E+01 H2 4944 1.008000 0.423800 8.9216E+00 -1.1426E+01 1.3234E+01 O6 4945 15.999400 -0.847600 1.0530E+01 -1.4806E+01 1.0181E+01 H1 4946 1.008000 0.423800 1.0203E+01 -1.5750E+01 1.0145E+01 H2 4947 1.008000 0.423800 1.0659E+01 -1.4534E+01 1.1134E+01 O6 4948 15.999400 -0.847600 -5.6845E+00 -2.8373E+00 1.4790E+01 H1 4949 1.008000 0.423800 -5.6436E+00 -3.5626E+00 1.5477E+01 H2 4950 1.008000 0.423800 -4.9326E+00 -2.9507E+00 1.4141E+01 O6 4951 15.999400 -0.847600 1.8274E+01 -4.0410E+00 -1.4863E+01 H1 4952 1.008000 0.423800 1.8680E+01 -4.9389E+00 -1.4692E+01 H2 4953 1.008000 0.423800 1.7291E+01 -4.1431E+00 -1.5016E+01 O6 4954 15.999400 -0.847600 -1.1600E+01 -8.7649E+00 1.0083E+00 H1 4955 1.008000 0.423800 -1.1498E+01 -7.8827E+00 1.4679E+00 H2 4956 1.008000 0.423800 -1.2264E+01 -9.3245E+00 1.5048E+00 O6 4957 15.999400 -0.847600 1.8988E+01 1.8755E+01 1.8081E+01 H1 4958 1.008000 0.423800 1.9052E+01 1.8096E+01 1.8830E+01 H2 4959 1.008000 0.423800 1.8028E+01 1.8884E+01 1.7831E+01 O6 4960 15.999400 -0.847600 4.6640E+00 3.3542E+00 1.5272E+01 H1 4961 1.008000 0.423800 4.4242E+00 3.4651E+00 1.6237E+01 H2 4962 1.008000 0.423800 4.7452E+00 4.2539E+00 1.4843E+01 O6 4963 15.999400 -0.847600 4.6014E+00 -1.7429E+01 2.6171E-01 H1 4964 1.008000 0.423800 5.4524E+00 -1.7686E+01 -1.9617E-01 H2 4965 1.008000 0.423800 4.7628E+00 -1.7350E+01 1.2455E+00 O6 4966 15.999400 -0.847600 3.9314E+00 -1.4241E+01 -8.9489E+00 H1 4967 1.008000 0.423800 4.1304E+00 -1.3969E+01 -8.0073E+00 H2 4968 1.008000 0.423800 4.4520E+00 -1.3665E+01 -9.5792E+00 O6 4969 15.999400 -0.847600 1.0879E+01 -1.8108E+01 -1.1355E+01 H1 4970 1.008000 0.423800 1.0757E+01 -1.7120E+01 -1.1253E+01 H2 4971 1.008000 0.423800 1.1556E+01 -1.8430E+01 -1.0694E+01 O6 4972 15.999400 -0.847600 1.3749E+01 -1.7382E+01 -3.3062E+00 H1 4973 1.008000 0.423800 1.3141E+01 -1.6912E+01 -3.9463E+00 H2 4974 1.008000 0.423800 1.4674E+01 -1.7010E+01 -3.3924E+00 O6 4975 15.999400 -0.847600 -8.0679E+00 -1.9303E+00 -1.0072E+01 H1 4976 1.008000 0.423800 -7.6958E+00 -2.8444E+00 -1.0233E+01 H2 4977 1.008000 0.423800 -7.3309E+00 -1.2565E+00 -1.0125E+01 O6 4978 15.999400 -0.847600 -1.0957E+01 2.8789E+00 -1.1843E+01 H1 4979 1.008000 0.423800 -1.0535E+01 3.7710E+00 -1.1683E+01 H2 4980 1.008000 0.423800 -1.0595E+01 2.2159E+00 -1.1188E+01 O6 4981 15.999400 -0.847600 -1.4968E+01 5.7872E+00 1.4931E+01 H1 4982 1.008000 0.423800 -1.4889E+01 6.3912E+00 1.5724E+01 H2 4983 1.008000 0.423800 -1.4087E+01 5.3478E+00 1.4758E+01 O6 4984 15.999400 -0.847600 1.3488E+01 2.7475E+00 1.1344E+01 H1 4985 1.008000 0.423800 1.3485E+01 2.3187E+00 1.0441E+01 H2 4986 1.008000 0.423800 1.2652E+01 3.2845E+00 1.1460E+01 O6 4987 15.999400 -0.847600 -1.6040E-01 7.8335E+00 -1.0604E+01 H1 4988 1.008000 0.423800 7.8638E-01 8.1495E+00 -1.0666E+01 H2 4989 1.008000 0.423800 -7.7463E-01 8.5583E+00 -1.0916E+01 O6 4990 15.999400 -0.847600 -4.8204E+00 -1.3517E+01 -6.0268E+00 H1 4991 1.008000 0.423800 -4.6818E+00 -1.4351E+01 -5.4939E+00 H2 4992 1.008000 0.423800 -5.3756E+00 -1.2873E+01 -5.4998E+00 O6 4993 15.999400 -0.847600 -1.4176E+01 -5.3876E+00 7.5467E+00 H1 4994 1.008000 0.423800 -1.4352E+01 -4.5774E+00 8.1059E+00 H2 4995 1.008000 0.423800 -1.4695E+01 -6.1620E+00 7.9099E+00 O6 4996 15.999400 -0.847600 -4.7024E+00 -1.2139E+01 5.5819E+00 H1 4997 1.008000 0.423800 -3.7394E+00 -1.1938E+01 5.7610E+00 H2 4998 1.008000 0.423800 -5.2530E+00 -1.1325E+01 5.7675E+00 O6 4999 15.999400 -0.847600 -9.3823E+00 1.6544E+01 -1.9326E+01 H1 5000 1.008000 0.423800 -9.8859E+00 1.7281E+01 -1.8875E+01 H2 5001 1.008000 0.423800 -8.4046E+00 1.6754E+01 -1.9316E+01 O6 5002 15.999400 -0.847600 8.3806E-01 1.2298E+01 1.1786E+01 H1 5003 1.008000 0.423800 6.5661E-01 1.1792E+01 1.2629E+01 H2 5004 1.008000 0.423800 1.0188E+00 1.1654E+01 1.1043E+01 O6 5005 15.999400 -0.847600 1.7013E+01 -1.0663E+01 5.9778E+00 H1 5006 1.008000 0.423800 1.7529E+01 -9.8166E+00 5.8456E+00 H2 5007 1.008000 0.423800 1.7647E+01 -1.1417E+01 6.1490E+00 O6 5008 15.999400 -0.847600 6.5680E+00 -9.6705E+00 2.6016E+00 H1 5009 1.008000 0.423800 6.2096E+00 -1.0465E+01 3.0923E+00 H2 5010 1.008000 0.423800 7.2265E+00 -9.9737E+00 1.9128E+00 O6 5011 15.999400 -0.847600 -1.6470E+01 -1.7362E+01 -1.1833E+01 H1 5012 1.008000 0.423800 -1.6089E+01 -1.7012E+01 -1.0977E+01 H2 5013 1.008000 0.423800 -1.6466E+01 -1.8362E+01 -1.1816E+01 O6 5014 15.999400 -0.847600 -1.2270E+01 1.0805E+01 -1.6391E+01 H1 5015 1.008000 0.423800 -1.1793E+01 1.1615E+01 -1.6050E+01 H2 5016 1.008000 0.423800 -1.2293E+01 1.0829E+01 -1.7391E+01 O6 5017 15.999400 -0.847600 2.5370E+00 -5.8081E+00 -7.9649E-01 H1 5018 1.008000 0.423800 2.7806E+00 -5.7972E+00 1.7334E-01 H2 5019 1.008000 0.423800 1.6083E+00 -5.4552E+00 -9.1082E-01 O6 5020 15.999400 -0.847600 -1.3816E+01 1.7787E+00 1.5620E+01 H1 5021 1.008000 0.423800 -1.3370E+01 2.6737E+00 1.5641E+01 H2 5022 1.008000 0.423800 -1.4715E+01 1.8646E+00 1.5191E+01 O6 5023 15.999400 -0.847600 1.8713E+01 -6.0117E+00 -1.1764E+01 H1 5024 1.008000 0.423800 1.9328E+01 -5.2519E+00 -1.1976E+01 H2 5025 1.008000 0.423800 1.8098E+01 -5.7456E+00 -1.1022E+01 O6 5026 15.999400 -0.847600 1.2358E+01 -7.4456E+00 -1.2688E+01 H1 5027 1.008000 0.423800 1.2721E+01 -7.8208E+00 -1.1835E+01 H2 5028 1.008000 0.423800 1.3047E+01 -6.8606E+00 -1.3115E+01 O6 5029 15.999400 -0.847600 -3.7637E+00 -8.6222E+00 5.3259E+00 H1 5030 1.008000 0.423800 -4.5747E+00 -8.8156E+00 4.7737E+00 H2 5031 1.008000 0.423800 -3.1354E+00 -9.3987E+00 5.2785E+00 O6 5032 15.999400 -0.847600 1.7154E+01 1.2636E+01 1.0863E+01 H1 5033 1.008000 0.423800 1.7185E+01 1.3401E+01 1.0219E+01 H2 5034 1.008000 0.423800 1.7451E+01 1.1800E+01 1.0402E+01 O6 5035 15.999400 -0.847600 7.1415E+00 -1.1111E+01 -5.9255E-01 H1 5036 1.008000 0.423800 7.6581E+00 -1.1111E+01 2.6369E-01 H2 5037 1.008000 0.423800 7.7501E+00 -1.0871E+01 -1.3490E+00 O6 5038 15.999400 -0.847600 8.3849E+00 -1.9435E+01 6.5660E+00 H1 5039 1.008000 0.423800 9.2237E+00 -1.9148E+01 6.1037E+00 H2 5040 1.008000 0.423800 8.4874E+00 1.8721E+01 6.8871E+00 O6 5041 15.999400 -0.847600 2.2572E+00 3.6881E+00 -4.0993E+00 H1 5042 1.008000 0.423800 1.3394E+00 3.3437E+00 -4.2972E+00 H2 5043 1.008000 0.423800 2.9372E+00 3.0343E+00 -4.4309E+00 O6 5044 15.999400 -0.847600 4.6842E+00 5.5351E+00 1.3456E+01 H1 5045 1.008000 0.423800 5.2316E+00 6.3093E+00 1.3138E+01 H2 5046 1.008000 0.423800 4.3051E+00 5.0496E+00 1.2668E+01 O6 5047 15.999400 -0.847600 1.8585E+01 -3.3920E+00 -1.7514E+01 H1 5048 1.008000 0.423800 1.8633E+01 -3.9601E+00 -1.6692E+01 H2 5049 1.008000 0.423800 1.9505E+01 -3.0934E+00 -1.7766E+01 O6 5050 15.999400 -0.847600 -6.2186E+00 -9.2091E-01 1.7758E+01 H1 5051 1.008000 0.423800 -6.5354E+00 -5.4760E-01 1.6886E+01 H2 5052 1.008000 0.423800 -6.5505E+00 -3.4687E-01 1.8507E+01 O6 5053 15.999400 -0.847600 -1.5375E+01 -1.7950E+01 9.2395E+00 H1 5054 1.008000 0.423800 -1.6051E+01 -1.8655E+01 9.0250E+00 H2 5055 1.008000 0.423800 -1.5781E+01 -1.7276E+01 9.8563E+00 O6 5056 15.999400 -0.847600 -1.6055E+01 6.9369E+00 -3.6886E+00 H1 5057 1.008000 0.423800 -1.7001E+01 6.6312E+00 -3.5835E+00 H2 5058 1.008000 0.423800 -1.5876E+01 7.1421E+00 -4.6509E+00 O6 5059 15.999400 -0.847600 7.5375E+00 1.2342E+01 -5.3719E+00 H1 5060 1.008000 0.423800 7.1061E+00 1.2613E+01 -6.2327E+00 H2 5061 1.008000 0.423800 8.5138E+00 1.2556E+01 -5.4071E+00 O6 5062 15.999400 -0.847600 6.5979E+00 -1.6220E+01 1.0050E+01 H1 5063 1.008000 0.423800 6.0266E+00 -1.6307E+01 9.2337E+00 H2 5064 1.008000 0.423800 6.6784E+00 -1.7111E+01 1.0497E+01 O6 5065 15.999400 -0.847600 8.5656E+00 1.8179E+01 2.3817E+00 H1 5066 1.008000 0.423800 7.7786E+00 1.7905E+01 1.8287E+00 H2 5067 1.008000 0.423800 9.1383E+00 1.8809E+01 1.8577E+00 O6 5068 15.999400 -0.847600 -1.4016E+01 1.2320E+01 5.3183E+00 H1 5069 1.008000 0.423800 -1.4653E+01 1.1759E+01 4.7902E+00 H2 5070 1.008000 0.423800 -1.4530E+01 1.2945E+01 5.9063E+00 O6 5071 15.999400 -0.847600 -1.5883E+01 6.5071E+00 6.9995E+00 H1 5072 1.008000 0.423800 -1.5504E+01 7.4095E+00 7.2055E+00 H2 5073 1.008000 0.423800 -1.6785E+01 6.4201E+00 7.4210E+00 O6 5074 15.999400 -0.847600 1.1787E+01 -9.8229E+00 1.8361E+01 H1 5075 1.008000 0.423800 1.1533E+01 -9.5981E+00 1.7421E+01 H2 5076 1.008000 0.423800 1.1081E+01 -1.0403E+01 1.8768E+01 O6 5077 15.999400 -0.847600 8.4857E+00 -1.4512E+01 1.2415E+01 H1 5078 1.008000 0.423800 8.4311E+00 -1.5425E+01 1.2010E+01 H2 5079 1.008000 0.423800 8.2840E+00 -1.4569E+01 1.3393E+01 O6 5080 15.999400 -0.847600 -8.9120E+00 -9.7049E+00 7.4005E+00 H1 5081 1.008000 0.423800 -9.2070E+00 -8.8708E+00 7.8666E+00 H2 5082 1.008000 0.423800 -8.6577E+00 -1.0394E+01 8.0792E+00 O6 5083 15.999400 -0.847600 -1.1747E+01 -4.7112E-02 -1.9529E+01 H1 5084 1.008000 0.423800 -1.1799E+01 -1.0379E+00 -1.9404E+01 H2 5085 1.008000 0.423800 -1.1480E+01 3.8403E-01 -1.8667E+01 O6 5086 15.999400 -0.847600 -1.0704E+01 -1.5507E+01 -1.1738E+01 H1 5087 1.008000 0.423800 -1.0134E+01 -1.5529E+01 -1.0916E+01 H2 5088 1.008000 0.423800 -1.0148E+01 -1.5232E+01 -1.2522E+01 O6 5089 15.999400 -0.847600 -1.8614E+01 -1.0999E+01 -1.5660E+01 H1 5090 1.008000 0.423800 -1.8861E+01 -1.1408E+01 -1.6538E+01 H2 5091 1.008000 0.423800 -1.8512E+01 -1.1719E+01 -1.4973E+01 O6 5092 15.999400 -0.847600 1.8935E+01 -1.4380E+01 1.1460E+01 H1 5093 1.008000 0.423800 1.8095E+01 -1.4922E+01 1.1496E+01 H2 5094 1.008000 0.423800 -1.9512E+01 -1.4814E+01 1.0838E+01 O6 5095 15.999400 -0.847600 -3.5755E+00 -7.8668E+00 1.8727E+01 H1 5096 1.008000 0.423800 -3.6546E+00 -7.3786E+00 1.7857E+01 H2 5097 1.008000 0.423800 -3.9067E+00 -7.2832E+00 1.9468E+01 O6 5098 15.999400 -0.847600 7.4879E+00 -1.5939E+01 -5.2258E+00 H1 5099 1.008000 0.423800 7.1220E+00 -1.6106E+01 -6.1413E+00 H2 5100 1.008000 0.423800 8.0329E+00 -1.5101E+01 -5.2326E+00 O6 5101 15.999400 -0.847600 6.8711E+00 -6.8314E+00 -1.9378E+01 H1 5102 1.008000 0.423800 6.4819E+00 -6.5756E+00 1.8835E+01 H2 5103 1.008000 0.423800 7.2215E+00 -7.7667E+00 -1.9426E+01 O6 5104 15.999400 -0.847600 1.0517E+01 -1.5399E+01 -1.1837E+01 H1 5105 1.008000 0.423800 1.1317E+01 -1.5214E+01 -1.2407E+01 H2 5106 1.008000 0.423800 9.7583E+00 -1.5701E+01 -1.2415E+01 O6 5107 15.999400 -0.847600 1.2338E+00 6.6571E+00 -1.4046E+01 H1 5108 1.008000 0.423800 5.5245E-01 7.3672E+00 -1.4224E+01 H2 5109 1.008000 0.423800 8.6106E-01 5.7656E+00 -1.4304E+01 O6 5110 15.999400 -0.847600 7.1811E-01 7.6314E+00 -3.7112E-01 H1 5111 1.008000 0.423800 3.4250E-01 7.0164E+00 3.2217E-01 H2 5112 1.008000 0.423800 1.7091E+00 7.6986E+00 -2.5530E-01 O6 5113 15.999400 -0.847600 1.2215E+01 1.7336E+01 -1.5352E+01 H1 5114 1.008000 0.423800 1.1604E+01 1.6567E+01 -1.5163E+01 H2 5115 1.008000 0.423800 1.2517E+01 1.7742E+01 -1.4490E+01 O6 5116 15.999400 -0.847600 2.7663E+00 1.7775E+01 2.0253E+00 H1 5117 1.008000 0.423800 2.4162E+00 1.8470E+01 1.3969E+00 H2 5118 1.008000 0.423800 2.8472E+00 1.6902E+01 1.5451E+00 O6 5119 15.999400 -0.847600 7.9035E+00 -9.8976E+00 -1.2029E+01 H1 5120 1.008000 0.423800 8.6638E+00 -9.7052E+00 -1.1409E+01 H2 5121 1.008000 0.423800 7.0826E+00 -1.0103E+01 -1.1496E+01 O6 5122 15.999400 -0.847600 -3.0660E+00 1.0768E+01 -6.0571E+00 H1 5123 1.008000 0.423800 -3.9875E+00 1.0821E+01 -5.6721E+00 H2 5124 1.008000 0.423800 -2.4664E+00 1.0283E+01 -5.4203E+00 O6 5125 15.999400 -0.847600 -3.6392E+00 -1.3807E+01 3.1075E+00 H1 5126 1.008000 0.423800 -2.6855E+00 -1.3650E+01 2.8507E+00 H2 5127 1.008000 0.423800 -3.6751E+00 -1.4410E+01 3.9039E+00 O6 5128 15.999400 -0.847600 1.5660E+00 3.0346E+00 -9.2757E+00 H1 5129 1.008000 0.423800 2.4362E+00 3.4757E+00 -9.0560E+00 H2 5130 1.008000 0.423800 8.4816E-01 3.7277E+00 -9.3412E+00 O6 5131 15.999400 -0.847600 -6.3925E-02 6.9786E-01 1.5029E+01 H1 5132 1.008000 0.423800 -9.9361E-01 5.9618E-01 1.5383E+01 H2 5133 1.008000 0.423800 -8.2937E-02 6.6883E-01 1.4030E+01 O6 5134 15.999400 -0.847600 1.7358E+01 -1.5365E+01 1.6031E+01 H1 5135 1.008000 0.423800 1.6584E+01 -1.4780E+01 1.5790E+01 H2 5136 1.008000 0.423800 1.7503E+01 -1.6040E+01 1.5308E+01 O6 5137 15.999400 -0.847600 8.5121E+00 1.5288E+01 -9.0080E-01 H1 5138 1.008000 0.423800 8.5253E+00 1.4307E+01 -1.0905E+00 H2 5139 1.008000 0.423800 8.0089E+00 1.5761E+01 -1.6244E+00 O6 5140 15.999400 -0.847600 2.6020E+00 -9.2802E+00 -5.3566E+00 H1 5141 1.008000 0.423800 3.1184E+00 -9.7801E+00 -4.6613E+00 H2 5142 1.008000 0.423800 2.3314E+00 -8.3885E+00 -4.9937E+00 O6 5143 15.999400 -0.847600 2.2156E+00 -1.1353E+01 3.9809E+00 H1 5144 1.008000 0.423800 1.2358E+00 -1.1171E+01 4.0632E+00 H2 5145 1.008000 0.423800 2.6921E+00 -1.0508E+01 3.7366E+00 O6 5146 15.999400 -0.847600 -6.6630E+00 9.2785E+00 -9.0244E+00 H1 5147 1.008000 0.423800 -7.6440E+00 9.1214E+00 -9.1383E+00 H2 5148 1.008000 0.423800 -6.3264E+00 9.8442E+00 -9.7772E+00 O6 5149 15.999400 -0.847600 1.0231E+01 1.2884E+01 -1.2628E+01 H1 5150 1.008000 0.423800 1.0114E+01 1.2444E+01 -1.3519E+01 H2 5151 1.008000 0.423800 1.1157E+01 1.2713E+01 -1.2291E+01 O6 5152 15.999400 -0.847600 -1.6378E+01 8.9795E+00 5.9978E-02 H1 5153 1.008000 0.423800 -1.5781E+01 8.2840E+00 -3.3998E-01 H2 5154 1.008000 0.423800 -1.5840E+01 9.5818E+00 6.4930E-01 O6 5155 15.999400 -0.847600 -6.4723E+00 1.5277E+01 -1.1467E+01 H1 5156 1.008000 0.423800 -7.2850E+00 1.5729E+01 -1.1100E+01 H2 5157 1.008000 0.423800 -6.7506E+00 1.4546E+01 -1.2090E+01 O6 5158 15.999400 -0.847600 1.2449E+01 6.5751E+00 -1.7158E+01 H1 5159 1.008000 0.423800 1.1582E+01 7.0728E+00 -1.7121E+01 H2 5160 1.008000 0.423800 1.2488E+01 6.0365E+00 -1.8000E+01 O6 5161 15.999400 -0.847600 -1.0702E+00 6.0350E+00 1.7287E+01 H1 5162 1.008000 0.423800 -1.1070E+00 6.0793E+00 1.6289E+01 H2 5163 1.008000 0.423800 -9.0162E-01 6.9493E+00 1.7655E+01 O6 5164 15.999400 -0.847600 -3.3121E+00 -1.3648E+01 1.7171E+01 H1 5165 1.008000 0.423800 -2.6224E+00 -1.4289E+01 1.7508E+01 H2 5166 1.008000 0.423800 -3.4485E+00 -1.2921E+01 1.7845E+01 O6 5167 15.999400 -0.847600 1.3184E+01 -1.9524E+00 -2.5197E+00 H1 5168 1.008000 0.423800 1.3960E+01 -2.4937E+00 -2.1943E+00 H2 5169 1.008000 0.423800 1.2780E+01 -1.4547E+00 -1.7524E+00 O6 5170 15.999400 -0.847600 -1.6850E+01 -1.8967E+01 1.6707E+01 H1 5171 1.008000 0.423800 -1.6150E+01 -1.8271E+01 1.6551E+01 H2 5172 1.008000 0.423800 -1.6794E+01 -1.9289E+01 1.7652E+01 O6 5173 15.999400 -0.847600 -6.8199E+00 1.8925E+01 -1.7024E+01 H1 5174 1.008000 0.423800 -6.5712E+00 -1.9271E+01 -1.7379E+01 H2 5175 1.008000 0.423800 -7.2425E+00 1.9028E+01 -1.6123E+01 O6 5176 15.999400 -0.847600 2.6203E+00 1.6887E+01 1.8098E+01 H1 5177 1.008000 0.423800 2.9535E+00 1.5984E+01 1.7825E+01 H2 5178 1.008000 0.423800 1.8092E+00 1.6782E+01 1.8673E+01 O6 5179 15.999400 -0.847600 7.1966E+00 1.0339E+01 1.9178E+00 H1 5180 1.008000 0.423800 6.6062E+00 1.0118E+01 2.6939E+00 H2 5181 1.008000 0.423800 6.7884E+00 1.1084E+01 1.3904E+00 O6 5182 15.999400 -0.847600 1.0515E+01 6.9904E-01 5.8276E+00 H1 5183 1.008000 0.423800 1.0889E+01 -2.1487E-01 5.6686E+00 H2 5184 1.008000 0.423800 9.5436E+00 7.0763E-01 5.5913E+00 O6 5185 15.999400 -0.847600 -1.6792E+01 -1.3019E+01 -5.1919E+00 H1 5186 1.008000 0.423800 -1.6014E+01 -1.3314E+01 -4.6369E+00 H2 5187 1.008000 0.423800 -1.6713E+01 -1.3407E+01 -6.1098E+00 O6 5188 15.999400 -0.847600 -1.9114E+01 -5.1440E+00 2.2002E+00 H1 5189 1.008000 0.423800 1.9275E+01 -5.7330E+00 1.8120E+00 H2 5190 1.008000 0.423800 -1.9260E+01 -5.0508E+00 3.1849E+00 O6 5191 15.999400 -0.847600 5.2753E+00 -4.7582E+00 7.1516E+00 H1 5192 1.008000 0.423800 5.0919E+00 -4.0651E+00 6.4544E+00 H2 5193 1.008000 0.423800 6.2612E+00 -4.8231E+00 7.3057E+00 O6 5194 15.999400 -0.847600 1.2228E+01 1.2243E+01 1.3009E+01 H1 5195 1.008000 0.423800 1.1250E+01 1.2310E+01 1.2808E+01 H2 5196 1.008000 0.423800 1.2479E+01 1.1281E+01 1.3123E+01 O6 5197 15.999400 -0.847600 -9.3244E+00 2.7255E+00 1.9370E+01 H1 5198 1.008000 0.423800 -1.0110E+01 2.4870E+00 -1.9157E+01 H2 5199 1.008000 0.423800 -9.1160E+00 3.6974E+00 1.9479E+01 O6 5200 15.999400 -0.847600 1.4619E+01 -1.1246E+01 7.4400E+00 H1 5201 1.008000 0.423800 1.4303E+01 -1.0354E+01 7.7619E+00 H2 5202 1.008000 0.423800 1.5536E+01 -1.1155E+01 7.0522E+00 O6 5203 15.999400 -0.847600 4.6342E+00 1.6432E+01 -1.7449E+01 H1 5204 1.008000 0.423800 4.4240E+00 1.6600E+01 -1.6486E+01 H2 5205 1.008000 0.423800 5.0996E+00 1.5552E+01 -1.7540E+01 O6 5206 15.999400 -0.847600 4.7438E+00 -6.5024E+00 9.4081E+00 H1 5207 1.008000 0.423800 4.8208E+00 -7.4926E+00 9.2917E+00 H2 5208 1.008000 0.423800 4.8896E+00 -6.0510E+00 8.5277E+00 O6 5209 15.999400 -0.847600 1.1161E+01 -9.5218E+00 1.7610E+00 H1 5210 1.008000 0.423800 1.1678E+01 -1.0083E+01 1.1145E+00 H2 5211 1.008000 0.423800 1.1784E+01 -8.8929E+00 2.2274E+00 O6 5212 15.999400 -0.847600 -1.0372E+01 9.9808E+00 1.1292E+01 H1 5213 1.008000 0.423800 -9.4751E+00 1.0202E+01 1.1674E+01 H2 5214 1.008000 0.423800 -1.0522E+01 1.0515E+01 1.0460E+01 O6 5215 15.999400 -0.847600 1.6468E+01 -1.1475E+01 1.1101E+01 H1 5216 1.008000 0.423800 1.6027E+01 -1.0580E+01 1.1038E+01 H2 5217 1.008000 0.423800 1.7459E+01 -1.1363E+01 1.1037E+01 O6 5218 15.999400 -0.847600 -3.3791E+00 -6.8019E+00 1.6248E+01 H1 5219 1.008000 0.423800 -3.5037E+00 -6.8996E+00 1.5260E+01 H2 5220 1.008000 0.423800 -3.7515E+00 -5.9228E+00 1.6545E+01 O6 5221 15.999400 -0.847600 -3.8578E+00 1.2633E+01 -2.7033E+00 H1 5222 1.008000 0.423800 -3.8781E+00 1.3632E+01 -2.6917E+00 H2 5223 1.008000 0.423800 -4.4066E+00 1.2297E+01 -3.4690E+00 O6 5224 15.999400 -0.847600 -1.3077E+01 -4.2974E+00 -1.2911E+01 H1 5225 1.008000 0.423800 -1.2234E+01 -3.9301E+00 -1.2518E+01 H2 5226 1.008000 0.423800 -1.3752E+01 -4.4327E+00 -1.2185E+01 O6 5227 15.999400 -0.847600 -1.3209E+01 1.1120E+01 -1.3761E+01 H1 5228 1.008000 0.423800 -1.3959E+01 1.0755E+01 -1.3210E+01 H2 5229 1.008000 0.423800 -1.3114E+01 1.0577E+01 -1.4596E+01 O6 5230 15.999400 -0.847600 8.3528E+00 -9.3564E+00 -1.8412E+01 H1 5231 1.008000 0.423800 9.1378E+00 -9.7181E+00 -1.7909E+01 H2 5232 1.008000 0.423800 8.2451E+00 -9.8604E+00 -1.9268E+01 O6 5233 15.999400 -0.847600 -7.1341E+00 -7.2015E+00 -1.4771E+01 H1 5234 1.008000 0.423800 -6.8084E+00 -7.7148E+00 -1.5565E+01 H2 5235 1.008000 0.423800 -8.1339E+00 -7.2138E+00 -1.4753E+01 O6 5236 15.999400 -0.847600 3.3065E+00 7.0188E+00 -8.5433E+00 H1 5237 1.008000 0.423800 3.0153E+00 7.4795E+00 -9.3818E+00 H2 5238 1.008000 0.423800 3.2400E+00 7.6539E+00 -7.7738E+00 O6 5239 15.999400 -0.847600 6.5278E+00 -8.3262E+00 1.4376E+01 H1 5240 1.008000 0.423800 6.8108E+00 -7.4457E+00 1.4756E+01 H2 5241 1.008000 0.423800 5.9051E+00 -8.7798E+00 1.5013E+01 O6 5242 15.999400 -0.847600 -4.0349E-01 -7.5459E+00 1.3663E+01 H1 5243 1.008000 0.423800 -9.5926E-01 -8.3483E+00 1.3446E+01 H2 5244 1.008000 0.423800 -4.9013E-01 -7.3347E+00 1.4637E+01 O6 5245 15.999400 -0.847600 1.9049E+01 -1.6399E+01 2.6610E+00 H1 5246 1.008000 0.423800 1.8296E+01 -1.6339E+01 3.3157E+00 H2 5247 1.008000 0.423800 1.8990E+01 -1.5639E+01 2.0138E+00 O6 5248 15.999400 -0.847600 -1.2538E+01 -1.8621E+01 6.2960E+00 H1 5249 1.008000 0.423800 -1.2535E+01 1.9547E+01 6.6635E+00 H2 5250 1.008000 0.423800 -1.3462E+01 -1.8383E+01 5.9981E+00 O6 5251 15.999400 -0.847600 1.7066E+01 -3.6179E+00 5.7593E+00 H1 5252 1.008000 0.423800 1.7993E+01 -3.7402E+00 6.1132E+00 H2 5253 1.008000 0.423800 1.7098E+01 -3.0761E+00 4.9195E+00 O6 5254 15.999400 -0.847600 -9.9326E-01 1.3453E+01 9.5177E+00 H1 5255 1.008000 0.423800 -3.2812E-01 1.3643E+01 8.7955E+00 H2 5256 1.008000 0.423800 -5.3694E-01 1.3483E+01 1.0407E+01 O6 5257 15.999400 -0.847600 1.9099E+01 1.6916E+01 -1.8869E+01 H1 5258 1.008000 0.423800 1.8857E+01 1.7768E+01 -1.8404E+01 H2 5259 1.008000 0.423800 -1.9051E+01 1.6677E+01 -1.8655E+01 O6 5260 15.999400 -0.847600 2.1795E+00 -5.6962E+00 8.6355E+00 H1 5261 1.008000 0.423800 3.0565E+00 -6.0369E+00 8.9745E+00 H2 5262 1.008000 0.423800 1.4432E+00 -6.0255E+00 9.2266E+00 O6 5263 15.999400 -0.847600 6.7579E+00 1.5647E+01 -5.5402E+00 H1 5264 1.008000 0.423800 7.0189E+00 1.6217E+01 -6.3192E+00 H2 5265 1.008000 0.423800 6.3898E+00 1.4779E+01 -5.8714E+00 O6 5266 15.999400 -0.847600 1.3354E+01 -7.6773E+00 1.9422E+01 H1 5267 1.008000 0.423800 1.2921E+01 -8.4972E+00 1.9047E+01 H2 5268 1.008000 0.423800 1.2649E+01 -7.0479E+00 -1.9349E+01 O6 5269 15.999400 -0.847600 4.4311E-01 -1.5610E+01 -2.8792E-01 H1 5270 1.008000 0.423800 1.4335E+00 -1.5510E+01 -1.9130E-01 H2 5271 1.008000 0.423800 1.2739E-01 -1.6370E+01 2.7935E-01 O6 5272 15.999400 -0.847600 1.7448E+00 -1.1914E+01 1.1780E+01 H1 5273 1.008000 0.423800 2.5380E+00 -1.1350E+01 1.1550E+01 H2 5274 1.008000 0.423800 1.7294E+00 -1.2082E+01 1.2766E+01 O6 5275 15.999400 -0.847600 -1.1037E+01 1.3227E+01 -1.5102E+01 H1 5276 1.008000 0.423800 -1.1349E+01 1.2935E+01 -1.4198E+01 H2 5277 1.008000 0.423800 -1.0148E+01 1.3678E+01 -1.5018E+01 O6 5278 15.999400 -0.847600 -1.6346E+01 3.4135E-01 1.4709E+01 H1 5279 1.008000 0.423800 -1.6511E+01 -3.3411E-02 1.5621E+01 H2 5280 1.008000 0.423800 -1.6942E+01 1.1305E+00 1.4560E+01 O6 5281 15.999400 -0.847600 1.9546E+01 1.6189E+01 -1.4333E+01 H1 5282 1.008000 0.423800 1.9099E+01 1.5298E+01 -1.4405E+01 H2 5283 1.008000 0.423800 1.8861E+01 1.6913E+01 -1.4411E+01 O6 5284 15.999400 -0.847600 -1.6233E+01 -5.6685E-01 8.5614E+00 H1 5285 1.008000 0.423800 -1.5965E+01 3.9452E-01 8.4972E+00 H2 5286 1.008000 0.423800 -1.6510E+01 -8.9668E-01 7.6588E+00 O6 5287 15.999400 -0.847600 6.5455E-01 -1.0037E+01 1.7744E+01 H1 5288 1.008000 0.423800 1.8978E-01 -9.4567E+00 1.7075E+01 H2 5289 1.008000 0.423800 1.6062E+00 -1.0169E+01 1.7466E+01 O6 5290 15.999400 -0.847600 1.4341E+00 -4.9368E+00 -1.8002E+01 H1 5291 1.008000 0.423800 2.2723E+00 -5.2736E+00 -1.8430E+01 H2 5292 1.008000 0.423800 1.3797E+00 -3.9442E+00 -1.8110E+01 O6 5293 15.999400 -0.847600 1.0513E+01 1.9138E+01 1.1350E+00 H1 5294 1.008000 0.423800 1.1060E+01 -1.9122E+01 1.1449E+00 H2 5295 1.008000 0.423800 1.1117E+01 1.8347E+01 1.0310E+00 O6 5296 15.999400 -0.847600 4.0270E+00 -1.6702E+00 -1.4534E+01 H1 5297 1.008000 0.423800 4.0134E+00 -1.5987E+00 -1.3536E+01 H2 5298 1.008000 0.423800 4.8621E+00 -2.1381E+00 -1.4823E+01 O6 5299 15.999400 -0.847600 -4.2594E+00 5.7540E+00 -9.9032E+00 H1 5300 1.008000 0.423800 -4.0358E+00 4.8048E+00 -9.6817E+00 H2 5301 1.008000 0.423800 -4.3896E+00 6.2718E+00 -9.0577E+00 O6 5302 15.999400 -0.847600 3.4745E+00 1.2289E+01 5.0641E+00 H1 5303 1.008000 0.423800 3.1796E+00 1.1843E+01 4.2186E+00 H2 5304 1.008000 0.423800 3.0636E+00 1.1822E+01 5.8473E+00 O6 5305 15.999400 -0.847600 -6.9948E+00 1.9373E+01 2.7779E-01 H1 5306 1.008000 0.423800 -6.3241E+00 1.9352E+01 -4.6367E-01 H2 5307 1.008000 0.423800 -7.8766E+00 1.9046E+01 -6.1128E-02 O6 5308 15.999400 -0.847600 -4.7875E+00 -1.7130E+01 -7.7879E+00 H1 5309 1.008000 0.423800 -4.0777E+00 -1.6746E+01 -7.1974E+00 H2 5310 1.008000 0.423800 -5.3287E+00 -1.7793E+01 -7.2704E+00 O6 5311 15.999400 -0.847600 -7.0698E+00 -1.2371E+01 -1.8277E+01 H1 5312 1.008000 0.423800 -7.4085E+00 -1.1527E+01 -1.8693E+01 H2 5313 1.008000 0.423800 -6.6666E+00 -1.2165E+01 -1.7385E+01 O6 5314 15.999400 -0.847600 3.2828E+00 -1.4046E+01 1.7117E+01 H1 5315 1.008000 0.423800 2.4773E+00 -1.4612E+01 1.6940E+01 H2 5316 1.008000 0.423800 2.9954E+00 -1.3108E+01 1.7309E+01 O6 5317 15.999400 -0.847600 -1.0007E+01 5.9450E+00 -3.0300E+00 H1 5318 1.008000 0.423800 -9.1805E+00 5.7204E+00 -3.5464E+00 H2 5319 1.008000 0.423800 -1.0211E+01 5.2049E+00 -2.3892E+00 O6 5320 15.999400 -0.847600 -9.9043E+00 1.8610E+01 -1.1024E+01 H1 5321 1.008000 0.423800 -1.0819E+01 1.8206E+01 -1.1047E+01 H2 5322 1.008000 0.423800 -9.2384E+00 1.7914E+01 -1.0757E+01 O6 5323 15.999400 -0.847600 3.4155E+00 -2.5469E+00 -1.4515E+00 H1 5324 1.008000 0.423800 4.0568E+00 -3.1245E+00 -1.9565E+00 H2 5325 1.008000 0.423800 2.9249E+00 -3.1020E+00 -7.7984E-01 O6 5326 15.999400 -0.847600 -1.7944E+01 -1.2685E+01 -2.3485E+00 H1 5327 1.008000 0.423800 -1.8928E+01 -1.2609E+01 -2.1834E+00 H2 5328 1.008000 0.423800 -1.7780E+01 -1.3333E+01 -3.0926E+00 O6 5329 15.999400 -0.847600 9.3102E+00 -1.0843E+01 8.1981E+00 H1 5330 1.008000 0.423800 9.7492E+00 -1.0897E+01 7.3012E+00 H2 5331 1.008000 0.423800 9.8643E+00 -1.1334E+01 8.8704E+00 O6 5332 15.999400 -0.847600 -2.5407E+00 1.1448E+01 1.0809E+01 H1 5333 1.008000 0.423800 -1.8739E+00 1.2158E+01 1.0582E+01 H2 5334 1.008000 0.423800 -3.4622E+00 1.1836E+01 1.0782E+01 O6 5335 15.999400 -0.847600 1.8908E+01 2.0568E+00 2.8468E+00 H1 5336 1.008000 0.423800 1.8962E+01 2.9911E+00 3.1993E+00 H2 5337 1.008000 0.423800 1.8196E+01 1.5553E+00 3.3389E+00 O6 5338 15.999400 -0.847600 -1.0511E+01 3.8399E+00 -1.4033E+00 H1 5339 1.008000 0.423800 -1.1260E+01 3.2200E+00 -1.1690E+00 H2 5340 1.008000 0.423800 -1.0164E+01 4.2727E+00 -5.7126E-01 O6 5341 15.999400 -0.847600 -1.3369E+01 -1.3143E+01 -1.8249E+01 H1 5342 1.008000 0.423800 -1.3669E+01 -1.3692E+01 -1.9029E+01 H2 5343 1.008000 0.423800 -1.2468E+01 -1.3455E+01 -1.7948E+01 O6 5344 15.999400 -0.847600 1.7541E+01 1.6560E+00 -1.2488E+01 H1 5345 1.008000 0.423800 1.8148E+01 2.4048E+00 -1.2222E+01 H2 5346 1.008000 0.423800 1.7648E+01 1.4703E+00 -1.3465E+01 O6 5347 15.999400 -0.847600 1.4479E+01 1.1819E+01 -1.7078E+01 H1 5348 1.008000 0.423800 1.3823E+01 1.1134E+01 -1.7397E+01 H2 5349 1.008000 0.423800 1.5347E+01 1.1373E+01 -1.6863E+01 O6 5350 15.999400 -0.847600 1.9031E+01 -1.6222E+01 -2.0060E+00 H1 5351 1.008000 0.423800 -1.9092E+01 -1.6377E+01 -1.8418E+00 H2 5352 1.008000 0.423800 1.8567E+01 -1.7101E+01 -2.1137E+00 O6 5353 15.999400 -0.847600 1.4785E+01 -6.7459E+00 1.7030E+00 H1 5354 1.008000 0.423800 1.4938E+01 -7.7099E+00 1.9203E+00 H2 5355 1.008000 0.423800 1.4536E+01 -6.6571E+00 7.3852E-01 O6 5356 15.999400 -0.847600 1.0491E+01 -1.9135E+01 4.7923E+00 H1 5357 1.008000 0.423800 1.1031E+01 -1.8402E+01 4.3781E+00 H2 5358 1.008000 0.423800 1.0796E+01 1.9080E+01 4.4335E+00 O6 5359 15.999400 -0.847600 6.1448E+00 1.8109E+01 1.4592E+01 H1 5360 1.008000 0.423800 5.5821E+00 1.8935E+01 1.4587E+01 H2 5361 1.008000 0.423800 6.9581E+00 1.8262E+01 1.5153E+01 O6 5362 15.999400 -0.847600 1.4717E+01 1.6171E+01 9.8863E+00 H1 5363 1.008000 0.423800 1.5121E+01 1.5434E+01 1.0429E+01 H2 5364 1.008000 0.423800 1.5380E+01 1.6913E+01 9.7879E+00 O6 5365 15.999400 -0.847600 -1.5355E+01 -9.2402E+00 4.4470E-01 H1 5366 1.008000 0.423800 -1.4854E+01 -8.3937E+00 2.6380E-01 H2 5367 1.008000 0.423800 -1.5499E+01 -9.7324E+00 -4.1383E-01 O6 5368 15.999400 -0.847600 1.1781E+01 1.5418E+01 -1.5874E+00 H1 5369 1.008000 0.423800 1.1144E+01 1.4851E+01 -2.1102E+00 H2 5370 1.008000 0.423800 1.1690E+01 1.5209E+01 -6.1363E-01 O6 5371 15.999400 -0.847600 -1.1180E+01 -2.2263E+00 -2.6080E+00 H1 5372 1.008000 0.423800 -1.2003E+01 -2.7300E+00 -2.8701E+00 H2 5373 1.008000 0.423800 -1.0991E+01 -1.5192E+00 -3.2893E+00 O6 5374 15.999400 -0.847600 1.5779E+01 -5.0054E+00 1.6326E+01 H1 5375 1.008000 0.423800 1.6185E+01 -4.7891E+00 1.7213E+01 H2 5376 1.008000 0.423800 1.5262E+01 -5.8585E+00 1.6395E+01 O6 5377 15.999400 -0.847600 9.6484E+00 1.6791E+01 1.6697E+01 H1 5378 1.008000 0.423800 9.7758E+00 1.6624E+01 1.7675E+01 H2 5379 1.008000 0.423800 8.9839E+00 1.6139E+01 1.6332E+01 O6 5380 15.999400 -0.847600 1.1356E+01 1.1714E+01 1.7788E+01 H1 5381 1.008000 0.423800 1.0988E+01 1.1076E+01 1.8464E+01 H2 5382 1.008000 0.423800 1.0625E+01 1.2316E+01 1.7466E+01 O6 5383 15.999400 -0.847600 1.3526E+01 1.3539E+01 -5.7128E+00 H1 5384 1.008000 0.423800 1.2944E+01 1.3782E+01 -6.4884E+00 H2 5385 1.008000 0.423800 1.3438E+01 1.2560E+01 -5.5240E+00 O6 5386 15.999400 -0.847600 -1.3889E+01 1.0036E+00 1.8281E+01 H1 5387 1.008000 0.423800 -1.3748E+01 1.3819E+00 1.7366E+01 H2 5388 1.008000 0.423800 -1.3034E+01 6.0413E-01 1.8612E+01 O6 5389 15.999400 -0.847600 -1.1070E+01 1.2867E+01 1.6681E+01 H1 5390 1.008000 0.423800 -1.1522E+01 1.2057E+01 1.7054E+01 H2 5391 1.008000 0.423800 -1.1086E+01 1.3600E+01 1.7361E+01 O6 5392 15.999400 -0.847600 -1.5221E+01 -1.5300E+00 -9.3781E+00 H1 5393 1.008000 0.423800 -1.4967E+01 -5.9065E-01 -9.6090E+00 H2 5394 1.008000 0.423800 -1.4864E+01 -2.1524E+00 -1.0075E+01 O6 5395 15.999400 -0.847600 -6.0640E+00 1.0606E+01 1.8498E+00 H1 5396 1.008000 0.423800 -5.8885E+00 9.6339E+00 1.6943E+00 H2 5397 1.008000 0.423800 -6.1460E+00 1.0777E+01 2.8317E+00 O6 5398 15.999400 -0.847600 1.1442E+01 -1.8766E+01 -1.5881E+01 H1 5399 1.008000 0.423800 1.1632E+01 -1.9462E+01 -1.5188E+01 H2 5400 1.008000 0.423800 1.1774E+01 -1.9080E+01 -1.6770E+01 O6 5401 15.999400 -0.847600 8.6546E+00 3.8370E+00 -5.3947E+00 H1 5402 1.008000 0.423800 9.5626E+00 3.9445E+00 -4.9897E+00 H2 5403 1.008000 0.423800 8.5960E+00 4.3820E+00 -6.2310E+00 O6 5404 15.999400 -0.847600 -1.8276E-01 6.9173E+00 1.0920E+01 H1 5405 1.008000 0.423800 6.3256E-01 6.7725E+00 1.0360E+01 H2 5406 1.008000 0.423800 -5.5516E-01 7.8273E+00 1.0738E+01 O6 5407 15.999400 -0.847600 -1.3306E+00 -1.0492E+01 8.5461E+00 H1 5408 1.008000 0.423800 -2.1431E+00 -1.0916E+01 8.9458E+00 H2 5409 1.008000 0.423800 -5.1043E-01 -1.0888E+01 8.9582E+00 O6 5410 15.999400 -0.847600 1.2089E+01 6.1690E+00 -1.1121E+01 H1 5411 1.008000 0.423800 1.2381E+01 5.3615E+00 -1.1634E+01 H2 5412 1.008000 0.423800 1.1452E+01 6.7033E+00 -1.1677E+01 O6 5413 15.999400 -0.847600 3.0820E+00 1.5243E+01 8.9949E-01 H1 5414 1.008000 0.423800 3.6520E+00 1.5439E+01 1.0168E-01 H2 5415 1.008000 0.423800 3.6417E+00 1.4822E+01 1.6134E+00 O6 5416 15.999400 -0.847600 -1.0362E+01 1.0696E+01 -2.1587E+00 H1 5417 1.008000 0.423800 -9.9540E+00 1.1590E+01 -1.9746E+00 H2 5418 1.008000 0.423800 -1.1285E+01 1.0665E+01 -1.7743E+00 O6 5419 15.999400 -0.847600 1.6365E+01 1.3275E+01 -1.2555E+01 H1 5420 1.008000 0.423800 1.6138E+01 1.2302E+01 -1.2610E+01 H2 5421 1.008000 0.423800 1.6947E+01 1.3437E+01 -1.1758E+01 O6 5422 15.999400 -0.847600 8.0889E+00 1.0121E+01 -1.2548E+01 H1 5423 1.008000 0.423800 7.7167E+00 9.3307E+00 -1.2061E+01 H2 5424 1.008000 0.423800 8.6580E+00 9.8060E+00 -1.3308E+01 O6 5425 15.999400 -0.847600 -8.9630E+00 -1.4338E+01 6.0650E+00 H1 5426 1.008000 0.423800 -9.8710E+00 -1.4149E+01 5.6911E+00 H2 5427 1.008000 0.423800 -8.8873E+00 -1.3934E+01 6.9766E+00 O6 5428 15.999400 -0.847600 1.8564E+01 -1.3491E+01 -2.6541E+00 H1 5429 1.008000 0.423800 1.8414E+01 -1.3103E+01 -1.7444E+00 H2 5430 1.008000 0.423800 1.8719E+01 -1.4475E+01 -2.5757E+00 O6 5431 15.999400 -0.847600 -1.8683E+01 -1.8572E+01 4.0519E+00 H1 5432 1.008000 0.423800 -1.9491E+01 -1.9064E+01 4.3765E+00 H2 5433 1.008000 0.423800 -1.8965E+01 -1.7839E+01 3.4331E+00 O6 5434 15.999400 -0.847600 1.7648E+01 1.5487E+01 1.8349E+01 H1 5435 1.008000 0.423800 1.8376E+01 1.5897E+01 1.8899E+01 H2 5436 1.008000 0.423800 1.7635E+01 1.4498E+01 1.8497E+01 O6 5437 15.999400 -0.847600 2.5470E+00 1.0749E+00 -1.7565E+01 H1 5438 1.008000 0.423800 3.3200E+00 4.4397E-01 -1.7498E+01 H2 5439 1.008000 0.423800 2.3694E+00 1.4805E+00 -1.6668E+01 O6 5440 15.999400 -0.847600 1.9155E+01 8.3682E+00 1.0750E+01 H1 5441 1.008000 0.423800 -1.9054E+01 8.0954E+00 1.0383E+01 H2 5442 1.008000 0.423800 1.8607E+01 7.5527E+00 1.0938E+01 O6 5443 15.999400 -0.847600 -6.0181E+00 1.6946E+01 -8.8637E+00 H1 5444 1.008000 0.423800 -6.1976E+00 1.6663E+01 -9.8060E+00 H2 5445 1.008000 0.423800 -5.0459E+00 1.7155E+01 -8.7579E+00 O6 5446 15.999400 -0.847600 5.6936E+00 -5.4997E+00 -1.5164E+01 H1 5447 1.008000 0.423800 4.8111E+00 -5.8053E+00 -1.5521E+01 H2 5448 1.008000 0.423800 6.4274E+00 -6.0278E+00 -1.5591E+01 O6 5449 15.999400 -0.847600 1.0934E+01 4.2518E+00 1.4510E+01 H1 5450 1.008000 0.423800 1.1893E+01 4.0195E+00 1.4673E+01 H2 5451 1.008000 0.423800 1.0347E+01 3.5861E+00 1.4971E+01 O6 5452 15.999400 -0.847600 1.8735E+01 1.3129E+01 7.3498E+00 H1 5453 1.008000 0.423800 1.9549E+01 1.2611E+01 7.6112E+00 H2 5454 1.008000 0.423800 1.8318E+01 1.3529E+01 8.1661E+00 O6 5455 15.999400 -0.847600 2.8145E+00 7.9108E+00 6.0290E+00 H1 5456 1.008000 0.423800 2.7379E+00 8.9042E+00 5.9427E+00 H2 5457 1.008000 0.423800 1.9190E+00 7.4930E+00 5.8761E+00 O6 5458 15.999400 -0.847600 -1.1894E+01 -1.9391E+01 1.7060E+01 H1 5459 1.008000 0.423800 -1.0909E+01 -1.9305E+01 1.7212E+01 H2 5460 1.008000 0.423800 -1.2064E+01 1.9005E+01 1.6368E+01 O6 5461 15.999400 -0.847600 -9.4608E+00 -9.9230E+00 -1.1617E+01 H1 5462 1.008000 0.423800 -1.0365E+01 -1.0252E+01 -1.1344E+01 H2 5463 1.008000 0.423800 -9.1130E+00 -9.2907E+00 -1.0925E+01 O6 5464 15.999400 -0.847600 -1.4769E+01 -7.8950E+00 3.5276E+00 H1 5465 1.008000 0.423800 -1.5055E+01 -8.3914E+00 2.7078E+00 H2 5466 1.008000 0.423800 -1.4379E+01 -7.0126E+00 3.2640E+00 O6 5467 15.999400 -0.847600 -1.0295E+01 -6.2973E+00 1.0751E+01 H1 5468 1.008000 0.423800 -9.8853E+00 -6.8806E+00 1.1452E+01 H2 5469 1.008000 0.423800 -9.6926E+00 -5.5198E+00 1.0571E+01 O6 5470 15.999400 -0.847600 -1.7843E+01 1.2757E+00 6.5073E+00 H1 5471 1.008000 0.423800 -1.8234E+01 1.4050E+00 7.4187E+00 H2 5472 1.008000 0.423800 -1.7631E+01 2.1667E+00 6.1063E+00 O6 5473 15.999400 -0.847600 -4.6780E+00 -1.9036E+01 7.5223E+00 H1 5474 1.008000 0.423800 -5.4992E+00 -1.8605E+01 7.8961E+00 H2 5475 1.008000 0.423800 -4.6074E+00 1.9125E+01 7.8660E+00 O6 5476 15.999400 -0.847600 -1.8424E+01 -2.0204E+00 1.5531E+01 H1 5477 1.008000 0.423800 -1.9391E+01 -2.1388E+00 1.5758E+01 H2 5478 1.008000 0.423800 -1.7984E+01 -1.4579E+00 1.6231E+01 O6 5479 15.999400 -0.847600 -2.6544E+00 5.1247E+00 -1.4171E+01 H1 5480 1.008000 0.423800 -2.3108E+00 4.6052E+00 -1.3389E+01 H2 5481 1.008000 0.423800 -2.6817E+00 4.5340E+00 -1.4977E+01 O6 5482 15.999400 -0.847600 8.7780E+00 1.1458E+01 -1.0120E+01 H1 5483 1.008000 0.423800 9.7094E+00 1.1801E+01 -9.9955E+00 H2 5484 1.008000 0.423800 8.6980E+00 1.1029E+01 -1.1019E+01 O6 5485 15.999400 -0.847600 -1.8155E+01 7.5793E+00 3.5886E+00 H1 5486 1.008000 0.423800 -1.7972E+01 6.9726E+00 2.8150E+00 H2 5487 1.008000 0.423800 -1.7291E+01 7.9326E+00 3.9471E+00 O6 5488 15.999400 -0.847600 7.1837E+00 1.7533E+01 8.8857E+00 H1 5489 1.008000 0.423800 6.5154E+00 1.6838E+01 9.1501E+00 H2 5490 1.008000 0.423800 7.5142E+00 1.7343E+01 7.9612E+00 O6 5491 15.999400 -0.847600 7.3416E+00 -1.9359E+00 -4.3735E+00 H1 5492 1.008000 0.423800 7.2614E+00 -2.8558E+00 -4.7574E+00 H2 5493 1.008000 0.423800 6.4306E+00 -1.5356E+00 -4.2743E+00 O6 5494 15.999400 -0.847600 -4.8132E+00 -1.3799E+01 -1.8660E+01 H1 5495 1.008000 0.423800 -5.7756E+00 -1.3527E+01 -1.8680E+01 H2 5496 1.008000 0.423800 -4.2764E+00 -1.3162E+01 -1.9214E+01 O6 5497 15.999400 -0.847600 -5.4396E+00 -8.5542E+00 -7.4382E+00 H1 5498 1.008000 0.423800 -6.1984E+00 -9.1630E+00 -7.2067E+00 H2 5499 1.008000 0.423800 -4.8005E+00 -9.0324E+00 -8.0406E+00 O6 5500 15.999400 -0.847600 9.7920E+00 1.9324E+01 1.2355E+01 H1 5501 1.008000 0.423800 1.0469E+01 1.8628E+01 1.2118E+01 H2 5502 1.008000 0.423800 9.4442E+00 1.9151E+01 1.3276E+01 O6 5503 15.999400 -0.847600 -7.2018E+00 1.3964E+01 1.3115E+01 H1 5504 1.008000 0.423800 -6.2569E+00 1.4219E+01 1.2910E+01 H2 5505 1.008000 0.423800 -7.6916E+00 1.3787E+01 1.2261E+01 O6 5506 15.999400 -0.847600 8.0124E+00 -1.1929E+01 1.1852E+01 H1 5507 1.008000 0.423800 7.9584E+00 -1.1492E+01 1.0954E+01 H2 5508 1.008000 0.423800 8.0787E+00 -1.2920E+01 1.1736E+01 O6 5509 15.999400 -0.847600 -1.8537E+01 -1.4011E+01 2.0701E+00 H1 5510 1.008000 0.423800 -1.9053E+01 -1.4243E+01 1.2452E+00 H2 5511 1.008000 0.423800 -1.9001E+01 -1.3271E+01 2.5569E+00 O6 5512 15.999400 -0.847600 -6.7854E+00 -1.2810E+01 -1.1231E+01 H1 5513 1.008000 0.423800 -6.7061E+00 -1.3772E+01 -1.1494E+01 H2 5514 1.008000 0.423800 -7.6306E+00 -1.2674E+01 -1.0715E+01 O6 5515 15.999400 -0.847600 4.0592E-02 1.2416E+00 -2.8554E+00 H1 5516 1.008000 0.423800 -2.2501E-01 2.9725E-01 -3.0494E+00 H2 5517 1.008000 0.423800 -3.4757E-01 1.8465E+00 -3.5507E+00 O6 5518 15.999400 -0.847600 9.8381E+00 -1.1572E+01 -1.3247E+01 H1 5519 1.008000 0.423800 9.7425E+00 -1.1716E+01 -1.4232E+01 H2 5520 1.008000 0.423800 9.1147E+00 -1.0959E+01 -1.2928E+01 O6 5521 15.999400 -0.847600 6.9282E+00 7.8010E+00 1.3864E+01 H1 5522 1.008000 0.423800 7.8498E+00 7.6992E+00 1.3489E+01 H2 5523 1.008000 0.423800 6.9352E+00 8.4977E+00 1.4581E+01 O6 5524 15.999400 -0.847600 -6.0740E+00 -1.0775E+01 -1.2947E+01 H1 5525 1.008000 0.423800 -5.0776E+00 -1.0836E+01 -1.2887E+01 H2 5526 1.008000 0.423800 -6.4862E+00 -1.1467E+01 -1.2354E+01 O6 5527 15.999400 -0.847600 -3.0689E+00 1.4628E+01 1.8092E+01 H1 5528 1.008000 0.423800 -2.1480E+00 1.4881E+01 1.7795E+01 H2 5529 1.008000 0.423800 -3.0347E+00 1.4288E+01 1.9031E+01 O6 5530 15.999400 -0.847600 -1.8790E+01 3.2249E+00 -1.5415E+01 H1 5531 1.008000 0.423800 -1.8511E+01 3.2265E+00 -1.4455E+01 H2 5532 1.008000 0.423800 1.9427E+01 3.6894E+00 -1.5507E+01 O6 5533 15.999400 -0.847600 1.9719E+00 -1.3427E+01 2.2962E+00 H1 5534 1.008000 0.423800 2.0021E+00 -1.2724E+01 3.0068E+00 H2 5535 1.008000 0.423800 2.0705E+00 -1.2998E+01 1.3984E+00 O6 5536 15.999400 -0.847600 -5.8274E+00 1.7433E+01 1.6725E+00 H1 5537 1.008000 0.423800 -6.3190E+00 1.8016E+01 1.0253E+00 H2 5538 1.008000 0.423800 -4.8717E+00 1.7723E+01 1.7225E+00 O6 5539 15.999400 -0.847600 -4.2259E-01 -4.0368E-01 -6.1102E+00 H1 5540 1.008000 0.423800 3.1421E-01 2.6652E-01 -6.1996E+00 H2 5541 1.008000 0.423800 -9.1372E-01 -4.7675E-01 -6.9782E+00 O6 5542 15.999400 -0.847600 1.4352E+01 -6.2204E-01 1.5921E+01 H1 5543 1.008000 0.423800 1.4884E+01 -1.0957E+00 1.5219E+01 H2 5544 1.008000 0.423800 1.4658E+01 3.2778E-01 1.5987E+01 O6 5545 15.999400 -0.847600 -1.3993E+01 6.5937E+00 1.1172E+01 H1 5546 1.008000 0.423800 -1.3557E+01 5.8254E+00 1.1640E+01 H2 5547 1.008000 0.423800 -1.4887E+01 6.3092E+00 1.0826E+01 O6 5548 15.999400 -0.847600 1.0201E+01 -1.2049E+01 1.8597E+01 H1 5549 1.008000 0.423800 1.0455E+01 -1.2358E+01 1.7681E+01 H2 5550 1.008000 0.423800 9.9767E+00 -1.2841E+01 1.9166E+01 O6 5551 15.999400 -0.847600 3.4216E+00 8.3381E+00 -1.5158E+01 H1 5552 1.008000 0.423800 2.9831E+00 9.0031E+00 -1.5763E+01 H2 5553 1.008000 0.423800 2.8042E+00 7.5658E+00 -1.5009E+01 O6 5554 15.999400 -0.847600 7.3232E+00 8.8255E+00 -2.4654E+00 H1 5555 1.008000 0.423800 6.8594E+00 8.5661E+00 -1.6183E+00 H2 5556 1.008000 0.423800 6.8732E+00 9.6268E+00 -2.8597E+00 O6 5557 15.999400 -0.847600 -9.8236E+00 1.5362E+01 -3.1920E+00 H1 5558 1.008000 0.423800 -1.0105E+01 1.6116E+01 -2.5985E+00 H2 5559 1.008000 0.423800 -9.2362E+00 1.4735E+01 -2.6795E+00 O6 5560 15.999400 -0.847600 -1.3557E+00 1.6787E+01 -1.4549E+01 H1 5561 1.008000 0.423800 -1.1335E+00 1.6229E+01 -1.3749E+01 H2 5562 1.008000 0.423800 -2.3299E+00 1.7013E+01 -1.4537E+01 O6 5563 15.999400 -0.847600 -9.5739E+00 1.7844E+01 5.3987E-01 H1 5564 1.008000 0.423800 -9.5665E+00 1.7229E+01 1.3277E+00 H2 5565 1.008000 0.423800 -1.0320E+01 1.7590E+01 -7.5032E-02 O6 5566 15.999400 -0.847600 3.0605E-01 -1.4773E+01 1.9296E+01 H1 5567 1.008000 0.423800 1.2817E+00 -1.4835E+01 1.9507E+01 H2 5568 1.008000 0.423800 5.0699E-02 -1.3814E+01 1.9176E+01 O6 5569 15.999400 -0.847600 1.6900E+01 5.0240E+00 8.2933E+00 H1 5570 1.008000 0.423800 1.6768E+01 5.2011E+00 9.2686E+00 H2 5571 1.008000 0.423800 1.6115E+01 4.5175E+00 7.9370E+00 O6 5572 15.999400 -0.847600 1.5366E+00 -1.1929E+01 -1.2400E-01 H1 5573 1.008000 0.423800 1.8046E+00 -1.1751E+01 -1.0708E+00 H2 5574 1.008000 0.423800 6.2270E-01 -1.1558E+01 3.9130E-02 O6 5575 15.999400 -0.847600 -1.7728E+01 -1.5818E+01 1.5582E+01 H1 5576 1.008000 0.423800 -1.8330E+01 -1.5549E+01 1.6334E+01 H2 5577 1.008000 0.423800 -1.6850E+01 -1.6123E+01 1.5951E+01 O6 5578 15.999400 -0.847600 -1.5026E+01 -1.3946E+01 -3.3886E+00 H1 5579 1.008000 0.423800 -1.4982E+01 -1.3996E+01 -2.3908E+00 H2 5580 1.008000 0.423800 -1.4100E+01 -1.3973E+01 -3.7647E+00 O6 5581 15.999400 -0.847600 9.0959E+00 -3.9890E+00 -6.5286E-02 H1 5582 1.008000 0.423800 9.3718E+00 -4.2830E+00 -9.8044E-01 H2 5583 1.008000 0.423800 9.2516E+00 -3.0058E+00 2.9894E-02 O6 5584 15.999400 -0.847600 -1.4492E+01 -6.5891E+00 -5.7369E-02 H1 5585 1.008000 0.423800 -1.5011E+01 -6.7284E+00 -9.0123E-01 H2 5586 1.008000 0.423800 -1.4167E+01 -5.6442E+00 -1.8011E-02 O6 5587 15.999400 -0.847600 -9.7362E-01 3.1721E+00 -4.7087E+00 H1 5588 1.008000 0.423800 -1.8880E+00 3.5655E+00 -4.6125E+00 H2 5589 1.008000 0.423800 -6.3744E-01 3.3332E+00 -5.6366E+00 O6 5590 15.999400 -0.847600 4.0736E+00 -9.2649E+00 -1.5396E+01 H1 5591 1.008000 0.423800 3.4436E+00 -9.9231E+00 -1.4984E+01 H2 5592 1.008000 0.423800 5.0039E+00 -9.4508E+00 -1.5080E+01 O6 5593 15.999400 -0.847600 -5.1260E+00 1.3148E+01 3.6127E-01 H1 5594 1.008000 0.423800 -5.2098E+00 1.2166E+01 5.3089E-01 H2 5595 1.008000 0.423800 -4.1593E+00 1.3391E+01 2.8081E-01 O6 5596 15.999400 -0.847600 -1.2327E+01 -1.5428E+01 2.6259E+00 H1 5597 1.008000 0.423800 -1.2599E+01 -1.4637E+01 2.0775E+00 H2 5598 1.008000 0.423800 -1.2760E+01 -1.6252E+01 2.2602E+00 O6 5599 15.999400 -0.847600 1.1950E+01 -4.4225E+00 1.3346E+01 H1 5600 1.008000 0.423800 1.1811E+01 -3.8039E+00 1.2573E+01 H2 5601 1.008000 0.423800 1.1136E+01 -4.9900E+00 1.3469E+01 O6 5602 15.999400 -0.847600 1.3833E+00 1.0145E+01 9.7995E+00 H1 5603 1.008000 0.423800 1.9073E+00 9.4623E+00 1.0309E+01 H2 5604 1.008000 0.423800 4.5470E-01 9.8066E+00 9.6471E+00 O6 5605 15.999400 -0.847600 5.1357E+00 -3.2685E+00 -1.8169E+01 H1 5606 1.008000 0.423800 4.5872E+00 -4.0722E+00 -1.8400E+01 H2 5607 1.008000 0.423800 6.1068E+00 -3.5009E+00 -1.8223E+01 O6 5608 15.999400 -0.847600 -9.1078E+00 -2.2882E+00 1.5564E+01 H1 5609 1.008000 0.423800 -8.9246E+00 -2.5113E+00 1.6521E+01 H2 5610 1.008000 0.423800 -8.8331E+00 -3.0554E+00 1.4985E+01 O6 5611 15.999400 -0.847600 1.9378E+00 8.2029E+00 1.9525E+01 H1 5612 1.008000 0.423800 2.3398E+00 7.2875E+00 1.9503E+01 H2 5613 1.008000 0.423800 2.6578E+00 8.8794E+00 -1.9418E+01 O6 5614 15.999400 -0.847600 -1.8116E+01 -1.0474E+00 -4.9601E+00 H1 5615 1.008000 0.423800 -1.7197E+01 -1.3539E+00 -4.7086E+00 H2 5616 1.008000 0.423800 -1.8792E+01 -1.5291E+00 -4.4030E+00 O6 5617 15.999400 -0.847600 -3.1463E+00 4.3136E+00 -5.7659E+00 H1 5618 1.008000 0.423800 -2.2895E+00 4.6967E+00 -6.1112E+00 H2 5619 1.008000 0.423800 -3.6039E+00 3.8078E+00 -6.4972E+00 O6 5620 15.999400 -0.847600 1.3253E+01 -4.8877E+00 -1.7137E+01 H1 5621 1.008000 0.423800 1.4008E+01 -5.4819E+00 -1.6859E+01 H2 5622 1.008000 0.423800 1.3600E+01 -4.1649E+00 -1.7734E+01 O6 5623 15.999400 -0.847600 -5.3376E-01 1.3363E+01 -5.1968E+00 H1 5624 1.008000 0.423800 -5.0637E-01 1.2655E+01 -5.9029E+00 H2 5625 1.008000 0.423800 -6.3289E-01 1.2934E+01 -4.2989E+00 O6 5626 15.999400 -0.847600 1.2777E+01 -1.8674E+01 -9.7587E+00 H1 5627 1.008000 0.423800 1.3098E+01 -1.7831E+01 -9.3272E+00 H2 5628 1.008000 0.423800 1.3039E+01 -1.9457E+01 -9.1947E+00 O6 5629 15.999400 -0.847600 7.4326E+00 -1.3801E+01 1.7887E+01 H1 5630 1.008000 0.423800 6.9974E+00 -1.2941E+01 1.7621E+01 H2 5631 1.008000 0.423800 7.8357E+00 -1.4234E+01 1.7081E+01 O6 5632 15.999400 -0.847600 7.3016E-01 8.9244E+00 1.6938E+01 H1 5633 1.008000 0.423800 1.2570E+00 8.4689E+00 1.7655E+01 H2 5634 1.008000 0.423800 1.1713E+00 9.7893E+00 1.6698E+01 O6 5635 15.999400 -0.847600 1.3584E+01 -1.6735E+01 -1.2527E+01 H1 5636 1.008000 0.423800 1.3677E+01 -1.6134E+01 -1.1733E+01 H2 5637 1.008000 0.423800 1.3900E+01 -1.7654E+01 -1.2287E+01 O6 5638 15.999400 -0.847600 -4.3869E+00 -6.3176E+00 -1.1512E+01 H1 5639 1.008000 0.423800 -5.2359E+00 -6.8348E+00 -1.1620E+01 H2 5640 1.008000 0.423800 -4.0263E+00 -6.0769E+00 -1.2413E+01 O6 5641 15.999400 -0.847600 4.8659E+00 1.1013E+01 9.0670E+00 H1 5642 1.008000 0.423800 4.4383E+00 1.1492E+01 9.8339E+00 H2 5643 1.008000 0.423800 4.3874E+00 1.0150E+01 8.9041E+00 O6 5644 15.999400 -0.847600 1.2110E+01 1.8056E+01 8.4781E+00 H1 5645 1.008000 0.423800 1.1909E+01 1.7978E+01 9.4546E+00 H2 5646 1.008000 0.423800 1.2166E+01 1.9022E+01 8.2258E+00 O6 5647 15.999400 -0.847600 4.7409E+00 1.8065E+01 -1.9524E+01 H1 5648 1.008000 0.423800 3.8287E+00 1.8260E+01 1.9214E+01 H2 5649 1.008000 0.423800 4.6732E+00 1.7378E+01 -1.8800E+01 O6 5650 15.999400 -0.847600 -6.9169E+00 -1.0888E+01 1.3622E+01 H1 5651 1.008000 0.423800 -7.6519E+00 -1.1502E+01 1.3333E+01 H2 5652 1.008000 0.423800 -6.6429E+00 -1.1113E+01 1.4557E+01 O6 5653 15.999400 -0.847600 -1.3364E+01 7.5988E+00 -6.6458E+00 H1 5654 1.008000 0.423800 -1.4355E+01 7.5776E+00 -6.5093E+00 H2 5655 1.008000 0.423800 -1.2905E+01 7.5368E+00 -5.7600E+00 O6 5656 15.999400 -0.847600 -1.8007E+01 -1.5400E+01 7.0063E+00 H1 5657 1.008000 0.423800 -1.9005E+01 -1.5457E+01 6.9821E+00 H2 5658 1.008000 0.423800 -1.7674E+01 -1.5004E+01 6.1503E+00 O6 5659 15.999400 -0.847600 -1.6329E+01 1.3275E+01 -1.8693E+01 H1 5660 1.008000 0.423800 -1.5911E+01 1.3735E+01 -1.9477E+01 H2 5661 1.008000 0.423800 -1.5736E+01 1.2529E+01 -1.8390E+01 O6 5662 15.999400 -0.847600 8.6184E+00 -9.1871E+00 4.4339E+00 H1 5663 1.008000 0.423800 8.6974E+00 -8.1906E+00 4.4039E+00 H2 5664 1.008000 0.423800 8.0334E+00 -9.4977E+00 3.6847E+00 O6 5665 15.999400 -0.847600 6.8068E+00 8.8849E-01 9.2529E+00 H1 5666 1.008000 0.423800 6.2369E+00 7.6413E-01 1.0065E+01 H2 5667 1.008000 0.423800 6.4883E+00 2.7994E-01 8.5261E+00 O6 5668 15.999400 -0.847600 1.5374E+01 4.6536E+00 1.6756E+01 H1 5669 1.008000 0.423800 1.5237E+01 4.5229E+00 1.7738E+01 H2 5670 1.008000 0.423800 1.5957E+01 5.4520E+00 1.6605E+01 O6 5671 15.999400 -0.847600 3.9142E-01 4.3788E+00 1.8695E+01 H1 5672 1.008000 0.423800 6.2296E-01 3.7619E+00 1.7943E+01 H2 5673 1.008000 0.423800 -2.1653E-01 5.0988E+00 1.8361E+01 O6 5674 15.999400 -0.847600 5.3992E+00 1.3160E+01 7.0286E+00 H1 5675 1.008000 0.423800 4.6712E+00 1.2790E+01 6.4510E+00 H2 5676 1.008000 0.423800 5.5111E+00 1.2580E+01 7.8355E+00 O6 5677 15.999400 -0.847600 -1.5169E+01 -3.8789E+00 1.4295E+01 H1 5678 1.008000 0.423800 -1.4788E+01 -3.0247E+00 1.4649E+01 H2 5679 1.008000 0.423800 -1.4424E+01 -4.5069E+00 1.4068E+01 O6 5680 15.999400 -0.847600 -9.4928E+00 -1.2410E+01 2.3677E+00 H1 5681 1.008000 0.423800 -9.3319E+00 -1.3394E+01 2.2907E+00 H2 5682 1.008000 0.423800 -8.6238E+00 -1.1922E+01 2.2826E+00 O6 5683 15.999400 -0.847600 6.8590E+00 -1.4959E+01 6.8049E+00 H1 5684 1.008000 0.423800 7.2231E+00 -1.4521E+01 7.6266E+00 H2 5685 1.008000 0.423800 6.1797E+00 -1.5645E+01 7.0664E+00 O6 5686 15.999400 -0.847600 6.2132E+00 -7.0452E+00 -8.9533E+00 H1 5687 1.008000 0.423800 5.8812E+00 -7.7611E+00 -8.3391E+00 H2 5688 1.008000 0.423800 5.6747E+00 -6.2136E+00 -8.8177E+00 O6 5689 15.999400 -0.847600 -5.5836E+00 1.3514E+01 7.4792E+00 H1 5690 1.008000 0.423800 -6.2387E+00 1.2763E+01 7.3908E+00 H2 5691 1.008000 0.423800 -4.7247E+00 1.3164E+01 7.8532E+00 O6 5692 15.999400 -0.847600 1.4566E+01 -1.1422E+01 -7.5649E+00 H1 5693 1.008000 0.423800 1.4986E+01 -1.0516E+01 -7.5291E+00 H2 5694 1.008000 0.423800 1.5099E+01 -1.2059E+01 -7.0082E+00 O6 5695 15.999400 -0.847600 -3.3555E+00 1.9524E+01 -4.8270E+00 H1 5696 1.008000 0.423800 -3.0800E+00 -1.9408E+01 -3.8802E+00 H2 5697 1.008000 0.423800 -2.8684E+00 -1.8944E+01 -5.4315E+00 O6 5698 15.999400 -0.847600 1.9373E+01 9.3641E+00 -1.6581E+01 H1 5699 1.008000 0.423800 1.8563E+01 8.9102E+00 -1.6953E+01 H2 5700 1.008000 0.423800 1.9154E+01 1.0317E+01 -1.6371E+01 O6 5701 15.999400 -0.847600 -7.4150E+00 1.0902E+01 1.1463E+01 H1 5702 1.008000 0.423800 -7.7098E+00 1.1856E+01 1.1405E+01 H2 5703 1.008000 0.423800 -7.4190E+00 1.0496E+01 1.0549E+01 O6 5704 15.999400 -0.847600 -1.1265E+01 7.5711E+00 -1.0765E+01 H1 5705 1.008000 0.423800 -1.1304E+01 8.2869E+00 -1.0068E+01 H2 5706 1.008000 0.423800 -1.1158E+01 7.9898E+00 -1.1667E+01 O6 5707 15.999400 -0.847600 -7.4307E+00 7.2038E-01 -1.9282E+01 H1 5708 1.008000 0.423800 -8.1126E+00 1.4515E+00 -1.9260E+01 H2 5709 1.008000 0.423800 -7.6132E+00 7.2425E-02 -1.8542E+01 O6 5710 15.999400 -0.847600 5.2040E+00 -4.1226E+00 -2.6407E+00 H1 5711 1.008000 0.423800 6.1674E+00 -4.0213E+00 -2.8887E+00 H2 5712 1.008000 0.423800 4.8983E+00 -5.0485E+00 -2.8627E+00 O6 5713 15.999400 -0.847600 1.4987E+01 1.0295E+01 -6.2265E+00 H1 5714 1.008000 0.423800 1.5876E+01 1.0442E+01 -5.7936E+00 H2 5715 1.008000 0.423800 1.4986E+01 1.0709E+01 -7.1365E+00 O6 5716 15.999400 -0.847600 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15.999400 -0.847600 7.9063E+00 -1.5766E+01 -2.1165E+00 H1 5750 1.008000 0.423800 7.3606E+00 -1.6549E+01 -1.8176E+00 H2 5751 1.008000 0.423800 8.4600E+00 -1.6028E+01 -2.9070E+00 O6 5752 15.999400 -0.847600 1.5634E+01 -5.5552E+00 -4.9693E+00 H1 5753 1.008000 0.423800 1.4746E+01 -5.3081E+00 -5.3559E+00 H2 5754 1.008000 0.423800 1.5932E+01 -6.4301E+00 -5.3511E+00 O6 5755 15.999400 -0.847600 -5.2602E+00 -1.5614E+01 -1.6680E+01 H1 5756 1.008000 0.423800 -4.9206E+00 -1.4802E+01 -1.7155E+01 H2 5757 1.008000 0.423800 -4.5725E+00 -1.5930E+01 -1.6026E+01 O6 5758 15.999400 -0.847600 9.1004E+00 1.2060E+01 -1.5139E+01 H1 5759 1.008000 0.423800 8.7428E+00 1.1130E+01 -1.5225E+01 H2 5760 1.008000 0.423800 1.0100E+01 1.2035E+01 -1.5141E+01 O6 5761 15.999400 -0.847600 9.8702E+00 1.5343E+01 -1.1626E+01 H1 5762 1.008000 0.423800 9.6648E+00 1.5411E+01 -1.0650E+01 H2 5763 1.008000 0.423800 1.0035E+01 1.4386E+01 -1.1865E+01 O6 5764 15.999400 -0.847600 1.1353E-01 1.4790E+01 1.2091E+01 H1 5765 1.008000 0.423800 9.1781E-01 1.5382E+01 1.2042E+01 H2 5766 1.008000 0.423800 4.0003E-01 1.3833E+01 1.2034E+01 O6 5767 15.999400 -0.847600 -8.9256E+00 6.1105E+00 2.0573E-01 H1 5768 1.008000 0.423800 -8.0810E+00 5.5935E+00 6.6510E-02 H2 5769 1.008000 0.423800 -8.9489E+00 6.8867E+00 -4.2424E-01 O6 5770 15.999400 -0.847600 -1.6867E+01 -6.1339E+00 1.2026E+01 H1 5771 1.008000 0.423800 -1.7533E+01 -6.6285E+00 1.1468E+01 H2 5772 1.008000 0.423800 -1.6534E+01 -6.7316E+00 1.2756E+01 O6 5773 15.999400 -0.847600 -1.9303E+01 7.6222E+00 -1.0296E+01 H1 5774 1.008000 0.423800 -1.9484E+01 8.6001E+00 -1.0192E+01 H2 5775 1.008000 0.423800 -1.8315E+01 7.4654E+00 -1.0304E+01 O6 5776 15.999400 -0.847600 -9.6843E+00 -9.5613E+00 -1.6263E+01 H1 5777 1.008000 0.423800 -1.0602E+01 -9.9585E+00 -1.6272E+01 H2 5778 1.008000 0.423800 -9.1598E+00 -9.9513E+00 -1.5506E+01 O6 5779 15.999400 -0.847600 1.2784E+01 8.4719E+00 -1.9187E+00 H1 5780 1.008000 0.423800 1.1884E+01 8.3846E+00 -2.3457E+00 H2 5781 1.008000 0.423800 1.2850E+01 9.3570E+00 -1.4578E+00 O6 5782 15.999400 -0.847600 1.5885E+01 3.9044E+00 1.2417E+01 H1 5783 1.008000 0.423800 1.6390E+01 3.0598E+00 1.2594E+01 H2 5784 1.008000 0.423800 1.4976E+01 3.6812E+00 1.2064E+01 O6 5785 15.999400 -0.847600 1.6028E+01 -1.6149E+01 -4.2129E+00 H1 5786 1.008000 0.423800 1.6854E+01 -1.6121E+01 -3.6501E+00 H2 5787 1.008000 0.423800 1.6189E+01 -1.6727E+01 -5.0130E+00 O6 5788 15.999400 -0.847600 9.2324E+00 1.1982E+01 7.9759E+00 H1 5789 1.008000 0.423800 9.9368E+00 1.1650E+01 8.6033E+00 H2 5790 1.008000 0.423800 9.1434E+00 1.1347E+01 7.2086E+00 O6 5791 15.999400 -0.847600 1.4435E+01 -1.3230E+01 9.8331E+00 H1 5792 1.008000 0.423800 1.5059E+01 -1.2658E+01 1.0365E+01 H2 5793 1.008000 0.423800 1.4413E+01 -1.2910E+01 8.8861E+00 O6 5794 15.999400 -0.847600 -1.4367E+01 -5.2593E-01 1.1694E+01 H1 5795 1.008000 0.423800 -1.5263E+01 -7.3478E-01 1.2087E+01 H2 5796 1.008000 0.423800 -1.4338E+01 4.3689E-01 1.1425E+01 O6 5797 15.999400 -0.847600 -1.5978E+01 -1.2176E+01 2.6659E+00 H1 5798 1.008000 0.423800 -1.6454E+01 -1.2747E+01 3.3346E+00 H2 5799 1.008000 0.423800 -1.5826E+01 -1.2700E+01 1.8280E+00 O6 5800 15.999400 -0.847600 -1.8988E+01 2.6393E-01 1.8259E+01 H1 5801 1.008000 0.423800 1.9188E+01 -1.0158E-01 1.8390E+01 H2 5802 1.008000 0.423800 -1.8475E+01 1.8848E-01 1.9115E+01 O6 5803 15.999400 -0.847600 1.5766E+01 -4.9835E+00 9.1101E+00 H1 5804 1.008000 0.423800 1.5547E+01 -4.1064E+00 9.5375E+00 H2 5805 1.008000 0.423800 1.4920E+01 -5.4818E+00 8.9192E+00 O6 5806 15.999400 -0.847600 5.8523E+00 -1.1995E+01 3.8358E+00 H1 5807 1.008000 0.423800 5.8274E+00 -1.2910E+01 3.4337E+00 H2 5808 1.008000 0.423800 5.4630E+00 -1.2025E+01 4.7564E+00 O6 5809 15.999400 -0.847600 -2.2719E+00 -2.1644E+00 -1.1666E+01 H1 5810 1.008000 0.423800 -1.6657E+00 -1.9171E+00 -1.0910E+01 H2 5811 1.008000 0.423800 -1.9062E+00 -2.9667E+00 -1.2137E+01 O6 5812 15.999400 -0.847600 -9.5315E-02 -1.4862E+01 -7.9640E+00 H1 5813 1.008000 0.423800 2.5357E-01 -1.4867E+01 -7.0269E+00 H2 5814 1.008000 0.423800 -1.0687E+00 -1.5091E+01 -7.9586E+00 O6 5815 15.999400 -0.847600 3.1095E+00 1.0056E+01 -1.2978E+01 H1 5816 1.008000 0.423800 3.1660E+00 9.3334E+00 -1.3667E+01 H2 5817 1.008000 0.423800 3.9298E+00 1.0626E+01 -1.3024E+01 O6 5818 15.999400 -0.847600 4.0172E+00 1.2843E+01 1.0891E+01 H1 5819 1.008000 0.423800 3.1339E+00 1.3282E+01 1.1057E+01 H2 5820 1.008000 0.423800 4.6356E+00 1.3495E+01 1.0451E+01 O6 5821 15.999400 -0.847600 9.8427E+00 1.8728E+01 -4.7333E+00 H1 5822 1.008000 0.423800 1.0639E+01 1.8893E+01 -4.1512E+00 H2 5823 1.008000 0.423800 9.2892E+00 -1.9538E+01 -4.7848E+00 O6 5824 15.999400 -0.847600 1.6131E+01 1.7113E+01 1.5770E+01 H1 5825 1.008000 0.423800 1.5685E+01 1.7500E+01 1.6577E+01 H2 5826 1.008000 0.423800 1.6846E+01 1.7735E+01 1.5454E+01 O6 5827 15.999400 -0.847600 1.3068E+01 8.9615E+00 -1.1934E+01 H1 5828 1.008000 0.423800 1.3589E+01 8.1159E+00 -1.1818E+01 H2 5829 1.008000 0.423800 1.3537E+01 9.5542E+00 -1.2589E+01 O6 5830 15.999400 -0.847600 5.9929E+00 -7.0347E+00 -4.6550E+00 H1 5831 1.008000 0.423800 5.4517E+00 -6.8376E+00 -5.4726E+00 H2 5832 1.008000 0.423800 5.4166E+00 -6.9405E+00 -3.8432E+00 O6 5833 15.999400 -0.847600 1.0237E+01 1.3332E+01 -2.8146E+00 H1 5834 1.008000 0.423800 1.0183E+01 1.3102E+01 -3.7864E+00 H2 5835 1.008000 0.423800 9.6553E+00 1.2708E+01 -2.2921E+00 O6 5836 15.999400 -0.847600 5.3322E+00 -1.6332E+01 1.8048E+01 H1 5837 1.008000 0.423800 4.6364E+00 -1.5641E+01 1.7853E+01 H2 5838 1.008000 0.423800 5.3381E+00 -1.6532E+01 1.9028E+01 O6 5839 15.999400 -0.847600 1.8343E+01 -9.5258E+00 -1.4262E+01 H1 5840 1.008000 0.423800 1.9197E+01 -1.0002E+01 -1.4473E+01 H2 5841 1.008000 0.423800 1.7670E+01 -9.7164E+00 -1.4976E+01 O6 5842 15.999400 -0.847600 -1.6025E+01 7.2846E+00 -6.4811E+00 H1 5843 1.008000 0.423800 -1.5950E+01 6.6264E+00 -7.2302E+00 H2 5844 1.008000 0.423800 -1.6971E+01 7.6030E+00 -6.4105E+00 O6 5845 15.999400 -0.847600 -1.9578E+00 -1.1968E+01 -1.4819E+01 H1 5846 1.008000 0.423800 -1.2850E+00 -1.1373E+01 -1.5258E+01 H2 5847 1.008000 0.423800 -1.5809E+00 -1.2891E+01 -1.4733E+01 O6 5848 15.999400 -0.847600 -4.4302E+00 -1.0245E+01 1.0134E+01 H1 5849 1.008000 0.423800 -4.4758E+00 -9.7837E+00 9.2478E+00 H2 5850 1.008000 0.423800 -3.8463E+00 -1.1053E+01 1.0059E+01 O6 5851 15.999400 -0.847600 -1.3136E+01 1.6591E+01 1.3116E+01 H1 5852 1.008000 0.423800 -1.3974E+01 1.7077E+01 1.2868E+01 H2 5853 1.008000 0.423800 -1.2684E+01 1.7069E+01 1.3869E+01 O6 5854 15.999400 -0.847600 7.2831E+00 2.8300E+00 1.5823E+01 H1 5855 1.008000 0.423800 7.8684E+00 3.6357E+00 1.5913E+01 H2 5856 1.008000 0.423800 6.3269E+00 3.1172E+00 1.5767E+01 O6 5857 15.999400 -0.847600 -3.3076E-01 1.9005E+01 -5.3223E+00 H1 5858 1.008000 0.423800 -9.4390E-01 1.9490E+01 -4.6984E+00 H2 5859 1.008000 0.423800 -2.0326E-01 1.8067E+01 -5.0019E+00 O6 5860 15.999400 -0.847600 9.1624E+00 1.4993E+01 -8.6346E+00 H1 5861 1.008000 0.423800 8.5393E+00 1.4212E+01 -8.6720E+00 H2 5862 1.008000 0.423800 8.6790E+00 1.5787E+01 -8.2670E+00 O6 5863 15.999400 -0.847600 1.2268E+00 6.0387E+00 -3.4783E+00 H1 5864 1.008000 0.423800 1.6886E+00 5.2252E+00 -3.8317E+00 H2 5865 1.008000 0.423800 1.4324E+00 6.1424E+00 -2.5052E+00 O6 5866 15.999400 -0.847600 1.5274E+01 -9.0975E+00 -4.7085E+00 H1 5867 1.008000 0.423800 1.4934E+01 -9.2869E+00 -5.6296E+00 H2 5868 1.008000 0.423800 1.5827E+01 -9.8684E+00 -4.3926E+00 O6 5869 15.999400 -0.847600 -1.5037E-01 1.1646E+01 -1.5276E+01 H1 5870 1.008000 0.423800 -2.0588E-03 1.0680E+01 -1.5487E+01 H2 5871 1.008000 0.423800 7.2781E-01 1.2125E+01 -1.5269E+01 O6 5872 15.999400 -0.847600 -1.9005E+01 6.0475E+00 -1.7114E+01 H1 5873 1.008000 0.423800 -1.8582E+01 6.4501E+00 -1.7926E+01 H2 5874 1.008000 0.423800 -1.8293E+01 5.6958E+00 -1.6507E+01 O6 5875 15.999400 -0.847600 1.5720E+01 -1.2307E+01 1.8091E+01 H1 5876 1.008000 0.423800 1.5710E+01 -1.1585E+01 1.7399E+01 H2 5877 1.008000 0.423800 1.5536E+01 -1.3188E+01 1.7656E+01 O6 5878 15.999400 -0.847600 -1.6748E+01 1.7595E+01 -1.6475E+01 H1 5879 1.008000 0.423800 -1.7174E+01 1.6729E+01 -1.6213E+01 H2 5880 1.008000 0.423800 -1.6023E+01 1.7820E+01 -1.5824E+01 O6 5881 15.999400 -0.847600 8.8237E+00 1.9160E+01 -1.0196E+00 H1 5882 1.008000 0.423800 9.4380E+00 1.9286E+01 -1.7986E+00 H2 5883 1.008000 0.423800 9.3624E+00 1.8988E+01 -1.9490E-01 O6 5884 15.999400 -0.847600 -1.6611E+01 5.1354E+00 -1.0929E+01 H1 5885 1.008000 0.423800 -1.7100E+01 4.2677E+00 -1.0841E+01 H2 5886 1.008000 0.423800 -1.5873E+01 5.0356E+00 -1.1597E+01 O6 5887 15.999400 -0.847600 1.4773E+01 1.1128E+01 -8.7262E+00 H1 5888 1.008000 0.423800 1.4289E+01 1.1911E+01 -9.1192E+00 H2 5889 1.008000 0.423800 1.5517E+01 1.0856E+01 -9.3358E+00 O6 5890 15.999400 -0.847600 4.8496E-01 -6.3264E-03 5.9732E+00 H1 5891 1.008000 0.423800 4.7667E-01 9.8600E-01 6.0967E+00 H2 5892 1.008000 0.423800 -4.1646E-01 -3.7744E-01 6.1961E+00 O6 5893 15.999400 -0.847600 6.7629E+00 3.8814E-01 1.8366E+01 H1 5894 1.008000 0.423800 7.1597E+00 3.1805E-01 1.9281E+01 H2 5895 1.008000 0.423800 7.4560E+00 1.5606E-01 1.7683E+01 O6 5896 15.999400 -0.847600 3.0334E+00 -1.5715E+01 3.3683E+00 H1 5897 1.008000 0.423800 2.4701E+00 -1.5033E+01 2.9015E+00 H2 5898 1.008000 0.423800 2.6275E+00 -1.6621E+01 3.2484E+00 O6 5899 15.999400 -0.847600 -1.5371E+01 5.3549E+00 -1.7440E+01 H1 5900 1.008000 0.423800 -1.5878E+01 5.8055E+00 -1.6705E+01 H2 5901 1.008000 0.423800 -1.5688E+01 4.4108E+00 -1.7533E+01 O6 5902 15.999400 -0.847600 2.5074E+00 5.1906E+00 -9.9769E-01 H1 5903 1.008000 0.423800 2.1450E+00 4.2658E+00 -1.1136E+00 H2 5904 1.008000 0.423800 3.4748E+00 5.2035E+00 -1.2504E+00 O6 5905 15.999400 -0.847600 1.9577E+00 8.7945E-01 -6.1728E+00 H1 5906 1.008000 0.423800 2.0756E+00 5.6274E-01 -7.1139E+00 H2 5907 1.008000 0.423800 2.7858E+00 1.3540E+00 -5.8746E+00 O6 5908 15.999400 -0.847600 -3.4114E+00 1.6904E-01 -1.2351E+01 H1 5909 1.008000 0.423800 -4.1914E+00 6.6803E-02 -1.1733E+01 H2 5910 1.008000 0.423800 -2.9808E+00 -7.2203E-01 -1.2494E+01 O6 5911 15.999400 -0.847600 -9.4039E+00 -1.7142E+01 -2.0127E+00 H1 5912 1.008000 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-1.5622E+01 -1.2617E+01 1.4094E+01 O6 5929 15.999400 -0.847600 -1.3222E+01 7.8885E+00 -1.5219E+01 H1 5930 1.008000 0.423800 -1.3360E+01 7.8050E+00 -1.6206E+01 H2 5931 1.008000 0.423800 -1.2325E+01 7.5193E+00 -1.4975E+01 O6 5932 15.999400 -0.847600 -4.2842E+00 1.3630E+00 -3.1072E+00 H1 5933 1.008000 0.423800 -5.0313E+00 1.0951E+00 -2.4989E+00 H2 5934 1.008000 0.423800 -3.9050E+00 2.2373E+00 -2.8042E+00 O6 5935 15.999400 -0.847600 1.8189E+01 -2.1048E+00 1.6248E+01 H1 5936 1.008000 0.423800 1.7539E+01 -2.1560E+00 1.5489E+01 H2 5937 1.008000 0.423800 1.7867E+01 -1.4351E+00 1.6917E+01 O6 5938 15.999400 -0.847600 -2.5556E+00 4.7043E-01 -1.8106E+01 H1 5939 1.008000 0.423800 -3.4095E+00 9.0334E-01 -1.8395E+01 H2 5940 1.008000 0.423800 -1.7827E+00 9.4141E-01 -1.8531E+01 O6 5941 15.999400 -0.847600 -8.7507E-02 -9.4791E+00 -1.8063E-01 H1 5942 1.008000 0.423800 5.9623E-01 -9.3235E+00 -8.9361E-01 H2 5943 1.008000 0.423800 -3.0393E-01 -8.6122E+00 2.6840E-01 O6 5944 15.999400 -0.847600 1.6490E+01 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-2.1853E+00 H2 5994 1.008000 0.423800 -7.5060E+00 -1.2996E+01 -1.8891E+00 O6 5995 15.999400 -0.847600 1.6225E+01 1.4356E+01 1.1675E+00 H1 5996 1.008000 0.423800 1.7221E+01 1.4420E+01 1.2295E+00 H2 5997 1.008000 0.423800 1.5931E+01 1.4621E+01 2.4927E-01 O6 5998 15.999400 -0.847600 1.7162E+01 7.7448E+00 -3.9935E+00 H1 5999 1.008000 0.423800 1.6227E+01 7.8155E+00 -3.6462E+00 H2 6000 1.008000 0.423800 1.7255E+01 6.9074E+00 -4.5321E+00 O6 6001 15.999400 -0.847600 -6.5279E+00 -1.6480E+01 7.1507E+00 H1 6002 1.008000 0.423800 -6.3892E+00 -1.6106E+01 6.2336E+00 H2 6003 1.008000 0.423800 -7.0024E+00 -1.5806E+01 7.7169E+00 O6 6004 15.999400 -0.847600 -8.9632E+00 -1.2455E+00 1.2410E+01 H1 6005 1.008000 0.423800 -8.8554E+00 -1.1486E+00 1.3399E+01 H2 6006 1.008000 0.423800 -8.1864E+00 -8.1897E-01 1.1946E+01 timestep 90001 6006 0 1 0.001000 39.10 0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.2059E+01 1.0632E+01 2.3560E+00 O1 2 15.999400 -1.000000 -1.1402E+01 1.0311E+01 8.5465E-01 O2 3 15.999400 -1.000000 -1.3684E+01 1.0247E+01 2.3467E+00 O3 4 15.999400 -1.000000 -1.1276E+01 9.7173E+00 3.5135E+00 O4 5 15.999400 -1.000000 -1.1873E+01 1.2254E+01 2.7090E+00 CU 6 63.465000 2.000000 -1.0897E+01 8.7148E+00 4.9957E+00 O6 7 15.999400 -0.847600 1.5721E+01 1.4792E+01 1.2588E+01 H1 8 1.008000 0.423800 1.5303E+01 1.5558E+01 1.3076E+01 H2 9 1.008000 0.423800 1.5146E+01 1.4539E+01 1.1810E+01 O6 10 15.999400 -0.847600 1.1052E+01 9.4132E+00 9.2944E+00 H1 11 1.008000 0.423800 1.0907E+01 1.0013E+01 8.5072E+00 H2 12 1.008000 0.423800 1.2021E+01 9.4161E+00 9.5418E+00 O6 13 15.999400 -0.847600 5.9198E-01 -1.3840E+01 -4.6026E+00 H1 14 1.008000 0.423800 2.9132E-01 -1.4179E+01 -3.7114E+00 H2 15 1.008000 0.423800 -2.0703E-01 -1.3628E+01 -5.1655E+00 O6 16 15.999400 -0.847600 -7.1306E+00 -1.2776E+01 1.1769E+01 H1 17 1.008000 0.423800 -6.9329E+00 -1.2015E+01 1.2387E+01 H2 18 1.008000 0.423800 -7.2290E+00 -1.3619E+01 1.2299E+01 O6 19 15.999400 -0.847600 -1.6112E+01 1.7825E+01 1.5894E+01 H1 20 1.008000 0.423800 -1.5630E+01 1.7007E+01 1.5579E+01 H2 21 1.008000 0.423800 -1.5717E+01 1.8131E+01 1.6760E+01 O6 22 15.999400 -0.847600 -1.3063E+01 1.7038E+01 1.6866E+01 H1 23 1.008000 0.423800 -1.3684E+01 1.6424E+01 1.6377E+01 H2 24 1.008000 0.423800 -1.3088E+01 1.6828E+01 1.7843E+01 O6 25 15.999400 -0.847600 7.2634E+00 3.8159E+00 6.3075E+00 H1 26 1.008000 0.423800 7.4565E+00 4.6364E+00 5.7694E+00 H2 27 1.008000 0.423800 6.9292E+00 3.0923E+00 5.7037E+00 O6 28 15.999400 -0.847600 -1.9257E+00 3.4099E+00 1.1063E+00 H1 29 1.008000 0.423800 -2.0825E+00 3.1329E+00 1.5823E-01 H2 30 1.008000 0.423800 -9.4578E-01 3.5387E+00 1.2582E+00 O6 31 15.999400 -0.847600 -6.4691E+00 1.8339E+01 1.4704E+01 H1 32 1.008000 0.423800 -5.7557E+00 1.9036E+01 1.4624E+01 H2 33 1.008000 0.423800 -7.2808E+00 1.8741E+01 1.5128E+01 O6 34 15.999400 -0.847600 -1.2543E+01 -2.8528E-01 -1.1281E+01 H1 35 1.008000 0.423800 -1.1640E+01 1.2241E-01 -1.1414E+01 H2 36 1.008000 0.423800 -1.3079E+01 2.8610E-01 -1.0659E+01 O6 37 15.999400 -0.847600 4.5550E+00 -4.9890E+00 7.1153E+00 H1 38 1.008000 0.423800 3.7640E+00 -5.4476E+00 7.5204E+00 H2 39 1.008000 0.423800 4.2421E+00 -4.2561E+00 6.5112E+00 O6 40 15.999400 -0.847600 -9.1719E+00 1.9698E+00 -1.3740E+01 H1 41 1.008000 0.423800 -9.8238E+00 2.1461E+00 -1.4478E+01 H2 42 1.008000 0.423800 -8.3039E+00 1.6614E+00 -1.4129E+01 O6 43 15.999400 -0.847600 -5.6947E+00 -1.1208E+01 1.3817E+01 H1 44 1.008000 0.423800 -6.0371E+00 -1.0368E+01 1.4238E+01 H2 45 1.008000 0.423800 -5.6370E+00 -1.1928E+01 1.4509E+01 O6 46 15.999400 -0.847600 -9.6294E+00 8.9902E+00 -3.1808E+00 H1 47 1.008000 0.423800 -9.2983E+00 8.0747E+00 -2.9520E+00 H2 48 1.008000 0.423800 -9.4503E+00 9.6099E+00 -2.4167E+00 O6 49 15.999400 -0.847600 -7.9646E+00 -1.3351E+01 -8.9511E+00 H1 50 1.008000 0.423800 -8.5880E+00 -1.3373E+01 -8.1695E+00 H2 51 1.008000 0.423800 -7.6355E+00 -1.2417E+01 -9.0894E+00 O6 52 15.999400 -0.847600 -1.8273E+01 -6.0895E+00 2.2671E+00 H1 53 1.008000 0.423800 -1.8592E+01 -6.0166E+00 3.2123E+00 H2 54 1.008000 0.423800 -1.7319E+01 -5.7944E+00 2.2129E+00 O6 55 15.999400 -0.847600 -1.5818E+01 -3.1370E+00 -1.2093E+01 H1 56 1.008000 0.423800 -1.6484E+01 -3.7966E+00 -1.1744E+01 H2 57 1.008000 0.423800 -1.5020E+01 -3.1184E+00 -1.1491E+01 O6 58 15.999400 -0.847600 4.2448E+00 -1.2771E+01 -1.1557E+01 H1 59 1.008000 0.423800 3.8023E+00 -1.3376E+01 -1.0896E+01 H2 60 1.008000 0.423800 4.4358E+00 -1.1888E+01 -1.1127E+01 O6 61 15.999400 -0.847600 1.0326E+01 -1.2252E+01 5.3888E+00 H1 62 1.008000 0.423800 9.9587E+00 -1.3101E+01 5.7687E+00 H2 63 1.008000 0.423800 9.6413E+00 -1.1527E+01 5.4670E+00 O6 64 15.999400 -0.847600 2.6898E+00 1.7970E+01 -5.6357E+00 H1 65 1.008000 0.423800 3.2275E+00 1.7168E+01 -5.3736E+00 H2 66 1.008000 0.423800 3.2069E+00 1.8517E+01 -6.2935E+00 O6 67 15.999400 -0.847600 -1.1090E+01 1.7960E+01 1.4453E+01 H1 68 1.008000 0.423800 -1.0811E+01 1.7585E+01 1.5338E+01 H2 69 1.008000 0.423800 -1.1943E+01 1.8470E+01 1.4562E+01 O6 70 15.999400 -0.847600 1.2987E+01 -1.8223E+00 7.3399E+00 H1 71 1.008000 0.423800 1.2297E+01 -2.3580E+00 7.8266E+00 H2 72 1.008000 0.423800 1.3502E+01 -2.4209E+00 6.7265E+00 O6 73 15.999400 -0.847600 -1.5613E+00 1.6629E+01 1.7863E+00 H1 74 1.008000 0.423800 -6.1191E-01 1.6397E+01 1.9981E+00 H2 75 1.008000 0.423800 -1.6026E+00 1.7084E+01 8.9705E-01 O6 76 15.999400 -0.847600 6.5708E+00 8.3989E+00 -2.4698E+00 H1 77 1.008000 0.423800 7.2270E+00 8.3785E+00 -1.7155E+00 H2 78 1.008000 0.423800 6.5078E+00 9.3291E+00 -2.8315E+00 O6 79 15.999400 -0.847600 5.8563E+00 1.8297E+01 1.2615E+01 H1 80 1.008000 0.423800 5.8101E+00 1.9193E+01 1.2173E+01 H2 81 1.008000 0.423800 6.8062E+00 1.8090E+01 1.2849E+01 O6 82 15.999400 -0.847600 -2.4591E-01 -1.4449E+01 2.9742E+00 H1 83 1.008000 0.423800 -9.5043E-01 -1.4637E+01 3.6587E+00 H2 84 1.008000 0.423800 -3.6445E-01 -1.3522E+01 2.6195E+00 O6 85 15.999400 -0.847600 1.0787E+01 3.3725E+00 -1.1325E+01 H1 86 1.008000 0.423800 1.0485E+01 2.7152E+00 -1.0634E+01 H2 87 1.008000 0.423800 1.0040E+01 4.0032E+00 -1.1534E+01 O6 88 15.999400 -0.847600 6.2243E+00 -1.6863E+01 -5.9433E+00 H1 89 1.008000 0.423800 6.1611E+00 -1.7493E+01 -6.7170E+00 H2 90 1.008000 0.423800 5.3086E+00 -1.6684E+01 -5.5834E+00 O6 91 15.999400 -0.847600 -3.4239E+00 -5.0939E+00 1.8085E-01 H1 92 1.008000 0.423800 -3.6595E+00 -5.9774E+00 -2.2411E-01 H2 93 1.008000 0.423800 -3.8794E+00 -4.3626E+00 -3.2672E-01 O6 94 15.999400 -0.847600 -1.3268E+01 4.4459E+00 8.1323E+00 H1 95 1.008000 0.423800 -1.3110E+01 3.5442E+00 8.5348E+00 H2 96 1.008000 0.423800 -1.3790E+01 4.3457E+00 7.2852E+00 O6 97 15.999400 -0.847600 1.2602E+01 -3.1415E-01 1.3393E+01 H1 98 1.008000 0.423800 1.1812E+01 8.6684E-02 1.2928E+01 H2 99 1.008000 0.423800 1.3384E+01 -3.2876E-01 1.2770E+01 O6 100 15.999400 -0.847600 -8.9396E-01 -1.7497E+01 5.1882E+00 H1 101 1.008000 0.423800 -9.0263E-01 -1.7862E+01 6.1189E+00 H2 102 1.008000 0.423800 -2.3885E-01 -1.8010E+01 4.6343E+00 O6 103 15.999400 -0.847600 1.7598E+01 5.3299E+00 1.0014E+00 H1 104 1.008000 0.423800 1.8191E+01 5.6310E+00 2.5464E-01 H2 105 1.008000 0.423800 1.8131E+01 4.7931E+00 1.6549E+00 O6 106 15.999400 -0.847600 5.2812E+00 1.7037E+01 1.6358E+01 H1 107 1.008000 0.423800 5.3738E+00 1.6752E+01 1.5404E+01 H2 108 1.008000 0.423800 5.7983E+00 1.6413E+01 1.6944E+01 O6 109 15.999400 -0.847600 -1.0958E+01 -1.8101E+01 1.1999E+01 H1 110 1.008000 0.423800 -1.1281E+01 -1.8944E+01 1.1570E+01 H2 111 1.008000 0.423800 -1.0191E+01 -1.8309E+01 1.2607E+01 O6 112 15.999400 -0.847600 4.1457E+00 7.2467E+00 8.7470E+00 H1 113 1.008000 0.423800 5.1283E+00 7.3662E+00 8.6047E+00 H2 114 1.008000 0.423800 3.8974E+00 6.2936E+00 8.5735E+00 O6 115 15.999400 -0.847600 -1.8819E+01 -1.0861E+01 -1.5792E+01 H1 116 1.008000 0.423800 -1.8627E+01 -9.8969E+00 -1.5607E+01 H2 117 1.008000 0.423800 1.9306E+01 -1.0974E+01 -1.5994E+01 O6 118 15.999400 -0.847600 2.5745E+00 -7.9248E+00 1.0694E+01 H1 119 1.008000 0.423800 2.4926E+00 -8.6489E+00 1.1379E+01 H2 120 1.008000 0.423800 2.8579E+00 -7.0754E+00 1.1139E+01 O6 121 15.999400 -0.847600 -3.3327E-01 7.6772E+00 -4.2312E-01 H1 122 1.008000 0.423800 -3.2371E-02 8.4529E+00 -9.7795E-01 H2 123 1.008000 0.423800 2.1377E-01 6.8719E+00 -6.5163E-01 O6 124 15.999400 -0.847600 9.3865E+00 1.2099E+01 1.4019E+01 H1 125 1.008000 0.423800 9.5566E+00 1.2790E+01 1.3317E+01 H2 126 1.008000 0.423800 1.0256E+01 1.1705E+01 1.4316E+01 O6 127 15.999400 -0.847600 1.7323E+01 1.6949E+01 1.6908E+01 H1 128 1.008000 0.423800 1.7163E+01 1.7873E+01 1.6562E+01 H2 129 1.008000 0.423800 1.7098E+01 1.6283E+01 1.6197E+01 O6 130 15.999400 -0.847600 1.1777E+01 -5.5427E+00 -7.2176E+00 H1 131 1.008000 0.423800 1.1035E+01 -6.1843E+00 -7.4113E+00 H2 132 1.008000 0.423800 1.2570E+01 -5.7704E+00 -7.7823E+00 O6 133 15.999400 -0.847600 1.9486E+01 5.7286E+00 4.9122E+00 H1 134 1.008000 0.423800 1.8518E+01 5.9024E+00 4.7308E+00 H2 135 1.008000 0.423800 -1.9304E+01 6.3096E+00 5.6658E+00 O6 136 15.999400 -0.847600 -1.8832E+01 6.2077E+00 1.6972E+01 H1 137 1.008000 0.423800 -1.8801E+01 5.6095E+00 1.6171E+01 H2 138 1.008000 0.423800 -1.9395E+01 7.0088E+00 1.6767E+01 O6 139 15.999400 -0.847600 7.6977E+00 1.9111E+01 -1.0048E+01 H1 140 1.008000 0.423800 8.5996E+00 1.9542E+01 -1.0083E+01 H2 141 1.008000 0.423800 7.7832E+00 1.8141E+01 -1.0273E+01 O6 142 15.999400 -0.847600 -1.5420E+01 -1.8068E+01 -9.1831E-01 H1 143 1.008000 0.423800 -1.4994E+01 -1.7494E+01 -1.6172E+00 H2 144 1.008000 0.423800 -1.6270E+01 -1.7642E+01 -6.0877E-01 O6 145 15.999400 -0.847600 -6.5557E+00 -1.1455E+01 7.6839E+00 H1 146 1.008000 0.423800 -6.9823E+00 -1.1747E+01 6.8281E+00 H2 147 1.008000 0.423800 -5.9834E+00 -1.0652E+01 7.5138E+00 O6 148 15.999400 -0.847600 -2.9767E+00 1.0978E+01 -7.0693E-01 H1 149 1.008000 0.423800 -3.2049E+00 1.0006E+01 -7.5595E-01 H2 150 1.008000 0.423800 -3.7136E+00 1.1515E+01 -1.1184E+00 O6 151 15.999400 -0.847600 1.5653E+01 -8.5943E+00 -3.3694E+00 H1 152 1.008000 0.423800 1.4909E+01 -9.1738E+00 -3.0362E+00 H2 153 1.008000 0.423800 1.5601E+01 -7.6989E+00 -2.9272E+00 O6 154 15.999400 -0.847600 1.6963E+01 1.0992E+01 -1.1757E+01 H1 155 1.008000 0.423800 1.7512E+01 1.1141E+01 -1.0935E+01 H2 156 1.008000 0.423800 1.6608E+01 1.0057E+01 -1.1755E+01 O6 157 15.999400 -0.847600 1.4485E+01 -3.4060E+00 -1.2229E+01 H1 158 1.008000 0.423800 1.3895E+01 -3.5914E+00 -1.3015E+01 H2 159 1.008000 0.423800 1.5352E+01 -3.0216E+00 -1.2546E+01 O6 160 15.999400 -0.847600 -1.0802E+01 5.7259E+00 -1.4962E+01 H1 161 1.008000 0.423800 -1.0891E+01 4.7539E+00 -1.5180E+01 H2 162 1.008000 0.423800 -1.1696E+01 6.1679E+00 -1.5039E+01 O6 163 15.999400 -0.847600 8.9695E+00 -1.8181E+01 -7.0045E+00 H1 164 1.008000 0.423800 9.3420E+00 -1.8229E+01 -6.0778E+00 H2 165 1.008000 0.423800 9.2915E+00 -1.7345E+01 -7.4498E+00 O6 166 15.999400 -0.847600 1.7094E+01 6.5701E+00 1.8636E+01 H1 167 1.008000 0.423800 1.7896E+01 7.0367E+00 1.8263E+01 H2 168 1.008000 0.423800 1.6270E+01 6.9093E+00 1.8182E+01 O6 169 15.999400 -0.847600 -5.7262E+00 -1.6987E+01 1.0985E+01 H1 170 1.008000 0.423800 -6.0578E+00 -1.6387E+01 1.0257E+01 H2 171 1.008000 0.423800 -4.7392E+00 -1.7115E+01 1.0888E+01 O6 172 15.999400 -0.847600 -6.1430E+00 1.1950E+01 9.0266E+00 H1 173 1.008000 0.423800 -5.2243E+00 1.1564E+01 8.9426E+00 H2 174 1.008000 0.423800 -6.0795E+00 1.2943E+01 9.1254E+00 O6 175 15.999400 -0.847600 7.2536E-01 -1.8562E+01 6.2067E-01 H1 176 1.008000 0.423800 6.6873E-01 -1.9028E+01 -2.6228E-01 H2 177 1.008000 0.423800 6.2181E-02 -1.7814E+01 6.4579E-01 O6 178 15.999400 -0.847600 9.1809E+00 1.3095E+01 5.1523E+00 H1 179 1.008000 0.423800 8.6490E+00 1.3654E+01 5.7879E+00 H2 180 1.008000 0.423800 8.9589E+00 1.2130E+01 5.2918E+00 O6 181 15.999400 -0.847600 1.6676E+01 8.1766E+00 -1.1289E+01 H1 182 1.008000 0.423800 1.6290E+01 7.3145E+00 -1.1617E+01 H2 183 1.008000 0.423800 1.7472E+01 7.9878E+00 -1.0714E+01 O6 184 15.999400 -0.847600 -8.3750E+00 -3.9633E+00 1.1571E+01 H1 185 1.008000 0.423800 -8.6279E+00 -4.8124E+00 1.2035E+01 H2 186 1.008000 0.423800 -8.6735E+00 -4.0027E+00 1.0617E+01 O6 187 15.999400 -0.847600 -3.5051E-01 -1.2318E+01 1.7385E+01 H1 188 1.008000 0.423800 2.2057E-01 -1.2701E+01 1.8111E+01 H2 189 1.008000 0.423800 -1.2265E+00 -1.2026E+01 1.7769E+01 O6 190 15.999400 -0.847600 -1.4021E+01 -1.4322E+01 1.5461E+01 H1 191 1.008000 0.423800 -1.3360E+01 -1.3617E+01 1.5206E+01 H2 192 1.008000 0.423800 -1.3536E+01 -1.5119E+01 1.5821E+01 O6 193 15.999400 -0.847600 -1.0376E+01 1.7824E+01 1.9088E+01 H1 194 1.008000 0.423800 -1.1290E+01 1.7686E+01 1.9470E+01 H2 195 1.008000 0.423800 -1.0122E+01 1.8788E+01 1.9171E+01 O6 196 15.999400 -0.847600 -3.8352E+00 1.4185E+01 -6.2257E+00 H1 197 1.008000 0.423800 -3.4932E+00 1.4845E+01 -5.5574E+00 H2 198 1.008000 0.423800 -4.8337E+00 1.4230E+01 -6.2579E+00 O6 199 15.999400 -0.847600 -8.5194E+00 -1.2210E+01 -5.1106E+00 H1 200 1.008000 0.423800 -7.5663E+00 -1.2419E+01 -5.3288E+00 H2 201 1.008000 0.423800 -8.9269E+00 -1.1690E+01 -5.8620E+00 O6 202 15.999400 -0.847600 1.6788E+01 -2.7579E+00 -6.4298E+00 H1 203 1.008000 0.423800 1.7017E+01 -2.8890E+00 -7.3943E+00 H2 204 1.008000 0.423800 1.6170E+01 -1.9773E+00 -6.3374E+00 O6 205 15.999400 -0.847600 1.2188E+01 6.1010E-01 8.1939E+00 H1 206 1.008000 0.423800 1.2447E+01 1.2770E+00 7.4950E+00 H2 207 1.008000 0.423800 1.2649E+01 -2.5863E-01 8.0124E+00 O6 208 15.999400 -0.847600 1.3582E+01 6.5046E+00 -9.0879E+00 H1 209 1.008000 0.423800 1.3921E+01 7.3925E+00 -9.3994E+00 H2 210 1.008000 0.423800 1.4352E+01 5.8785E+00 -8.9655E+00 O6 211 15.999400 -0.847600 9.9145E+00 -1.5886E+01 -8.1046E+00 H1 212 1.008000 0.423800 1.0296E+01 -1.5235E+01 -8.7607E+00 H2 213 1.008000 0.423800 9.2252E+00 -1.5429E+01 -7.5428E+00 O6 214 15.999400 -0.847600 -7.7343E+00 -7.0701E+00 -1.4401E+01 H1 215 1.008000 0.423800 -7.9150E+00 -6.5494E+00 -1.3567E+01 H2 216 1.008000 0.423800 -6.8177E+00 -7.4672E+00 -1.4354E+01 O6 217 15.999400 -0.847600 1.2873E+01 -1.0729E+01 5.4757E+00 H1 218 1.008000 0.423800 1.2046E+01 -1.1287E+01 5.5449E+00 H2 219 1.008000 0.423800 1.2978E+01 -1.0184E+01 6.3079E+00 O6 220 15.999400 -0.847600 2.9082E+00 -8.9179E+00 7.0155E+00 H1 221 1.008000 0.423800 2.8032E+00 -8.2326E+00 7.7362E+00 H2 222 1.008000 0.423800 3.8418E+00 -8.8858E+00 6.6586E+00 O6 223 15.999400 -0.847600 1.5132E+01 1.6118E+01 1.5163E+01 H1 224 1.008000 0.423800 1.4139E+01 1.6040E+01 1.5079E+01 H2 225 1.008000 0.423800 1.5401E+01 1.7076E+01 1.5067E+01 O6 226 15.999400 -0.847600 -1.0408E+01 6.3738E+00 1.4597E+01 H1 227 1.008000 0.423800 -1.1200E+01 6.5310E+00 1.5188E+01 H2 228 1.008000 0.423800 -9.6168E+00 6.1305E+00 1.5158E+01 O6 229 15.999400 -0.847600 -1.7753E+00 1.2185E+01 -1.0116E+01 H1 230 1.008000 0.423800 -2.3747E+00 1.2646E+01 -9.4614E+00 H2 231 1.008000 0.423800 -9.5884E-01 1.2742E+01 -1.0269E+01 O6 232 15.999400 -0.847600 1.3962E+01 -1.3756E+00 -7.0419E+00 H1 233 1.008000 0.423800 1.4309E+01 -4.4642E-01 -6.9159E+00 H2 234 1.008000 0.423800 1.4113E+01 -1.9041E+00 -6.2066E+00 O6 235 15.999400 -0.847600 6.8628E+00 -5.7051E+00 4.6645E+00 H1 236 1.008000 0.423800 6.0956E+00 -5.0759E+00 4.5396E+00 H2 237 1.008000 0.423800 6.5242E+00 -6.6461E+00 4.6719E+00 O6 238 15.999400 -0.847600 8.2186E+00 -6.2471E+00 7.7691E+00 H1 239 1.008000 0.423800 7.9403E+00 -5.3049E+00 7.9560E+00 H2 240 1.008000 0.423800 8.4497E+00 -6.3405E+00 6.8007E+00 O6 241 15.999400 -0.847600 1.8258E+01 3.5042E+00 -1.3205E+01 H1 242 1.008000 0.423800 1.8314E+01 3.8707E+00 -1.4134E+01 H2 243 1.008000 0.423800 1.8514E+01 2.5377E+00 -1.3212E+01 O6 244 15.999400 -0.847600 -1.9331E+01 -1.1453E+01 5.9403E+00 H1 245 1.008000 0.423800 -1.8399E+01 -1.1441E+01 5.5793E+00 H2 246 1.008000 0.423800 -1.9512E+01 -1.0597E+01 6.4252E+00 O6 247 15.999400 -0.847600 2.2313E+00 -5.7893E+00 -7.5874E-01 H1 248 1.008000 0.423800 1.7630E+00 -5.1037E+00 -1.3161E+00 H2 249 1.008000 0.423800 2.9901E+00 -5.3594E+00 -2.6950E-01 O6 250 15.999400 -0.847600 -1.4579E+00 1.1912E+01 -6.1129E+00 H1 251 1.008000 0.423800 -9.6189E-01 1.1834E+01 -6.9778E+00 H2 252 1.008000 0.423800 -2.2575E+00 1.2499E+01 -6.2388E+00 O6 253 15.999400 -0.847600 7.7351E+00 3.4517E+00 1.5899E+01 H1 254 1.008000 0.423800 7.4223E+00 2.8299E+00 1.6617E+01 H2 255 1.008000 0.423800 7.1758E+00 4.2806E+00 1.5909E+01 O6 256 15.999400 -0.847600 2.4001E-01 8.7003E+00 1.9523E+00 H1 257 1.008000 0.423800 1.1572E+00 8.3025E+00 1.9737E+00 H2 258 1.008000 0.423800 -2.0273E-01 8.4706E+00 1.0855E+00 O6 259 15.999400 -0.847600 -6.8242E+00 1.6416E+01 1.2846E+00 H1 260 1.008000 0.423800 -7.0409E+00 1.7054E+01 2.0236E+00 H2 261 1.008000 0.423800 -5.8530E+00 1.6181E+01 1.3214E+00 O6 262 15.999400 -0.847600 6.2494E-01 -1.2329E+00 1.6567E+01 H1 263 1.008000 0.423800 -1.3962E-01 -1.8025E+00 1.6869E+01 H2 264 1.008000 0.423800 5.3931E-01 -1.0518E+00 1.5588E+01 O6 265 15.999400 -0.847600 -1.7081E+01 4.4381E+00 -8.0506E+00 H1 266 1.008000 0.423800 -1.6798E+01 4.9611E+00 -7.2467E+00 H2 267 1.008000 0.423800 -1.6488E+01 4.6666E+00 -8.8226E+00 O6 268 15.999400 -0.847600 -4.6458E+00 1.0881E+01 1.3528E+01 H1 269 1.008000 0.423800 -5.5293E+00 1.0484E+01 1.3777E+01 H2 270 1.008000 0.423800 -3.9802E+00 1.0149E+01 1.3385E+01 O6 271 15.999400 -0.847600 2.5385E+00 9.5524E-01 -1.6735E+01 H1 272 1.008000 0.423800 2.8021E+00 1.0374E+00 -1.7696E+01 H2 273 1.008000 0.423800 2.4687E+00 -1.1769E-02 -1.6490E+01 O6 274 15.999400 -0.847600 -4.9223E+00 -1.0831E+01 -2.9819E-01 H1 275 1.008000 0.423800 -4.2461E+00 -1.1124E+01 3.7754E-01 H2 276 1.008000 0.423800 -4.9917E+00 -1.1518E+01 -1.0207E+00 O6 277 15.999400 -0.847600 7.4221E+00 -4.1412E+00 -1.7079E+01 H1 278 1.008000 0.423800 8.1953E+00 -3.5192E+00 -1.7203E+01 H2 279 1.008000 0.423800 7.0430E+00 -4.3840E+00 -1.7972E+01 O6 280 15.999400 -0.847600 -6.5579E+00 -1.4157E+00 1.4976E+01 H1 281 1.008000 0.423800 -7.5234E+00 -1.5139E+00 1.4735E+01 H2 282 1.008000 0.423800 -6.3042E+00 -4.4878E-01 1.4948E+01 O6 283 15.999400 -0.847600 6.2348E+00 -5.9428E+00 1.2081E+01 H1 284 1.008000 0.423800 7.0458E+00 -6.1943E+00 1.1553E+01 H2 285 1.008000 0.423800 6.4660E+00 -5.2058E+00 1.2716E+01 O6 286 15.999400 -0.847600 -6.6245E+00 -1.2001E+01 1.7829E+01 H1 287 1.008000 0.423800 -7.2507E+00 -1.2746E+01 1.8058E+01 H2 288 1.008000 0.423800 -6.6691E+00 -1.1298E+01 1.8539E+01 O6 289 15.999400 -0.847600 -1.4716E+01 -8.0879E+00 -3.3539E+00 H1 290 1.008000 0.423800 -1.5202E+01 -8.3825E+00 -4.1764E+00 H2 291 1.008000 0.423800 -1.5309E+01 -8.2007E+00 -2.5572E+00 O6 292 15.999400 -0.847600 -6.7128E+00 -6.9699E+00 -5.0382E+00 H1 293 1.008000 0.423800 -7.2955E+00 -6.3162E+00 -4.5553E+00 H2 294 1.008000 0.423800 -6.9765E+00 -7.9010E+00 -4.7859E+00 O6 295 15.999400 -0.847600 1.7951E+01 1.3593E+01 -2.2787E+00 H1 296 1.008000 0.423800 1.8646E+01 1.3238E+01 -1.6535E+00 H2 297 1.008000 0.423800 1.8397E+01 1.4036E+01 -3.0561E+00 O6 298 15.999400 -0.847600 8.2122E+00 1.1073E+01 -9.7912E+00 H1 299 1.008000 0.423800 8.5203E+00 1.0513E+01 -1.0560E+01 H2 300 1.008000 0.423800 7.8837E+00 1.1954E+01 -1.0131E+01 O6 301 15.999400 -0.847600 3.0746E+00 -5.0062E+00 -1.5767E+01 H1 302 1.008000 0.423800 2.1016E+00 -5.2243E+00 -1.5691E+01 H2 303 1.008000 0.423800 3.6104E+00 -5.7001E+00 -1.5286E+01 O6 304 15.999400 -0.847600 5.7016E+00 -9.8469E-01 -2.3316E+00 H1 305 1.008000 0.423800 5.7759E+00 -1.4089E+00 -1.4291E+00 H2 306 1.008000 0.423800 5.0837E+00 -1.5242E+00 -2.9035E+00 O6 307 15.999400 -0.847600 8.5109E+00 -1.7470E+01 -1.3414E+01 H1 308 1.008000 0.423800 7.9360E+00 -1.8265E+01 -1.3608E+01 H2 309 1.008000 0.423800 8.0371E+00 -1.6864E+01 -1.2775E+01 O6 310 15.999400 -0.847600 9.3693E+00 -6.6926E+00 -1.0224E+01 H1 311 1.008000 0.423800 9.3020E+00 -5.8142E+00 -9.7510E+00 H2 312 1.008000 0.423800 1.0207E+01 -7.1597E+00 -9.9422E+00 O6 313 15.999400 -0.847600 -9.5304E+00 -4.2085E+00 2.9011E+00 H1 314 1.008000 0.423800 -9.7397E+00 -3.8265E+00 3.8012E+00 H2 315 1.008000 0.423800 -8.5444E+00 -4.1629E+00 2.7407E+00 O6 316 15.999400 -0.847600 -1.1881E+01 1.8178E+01 -8.2889E+00 H1 317 1.008000 0.423800 -1.1851E+01 1.7199E+01 -8.0876E+00 H2 318 1.008000 0.423800 -1.1676E+01 1.8326E+01 -9.2564E+00 O6 319 15.999400 -0.847600 1.7212E+01 -7.2499E+00 1.7348E+01 H1 320 1.008000 0.423800 1.6746E+01 -7.1245E+00 1.8224E+01 H2 321 1.008000 0.423800 1.6584E+01 -7.6728E+00 1.6694E+01 O6 322 15.999400 -0.847600 1.8714E+01 -1.7500E+01 -1.6177E+01 H1 323 1.008000 0.423800 1.8449E+01 -1.7280E+01 -1.7116E+01 H2 324 1.008000 0.423800 -1.9428E+01 -1.7244E+01 -1.6032E+01 O6 325 15.999400 -0.847600 1.1921E+00 -1.3309E+01 -1.3695E+01 H1 326 1.008000 0.423800 7.0672E-01 -1.2500E+01 -1.4026E+01 H2 327 1.008000 0.423800 1.2924E+00 -1.3255E+01 -1.2701E+01 O6 328 15.999400 -0.847600 -2.0660E+00 1.8211E+01 -8.2933E-01 H1 329 1.008000 0.423800 -2.6347E+00 1.8834E+01 -1.3663E+00 H2 330 1.008000 0.423800 -1.4002E+00 1.7767E+01 -1.4290E+00 O6 331 15.999400 -0.847600 1.2869E+01 -1.2818E+00 -1.1573E+01 H1 332 1.008000 0.423800 1.3420E+01 -5.5033E-01 -1.1172E+01 H2 333 1.008000 0.423800 1.3444E+01 -2.0851E+00 -1.1729E+01 O6 334 15.999400 -0.847600 -1.6504E+01 -1.8997E+01 -1.6512E+01 H1 335 1.008000 0.423800 -1.5724E+01 -1.8695E+01 -1.5964E+01 H2 336 1.008000 0.423800 -1.7151E+01 -1.8241E+01 -1.6616E+01 O6 337 15.999400 -0.847600 -5.7859E-01 -4.4467E+00 1.6566E+01 H1 338 1.008000 0.423800 -5.7559E-01 -3.9069E+00 1.7407E+01 H2 339 1.008000 0.423800 -1.4422E+00 -4.3049E+00 1.6082E+01 O6 340 15.999400 -0.847600 3.3028E-01 2.5315E+00 1.8651E+01 H1 341 1.008000 0.423800 2.1269E-01 2.1881E+00 -1.9515E+01 H2 342 1.008000 0.423800 1.0108E+00 1.9751E+00 1.8174E+01 O6 343 15.999400 -0.847600 2.5137E+00 -1.5785E+01 -2.5439E+00 H1 344 1.008000 0.423800 3.3679E+00 -1.5335E+01 -2.8058E+00 H2 345 1.008000 0.423800 2.2416E+00 -1.5477E+01 -1.6321E+00 O6 346 15.999400 -0.847600 1.7342E+01 -9.4609E+00 -5.0880E+00 H1 347 1.008000 0.423800 1.7565E+01 -8.6938E+00 -5.6895E+00 H2 348 1.008000 0.423800 1.6681E+01 -9.1631E+00 -4.3993E+00 O6 349 15.999400 -0.847600 -8.5951E+00 1.9428E+01 1.5682E+01 H1 350 1.008000 0.423800 -9.2937E+00 1.8717E+01 1.5761E+01 H2 351 1.008000 0.423800 -8.4479E+00 -1.9246E+01 1.6575E+01 O6 352 15.999400 -0.847600 -1.5361E+01 -1.8283E+01 1.7720E+01 H1 353 1.008000 0.423800 -1.4478E+01 -1.8739E+01 1.7615E+01 H2 354 1.008000 0.423800 -1.5296E+01 -1.7594E+01 1.8442E+01 O6 355 15.999400 -0.847600 9.8373E+00 -7.6522E+00 -7.1689E+00 H1 356 1.008000 0.423800 9.9015E+00 -8.0501E+00 -8.0841E+00 H2 357 1.008000 0.423800 8.9396E+00 -7.8569E+00 -6.7787E+00 O6 358 15.999400 -0.847600 1.8264E+01 -1.3793E+01 2.7452E-01 H1 359 1.008000 0.423800 1.8323E+01 -1.3657E+01 -7.1443E-01 H2 360 1.008000 0.423800 1.7303E+01 -1.3841E+01 5.4729E-01 O6 361 15.999400 -0.847600 -1.2102E+01 -6.9120E+00 3.7636E+00 H1 362 1.008000 0.423800 -1.3006E+01 -7.3225E+00 3.6481E+00 H2 363 1.008000 0.423800 -1.2037E+01 -6.0854E+00 3.2045E+00 O6 364 15.999400 -0.847600 9.0750E+00 1.8628E-01 -6.7640E+00 H1 365 1.008000 0.423800 8.6412E+00 8.7938E-01 -7.3397E+00 H2 366 1.008000 0.423800 1.0059E+01 3.5973E-01 -6.7176E+00 O6 367 15.999400 -0.847600 3.9353E+00 -9.1857E+00 -7.6005E+00 H1 368 1.008000 0.423800 4.3627E+00 -9.4328E+00 -6.7309E+00 H2 369 1.008000 0.423800 4.1433E+00 -8.2314E+00 -7.8148E+00 O6 370 15.999400 -0.847600 -1.7013E+01 1.0640E+01 -5.2554E+00 H1 371 1.008000 0.423800 -1.7773E+01 1.1249E+01 -5.4806E+00 H2 372 1.008000 0.423800 -1.7059E+01 1.0393E+01 -4.2876E+00 O6 373 15.999400 -0.847600 4.7261E+00 -1.2416E+01 -5.9589E+00 H1 374 1.008000 0.423800 3.7312E+00 -1.2349E+01 -5.8837E+00 H2 375 1.008000 0.423800 4.9634E+00 -1.2987E+01 -6.7444E+00 O6 376 15.999400 -0.847600 -1.8058E+01 -1.8859E+01 1.7613E+01 H1 377 1.008000 0.423800 -1.8173E+01 -1.9360E+01 1.6755E+01 H2 378 1.008000 0.423800 -1.7083E+01 -1.8765E+01 1.7816E+01 O6 379 15.999400 -0.847600 -1.2180E+01 -6.1896E+00 1.8020E+01 H1 380 1.008000 0.423800 -1.1921E+01 -5.2417E+00 1.8205E+01 H2 381 1.008000 0.423800 -1.3177E+01 -6.2625E+00 1.7989E+01 O6 382 15.999400 -0.847600 8.4361E+00 1.5663E+01 -1.6813E+01 H1 383 1.008000 0.423800 7.8352E+00 1.5324E+01 -1.6089E+01 H2 384 1.008000 0.423800 9.3430E+00 1.5848E+01 -1.6434E+01 O6 385 15.999400 -0.847600 4.1139E+00 -1.7093E+01 -1.3561E+01 H1 386 1.008000 0.423800 3.1212E+00 -1.7196E+01 -1.3498E+01 H2 387 1.008000 0.423800 4.3768E+00 -1.6976E+01 -1.4519E+01 O6 388 15.999400 -0.847600 -1.8303E+01 -1.8267E+01 2.7955E+00 H1 389 1.008000 0.423800 -1.9103E+01 -1.7675E+01 2.8840E+00 H2 390 1.008000 0.423800 -1.7686E+01 -1.8112E+01 3.5678E+00 O6 391 15.999400 -0.847600 -1.0032E+01 -8.1784E-01 -1.4904E+01 H1 392 1.008000 0.423800 -9.7543E+00 -5.4786E-01 -1.5826E+01 H2 393 1.008000 0.423800 -9.4989E+00 -1.6123E+00 -1.4614E+01 O6 394 15.999400 -0.847600 -5.6943E+00 -6.0858E+00 -1.2240E+01 H1 395 1.008000 0.423800 -6.6571E+00 -5.8270E+00 -1.2319E+01 H2 396 1.008000 0.423800 -5.4034E+00 -6.5454E+00 -1.3080E+01 O6 397 15.999400 -0.847600 1.1460E+01 -1.0804E+01 1.8189E+01 H1 398 1.008000 0.423800 1.0989E+01 -1.0572E+01 1.9040E+01 H2 399 1.008000 0.423800 1.2196E+01 -1.1453E+01 1.8381E+01 O6 400 15.999400 -0.847600 1.0741E+01 -8.6552E+00 -4.6438E+00 H1 401 1.008000 0.423800 1.0028E+01 -8.4707E+00 -3.9675E+00 H2 402 1.008000 0.423800 1.0578E+01 -8.1007E+00 -5.4598E+00 O6 403 15.999400 -0.847600 2.8916E+00 7.8739E+00 1.4894E+00 H1 404 1.008000 0.423800 3.0089E+00 7.7944E+00 4.9943E-01 H2 405 1.008000 0.423800 3.7808E+00 7.7862E+00 1.9384E+00 O6 406 15.999400 -0.847600 -9.4951E+00 1.9488E+01 2.7458E+00 H1 407 1.008000 0.423800 -9.1872E+00 -1.8698E+01 3.0187E+00 H2 408 1.008000 0.423800 -1.0487E+01 1.9494E+01 2.6223E+00 O6 409 15.999400 -0.847600 -1.8003E+01 1.7967E+01 5.7479E+00 H1 410 1.008000 0.423800 -1.7919E+01 1.7461E+01 4.8893E+00 H2 411 1.008000 0.423800 -1.8526E+01 1.7424E+01 6.4049E+00 O6 412 15.999400 -0.847600 1.7634E+01 -1.1795E+01 -1.6583E+01 H1 413 1.008000 0.423800 1.7978E+01 -1.2546E+01 -1.7147E+01 H2 414 1.008000 0.423800 1.7426E+01 -1.2135E+01 -1.5666E+01 O6 415 15.999400 -0.847600 -8.0809E+00 -2.2420E+00 -4.8991E+00 H1 416 1.008000 0.423800 -7.2788E+00 -1.6703E+00 -4.7261E+00 H2 417 1.008000 0.423800 -8.1761E+00 -2.3937E+00 -5.8829E+00 O6 418 15.999400 -0.847600 -1.2959E+01 -9.7547E+00 1.4002E+01 H1 419 1.008000 0.423800 -1.2116E+01 -9.3976E+00 1.4404E+01 H2 420 1.008000 0.423800 -1.2818E+01 -9.9189E+00 1.3025E+01 O6 421 15.999400 -0.847600 9.0449E+00 -1.7550E+01 -1.0131E+01 H1 422 1.008000 0.423800 9.1641E+00 -1.6903E+01 -9.3778E+00 H2 423 1.008000 0.423800 8.3425E+00 -1.7208E+01 -1.0756E+01 O6 424 15.999400 -0.847600 8.7038E+00 1.4163E+01 -7.0139E+00 H1 425 1.008000 0.423800 9.2114E+00 1.3759E+01 -7.7748E+00 H2 426 1.008000 0.423800 9.3454E+00 1.4472E+01 -6.3117E+00 O6 427 15.999400 -0.847600 1.9456E+01 1.9311E+01 -6.3587E+00 H1 428 1.008000 0.423800 -1.9228E+01 -1.9392E+01 -7.1788E+00 H2 429 1.008000 0.423800 1.9475E+01 -1.9115E+01 -5.6186E+00 O6 430 15.999400 -0.847600 -9.3985E-01 -5.4902E+00 -2.0755E+00 H1 431 1.008000 0.423800 -1.2677E+00 -4.6196E+00 -1.7087E+00 H2 432 1.008000 0.423800 -8.2760E-01 -6.1454E+00 -1.3285E+00 O6 433 15.999400 -0.847600 1.8698E+01 3.0491E+00 -1.7385E+00 H1 434 1.008000 0.423800 1.7778E+01 3.1236E+00 -1.3536E+00 H2 435 1.008000 0.423800 1.8846E+01 3.7893E+00 -2.3944E+00 O6 436 15.999400 -0.847600 -2.2264E+00 -1.5102E+01 5.0082E+00 H1 437 1.008000 0.423800 -1.6744E+00 -1.5893E+01 4.7453E+00 H2 438 1.008000 0.423800 -2.6229E+00 -1.5258E+01 5.9129E+00 O6 439 15.999400 -0.847600 5.8042E+00 -7.7510E+00 7.7464E+00 H1 440 1.008000 0.423800 5.1174E+00 -7.0242E+00 7.7584E+00 H2 441 1.008000 0.423800 6.7180E+00 -7.3455E+00 7.7221E+00 O6 442 15.999400 -0.847600 9.2181E+00 1.8951E+01 1.3063E+01 H1 443 1.008000 0.423800 9.4139E+00 1.9292E+01 1.2144E+01 H2 444 1.008000 0.423800 8.9971E+00 1.7977E+01 1.3017E+01 O6 445 15.999400 -0.847600 -1.2916E+01 -1.0207E+01 -4.9560E-01 H1 446 1.008000 0.423800 -1.3587E+01 -1.0872E+01 -8.2406E-01 H2 447 1.008000 0.423800 -1.2106E+01 -1.0233E+01 -1.0825E+00 O6 448 15.999400 -0.847600 1.2304E+01 -1.9464E+01 9.6587E+00 H1 449 1.008000 0.423800 1.2773E+01 1.8756E+01 9.5563E+00 H2 450 1.008000 0.423800 1.1463E+01 -1.9470E+01 9.1178E+00 O6 451 15.999400 -0.847600 9.6127E-01 -1.5827E+01 1.2137E+01 H1 452 1.008000 0.423800 1.5334E+00 -1.5043E+01 1.1895E+01 H2 453 1.008000 0.423800 1.5258E+00 -1.6651E+01 1.2179E+01 O6 454 15.999400 -0.847600 7.9433E-01 5.7533E+00 -1.9515E+01 H1 455 1.008000 0.423800 1.5906E+00 5.4567E+00 1.9055E+01 H2 456 1.008000 0.423800 9.6444E-01 6.6639E+00 -1.9138E+01 O6 457 15.999400 -0.847600 4.1520E+00 -1.1724E+01 -1.8763E+01 H1 458 1.008000 0.423800 4.4503E+00 -1.1476E+01 1.9413E+01 H2 459 1.008000 0.423800 3.4781E+00 -1.1059E+01 -1.8441E+01 O6 460 15.999400 -0.847600 8.2451E+00 -2.9065E+00 -8.1973E-01 H1 461 1.008000 0.423800 7.4291E+00 -3.3511E+00 -1.1893E+00 H2 462 1.008000 0.423800 9.0006E+00 -3.5613E+00 -7.9847E-01 O6 463 15.999400 -0.847600 1.3507E+00 1.8824E+01 -9.1259E+00 H1 464 1.008000 0.423800 1.4907E+00 1.8338E+01 -9.9888E+00 H2 465 1.008000 0.423800 7.3502E-01 1.8295E+01 -8.5419E+00 O6 466 15.999400 -0.847600 1.7350E+01 -9.2285E+00 6.7435E+00 H1 467 1.008000 0.423800 1.8187E+01 -8.7025E+00 6.5929E+00 H2 468 1.008000 0.423800 1.6637E+01 -8.9046E+00 6.1220E+00 O6 469 15.999400 -0.847600 -1.7468E+01 1.5779E+01 -1.1484E+00 H1 470 1.008000 0.423800 -1.7171E+01 1.6451E+01 -4.7063E-01 H2 471 1.008000 0.423800 -1.7639E+01 1.6238E+01 -2.0203E+00 O6 472 15.999400 -0.847600 -1.6006E+01 -9.6730E+00 2.3085E+00 H1 473 1.008000 0.423800 -1.5424E+01 -1.0329E+01 2.7896E+00 H2 474 1.008000 0.423800 -1.6752E+01 -1.0160E+01 1.8541E+00 O6 475 15.999400 -0.847600 6.0004E+00 1.4461E+01 -6.7220E+00 H1 476 1.008000 0.423800 6.9839E+00 1.4334E+01 -6.8513E+00 H2 477 1.008000 0.423800 5.6881E+00 1.5232E+01 -7.2768E+00 O6 478 15.999400 -0.847600 1.8050E+01 -2.3444E+00 6.5978E+00 H1 479 1.008000 0.423800 1.8882E+01 -2.0494E+00 6.1280E+00 H2 480 1.008000 0.423800 1.8269E+01 -2.5895E+00 7.5421E+00 O6 481 15.999400 -0.847600 -1.3312E+01 1.8807E+01 -1.5167E+00 H1 482 1.008000 0.423800 -1.2346E+01 1.8981E+01 -1.3234E+00 H2 483 1.008000 0.423800 -1.3869E+01 1.9533E+01 -1.1130E+00 O6 484 15.999400 -0.847600 1.3854E+01 1.3495E+00 -1.0639E+01 H1 485 1.008000 0.423800 1.3506E+01 2.2176E+00 -1.0284E+01 H2 486 1.008000 0.423800 1.4307E+01 1.5054E+00 -1.1517E+01 O6 487 15.999400 -0.847600 -4.3422E+00 -3.5492E+00 -2.1733E+00 H1 488 1.008000 0.423800 -4.8432E+00 -4.1854E+00 -2.7601E+00 H2 489 1.008000 0.423800 -4.2776E+00 -2.6594E+00 -2.6251E+00 O6 490 15.999400 -0.847600 -1.0592E+01 -1.8752E+01 -3.6717E+00 H1 491 1.008000 0.423800 -1.0609E+01 -1.7949E+01 -4.2674E+00 H2 492 1.008000 0.423800 -1.1012E+01 -1.9526E+01 -4.1442E+00 O6 493 15.999400 -0.847600 -1.5995E+01 -3.6963E+00 -1.5415E+01 H1 494 1.008000 0.423800 -1.5010E+01 -3.5490E+00 -1.5330E+01 H2 495 1.008000 0.423800 -1.6483E+01 -2.9925E+00 -1.4899E+01 O6 496 15.999400 -0.847600 -1.3913E+01 -1.9341E+00 2.8561E+00 H1 497 1.008000 0.423800 -1.4475E+01 -1.5260E+00 2.1363E+00 H2 498 1.008000 0.423800 -1.4473E+01 -2.0834E+00 3.6712E+00 O6 499 15.999400 -0.847600 -1.1656E+01 1.5615E+01 -7.7661E+00 H1 500 1.008000 0.423800 -1.1995E+01 1.4894E+01 -7.1626E+00 H2 501 1.008000 0.423800 -1.0855E+01 1.6048E+01 -7.3516E+00 O6 502 15.999400 -0.847600 -1.7547E+01 8.1016E+00 4.2047E+00 H1 503 1.008000 0.423800 -1.7160E+01 9.0228E+00 4.1629E+00 H2 504 1.008000 0.423800 -1.7910E+01 7.9338E+00 5.1212E+00 O6 505 15.999400 -0.847600 -6.2542E+00 -1.7969E+00 7.6646E+00 H1 506 1.008000 0.423800 -6.4787E+00 -1.1729E+00 8.4131E+00 H2 507 1.008000 0.423800 -5.4050E+00 -2.2802E+00 7.8769E+00 O6 508 15.999400 -0.847600 1.6683E+01 2.1642E+00 1.0733E+01 H1 509 1.008000 0.423800 1.6761E+01 1.4982E+00 1.1475E+01 H2 510 1.008000 0.423800 1.6557E+01 1.6834E+00 9.8653E+00 O6 511 15.999400 -0.847600 2.8422E+00 -1.7964E+01 1.2630E+01 H1 512 1.008000 0.423800 2.7035E+00 -1.7474E+01 1.3491E+01 H2 513 1.008000 0.423800 3.8185E+00 -1.8135E+01 1.2498E+01 O6 514 15.999400 -0.847600 1.1623E+01 1.3524E+01 4.2691E+00 H1 515 1.008000 0.423800 1.2238E+01 1.2852E+01 4.6801E+00 H2 516 1.008000 0.423800 1.0684E+01 1.3338E+01 4.5590E+00 O6 517 15.999400 -0.847600 1.0075E+01 1.6544E+01 4.2019E+00 H1 518 1.008000 0.423800 1.0620E+01 1.5844E+01 3.7393E+00 H2 519 1.008000 0.423800 1.0161E+01 1.7411E+01 3.7116E+00 O6 520 15.999400 -0.847600 1.1280E+01 1.6119E+01 -6.6501E+00 H1 521 1.008000 0.423800 1.1277E+01 1.7092E+01 -6.8783E+00 H2 522 1.008000 0.423800 1.1928E+01 1.5639E+01 -7.2415E+00 O6 523 15.999400 -0.847600 -1.5122E+01 1.5380E+01 1.5173E+01 H1 524 1.008000 0.423800 -1.5798E+01 1.4644E+01 1.5194E+01 H2 525 1.008000 0.423800 -1.4397E+01 1.5150E+01 1.4524E+01 O6 526 15.999400 -0.847600 7.0039E+00 -3.9580E+00 1.3619E+01 H1 527 1.008000 0.423800 7.9653E+00 -3.9198E+00 1.3892E+01 H2 528 1.008000 0.423800 6.7482E+00 -3.0979E+00 1.3178E+01 O6 529 15.999400 -0.847600 -5.2635E+00 -1.6510E+01 6.1754E+00 H1 530 1.008000 0.423800 -4.3890E+00 -1.6388E+01 6.6447E+00 H2 531 1.008000 0.423800 -5.6507E+00 -1.7399E+01 6.4192E+00 O6 532 15.999400 -0.847600 7.8605E+00 6.6753E+00 -7.8856E+00 H1 533 1.008000 0.423800 7.5340E+00 7.1261E+00 -7.0549E+00 H2 534 1.008000 0.423800 8.8473E+00 6.5280E+00 -7.8190E+00 O6 535 15.999400 -0.847600 -9.3200E+00 1.0556E+01 -1.4363E+01 H1 536 1.008000 0.423800 -9.7988E+00 1.1260E+01 -1.3839E+01 H2 537 1.008000 0.423800 -8.7205E+00 1.0037E+01 -1.3754E+01 O6 538 15.999400 -0.847600 -1.2176E+00 -6.3306E+00 1.0313E+01 H1 539 1.008000 0.423800 -5.6046E-01 -6.4495E+00 1.1057E+01 H2 540 1.008000 0.423800 -2.1277E+00 -6.6030E+00 1.0625E+01 O6 541 15.999400 -0.847600 1.1069E+01 8.2542E+00 5.0558E+00 H1 542 1.008000 0.423800 1.0200E+01 8.7419E+00 5.1476E+00 H2 543 1.008000 0.423800 1.1450E+01 8.4214E+00 4.1468E+00 O6 544 15.999400 -0.847600 1.8598E+01 -1.0813E+01 2.6643E+00 H1 545 1.008000 0.423800 1.8843E+01 -9.9628E+00 3.1310E+00 H2 546 1.008000 0.423800 1.8610E+01 -1.0665E+01 1.6753E+00 O6 547 15.999400 -0.847600 1.7446E+01 1.2967E+01 -9.5262E+00 H1 548 1.008000 0.423800 1.7909E+01 1.2122E+01 -9.2589E+00 H2 549 1.008000 0.423800 1.7767E+01 1.3719E+01 -8.9516E+00 O6 550 15.999400 -0.847600 -2.8879E+00 -1.2217E+01 1.0337E+00 H1 551 1.008000 0.423800 -3.3156E+00 -1.2395E+01 1.9200E+00 H2 552 1.008000 0.423800 -2.0793E+00 -1.1643E+01 1.1631E+00 O6 553 15.999400 -0.847600 1.1143E+01 -1.1866E+01 2.7445E+00 H1 554 1.008000 0.423800 1.1244E+01 -1.1878E+01 3.7392E+00 H2 555 1.008000 0.423800 1.1759E+01 -1.1182E+01 2.3550E+00 O6 556 15.999400 -0.847600 8.4949E+00 6.0813E+00 4.9642E+00 H1 557 1.008000 0.423800 9.3534E+00 5.8090E+00 5.3988E+00 H2 558 1.008000 0.423800 8.6919E+00 6.5674E+00 4.1128E+00 O6 559 15.999400 -0.847600 1.8409E+00 -1.4323E+01 -3.9870E-01 H1 560 1.008000 0.423800 1.5716E+00 -1.3450E+01 -8.0553E-01 H2 561 1.008000 0.423800 2.3612E+00 -1.4154E+01 4.3838E-01 O6 562 15.999400 -0.847600 -1.2009E+01 7.0627E+00 1.0693E+01 H1 563 1.008000 0.423800 -1.1964E+01 7.3044E+00 9.7239E+00 H2 564 1.008000 0.423800 -1.1084E+01 7.0353E+00 1.1073E+01 O6 565 15.999400 -0.847600 -1.5344E+01 1.0134E+01 -1.4569E+01 H1 566 1.008000 0.423800 -1.5651E+01 1.0645E+01 -1.3766E+01 H2 567 1.008000 0.423800 -1.5678E+01 1.0583E+01 -1.5398E+01 O6 568 15.999400 -0.847600 2.1234E+00 -1.0262E+01 -1.1845E+01 H1 569 1.008000 0.423800 2.6188E+00 -1.0278E+01 -1.0977E+01 H2 570 1.008000 0.423800 2.5079E+00 -1.0949E+01 -1.2461E+01 O6 571 15.999400 -0.847600 -1.6210E+01 1.8327E+01 3.8430E-02 H1 572 1.008000 0.423800 -1.6082E+01 1.8444E+01 1.0231E+00 H2 573 1.008000 0.423800 -1.5806E+01 1.9102E+01 -4.4588E-01 O6 574 15.999400 -0.847600 5.5696E+00 1.1125E+01 2.8077E+00 H1 575 1.008000 0.423800 5.0889E+00 1.0255E+01 2.6926E+00 H2 576 1.008000 0.423800 5.8161E+00 1.1490E+01 1.9103E+00 O6 577 15.999400 -0.847600 9.4615E+00 7.2005E+00 9.5563E+00 H1 578 1.008000 0.423800 9.9184E+00 8.0879E+00 9.6179E+00 H2 579 1.008000 0.423800 1.0131E+01 6.4967E+00 9.3191E+00 O6 580 15.999400 -0.847600 -1.2006E+01 -8.2215E+00 6.3089E+00 H1 581 1.008000 0.423800 -1.1366E+01 -7.6270E+00 6.7958E+00 H2 582 1.008000 0.423800 -1.2264E+01 -7.7949E+00 5.4418E+00 O6 583 15.999400 -0.847600 1.6664E+01 -1.3288E+01 1.1621E+01 H1 584 1.008000 0.423800 1.5697E+01 -1.3359E+01 1.1867E+01 H2 585 1.008000 0.423800 1.7029E+01 -1.2419E+01 1.1955E+01 O6 586 15.999400 -0.847600 -6.8168E+00 1.9496E+01 -1.3392E+00 H1 587 1.008000 0.423800 -6.4246E+00 -1.9341E+01 -4.5693E-01 H2 588 1.008000 0.423800 -7.5890E+00 1.8878E+01 -1.1914E+00 O6 589 15.999400 -0.847600 1.5749E+01 4.9743E+00 -9.0747E+00 H1 590 1.008000 0.423800 1.5732E+01 3.9912E+00 -8.8923E+00 H2 591 1.008000 0.423800 1.6642E+01 5.3449E+00 -8.8197E+00 O6 592 15.999400 -0.847600 -6.9758E+00 1.1477E+01 1.7848E+01 H1 593 1.008000 0.423800 -7.3213E+00 1.0996E+01 1.7043E+01 H2 594 1.008000 0.423800 -6.7830E+00 1.0817E+01 1.8574E+01 O6 595 15.999400 -0.847600 8.8259E+00 3.5805E+00 -1.4711E+01 H1 596 1.008000 0.423800 8.6459E+00 3.1030E+00 -1.5571E+01 H2 597 1.008000 0.423800 7.9701E+00 3.6909E+00 -1.4206E+01 O6 598 15.999400 -0.847600 5.0346E+00 1.6706E+01 -8.4053E+00 H1 599 1.008000 0.423800 4.7476E+00 1.6366E+01 -9.3009E+00 H2 600 1.008000 0.423800 4.5647E+00 1.7566E+01 -8.2096E+00 O6 601 15.999400 -0.847600 -1.0607E+01 1.5460E+01 -1.0294E+00 H1 602 1.008000 0.423800 -1.1131E+01 1.5798E+01 -2.4744E-01 H2 603 1.008000 0.423800 -1.1154E+01 1.5551E+01 -1.8614E+00 O6 604 15.999400 -0.847600 1.6900E+01 5.5135E+00 -1.2059E+01 H1 605 1.008000 0.423800 1.6425E+01 5.1234E+00 -1.1270E+01 H2 606 1.008000 0.423800 1.7323E+01 4.7792E+00 -1.2590E+01 O6 607 15.999400 -0.847600 8.4833E+00 1.6602E+01 1.2998E+01 H1 608 1.008000 0.423800 7.8110E+00 1.5974E+01 1.2608E+01 H2 609 1.008000 0.423800 8.9414E+00 1.6163E+01 1.3771E+01 O6 610 15.999400 -0.847600 1.9048E+01 -7.6142E+00 -9.8961E+00 H1 611 1.008000 0.423800 -1.9517E+01 -7.0225E+00 -9.2907E+00 H2 612 1.008000 0.423800 1.9201E+01 -8.5704E+00 -9.6460E+00 O6 613 15.999400 -0.847600 3.9698E+00 1.5662E+01 -5.0511E+00 H1 614 1.008000 0.423800 4.7464E+00 1.5186E+01 -5.4644E+00 H2 615 1.008000 0.423800 3.1636E+00 1.5071E+01 -5.0796E+00 O6 616 15.999400 -0.847600 -2.6464E+00 -6.8405E+00 -1.3524E+01 H1 617 1.008000 0.423800 -2.8185E+00 -7.0958E+00 -1.2572E+01 H2 618 1.008000 0.423800 -2.1651E+00 -5.9644E+00 -1.3552E+01 O6 619 15.999400 -0.847600 -1.1734E+01 -7.8813E+00 -2.7017E+00 H1 620 1.008000 0.423800 -1.1294E+01 -8.7586E+00 -2.5109E+00 H2 621 1.008000 0.423800 -1.2712E+01 -8.0258E+00 -2.8553E+00 O6 622 15.999400 -0.847600 1.3754E+01 3.8015E+00 1.9162E+01 H1 623 1.008000 0.423800 1.3662E+01 2.9602E+00 1.8630E+01 H2 624 1.008000 0.423800 1.3801E+01 3.5763E+00 -1.8962E+01 O6 625 15.999400 -0.847600 9.2216E+00 1.3333E+01 -1.8975E+00 H1 626 1.008000 0.423800 9.5081E+00 1.3944E+01 -2.6358E+00 H2 627 1.008000 0.423800 9.1672E+00 1.2396E+01 -2.2424E+00 O6 628 15.999400 -0.847600 1.7654E+01 -1.6429E+01 -1.3707E+01 H1 629 1.008000 0.423800 1.7868E+01 -1.6847E+01 -1.4590E+01 H2 630 1.008000 0.423800 1.6666E+01 -1.6293E+01 -1.3633E+01 O6 631 15.999400 -0.847600 6.4197E+00 -1.6270E+00 1.7023E+01 H1 632 1.008000 0.423800 6.9955E+00 -1.4541E+00 1.6224E+01 H2 633 1.008000 0.423800 5.5094E+00 -1.9117E+00 1.6723E+01 O6 634 15.999400 -0.847600 -1.6983E+01 5.9465E-01 -1.1533E+01 H1 635 1.008000 0.423800 -1.6674E+01 3.3029E-01 -1.2446E+01 H2 636 1.008000 0.423800 -1.6788E+01 -1.4402E-01 -1.0888E+01 O6 637 15.999400 -0.847600 1.6117E+01 1.6853E+01 -1.0042E+01 H1 638 1.008000 0.423800 1.5766E+01 1.7761E+01 -1.0273E+01 H2 639 1.008000 0.423800 1.6799E+01 1.6577E+01 -1.0720E+01 O6 640 15.999400 -0.847600 -1.3358E+01 4.6682E+00 1.3970E+01 H1 641 1.008000 0.423800 -1.3036E+01 4.0335E+00 1.4672E+01 H2 642 1.008000 0.423800 -1.2788E+01 4.5788E+00 1.3153E+01 O6 643 15.999400 -0.847600 -9.3814E+00 9.8887E+00 5.3839E+00 H1 644 1.008000 0.423800 -9.0853E+00 1.0366E+01 6.2114E+00 H2 645 1.008000 0.423800 -8.9295E+00 1.0291E+01 4.5877E+00 O6 646 15.999400 -0.847600 1.4183E+01 1.8968E+01 -1.5662E+01 H1 647 1.008000 0.423800 1.4262E+01 1.8302E+01 -1.4921E+01 H2 648 1.008000 0.423800 1.4950E+01 -1.9490E+01 -1.5619E+01 O6 649 15.999400 -0.847600 1.0367E+00 -7.7642E-01 -3.4751E+00 H1 650 1.008000 0.423800 3.7988E-01 -1.3361E+00 -2.9698E+00 H2 651 1.008000 0.423800 8.8757E-01 -8.9239E-01 -4.4570E+00 O6 652 15.999400 -0.847600 1.2869E+01 1.1379E+01 5.3888E+00 H1 653 1.008000 0.423800 1.2684E+01 1.0487E+01 4.9773E+00 H2 654 1.008000 0.423800 1.3852E+01 1.1563E+01 5.3558E+00 O6 655 15.999400 -0.847600 1.6409E+01 1.6823E+01 8.1443E+00 H1 656 1.008000 0.423800 1.5803E+01 1.6311E+01 7.5351E+00 H2 657 1.008000 0.423800 1.5943E+01 1.7651E+01 8.4574E+00 O6 658 15.999400 -0.847600 1.0031E+01 4.6402E+00 1.6946E+01 H1 659 1.008000 0.423800 1.0430E+01 3.9475E+00 1.7546E+01 H2 660 1.008000 0.423800 9.1479E+00 4.3169E+00 1.6605E+01 O6 661 15.999400 -0.847600 2.9308E+00 1.5817E+01 -9.8278E+00 H1 662 1.008000 0.423800 2.1804E+00 1.5565E+01 -9.2167E+00 H2 663 1.008000 0.423800 2.6262E+00 1.6539E+01 -1.0450E+01 O6 664 15.999400 -0.847600 1.2204E+01 -1.9150E+01 -3.0618E+00 H1 665 1.008000 0.423800 1.2223E+01 -1.9004E+01 -4.0510E+00 H2 666 1.008000 0.423800 1.1291E+01 -1.8940E+01 -2.7117E+00 O6 667 15.999400 -0.847600 1.0842E+01 -1.5658E+01 1.5599E+01 H1 668 1.008000 0.423800 1.1548E+01 -1.6258E+01 1.5975E+01 H2 669 1.008000 0.423800 1.1120E+01 -1.4704E+01 1.5714E+01 O6 670 15.999400 -0.847600 -1.6935E+01 -1.2797E+01 -1.5510E+01 H1 671 1.008000 0.423800 -1.7734E+01 -1.2195E+01 -1.5518E+01 H2 672 1.008000 0.423800 -1.6956E+01 -1.3388E+01 -1.6316E+01 O6 673 15.999400 -0.847600 -3.2393E+00 1.7237E+01 1.5186E+01 H1 674 1.008000 0.423800 -3.8608E+00 1.7994E+01 1.5390E+01 H2 675 1.008000 0.423800 -3.7065E+00 1.6569E+01 1.4608E+01 O6 676 15.999400 -0.847600 1.6751E+01 5.5882E+00 -5.0707E+00 H1 677 1.008000 0.423800 1.7086E+01 5.1680E+00 -4.2274E+00 H2 678 1.008000 0.423800 1.6801E+01 6.5836E+00 -4.9899E+00 O6 679 15.999400 -0.847600 1.4059E+01 5.4384E-01 3.8171E+00 H1 680 1.008000 0.423800 1.4179E+01 -3.4887E-01 4.2516E+00 H2 681 1.008000 0.423800 1.3434E+01 4.5593E-01 3.0415E+00 O6 682 15.999400 -0.847600 -2.8090E+00 -1.1573E+01 1.8067E+01 H1 683 1.008000 0.423800 -3.3500E+00 -1.1804E+01 1.7258E+01 H2 684 1.008000 0.423800 -3.1761E+00 -1.0743E+01 1.8487E+01 O6 685 15.999400 -0.847600 -7.2169E+00 6.8218E+00 5.1685E+00 H1 686 1.008000 0.423800 -6.5919E+00 7.1546E+00 4.4624E+00 H2 687 1.008000 0.423800 -6.7037E+00 6.2958E+00 5.8467E+00 O6 688 15.999400 -0.847600 -1.0264E+01 -1.8115E+01 1.8341E+01 H1 689 1.008000 0.423800 -9.9956E+00 -1.7563E+01 1.7551E+01 H2 690 1.008000 0.423800 -1.0303E+01 -1.7536E+01 1.9155E+01 O6 691 15.999400 -0.847600 -7.0008E+00 3.2938E+00 -1.6322E+01 H1 692 1.008000 0.423800 -6.1711E+00 3.5431E+00 -1.6822E+01 H2 693 1.008000 0.423800 -7.3139E+00 4.0766E+00 -1.5784E+01 O6 694 15.999400 -0.847600 1.6304E+00 1.9609E+00 4.3807E+00 H1 695 1.008000 0.423800 1.2260E+00 2.0758E+00 3.4733E+00 H2 696 1.008000 0.423800 2.1654E+00 2.7733E+00 4.6124E+00 O6 697 15.999400 -0.847600 6.3755E+00 8.6371E+00 1.5708E+01 H1 698 1.008000 0.423800 6.6079E+00 9.1259E+00 1.6549E+01 H2 699 1.008000 0.423800 6.6274E+00 9.1954E+00 1.4917E+01 O6 700 15.999400 -0.847600 1.1997E+01 -1.1178E+01 1.3450E+01 H1 701 1.008000 0.423800 1.1861E+01 -1.1206E+01 1.2459E+01 H2 702 1.008000 0.423800 1.2188E+01 -1.0238E+01 1.3733E+01 O6 703 15.999400 -0.847600 1.4570E+01 1.9199E+01 -1.0544E+01 H1 704 1.008000 0.423800 1.5228E+01 -1.9396E+01 -9.9834E+00 H2 705 1.008000 0.423800 1.4663E+01 1.9479E+01 -1.1499E+01 O6 706 15.999400 -0.847600 -1.0563E+01 7.7804E+00 6.5808E+00 H1 707 1.008000 0.423800 -9.6845E+00 7.7771E+00 7.0581E+00 H2 708 1.008000 0.423800 -1.1281E+01 7.4668E+00 7.2023E+00 O6 709 15.999400 -0.847600 -1.7710E+01 1.9478E+01 1.0598E+01 H1 710 1.008000 0.423800 -1.7851E+01 -1.9364E+01 1.1554E+01 H2 711 1.008000 0.423800 -1.8573E+01 1.9154E+01 1.0209E+01 O6 712 15.999400 -0.847600 -1.4091E+01 -7.2041E+00 -1.2465E+01 H1 713 1.008000 0.423800 -1.4763E+01 -7.2531E+00 -1.1726E+01 H2 714 1.008000 0.423800 -1.4149E+01 -8.0313E+00 -1.3023E+01 O6 715 15.999400 -0.847600 1.8613E+01 1.8773E+01 9.7046E+00 H1 716 1.008000 0.423800 1.8177E+01 1.7887E+01 9.8619E+00 H2 717 1.008000 0.423800 1.8515E+01 1.9027E+01 8.7423E+00 O6 718 15.999400 -0.847600 -5.8744E+00 1.0035E+01 1.2821E+00 H1 719 1.008000 0.423800 -6.2125E+00 1.0950E+01 1.5028E+00 H2 720 1.008000 0.423800 -4.9118E+00 9.9632E+00 1.5435E+00 O6 721 15.999400 -0.847600 -6.0237E+00 -1.7675E+01 -3.1577E+00 H1 722 1.008000 0.423800 -6.1870E+00 -1.8528E+01 -2.6622E+00 H2 723 1.008000 0.423800 -6.7253E+00 -1.7006E+01 -2.9107E+00 O6 724 15.999400 -0.847600 -1.4743E+01 -1.9548E+01 -6.1340E+00 H1 725 1.008000 0.423800 -1.5068E+01 -1.9256E+01 -7.0335E+00 H2 726 1.008000 0.423800 -1.4525E+01 -1.8744E+01 -5.5813E+00 O6 727 15.999400 -0.847600 -5.8284E+00 1.0808E+01 -1.7407E+01 H1 728 1.008000 0.423800 -6.7179E+00 1.1256E+01 -1.7318E+01 H2 729 1.008000 0.423800 -5.1792E+00 1.1227E+01 -1.6772E+01 O6 730 15.999400 -0.847600 -1.0008E+01 1.7999E+01 1.1874E+01 H1 731 1.008000 0.423800 -1.0839E+01 1.8270E+01 1.1388E+01 H2 732 1.008000 0.423800 -1.0246E+01 1.7688E+01 1.2793E+01 O6 733 15.999400 -0.847600 -1.9462E+01 1.8768E+01 -1.9516E+01 H1 734 1.008000 0.423800 -1.8751E+01 1.8140E+01 -1.9200E+01 H2 735 1.008000 0.423800 -1.9173E+01 1.9196E+01 1.8726E+01 O6 736 15.999400 -0.847600 1.3250E+01 -1.6933E+01 1.5723E+01 H1 737 1.008000 0.423800 1.4069E+01 -1.6800E+01 1.5163E+01 H2 738 1.008000 0.423800 1.2788E+01 -1.7774E+01 1.5441E+01 O6 739 15.999400 -0.847600 -1.6677E+01 -9.4221E+00 -1.9119E+01 H1 740 1.008000 0.423800 -1.6193E+01 -9.3782E+00 -1.8244E+01 H2 741 1.008000 0.423800 -1.6036E+01 -9.6845E+00 1.9257E+01 O6 742 15.999400 -0.847600 -1.2507E+01 1.7020E+01 6.3719E+00 H1 743 1.008000 0.423800 -1.1739E+01 1.6854E+01 5.7532E+00 H2 744 1.008000 0.423800 -1.2164E+01 1.7145E+01 7.3028E+00 O6 745 15.999400 -0.847600 -1.1548E+01 -8.4273E+00 1.5918E+01 H1 746 1.008000 0.423800 -1.1920E+01 -7.5842E+00 1.6306E+01 H2 747 1.008000 0.423800 -1.0553E+01 -8.4300E+00 1.6019E+01 O6 748 15.999400 -0.847600 -9.5212E+00 -1.0414E+01 1.4077E+01 H1 749 1.008000 0.423800 -9.3525E+00 -1.1368E+01 1.3829E+01 H2 750 1.008000 0.423800 -9.2800E+00 -9.8219E+00 1.3308E+01 O6 751 15.999400 -0.847600 5.5454E+00 -7.7521E+00 -2.1393E+00 H1 752 1.008000 0.423800 5.3379E+00 -7.4310E+00 -1.2153E+00 H2 753 1.008000 0.423800 5.6489E+00 -8.7467E+00 -2.1311E+00 O6 754 15.999400 -0.847600 -5.0460E+00 -1.5412E+01 -1.6599E+00 H1 755 1.008000 0.423800 -5.8078E+00 -1.5624E+01 -1.0479E+00 H2 756 1.008000 0.423800 -4.7915E+00 -1.6232E+01 -2.1725E+00 O6 757 15.999400 -0.847600 2.6571E+00 -5.6497E+00 1.7984E+01 H1 758 1.008000 0.423800 3.6291E+00 -5.8816E+00 1.8022E+01 H2 759 1.008000 0.423800 2.5523E+00 -4.6555E+00 1.7962E+01 O6 760 15.999400 -0.847600 5.3736E+00 1.4818E+01 1.4682E+00 H1 761 1.008000 0.423800 5.8902E+00 1.3961E+01 1.4751E+00 H2 762 1.008000 0.423800 4.7949E+00 1.4864E+01 2.2824E+00 O6 763 15.999400 -0.847600 -2.9395E+00 6.1527E+00 -5.6287E+00 H1 764 1.008000 0.423800 -2.6192E+00 5.2631E+00 -5.9545E+00 H2 765 1.008000 0.423800 -3.3009E+00 6.0574E+00 -4.7012E+00 O6 766 15.999400 -0.847600 1.0097E+00 -1.3036E+01 -1.0993E+01 H1 767 1.008000 0.423800 1.4936E+00 -1.3225E+01 -1.0138E+01 H2 768 1.008000 0.423800 7.2837E-01 -1.2076E+01 -1.1011E+01 O6 769 15.999400 -0.847600 1.5878E+01 -5.6935E-01 -9.6596E+00 H1 770 1.008000 0.423800 1.6151E+01 3.3329E-01 -9.9928E+00 H2 771 1.008000 0.423800 1.4925E+01 -5.3972E-01 -9.3586E+00 O6 772 15.999400 -0.847600 -1.8848E+01 -6.1972E-01 1.9084E+01 H1 773 1.008000 0.423800 -1.8183E+01 -1.1473E+00 1.8555E+01 H2 774 1.008000 0.423800 -1.8370E+01 -7.7510E-02 -1.9323E+01 O6 775 15.999400 -0.847600 -1.7535E+01 1.4395E+01 1.6007E+01 H1 776 1.008000 0.423800 -1.7870E+01 1.4496E+01 1.5070E+01 H2 777 1.008000 0.423800 -1.8143E+01 1.4884E+01 1.6633E+01 O6 778 15.999400 -0.847600 -1.4363E+01 7.1699E+00 -2.4902E+00 H1 779 1.008000 0.423800 -1.3752E+01 6.3816E+00 -2.5611E+00 H2 780 1.008000 0.423800 -1.3918E+01 7.8896E+00 -1.9572E+00 O6 781 15.999400 -0.847600 -8.1028E-02 -7.1510E+00 1.2800E+01 H1 782 1.008000 0.423800 5.9807E-01 -7.8093E+00 1.2475E+01 H2 783 1.008000 0.423800 2.9081E-01 -6.6451E+00 1.3578E+01 O6 784 15.999400 -0.847600 1.4768E+01 1.6550E+01 -7.0078E+00 H1 785 1.008000 0.423800 1.5369E+01 1.7346E+01 -7.0754E+00 H2 786 1.008000 0.423800 1.4635E+01 1.6155E+01 -7.9167E+00 O6 787 15.999400 -0.847600 1.3163E+00 8.7662E+00 -9.7811E+00 H1 788 1.008000 0.423800 3.5320E-01 9.0164E+00 -9.6818E+00 H2 789 1.008000 0.423800 1.5862E+00 8.1725E+00 -9.0230E+00 O6 790 15.999400 -0.847600 4.8786E-01 1.2847E+01 -1.6846E+01 H1 791 1.008000 0.423800 -2.3479E-01 1.3529E+01 -1.6961E+01 H2 792 1.008000 0.423800 1.0283E-01 1.2018E+01 -1.6441E+01 O6 793 15.999400 -0.847600 1.0916E+01 -9.0540E+00 -1.6252E+01 H1 794 1.008000 0.423800 1.1342E+01 -9.6179E+00 -1.6959E+01 H2 795 1.008000 0.423800 1.0615E+01 -8.1882E+00 -1.6652E+01 O6 796 15.999400 -0.847600 9.1836E-01 1.6210E+01 8.6016E+00 H1 797 1.008000 0.423800 1.8607E+00 1.5915E+01 8.7592E+00 H2 798 1.008000 0.423800 4.0220E-01 1.5465E+01 8.1783E+00 O6 799 15.999400 -0.847600 1.5699E+01 -1.6297E+01 1.4685E+01 H1 800 1.008000 0.423800 1.6197E+01 -1.5596E+01 1.4176E+01 H2 801 1.008000 0.423800 1.6241E+01 -1.6585E+01 1.5474E+01 O6 802 15.999400 -0.847600 1.9028E+01 1.3385E+00 1.7475E+01 H1 803 1.008000 0.423800 1.8131E+01 1.0917E+00 1.7107E+01 H2 804 1.008000 0.423800 1.9410E+01 5.5905E-01 1.7972E+01 O6 805 15.999400 -0.847600 1.9264E+01 -9.6929E+00 9.6047E+00 H1 806 1.008000 0.423800 1.9222E+01 -1.0649E+01 9.3158E+00 H2 807 1.008000 0.423800 -1.8943E+01 -9.5092E+00 1.0021E+01 O6 808 15.999400 -0.847600 1.9169E+01 -2.3544E+00 -5.1990E+00 H1 809 1.008000 0.423800 1.9208E+01 -1.3555E+00 -5.1712E+00 H2 810 1.008000 0.423800 1.8246E+01 -2.6450E+00 -5.4515E+00 O6 811 15.999400 -0.847600 -5.3797E+00 1.3898E+01 -1.1349E+01 H1 812 1.008000 0.423800 -4.4914E+00 1.4060E+01 -1.0920E+01 H2 813 1.008000 0.423800 -5.3699E+00 1.4259E+01 -1.2282E+01 O6 814 15.999400 -0.847600 -5.9789E+00 1.6859E+01 -2.8175E+00 H1 815 1.008000 0.423800 -6.2241E+00 1.7265E+01 -1.9370E+00 H2 816 1.008000 0.423800 -5.3274E+00 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0.423800 8.2454E+00 -8.2406E+00 1.9126E+00 H2 834 1.008000 0.423800 8.6888E+00 -6.6712E+00 1.8294E+00 O6 835 15.999400 -0.847600 1.8378E+01 -1.4299E+00 1.3743E+01 H1 836 1.008000 0.423800 1.8310E+01 -2.0599E+00 1.4516E+01 H2 837 1.008000 0.423800 1.9336E+01 -1.1779E+00 1.3601E+01 O6 838 15.999400 -0.847600 -2.0899E+00 1.3869E+01 9.6420E+00 H1 839 1.008000 0.423800 -1.7593E+00 1.4098E+01 8.7263E+00 H2 840 1.008000 0.423800 -2.4405E+00 1.4694E+01 1.0085E+01 O6 841 15.999400 -0.847600 -1.5018E+01 6.9729E-01 -5.6993E+00 H1 842 1.008000 0.423800 -1.4687E+01 2.0131E-01 -4.8964E+00 H2 843 1.008000 0.423800 -1.4315E+01 1.3373E+00 -6.0088E+00 O6 844 15.999400 -0.847600 9.3473E+00 -1.8422E+01 1.0974E+01 H1 845 1.008000 0.423800 9.8838E+00 -1.8106E+01 1.0191E+01 H2 846 1.008000 0.423800 8.5147E+00 -1.7873E+01 1.1050E+01 O6 847 15.999400 -0.847600 4.7191E+00 -1.1364E+01 1.7500E+01 H1 848 1.008000 0.423800 4.9675E+00 -1.0449E+01 1.7180E+01 H2 849 1.008000 0.423800 4.9938E+00 -1.2042E+01 1.6818E+01 O6 850 15.999400 -0.847600 8.3926E-01 -1.9281E+01 -2.0107E+00 H1 851 1.008000 0.423800 7.2237E-01 1.8867E+01 -2.3013E+00 H2 852 1.008000 0.423800 5.8489E-01 -1.8669E+01 -2.7600E+00 O6 853 15.999400 -0.847600 1.7817E+01 4.7745E+00 7.9599E+00 H1 854 1.008000 0.423800 1.7795E+01 5.6753E+00 7.5261E+00 H2 855 1.008000 0.423800 1.8757E+01 4.5498E+00 8.2146E+00 O6 856 15.999400 -0.847600 6.7529E+00 -7.2205E+00 -1.2910E+01 H1 857 1.008000 0.423800 7.2933E+00 -8.0171E+00 -1.2638E+01 H2 858 1.008000 0.423800 7.0179E+00 -6.9360E+00 -1.3831E+01 O6 859 15.999400 -0.847600 1.4245E+01 1.1448E+00 -6.7156E+00 H1 860 1.008000 0.423800 1.4461E+01 1.5427E+00 -5.8240E+00 H2 861 1.008000 0.423800 1.4777E+01 1.6079E+00 -7.4249E+00 O6 862 15.999400 -0.847600 8.1274E+00 -4.0993E+00 -1.2743E+01 H1 863 1.008000 0.423800 8.4246E+00 -3.4659E+00 -1.2029E+01 H2 864 1.008000 0.423800 8.2039E+00 -5.0386E+00 -1.2409E+01 O6 865 15.999400 -0.847600 1.3911E+01 -1.2235E+01 1.7857E+01 H1 866 1.008000 0.423800 1.4220E+01 -1.3159E+01 1.8080E+01 H2 867 1.008000 0.423800 1.4448E+01 -1.1879E+01 1.7092E+01 O6 868 15.999400 -0.847600 1.6031E+01 -1.0214E+00 1.6576E+00 H1 869 1.008000 0.423800 1.5158E+01 -1.4979E+00 1.7611E+00 H2 870 1.008000 0.423800 1.6777E+01 -1.6326E+00 1.9203E+00 O6 871 15.999400 -0.847600 -1.0663E+01 6.5652E-01 -7.1450E+00 H1 872 1.008000 0.423800 -1.0784E+01 -3.7115E-02 -7.8550E+00 H2 873 1.008000 0.423800 -1.0726E+01 2.2636E-01 -6.2445E+00 O6 874 15.999400 -0.847600 -8.6538E+00 1.1941E+01 -1.6765E+01 H1 875 1.008000 0.423800 -9.2225E+00 1.1526E+01 -1.7475E+01 H2 876 1.008000 0.423800 -8.9333E+00 1.1595E+01 -1.5870E+01 O6 877 15.999400 -0.847600 -1.6788E+01 5.9879E+00 -1.7497E+01 H1 878 1.008000 0.423800 -1.6580E+01 6.9459E+00 -1.7299E+01 H2 879 1.008000 0.423800 -1.6001E+01 5.4198E+00 -1.7257E+01 O6 880 15.999400 -0.847600 -1.0401E+01 -1.7526E+01 -8.2468E+00 H1 881 1.008000 0.423800 -1.0420E+01 -1.7491E+01 -7.2476E+00 H2 882 1.008000 0.423800 -1.1336E+01 -1.7516E+01 -8.5992E+00 O6 883 15.999400 -0.847600 -5.6951E+00 -2.6632E+00 1.9165E+01 H1 884 1.008000 0.423800 -4.9320E+00 -3.2685E+00 1.9391E+01 H2 885 1.008000 0.423800 -6.5248E+00 -3.2065E+00 1.9037E+01 O6 886 15.999400 -0.847600 -1.4451E+01 -1.1578E+01 3.7608E+00 H1 887 1.008000 0.423800 -1.4730E+01 -1.2037E+01 4.6044E+00 H2 888 1.008000 0.423800 -1.3785E+01 -1.2146E+01 3.2773E+00 O6 889 15.999400 -0.847600 2.5875E+00 1.3872E+01 7.2850E+00 H1 890 1.008000 0.423800 2.0120E+00 1.3092E+01 7.0398E+00 H2 891 1.008000 0.423800 2.9509E+00 1.4292E+01 6.4536E+00 O6 892 15.999400 -0.847600 5.1294E+00 1.3183E+01 8.2102E+00 H1 893 1.008000 0.423800 4.2760E+00 1.3323E+01 7.7080E+00 H2 894 1.008000 0.423800 5.0271E+00 1.2406E+01 8.8312E+00 O6 895 15.999400 -0.847600 1.9042E+01 -8.3343E+00 4.1711E+00 H1 896 1.008000 0.423800 1.9392E+01 -7.4521E+00 4.4870E+00 H2 897 1.008000 0.423800 1.8048E+01 -8.3559E+00 4.2757E+00 O6 898 15.999400 -0.847600 -1.7318E+00 -1.6662E+01 1.6988E+01 H1 899 1.008000 0.423800 -1.0392E+00 -1.7344E+01 1.7224E+01 H2 900 1.008000 0.423800 -1.5462E+00 -1.6300E+01 1.6074E+01 O6 901 15.999400 -0.847600 -8.5923E+00 1.5684E+01 -1.8640E+01 H1 902 1.008000 0.423800 -7.7774E+00 1.5752E+01 -1.9216E+01 H2 903 1.008000 0.423800 -9.2044E+00 1.6450E+01 -1.8838E+01 O6 904 15.999400 -0.847600 -3.6340E+00 -1.4069E+01 -1.0619E+01 H1 905 1.008000 0.423800 -2.9241E+00 -1.4243E+01 -1.1302E+01 H2 906 1.008000 0.423800 -4.5314E+00 -1.4087E+01 -1.1060E+01 O6 907 15.999400 -0.847600 3.8177E+00 8.2393E+00 1.6666E+01 H1 908 1.008000 0.423800 3.8573E+00 8.8705E+00 1.7441E+01 H2 909 1.008000 0.423800 4.6642E+00 8.3064E+00 1.6138E+01 O6 910 15.999400 -0.847600 -5.8504E+00 -1.3481E+01 1.5025E+00 H1 911 1.008000 0.423800 -5.0547E+00 -1.3663E+01 2.0801E+00 H2 912 1.008000 0.423800 -6.0923E+00 -1.4309E+01 9.9737E-01 O6 913 15.999400 -0.847600 -9.4686E+00 2.9318E+00 -8.2571E+00 H1 914 1.008000 0.423800 -1.0104E+01 2.1958E+00 -8.0236E+00 H2 915 1.008000 0.423800 -9.9367E+00 3.6084E+00 -8.8256E+00 O6 916 15.999400 -0.847600 1.2478E+01 1.9458E+01 -1.3342E+01 H1 917 1.008000 0.423800 1.3431E+01 -1.9391E+01 -1.3512E+01 H2 918 1.008000 0.423800 1.1925E+01 -1.9407E+01 -1.4142E+01 O6 919 15.999400 -0.847600 5.4436E+00 -8.7059E+00 1.7793E+01 H1 920 1.008000 0.423800 6.0152E+00 -9.2160E+00 1.8436E+01 H2 921 1.008000 0.423800 5.7559E+00 -7.7569E+00 1.7750E+01 O6 922 15.999400 -0.847600 -3.7078E+00 1.8912E+01 -1.3330E+01 H1 923 1.008000 0.423800 -2.7779E+00 1.8721E+01 -1.3016E+01 H2 924 1.008000 0.423800 -4.3592E+00 1.8667E+01 -1.2612E+01 O6 925 15.999400 -0.847600 1.3906E+00 8.0494E+00 8.7264E+00 H1 926 1.008000 0.423800 2.2901E+00 7.7884E+00 9.0769E+00 H2 927 1.008000 0.423800 9.4181E-01 7.2482E+00 8.3307E+00 O6 928 15.999400 -0.847600 5.7436E-01 6.7868E-01 7.8591E+00 H1 929 1.008000 0.423800 1.4912E+00 6.1469E-01 7.4650E+00 H2 930 1.008000 0.423800 -9.0629E-02 8.4414E-01 7.1308E+00 O6 931 15.999400 -0.847600 -1.5093E+01 1.1721E+01 1.1150E+01 H1 932 1.008000 0.423800 -1.5520E+01 1.1332E+01 1.1967E+01 H2 933 1.008000 0.423800 -1.5089E+01 1.2719E+01 1.1219E+01 O6 934 15.999400 -0.847600 1.7876E+00 1.2308E+01 1.2341E+01 H1 935 1.008000 0.423800 2.4797E+00 1.1737E+01 1.2782E+01 H2 936 1.008000 0.423800 2.1074E+00 1.2577E+01 1.1432E+01 O6 937 15.999400 -0.847600 3.0020E+00 -1.0859E+01 -1.0787E+00 H1 938 1.008000 0.423800 2.2908E+00 -1.1442E+01 -1.4719E+00 H2 939 1.008000 0.423800 2.8082E+00 -9.9028E+00 -1.2980E+00 O6 940 15.999400 -0.847600 -1.7965E+00 9.1416E+00 -1.8338E+01 H1 941 1.008000 0.423800 -1.7191E+00 9.5673E+00 -1.7437E+01 H2 942 1.008000 0.423800 -2.5919E+00 9.5148E+00 -1.8816E+01 O6 943 15.999400 -0.847600 -4.0447E+00 -1.1260E+01 1.1751E+01 H1 944 1.008000 0.423800 -4.7329E+00 -1.1209E+01 1.2475E+01 H2 945 1.008000 0.423800 -3.1757E+00 -1.1567E+01 1.2138E+01 O6 946 15.999400 -0.847600 -6.4609E+00 -1.5167E-01 -7.9168E+00 H1 947 1.008000 0.423800 -6.3777E+00 4.1963E-01 -7.1002E+00 H2 948 1.008000 0.423800 -5.5719E+00 -5.5531E-01 -8.1330E+00 O6 949 15.999400 -0.847600 1.3192E+01 -5.4616E+00 1.9874E+00 H1 950 1.008000 0.423800 1.2606E+01 -5.3196E+00 1.1897E+00 H2 951 1.008000 0.423800 1.4071E+01 -5.8363E+00 1.6927E+00 O6 952 15.999400 -0.847600 1.0057E+01 1.3225E+01 -9.1986E+00 H1 953 1.008000 0.423800 1.1057E+01 1.3243E+01 -9.1850E+00 H2 954 1.008000 0.423800 9.7424E+00 1.2281E+01 -9.2946E+00 O6 955 15.999400 -0.847600 4.5602E+00 -1.0652E+01 1.2104E+00 H1 956 1.008000 0.423800 4.6300E+00 -9.6546E+00 1.2019E+00 H2 957 1.008000 0.423800 4.0703E+00 -1.0959E+01 3.9445E-01 O6 958 15.999400 -0.847600 -8.8661E+00 -6.9648E+00 -7.2444E+00 H1 959 1.008000 0.423800 -9.5825E+00 -7.4433E+00 -6.7366E+00 H2 960 1.008000 0.423800 -8.0674E+00 -6.8395E+00 -6.6559E+00 O6 961 15.999400 -0.847600 8.8852E+00 -1.0089E+01 -3.7058E-01 H1 962 1.008000 0.423800 8.6177E+00 -9.3623E+00 2.6182E-01 H2 963 1.008000 0.423800 9.4940E+00 -9.7152E+00 -1.0701E+00 O6 964 15.999400 -0.847600 1.1342E+01 5.3983E+00 8.8321E+00 H1 965 1.008000 0.423800 1.1037E+01 5.0574E+00 7.9430E+00 H2 966 1.008000 0.423800 1.2216E+01 4.9730E+00 9.0698E+00 O6 967 15.999400 -0.847600 -1.5989E+01 -2.3772E+00 8.4607E+00 H1 968 1.008000 0.423800 -1.6368E+01 -2.8479E+00 7.6637E+00 H2 969 1.008000 0.423800 -1.6665E+01 -1.7337E+00 8.8200E+00 O6 970 15.999400 -0.847600 1.5416E+01 9.0082E+00 5.0764E+00 H1 971 1.008000 0.423800 1.4856E+01 8.2807E+00 5.4731E+00 H2 972 1.008000 0.423800 1.5787E+01 9.5799E+00 5.8082E+00 O6 973 15.999400 -0.847600 -5.4715E+00 -1.3720E+01 -1.7708E+01 H1 974 1.008000 0.423800 -4.8514E+00 -1.4499E+01 -1.7795E+01 H2 975 1.008000 0.423800 -4.9519E+00 -1.2909E+01 -1.7438E+01 O6 976 15.999400 -0.847600 9.6740E+00 -1.2625E+01 5.7728E-01 H1 977 1.008000 0.423800 9.2756E+00 -1.1749E+01 3.0510E-01 H2 978 1.008000 0.423800 1.0298E+01 -1.2483E+01 1.3453E+00 O6 979 15.999400 -0.847600 1.0394E+00 -5.8703E+00 -1.8461E+01 H1 980 1.008000 0.423800 9.5504E-01 -6.7372E+00 -1.8952E+01 H2 981 1.008000 0.423800 1.9306E+00 -5.4614E+00 -1.8657E+01 O6 982 15.999400 -0.847600 -1.5543E+01 -6.0027E-02 1.0641E+01 H1 983 1.008000 0.423800 -1.4751E+01 -3.5033E-01 1.0104E+01 H2 984 1.008000 0.423800 -1.5446E+01 -3.8654E-01 1.1581E+01 O6 985 15.999400 -0.847600 -2.0652E+00 -1.0356E+01 9.8922E+00 H1 986 1.008000 0.423800 -1.5112E+00 -1.1125E+01 9.5748E+00 H2 987 1.008000 0.423800 -2.7184E+00 -1.0676E+01 1.0578E+01 O6 988 15.999400 -0.847600 5.0237E+00 1.0798E+01 9.3603E+00 H1 989 1.008000 0.423800 4.0938E+00 1.0495E+01 9.1524E+00 H2 990 1.008000 0.423800 5.4199E+00 1.0203E+01 1.0060E+01 O6 991 15.999400 -0.847600 -1.2395E+01 -3.0588E+00 -4.8325E+00 H1 992 1.008000 0.423800 -1.2469E+01 -3.2552E+00 -3.8547E+00 H2 993 1.008000 0.423800 -1.3311E+01 -2.9728E+00 -5.2251E+00 O6 994 15.999400 -0.847600 1.1718E+01 3.5800E+00 4.5635E+00 H1 995 1.008000 0.423800 1.1955E+01 4.2589E+00 3.8688E+00 H2 996 1.008000 0.423800 1.2539E+01 3.3210E+00 5.0710E+00 O6 997 15.999400 -0.847600 1.2218E+01 -1.1050E+01 9.3440E+00 H1 998 1.008000 0.423800 1.2956E+01 -1.0374E+01 9.3453E+00 H2 999 1.008000 0.423800 1.1465E+01 -1.0719E+01 8.7750E+00 O6 1000 15.999400 -0.847600 2.2651E+00 -8.5372E+00 1.7442E+01 H1 1001 1.008000 0.423800 2.2911E+00 -7.5530E+00 1.7267E+01 H2 1002 1.008000 0.423800 3.1874E+00 -8.8632E+00 1.7650E+01 O6 1003 15.999400 -0.847600 -7.0700E+00 1.8324E+01 3.3605E+00 H1 1004 1.008000 0.423800 -6.4780E+00 1.8806E+01 2.7149E+00 H2 1005 1.008000 0.423800 -8.0174E+00 1.8614E+01 3.2247E+00 O6 1006 15.999400 -0.847600 -1.5953E+00 -8.6133E+00 1.5120E+01 H1 1007 1.008000 0.423800 -9.8097E-01 -9.3490E+00 1.5406E+01 H2 1008 1.008000 0.423800 -1.3284E+00 -8.2896E+00 1.4213E+01 O6 1009 15.999400 -0.847600 4.9090E+00 1.5883E+01 -1.7979E+01 H1 1010 1.008000 0.423800 4.0148E+00 1.5540E+01 -1.7691E+01 H2 1011 1.008000 0.423800 4.8238E+00 1.6837E+01 -1.8265E+01 O6 1012 15.999400 -0.847600 9.9358E+00 4.3396E+00 6.7491E+00 H1 1013 1.008000 0.423800 1.0441E+01 3.8232E+00 6.0579E+00 H2 1014 1.008000 0.423800 8.9933E+00 4.0079E+00 6.7896E+00 O6 1015 15.999400 -0.847600 -1.4726E+00 9.5588E+00 -9.4930E+00 H1 1016 1.008000 0.423800 -2.3002E+00 9.2465E+00 -9.0265E+00 H2 1017 1.008000 0.423800 -1.6245E+00 1.0475E+01 -9.8635E+00 O6 1018 15.999400 -0.847600 -1.9356E+01 -9.6355E+00 -3.5386E+00 H1 1019 1.008000 0.423800 -1.8923E+01 -9.7885E+00 -4.4266E+00 H2 1020 1.008000 0.423800 1.8754E+01 -9.5322E+00 -3.6630E+00 O6 1021 15.999400 -0.847600 1.6700E+01 -1.4428E+01 -1.8412E+01 H1 1022 1.008000 0.423800 1.7072E+01 -1.5333E+01 -1.8205E+01 H2 1023 1.008000 0.423800 1.5753E+01 -1.4376E+01 -1.8095E+01 O6 1024 15.999400 -0.847600 -1.4467E+01 -1.6398E+00 -8.6996E+00 H1 1025 1.008000 0.423800 -1.4307E+01 -2.1314E+00 -9.5556E+00 H2 1026 1.008000 0.423800 -1.4074E+01 -2.1578E+00 -7.9396E+00 O6 1027 15.999400 -0.847600 1.0552E+01 2.4863E+00 -1.8008E+01 H1 1028 1.008000 0.423800 1.0902E+01 3.1859E+00 -1.8631E+01 H2 1029 1.008000 0.423800 1.1282E+01 2.1961E+00 -1.7389E+01 O6 1030 15.999400 -0.847600 -9.2650E+00 1.8459E+01 7.4058E+00 H1 1031 1.008000 0.423800 -8.4014E+00 1.8168E+01 6.9940E+00 H2 1032 1.008000 0.423800 -9.2973E+00 1.9458E+01 7.4418E+00 O6 1033 15.999400 -0.847600 -8.5306E+00 8.1218E+00 8.3794E+00 H1 1034 1.008000 0.423800 -8.7720E+00 8.6763E+00 9.1758E+00 H2 1035 1.008000 0.423800 -7.7764E+00 7.5093E+00 8.6161E+00 O6 1036 15.999400 -0.847600 9.6083E+00 6.2435E+00 -1.4346E+01 H1 1037 1.008000 0.423800 1.0596E+01 6.3728E+00 -1.4435E+01 H2 1038 1.008000 0.423800 9.3571E+00 5.3415E+00 -1.4697E+01 O6 1039 15.999400 -0.847600 -1.7204E+01 -1.8181E+01 -1.2060E+01 H1 1040 1.008000 0.423800 -1.7919E+01 -1.7953E+01 -1.1400E+01 H2 1041 1.008000 0.423800 -1.7439E+01 -1.9034E+01 -1.2525E+01 O6 1042 15.999400 -0.847600 -6.7166E+00 4.0829E+00 -4.0864E+00 H1 1043 1.008000 0.423800 -5.8668E+00 4.5453E+00 -3.8333E+00 H2 1044 1.008000 0.423800 -6.8480E+00 4.1450E+00 -5.0757E+00 O6 1045 15.999400 -0.847600 8.0324E+00 5.2725E+00 -1.8350E+01 H1 1046 1.008000 0.423800 7.3735E+00 5.3671E+00 -1.9097E+01 H2 1047 1.008000 0.423800 7.8448E+00 4.4303E+00 -1.7845E+01 O6 1048 15.999400 -0.847600 -9.1538E+00 -1.0270E+01 -7.1562E+00 H1 1049 1.008000 0.423800 -8.3139E+00 -1.0436E+01 -7.6731E+00 H2 1050 1.008000 0.423800 -9.5220E+00 -9.3723E+00 -7.3976E+00 O6 1051 15.999400 -0.847600 8.8151E+00 -1.6854E+00 -1.4519E+01 H1 1052 1.008000 0.423800 9.7176E+00 -1.2824E+00 -1.4368E+01 H2 1053 1.008000 0.423800 8.7131E+00 -2.4991E+00 -1.3947E+01 O6 1054 15.999400 -0.847600 -9.0649E+00 3.3186E+00 1.0419E+01 H1 1055 1.008000 0.423800 -9.1624E+00 3.8747E+00 1.1245E+01 H2 1056 1.008000 0.423800 -9.6060E+00 3.7206E+00 9.6808E+00 O6 1057 15.999400 -0.847600 6.2503E+00 -1.3138E+01 1.5948E+01 H1 1058 1.008000 0.423800 7.0606E+00 -1.2620E+01 1.6223E+01 H2 1059 1.008000 0.423800 6.0122E+00 -1.2910E+01 1.5005E+01 O6 1060 15.999400 -0.847600 -5.0125E+00 2.0255E+00 1.6793E+01 H1 1061 1.008000 0.423800 -4.3578E+00 2.2376E+00 1.7519E+01 H2 1062 1.008000 0.423800 -4.5339E+00 1.5948E+00 1.6028E+01 O6 1063 15.999400 -0.847600 -1.2244E+01 -1.0748E+01 -6.6401E+00 H1 1064 1.008000 0.423800 -1.1261E+01 -1.0651E+01 -6.7980E+00 H2 1065 1.008000 0.423800 -1.2746E+01 -1.0290E+01 -7.3739E+00 O6 1066 15.999400 -0.847600 -6.1977E+00 -1.8584E+01 -5.7145E+00 H1 1067 1.008000 0.423800 -6.8534E+00 -1.9329E+01 -5.8382E+00 H2 1068 1.008000 0.423800 -6.2756E+00 -1.8222E+01 -4.7855E+00 O6 1069 15.999400 -0.847600 -1.0958E+01 1.0590E+01 1.6293E+01 H1 1070 1.008000 0.423800 -1.1612E+01 1.1339E+01 1.6404E+01 H2 1071 1.008000 0.423800 -1.1084E+01 9.9266E+00 1.7031E+01 O6 1072 15.999400 -0.847600 -1.9475E+01 1.2332E+01 -6.0750E-01 H1 1073 1.008000 0.423800 1.9359E+01 1.1380E+01 -4.5026E-01 H2 1074 1.008000 0.423800 -1.8668E+01 1.2549E+01 -5.9048E-02 O6 1075 15.999400 -0.847600 -1.3724E+01 6.0028E+00 -1.2498E+01 H1 1076 1.008000 0.423800 -1.3028E+01 6.6995E+00 -1.2328E+01 H2 1077 1.008000 0.423800 -1.4633E+01 6.4114E+00 -1.2410E+01 O6 1078 15.999400 -0.847600 -1.1009E+01 -1.4035E+01 -1.2969E+01 H1 1079 1.008000 0.423800 -1.0661E+01 -1.3479E+01 -1.2214E+01 H2 1080 1.008000 0.423800 -1.1196E+01 -1.4961E+01 -1.2641E+01 O6 1081 15.999400 -0.847600 -1.4923E+01 5.4436E+00 1.6181E+01 H1 1082 1.008000 0.423800 -1.5264E+01 4.5687E+00 1.6525E+01 H2 1083 1.008000 0.423800 -1.4587E+01 5.3261E+00 1.5246E+01 O6 1084 15.999400 -0.847600 1.4612E+01 -9.5731E+00 9.7473E+00 H1 1085 1.008000 0.423800 1.5113E+01 -1.0427E+01 9.6092E+00 H2 1086 1.008000 0.423800 1.5248E+01 -8.8030E+00 9.7050E+00 O6 1087 15.999400 -0.847600 -3.6467E+00 -1.5393E+01 1.3052E+01 H1 1088 1.008000 0.423800 -3.1656E+00 -1.6138E+01 1.2591E+01 H2 1089 1.008000 0.423800 -3.3379E+00 -1.4517E+01 1.2682E+01 O6 1090 15.999400 -0.847600 -3.8398E+00 -9.9552E-01 -2.0846E-01 H1 1091 1.008000 0.423800 -4.1933E+00 -6.6450E-02 -3.1775E-01 H2 1092 1.008000 0.423800 -2.8457E+00 -9.6387E-01 -1.0500E-01 O6 1093 15.999400 -0.847600 -7.5759E-01 1.6358E+01 1.2106E+01 H1 1094 1.008000 0.423800 1.5483E-01 1.6645E+01 1.1814E+01 H2 1095 1.008000 0.423800 -1.2751E+00 1.7155E+01 1.2415E+01 O6 1096 15.999400 -0.847600 8.8738E-01 -1.7557E+01 1.8350E+01 H1 1097 1.008000 0.423800 5.4816E-01 -1.8327E+01 1.7809E+01 H2 1098 1.008000 0.423800 1.4275E+00 -1.7902E+01 1.9118E+01 O6 1099 15.999400 -0.847600 1.6538E+01 3.2112E+00 -1.2468E-01 H1 1100 1.008000 0.423800 1.5720E+01 2.9514E+00 3.8815E-01 H2 1101 1.008000 0.423800 1.6926E+01 4.0454E+00 2.6715E-01 O6 1102 15.999400 -0.847600 1.2786E+01 -1.0337E+01 -1.4676E+01 H1 1103 1.008000 0.423800 1.3530E+01 -9.8284E+00 -1.4243E+01 H2 1104 1.008000 0.423800 1.2367E+01 -9.7724E+00 -1.5388E+01 O6 1105 15.999400 -0.847600 7.9591E+00 2.4816E+00 -1.7140E+01 H1 1106 1.008000 0.423800 8.7743E+00 2.4106E+00 -1.7715E+01 H2 1107 1.008000 0.423800 7.6590E+00 1.5659E+00 -1.6873E+01 O6 1108 15.999400 -0.847600 -7.0390E-01 1.5285E+01 -1.7520E+01 H1 1109 1.008000 0.423800 -1.5354E+00 1.5839E+01 -1.7477E+01 H2 1110 1.008000 0.423800 6.2198E-02 1.5804E+01 -1.7141E+01 O6 1111 15.999400 -0.847600 6.6980E+00 1.7632E+01 1.3806E+00 H1 1112 1.008000 0.423800 6.1001E+00 1.6917E+01 1.7431E+00 H2 1113 1.008000 0.423800 6.7413E+00 1.7556E+01 3.8436E-01 O6 1114 15.999400 -0.847600 -5.9014E+00 9.7263E+00 -3.3089E+00 H1 1115 1.008000 0.423800 -6.3615E+00 9.5925E+00 -2.4312E+00 H2 1116 1.008000 0.423800 -5.2106E+00 9.0143E+00 -3.4350E+00 O6 1117 15.999400 -0.847600 7.2272E+00 -1.3960E-01 -1.6125E+01 H1 1118 1.008000 0.423800 6.3441E+00 1.8169E-01 -1.5783E+01 H2 1119 1.008000 0.423800 7.6399E+00 -7.5611E-01 -1.5455E+01 O6 1120 15.999400 -0.847600 -1.0970E+01 1.3738E+01 -1.5411E+01 H1 1121 1.008000 0.423800 -1.1562E+01 1.4365E+01 -1.4904E+01 H2 1122 1.008000 0.423800 -1.0060E+01 1.3730E+01 -1.4996E+01 O6 1123 15.999400 -0.847600 -7.9391E+00 5.6214E+00 -1.5136E+01 H1 1124 1.008000 0.423800 -7.6235E+00 5.9508E+00 -1.4246E+01 H2 1125 1.008000 0.423800 -8.9352E+00 5.6940E+00 -1.5184E+01 O6 1126 15.999400 -0.847600 -1.9042E+01 5.1832E+00 -1.9177E+01 H1 1127 1.008000 0.423800 -1.8928E+01 5.6391E+00 1.9038E+01 H2 1128 1.008000 0.423800 -1.8448E+01 5.6158E+00 -1.8499E+01 O6 1129 15.999400 -0.847600 -1.3444E+01 2.6084E+00 -2.4000E+00 H1 1130 1.008000 0.423800 -1.2505E+01 2.2833E+00 -2.5094E+00 H2 1131 1.008000 0.423800 -1.3653E+01 2.7022E+00 -1.4266E+00 O6 1132 15.999400 -0.847600 9.5942E-01 1.6051E+01 2.7045E+00 H1 1133 1.008000 0.423800 1.8482E+00 1.5627E+01 2.5280E+00 H2 1134 1.008000 0.423800 1.0641E+00 1.6773E+01 3.3875E+00 O6 1135 15.999400 -0.847600 3.6100E+00 1.4547E+01 1.7746E+01 H1 1136 1.008000 0.423800 3.5805E+00 1.3623E+01 1.7363E+01 H2 1137 1.008000 0.423800 2.8277E+00 1.4680E+01 1.8354E+01 O6 1138 15.999400 -0.847600 1.2814E+01 -1.7145E+01 -1.7064E+01 H1 1139 1.008000 0.423800 1.2249E+01 -1.7895E+01 -1.6718E+01 H2 1140 1.008000 0.423800 1.2979E+01 -1.7276E+01 -1.8042E+01 O6 1141 15.999400 -0.847600 -1.9324E+01 -1.6594E+01 1.8808E+01 H1 1142 1.008000 0.423800 -1.8554E+01 -1.5980E+01 1.8983E+01 H2 1143 1.008000 0.423800 -1.8981E+01 -1.7472E+01 1.8473E+01 O6 1144 15.999400 -0.847600 7.8179E-01 -1.2024E+01 -1.9225E+00 H1 1145 1.008000 0.423800 3.7505E-01 -1.1138E+01 -2.1454E+00 H2 1146 1.008000 0.423800 2.2634E-01 -1.2755E+01 -2.3191E+00 O6 1147 15.999400 -0.847600 1.4042E+01 3.8059E+00 -1.4052E+01 H1 1148 1.008000 0.423800 1.4453E+01 4.6330E+00 -1.4436E+01 H2 1149 1.008000 0.423800 1.3568E+01 4.0331E+00 -1.3202E+01 O6 1150 15.999400 -0.847600 -5.0832E+00 -7.5102E+00 1.8531E+01 H1 1151 1.008000 0.423800 -6.0161E+00 -7.5469E+00 1.8890E+01 H2 1152 1.008000 0.423800 -5.1020E+00 -7.6343E+00 1.7539E+01 O6 1153 15.999400 -0.847600 -1.2101E+01 -1.3371E+01 3.1626E+00 H1 1154 1.008000 0.423800 -1.1241E+01 -1.3245E+01 2.6681E+00 H2 1155 1.008000 0.423800 -1.1949E+01 -1.3220E+01 4.1394E+00 O6 1156 15.999400 -0.847600 7.0036E+00 8.2936E+00 8.9384E+00 H1 1157 1.008000 0.423800 7.9568E+00 8.0089E+00 9.0400E+00 H2 1158 1.008000 0.423800 6.4886E+00 8.0313E+00 9.7545E+00 O6 1159 15.999400 -0.847600 5.3042E+00 1.2814E+01 -1.7879E+01 H1 1160 1.008000 0.423800 4.9289E+00 1.2384E+01 -1.8701E+01 H2 1161 1.008000 0.423800 5.5857E+00 1.3750E+01 -1.8092E+01 O6 1162 15.999400 -0.847600 -1.3607E+01 1.7868E+01 -4.0814E+00 H1 1163 1.008000 0.423800 -1.4220E+01 1.8435E+01 -4.6315E+00 H2 1164 1.008000 0.423800 -1.3772E+01 1.8044E+01 -3.1109E+00 O6 1165 15.999400 -0.847600 1.5205E+01 -1.0576E+01 -7.1204E+00 H1 1166 1.008000 0.423800 1.5434E+01 -9.7002E+00 -6.6958E+00 H2 1167 1.008000 0.423800 1.4788E+01 -1.0414E+01 -8.0147E+00 O6 1168 15.999400 -0.847600 -4.0261E+00 1.8521E+01 1.0557E+01 H1 1169 1.008000 0.423800 -4.7833E+00 1.9139E+01 1.0347E+01 H2 1170 1.008000 0.423800 -3.4671E+00 1.8915E+01 1.1287E+01 O6 1171 15.999400 -0.847600 1.9435E+01 1.6750E+01 7.3471E+00 H1 1172 1.008000 0.423800 1.8472E+01 1.6481E+01 7.3343E+00 H2 1173 1.008000 0.423800 -1.9267E+01 1.6533E+01 8.2399E+00 O6 1174 15.999400 -0.847600 1.2245E+01 -3.3530E+00 1.2893E+01 H1 1175 1.008000 0.423800 1.1940E+01 -3.8622E+00 1.3697E+01 H2 1176 1.008000 0.423800 1.1525E+01 -2.7234E+00 1.2603E+01 O6 1177 15.999400 -0.847600 1.5061E+01 -3.2326E+00 1.1772E+01 H1 1178 1.008000 0.423800 1.5390E+01 -4.1578E+00 1.1581E+01 H2 1179 1.008000 0.423800 1.4117E+01 -3.2746E+00 1.2099E+01 O6 1180 15.999400 -0.847600 5.0558E-01 -1.4054E+00 -8.7905E+00 H1 1181 1.008000 0.423800 1.4157E+00 -1.0488E+00 -8.5797E+00 H2 1182 1.008000 0.423800 -4.6291E-02 -6.8416E-01 -9.2090E+00 O6 1183 15.999400 -0.847600 -1.0783E+01 -3.0104E+00 5.2423E+00 H1 1184 1.008000 0.423800 -1.1467E+01 -3.6893E+00 5.5094E+00 H2 1185 1.008000 0.423800 -1.0056E+01 -2.9824E+00 5.9281E+00 O6 1186 15.999400 -0.847600 4.7491E+00 5.6712E+00 -3.7122E+00 H1 1187 1.008000 0.423800 4.2323E+00 5.0651E+00 -3.1075E+00 H2 1188 1.008000 0.423800 5.7192E+00 5.6333E+00 -3.4721E+00 O6 1189 15.999400 -0.847600 1.2679E+01 -1.0596E+01 -1.0819E+01 H1 1190 1.008000 0.423800 1.2597E+01 -1.1484E+01 -1.1272E+01 H2 1191 1.008000 0.423800 1.3432E+01 -1.0081E+01 -1.1230E+01 O6 1192 15.999400 -0.847600 2.2855E+00 1.1121E+01 -2.4457E+00 H1 1193 1.008000 0.423800 2.5257E+00 1.1340E+01 -3.3914E+00 H2 1194 1.008000 0.423800 2.4096E+00 1.1932E+01 -1.8740E+00 O6 1195 15.999400 -0.847600 -1.5381E+01 2.5070E+00 -1.8706E+01 H1 1196 1.008000 0.423800 -1.5173E+01 3.2569E+00 -1.8077E+01 H2 1197 1.008000 0.423800 -1.6325E+01 2.2082E+00 -1.8568E+01 O6 1198 15.999400 -0.847600 7.2490E+00 -1.3274E+01 -1.4670E+01 H1 1199 1.008000 0.423800 7.6004E+00 -1.4060E+01 -1.5179E+01 H2 1200 1.008000 0.423800 6.2498E+00 -1.3271E+01 -1.4709E+01 O6 1201 15.999400 -0.847600 1.6995E+01 1.3638E+01 -6.1272E+00 H1 1202 1.008000 0.423800 1.7219E+01 1.4349E+01 -6.7936E+00 H2 1203 1.008000 0.423800 1.6001E+01 1.3541E+01 -6.0651E+00 O6 1204 15.999400 -0.847600 -1.1876E+01 2.4237E+00 4.9593E+00 H1 1205 1.008000 0.423800 -1.1992E+01 3.2936E+00 4.4798E+00 H2 1206 1.008000 0.423800 -1.1344E+01 1.7975E+00 4.3895E+00 O6 1207 15.999400 -0.847600 -1.1327E+01 -1.4060E+00 2.9578E+00 H1 1208 1.008000 0.423800 -1.1046E+01 -2.0812E+00 3.6399E+00 H2 1209 1.008000 0.423800 -1.2326E+01 -1.3818E+00 2.9043E+00 O6 1210 15.999400 -0.847600 -4.6328E+00 2.7185E+00 1.0415E+01 H1 1211 1.008000 0.423800 -4.7414E+00 3.2161E+00 1.1276E+01 H2 1212 1.008000 0.423800 -5.3655E+00 2.9773E+00 9.7861E+00 O6 1213 15.999400 -0.847600 1.7560E+01 8.6333E+00 -1.6216E+01 H1 1214 1.008000 0.423800 1.7823E+01 9.5830E+00 -1.6386E+01 H2 1215 1.008000 0.423800 1.8241E+01 8.1985E+00 -1.5627E+01 O6 1216 15.999400 -0.847600 1.7059E+01 1.6271E+01 -4.4203E+00 H1 1217 1.008000 0.423800 1.7311E+01 1.7034E+01 -3.8263E+00 H2 1218 1.008000 0.423800 1.6134E+01 1.6414E+01 -4.7722E+00 O6 1219 15.999400 -0.847600 1.5246E+01 1.4137E+01 -1.0664E+01 H1 1220 1.008000 0.423800 1.5439E+01 1.5109E+01 -1.0800E+01 H2 1221 1.008000 0.423800 1.6101E+01 1.3649E+01 -1.0486E+01 O6 1222 15.999400 -0.847600 3.8901E+00 7.0641E+00 -1.3434E+00 H1 1223 1.008000 0.423800 3.0736E+00 7.3644E+00 -1.8366E+00 H2 1224 1.008000 0.423800 4.6711E+00 7.6242E+00 -1.6197E+00 O6 1225 15.999400 -0.847600 -9.4279E+00 4.6330E+00 1.2658E+01 H1 1226 1.008000 0.423800 -9.6303E+00 5.5764E+00 1.2920E+01 H2 1227 1.008000 0.423800 -8.6259E+00 4.3117E+00 1.3161E+01 O6 1228 15.999400 -0.847600 6.3829E+00 -8.6740E+00 -1.6896E+01 H1 1229 1.008000 0.423800 5.4266E+00 -8.5662E+00 -1.6625E+01 H2 1230 1.008000 0.423800 6.7296E+00 -9.5480E+00 -1.6556E+01 O6 1231 15.999400 -0.847600 4.0895E-01 1.9446E+01 -5.6084E+00 H1 1232 1.008000 0.423800 6.4363E-01 -1.8861E+01 -5.0437E+00 H2 1233 1.008000 0.423800 1.2092E+00 1.8853E+01 -5.7008E+00 O6 1234 15.999400 -0.847600 7.3967E-02 1.7218E+01 -1.4541E+01 H1 1235 1.008000 0.423800 5.2556E-01 1.6420E+01 -1.4142E+01 H2 1236 1.008000 0.423800 -5.6487E-01 1.7606E+01 -1.3877E+01 O6 1237 15.999400 -0.847600 -7.8195E+00 1.5916E+01 -1.3400E+01 H1 1238 1.008000 0.423800 -7.7938E+00 1.6914E+01 -1.3445E+01 H2 1239 1.008000 0.423800 -7.5275E+00 1.5536E+01 -1.4278E+01 O6 1240 15.999400 -0.847600 -1.1420E+01 -2.9092E+00 -1.7435E+00 H1 1241 1.008000 0.423800 -1.1338E+01 -3.8336E+00 -2.1160E+00 H2 1242 1.008000 0.423800 -1.2288E+01 -2.8224E+00 -1.2543E+00 O6 1243 15.999400 -0.847600 1.4373E+01 1.6361E+01 -1.3612E+00 H1 1244 1.008000 0.423800 1.4644E+01 1.6643E+01 -4.4080E-01 H2 1245 1.008000 0.423800 1.4726E+01 1.5444E+01 -1.5470E+00 O6 1246 15.999400 -0.847600 1.0854E+01 9.3408E+00 -1.8335E+01 H1 1247 1.008000 0.423800 1.0646E+01 8.3897E+00 -1.8565E+01 H2 1248 1.008000 0.423800 1.0100E+01 9.7278E+00 -1.7805E+01 O6 1249 15.999400 -0.847600 -5.9174E+00 -5.2322E+00 1.3523E+01 H1 1250 1.008000 0.423800 -6.5372E+00 -4.5141E+00 1.3206E+01 H2 1251 1.008000 0.423800 -6.4172E+00 -5.8686E+00 1.4110E+01 O6 1252 15.999400 -0.847600 -8.0427E+00 -1.7237E+01 -1.7881E+01 H1 1253 1.008000 0.423800 -7.7820E+00 -1.6450E+01 -1.8440E+01 H2 1254 1.008000 0.423800 -7.5974E+00 -1.7174E+01 -1.6988E+01 O6 1255 15.999400 -0.847600 -6.2577E+00 -2.5757E+00 -1.1665E-01 H1 1256 1.008000 0.423800 -6.9010E+00 -1.8407E+00 9.7409E-02 H2 1257 1.008000 0.423800 -5.4377E+00 -2.1886E+00 -5.3831E-01 O6 1258 15.999400 -0.847600 -1.6063E+00 -9.1118E+00 3.9747E+00 H1 1259 1.008000 0.423800 -2.4934E+00 -9.4526E+00 4.2861E+00 H2 1260 1.008000 0.423800 -9.8986E-01 -9.0236E+00 4.7571E+00 O6 1261 15.999400 -0.847600 -1.0496E+01 1.0572E+01 -1.9387E+01 H1 1262 1.008000 0.423800 -9.5991E+00 1.0213E+01 1.9452E+01 H2 1263 1.008000 0.423800 -1.1211E+01 9.9810E+00 1.9338E+01 O6 1264 15.999400 -0.847600 1.1665E+01 -2.7411E+00 -7.5278E+00 H1 1265 1.008000 0.423800 1.1666E+01 -3.6173E+00 -7.0460E+00 H2 1266 1.008000 0.423800 1.2589E+01 -2.3580E+00 -7.5244E+00 O6 1267 15.999400 -0.847600 -1.3058E+01 1.6824E+01 -1.9416E+01 H1 1268 1.008000 0.423800 -1.3528E+01 1.7479E+01 -1.8824E+01 H2 1269 1.008000 0.423800 -1.2570E+01 1.6157E+01 -1.8853E+01 O6 1270 15.999400 -0.847600 -1.0628E+01 1.8213E+01 -1.6624E+01 H1 1271 1.008000 0.423800 -9.6405E+00 1.8359E+01 -1.6685E+01 H2 1272 1.008000 0.423800 -1.1075E+01 1.8624E+01 -1.7419E+01 O6 1273 15.999400 -0.847600 -1.4265E+01 6.0738E+00 1.9280E+01 H1 1274 1.008000 0.423800 -1.3641E+01 5.6738E+00 -1.9146E+01 H2 1275 1.008000 0.423800 -1.4337E+01 5.4668E+00 1.8489E+01 O6 1276 15.999400 -0.847600 1.5775E+01 1.8387E+00 -1.9269E+01 H1 1277 1.008000 0.423800 1.6343E+01 2.6400E+00 -1.9458E+01 H2 1278 1.008000 0.423800 1.5630E+01 1.7580E+00 -1.8283E+01 O6 1279 15.999400 -0.847600 -1.3803E+01 1.1351E+01 -8.3760E+00 H1 1280 1.008000 0.423800 -1.3783E+01 1.0787E+01 -7.5500E+00 H2 1281 1.008000 0.423800 -1.4149E+01 1.0808E+01 -9.1412E+00 O6 1282 15.999400 -0.847600 -1.3047E+01 -1.6911E+01 -9.7793E+00 H1 1283 1.008000 0.423800 -1.3927E+01 -1.7196E+01 -1.0157E+01 H2 1284 1.008000 0.423800 -1.3077E+01 -1.5935E+01 -9.5618E+00 O6 1285 15.999400 -0.847600 -1.5341E+01 -7.9795E+00 -1.0221E+01 H1 1286 1.008000 0.423800 -1.5760E+01 -8.8201E+00 -1.0564E+01 H2 1287 1.008000 0.423800 -1.6056E+01 -7.3466E+00 -9.9251E+00 O6 1288 15.999400 -0.847600 -1.5561E+01 -1.4385E+00 8.1172E-01 H1 1289 1.008000 0.423800 -1.4759E+01 -1.2888E+00 2.3357E-01 H2 1290 1.008000 0.423800 -1.6029E+01 -5.6807E-01 9.6426E-01 O6 1291 15.999400 -0.847600 1.1106E+00 -1.8642E+01 -1.3168E+01 H1 1292 1.008000 0.423800 9.1827E-01 -1.7747E+01 -1.3571E+01 H2 1293 1.008000 0.423800 2.6564E-01 -1.9031E+01 -1.2801E+01 O6 1294 15.999400 -0.847600 4.2478E+00 -1.7903E+01 1.7937E+01 H1 1295 1.008000 0.423800 3.5631E+00 -1.7495E+01 1.7334E+01 H2 1296 1.008000 0.423800 3.8678E+00 -1.7995E+01 1.8858E+01 O6 1297 15.999400 -0.847600 -5.6694E+00 -1.9081E+01 7.0103E+00 H1 1298 1.008000 0.423800 -4.6718E+00 -1.9035E+01 7.0622E+00 H2 1299 1.008000 0.423800 -6.0495E+00 -1.9126E+01 7.9341E+00 O6 1300 15.999400 -0.847600 2.5055E+00 -6.8580E+00 -1.0614E+01 H1 1301 1.008000 0.423800 1.7885E+00 -6.1647E+00 -1.0541E+01 H2 1302 1.008000 0.423800 2.7100E+00 -7.0250E+00 -1.1579E+01 O6 1303 15.999400 -0.847600 -1.2917E+00 -4.2769E+00 5.5525E+00 H1 1304 1.008000 0.423800 -1.8463E+00 -3.5234E+00 5.9058E+00 H2 1305 1.008000 0.423800 -1.8911E+00 -5.0111E+00 5.2340E+00 O6 1306 15.999400 -0.847600 1.9099E+01 -7.3684E+00 1.5266E+01 H1 1307 1.008000 0.423800 -1.9254E+01 -6.7344E+00 1.5474E+01 H2 1308 1.008000 0.423800 1.8429E+01 -7.3508E+00 1.6009E+01 O6 1309 15.999400 -0.847600 7.5490E+00 1.7259E+01 -1.8690E+01 H1 1310 1.008000 0.423800 7.8273E+00 1.6631E+01 -1.7964E+01 H2 1311 1.008000 0.423800 6.6142E+00 1.7047E+01 -1.8975E+01 O6 1312 15.999400 -0.847600 5.9673E-01 -1.0162E+01 1.5947E+01 H1 1313 1.008000 0.423800 4.0650E-01 -1.1056E+01 1.6353E+01 H2 1314 1.008000 0.423800 1.2066E+00 -9.6461E+00 1.6549E+01 O6 1315 15.999400 -0.847600 1.0046E+01 -6.4292E+00 1.3481E+01 H1 1316 1.008000 0.423800 1.0511E+01 -5.5593E+00 1.3317E+01 H2 1317 1.008000 0.423800 9.5421E+00 -6.6982E+00 1.2660E+01 O6 1318 15.999400 -0.847600 -1.1252E+01 1.1983E+01 7.4007E+00 H1 1319 1.008000 0.423800 -1.0369E+01 1.1844E+01 7.8494E+00 H2 1320 1.008000 0.423800 -1.1120E+01 1.2509E+01 6.5604E+00 O6 1321 15.999400 -0.847600 -6.8716E+00 -2.9802E+00 -1.1429E+01 H1 1322 1.008000 0.423800 -7.3101E+00 -2.6099E+00 -1.0610E+01 H2 1323 1.008000 0.423800 -6.1917E+00 -3.6635E+00 -1.1163E+01 O6 1324 15.999400 -0.847600 -2.9055E+00 8.2343E+00 -4.5334E-01 H1 1325 1.008000 0.423800 -3.2876E+00 8.1143E+00 4.6300E-01 H2 1326 1.008000 0.423800 -1.9313E+00 8.0092E+00 -4.4037E-01 O6 1327 15.999400 -0.847600 -1.0256E+01 -3.1989E+00 1.5602E+01 H1 1328 1.008000 0.423800 -9.9541E+00 -2.4930E+00 1.4961E+01 H2 1329 1.008000 0.423800 -1.1218E+01 -3.4133E+00 1.5433E+01 O6 1330 15.999400 -0.847600 1.1270E+01 -1.2777E+01 1.6234E+01 H1 1331 1.008000 0.423800 1.2209E+01 -1.2875E+01 1.5901E+01 H2 1332 1.008000 0.423800 1.1226E+01 -1.2025E+01 1.6891E+01 O6 1333 15.999400 -0.847600 -2.8679E+00 -1.5945E+01 -1.3984E+01 H1 1334 1.008000 0.423800 -3.2597E+00 -1.6608E+01 -1.3345E+01 H2 1335 1.008000 0.423800 -2.0467E+00 -1.5540E+01 -1.3582E+01 O6 1336 15.999400 -0.847600 -1.0312E+01 -1.7063E+01 -5.6624E+00 H1 1337 1.008000 0.423800 -9.3749E+00 -1.6722E+01 -5.5841E+00 H2 1338 1.008000 0.423800 -1.0951E+01 -1.6352E+01 -5.3714E+00 O6 1339 15.999400 -0.847600 1.9358E+01 7.9576E+00 2.2311E+00 H1 1340 1.008000 0.423800 1.8504E+01 7.6625E+00 2.6596E+00 H2 1341 1.008000 0.423800 -1.8991E+01 7.8753E+00 2.8890E+00 O6 1342 15.999400 -0.847600 -4.2657E+00 9.6930E+00 -1.1757E+01 H1 1343 1.008000 0.423800 -4.9676E+00 1.0103E+01 -1.2340E+01 H2 1344 1.008000 0.423800 -3.3644E+00 1.0021E+01 -1.2040E+01 O6 1345 15.999400 -0.847600 1.7065E+01 -1.5721E+01 9.9054E+00 H1 1346 1.008000 0.423800 1.7450E+01 -1.6631E+01 1.0057E+01 H2 1347 1.008000 0.423800 1.6945E+01 -1.5259E+01 1.0785E+01 O6 1348 15.999400 -0.847600 1.1780E+01 -1.2690E+01 -1.6283E+01 H1 1349 1.008000 0.423800 1.0845E+01 -1.2554E+01 -1.6611E+01 H2 1350 1.008000 0.423800 1.2052E+01 -1.1911E+01 -1.5719E+01 O6 1351 15.999400 -0.847600 1.2886E+01 1.2017E+01 -1.0306E+01 H1 1352 1.008000 0.423800 1.3310E+01 1.2595E+01 -1.1003E+01 H2 1353 1.008000 0.423800 1.3573E+01 1.1752E+01 -9.6296E+00 O6 1354 15.999400 -0.847600 -2.7332E+00 -8.5121E-01 3.2853E+00 H1 1355 1.008000 0.423800 -2.8922E+00 5.3479E-02 2.8900E+00 H2 1356 1.008000 0.423800 -2.8911E+00 -8.1611E-01 4.2721E+00 O6 1357 15.999400 -0.847600 3.1171E+00 5.8569E+00 1.7998E+01 H1 1358 1.008000 0.423800 3.6704E+00 6.5812E+00 1.7586E+01 H2 1359 1.008000 0.423800 3.4659E+00 4.9656E+00 1.7708E+01 O6 1360 15.999400 -0.847600 -1.4915E+01 2.3498E+00 -1.1480E+01 H1 1361 1.008000 0.423800 -1.4197E+01 1.9159E+00 -1.0936E+01 H2 1362 1.008000 0.423800 -1.5720E+01 1.7573E+00 -1.1503E+01 O6 1363 15.999400 -0.847600 -6.3345E+00 -7.3323E+00 1.2254E+00 H1 1364 1.008000 0.423800 -6.2899E+00 -6.4285E+00 1.6509E+00 H2 1365 1.008000 0.423800 -7.0499E+00 -7.3368E+00 5.2663E-01 O6 1366 15.999400 -0.847600 3.3238E+00 1.8260E+01 1.3476E+01 H1 1367 1.008000 0.423800 4.2802E+00 1.8348E+01 1.3197E+01 H2 1368 1.008000 0.423800 3.2000E+00 1.7405E+01 1.3978E+01 O6 1369 15.999400 -0.847600 -7.2279E+00 -4.7885E+00 -1.4470E+00 H1 1370 1.008000 0.423800 -6.8253E+00 -3.9792E+00 -1.0192E+00 H2 1371 1.008000 0.423800 -8.0895E+00 -5.0124E+00 -9.9145E-01 O6 1372 15.999400 -0.847600 6.8026E+00 -1.1685E+01 2.6590E+00 H1 1373 1.008000 0.423800 6.0060E+00 -1.1513E+01 2.0792E+00 H2 1374 1.008000 0.423800 6.7601E+00 -1.2618E+01 3.0160E+00 O6 1375 15.999400 -0.847600 1.9497E+01 1.7479E+01 1.2786E+01 H1 1376 1.008000 0.423800 1.9257E+01 1.7438E+01 1.3756E+01 H2 1377 1.008000 0.423800 1.8717E+01 1.7180E+01 1.2237E+01 O6 1378 15.999400 -0.847600 1.1259E+01 2.2369E+00 1.7762E+01 H1 1379 1.008000 0.423800 1.1930E+01 1.7122E+00 1.8286E+01 H2 1380 1.008000 0.423800 1.0502E+01 1.6398E+00 1.7497E+01 O6 1381 15.999400 -0.847600 -1.4690E+01 2.2912E-01 -3.0848E+00 H1 1382 1.008000 0.423800 -1.5569E+01 2.3762E-01 -2.6090E+00 H2 1383 1.008000 0.423800 -1.4282E+01 1.1417E+00 -3.0485E+00 O6 1384 15.999400 -0.847600 1.7032E+01 1.1846E+01 1.0849E+01 H1 1385 1.008000 0.423800 1.6345E+01 1.1120E+01 1.0872E+01 H2 1386 1.008000 0.423800 1.6958E+01 1.2349E+01 9.9877E+00 O6 1387 15.999400 -0.847600 -1.2422E+01 -1.3927E+01 -9.5119E+00 H1 1388 1.008000 0.423800 -1.1897E+01 -1.3509E+01 -1.0254E+01 H2 1389 1.008000 0.423800 -1.3399E+01 -1.3794E+01 -9.6796E+00 O6 1390 15.999400 -0.847600 -1.2796E+00 -1.6572E+01 7.4235E-01 H1 1391 1.008000 0.423800 -1.8821E+00 -1.5996E+01 1.8975E-01 H2 1392 1.008000 0.423800 -8.3742E-01 -1.6014E+01 1.4447E+00 O6 1393 15.999400 -0.847600 -1.9307E+01 1.2083E+01 -5.7259E+00 H1 1394 1.008000 0.423800 1.8942E+01 1.1564E+01 -5.6271E+00 H2 1395 1.008000 0.423800 -1.9404E+01 1.2970E+01 -5.2733E+00 O6 1396 15.999400 -0.847600 -1.0064E+01 1.6407E+01 5.3192E+00 H1 1397 1.008000 0.423800 -9.6877E+00 1.7296E+01 5.5801E+00 H2 1398 1.008000 0.423800 -9.5308E+00 1.6028E+01 4.5632E+00 O6 1399 15.999400 -0.847600 4.2558E+00 -1.4608E+01 -9.2202E+00 H1 1400 1.008000 0.423800 4.5228E+00 -1.5521E+01 -9.5286E+00 H2 1401 1.008000 0.423800 5.0747E+00 -1.4054E+01 -9.0715E+00 O6 1402 15.999400 -0.847600 3.8304E+00 1.1020E+00 5.9389E-01 H1 1403 1.008000 0.423800 3.2784E+00 5.9649E-01 1.2570E+00 H2 1404 1.008000 0.423800 3.5574E+00 8.4373E-01 -3.3279E-01 O6 1405 15.999400 -0.847600 1.0304E+01 7.6073E+00 -5.4137E+00 H1 1406 1.008000 0.423800 9.3702E+00 7.4126E+00 -5.1134E+00 H2 1407 1.008000 0.423800 1.0951E+01 7.2741E+00 -4.7278E+00 O6 1408 15.999400 -0.847600 -6.7553E+00 1.5146E+01 6.9651E+00 H1 1409 1.008000 0.423800 -6.4983E+00 1.5175E+01 7.9310E+00 H2 1410 1.008000 0.423800 -6.8037E+00 1.6077E+01 6.6042E+00 O6 1411 15.999400 -0.847600 -1.2841E+01 1.1917E+01 -3.3152E+00 H1 1412 1.008000 0.423800 -1.2501E+01 1.0979E+01 -3.3891E+00 H2 1413 1.008000 0.423800 -1.2730E+01 1.2238E+01 -2.3747E+00 O6 1414 15.999400 -0.847600 1.9000E+01 -1.0304E+01 -8.9085E+00 H1 1415 1.008000 0.423800 1.8531E+01 -1.0663E+01 -8.1019E+00 H2 1416 1.008000 0.423800 1.8718E+01 -1.0821E+01 -9.7164E+00 O6 1417 15.999400 -0.847600 -7.2535E+00 1.2371E+00 6.8135E+00 H1 1418 1.008000 0.423800 -8.1290E+00 1.2054E+00 7.2957E+00 H2 1419 1.008000 0.423800 -7.0905E+00 3.6057E-01 6.3608E+00 O6 1420 15.999400 -0.847600 -1.6593E+01 1.5884E+01 3.2006E+00 H1 1421 1.008000 0.423800 -1.6105E+01 1.5560E+01 2.3899E+00 H2 1422 1.008000 0.423800 -1.5950E+01 1.5981E+01 3.9600E+00 O6 1423 15.999400 -0.847600 9.4398E+00 1.8757E+01 2.1501E+00 H1 1424 1.008000 0.423800 8.6217E+00 1.8281E+01 1.8272E+00 H2 1425 1.008000 0.423800 1.0157E+01 1.8697E+01 1.4554E+00 O6 1426 15.999400 -0.847600 -1.2585E-01 -9.3292E+00 -2.2318E+00 H1 1427 1.008000 0.423800 7.6205E-01 -8.9426E+00 -1.9823E+00 H2 1428 1.008000 0.423800 -8.3864E-01 -8.9232E+00 -1.6600E+00 O6 1429 15.999400 -0.847600 -1.8591E+00 -1.8425E+01 1.4225E+01 H1 1430 1.008000 0.423800 -1.2515E+00 -1.9009E+01 1.4764E+01 H2 1431 1.008000 0.423800 -1.5402E+00 -1.7479E+01 1.4272E+01 O6 1432 15.999400 -0.847600 -6.5588E+00 1.1909E+00 -1.4657E+01 H1 1433 1.008000 0.423800 -7.0426E+00 1.7981E+00 -1.5288E+01 H2 1434 1.008000 0.423800 -5.6879E+00 9.1441E-01 -1.5064E+01 O6 1435 15.999400 -0.847600 -1.8021E+01 -6.6026E-01 9.2867E+00 H1 1436 1.008000 0.423800 -1.7230E+01 -2.2133E-01 9.7129E+00 H2 1437 1.008000 0.423800 -1.8859E+01 -2.1474E-01 9.6016E+00 O6 1438 15.999400 -0.847600 -4.3579E+00 7.1077E+00 -1.2330E+01 H1 1439 1.008000 0.423800 -4.3314E+00 7.9975E+00 -1.1874E+01 H2 1440 1.008000 0.423800 -4.3511E+00 7.2406E+00 -1.3321E+01 O6 1441 15.999400 -0.847600 -1.0287E+01 1.2527E+01 -4.2915E+00 H1 1442 1.008000 0.423800 -1.1148E+01 1.2326E+01 -3.8237E+00 H2 1443 1.008000 0.423800 -1.0071E+01 1.3498E+01 -4.1883E+00 O6 1444 15.999400 -0.847600 4.0968E+00 3.7465E+00 2.2439E+00 H1 1445 1.008000 0.423800 4.2272E+00 4.4630E+00 1.5585E+00 H2 1446 1.008000 0.423800 4.8881E+00 3.1351E+00 2.2416E+00 O6 1447 15.999400 -0.847600 9.4122E+00 1.6176E+01 -9.4017E+00 H1 1448 1.008000 0.423800 9.8942E+00 1.6774E+01 -8.7611E+00 H2 1449 1.008000 0.423800 9.6998E+00 1.5230E+01 -9.2552E+00 O6 1450 15.999400 -0.847600 1.7971E+01 -1.8053E+01 -1.2837E+00 H1 1451 1.008000 0.423800 1.7868E+01 -1.8885E+01 -7.3800E-01 H2 1452 1.008000 0.423800 1.7096E+01 -1.7570E+01 -1.3230E+00 O6 1453 15.999400 -0.847600 7.0356E+00 2.0142E+00 -7.8135E+00 H1 1454 1.008000 0.423800 7.1790E+00 2.8866E+00 -8.2807E+00 H2 1455 1.008000 0.423800 6.6116E+00 1.3642E+00 -8.4442E+00 O6 1456 15.999400 -0.847600 5.5403E+00 -5.4520E+00 -6.8393E+00 H1 1457 1.008000 0.423800 6.1864E+00 -4.8223E+00 -7.2706E+00 H2 1458 1.008000 0.423800 4.9510E+00 -5.8560E+00 -7.5390E+00 O6 1459 15.999400 -0.847600 1.3879E+01 1.0842E+01 -4.0457E+00 H1 1460 1.008000 0.423800 1.3312E+01 1.1062E+01 -4.8400E+00 H2 1461 1.008000 0.423800 1.3668E+01 1.1475E+01 -3.3007E+00 O6 1462 15.999400 -0.847600 1.6125E+01 1.8451E+01 1.3894E+01 H1 1463 1.008000 0.423800 1.5643E+01 1.9086E+01 1.3291E+01 H2 1464 1.008000 0.423800 1.6434E+01 1.8938E+01 1.4711E+01 O6 1465 15.999400 -0.847600 -1.1021E+01 1.6017E+00 -2.7448E+00 H1 1466 1.008000 0.423800 -1.0851E+01 9.4182E-01 -3.4769E+00 H2 1467 1.008000 0.423800 -1.0167E+01 2.0677E+00 -2.5122E+00 O6 1468 15.999400 -0.847600 3.5050E+00 -9.5797E-02 4.8293E+00 H1 1469 1.008000 0.423800 2.7685E+00 5.7978E-01 4.8630E+00 H2 1470 1.008000 0.423800 4.0447E+00 -4.2611E-02 5.6695E+00 O6 1471 15.999400 -0.847600 1.6130E+01 1.7788E+01 4.5881E+00 H1 1472 1.008000 0.423800 1.5772E+01 1.6968E+01 4.1426E+00 H2 1473 1.008000 0.423800 1.6913E+01 1.7542E+01 5.1591E+00 O6 1474 15.999400 -0.847600 1.5461E+01 -1.8356E+01 1.2436E+01 H1 1475 1.008000 0.423800 1.4964E+01 -1.7836E+01 1.1741E+01 H2 1476 1.008000 0.423800 1.5724E+01 -1.7745E+01 1.3184E+01 O6 1477 15.999400 -0.847600 7.3791E+00 1.1624E+01 -1.3645E+01 H1 1478 1.008000 0.423800 7.3907E+00 1.0693E+01 -1.3281E+01 H2 1479 1.008000 0.423800 7.1060E+00 1.1603E+01 -1.4607E+01 O6 1480 15.999400 -0.847600 -9.1385E-01 -1.0866E+01 -7.5943E+00 H1 1481 1.008000 0.423800 -2.5563E-02 -1.0559E+01 -7.9361E+00 H2 1482 1.008000 0.423800 -1.4330E+00 -1.1281E+01 -8.3414E+00 O6 1483 15.999400 -0.847600 -3.6505E+00 1.5814E+01 -9.4534E+00 H1 1484 1.008000 0.423800 -3.6974E+00 1.4832E+01 -9.2714E+00 H2 1485 1.008000 0.423800 -3.9781E+00 1.6317E+01 -8.6537E+00 O6 1486 15.999400 -0.847600 -1.4498E+01 -1.7571E+01 -1.2300E+01 H1 1487 1.008000 0.423800 -1.4317E+01 -1.7130E+01 -1.3179E+01 H2 1488 1.008000 0.423800 -1.5463E+01 -1.7827E+01 -1.2248E+01 O6 1489 15.999400 -0.847600 1.3979E+01 -6.8654E+00 -8.8449E+00 H1 1490 1.008000 0.423800 1.4403E+01 -7.3104E+00 -8.0561E+00 H2 1491 1.008000 0.423800 1.4670E+01 -6.3398E+00 -9.3420E+00 O6 1492 15.999400 -0.847600 -1.6026E+01 5.6886E+00 9.9210E+00 H1 1493 1.008000 0.423800 -1.5692E+01 5.7530E+00 1.0861E+01 H2 1494 1.008000 0.423800 -1.6375E+01 4.7664E+00 9.7539E+00 O6 1495 15.999400 -0.847600 -1.1263E+01 -1.4386E+01 -1.7429E+01 H1 1496 1.008000 0.423800 -1.0694E+01 -1.4310E+01 -1.8249E+01 H2 1497 1.008000 0.423800 -1.1443E+01 -1.5351E+01 -1.7237E+01 O6 1498 15.999400 -0.847600 1.7232E+01 1.1086E+01 -3.1468E+00 H1 1499 1.008000 0.423800 1.6342E+01 1.1469E+01 -2.9000E+00 H2 1500 1.008000 0.423800 1.7957E+01 1.1618E+01 -2.7097E+00 O6 1501 15.999400 -0.847600 1.8535E+01 1.6246E+01 3.6364E+00 H1 1502 1.008000 0.423800 1.8943E+01 1.5550E+01 4.2278E+00 H2 1503 1.008000 0.423800 1.9240E+01 1.6895E+01 3.3505E+00 O6 1504 15.999400 -0.847600 -3.4188E+00 1.1598E+01 8.6684E+00 H1 1505 1.008000 0.423800 -3.7649E+00 1.2044E+01 7.8431E+00 H2 1506 1.008000 0.423800 -2.8746E+00 1.2249E+01 9.1965E+00 O6 1507 15.999400 -0.847600 -1.5758E+01 -1.9211E+01 -8.7671E+00 H1 1508 1.008000 0.423800 -1.6631E+01 1.9399E+01 -8.7349E+00 H2 1509 1.008000 0.423800 -1.5262E+01 -1.9470E+01 -9.5960E+00 O6 1510 15.999400 -0.847600 -9.6563E+00 8.2071E+00 1.2939E+00 H1 1511 1.008000 0.423800 -1.0037E+01 7.6562E+00 5.5139E-01 H2 1512 1.008000 0.423800 -1.0078E+01 9.1137E+00 1.2868E+00 O6 1513 15.999400 -0.847600 7.7282E+00 -1.2363E+01 8.0397E+00 H1 1514 1.008000 0.423800 6.8883E+00 -1.2033E+01 7.6081E+00 H2 1515 1.008000 0.423800 8.1034E+00 -1.3120E+01 7.5046E+00 O6 1516 15.999400 -0.847600 4.4783E+00 -7.7539E+00 2.3666E+00 H1 1517 1.008000 0.423800 3.4923E+00 -7.6957E+00 2.5230E+00 H2 1518 1.008000 0.423800 4.9482E+00 -7.8699E+00 3.2417E+00 O6 1519 15.999400 -0.847600 1.7368E+01 -4.8908E+00 -1.3757E+01 H1 1520 1.008000 0.423800 1.6873E+01 -4.0840E+00 -1.3433E+01 H2 1521 1.008000 0.423800 1.7267E+01 -5.6318E+00 -1.3093E+01 O6 1522 15.999400 -0.847600 1.7199E+01 1.9390E+01 -1.4942E+01 H1 1523 1.008000 0.423800 1.7727E+01 -1.8926E+01 -1.5277E+01 H2 1524 1.008000 0.423800 1.7780E+01 1.8821E+01 -1.4360E+01 O6 1525 15.999400 -0.847600 -1.1561E+01 -3.4673E+00 1.8274E+01 H1 1526 1.008000 0.423800 -1.0984E+01 -3.2222E+00 1.7496E+01 H2 1527 1.008000 0.423800 -1.1444E+01 -2.7918E+00 1.9002E+01 O6 1528 15.999400 -0.847600 5.3859E+00 1.4254E+01 1.3933E+01 H1 1529 1.008000 0.423800 4.4114E+00 1.4467E+01 1.4005E+01 H2 1530 1.008000 0.423800 5.7445E+00 1.4622E+01 1.3075E+01 O6 1531 15.999400 -0.847600 9.9082E-01 9.5740E+00 6.3763E+00 H1 1532 1.008000 0.423800 6.2347E-02 9.3298E+00 6.0964E+00 H2 1533 1.008000 0.423800 1.1814E+00 9.1824E+00 7.2765E+00 O6 1534 15.999400 -0.847600 -1.2300E+01 -1.5214E+01 -5.3247E+00 H1 1535 1.008000 0.423800 -1.1571E+01 -1.4779E+01 -4.7965E+00 H2 1536 1.008000 0.423800 -1.3100E+01 -1.4614E+01 -5.3461E+00 O6 1537 15.999400 -0.847600 1.6385E+01 -1.4982E+01 1.7591E+00 H1 1538 1.008000 0.423800 1.6071E+01 -1.4922E+01 2.7063E+00 H2 1539 1.008000 0.423800 1.6185E+01 -1.5893E+01 1.3988E+00 O6 1540 15.999400 -0.847600 8.0186E+00 1.8876E+01 8.0830E+00 H1 1541 1.008000 0.423800 8.3778E+00 1.7964E+01 8.2828E+00 H2 1542 1.008000 0.423800 8.7006E+00 -1.9533E+01 8.3300E+00 O6 1543 15.999400 -0.847600 1.2811E+01 1.6923E+01 1.7780E+01 H1 1544 1.008000 0.423800 1.2690E+01 1.6153E+01 1.7155E+01 H2 1545 1.008000 0.423800 1.3253E+01 1.6606E+01 1.8619E+01 O6 1546 15.999400 -0.847600 3.4405E+00 4.2707E+00 -6.0062E+00 H1 1547 1.008000 0.423800 3.3549E+00 3.2775E+00 -5.9271E+00 H2 1548 1.008000 0.423800 4.0773E+00 4.6066E+00 -5.3122E+00 O6 1549 15.999400 -0.847600 -1.4355E+01 1.5439E+01 4.7080E+00 H1 1550 1.008000 0.423800 -1.4696E+01 1.4551E+01 5.0160E+00 H2 1551 1.008000 0.423800 -1.3800E+01 1.5852E+01 5.4309E+00 O6 1552 15.999400 -0.847600 -1.4345E+01 1.4996E+01 -1.1766E+01 H1 1553 1.008000 0.423800 -1.4790E+01 1.4485E+01 -1.2502E+01 H2 1554 1.008000 0.423800 -1.4007E+01 1.4358E+01 -1.1074E+01 O6 1555 15.999400 -0.847600 1.2596E+01 -1.8539E+01 3.3534E-01 H1 1556 1.008000 0.423800 1.2000E+01 -1.7825E+01 7.0312E-01 H2 1557 1.008000 0.423800 1.3197E+01 -1.8146E+01 -3.6127E-01 O6 1558 15.999400 -0.847600 1.3845E+01 -1.7215E+01 6.4478E+00 H1 1559 1.008000 0.423800 1.4792E+01 -1.7310E+01 6.7548E+00 H2 1560 1.008000 0.423800 1.3650E+01 -1.6251E+01 6.2653E+00 O6 1561 15.999400 -0.847600 1.2155E+01 6.6673E+00 -2.4211E+00 H1 1562 1.008000 0.423800 1.2879E+01 7.2546E+00 -2.7825E+00 H2 1563 1.008000 0.423800 1.1968E+01 5.9304E+00 -3.0708E+00 O6 1564 15.999400 -0.847600 -7.8894E+00 1.0167E+01 -9.9778E+00 H1 1565 1.008000 0.423800 -8.6141E+00 9.9393E+00 -9.3273E+00 H2 1566 1.008000 0.423800 -7.0155E+00 1.0227E+01 -9.4955E+00 O6 1567 15.999400 -0.847600 -6.4749E+00 -8.0277E+00 -1.7555E+01 H1 1568 1.008000 0.423800 -7.0630E+00 -7.7933E+00 -1.6780E+01 H2 1569 1.008000 0.423800 -6.1180E+00 -8.9539E+00 -1.7433E+01 O6 1570 15.999400 -0.847600 -1.1346E+01 -4.8091E+00 -6.6595E+00 H1 1571 1.008000 0.423800 -1.1466E+01 -4.1796E+00 -5.8919E+00 H2 1572 1.008000 0.423800 -1.1905E+01 -5.6247E+00 -6.5128E+00 O6 1573 15.999400 -0.847600 -1.5562E+01 -2.3354E+00 -1.8780E+01 H1 1574 1.008000 0.423800 -1.5890E+01 -3.2539E+00 -1.8560E+01 H2 1575 1.008000 0.423800 -1.4686E+01 -2.1765E+00 -1.8325E+01 O6 1576 15.999400 -0.847600 3.7552E+00 -1.4165E+01 1.8151E+01 H1 1577 1.008000 0.423800 4.2032E+00 -1.3272E+01 1.8120E+01 H2 1578 1.008000 0.423800 4.3909E+00 -1.4868E+01 1.7831E+01 O6 1579 15.999400 -0.847600 1.9277E+01 -5.6117E+00 4.4987E+00 H1 1580 1.008000 0.423800 -1.9390E+01 -5.2398E+00 5.3212E+00 H2 1581 1.008000 0.423800 1.8329E+01 -5.2971E+00 4.4473E+00 O6 1582 15.999400 -0.847600 -1.5780E+01 -6.5701E+00 6.0483E+00 H1 1583 1.008000 0.423800 -1.4921E+01 -6.9088E+00 5.6639E+00 H2 1584 1.008000 0.423800 -1.6444E+01 -7.3167E+00 6.0896E+00 O6 1585 15.999400 -0.847600 -1.2132E+00 -1.8163E+01 -1.1351E+01 H1 1586 1.008000 0.423800 -2.1208E+00 -1.7879E+01 -1.1041E+01 H2 1587 1.008000 0.423800 -5.2024E-01 -1.7572E+01 -1.0937E+01 O6 1588 15.999400 -0.847600 1.7920E+01 7.4074E+00 6.9246E+00 H1 1589 1.008000 0.423800 1.7598E+01 8.1081E+00 7.5613E+00 H2 1590 1.008000 0.423800 1.8798E+01 7.6880E+00 6.5364E+00 O6 1591 15.999400 -0.847600 -1.6856E+00 -1.3091E+01 -5.9266E+00 H1 1592 1.008000 0.423800 -2.1965E+00 -1.3609E+01 -6.6127E+00 H2 1593 1.008000 0.423800 -1.4232E+00 -1.2204E+01 -6.3060E+00 O6 1594 15.999400 -0.847600 2.4051E-01 1.4824E+01 1.6522E+01 H1 1595 1.008000 0.423800 5.6128E-01 1.5187E+01 1.5647E+01 H2 1596 1.008000 0.423800 1.9040E-01 1.3827E+01 1.6470E+01 O6 1597 15.999400 -0.847600 1.5893E+01 -1.5892E+00 5.3594E+00 H1 1598 1.008000 0.423800 1.6203E+01 -8.2866E-01 4.7890E+00 H2 1599 1.008000 0.423800 1.6655E+01 -1.9211E+00 5.9155E+00 O6 1600 15.999400 -0.847600 1.3626E+01 -1.3943E+00 -1.5544E+01 H1 1601 1.008000 0.423800 1.3941E+01 -2.2646E+00 -1.5922E+01 H2 1602 1.008000 0.423800 1.2703E+01 -1.5059E+00 -1.5176E+01 O6 1603 15.999400 -0.847600 -1.9486E+01 -5.8867E+00 -4.0194E+00 H1 1604 1.008000 0.423800 1.9312E+01 -6.3351E+00 -3.1774E+00 H2 1605 1.008000 0.423800 -1.8506E+01 -5.6942E+00 -3.9635E+00 O6 1606 15.999400 -0.847600 -3.3804E-01 8.8442E+00 1.1080E+01 H1 1607 1.008000 0.423800 -1.5539E-01 9.8244E+00 1.1003E+01 H2 1608 1.008000 0.423800 -2.2282E-01 8.4126E+00 1.0185E+01 O6 1609 15.999400 -0.847600 -1.0469E+01 4.4849E+00 8.3328E+00 H1 1610 1.008000 0.423800 -1.0184E+01 4.6191E+00 7.3837E+00 H2 1611 1.008000 0.423800 -1.1403E+01 4.8217E+00 8.4510E+00 O6 1612 15.999400 -0.847600 8.2581E-01 -9.8773E+00 -4.8375E+00 H1 1613 1.008000 0.423800 6.3403E-01 -9.6900E+00 -3.8741E+00 H2 1614 1.008000 0.423800 -3.3596E-02 -1.0035E+01 -5.3239E+00 O6 1615 15.999400 -0.847600 3.1949E+00 1.8091E+01 1.7829E+01 H1 1616 1.008000 0.423800 3.9564E+00 1.7612E+01 1.7392E+01 H2 1617 1.008000 0.423800 2.7299E+00 1.8663E+01 1.7153E+01 O6 1618 15.999400 -0.847600 1.0492E+01 1.6170E+00 -2.5678E+00 H1 1619 1.008000 0.423800 1.0526E+01 2.1227E+00 -3.4299E+00 H2 1620 1.008000 0.423800 9.5438E+00 1.3770E+00 -2.3592E+00 O6 1621 15.999400 -0.847600 -1.4072E+01 1.9123E+01 -1.1249E+01 H1 1622 1.008000 0.423800 -1.4302E+01 -1.9111E+01 -1.1699E+01 H2 1623 1.008000 0.423800 -1.4725E+01 1.8419E+01 -1.1526E+01 O6 1624 15.999400 -0.847600 -4.0728E+00 1.2037E+01 -1.5658E+01 H1 1625 1.008000 0.423800 -4.6985E+00 1.1873E+01 -1.4895E+01 H2 1626 1.008000 0.423800 -4.2230E+00 1.2957E+01 -1.6020E+01 O6 1627 15.999400 -0.847600 7.3138E+00 2.6913E+00 1.2472E+01 H1 1628 1.008000 0.423800 6.8896E+00 2.9413E+00 1.3342E+01 H2 1629 1.008000 0.423800 8.2643E+00 3.0021E+00 1.2463E+01 O6 1630 15.999400 -0.847600 -5.0196E+00 -7.7072E+00 -1.4536E+01 H1 1631 1.008000 0.423800 -4.9345E+00 -8.6735E+00 -1.4778E+01 H2 1632 1.008000 0.423800 -4.1244E+00 -7.3507E+00 -1.4268E+01 O6 1633 15.999400 -0.847600 -4.5202E+00 3.8375E+00 -1.7560E+01 H1 1634 1.008000 0.423800 -4.8972E+00 4.6229E+00 -1.8051E+01 H2 1635 1.008000 0.423800 -4.1190E+00 3.1966E+00 -1.8215E+01 O6 1636 15.999400 -0.847600 -1.1976E+01 -1.3035E+01 -1.5314E+01 H1 1637 1.008000 0.423800 -1.1470E+01 -1.3495E+01 -1.6044E+01 H2 1638 1.008000 0.423800 -1.1610E+01 -1.3316E+01 -1.4427E+01 O6 1639 15.999400 -0.847600 2.2381E+00 -1.5833E+01 3.8118E+00 H1 1640 1.008000 0.423800 1.4516E+00 -1.5387E+01 3.3845E+00 H2 1641 1.008000 0.423800 2.5891E+00 -1.6544E+01 3.2030E+00 O6 1642 15.999400 -0.847600 3.4062E-01 -2.3218E+00 -1.3277E+01 H1 1643 1.008000 0.423800 2.1130E-01 -1.3415E+00 -1.3427E+01 H2 1644 1.008000 0.423800 1.3059E+00 -2.5529E+00 -1.3399E+01 O6 1645 15.999400 -0.847600 1.3566E+01 1.4097E+01 -1.2786E+01 H1 1646 1.008000 0.423800 1.4118E+01 1.3964E+01 -1.1962E+01 H2 1647 1.008000 0.423800 1.3042E+01 1.4944E+01 -1.2702E+01 O6 1648 15.999400 -0.847600 -1.2634E+01 -5.7681E+00 -1.7249E+01 H1 1649 1.008000 0.423800 -1.2366E+01 -5.2886E+00 -1.6413E+01 H2 1650 1.008000 0.423800 -1.2078E+01 -5.4432E+00 -1.8013E+01 O6 1651 15.999400 -0.847600 -4.1525E+00 4.8071E+00 1.4716E+01 H1 1652 1.008000 0.423800 -4.1455E+00 4.2361E+00 1.5537E+01 H2 1653 1.008000 0.423800 -3.5518E+00 5.5948E+00 1.4853E+01 O6 1654 15.999400 -0.847600 -1.5914E+01 -8.8041E+00 8.4018E+00 H1 1655 1.008000 0.423800 -1.5325E+01 -8.9446E+00 7.6060E+00 H2 1656 1.008000 0.423800 -1.5395E+01 -8.3466E+00 9.1239E+00 O6 1657 15.999400 -0.847600 -8.3930E+00 3.7049E+00 -1.1762E+01 H1 1658 1.008000 0.423800 -8.6735E+00 3.3015E+00 -1.2633E+01 H2 1659 1.008000 0.423800 -8.0642E+00 2.9842E+00 -1.1152E+01 O6 1660 15.999400 -0.847600 -1.0431E+01 -1.0852E+01 6.7002E+00 H1 1661 1.008000 0.423800 -1.0848E+01 -9.9597E+00 6.5290E+00 H2 1662 1.008000 0.423800 -9.4507E+00 -1.0804E+01 6.5100E+00 O6 1663 15.999400 -0.847600 -3.9094E+00 1.3270E+01 -8.7033E+00 H1 1664 1.008000 0.423800 -3.9292E+00 1.3630E+01 -7.7704E+00 H2 1665 1.008000 0.423800 -4.2659E+00 1.2336E+01 -8.7078E+00 O6 1666 15.999400 -0.847600 -1.9488E+01 1.0022E+01 1.5975E+01 H1 1667 1.008000 0.423800 1.9531E+01 9.6215E+00 1.5062E+01 H2 1668 1.008000 0.423800 1.9259E+01 1.0959E+01 1.5959E+01 O6 1669 15.999400 -0.847600 -1.3176E+01 1.9533E+01 5.5285E+00 H1 1670 1.008000 0.423800 -1.3928E+01 -1.9229E+01 6.0959E+00 H2 1671 1.008000 0.423800 -1.2908E+01 1.8620E+01 5.8356E+00 O6 1672 15.999400 -0.847600 4.2474E+00 -9.3786E-01 1.3069E+01 H1 1673 1.008000 0.423800 3.8446E+00 -1.8531E+00 1.3054E+01 H2 1674 1.008000 0.423800 3.6068E+00 -2.9864E-01 1.3495E+01 O6 1675 15.999400 -0.847600 6.0100E+00 4.3477E-01 1.4602E+01 H1 1676 1.008000 0.423800 5.3268E+00 1.1375E+00 1.4801E+01 H2 1677 1.008000 0.423800 5.5789E+00 -3.1748E-01 1.4104E+01 O6 1678 15.999400 -0.847600 1.1765E+01 1.1371E+01 -1.4946E+01 H1 1679 1.008000 0.423800 1.2257E+01 1.2141E+01 -1.4539E+01 H2 1680 1.008000 0.423800 1.2326E+01 1.0957E+01 -1.5662E+01 O6 1681 15.999400 -0.847600 -3.0804E+00 -1.8672E+01 4.1475E+00 H1 1682 1.008000 0.423800 -2.7411E+00 -1.8738E+01 3.2092E+00 H2 1683 1.008000 0.423800 -2.3430E+00 -1.8362E+01 4.7475E+00 O6 1684 15.999400 -0.847600 -1.8769E+01 -2.8116E+00 -9.8220E+00 H1 1685 1.008000 0.423800 -1.8153E+01 -2.0781E+00 -9.5358E+00 H2 1686 1.008000 0.423800 -1.8238E+01 -3.5522E+00 -1.0233E+01 O6 1687 15.999400 -0.847600 3.4385E+00 9.6406E+00 4.9993E+00 H1 1688 1.008000 0.423800 4.2703E+00 1.0014E+01 5.4100E+00 H2 1689 1.008000 0.423800 2.6921E+00 9.6803E+00 5.6636E+00 O6 1690 15.999400 -0.847600 7.0053E+00 1.5237E+01 -1.4631E+01 H1 1691 1.008000 0.423800 7.3210E+00 1.5195E+01 -1.3683E+01 H2 1692 1.008000 0.423800 6.1742E+00 1.4690E+01 -1.4730E+01 O6 1693 15.999400 -0.847600 1.5972E+01 -1.0334E+01 9.7335E-02 H1 1694 1.008000 0.423800 1.5521E+01 -1.1141E+01 4.7921E-01 H2 1695 1.008000 0.423800 1.6716E+01 -1.0622E+01 -5.0453E-01 O6 1696 15.999400 -0.847600 1.2789E+01 1.4981E+01 -8.6488E+00 H1 1697 1.008000 0.423800 1.2554E+01 1.5809E+01 -9.1589E+00 H2 1698 1.008000 0.423800 1.3489E+01 1.4469E+01 -9.1472E+00 O6 1699 15.999400 -0.847600 -1.0996E+01 1.4507E+01 -1.8039E+01 H1 1700 1.008000 0.423800 -1.0026E+01 1.4747E+01 -1.8093E+01 H2 1701 1.008000 0.423800 -1.1221E+01 1.4241E+01 -1.7101E+01 O6 1702 15.999400 -0.847600 6.2993E-01 1.3858E+01 -9.9864E+00 H1 1703 1.008000 0.423800 1.3416E+00 1.3155E+01 -9.9772E+00 H2 1704 1.008000 0.423800 6.5980E-01 1.4374E+01 -9.1302E+00 O6 1705 15.999400 -0.847600 1.6900E+01 -4.2042E+00 1.5038E+01 H1 1706 1.008000 0.423800 1.6789E+01 -3.2173E+00 1.5156E+01 H2 1707 1.008000 0.423800 1.6501E+01 -4.6803E+00 1.5822E+01 O6 1708 15.999400 -0.847600 -1.9488E+01 6.8014E+00 1.1217E+01 H1 1709 1.008000 0.423800 1.8909E+01 6.2650E+00 1.1688E+01 H2 1710 1.008000 0.423800 -1.8617E+01 6.7069E+00 1.1699E+01 O6 1711 15.999400 -0.847600 1.8876E+01 1.3070E+01 8.6927E+00 H1 1712 1.008000 0.423800 1.9488E+01 1.3808E+01 8.9774E+00 H2 1713 1.008000 0.423800 1.9418E+01 1.2274E+01 8.4228E+00 O6 1714 15.999400 -0.847600 -1.6867E+01 -1.2351E+01 -3.2838E-02 H1 1715 1.008000 0.423800 -1.7303E+01 -1.3003E+01 -6.5384E-01 H2 1716 1.008000 0.423800 -1.7474E+01 -1.1570E+01 1.0946E-01 O6 1717 15.999400 -0.847600 1.4907E+01 -3.4484E+00 -1.6777E+01 H1 1718 1.008000 0.423800 1.5097E+01 -3.4594E+00 -1.7758E+01 H2 1719 1.008000 0.423800 1.5358E+01 -4.2269E+00 -1.6341E+01 O6 1720 15.999400 -0.847600 -1.2524E+01 1.4711E+01 2.6098E+00 H1 1721 1.008000 0.423800 -1.3168E+01 1.4984E+01 3.3243E+00 H2 1722 1.008000 0.423800 -1.2364E+01 1.3725E+01 2.6653E+00 O6 1723 15.999400 -0.847600 1.6970E+01 1.8601E+01 -1.9529E+01 H1 1724 1.008000 0.423800 1.7893E+01 1.8790E+01 -1.9191E+01 H2 1725 1.008000 0.423800 1.7027E+01 1.8047E+01 1.8738E+01 O6 1726 15.999400 -0.847600 -6.4350E+00 -4.7218E-02 9.8728E+00 H1 1727 1.008000 0.423800 -6.0627E+00 -6.8997E-01 1.0542E+01 H2 1728 1.008000 0.423800 -5.8106E+00 7.2725E-01 9.7713E+00 O6 1729 15.999400 -0.847600 7.0777E+00 1.1525E+01 -1.6276E+01 H1 1730 1.008000 0.423800 7.9179E+00 1.1493E+01 -1.6817E+01 H2 1731 1.008000 0.423800 6.4051E+00 1.2103E+01 -1.6739E+01 O6 1732 15.999400 -0.847600 -2.6678E+00 6.7945E+00 -1.6935E+01 H1 1733 1.008000 0.423800 -2.5780E+00 5.8885E+00 -1.7349E+01 H2 1734 1.008000 0.423800 -2.4335E+00 7.4939E+00 -1.7610E+01 O6 1735 15.999400 -0.847600 -1.5900E+01 9.6816E+00 -1.3522E-01 H1 1736 1.008000 0.423800 -1.6551E+01 9.8434E+00 -8.7735E-01 H2 1737 1.008000 0.423800 -1.5556E+01 1.0557E+01 2.0341E-01 O6 1738 15.999400 -0.847600 -8.2264E+00 1.9143E+01 -1.7252E+01 H1 1739 1.008000 0.423800 -8.1936E+00 -1.8964E+01 -1.7386E+01 H2 1740 1.008000 0.423800 -7.3789E+00 1.8733E+01 -1.7590E+01 O6 1741 15.999400 -0.847600 -1.8529E+00 -9.8301E+00 -1.3218E+01 H1 1742 1.008000 0.423800 -2.7869E+00 -1.0025E+01 -1.2919E+01 H2 1743 1.008000 0.423800 -1.7354E+00 -8.8425E+00 -1.3323E+01 O6 1744 15.999400 -0.847600 -1.3635E+01 -1.3280E+01 8.5560E+00 H1 1745 1.008000 0.423800 -1.4168E+01 -1.4095E+01 8.7819E+00 H2 1746 1.008000 0.423800 -1.3344E+01 -1.2827E+01 9.3991E+00 O6 1747 15.999400 -0.847600 1.0247E+01 7.0855E+00 1.5670E+01 H1 1748 1.008000 0.423800 1.0523E+01 6.2380E+00 1.6124E+01 H2 1749 1.008000 0.423800 1.0066E+01 6.9029E+00 1.4704E+01 O6 1750 15.999400 -0.847600 1.4420E+00 4.8298E+00 1.2987E+01 H1 1751 1.008000 0.423800 1.0137E+00 4.8746E+00 1.3889E+01 H2 1752 1.008000 0.423800 1.1334E+00 4.0057E+00 1.2512E+01 O6 1753 15.999400 -0.847600 -1.9509E+01 -2.6152E+00 -1.7189E+01 H1 1754 1.008000 0.423800 -1.8627E+01 -2.8160E+00 -1.6763E+01 H2 1755 1.008000 0.423800 1.9331E+01 -3.3689E+00 -1.7794E+01 O6 1756 15.999400 -0.847600 -7.4441E+00 1.4525E+01 -9.6481E+00 H1 1757 1.008000 0.423800 -7.9773E+00 1.5369E+01 -9.6950E+00 H2 1758 1.008000 0.423800 -6.7159E+00 1.4552E+01 -1.0333E+01 O6 1759 15.999400 -0.847600 -2.5730E+00 -1.8839E+01 1.2998E+00 H1 1760 1.008000 0.423800 -2.1777E+00 -1.7976E+01 9.8469E-01 H2 1761 1.008000 0.423800 -2.2490E+00 1.9511E+01 7.1901E-01 O6 1762 15.999400 -0.847600 -1.8869E+01 1.8235E+00 1.5154E+01 H1 1763 1.008000 0.423800 -1.9371E+01 1.7791E+00 1.6018E+01 H2 1764 1.008000 0.423800 -1.8947E+01 2.7438E+00 1.4770E+01 O6 1765 15.999400 -0.847600 -2.6940E+00 7.2947E+00 1.5408E+01 H1 1766 1.008000 0.423800 -1.9903E+00 7.3012E+00 1.6119E+01 H2 1767 1.008000 0.423800 -2.3961E+00 7.8597E+00 1.4639E+01 O6 1768 15.999400 -0.847600 1.4025E+01 1.3009E+01 1.4946E+01 H1 1769 1.008000 0.423800 1.4596E+01 1.3691E+01 1.4489E+01 H2 1770 1.008000 0.423800 1.4564E+01 1.2536E+01 1.5643E+01 O6 1771 15.999400 -0.847600 3.0275E+00 -1.1757E+01 7.6440E+00 H1 1772 1.008000 0.423800 3.0840E+00 -1.0774E+01 7.4668E+00 H2 1773 1.008000 0.423800 2.1203E+00 -1.2090E+01 7.3872E+00 O6 1774 15.999400 -0.847600 -5.8056E+00 1.3668E+01 1.7046E+01 H1 1775 1.008000 0.423800 -6.1501E+00 1.2742E+01 1.7200E+01 H2 1776 1.008000 0.423800 -5.5860E+00 1.3785E+01 1.6078E+01 O6 1777 15.999400 -0.847600 -1.3564E+01 -7.0076E+00 -6.6451E+00 H1 1778 1.008000 0.423800 -1.3569E+01 -7.7272E+00 -7.3394E+00 H2 1779 1.008000 0.423800 -1.4325E+01 -6.3800E+00 -6.8091E+00 O6 1780 15.999400 -0.847600 -2.3621E+00 9.8999E+00 -4.3123E+00 H1 1781 1.008000 0.423800 -2.3552E+00 1.0625E+01 -5.0012E+00 H2 1782 1.008000 0.423800 -1.9104E+00 1.0225E+01 -3.4816E+00 O6 1783 15.999400 -0.847600 2.6290E+00 -1.9252E+01 1.5551E+01 H1 1784 1.008000 0.423800 2.6167E+00 -1.8290E+01 1.5278E+01 H2 1785 1.008000 0.423800 2.9405E+00 1.9285E+01 1.4784E+01 O6 1786 15.999400 -0.847600 -1.4607E+01 1.5657E+01 -1.3125E+00 H1 1787 1.008000 0.423800 -1.5590E+01 1.5737E+01 -1.4774E+00 H2 1788 1.008000 0.423800 -1.4219E+01 1.6565E+01 -1.1601E+00 O6 1789 15.999400 -0.847600 7.4194E+00 -1.4814E+01 -1.7159E+01 H1 1790 1.008000 0.423800 6.4770E+00 -1.4756E+01 -1.6830E+01 H2 1791 1.008000 0.423800 7.4880E+00 -1.4368E+01 -1.8052E+01 O6 1792 15.999400 -0.847600 -1.1775E+01 1.1139E+01 -1.1741E+01 H1 1793 1.008000 0.423800 -1.2391E+01 1.1912E+01 -1.1890E+01 H2 1794 1.008000 0.423800 -1.0830E+01 1.1432E+01 -1.1888E+01 O6 1795 15.999400 -0.847600 1.5662E+01 -4.7457E+00 -1.0086E+01 H1 1796 1.008000 0.423800 1.6285E+01 -4.0508E+00 -9.7274E+00 H2 1797 1.008000 0.423800 1.5006E+01 -4.3167E+00 -1.0708E+01 O6 1798 15.999400 -0.847600 -1.4693E+00 -3.6271E+00 9.4290E+00 H1 1799 1.008000 0.423800 -6.3536E-01 -3.1068E+00 9.2451E+00 H2 1800 1.008000 0.423800 -1.2269E+00 -4.5435E+00 9.7475E+00 O6 1801 15.999400 -0.847600 -4.8943E-01 -1.5599E+01 -9.1871E+00 H1 1802 1.008000 0.423800 1.8402E-01 -1.6324E+01 -9.3303E+00 H2 1803 1.008000 0.423800 -1.8367E-02 -1.4747E+01 -8.9562E+00 O6 1804 15.999400 -0.847600 -4.1652E+00 -1.5377E+01 1.5787E+01 H1 1805 1.008000 0.423800 -4.0057E+00 -1.5661E+01 1.4841E+01 H2 1806 1.008000 0.423800 -3.2909E+00 -1.5317E+01 1.6268E+01 O6 1807 15.999400 -0.847600 -6.1867E+00 -9.2930E+00 3.1695E+00 H1 1808 1.008000 0.423800 -6.1630E+00 -8.6761E+00 2.3828E+00 H2 1809 1.008000 0.423800 -6.6798E+00 -1.0128E+01 2.9238E+00 O6 1810 15.999400 -0.847600 -1.4948E+00 1.3273E+01 8.4539E-02 H1 1811 1.008000 0.423800 -5.0653E-01 1.3214E+01 2.2587E-01 H2 1812 1.008000 0.423800 -1.8805E+00 1.2351E+01 4.1842E-02 O6 1813 15.999400 -0.847600 -1.6920E+01 -3.8434E+00 6.5373E+00 H1 1814 1.008000 0.423800 -1.7811E+01 -4.1340E+00 6.8840E+00 H2 1815 1.008000 0.423800 -1.6357E+01 -4.6482E+00 6.3497E+00 O6 1816 15.999400 -0.847600 1.4282E+00 4.9474E+00 -9.4635E-01 H1 1817 1.008000 0.423800 2.3551E+00 4.8837E+00 -1.3163E+00 H2 1818 1.008000 0.423800 1.3992E+00 4.5172E+00 -4.4108E-02 O6 1819 15.999400 -0.847600 5.0989E+00 1.4200E+00 -1.4890E+01 H1 1820 1.008000 0.423800 4.3935E+00 1.5232E+00 -1.5591E+01 H2 1821 1.008000 0.423800 4.6658E+00 1.2757E+00 -1.4000E+01 O6 1822 15.999400 -0.847600 1.0574E+01 -9.8368E-01 -9.4235E+00 H1 1823 1.008000 0.423800 1.1358E+01 -1.0589E+00 -1.0040E+01 H2 1824 1.008000 0.423800 1.0742E+01 -1.5300E+00 -8.6029E+00 O6 1825 15.999400 -0.847600 5.8477E+00 9.3443E+00 1.1523E+01 H1 1826 1.008000 0.423800 6.6592E+00 8.9715E+00 1.1974E+01 H2 1827 1.008000 0.423800 5.0264E+00 8.9691E+00 1.1953E+01 O6 1828 15.999400 -0.847600 7.4827E-01 1.3427E+00 -6.5443E-01 H1 1829 1.008000 0.423800 5.1738E-03 1.4173E+00 -1.3195E+00 H2 1830 1.008000 0.423800 1.6168E+00 1.2286E+00 -1.1366E+00 O6 1831 15.999400 -0.847600 -1.6998E+01 8.9744E+00 -1.7268E+01 H1 1832 1.008000 0.423800 -1.7478E+01 8.9328E+00 -1.8144E+01 H2 1833 1.008000 0.423800 -1.6876E+01 9.9301E+00 -1.7000E+01 O6 1834 15.999400 -0.847600 1.6036E+00 1.3121E+01 4.6112E+00 H1 1835 1.008000 0.423800 1.6974E+00 1.2166E+01 4.3324E+00 H2 1836 1.008000 0.423800 8.4652E-01 1.3542E+01 4.1111E+00 O6 1837 15.999400 -0.847600 -1.2701E+01 1.6850E+01 -1.6070E+01 H1 1838 1.008000 0.423800 -1.2530E+01 1.6590E+01 -1.5120E+01 H2 1839 1.008000 0.423800 -1.1893E+01 1.7309E+01 -1.6441E+01 O6 1840 15.999400 -0.847600 -1.2984E+01 1.3776E+01 -6.2131E+00 H1 1841 1.008000 0.423800 -1.3630E+01 1.3764E+01 -5.4500E+00 H2 1842 1.008000 0.423800 -1.2880E+01 1.2849E+01 -6.5751E+00 O6 1843 15.999400 -0.847600 8.9352E+00 1.0121E+01 5.2608E+00 H1 1844 1.008000 0.423800 8.0948E+00 9.5954E+00 5.3942E+00 H2 1845 1.008000 0.423800 9.0002E+00 1.0409E+01 4.3054E+00 O6 1846 15.999400 -0.847600 1.6126E+01 1.4960E+01 -1.7312E+01 H1 1847 1.008000 0.423800 1.6587E+01 1.5847E+01 -1.7285E+01 H2 1848 1.008000 0.423800 1.5230E+01 1.5063E+01 -1.7745E+01 O6 1849 15.999400 -0.847600 -1.3677E+01 1.0556E+00 -9.2083E+00 H1 1850 1.008000 0.423800 -1.3503E+01 1.7039E+00 -8.4671E+00 H2 1851 1.008000 0.423800 -1.4193E+01 2.7544E-01 -8.8542E+00 O6 1852 15.999400 -0.847600 -1.9229E+01 6.0206E+00 -5.7723E+00 H1 1853 1.008000 0.423800 -1.8234E+01 5.9260E+00 -5.7966E+00 H2 1854 1.008000 0.423800 -1.9471E+01 6.9894E+00 -5.7158E+00 O6 1855 15.999400 -0.847600 1.1326E+01 -1.1977E+01 -8.7056E+00 H1 1856 1.008000 0.423800 1.1832E+01 -1.2514E+01 -8.0310E+00 H2 1857 1.008000 0.423800 1.1959E+01 -1.1381E+01 -9.2001E+00 O6 1858 15.999400 -0.847600 -5.2866E-01 -1.1499E+01 2.7582E+00 H1 1859 1.008000 0.423800 -1.0477E+00 -1.0773E+01 3.2084E+00 H2 1860 1.008000 0.423800 4.4883E-01 -1.1298E+01 2.8192E+00 O6 1861 15.999400 -0.847600 1.7841E+01 -1.8272E+01 1.1162E+01 H1 1862 1.008000 0.423800 1.6969E+01 -1.8357E+01 1.1644E+01 H2 1863 1.008000 0.423800 1.8095E+01 -1.9158E+01 1.0774E+01 O6 1864 15.999400 -0.847600 -7.8526E+00 1.1427E+01 3.7478E+00 H1 1865 1.008000 0.423800 -7.0061E+00 1.1452E+01 4.2797E+00 H2 1866 1.008000 0.423800 -7.6679E+00 1.1729E+01 2.8128E+00 O6 1867 15.999400 -0.847600 -8.1818E+00 3.8713E+00 1.8652E+01 H1 1868 1.008000 0.423800 -7.3220E+00 4.2780E+00 1.8343E+01 H2 1869 1.008000 0.423800 -8.4388E+00 4.2653E+00 1.9535E+01 O6 1870 15.999400 -0.847600 -9.5321E+00 -5.1588E+00 1.2042E-01 H1 1871 1.008000 0.423800 -1.0206E+01 -4.4941E+00 -2.0299E-01 H2 1872 1.008000 0.423800 -9.6744E+00 -5.3301E+00 1.0953E+00 O6 1873 15.999400 -0.847600 -1.1310E+01 1.7383E+01 8.7061E+00 H1 1874 1.008000 0.423800 -1.0530E+01 1.7761E+01 8.2073E+00 H2 1875 1.008000 0.423800 -1.1043E+01 1.6524E+01 9.1418E+00 O6 1876 15.999400 -0.847600 -1.0946E+00 1.4434E+01 7.1410E+00 H1 1877 1.008000 0.423800 -4.8280E-01 1.3669E+01 6.9396E+00 H2 1878 1.008000 0.423800 -1.5957E+00 1.4687E+01 6.3133E+00 O6 1879 15.999400 -0.847600 -5.0947E+00 -9.3931E+00 6.7324E+00 H1 1880 1.008000 0.423800 -4.1704E+00 -9.0977E+00 6.9739E+00 H2 1881 1.008000 0.423800 -5.4965E+00 -8.7397E+00 6.0908E+00 O6 1882 15.999400 -0.847600 1.6275E+01 -5.7971E+00 -1.5967E+01 H1 1883 1.008000 0.423800 1.6755E+01 -5.4618E+00 -1.5156E+01 H2 1884 1.008000 0.423800 1.6921E+01 -6.2757E+00 -1.6562E+01 O6 1885 15.999400 -0.847600 -7.0424E+00 1.9629E-01 -1.8969E+00 H1 1886 1.008000 0.423800 -8.0025E+00 -8.1792E-02 -1.8672E+00 H2 1887 1.008000 0.423800 -6.6442E+00 -7.3969E-02 -2.7735E+00 O6 1888 15.999400 -0.847600 -3.9067E+00 -1.4303E+01 -7.4417E+00 H1 1889 1.008000 0.423800 -3.6289E+00 -1.5260E+01 -7.3646E+00 H2 1890 1.008000 0.423800 -3.9802E+00 -1.4054E+01 -8.4074E+00 O6 1891 15.999400 -0.847600 -1.9319E+01 -4.8464E+00 7.1026E+00 H1 1892 1.008000 0.423800 -1.9299E+01 -5.7088E+00 7.6087E+00 H2 1893 1.008000 0.423800 1.9350E+01 -4.1396E+00 7.6652E+00 O6 1894 15.999400 -0.847600 -1.6363E+00 6.6560E+00 9.2627E+00 H1 1895 1.008000 0.423800 -2.3187E+00 7.3547E+00 9.0478E+00 H2 1896 1.008000 0.423800 -2.0513E+00 5.7495E+00 9.1840E+00 O6 1897 15.999400 -0.847600 1.7187E+01 5.4558E-01 -4.3144E-01 H1 1898 1.008000 0.423800 1.7031E+01 1.5254E+00 -3.0549E-01 H2 1899 1.008000 0.423800 1.6721E+01 3.8303E-02 2.9383E-01 O6 1900 15.999400 -0.847600 1.8953E+01 -7.9785E-01 -1.1432E+01 H1 1901 1.008000 0.423800 1.9294E+01 -3.5768E-01 -1.2263E+01 H2 1902 1.008000 0.423800 -1.9402E+01 -1.3037E+00 -1.0994E+01 O6 1903 15.999400 -0.847600 -1.2009E+01 -1.9483E+01 -1.8277E+01 H1 1904 1.008000 0.423800 -1.1907E+01 -1.8643E+01 -1.7743E+01 H2 1905 1.008000 0.423800 -1.2945E+01 -1.9547E+01 -1.8623E+01 O6 1906 15.999400 -0.847600 8.9101E+00 5.5897E+00 -1.1529E+01 H1 1907 1.008000 0.423800 9.6012E+00 6.2451E+00 -1.1224E+01 H2 1908 1.008000 0.423800 8.5906E+00 5.8428E+00 -1.2442E+01 O6 1909 15.999400 -0.847600 -3.2210E+00 -1.5945E+00 8.4966E+00 H1 1910 1.008000 0.423800 -3.3876E+00 -9.4813E-01 9.2412E+00 H2 1911 1.008000 0.423800 -2.4883E+00 -2.2227E+00 8.7583E+00 O6 1912 15.999400 -0.847600 -9.3768E+00 -1.6763E+01 3.7691E-01 H1 1913 1.008000 0.423800 -1.0315E+01 -1.6995E+01 1.2142E-01 H2 1914 1.008000 0.423800 -9.1370E+00 -1.7232E+01 1.2268E+00 O6 1915 15.999400 -0.847600 8.9023E+00 -1.7685E+00 -3.8185E+00 H1 1916 1.008000 0.423800 9.2048E+00 -1.1775E+00 -4.5663E+00 H2 1917 1.008000 0.423800 8.3056E+00 -1.2510E+00 -3.2053E+00 O6 1918 15.999400 -0.847600 -1.2174E+01 9.4122E+00 -3.6298E+00 H1 1919 1.008000 0.423800 -1.1179E+01 9.3240E+00 -3.5879E+00 H2 1920 1.008000 0.423800 -1.2579E+01 9.0094E+00 -2.8090E+00 O6 1921 15.999400 -0.847600 -4.8151E+00 -5.5849E+00 -1.7376E+01 H1 1922 1.008000 0.423800 -5.4632E+00 -6.3085E+00 -1.7614E+01 H2 1923 1.008000 0.423800 -4.5033E+00 -5.1298E+00 -1.8211E+01 O6 1924 15.999400 -0.847600 -7.1627E-01 7.9860E+00 -5.6107E+00 H1 1925 1.008000 0.423800 -1.1679E+00 8.7461E+00 -5.1434E+00 H2 1926 1.008000 0.423800 -1.3855E+00 7.2684E+00 -5.8034E+00 O6 1927 15.999400 -0.847600 -1.7597E+01 1.5816E+01 1.2035E+01 H1 1928 1.008000 0.423800 -1.8337E+01 1.6436E+01 1.2294E+01 H2 1929 1.008000 0.423800 -1.6731E+01 1.6316E+01 1.2022E+01 O6 1930 15.999400 -0.847600 1.4438E+01 -1.5182E+01 -6.8624E+00 H1 1931 1.008000 0.423800 1.3756E+01 -1.5797E+01 -7.2588E+00 H2 1932 1.008000 0.423800 1.4067E+01 -1.4255E+01 -6.8207E+00 O6 1933 15.999400 -0.847600 -5.4870E+00 4.3954E+00 1.2495E+01 H1 1934 1.008000 0.423800 -6.2853E+00 3.9622E+00 1.2913E+01 H2 1935 1.008000 0.423800 -4.8821E+00 4.7422E+00 1.3212E+01 O6 1936 15.999400 -0.847600 -1.5781E+01 -2.7202E+00 1.5485E+01 H1 1937 1.008000 0.423800 -1.6514E+01 -3.1661E+00 1.4972E+01 H2 1938 1.008000 0.423800 -1.5362E+01 -3.3795E+00 1.6109E+01 O6 1939 15.999400 -0.847600 7.2067E+00 -8.0123E+00 -6.3677E+00 H1 1940 1.008000 0.423800 6.5887E+00 -8.7874E+00 -6.2365E+00 H2 1941 1.008000 0.423800 6.6916E+00 -7.2315E+00 -6.7213E+00 O6 1942 15.999400 -0.847600 -1.0376E+00 -1.0589E+01 -1.8171E+01 H1 1943 1.008000 0.423800 -5.0305E-01 -9.9126E+00 -1.8678E+01 H2 1944 1.008000 0.423800 -4.4519E-01 -1.1349E+01 -1.7903E+01 O6 1945 15.999400 -0.847600 1.5973E+01 9.6995E+00 1.8364E+01 H1 1946 1.008000 0.423800 1.6892E+01 9.3991E+00 1.8620E+01 H2 1947 1.008000 0.423800 1.5296E+01 9.1011E+00 1.8792E+01 O6 1948 15.999400 -0.847600 -8.5436E+00 1.8923E+01 -5.5382E+00 H1 1949 1.008000 0.423800 -9.5247E+00 1.8948E+01 -5.7299E+00 H2 1950 1.008000 0.423800 -8.3982E+00 1.8879E+01 -4.5498E+00 O6 1951 15.999400 -0.847600 1.4168E+01 -1.4586E+01 1.2120E+01 H1 1952 1.008000 0.423800 1.3460E+01 -1.3992E+01 1.1737E+01 H2 1953 1.008000 0.423800 1.4009E+01 -1.5528E+01 1.1824E+01 O6 1954 15.999400 -0.847600 -1.7256E+01 1.0764E-02 -2.3979E+00 H1 1955 1.008000 0.423800 -1.8175E+01 1.6840E-01 -2.7597E+00 H2 1956 1.008000 0.423800 -1.7165E+01 4.6241E-01 -1.5103E+00 O6 1957 15.999400 -0.847600 -1.3005E+01 1.0120E+00 1.2843E+01 H1 1958 1.008000 0.423800 -1.3618E+01 1.3412E+00 1.3561E+01 H2 1959 1.008000 0.423800 -1.3242E+01 1.4492E+00 1.1976E+01 O6 1960 15.999400 -0.847600 -9.0934E+00 1.2151E+01 -1.1774E+01 H1 1961 1.008000 0.423800 -9.1370E+00 1.3139E+01 -1.1626E+01 H2 1962 1.008000 0.423800 -8.5631E+00 1.1727E+01 -1.1039E+01 O6 1963 15.999400 -0.847600 1.1164E+01 9.4560E+00 -1.3220E+01 H1 1964 1.008000 0.423800 1.1896E+01 9.2514E+00 -1.2570E+01 H2 1965 1.008000 0.423800 1.1455E+01 1.0193E+01 -1.3829E+01 O6 1966 15.999400 -0.847600 5.3977E+00 -9.9217E+00 -5.3846E+00 H1 1967 1.008000 0.423800 5.7074E+00 -9.7818E+00 -4.4442E+00 H2 1968 1.008000 0.423800 5.1074E+00 -1.0871E+01 -5.5020E+00 O6 1969 15.999400 -0.847600 -1.6453E+01 5.9066E+00 -5.8733E+00 H1 1970 1.008000 0.423800 -1.5845E+01 6.6082E+00 -5.5028E+00 H2 1971 1.008000 0.423800 -1.6361E+01 5.0679E+00 -5.3368E+00 O6 1972 15.999400 -0.847600 -9.6198E+00 2.5650E+00 -1.7612E+01 H1 1973 1.008000 0.423800 -1.0045E+01 2.6345E+00 -1.8514E+01 H2 1974 1.008000 0.423800 -8.6587E+00 2.8337E+00 -1.7675E+01 O6 1975 15.999400 -0.847600 -6.3003E+00 -4.6497E+00 -7.1457E+00 H1 1976 1.008000 0.423800 -5.8844E+00 -5.4425E+00 -6.7000E+00 H2 1977 1.008000 0.423800 -5.7991E+00 -4.4383E+00 -7.9848E+00 O6 1978 15.999400 -0.847600 1.4989E+01 5.7719E+00 -1.5541E+01 H1 1979 1.008000 0.423800 1.5608E+01 5.3583E+00 -1.6209E+01 H2 1980 1.008000 0.423800 1.5151E+01 6.7580E+00 -1.5503E+01 O6 1981 15.999400 -0.847600 -9.6827E+00 1.3345E+01 1.8654E+00 H1 1982 1.008000 0.423800 -9.3580E+00 1.3982E+01 2.5640E+00 H2 1983 1.008000 0.423800 -1.0587E+01 1.3002E+01 2.1209E+00 O6 1984 15.999400 -0.847600 2.1958E-01 6.3193E+00 -1.6166E+01 H1 1985 1.008000 0.423800 7.2207E-01 6.8218E+00 -1.6869E+01 H2 1986 1.008000 0.423800 -7.6302E-01 6.4238E+00 -1.6319E+01 O6 1987 15.999400 -0.847600 -1.1617E+01 4.9428E+00 3.6373E+00 H1 1988 1.008000 0.423800 -1.2287E+01 4.9440E+00 2.8950E+00 H2 1989 1.008000 0.423800 -1.0755E+01 4.5569E+00 3.3078E+00 O6 1990 15.999400 -0.847600 1.0080E+01 1.7506E+01 1.7051E+01 H1 1991 1.008000 0.423800 1.1005E+01 1.7451E+01 1.7427E+01 H2 1992 1.008000 0.423800 9.5281E+00 1.8123E+01 1.7612E+01 O6 1993 15.999400 -0.847600 -1.8159E+01 3.3216E+00 9.4134E-02 H1 1994 1.008000 0.423800 -1.8419E+01 3.6389E+00 1.0061E+00 H2 1995 1.008000 0.423800 -1.8983E+01 3.1175E+00 -4.3506E-01 O6 1996 15.999400 -0.847600 -1.0633E+01 -1.0406E+01 -1.5693E+01 H1 1997 1.008000 0.423800 -1.0967E+01 -9.7016E+00 -1.6319E+01 H2 1998 1.008000 0.423800 -1.1324E+01 -1.1123E+01 -1.5598E+01 O6 1999 15.999400 -0.847600 -7.0962E+00 8.4190E+00 -1.7481E+01 H1 2000 1.008000 0.423800 -7.7369E+00 8.4553E+00 -1.6714E+01 H2 2001 1.008000 0.423800 -6.5006E+00 9.2219E+00 -1.7456E+01 O6 2002 15.999400 -0.847600 -1.7721E+01 -1.7487E+01 -1.5967E-01 H1 2003 1.008000 0.423800 -1.8460E+01 -1.6904E+01 -4.9744E-01 H2 2004 1.008000 0.423800 -1.7871E+01 -1.7688E+01 8.0830E-01 O6 2005 15.999400 -0.847600 8.6904E-01 -2.1014E+00 5.6992E+00 H1 2006 1.008000 0.423800 1.3067E+00 -2.1509E+00 6.5970E+00 H2 2007 1.008000 0.423800 1.4015E-01 -2.7839E+00 5.6456E+00 O6 2008 15.999400 -0.847600 1.3533E+01 -7.6878E+00 -1.8445E+01 H1 2009 1.008000 0.423800 1.3210E+01 -6.8583E+00 -1.7989E+01 H2 2010 1.008000 0.423800 1.4530E+01 -7.6662E+00 -1.8509E+01 O6 2011 15.999400 -0.847600 1.7128E+01 -1.7112E+00 1.6529E+01 H1 2012 1.008000 0.423800 1.6708E+01 -8.3010E-01 1.6747E+01 H2 2013 1.008000 0.423800 1.6982E+01 -2.3466E+00 1.7287E+01 O6 2014 15.999400 -0.847600 1.8973E+01 -1.1381E+01 1.7208E+01 H1 2015 1.008000 0.423800 -1.9228E+01 -1.1813E+01 1.7301E+01 H2 2016 1.008000 0.423800 1.8258E+01 -1.2050E+01 1.7408E+01 O6 2017 15.999400 -0.847600 -1.7733E+01 -8.7288E+00 1.1029E+01 H1 2018 1.008000 0.423800 -1.7121E+01 -8.8143E+00 1.0243E+01 H2 2019 1.008000 0.423800 -1.7192E+01 -8.6880E+00 1.1870E+01 O6 2020 15.999400 -0.847600 -9.0503E+00 4.7769E+00 5.7942E+00 H1 2021 1.008000 0.423800 -9.9010E+00 4.3436E+00 5.4967E+00 H2 2022 1.008000 0.423800 -9.0057E+00 5.7077E+00 5.4313E+00 O6 2023 15.999400 -0.847600 1.1995E+01 1.2047E+01 -5.8880E+00 H1 2024 1.008000 0.423800 1.1281E+01 1.2617E+01 -5.4803E+00 H2 2025 1.008000 0.423800 1.1572E+01 1.1309E+01 -6.4135E+00 O6 2026 15.999400 -0.847600 2.1220E+00 -1.0556E+01 2.5418E+00 H1 2027 1.008000 0.423800 1.9902E+00 -9.7128E+00 3.0631E+00 H2 2028 1.008000 0.423800 3.0292E+00 -1.0549E+01 2.1213E+00 O6 2029 15.999400 -0.847600 -1.4409E+01 3.5616E+00 3.0423E-02 H1 2030 1.008000 0.423800 -1.3731E+01 4.1706E+00 4.4168E-01 H2 2031 1.008000 0.423800 -1.5107E+01 4.1060E+00 -4.3543E-01 O6 2032 15.999400 -0.847600 1.7530E+01 1.6090E+01 1.0978E+01 H1 2033 1.008000 0.423800 1.7871E+01 1.5519E+01 1.0232E+01 H2 2034 1.008000 0.423800 1.6874E+01 1.5569E+01 1.1524E+01 O6 2035 15.999400 -0.847600 -1.4188E+00 3.6316E+00 1.6067E+01 H1 2036 1.008000 0.423800 -2.0188E+00 3.9986E+00 1.6778E+01 H2 2037 1.008000 0.423800 -5.0467E-01 4.0245E+00 1.6167E+01 O6 2038 15.999400 -0.847600 -8.1963E+00 -1.6090E+01 -2.1616E+00 H1 2039 1.008000 0.423800 -8.9540E+00 -1.6387E+01 -1.5808E+00 H2 2040 1.008000 0.423800 -8.2844E+00 -1.5111E+01 -2.3494E+00 O6 2041 15.999400 -0.847600 5.4867E+00 -1.8441E+01 1.1133E+01 H1 2042 1.008000 0.423800 5.3326E+00 -1.9097E+01 1.0394E+01 H2 2043 1.008000 0.423800 6.1251E+00 -1.7736E+01 1.0825E+01 O6 2044 15.999400 -0.847600 -9.2122E+00 6.4379E+00 -2.5796E+00 H1 2045 1.008000 0.423800 -8.2751E+00 6.1977E+00 -2.3264E+00 H2 2046 1.008000 0.423800 -9.4619E+00 5.9621E+00 -3.4230E+00 O6 2047 15.999400 -0.847600 1.6920E+01 5.8176E+00 -1.7907E+01 H1 2048 1.008000 0.423800 1.7713E+01 5.2765E+00 -1.7626E+01 H2 2049 1.008000 0.423800 1.7008E+01 6.0607E+00 -1.8873E+01 O6 2050 15.999400 -0.847600 -1.8601E+01 2.8597E+00 -4.6264E+00 H1 2051 1.008000 0.423800 -1.7637E+01 3.0317E+00 -4.4202E+00 H2 2052 1.008000 0.423800 -1.9173E+01 3.4746E+00 -4.0834E+00 O6 2053 15.999400 -0.847600 2.0427E+00 1.7754E+01 -1.1430E+01 H1 2054 1.008000 0.423800 1.2638E+00 1.7773E+01 -1.2057E+01 H2 2055 1.008000 0.423800 2.8193E+00 1.8224E+01 -1.1850E+01 O6 2056 15.999400 -0.847600 1.1069E+01 -1.6969E+01 -1.2400E+01 H1 2057 1.008000 0.423800 1.0200E+01 -1.7324E+01 -1.2745E+01 H2 2058 1.008000 0.423800 1.1412E+01 -1.6266E+01 -1.3023E+01 O6 2059 15.999400 -0.847600 -1.5380E+01 -1.0130E+01 1.5678E+01 H1 2060 1.008000 0.423800 -1.6101E+01 -1.0346E+01 1.5020E+01 H2 2061 1.008000 0.423800 -1.4554E+01 -9.8520E+00 1.5187E+01 O6 2062 15.999400 -0.847600 5.6238E+00 -9.7925E+00 9.6107E+00 H1 2063 1.008000 0.423800 5.7024E+00 -9.1085E+00 8.8855E+00 H2 2064 1.008000 0.423800 6.4007E+00 -9.7075E+00 1.0235E+01 O6 2065 15.999400 -0.847600 -3.8371E+00 1.0488E+01 1.9399E+01 H1 2066 1.008000 0.423800 -4.4572E+00 1.0959E+01 -1.9070E+01 H2 2067 1.008000 0.423800 -3.2108E+00 1.1151E+01 1.8990E+01 O6 2068 15.999400 -0.847600 3.8895E+00 3.6248E-01 1.9416E+01 H1 2069 1.008000 0.423800 4.5671E+00 9.7898E-01 -1.9281E+01 H2 2070 1.008000 0.423800 4.2130E+00 -5.8094E-01 1.9488E+01 O6 2071 15.999400 -0.847600 -8.9585E+00 -7.9012E+00 -3.6084E-01 H1 2072 1.008000 0.423800 -9.7251E+00 -8.5135E+00 -1.6709E-01 H2 2073 1.008000 0.423800 -9.2980E+00 -6.9672E+00 -4.7194E-01 O6 2074 15.999400 -0.847600 -8.6537E+00 -2.9360E+00 -1.4025E+01 H1 2075 1.008000 0.423800 -8.6109E+00 -3.4236E+00 -1.3153E+01 H2 2076 1.008000 0.423800 -7.7263E+00 -2.7335E+00 -1.4339E+01 O6 2077 15.999400 -0.847600 3.9249E+00 4.4540E+00 1.2471E+01 H1 2078 1.008000 0.423800 3.9425E+00 4.0096E+00 1.1575E+01 H2 2079 1.008000 0.423800 2.9764E+00 4.5871E+00 1.2758E+01 O6 2080 15.999400 -0.847600 -7.9631E+00 9.8719E+00 -5.1194E+00 H1 2081 1.008000 0.423800 -8.6258E+00 9.4727E+00 -4.4857E+00 H2 2082 1.008000 0.423800 -7.0441E+00 9.7951E+00 -4.7326E+00 O6 2083 15.999400 -0.847600 -4.4948E+00 7.2331E-01 -1.6331E+01 H1 2084 1.008000 0.423800 -4.2197E+00 -1.7025E-01 -1.6686E+01 H2 2085 1.008000 0.423800 -4.4489E+00 1.4016E+00 -1.7064E+01 O6 2086 15.999400 -0.847600 -1.8717E+00 2.6685E+00 1.3535E+01 H1 2087 1.008000 0.423800 -1.7393E+00 3.1143E+00 1.4420E+01 H2 2088 1.008000 0.423800 -1.7394E+00 3.3362E+00 1.2802E+01 O6 2089 15.999400 -0.847600 -2.4936E+00 4.0910E+00 9.0986E+00 H1 2090 1.008000 0.423800 -3.0850E+00 3.8959E+00 9.8811E+00 H2 2091 1.008000 0.423800 -1.7290E+00 3.4466E+00 9.0899E+00 O6 2092 15.999400 -0.847600 -1.3549E+01 -3.1076E+00 -1.0683E+01 H1 2093 1.008000 0.423800 -1.3086E+01 -2.5157E+00 -1.1343E+01 H2 2094 1.008000 0.423800 -1.2877E+01 -3.7006E+00 -1.0239E+01 O6 2095 15.999400 -0.847600 1.6555E+01 2.7623E+00 6.4564E+00 H1 2096 1.008000 0.423800 1.6880E+01 3.4340E+00 7.1218E+00 H2 2097 1.008000 0.423800 1.6630E+01 3.1426E+00 5.5346E+00 O6 2098 15.999400 -0.847600 -1.6428E+01 7.4392E+00 1.7218E+01 H1 2099 1.008000 0.423800 -1.5679E+01 6.9096E+00 1.6819E+01 H2 2100 1.008000 0.423800 -1.7299E+01 6.9917E+00 1.7013E+01 O6 2101 15.999400 -0.847600 -1.0135E+01 -1.1643E+01 1.8678E+00 H1 2102 1.008000 0.423800 -1.0579E+01 -1.1800E+01 9.8575E-01 H2 2103 1.008000 0.423800 -1.0440E+01 -1.0769E+01 2.2439E+00 O6 2104 15.999400 -0.847600 -2.2507E+00 -9.3253E+00 -5.4277E+00 H1 2105 1.008000 0.423800 -1.9717E+00 -9.5664E+00 -6.3572E+00 H2 2106 1.008000 0.423800 -1.7888E+00 -8.4834E+00 -5.1489E+00 O6 2107 15.999400 -0.847600 1.1588E+01 5.2542E+00 -4.4982E+00 H1 2108 1.008000 0.423800 1.2353E+01 4.7468E+00 -4.8933E+00 H2 2109 1.008000 0.423800 1.0853E+01 4.6183E+00 -4.2617E+00 O6 2110 15.999400 -0.847600 -1.8124E+01 -7.1368E+00 -1.2141E+01 H1 2111 1.008000 0.423800 -1.8867E+01 -7.1348E+00 -1.1473E+01 H2 2112 1.008000 0.423800 -1.7802E+01 -8.0736E+00 -1.2279E+01 O6 2113 15.999400 -0.847600 1.8072E+01 1.0549E+01 -8.7721E+00 H1 2114 1.008000 0.423800 1.7808E+01 1.0806E+01 -7.8424E+00 H2 2115 1.008000 0.423800 1.7932E+01 9.5673E+00 -8.8990E+00 O6 2116 15.999400 -0.847600 -1.8448E+01 1.5974E+01 -1.0578E+01 H1 2117 1.008000 0.423800 -1.8082E+01 1.5549E+01 -9.7502E+00 H2 2118 1.008000 0.423800 -1.8836E+01 1.5268E+01 -1.1171E+01 O6 2119 15.999400 -0.847600 9.7583E+00 -1.8461E+01 4.4596E+00 H1 2120 1.008000 0.423800 9.6681E+00 -1.9279E+01 3.8909E+00 H2 2121 1.008000 0.423800 1.0557E+01 -1.8555E+01 5.0542E+00 O6 2122 15.999400 -0.847600 -1.2784E+00 1.7128E+01 1.7030E+01 H1 2123 1.008000 0.423800 -8.0559E-01 1.6284E+01 1.6777E+01 H2 2124 1.008000 0.423800 -2.0446E+00 1.7281E+01 1.6406E+01 O6 2125 15.999400 -0.847600 9.5276E+00 1.2158E+01 5.2741E-01 H1 2126 1.008000 0.423800 9.2280E+00 1.2773E+01 -2.0238E-01 H2 2127 1.008000 0.423800 1.0246E+01 1.1555E+01 1.8104E-01 O6 2128 15.999400 -0.847600 1.7167E+01 9.3502E-01 1.3118E+01 H1 2129 1.008000 0.423800 1.7594E+01 1.6333E-01 1.3589E+01 H2 2130 1.008000 0.423800 1.7024E+01 1.6830E+00 1.3766E+01 O6 2131 15.999400 -0.847600 1.7687E+01 -7.1528E+00 -6.7162E+00 H1 2132 1.008000 0.423800 1.7556E+01 -6.2786E+00 -6.2488E+00 H2 2133 1.008000 0.423800 1.8665E+01 -7.3167E+00 -6.8480E+00 O6 2134 15.999400 -0.847600 -1.9493E+01 1.4418E+01 -4.3318E+00 H1 2135 1.008000 0.423800 1.8793E+01 1.4816E+01 -4.7598E+00 H2 2136 1.008000 0.423800 -1.8981E+01 1.5135E+01 -3.8582E+00 O6 2137 15.999400 -0.847600 -3.9499E+00 5.8805E+00 5.2501E+00 H1 2138 1.008000 0.423800 -3.1527E+00 6.0518E+00 4.6713E+00 H2 2139 1.008000 0.423800 -4.0505E+00 4.8964E+00 5.3962E+00 O6 2140 15.999400 -0.847600 5.9903E-01 -1.2657E+01 6.3155E+00 H1 2141 1.008000 0.423800 8.7644E-01 -1.3617E+01 6.2943E+00 H2 2142 1.008000 0.423800 -3.4492E-02 -1.2476E+01 5.5632E+00 O6 2143 15.999400 -0.847600 -1.4993E+01 1.6914E+01 1.2124E+01 H1 2144 1.008000 0.423800 -1.4812E+01 1.7765E+01 1.2618E+01 H2 2145 1.008000 0.423800 -1.4369E+01 1.6202E+01 1.2446E+01 O6 2146 15.999400 -0.847600 -2.8173E+00 -1.6382E+01 7.4023E+00 H1 2147 1.008000 0.423800 -2.0142E+00 -1.6977E+01 7.4273E+00 H2 2148 1.008000 0.423800 -2.8157E+00 -1.5786E+01 8.2055E+00 O6 2149 15.999400 -0.847600 -7.0428E+00 -1.5938E+01 -1.5669E+01 H1 2150 1.008000 0.423800 -6.1258E+00 -1.5539E+01 -1.5665E+01 H2 2151 1.008000 0.423800 -7.6692E+00 -1.5338E+01 -1.5171E+01 O6 2152 15.999400 -0.847600 -8.7365E-01 8.8466E-01 5.6273E+00 H1 2153 1.008000 0.423800 -1.0085E+00 1.7056E+00 6.1823E+00 H2 2154 1.008000 0.423800 -1.7051E-01 1.0600E+00 4.9382E+00 O6 2155 15.999400 -0.847600 -5.9625E+00 -2.5243E+00 1.1237E+01 H1 2156 1.008000 0.423800 -6.8456E+00 -2.9703E+00 1.1382E+01 H2 2157 1.008000 0.423800 -5.4128E+00 -3.0714E+00 1.0605E+01 O6 2158 15.999400 -0.847600 -9.5941E+00 1.6841E+01 1.6806E+01 H1 2159 1.008000 0.423800 -1.0136E+01 1.7126E+01 1.7597E+01 H2 2160 1.008000 0.423800 -8.7769E+00 1.6357E+01 1.7119E+01 O6 2161 15.999400 -0.847600 -5.4947E+00 5.3849E+00 -8.4782E+00 H1 2162 1.008000 0.423800 -5.0840E+00 5.1982E+00 -9.3707E+00 H2 2163 1.008000 0.423800 -5.3765E+00 6.3520E+00 -8.2528E+00 O6 2164 15.999400 -0.847600 -4.0504E+00 2.7481E+00 -8.1347E+00 H1 2165 1.008000 0.423800 -3.0631E+00 2.8726E+00 -8.0361E+00 H2 2166 1.008000 0.423800 -4.4463E+00 3.5560E+00 -8.5712E+00 O6 2167 15.999400 -0.847600 1.7147E+01 -6.8457E+00 -1.1606E+01 H1 2168 1.008000 0.423800 1.6468E+01 -6.2897E+00 -1.1126E+01 H2 2169 1.008000 0.423800 1.7794E+01 -7.2263E+00 -1.0946E+01 O6 2170 15.999400 -0.847600 -2.7434E+00 1.3427E+01 1.6156E+01 H1 2171 1.008000 0.423800 -2.3789E+00 1.2920E+01 1.5375E+01 H2 2172 1.008000 0.423800 -3.1174E+00 1.4300E+01 1.5842E+01 O6 2173 15.999400 -0.847600 -6.1461E-01 6.8597E+00 1.7428E+01 H1 2174 1.008000 0.423800 -3.2386E-01 6.3579E+00 1.8243E+01 H2 2175 1.008000 0.423800 1.8871E-01 7.2221E+00 1.6955E+01 O6 2176 15.999400 -0.847600 1.2378E+01 6.0093E+00 1.8845E+01 H1 2177 1.008000 0.423800 1.2524E+01 5.0224E+00 1.8916E+01 H2 2178 1.008000 0.423800 1.1484E+01 6.2428E+00 1.9227E+01 O6 2179 15.999400 -0.847600 1.0306E+01 2.8488E+00 -5.0457E+00 H1 2180 1.008000 0.423800 1.0034E+01 3.3506E+00 -5.8669E+00 H2 2181 1.008000 0.423800 1.0687E+01 1.9621E+00 -5.3078E+00 O6 2182 15.999400 -0.847600 1.1958E+01 9.1609E+00 1.6029E+01 H1 2183 1.008000 0.423800 1.1259E+01 8.4465E+00 1.5989E+01 H2 2184 1.008000 0.423800 1.1789E+01 9.7472E+00 1.6822E+01 O6 2185 15.999400 -0.847600 -3.3891E+00 -1.1585E+01 -1.6742E+01 H1 2186 1.008000 0.423800 -3.1996E+00 -1.2498E+01 -1.6380E+01 H2 2187 1.008000 0.423800 -2.6205E+00 -1.1285E+01 -1.7307E+01 O6 2188 15.999400 -0.847600 2.8532E+00 1.1704E+01 -5.1555E+00 H1 2189 1.008000 0.423800 3.6384E+00 1.1753E+01 -5.7728E+00 H2 2190 1.008000 0.423800 2.3392E+00 1.0865E+01 -5.3359E+00 O6 2191 15.999400 -0.847600 6.8339E+00 -3.6325E+00 1.8632E+01 H1 2192 1.008000 0.423800 6.8125E+00 -2.8436E+00 1.8018E+01 H2 2193 1.008000 0.423800 7.7052E+00 -4.1121E+00 1.8528E+01 O6 2194 15.999400 -0.847600 -1.3317E+01 1.4687E+01 1.2895E+01 H1 2195 1.008000 0.423800 -1.2580E+01 1.5024E+01 1.3480E+01 H2 2196 1.008000 0.423800 -1.2927E+01 1.4158E+01 1.2140E+01 O6 2197 15.999400 -0.847600 6.7838E+00 8.5855E+00 -1.3409E+01 H1 2198 1.008000 0.423800 6.4520E+00 8.8951E+00 -1.4300E+01 H2 2199 1.008000 0.423800 6.0531E+00 8.0962E+00 -1.2933E+01 O6 2200 15.999400 -0.847600 -9.5723E+00 9.9891E+00 1.0320E+01 H1 2201 1.008000 0.423800 -8.9089E+00 1.0629E+01 1.0708E+01 H2 2202 1.008000 0.423800 -1.0490E+01 1.0227E+01 1.0639E+01 O6 2203 15.999400 -0.847600 1.4977E+01 -3.6504E-02 1.1797E+01 H1 2204 1.008000 0.423800 1.5664E+01 3.3896E-01 1.2419E+01 H2 2205 1.008000 0.423800 1.5411E+01 -6.9108E-01 1.1178E+01 O6 2206 15.999400 -0.847600 -5.9899E-01 -1.2725E+01 9.1077E+00 H1 2207 1.008000 0.423800 2.2885E-01 -1.2631E+01 9.6607E+00 H2 2208 1.008000 0.423800 -3.4821E-01 -1.2801E+01 8.1426E+00 O6 2209 15.999400 -0.847600 9.6532E+00 3.4406E+00 1.3769E+01 H1 2210 1.008000 0.423800 8.9781E+00 3.5813E+00 1.4493E+01 H2 2211 1.008000 0.423800 1.0281E+01 2.7091E+00 1.4035E+01 O6 2212 15.999400 -0.847600 1.2539E+01 1.4632E+01 7.3651E+00 H1 2213 1.008000 0.423800 1.2204E+01 1.4136E+01 6.5644E+00 H2 2214 1.008000 0.423800 1.2062E+01 1.5508E+01 7.4381E+00 O6 2215 15.999400 -0.847600 -6.0729E+00 -1.0937E+01 -1.8912E+01 H1 2216 1.008000 0.423800 -6.0657E+00 -1.1925E+01 -1.8761E+01 H2 2217 1.008000 0.423800 -5.1377E+00 -1.0586E+01 -1.8866E+01 O6 2218 15.999400 -0.847600 -1.0211E+01 -1.2442E+01 -1.0947E+01 H1 2219 1.008000 0.423800 -9.6801E+00 -1.2665E+01 -1.0130E+01 H2 2220 1.008000 0.423800 -1.0261E+01 -1.1448E+01 -1.1052E+01 O6 2221 15.999400 -0.847600 -1.9206E+01 1.0712E+01 3.0107E+00 H1 2222 1.008000 0.423800 -1.8696E+01 1.1084E+01 2.2341E+00 H2 2223 1.008000 0.423800 1.9184E+01 1.0090E+01 2.6779E+00 O6 2224 15.999400 -0.847600 8.7212E+00 -1.0775E+01 -7.8165E+00 H1 2225 1.008000 0.423800 9.3603E+00 -1.1423E+01 -8.2298E+00 H2 2226 1.008000 0.423800 9.0407E+00 -1.0529E+01 -6.9012E+00 O6 2227 15.999400 -0.847600 5.0497E+00 -4.6727E+00 1.5327E+01 H1 2228 1.008000 0.423800 4.6733E+00 -3.8585E+00 1.5769E+01 H2 2229 1.008000 0.423800 5.7686E+00 -4.4019E+00 1.4687E+01 O6 2230 15.999400 -0.847600 -1.2293E+01 7.4092E+00 4.5099E+00 H1 2231 1.008000 0.423800 -1.3115E+01 7.7085E+00 4.0253E+00 H2 2232 1.008000 0.423800 -1.2170E+01 6.4251E+00 4.3816E+00 O6 2233 15.999400 -0.847600 -1.3093E+01 1.3793E+01 9.8561E+00 H1 2234 1.008000 0.423800 -1.3363E+01 1.3395E+01 8.9793E+00 H2 2235 1.008000 0.423800 -1.2172E+01 1.4175E+01 9.7792E+00 O6 2236 15.999400 -0.847600 -8.8418E+00 -3.4945E+00 -7.3897E+00 H1 2237 1.008000 0.423800 -9.6682E+00 -3.9443E+00 -7.0509E+00 H2 2238 1.008000 0.423800 -8.0474E+00 -4.0723E+00 -7.2025E+00 O6 2239 15.999400 -0.847600 -4.3367E+00 -1.2369E+01 -4.8627E+00 H1 2240 1.008000 0.423800 -3.4045E+00 -1.2541E+01 -5.1810E+00 H2 2241 1.008000 0.423800 -4.9887E+00 -1.2736E+01 -5.5260E+00 O6 2242 15.999400 -0.847600 1.4155E+01 4.9985E+00 6.8465E+00 H1 2243 1.008000 0.423800 1.3623E+01 4.6108E+00 7.5998E+00 H2 2244 1.008000 0.423800 1.3811E+01 5.9128E+00 6.6322E+00 O6 2245 15.999400 -0.847600 -2.1018E-01 -1.5123E+00 -5.9369E+00 H1 2246 1.008000 0.423800 -5.3218E-01 -1.5246E+00 -6.8836E+00 H2 2247 1.008000 0.423800 -1.5225E-01 -2.4492E+00 -5.5924E+00 O6 2248 15.999400 -0.847600 1.8626E+01 1.9016E+01 -1.0525E+01 H1 2249 1.008000 0.423800 1.9338E+01 1.8789E+01 -9.8604E+00 H2 2250 1.008000 0.423800 1.8860E+01 1.8620E+01 -1.1413E+01 O6 2251 15.999400 -0.847600 -1.1107E+01 -9.3552E+00 3.1667E+00 H1 2252 1.008000 0.423800 -1.1470E+01 -8.6907E+00 2.5140E+00 H2 2253 1.008000 0.423800 -1.1833E+01 -9.6403E+00 3.7920E+00 O6 2254 15.999400 -0.847600 1.6051E+01 -3.1440E+00 -3.0319E+00 H1 2255 1.008000 0.423800 1.5854E+01 -3.2184E+00 -2.0543E+00 H2 2256 1.008000 0.423800 1.6418E+01 -4.0126E+00 -3.3648E+00 O6 2257 15.999400 -0.847600 -1.7858E+01 -1.3966E+01 -1.9421E+00 H1 2258 1.008000 0.423800 -1.7480E+01 -1.4146E+01 -2.8506E+00 H2 2259 1.008000 0.423800 -1.8476E+01 -1.4709E+01 -1.6857E+00 O6 2260 15.999400 -0.847600 -1.2882E+01 1.3530E+00 -1.7893E+01 H1 2261 1.008000 0.423800 -1.3598E+01 1.8562E+00 -1.8377E+01 H2 2262 1.008000 0.423800 -1.3143E+01 1.2430E+00 -1.6934E+01 O6 2263 15.999400 -0.847600 -1.8366E+01 1.8112E+01 -8.8955E+00 H1 2264 1.008000 0.423800 -1.8074E+01 1.7395E+01 -9.5287E+00 H2 2265 1.008000 0.423800 -1.8493E+01 1.7720E+01 -7.9844E+00 O6 2266 15.999400 -0.847600 -8.1800E+00 2.7010E+00 -2.1915E+00 H1 2267 1.008000 0.423800 -7.8113E+00 1.7718E+00 -2.2183E+00 H2 2268 1.008000 0.423800 -7.6657E+00 3.2819E+00 -2.8224E+00 O6 2269 15.999400 -0.847600 8.8111E+00 -1.7469E+01 -1.7111E+01 H1 2270 1.008000 0.423800 8.0341E+00 -1.8096E+01 -1.7049E+01 H2 2271 1.008000 0.423800 8.4772E+00 -1.6536E+01 -1.7247E+01 O6 2272 15.999400 -0.847600 -8.9777E+00 -1.7630E+01 1.3779E+01 H1 2273 1.008000 0.423800 -8.0447E+00 -1.7271E+01 1.3799E+01 H2 2274 1.008000 0.423800 -8.9959E+00 -1.8535E+01 1.4205E+01 O6 2275 15.999400 -0.847600 1.8875E+01 8.5453E+00 1.8104E+01 H1 2276 1.008000 0.423800 1.9123E+01 9.1884E+00 1.7380E+01 H2 2277 1.008000 0.423800 1.9530E+01 8.6209E+00 1.8856E+01 O6 2278 15.999400 -0.847600 -1.0703E+01 1.4247E+01 1.4640E+01 H1 2279 1.008000 0.423800 -9.9791E+00 1.4618E+01 1.5222E+01 H2 2280 1.008000 0.423800 -1.1413E+01 1.3837E+01 1.5212E+01 O6 2281 15.999400 -0.847600 2.7266E+00 -1.6493E+01 1.4803E+01 H1 2282 1.008000 0.423800 2.1229E+00 -1.5732E+01 1.5042E+01 H2 2283 1.008000 0.423800 3.6731E+00 -1.6171E+01 1.4777E+01 O6 2284 15.999400 -0.847600 -4.6695E+00 1.5469E+01 -1.3695E+01 H1 2285 1.008000 0.423800 -4.1571E+00 1.5707E+01 -1.4520E+01 H2 2286 1.008000 0.423800 -4.7601E+00 1.6278E+01 -1.3114E+01 O6 2287 15.999400 -0.847600 6.0201E+00 -1.8557E+01 -8.0820E+00 H1 2288 1.008000 0.423800 6.8603E+00 -1.8852E+01 -8.5374E+00 H2 2289 1.008000 0.423800 5.3165E+00 -1.9259E+01 -8.1949E+00 O6 2290 15.999400 -0.847600 -1.4383E+01 -1.3476E+01 -6.2112E+00 H1 2291 1.008000 0.423800 -1.4198E+01 -1.2532E+01 -6.4841E+00 H2 2292 1.008000 0.423800 -1.4452E+01 -1.3527E+01 -5.2149E+00 O6 2293 15.999400 -0.847600 2.1374E+00 -1.9084E+01 7.1750E+00 H1 2294 1.008000 0.423800 1.5065E+00 1.9404E+01 7.6558E+00 H2 2295 1.008000 0.423800 2.1449E+00 -1.9313E+01 6.2016E+00 O6 2296 15.999400 -0.847600 1.3508E+00 -9.6359E+00 -8.4997E+00 H1 2297 1.008000 0.423800 8.8452E-01 -8.7815E+00 -8.2703E+00 H2 2298 1.008000 0.423800 2.3111E+00 -9.5750E+00 -8.2274E+00 O6 2299 15.999400 -0.847600 1.3700E+01 -7.4532E+00 -1.4288E+01 H1 2300 1.008000 0.423800 1.3327E+01 -6.5880E+00 -1.3953E+01 H2 2301 1.008000 0.423800 1.4530E+01 -7.2755E+00 -1.4817E+01 O6 2302 15.999400 -0.847600 -9.2026E+00 -1.9746E+00 7.5666E+00 H1 2303 1.008000 0.423800 -8.2112E+00 -1.8792E+00 7.4759E+00 H2 2304 1.008000 0.423800 -9.6069E+00 -1.0808E+00 7.7609E+00 O6 2305 15.999400 -0.847600 3.1613E+00 -2.9126E-01 -8.0660E+00 H1 2306 1.008000 0.423800 3.4390E+00 6.3425E-01 -8.3236E+00 H2 2307 1.008000 0.423800 3.5923E+00 -5.3917E-01 -7.1984E+00 O6 2308 15.999400 -0.847600 -4.7537E+00 6.9231E+00 -1.5086E+01 H1 2309 1.008000 0.423800 -4.0575E+00 7.3117E+00 -1.5690E+01 H2 2310 1.008000 0.423800 -5.6614E+00 7.1928E+00 -1.5408E+01 O6 2311 15.999400 -0.847600 6.4224E+00 -1.2998E+01 -8.6061E+00 H1 2312 1.008000 0.423800 6.7241E+00 -1.2197E+01 -9.1238E+00 H2 2313 1.008000 0.423800 7.2181E+00 -1.3464E+01 -8.2189E+00 O6 2314 15.999400 -0.847600 -1.1480E+01 3.3263E+00 1.5555E+01 H1 2315 1.008000 0.423800 -1.1062E+01 4.2057E+00 1.5326E+01 H2 2316 1.008000 0.423800 -1.0799E+01 2.5998E+00 1.5461E+01 O6 2317 15.999400 -0.847600 -9.0678E+00 -6.4514E+00 1.2573E+01 H1 2318 1.008000 0.423800 -8.4749E+00 -6.8015E+00 1.1848E+01 H2 2319 1.008000 0.423800 -8.6397E+00 -6.6156E+00 1.3462E+01 O6 2320 15.999400 -0.847600 -9.1993E+00 -1.1492E+01 -1.7879E+01 H1 2321 1.008000 0.423800 -9.7265E+00 -1.1045E+01 -1.7157E+01 H2 2322 1.008000 0.423800 -8.2513E+00 -1.1602E+01 -1.7581E+01 O6 2323 15.999400 -0.847600 5.0474E+00 -1.3366E+01 -1.6843E+01 H1 2324 1.008000 0.423800 4.7734E+00 -1.2684E+01 -1.7521E+01 H2 2325 1.008000 0.423800 4.9358E+00 -1.2986E+01 -1.5925E+01 O6 2326 15.999400 -0.847600 8.0433E+00 -1.2517E+01 -2.2491E+00 H1 2327 1.008000 0.423800 7.6877E+00 -1.3038E+01 -1.4731E+00 H2 2328 1.008000 0.423800 8.4464E+00 -1.1663E+01 -1.9205E+00 O6 2329 15.999400 -0.847600 2.9258E+00 1.5684E+01 1.4815E+01 H1 2330 1.008000 0.423800 3.1586E+00 1.5236E+01 1.5678E+01 H2 2331 1.008000 0.423800 2.1667E+00 1.5199E+01 1.4382E+01 O6 2332 15.999400 -0.847600 -1.3712E+01 -1.5322E+01 2.7818E+00 H1 2333 1.008000 0.423800 -1.4574E+01 -1.5227E+01 3.2810E+00 H2 2334 1.008000 0.423800 -1.3072E+01 -1.4617E+01 3.0858E+00 O6 2335 15.999400 -0.847600 -1.0306E+01 -6.0241E+00 7.0446E+00 H1 2336 1.008000 0.423800 -9.6224E+00 -5.9561E+00 6.3179E+00 H2 2337 1.008000 0.423800 -1.1112E+01 -5.4874E+00 6.7951E+00 O6 2338 15.999400 -0.847600 1.1012E+01 1.3346E+01 -1.9067E+01 H1 2339 1.008000 0.423800 1.0046E+01 1.3489E+01 -1.9280E+01 H2 2340 1.008000 0.423800 1.1279E+01 1.3943E+01 -1.8310E+01 O6 2341 15.999400 -0.847600 -1.2423E+01 -4.1344E+00 2.1876E+00 H1 2342 1.008000 0.423800 -1.3138E+01 -3.5395E+00 2.5560E+00 H2 2343 1.008000 0.423800 -1.1565E+01 -3.9637E+00 2.6717E+00 O6 2344 15.999400 -0.847600 -1.3574E+01 8.5913E+00 -1.9012E+01 H1 2345 1.008000 0.423800 -1.3576E+01 8.7094E+00 -1.8019E+01 H2 2346 1.008000 0.423800 -1.4029E+01 7.7322E+00 -1.9247E+01 O6 2347 15.999400 -0.847600 1.2757E+01 -1.7061E+01 -7.8080E+00 H1 2348 1.008000 0.423800 1.2862E+01 -1.7439E+01 -8.7278E+00 H2 2349 1.008000 0.423800 1.1837E+01 -1.6681E+01 -7.7072E+00 O6 2350 15.999400 -0.847600 -7.1608E+00 -7.3392E-01 3.3020E+00 H1 2351 1.008000 0.423800 -6.5348E+00 -1.4443E+00 3.6239E+00 H2 2352 1.008000 0.423800 -7.6031E+00 -1.0371E+00 2.4579E+00 O6 2353 15.999400 -0.847600 -1.4525E+01 4.4959E+00 -1.6694E+01 H1 2354 1.008000 0.423800 -1.4195E+01 4.1675E+00 -1.5808E+01 H2 2355 1.008000 0.423800 -1.3745E+01 4.7282E+00 -1.7275E+01 O6 2356 15.999400 -0.847600 6.8699E-01 -5.6545E+00 -1.3279E+01 H1 2357 1.008000 0.423800 9.9772E-01 -4.7567E+00 -1.2967E+01 H2 2358 1.008000 0.423800 5.9809E-01 -5.6487E+00 -1.4275E+01 O6 2359 15.999400 -0.847600 1.4942E+01 1.8168E+01 1.1248E+01 H1 2360 1.008000 0.423800 1.5133E+01 1.8805E+01 1.0501E+01 H2 2361 1.008000 0.423800 1.5787E+01 1.7978E+01 1.1749E+01 O6 2362 15.999400 -0.847600 -5.0061E+00 1.2415E+01 -2.7605E+00 H1 2363 1.008000 0.423800 -5.3687E+00 1.1530E+01 -3.0538E+00 H2 2364 1.008000 0.423800 -5.7607E+00 1.3058E+01 -2.6335E+00 O6 2365 15.999400 -0.847600 1.9194E+01 1.0854E+01 -1.7302E+01 H1 2366 1.008000 0.423800 1.9214E+01 1.1196E+01 -1.8242E+01 H2 2367 1.008000 0.423800 -1.9011E+01 1.0469E+01 -1.7069E+01 O6 2368 15.999400 -0.847600 -4.5201E-01 -1.4489E+01 -1.9789E+00 H1 2369 1.008000 0.423800 2.5551E-01 -1.4643E+01 -1.2893E+00 H2 2370 1.008000 0.423800 -1.3403E+00 -1.4394E+01 -1.5296E+00 O6 2371 15.999400 -0.847600 -7.4440E+00 3.9292E+00 1.4389E+01 H1 2372 1.008000 0.423800 -7.4916E+00 2.9322E+00 1.4450E+01 H2 2373 1.008000 0.423800 -7.6395E+00 4.3276E+00 1.5285E+01 O6 2374 15.999400 -0.847600 3.6730E+00 3.6410E+00 -2.2057E+00 H1 2375 1.008000 0.423800 3.0217E+00 2.8983E+00 -2.3614E+00 H2 2376 1.008000 0.423800 4.4260E+00 3.3100E+00 -1.6369E+00 O6 2377 15.999400 -0.847600 -1.2082E+01 1.0758E+01 1.1645E+01 H1 2378 1.008000 0.423800 -1.1914E+01 1.0061E+01 1.2342E+01 H2 2379 1.008000 0.423800 -1.2954E+01 1.1210E+01 1.1830E+01 O6 2380 15.999400 -0.847600 -8.3278E+00 -1.0297E+01 -1.4049E+01 H1 2381 1.008000 0.423800 -7.7113E+00 -1.1057E+01 -1.4252E+01 H2 2382 1.008000 0.423800 -8.8062E+00 -1.0023E+01 -1.4883E+01 O6 2383 15.999400 -0.847600 1.2733E+01 1.5927E+01 3.4460E+00 H1 2384 1.008000 0.423800 1.2271E+01 1.5051E+01 3.5874E+00 H2 2385 1.008000 0.423800 1.3207E+01 1.5915E+01 2.5650E+00 O6 2386 15.999400 -0.847600 5.7099E+00 9.9869E+00 6.7500E+00 H1 2387 1.008000 0.423800 5.5546E+00 1.0382E+01 7.6554E+00 H2 2388 1.008000 0.423800 5.8582E+00 9.0018E+00 6.8373E+00 O6 2389 15.999400 -0.847600 -1.7717E+01 -9.7358E+00 -1.2482E+01 H1 2390 1.008000 0.423800 -1.8437E+01 -1.0329E+01 -1.2123E+01 H2 2391 1.008000 0.423800 -1.6838E+01 -1.0003E+01 -1.2088E+01 O6 2392 15.999400 -0.847600 1.3027E+01 -2.3978E+00 -4.2696E-01 H1 2393 1.008000 0.423800 1.3911E+01 -2.8648E+00 -4.2552E-01 H2 2394 1.008000 0.423800 1.2557E+01 -2.5779E+00 -1.2907E+00 O6 2395 15.999400 -0.847600 8.0578E+00 -4.0965E+00 -6.3900E+00 H1 2396 1.008000 0.423800 8.7669E+00 -4.2426E+00 -7.0798E+00 H2 2397 1.008000 0.423800 8.4188E+00 -4.3282E+00 -5.4867E+00 O6 2398 15.999400 -0.847600 -6.7322E+00 6.0360E+00 -8.8949E-01 H1 2399 1.008000 0.423800 -7.3247E+00 6.8096E+00 -6.6460E-01 H2 2400 1.008000 0.423800 -6.4431E+00 5.5817E+00 -4.6885E-02 O6 2401 15.999400 -0.847600 -9.7005E+00 3.4424E+00 4.9206E-03 H1 2402 1.008000 0.423800 -1.0164E+01 4.2224E+00 -4.1562E-01 H2 2403 1.008000 0.423800 -8.9837E+00 3.1104E+00 -6.0833E-01 O6 2404 15.999400 -0.847600 1.6810E+01 -3.7170E-01 -3.3223E+00 H1 2405 1.008000 0.423800 1.6651E+01 -1.3554E+00 -3.4078E+00 H2 2406 1.008000 0.423800 1.6927E+01 -1.3566E-01 -2.3577E+00 O6 2407 15.999400 -0.847600 -7.3156E+00 1.2606E+01 -5.8099E+00 H1 2408 1.008000 0.423800 -7.5341E+00 1.1631E+01 -5.7927E+00 H2 2409 1.008000 0.423800 -7.1000E+00 1.2916E+01 -4.8838E+00 O6 2410 15.999400 -0.847600 -1.4326E+01 3.7249E+00 -1.3831E+01 H1 2411 1.008000 0.423800 -1.4455E+01 3.3263E+00 -1.2923E+01 H2 2412 1.008000 0.423800 -1.3841E+01 4.5956E+00 -1.3747E+01 O6 2413 15.999400 -0.847600 -1.0835E+01 1.3502E+01 5.1403E+00 H1 2414 1.008000 0.423800 -1.1047E+01 1.2917E+01 4.3572E+00 H2 2415 1.008000 0.423800 -1.0538E+01 1.4399E+01 4.8152E+00 O6 2416 15.999400 -0.847600 -5.7389E+00 -2.8811E+00 4.4563E+00 H1 2417 1.008000 0.423800 -5.7887E+00 -2.9813E+00 5.4500E+00 H2 2418 1.008000 0.423800 -4.8176E+00 -2.5922E+00 4.1962E+00 O6 2419 15.999400 -0.847600 1.4784E+01 -6.1593E+00 8.4420E+00 H1 2420 1.008000 0.423800 1.5539E+01 -6.5759E+00 8.9487E+00 H2 2421 1.008000 0.423800 1.3974E+01 -6.1144E+00 9.0273E+00 O6 2422 15.999400 -0.847600 -1.0428E+01 -1.1587E+01 9.3815E+00 H1 2423 1.008000 0.423800 -9.5090E+00 -1.1241E+01 9.5698E+00 H2 2424 1.008000 0.423800 -1.0665E+01 -1.1402E+01 8.4278E+00 O6 2425 15.999400 -0.847600 -1.2759E+01 2.6591E+00 -7.1181E+00 H1 2426 1.008000 0.423800 -1.2025E+01 2.0014E+00 -6.9482E+00 H2 2427 1.008000 0.423800 -1.2593E+01 3.4887E+00 -6.5851E+00 O6 2428 15.999400 -0.847600 1.9127E+01 -7.7467E+00 6.3585E-01 H1 2429 1.008000 0.423800 1.8197E+01 -7.8500E+00 9.8832E-01 H2 2430 1.008000 0.423800 -1.9390E+01 -7.3398E+00 1.3412E+00 O6 2431 15.999400 -0.847600 5.7056E+00 8.0277E+00 2.4159E+00 H1 2432 1.008000 0.423800 6.4004E+00 7.3591E+00 2.1508E+00 H2 2433 1.008000 0.423800 5.8018E+00 8.2405E+00 3.3883E+00 O6 2434 15.999400 -0.847600 8.9405E+00 -3.0369E+00 4.0940E+00 H1 2435 1.008000 0.423800 8.0203E+00 -3.4145E+00 3.9912E+00 H2 2436 1.008000 0.423800 9.2774E+00 -3.2263E+00 5.0163E+00 O6 2437 15.999400 -0.847600 1.5575E+01 -1.1612E+01 1.5651E+01 H1 2438 1.008000 0.423800 1.6515E+01 -1.1769E+01 1.5345E+01 H2 2439 1.008000 0.423800 1.4967E+01 -1.2273E+01 1.5212E+01 O6 2440 15.999400 -0.847600 -1.9328E+01 -4.7128E+00 1.5235E+01 H1 2441 1.008000 0.423800 -1.8925E+01 -4.8902E+00 1.6133E+01 H2 2442 1.008000 0.423800 1.8777E+01 -4.8274E+00 1.5286E+01 O6 2443 15.999400 -0.847600 -1.1103E+00 -1.8422E+01 -1.8678E+01 H1 2444 1.008000 0.423800 -6.8174E-01 -1.8479E+01 -1.7776E+01 H2 2445 1.008000 0.423800 -6.7475E-01 -1.9076E+01 -1.9296E+01 O6 2446 15.999400 -0.847600 3.4296E+00 3.1204E+00 1.0052E+01 H1 2447 1.008000 0.423800 4.3608E+00 2.7702E+00 1.0153E+01 H2 2448 1.008000 0.423800 3.3238E+00 3.5271E+00 9.1443E+00 O6 2449 15.999400 -0.847600 1.7024E+01 -1.6179E+01 -8.1336E+00 H1 2450 1.008000 0.423800 1.7808E+01 -1.5584E+01 -7.9565E+00 H2 2451 1.008000 0.423800 1.6275E+01 -1.5935E+01 -7.5175E+00 O6 2452 15.999400 -0.847600 -1.7608E+01 5.2133E+00 2.3487E+00 H1 2453 1.008000 0.423800 -1.8145E+01 5.7272E+00 3.0181E+00 H2 2454 1.008000 0.423800 -1.6877E+01 5.7941E+00 1.9912E+00 O6 2455 15.999400 -0.847600 -8.3277E+00 -1.7518E+00 -9.3020E+00 H1 2456 1.008000 0.423800 -7.7395E+00 -1.1296E+00 -8.7854E+00 H2 2457 1.008000 0.423800 -8.6074E+00 -2.5109E+00 -8.7142E+00 O6 2458 15.999400 -0.847600 -7.6932E+00 -1.2407E+01 5.4281E+00 H1 2459 1.008000 0.423800 -7.6513E+00 -1.2109E+01 4.4743E+00 H2 2460 1.008000 0.423800 -8.2266E+00 -1.3250E+01 5.4909E+00 O6 2461 15.999400 -0.847600 -1.6886E+01 1.5447E+01 -8.5348E+00 H1 2462 1.008000 0.423800 -1.6582E+01 1.4495E+01 -8.5192E+00 H2 2463 1.008000 0.423800 -1.6240E+01 1.6012E+01 -8.0217E+00 O6 2464 15.999400 -0.847600 -1.3262E+01 6.3862E+00 -9.1423E+00 H1 2465 1.008000 0.423800 -1.3195E+01 7.2861E+00 -9.5733E+00 H2 2466 1.008000 0.423800 -1.3161E+01 6.4828E+00 -8.1520E+00 O6 2467 15.999400 -0.847600 -1.9360E+01 1.5899E+01 -1.6349E+01 H1 2468 1.008000 0.423800 1.8920E+01 1.6431E+01 -1.6571E+01 H2 2469 1.008000 0.423800 -1.8610E+01 1.6520E+01 -1.6121E+01 O6 2470 15.999400 -0.847600 1.1733E+01 3.4420E-01 -6.1998E+00 H1 2471 1.008000 0.423800 1.1646E+01 -6.5170E-01 -6.2236E+00 H2 2472 1.008000 0.423800 1.2665E+01 6.0303E-01 -6.4542E+00 O6 2473 15.999400 -0.847600 -6.3422E-01 1.0221E+01 -2.3015E+00 H1 2474 1.008000 0.423800 2.0902E-01 1.0752E+01 -2.2202E+00 H2 2475 1.008000 0.423800 -1.3141E+00 1.0574E+01 -1.6590E+00 O6 2476 15.999400 -0.847600 -6.1962E+00 -3.3536E-01 -4.4348E+00 H1 2477 1.008000 0.423800 -5.8863E+00 5.3539E-01 -4.8166E+00 H2 2478 1.008000 0.423800 -5.4482E+00 -9.9826E-01 -4.4666E+00 O6 2479 15.999400 -0.847600 3.5573E+00 1.6157E+01 9.4768E+00 H1 2480 1.008000 0.423800 4.1746E+00 1.5712E+01 1.0126E+01 H2 2481 1.008000 0.423800 4.0932E+00 1.6616E+01 8.7686E+00 O6 2482 15.999400 -0.847600 -9.0457E+00 1.2519E+01 -8.3541E+00 H1 2483 1.008000 0.423800 -8.5364E+00 1.2413E+01 -7.5001E+00 H2 2484 1.008000 0.423800 -8.5689E+00 1.3168E+01 -8.9478E+00 O6 2485 15.999400 -0.847600 1.4571E+01 7.6765E+00 -1.9462E+01 H1 2486 1.008000 0.423800 1.4861E+01 7.2623E+00 -1.8599E+01 H2 2487 1.008000 0.423800 1.3717E+01 7.2536E+00 1.9334E+01 O6 2488 15.999400 -0.847600 -7.5598E+00 -9.7050E+00 -1.8474E+00 H1 2489 1.008000 0.423800 -8.0241E+00 -9.0301E+00 -1.2738E+00 H2 2490 1.008000 0.423800 -6.8220E+00 -1.0134E+01 -1.3263E+00 O6 2491 15.999400 -0.847600 -7.2781E+00 9.0296E+00 -8.1902E-01 H1 2492 1.008000 0.423800 -6.6418E+00 9.2986E+00 -9.5987E-02 H2 2493 1.008000 0.423800 -8.0497E+00 9.6655E+00 -8.3752E-01 O6 2494 15.999400 -0.847600 8.1574E+00 -1.4810E+01 -6.5947E+00 H1 2495 1.008000 0.423800 8.1064E+00 -1.4029E+01 -5.9715E+00 H2 2496 1.008000 0.423800 7.5400E+00 -1.5530E+01 -6.2781E+00 O6 2497 15.999400 -0.847600 -1.6358E+01 -1.1893E+01 1.1254E+01 H1 2498 1.008000 0.423800 -1.6783E+01 -1.2071E+01 1.0367E+01 H2 2499 1.008000 0.423800 -1.5473E+01 -1.2355E+01 1.1299E+01 O6 2500 15.999400 -0.847600 4.9720E-01 5.5894E+00 7.7771E+00 H1 2501 1.008000 0.423800 -1.9016E-01 5.4537E+00 8.4907E+00 H2 2502 1.008000 0.423800 4.9563E-02 5.6121E+00 6.8832E+00 O6 2503 15.999400 -0.847600 6.0110E+00 -1.3375E+00 -1.8823E+01 H1 2504 1.008000 0.423800 6.6357E+00 -1.0257E+00 -1.8107E+01 H2 2505 1.008000 0.423800 6.2302E+00 -2.2817E+00 -1.9068E+01 O6 2506 15.999400 -0.847600 -9.7849E+00 8.2004E-01 1.5924E+01 H1 2507 1.008000 0.423800 -1.0629E+01 7.1810E-01 1.6450E+01 H2 2508 1.008000 0.423800 -9.0021E+00 8.1606E-01 1.6547E+01 O6 2509 15.999400 -0.847600 -1.6482E+01 -4.9352E+00 -1.7928E+01 H1 2510 1.008000 0.423800 -1.6140E+01 -4.6762E+00 -1.7025E+01 H2 2511 1.008000 0.423800 -1.6144E+01 -5.8468E+00 -1.8164E+01 O6 2512 15.999400 -0.847600 -8.5144E-01 -1.5651E+01 1.4400E+01 H1 2513 1.008000 0.423800 -1.3388E-01 -1.5788E+01 1.3717E+01 H2 2514 1.008000 0.423800 -9.9770E-01 -1.4671E+01 1.4538E+01 O6 2515 15.999400 -0.847600 -8.0594E+00 -1.3081E+01 -2.4142E+00 H1 2516 1.008000 0.423800 -7.2018E+00 -1.2744E+01 -2.0264E+00 H2 2517 1.008000 0.423800 -8.0977E+00 -1.2854E+01 -3.3872E+00 O6 2518 15.999400 -0.847600 1.3051E+01 -1.2538E+01 -1.2576E+01 H1 2519 1.008000 0.423800 1.3112E+01 -1.1963E+01 -1.3392E+01 H2 2520 1.008000 0.423800 1.2165E+01 -1.3001E+01 -1.2560E+01 O6 2521 15.999400 -0.847600 -9.6201E+00 -1.2104E+01 1.8067E+01 H1 2522 1.008000 0.423800 -9.5039E+00 -1.1248E+01 1.8570E+01 H2 2523 1.008000 0.423800 -1.0503E+01 -1.2098E+01 1.7598E+01 O6 2524 15.999400 -0.847600 -1.0945E+01 -1.1833E+00 -9.2590E+00 H1 2525 1.008000 0.423800 -1.1379E+01 -8.3015E-01 -1.0088E+01 H2 2526 1.008000 0.423800 -9.9524E+00 -1.0876E+00 -9.3354E+00 O6 2527 15.999400 -0.847600 -1.5543E+01 -5.9865E-01 -1.3313E+01 H1 2528 1.008000 0.423800 -1.4642E+01 -5.5373E-01 -1.3745E+01 H2 2529 1.008000 0.423800 -1.5713E+01 -1.5307E+00 -1.2993E+01 O6 2530 15.999400 -0.847600 8.3195E+00 -9.5717E+00 2.7333E+00 H1 2531 1.008000 0.423800 7.8609E+00 -1.0455E+01 2.8343E+00 H2 2532 1.008000 0.423800 9.0378E+00 -9.4883E+00 3.4240E+00 O6 2533 15.999400 -0.847600 -4.9059E+00 -1.2679E+01 1.5938E+01 H1 2534 1.008000 0.423800 -5.5230E+00 -1.2488E+01 1.6702E+01 H2 2535 1.008000 0.423800 -4.7693E+00 -1.3666E+01 1.5858E+01 O6 2536 15.999400 -0.847600 3.8728E+00 -2.5704E+00 1.6310E+01 H1 2537 1.008000 0.423800 3.1813E+00 -2.2539E+00 1.5661E+01 H2 2538 1.008000 0.423800 3.4419E+00 -2.7513E+00 1.7194E+01 O6 2539 15.999400 -0.847600 1.3989E+01 9.3351E+00 8.5678E+00 H1 2540 1.008000 0.423800 1.4279E+01 9.4636E+00 9.5162E+00 H2 2541 1.008000 0.423800 1.4646E+01 9.7755E+00 7.9559E+00 O6 2542 15.999400 -0.847600 1.1877E+01 9.2015E+00 1.8609E+00 H1 2543 1.008000 0.423800 1.1570E+01 9.8033E+00 1.1237E+00 H2 2544 1.008000 0.423800 1.2872E+01 9.1118E+00 1.8248E+00 O6 2545 15.999400 -0.847600 -7.4901E-01 -7.6577E+00 -8.4191E+00 H1 2546 1.008000 0.423800 -1.7052E+00 -7.9047E+00 -8.2618E+00 H2 2547 1.008000 0.423800 -6.4599E-01 -7.2978E+00 -9.3464E+00 O6 2548 15.999400 -0.847600 -1.4510E+00 1.6067E+01 -1.1133E+01 H1 2549 1.008000 0.423800 -2.1852E+00 1.5972E+01 -1.0460E+01 H2 2550 1.008000 0.423800 -1.4476E+00 1.5271E+01 -1.1738E+01 O6 2551 15.999400 -0.847600 1.2692E+01 -1.3634E+01 8.0040E+00 H1 2552 1.008000 0.423800 1.2437E+01 -1.2668E+01 8.0479E+00 H2 2553 1.008000 0.423800 1.3688E+01 -1.3717E+01 8.0306E+00 O6 2554 15.999400 -0.847600 2.7810E+00 -8.0279E-01 2.1479E+00 H1 2555 1.008000 0.423800 1.7971E+00 -9.1670E-01 2.2861E+00 H2 2556 1.008000 0.423800 3.2282E+00 -6.6695E-01 3.0319E+00 O6 2557 15.999400 -0.847600 -1.5424E+01 -1.3272E+01 1.7535E+01 H1 2558 1.008000 0.423800 -1.5051E+01 -1.3753E+01 1.6742E+01 H2 2559 1.008000 0.423800 -1.4682E+01 -1.3036E+01 1.8162E+01 O6 2560 15.999400 -0.847600 7.0851E+00 1.7749E+01 -6.8370E+00 H1 2561 1.008000 0.423800 6.2890E+00 1.7388E+01 -7.3225E+00 H2 2562 1.008000 0.423800 7.8103E+00 1.7956E+01 -7.4937E+00 O6 2563 15.999400 -0.847600 -1.2083E+01 1.9170E+01 1.0541E+01 H1 2564 1.008000 0.423800 -1.1953E+01 1.8485E+01 9.8237E+00 H2 2565 1.008000 0.423800 -1.2917E+01 1.8963E+01 1.1052E+01 O6 2566 15.999400 -0.847600 1.4464E+01 -7.6144E+00 6.1195E+00 H1 2567 1.008000 0.423800 1.3815E+01 -7.1307E+00 5.5326E+00 H2 2568 1.008000 0.423800 1.4583E+01 -7.1071E+00 6.9730E+00 O6 2569 15.999400 -0.847600 -1.3195E+00 6.8806E+00 -1.2103E+01 H1 2570 1.008000 0.423800 -3.5892E-01 7.1236E+00 -1.2238E+01 H2 2571 1.008000 0.423800 -1.8554E+00 7.1908E+00 -1.2888E+01 O6 2572 15.999400 -0.847600 -8.9006E+00 -9.6115E+00 4.6926E+00 H1 2573 1.008000 0.423800 -9.6755E+00 -9.4991E+00 4.0705E+00 H2 2574 1.008000 0.423800 -8.1057E+00 -9.9356E+00 4.1796E+00 O6 2575 15.999400 -0.847600 1.0103E+01 1.2050E+00 1.2647E+00 H1 2576 1.008000 0.423800 1.0450E+01 1.8326E+00 5.6768E-01 H2 2577 1.008000 0.423800 1.0761E+01 4.6577E-01 1.4049E+00 O6 2578 15.999400 -0.847600 -8.5009E+00 1.6406E+01 1.3904E+01 H1 2579 1.008000 0.423800 -9.1074E+00 1.6501E+01 1.4694E+01 H2 2580 1.008000 0.423800 -7.9219E+00 1.7218E+01 1.3830E+01 O6 2581 15.999400 -0.847600 1.3682E+01 3.9994E+00 1.3725E+01 H1 2582 1.008000 0.423800 1.3733E+01 4.6560E+00 1.4478E+01 H2 2583 1.008000 0.423800 1.2971E+01 3.3238E+00 1.3920E+01 O6 2584 15.999400 -0.847600 1.9106E+01 2.0501E+00 -1.7248E+01 H1 2585 1.008000 0.423800 1.8563E+01 2.4221E+00 -1.8001E+01 H2 2586 1.008000 0.423800 -1.9220E+01 2.6581E+00 -1.7062E+01 O6 2587 15.999400 -0.847600 1.3776E+01 -3.7303E+00 5.5806E+00 H1 2588 1.008000 0.423800 1.4561E+01 -4.0458E+00 6.1141E+00 H2 2589 1.008000 0.423800 1.3154E+01 -4.4961E+00 5.4187E+00 O6 2590 15.999400 -0.847600 3.7093E+00 1.0334E+01 -1.2792E+01 H1 2591 1.008000 0.423800 4.0645E+00 1.1229E+01 -1.2520E+01 H2 2592 1.008000 0.423800 3.9237E+00 9.6612E+00 -1.2084E+01 O6 2593 15.999400 -0.847600 -5.7411E+00 4.5016E+00 1.7718E+01 H1 2594 1.008000 0.423800 -5.6113E+00 3.6636E+00 1.7187E+01 H2 2595 1.008000 0.423800 -4.8553E+00 4.9399E+00 1.7870E+01 O6 2596 15.999400 -0.847600 -4.8519E+00 7.5521E+00 7.1268E+00 H1 2597 1.008000 0.423800 -4.4067E+00 7.1108E+00 6.3477E+00 H2 2598 1.008000 0.423800 -4.1795E+00 8.0926E+00 7.6326E+00 O6 2599 15.999400 -0.847600 -1.5099E+01 1.3063E+01 -4.3246E+00 H1 2600 1.008000 0.423800 -1.4415E+01 1.2335E+01 -4.2715E+00 H2 2601 1.008000 0.423800 -1.5631E+01 1.3082E+01 -3.4781E+00 O6 2602 15.999400 -0.847600 -4.3501E+00 -1.6284E+01 -1.8248E+01 H1 2603 1.008000 0.423800 -3.9778E+00 -1.6599E+01 -1.7375E+01 H2 2604 1.008000 0.423800 -3.9112E+00 -1.6781E+01 -1.8996E+01 O6 2605 15.999400 -0.847600 -1.9100E+01 1.5859E+01 1.7514E+01 H1 2606 1.008000 0.423800 1.9161E+01 1.6378E+01 1.7337E+01 H2 2607 1.008000 0.423800 -1.8991E+01 1.5729E+01 1.8500E+01 O6 2608 15.999400 -0.847600 1.7420E+01 8.8342E+00 9.1952E+00 H1 2609 1.008000 0.423800 1.8202E+01 8.8913E+00 9.8149E+00 H2 2610 1.008000 0.423800 1.6572E+01 8.9070E+00 9.7211E+00 O6 2611 15.999400 -0.847600 7.8380E-01 1.1158E+01 -7.6140E+00 H1 2612 1.008000 0.423800 1.5652E+00 1.1116E+01 -8.2366E+00 H2 2613 1.008000 0.423800 9.3357E-01 1.0532E+01 -6.8483E+00 O6 2614 15.999400 -0.847600 5.7767E+00 -1.5730E+01 1.7742E+01 H1 2615 1.008000 0.423800 6.6038E+00 -1.5962E+01 1.7230E+01 H2 2616 1.008000 0.423800 5.1575E+00 -1.6515E+01 1.7748E+01 O6 2617 15.999400 -0.847600 1.5554E+00 1.4016E+01 -5.4679E+00 H1 2618 1.008000 0.423800 2.1119E+00 1.3209E+01 -5.2727E+00 H2 2619 1.008000 0.423800 9.6495E-01 1.4211E+01 -4.6847E+00 O6 2620 15.999400 -0.847600 8.4599E+00 1.9396E+01 -1.3927E+00 H1 2621 1.008000 0.423800 8.1160E+00 1.8864E+01 -2.1667E+00 H2 2622 1.008000 0.423800 9.3263E+00 1.9007E+01 -1.0797E+00 O6 2623 15.999400 -0.847600 9.2049E-02 1.6923E+01 -3.3969E+00 H1 2624 1.008000 0.423800 8.6614E-01 1.7018E+01 -4.0228E+00 H2 2625 1.008000 0.423800 2.6622E-01 1.6169E+01 -2.7638E+00 O6 2626 15.999400 -0.847600 1.0931E+01 7.2004E+00 -1.1116E+01 H1 2627 1.008000 0.423800 1.1598E+01 6.9898E+00 -1.1832E+01 H2 2628 1.008000 0.423800 1.0510E+01 8.0879E+00 -1.1304E+01 O6 2629 15.999400 -0.847600 -1.7290E+01 -8.5710E+00 -1.4990E+01 H1 2630 1.008000 0.423800 -1.6678E+01 -7.8240E+00 -1.4729E+01 H2 2631 1.008000 0.423800 -1.7570E+01 -9.0723E+00 -1.4171E+01 O6 2632 15.999400 -0.847600 -3.5884E+00 1.5600E-01 1.0577E+01 H1 2633 1.008000 0.423800 -3.5932E+00 1.1474E+00 1.0708E+01 H2 2634 1.008000 0.423800 -3.5287E+00 -2.9719E-01 1.1466E+01 O6 2635 15.999400 -0.847600 1.1942E+01 -1.9156E+01 5.7512E+00 H1 2636 1.008000 0.423800 1.2527E+01 -1.8411E+01 6.0702E+00 H2 2637 1.008000 0.423800 1.2452E+01 1.9368E+01 5.1109E+00 O6 2638 15.999400 -0.847600 -1.1872E+01 -1.8176E+01 -1.4488E+01 H1 2639 1.008000 0.423800 -1.1994E+01 -1.7597E+01 -1.3682E+01 H2 2640 1.008000 0.423800 -1.1661E+01 -1.9110E+01 -1.4199E+01 O6 2641 15.999400 -0.847600 8.4939E+00 1.0754E+01 2.7698E+00 H1 2642 1.008000 0.423800 7.6319E+00 1.1227E+01 2.9532E+00 H2 2643 1.008000 0.423800 9.0467E+00 1.1301E+01 2.1411E+00 O6 2644 15.999400 -0.847600 6.6705E-01 -6.1552E+00 -6.6083E+00 H1 2645 1.008000 0.423800 6.6049E-01 -5.3039E+00 -7.1329E+00 H2 2646 1.008000 0.423800 8.4277E-03 -6.7954E+00 -7.0037E+00 O6 2647 15.999400 -0.847600 -1.1977E+01 1.5420E+01 -1.3402E+01 H1 2648 1.008000 0.423800 -1.2714E+01 1.5727E+01 -1.2800E+01 H2 2649 1.008000 0.423800 -1.1184E+01 1.5158E+01 -1.2852E+01 O6 2650 15.999400 -0.847600 -2.3497E+00 1.2991E+01 1.3528E+01 H1 2651 1.008000 0.423800 -2.7169E+00 1.3813E+01 1.3092E+01 H2 2652 1.008000 0.423800 -2.9615E+00 1.2220E+01 1.3354E+01 O6 2653 15.999400 -0.847600 -7.6425E+00 -4.0141E+00 1.6452E+01 H1 2654 1.008000 0.423800 -6.9706E+00 -3.4926E+00 1.5926E+01 H2 2655 1.008000 0.423800 -8.5647E+00 -3.7431E+00 1.6176E+01 O6 2656 15.999400 -0.847600 -1.1967E+01 4.3642E+00 1.1514E+01 H1 2657 1.008000 0.423800 -1.2111E+01 5.3472E+00 1.1400E+01 H2 2658 1.008000 0.423800 -1.1035E+01 4.1991E+00 1.1837E+01 O6 2659 15.999400 -0.847600 -1.8553E+01 1.3680E+01 -1.4922E+01 H1 2660 1.008000 0.423800 -1.8721E+01 1.4469E+01 -1.5512E+01 H2 2661 1.008000 0.423800 -1.9394E+01 1.3147E+01 -1.4829E+01 O6 2662 15.999400 -0.847600 -1.7254E+01 1.1981E+01 1.9519E+01 H1 2663 1.008000 0.423800 -1.7887E+01 1.2630E+01 1.9096E+01 H2 2664 1.008000 0.423800 -1.6315E+01 1.2298E+01 1.9389E+01 O6 2665 15.999400 -0.847600 -2.2679E+00 1.1146E+01 -1.2925E+01 H1 2666 1.008000 0.423800 -1.3456E+00 1.0996E+01 -1.3281E+01 H2 2667 1.008000 0.423800 -2.2146E+00 1.1649E+01 -1.2063E+01 O6 2668 15.999400 -0.847600 -6.0297E+00 1.1574E+01 -1.2881E+01 H1 2669 1.008000 0.423800 -6.9357E+00 1.1160E+01 -1.2791E+01 H2 2670 1.008000 0.423800 -5.9841E+00 1.2401E+01 -1.2321E+01 O6 2671 15.999400 -0.847600 1.6108E+01 8.1660E+00 1.3790E+01 H1 2672 1.008000 0.423800 1.5967E+01 7.3142E+00 1.3285E+01 H2 2673 1.008000 0.423800 1.5468E+01 8.2088E+00 1.4557E+01 O6 2674 15.999400 -0.847600 -1.7513E+01 -1.4668E+01 -4.3443E+00 H1 2675 1.008000 0.423800 -1.7083E+01 -1.5506E+01 -4.0103E+00 H2 2676 1.008000 0.423800 -1.8337E+01 -1.4899E+01 -4.8628E+00 O6 2677 15.999400 -0.847600 9.9521E+00 -6.7023E+00 -1.7176E+01 H1 2678 1.008000 0.423800 9.1336E+00 -6.1831E+00 -1.6930E+01 H2 2679 1.008000 0.423800 9.9403E+00 -6.8976E+00 -1.8157E+01 O6 2680 15.999400 -0.847600 -1.3783E+01 -2.3812E+00 6.0756E+00 H1 2681 1.008000 0.423800 -1.3653E+01 -1.4126E+00 5.8633E+00 H2 2682 1.008000 0.423800 -1.4414E+01 -2.4717E+00 6.8464E+00 O6 2683 15.999400 -0.847600 6.4850E+00 5.8846E+00 1.8613E+01 H1 2684 1.008000 0.423800 6.3919E+00 5.5617E+00 1.7671E+01 H2 2685 1.008000 0.423800 7.2309E+00 6.5484E+00 1.8666E+01 O6 2686 15.999400 -0.847600 -9.9417E+00 1.4740E+01 -1.1706E+01 H1 2687 1.008000 0.423800 -9.9885E+00 1.5163E+01 -1.0801E+01 H2 2688 1.008000 0.423800 -9.2367E+00 1.5194E+01 -1.2251E+01 O6 2689 15.999400 -0.847600 1.7704E+01 1.2708E+01 1.0486E+00 H1 2690 1.008000 0.423800 1.8338E+01 1.2604E+01 2.8284E-01 H2 2691 1.008000 0.423800 1.7017E+01 1.1982E+01 1.0125E+00 O6 2692 15.999400 -0.847600 1.4737E+01 -1.0946E+01 3.5531E+00 H1 2693 1.008000 0.423800 1.3873E+01 -1.0868E+01 4.0506E+00 H2 2694 1.008000 0.423800 1.5498E+01 -1.0936E+01 4.2024E+00 O6 2695 15.999400 -0.847600 8.4463E+00 -1.6174E+01 4.2711E+00 H1 2696 1.008000 0.423800 9.2505E+00 -1.6764E+01 4.3451E+00 H2 2697 1.008000 0.423800 7.9360E+00 -1.6409E+01 3.4437E+00 O6 2698 15.999400 -0.847600 -2.9832E+00 -1.7703E+00 -1.6438E+01 H1 2699 1.008000 0.423800 -2.6989E+00 -2.4969E+00 -1.7063E+01 H2 2700 1.008000 0.423800 -3.4554E+00 -2.1719E+00 -1.5653E+01 O6 2701 15.999400 -0.847600 6.7620E+00 1.3892E+01 -3.9858E+00 H1 2702 1.008000 0.423800 7.7549E+00 1.3859E+01 -3.8713E+00 H2 2703 1.008000 0.423800 6.5398E+00 1.4387E+01 -4.8258E+00 O6 2704 15.999400 -0.847600 1.0805E+01 -1.1240E+01 -5.0211E+00 H1 2705 1.008000 0.423800 1.0873E+01 -1.0255E+01 -4.8633E+00 H2 2706 1.008000 0.423800 1.1505E+01 -1.1521E+01 -5.6776E+00 O6 2707 15.999400 -0.847600 -1.0334E+01 7.0552E+00 -1.2616E+01 H1 2708 1.008000 0.423800 -9.3416E+00 6.9956E+00 -1.2512E+01 H2 2709 1.008000 0.423800 -1.0617E+01 6.5314E+00 -1.3420E+01 O6 2710 15.999400 -0.847600 1.6547E+00 1.8936E+01 -1.6461E+01 H1 2711 1.008000 0.423800 1.6157E+00 1.8465E+01 -1.7342E+01 H2 2712 1.008000 0.423800 1.4318E+00 1.8292E+01 -1.5729E+01 O6 2713 15.999400 -0.847600 -1.0504E+01 9.2834E+00 -8.5430E+00 H1 2714 1.008000 0.423800 -1.1004E+01 9.0198E+00 -9.3676E+00 H2 2715 1.008000 0.423800 -1.0793E+01 1.0196E+01 -8.2550E+00 O6 2716 15.999400 -0.847600 1.5413E+01 1.4187E+01 -2.7713E+00 H1 2717 1.008000 0.423800 1.6408E+01 1.4123E+01 -2.7038E+00 H2 2718 1.008000 0.423800 1.5168E+01 1.4917E+01 -3.4095E+00 O6 2719 15.999400 -0.847600 -4.5522E+00 5.3997E+00 -2.5661E+00 H1 2720 1.008000 0.423800 -5.3582E+00 5.5024E+00 -1.9832E+00 H2 2721 1.008000 0.423800 -4.2299E+00 6.3023E+00 -2.8513E+00 O6 2722 15.999400 -0.847600 -1.8746E+01 -4.8339E+00 -1.3771E+01 H1 2723 1.008000 0.423800 1.9358E+01 -4.9407E+00 -1.3810E+01 H2 2724 1.008000 0.423800 -1.8348E+01 -5.6022E+00 -1.3270E+01 O6 2725 15.999400 -0.847600 1.3970E+01 2.8664E+00 -1.7233E+01 H1 2726 1.008000 0.423800 1.3500E+01 2.0104E+00 -1.7017E+01 H2 2727 1.008000 0.423800 1.4563E+01 3.1225E+00 -1.6469E+01 O6 2728 15.999400 -0.847600 -1.7584E+01 8.2466E-01 8.5336E-01 H1 2729 1.008000 0.423800 -1.7775E+01 7.5312E-01 1.8324E+00 H2 2730 1.008000 0.423800 -1.7672E+01 1.7783E+00 5.6547E-01 O6 2731 15.999400 -0.847600 4.6043E+00 -1.0369E+01 -1.0065E+01 H1 2732 1.008000 0.423800 4.2502E+00 -9.6442E+00 -9.4740E+00 H2 2733 1.008000 0.423800 5.5788E+00 -1.0501E+01 -9.8838E+00 O6 2734 15.999400 -0.847600 1.4597E+00 -4.3565E+00 -1.0064E+01 H1 2735 1.008000 0.423800 4.8751E-01 -4.1233E+00 -1.0087E+01 H2 2736 1.008000 0.423800 1.8206E+00 -4.1932E+00 -9.1460E+00 O6 2737 15.999400 -0.847600 -1.3443E+01 -9.7842E+00 -1.3508E+01 H1 2738 1.008000 0.423800 -1.2538E+01 -9.6935E+00 -1.3092E+01 H2 2739 1.008000 0.423800 -1.3750E+01 -1.0733E+01 -1.3433E+01 O6 2740 15.999400 -0.847600 2.3329E+00 1.8737E+01 4.8964E+00 H1 2741 1.008000 0.423800 1.6664E+00 1.9262E+01 4.3674E+00 H2 2742 1.008000 0.423800 3.1329E+00 1.8545E+01 4.3280E+00 O6 2743 15.999400 -0.847600 -8.9985E+00 1.3730E+01 1.7583E+01 H1 2744 1.008000 0.423800 -8.9717E+00 1.4383E+01 1.8341E+01 H2 2745 1.008000 0.423800 -8.5334E+00 1.2887E+01 1.7853E+01 O6 2746 15.999400 -0.847600 -1.1956E+00 1.8578E+01 -1.2465E+01 H1 2747 1.008000 0.423800 -1.2755E+00 1.7759E+01 -1.1896E+01 H2 2748 1.008000 0.423800 -1.2635E+00 1.9392E+01 -1.1888E+01 O6 2749 15.999400 -0.847600 -4.0837E+00 1.6907E+01 2.8553E+00 H1 2750 1.008000 0.423800 -3.1564E+00 1.6890E+01 2.4814E+00 H2 2751 1.008000 0.423800 -4.1088E+00 1.7504E+01 3.6574E+00 O6 2752 15.999400 -0.847600 6.8924E+00 1.0672E+01 1.3955E+01 H1 2753 1.008000 0.423800 6.4944E+00 1.1100E+01 1.3144E+01 H2 2754 1.008000 0.423800 7.8018E+00 1.1053E+01 1.4121E+01 O6 2755 15.999400 -0.847600 6.8730E+00 -1.4579E+00 -6.3390E+00 H1 2756 1.008000 0.423800 7.1860E+00 -2.4054E+00 -6.2739E+00 H2 2757 1.008000 0.423800 7.6564E+00 -8.4174E-01 -6.2577E+00 O6 2758 15.999400 -0.847600 -1.0645E+01 -7.1848E+00 -9.2682E+00 H1 2759 1.008000 0.423800 -1.0089E+01 -7.0488E+00 -8.4487E+00 H2 2760 1.008000 0.423800 -1.1018E+01 -6.3063E+00 -9.5676E+00 O6 2761 15.999400 -0.847600 1.2895E+01 -6.4723E+00 4.3568E+00 H1 2762 1.008000 0.423800 1.3123E+01 -6.0971E+00 3.4584E+00 H2 2763 1.008000 0.423800 1.2019E+01 -6.9512E+00 4.3052E+00 O6 2764 15.999400 -0.847600 1.9174E+01 -1.4571E+01 1.6654E+01 H1 2765 1.008000 0.423800 1.8817E+01 -1.4154E+01 1.7490E+01 H2 2766 1.008000 0.423800 -1.9531E+01 -1.5465E+01 1.6868E+01 O6 2767 15.999400 -0.847600 7.0203E-01 3.9871E+00 -1.0708E+01 H1 2768 1.008000 0.423800 -1.9068E-02 3.5308E+00 -1.1230E+01 H2 2769 1.008000 0.423800 3.5357E-01 4.8501E+00 -1.0343E+01 O6 2770 15.999400 -0.847600 2.9649E+00 4.6743E+00 7.9762E+00 H1 2771 1.008000 0.423800 3.1809E+00 4.5655E+00 7.0059E+00 H2 2772 1.008000 0.423800 1.9882E+00 4.8614E+00 8.0812E+00 O6 2773 15.999400 -0.847600 -3.9235E+00 7.6272E+00 1.8518E+01 H1 2774 1.008000 0.423800 -4.3529E+00 8.5162E+00 1.8677E+01 H2 2775 1.008000 0.423800 -3.3095E+00 7.6896E+00 1.7731E+01 O6 2776 15.999400 -0.847600 1.0493E+01 -6.9194E+00 -2.0845E+00 H1 2777 1.008000 0.423800 1.1035E+01 -6.6446E+00 -2.8790E+00 H2 2778 1.008000 0.423800 9.6101E+00 -7.2759E+00 -2.3900E+00 O6 2779 15.999400 -0.847600 5.1934E+00 -1.2297E+01 1.0536E+01 H1 2780 1.008000 0.423800 4.3078E+00 -1.2672E+01 1.0260E+01 H2 2781 1.008000 0.423800 5.3207E+00 -1.1399E+01 1.0115E+01 O6 2782 15.999400 -0.847600 -1.8835E+01 -1.6657E+01 1.1788E+01 H1 2783 1.008000 0.423800 1.9284E+01 -1.6855E+01 1.1842E+01 H2 2784 1.008000 0.423800 -1.8679E+01 -1.5690E+01 1.1989E+01 O6 2785 15.999400 -0.847600 -3.4213E-01 1.1033E+01 1.3767E+01 H1 2786 1.008000 0.423800 5.8312E-01 1.1297E+01 1.3495E+01 H2 2787 1.008000 0.423800 -9.4853E-01 1.1825E+01 1.3698E+01 O6 2788 15.999400 -0.847600 1.2868E+01 4.9674E+00 2.4538E+00 H1 2789 1.008000 0.423800 1.2633E+01 5.4110E+00 1.5891E+00 H2 2790 1.008000 0.423800 1.3805E+01 5.2076E+00 2.7072E+00 O6 2791 15.999400 -0.847600 -1.1750E+01 1.6701E+01 1.1187E+00 H1 2792 1.008000 0.423800 -1.1992E+01 1.5888E+01 1.6490E+00 H2 2793 1.008000 0.423800 -1.1673E+01 1.7487E+01 1.7310E+00 O6 2794 15.999400 -0.847600 5.1220E+00 2.4147E+00 -1.8215E+01 H1 2795 1.008000 0.423800 4.4571E+00 2.8565E+00 -1.7613E+01 H2 2796 1.008000 0.423800 6.0326E+00 2.4729E+00 -1.7806E+01 O6 2797 15.999400 -0.847600 -6.5997E+00 1.5010E+01 -7.0928E+00 H1 2798 1.008000 0.423800 -6.7999E+00 1.4291E+01 -6.4274E+00 H2 2799 1.008000 0.423800 -6.9741E+00 1.4753E+01 -7.9838E+00 O6 2800 15.999400 -0.847600 -6.1037E+00 -3.9161E+00 -1.5683E+01 H1 2801 1.008000 0.423800 -5.5186E+00 -4.6053E+00 -1.6110E+01 H2 2802 1.008000 0.423800 -7.0053E+00 -3.9297E+00 -1.6115E+01 O6 2803 15.999400 -0.847600 1.5039E+01 5.1812E+00 4.3037E+00 H1 2804 1.008000 0.423800 1.5338E+01 4.2281E+00 4.2531E+00 H2 2805 1.008000 0.423800 1.4566E+01 5.3363E+00 5.1705E+00 O6 2806 15.999400 -0.847600 5.9427E+00 -1.3011E+00 -9.0501E+00 H1 2807 1.008000 0.423800 6.0829E+00 -1.4662E+00 -8.0738E+00 H2 2808 1.008000 0.423800 5.3812E+00 -4.8278E-01 -9.1724E+00 O6 2809 15.999400 -0.847600 -1.3609E+01 1.5780E+00 -1.5304E+01 H1 2810 1.008000 0.423800 -1.3509E+01 6.8383E-01 -1.4868E+01 H2 2811 1.008000 0.423800 -1.3868E+01 2.2569E+00 -1.4618E+01 O6 2812 15.999400 -0.847600 -1.5403E+01 3.7617E+00 3.1643E+00 H1 2813 1.008000 0.423800 -1.5413E+01 2.7978E+00 2.8981E+00 H2 2814 1.008000 0.423800 -1.6200E+01 4.2233E+00 2.7755E+00 O6 2815 15.999400 -0.847600 1.7886E+01 1.5833E+01 -1.2001E+01 H1 2816 1.008000 0.423800 1.8516E+01 1.5057E+01 -1.1976E+01 H2 2817 1.008000 0.423800 1.7247E+01 1.5719E+01 -1.2762E+01 O6 2818 15.999400 -0.847600 1.3237E+01 7.5605E+00 6.6325E+00 H1 2819 1.008000 0.423800 1.2363E+01 7.5644E+00 6.1468E+00 H2 2820 1.008000 0.423800 1.3168E+01 8.1358E+00 7.4474E+00 O6 2821 15.999400 -0.847600 1.0003E+01 1.4967E+01 -4.6833E+00 H1 2822 1.008000 0.423800 9.6627E+00 1.5639E+01 -4.0260E+00 H2 2823 1.008000 0.423800 1.0516E+01 1.5434E+01 -5.4033E+00 O6 2824 15.999400 -0.847600 -7.5020E+00 1.6428E+00 -9.8796E+00 H1 2825 1.008000 0.423800 -8.2756E+00 1.9604E+00 -9.3314E+00 H2 2826 1.008000 0.423800 -6.9689E+00 9.8136E-01 -9.3520E+00 O6 2827 15.999400 -0.847600 5.0380E+00 1.5109E+01 5.4952E+00 H1 2828 1.008000 0.423800 5.8397E+00 1.5561E+01 5.1049E+00 H2 2829 1.008000 0.423800 5.1410E+00 1.4117E+01 5.4109E+00 O6 2830 15.999400 -0.847600 -1.4096E+01 7.6421E+00 2.2818E+00 H1 2831 1.008000 0.423800 -1.4005E+01 8.6349E+00 2.3612E+00 H2 2832 1.008000 0.423800 -1.4910E+01 7.4239E+00 1.7441E+00 O6 2833 15.999400 -0.847600 -1.2645E+01 5.5266E+00 1.0337E+00 H1 2834 1.008000 0.423800 -1.1895E+01 5.9611E+00 5.3510E-01 H2 2835 1.008000 0.423800 -1.3217E+01 6.2304E+00 1.4558E+00 O6 2836 15.999400 -0.847600 2.1429E+00 -1.2355E+01 1.0044E+01 H1 2837 1.008000 0.423800 2.5299E+00 -1.3262E+01 1.0207E+01 H2 2838 1.008000 0.423800 2.6058E+00 -1.1930E+01 9.2665E+00 O6 2839 15.999400 -0.847600 -1.8408E+01 -1.1918E+01 -1.8914E+01 H1 2840 1.008000 0.423800 -1.8038E+01 -1.1837E+01 1.9258E+01 H2 2841 1.008000 0.423800 -1.8192E+01 -1.1090E+01 -1.8396E+01 O6 2842 15.999400 -0.847600 1.5599E+01 2.3203E+00 -4.3504E+00 H1 2843 1.008000 0.423800 1.5722E+01 1.6725E+00 -3.5986E+00 H2 2844 1.008000 0.423800 1.6324E+01 2.1883E+00 -5.0262E+00 O6 2845 15.999400 -0.847600 -1.9168E+01 8.9701E+00 -5.6182E+00 H1 2846 1.008000 0.423800 -1.8257E+01 9.3824E+00 -5.5998E+00 H2 2847 1.008000 0.423800 1.9447E+01 9.2655E+00 -6.4425E+00 O6 2848 15.999400 -0.847600 -1.2547E+01 1.2904E+01 1.6445E+01 H1 2849 1.008000 0.423800 -1.2421E+01 1.2843E+01 1.7435E+01 H2 2850 1.008000 0.423800 -1.3500E+01 1.3127E+01 1.6243E+01 O6 2851 15.999400 -0.847600 -1.1093E+01 -4.2711E+00 -1.4850E+01 H1 2852 1.008000 0.423800 -1.1745E+01 -3.5552E+00 -1.5100E+01 H2 2853 1.008000 0.423800 -1.0166E+01 -3.9694E+00 -1.5071E+01 O6 2854 15.999400 -0.847600 -4.3367E+00 1.7855E+01 -4.7749E+00 H1 2855 1.008000 0.423800 -3.5800E+00 1.7229E+01 -4.5873E+00 H2 2856 1.008000 0.423800 -4.6403E+00 1.7737E+01 -5.7203E+00 O6 2857 15.999400 -0.847600 3.1989E+00 -1.4767E+01 1.0654E+01 H1 2858 1.008000 0.423800 3.8886E+00 -1.4546E+01 1.1343E+01 H2 2859 1.008000 0.423800 3.5467E+00 -1.5489E+01 1.0054E+01 O6 2860 15.999400 -0.847600 -4.3282E+00 -2.7178E+00 -1.4087E+01 H1 2861 1.008000 0.423800 -4.6441E+00 -1.9248E+00 -1.3566E+01 H2 2862 1.008000 0.423800 -5.0647E+00 -3.0410E+00 -1.4681E+01 O6 2863 15.999400 -0.847600 9.2081E+00 -4.5213E+00 1.7529E+01 H1 2864 1.008000 0.423800 9.9535E+00 -4.9183E+00 1.8065E+01 H2 2865 1.008000 0.423800 8.9226E+00 -5.1697E+00 1.6824E+01 O6 2866 15.999400 -0.847600 3.5003E+00 -3.2831E+00 5.4277E+00 H1 2867 1.008000 0.423800 2.8691E+00 -3.4488E+00 4.6700E+00 H2 2868 1.008000 0.423800 3.2513E+00 -2.4314E+00 5.8887E+00 O6 2869 15.999400 -0.847600 1.4431E+01 1.2861E+01 1.3988E+00 H1 2870 1.008000 0.423800 1.4773E+01 1.2040E+01 9.4124E-01 H2 2871 1.008000 0.423800 1.3963E+01 1.3442E+01 7.3372E-01 O6 2872 15.999400 -0.847600 1.3705E+01 4.0613E+00 9.6971E+00 H1 2873 1.008000 0.423800 1.3226E+01 3.2445E+00 1.0019E+01 H2 2874 1.008000 0.423800 1.4671E+01 4.0029E+00 9.9498E+00 O6 2875 15.999400 -0.847600 1.3658E+01 1.3446E+01 1.8649E+01 H1 2876 1.008000 0.423800 1.3529E+01 1.4158E+01 1.9339E+01 H2 2877 1.008000 0.423800 1.2803E+01 1.2941E+01 1.8528E+01 O6 2878 15.999400 -0.847600 -9.0877E+00 -7.0882E+00 -1.6572E+01 H1 2879 1.008000 0.423800 -1.0006E+01 -7.4599E+00 -1.6708E+01 H2 2880 1.008000 0.423800 -8.8254E+00 -7.1909E+00 -1.5612E+01 O6 2881 15.999400 -0.847600 -1.0400E+01 -1.6345E+01 9.8661E+00 H1 2882 1.008000 0.423800 -1.0618E+01 -1.7029E+01 1.0562E+01 H2 2883 1.008000 0.423800 -1.0761E+01 -1.6642E+01 8.9820E+00 O6 2884 15.999400 -0.847600 -5.3372E+00 6.2425E+00 -1.8340E+01 H1 2885 1.008000 0.423800 -4.5662E+00 6.7240E+00 -1.8757E+01 H2 2886 1.008000 0.423800 -5.9897E+00 6.9084E+00 -1.7979E+01 O6 2887 15.999400 -0.847600 -5.1585E+00 1.0472E+01 -9.0283E+00 H1 2888 1.008000 0.423800 -4.6946E+00 1.0353E+01 -9.9063E+00 H2 2889 1.008000 0.423800 -4.9219E+00 9.7131E+00 -8.4214E+00 O6 2890 15.999400 -0.847600 7.2252E+00 2.6266E+00 -2.6294E-01 H1 2891 1.008000 0.423800 6.7287E+00 2.4711E+00 5.9107E-01 H2 2892 1.008000 0.423800 7.3164E+00 1.7623E+00 -7.5756E-01 O6 2893 15.999400 -0.847600 -2.3571E+00 -1.2060E+01 -9.4070E+00 H1 2894 1.008000 0.423800 -2.8010E+00 -1.2890E+01 -9.7457E+00 H2 2895 1.008000 0.423800 -1.6055E+00 -1.1812E+01 -1.0018E+01 O6 2896 15.999400 -0.847600 -1.0664E+01 1.9470E+01 -1.1010E+00 H1 2897 1.008000 0.423800 -1.0502E+01 -1.9364E+01 -2.0520E+00 H2 2898 1.008000 0.423800 -9.9045E+00 1.8905E+01 -7.7798E-01 O6 2899 15.999400 -0.847600 -1.0083E+01 -1.6580E+01 1.5980E+01 H1 2900 1.008000 0.423800 -9.6909E+00 -1.5666E+01 1.6090E+01 H2 2901 1.008000 0.423800 -9.8640E+00 -1.6929E+01 1.5069E+01 O6 2902 15.999400 -0.847600 -7.6087E+00 -6.1383E+00 -9.4646E+00 H1 2903 1.008000 0.423800 -7.9094E+00 -6.1717E+00 -8.5114E+00 H2 2904 1.008000 0.423800 -6.7539E+00 -5.6230E+00 -9.5265E+00 O6 2905 15.999400 -0.847600 -9.1592E+00 1.4062E+01 7.6751E+00 H1 2906 1.008000 0.423800 -9.7216E+00 1.4156E+01 6.8536E+00 H2 2907 1.008000 0.423800 -8.2159E+00 1.4318E+01 7.4643E+00 O6 2908 15.999400 -0.847600 -5.3636E-02 -1.7968E+01 -1.6030E+01 H1 2909 1.008000 0.423800 1.8521E-01 -1.7147E+01 -1.5511E+01 H2 2910 1.008000 0.423800 6.0710E-01 -1.8692E+01 -1.5832E+01 O6 2911 15.999400 -0.847600 8.6726E+00 -8.7669E+00 -1.1711E+01 H1 2912 1.008000 0.423800 8.8119E+00 -7.9643E+00 -1.1131E+01 H2 2913 1.008000 0.423800 9.2554E+00 -8.6983E+00 -1.2521E+01 O6 2914 15.999400 -0.847600 -1.1232E+01 1.9879E+00 1.9070E+01 H1 2915 1.008000 0.423800 -1.1857E+01 1.8235E+00 -1.9265E+01 H2 2916 1.008000 0.423800 -1.1420E+01 1.3327E+00 1.8338E+01 O6 2917 15.999400 -0.847600 6.5132E+00 -7.4504E+00 -1.0290E+01 H1 2918 1.008000 0.423800 6.3978E+00 -7.4106E+00 -1.1282E+01 H2 2919 1.008000 0.423800 7.4856E+00 -7.3894E+00 -1.0065E+01 O6 2920 15.999400 -0.847600 -1.4556E+01 -1.4445E+01 1.1886E-01 H1 2921 1.008000 0.423800 -1.4231E+01 -1.4729E+01 1.0210E+00 H2 2922 1.008000 0.423800 -1.5015E+01 -1.3560E+01 1.9367E-01 O6 2923 15.999400 -0.847600 -3.3865E+00 1.7811E+01 5.4503E+00 H1 2924 1.008000 0.423800 -3.2130E+00 1.7759E+01 6.4337E+00 H2 2925 1.008000 0.423800 -3.4125E+00 1.8770E+01 5.1673E+00 O6 2926 15.999400 -0.847600 1.3478E+01 8.5514E-01 1.8652E+01 H1 2927 1.008000 0.423800 1.4367E+01 1.1991E+00 1.8955E+01 H2 2928 1.008000 0.423800 1.3422E+01 -1.2728E-01 1.8830E+01 O6 2929 15.999400 -0.847600 -1.7381E+01 6.7486E+00 1.2847E+01 H1 2930 1.008000 0.423800 -1.7566E+01 7.7280E+00 1.2766E+01 H2 2931 1.008000 0.423800 -1.6393E+01 6.5964E+00 1.2868E+01 O6 2932 15.999400 -0.847600 6.2887E+00 -1.6114E+00 6.9839E+00 H1 2933 1.008000 0.423800 5.5758E+00 -9.9113E-01 7.3111E+00 H2 2934 1.008000 0.423800 6.1284E+00 -1.8247E+00 6.0202E+00 O6 2935 15.999400 -0.847600 -3.2105E+00 -1.8028E+01 1.8837E+01 H1 2936 1.008000 0.423800 -2.4720E+00 -1.8196E+01 1.9490E+01 H2 2937 1.008000 0.423800 -2.8677E+00 -1.7467E+01 1.8084E+01 O6 2938 15.999400 -0.847600 -1.8723E+01 -6.7266E+00 -1.6684E+01 H1 2939 1.008000 0.423800 -1.8664E+01 -6.3161E+00 -1.5774E+01 H2 2940 1.008000 0.423800 -1.8144E+01 -7.5412E+00 -1.6721E+01 O6 2941 15.999400 -0.847600 -4.5391E+00 -1.0273E+01 -1.2656E+01 H1 2942 1.008000 0.423800 -5.3492E+00 -1.0357E+01 -1.2076E+01 H2 2943 1.008000 0.423800 -4.7967E+00 -1.0419E+01 -1.3611E+01 O6 2944 15.999400 -0.847600 1.5558E+01 2.1173E+00 -1.2392E+01 H1 2945 1.008000 0.423800 1.6431E+01 2.4410E+00 -1.2027E+01 H2 2946 1.008000 0.423800 1.5107E+01 2.8605E+00 -1.2886E+01 O6 2947 15.999400 -0.847600 1.2928E+01 1.6180E+00 1.0506E+01 H1 2948 1.008000 0.423800 1.3499E+01 8.8439E-01 1.0876E+01 H2 2949 1.008000 0.423800 1.2642E+01 1.3817E+00 9.5773E+00 O6 2950 15.999400 -0.847600 1.8003E+01 1.2297E+01 1.6056E+01 H1 2951 1.008000 0.423800 1.7071E+01 1.2366E+01 1.6412E+01 H2 2952 1.008000 0.423800 1.8036E+01 1.2681E+01 1.5133E+01 O6 2953 15.999400 -0.847600 -4.8063E+00 3.1216E+00 -1.2651E+01 H1 2954 1.008000 0.423800 -5.7944E+00 3.0976E+00 -1.2803E+01 H2 2955 1.008000 0.423800 -4.3329E+00 3.0936E+00 -1.3531E+01 O6 2956 15.999400 -0.847600 5.3494E+00 1.2511E+01 5.0925E+00 H1 2957 1.008000 0.423800 5.1336E+00 1.1990E+01 4.2664E+00 H2 2958 1.008000 0.423800 5.4607E+00 1.1883E+01 5.8627E+00 O6 2959 15.999400 -0.847600 1.0691E+01 -1.6865E+01 2.0347E+00 H1 2960 1.008000 0.423800 1.0407E+01 -1.7505E+01 2.7493E+00 H2 2961 1.008000 0.423800 1.0043E+01 -1.6907E+01 1.2741E+00 O6 2962 15.999400 -0.847600 1.5041E+01 -1.7110E+00 9.1544E+00 H1 2963 1.008000 0.423800 1.4846E+01 -2.4298E+00 9.8215E+00 H2 2964 1.008000 0.423800 1.4247E+01 -1.5828E+00 8.5602E+00 O6 2965 15.999400 -0.847600 -4.2249E+00 -1.0193E+01 -8.4498E+00 H1 2966 1.008000 0.423800 -3.7258E+00 -9.3354E+00 -8.3260E+00 H2 2967 1.008000 0.423800 -3.6042E+00 -1.0891E+01 -8.8062E+00 O6 2968 15.999400 -0.847600 2.6858E+00 -2.9924E+00 1.3675E+01 H1 2969 1.008000 0.423800 3.2574E+00 -3.8028E+00 1.3546E+01 H2 2970 1.008000 0.423800 1.7342E+00 -3.2194E+00 1.3468E+01 O6 2971 15.999400 -0.847600 3.2527E+00 1.2104E+01 1.6540E+01 H1 2972 1.008000 0.423800 3.5470E+00 1.1690E+01 1.5679E+01 H2 2973 1.008000 0.423800 3.5381E+00 1.1525E+01 1.7303E+01 O6 2974 15.999400 -0.847600 -1.5624E+01 1.9272E+01 2.7125E+00 H1 2975 1.008000 0.423800 -1.5504E+01 -1.8986E+01 2.1829E+00 H2 2976 1.008000 0.423800 -1.4731E+01 1.8940E+01 3.0184E+00 O6 2977 15.999400 -0.847600 -2.0634E+00 2.3050E-01 -4.7814E+00 H1 2978 1.008000 0.423800 -1.1733E+00 -1.8322E-03 -5.1736E+00 H2 2979 1.008000 0.423800 -2.1684E+00 1.2247E+00 -4.7590E+00 O6 2980 15.999400 -0.847600 1.3874E+01 -2.7238E+00 -4.3758E+00 H1 2981 1.008000 0.423800 1.3235E+01 -2.3662E+00 -3.6947E+00 H2 2982 1.008000 0.423800 1.4762E+01 -2.8888E+00 -3.9458E+00 O6 2983 15.999400 -0.847600 1.2798E+00 2.0450E+00 -4.0419E+00 H1 2984 1.008000 0.423800 9.0996E-01 2.8518E+00 -3.5812E+00 H2 2985 1.008000 0.423800 8.1387E-01 1.2265E+00 -3.7059E+00 O6 2986 15.999400 -0.847600 -1.2185E+01 3.9240E-02 1.7452E+01 H1 2987 1.008000 0.423800 -1.3103E+01 1.7438E-01 1.7825E+01 H2 2988 1.008000 0.423800 -1.2251E+01 -3.9888E-01 1.6555E+01 O6 2989 15.999400 -0.847600 1.5766E+01 8.6879E+00 -1.3859E+00 H1 2990 1.008000 0.423800 1.5610E+01 7.9915E+00 -6.8553E-01 H2 2991 1.008000 0.423800 1.5114E+01 8.5620E+00 -2.1329E+00 O6 2992 15.999400 -0.847600 3.3641E+00 1.6566E+01 -1.4828E+01 H1 2993 1.008000 0.423800 3.6045E+00 1.7480E+01 -1.4502E+01 H2 2994 1.008000 0.423800 4.1467E+00 1.5954E+01 -1.4712E+01 O6 2995 15.999400 -0.847600 1.3874E+01 -1.4613E+01 -1.8207E+01 H1 2996 1.008000 0.423800 1.4022E+01 -1.4871E+01 -1.9162E+01 H2 2997 1.008000 0.423800 1.3591E+01 -1.5418E+01 -1.7685E+01 O6 2998 15.999400 -0.847600 -1.9437E+01 6.9362E+00 -4.3794E-01 H1 2999 1.008000 0.423800 -1.9417E+01 7.4303E+00 4.3122E-01 H2 3000 1.008000 0.423800 -1.8608E+01 7.1407E+00 -9.5720E-01 O6 3001 15.999400 -0.847600 -4.9785E+00 1.7420E+01 -1.1657E+01 H1 3002 1.008000 0.423800 -5.7778E+00 1.7715E+01 -1.1134E+01 H2 3003 1.008000 0.423800 -4.3469E+00 1.6932E+01 -1.1054E+01 O6 3004 15.999400 -0.847600 1.4383E+01 1.3989E+01 1.0485E+01 H1 3005 1.008000 0.423800 1.3800E+01 1.4651E+01 1.0013E+01 H2 3006 1.008000 0.423800 1.5005E+01 1.3565E+01 9.8276E+00 O6 3007 15.999400 -0.847600 -1.1302E+00 2.1734E+00 -1.2171E+01 H1 3008 1.008000 0.423800 -2.0393E+00 1.8064E+00 -1.1974E+01 H2 3009 1.008000 0.423800 -1.0948E+00 2.4823E+00 -1.3122E+01 O6 3010 15.999400 -0.847600 -1.5425E+01 -6.0833E+00 1.4360E+01 H1 3011 1.008000 0.423800 -1.6111E+01 -5.3785E+00 1.4181E+01 H2 3012 1.008000 0.423800 -1.5793E+01 -6.7514E+00 1.5006E+01 O6 3013 15.999400 -0.847600 1.1007E+01 -1.4250E+01 -4.0139E+00 H1 3014 1.008000 0.423800 1.1711E+01 -1.3674E+01 -3.5983E+00 H2 3015 1.008000 0.423800 1.0334E+01 -1.3672E+01 -4.4756E+00 O6 3016 15.999400 -0.847600 -3.0594E+00 -1.7570E+01 -1.6031E+01 H1 3017 1.008000 0.423800 -2.1042E+00 -1.7865E+01 -1.6056E+01 H2 3018 1.008000 0.423800 -3.2440E+00 -1.7111E+01 -1.5162E+01 O6 3019 15.999400 -0.847600 -9.6405E+00 7.5785E+00 1.1749E+01 H1 3020 1.008000 0.423800 -9.6361E+00 8.4629E+00 1.1282E+01 H2 3021 1.008000 0.423800 -8.7088E+00 7.3428E+00 1.2025E+01 O6 3022 15.999400 -0.847600 1.5697E+01 -1.0453E+01 1.9329E+01 H1 3023 1.008000 0.423800 1.5546E+01 -1.1029E+01 -1.8965E+01 H2 3024 1.008000 0.423800 1.5100E+01 -1.0756E+01 1.8585E+01 O6 3025 15.999400 -0.847600 -4.0639E+00 -6.4081E+00 -5.4353E+00 H1 3026 1.008000 0.423800 -3.5430E+00 -6.9541E+00 -4.7791E+00 H2 3027 1.008000 0.423800 -5.0398E+00 -6.5964E+00 -5.3253E+00 O6 3028 15.999400 -0.847600 -8.3501E+00 -5.0120E+00 -3.9063E+00 H1 3029 1.008000 0.423800 -8.2314E+00 -4.1398E+00 -4.3810E+00 H2 3030 1.008000 0.423800 -8.1261E+00 -4.8978E+00 -2.9385E+00 O6 3031 15.999400 -0.847600 -1.9403E+01 -1.3424E+01 2.6651E+00 H1 3032 1.008000 0.423800 1.9431E+01 -1.3681E+01 1.7351E+00 H2 3033 1.008000 0.423800 1.9345E+01 -1.2510E+01 2.8696E+00 O6 3034 15.999400 -0.847600 7.3288E+00 9.8296E+00 1.8338E+01 H1 3035 1.008000 0.423800 8.0156E+00 9.1107E+00 1.8231E+01 H2 3036 1.008000 0.423800 7.7838E+00 1.0717E+01 1.8410E+01 O6 3037 15.999400 -0.847600 -2.5640E-02 -8.5272E+00 6.0851E+00 H1 3038 1.008000 0.423800 7.3572E-01 -8.9947E+00 6.5343E+00 H2 3039 1.008000 0.423800 -5.0946E-02 -7.5721E+00 6.3801E+00 O6 3040 15.999400 -0.847600 -1.3904E+01 -7.4032E+00 1.2631E+01 H1 3041 1.008000 0.423800 -1.4376E+01 -6.6897E+00 1.3149E+01 H2 3042 1.008000 0.423800 -1.3701E+01 -8.1737E+00 1.3236E+01 O6 3043 15.999400 -0.847600 1.4948E+01 -1.2733E+01 1.2460E+00 H1 3044 1.008000 0.423800 1.4812E+01 -1.2204E+01 2.0839E+00 H2 3045 1.008000 0.423800 1.5458E+01 -1.3566E+01 1.4568E+00 O6 3046 15.999400 -0.847600 8.8380E+00 -6.2396E+00 1.0920E+01 H1 3047 1.008000 0.423800 9.2315E+00 -6.9331E+00 1.0317E+01 H2 3048 1.008000 0.423800 9.1639E+00 -5.3350E+00 1.0645E+01 O6 3049 15.999400 -0.847600 6.8507E+00 -1.3507E+01 -2.3329E-01 H1 3050 1.008000 0.423800 7.2872E+00 -1.2836E+01 3.6637E-01 H2 3051 1.008000 0.423800 5.9903E+00 -1.3810E+01 1.7641E-01 O6 3052 15.999400 -0.847600 -1.9115E+01 2.7462E+00 -8.4622E+00 H1 3053 1.008000 0.423800 -1.8945E+01 1.8930E+00 -7.9690E+00 H2 3054 1.008000 0.423800 -1.8401E+01 3.4091E+00 -8.2364E+00 O6 3055 15.999400 -0.847600 -8.4703E+00 -4.5275E+00 -1.7313E+01 H1 3056 1.008000 0.423800 -8.7680E+00 -5.4486E+00 -1.7062E+01 H2 3057 1.008000 0.423800 -7.9960E+00 -4.5589E+00 -1.8193E+01 O6 3058 15.999400 -0.847600 1.0028E+01 -4.1390E+00 6.3912E+00 H1 3059 1.008000 0.423800 9.8165E+00 -5.0894E+00 6.6188E+00 H2 3060 1.008000 0.423800 1.0624E+01 -3.7525E+00 7.0949E+00 O6 3061 15.999400 -0.847600 1.4736E+01 8.7020E+00 1.6059E+01 H1 3062 1.008000 0.423800 1.3783E+01 9.0048E+00 1.6102E+01 H2 3063 1.008000 0.423800 1.5279E+01 9.2135E+00 1.6725E+01 O6 3064 15.999400 -0.847600 -1.2356E+00 -1.5546E+01 -1.8739E+01 H1 3065 1.008000 0.423800 -1.2324E+00 -1.6544E+01 -1.8789E+01 H2 3066 1.008000 0.423800 -1.3119E+00 -1.5166E+01 1.9436E+01 O6 3067 15.999400 -0.847600 1.0595E+00 1.2385E+01 3.7316E-01 H1 3068 1.008000 0.423800 1.8627E+00 1.2972E+01 2.7332E-01 H2 3069 1.008000 0.423800 1.2350E+00 1.1697E+01 1.0775E+00 O6 3070 15.999400 -0.847600 -1.7001E+01 -1.6138E+01 -1.3885E+01 H1 3071 1.008000 0.423800 -1.7127E+01 -1.6805E+01 -1.3151E+01 H2 3072 1.008000 0.423800 -1.6902E+01 -1.5224E+01 -1.3493E+01 O6 3073 15.999400 -0.847600 -1.9331E-01 1.7951E+01 4.6144E+00 H1 3074 1.008000 0.423800 4.3492E-01 1.7958E+01 5.3924E+00 H2 3075 1.008000 0.423800 -1.0767E+00 1.7581E+01 4.9029E+00 O6 3076 15.999400 -0.847600 -4.6194E+00 -1.8547E+01 1.4976E+01 H1 3077 1.008000 0.423800 -4.9886E+00 -1.7721E+01 1.4550E+01 H2 3078 1.008000 0.423800 -3.6592E+00 -1.8654E+01 1.4718E+01 O6 3079 15.999400 -0.847600 1.5176E+01 1.2778E+01 4.1401E+00 H1 3080 1.008000 0.423800 1.4713E+01 1.2935E+01 3.2677E+00 H2 3081 1.008000 0.423800 1.6145E+01 1.2594E+01 3.9747E+00 O6 3082 15.999400 -0.847600 -1.4415E+01 -1.5648E+01 -2.2521E+00 H1 3083 1.008000 0.423800 -1.4536E+01 -1.4846E+01 -2.8367E+00 H2 3084 1.008000 0.423800 -1.4454E+01 -1.5370E+01 -1.2923E+00 O6 3085 15.999400 -0.847600 1.5112E+01 6.6783E+00 1.0552E+00 H1 3086 1.008000 0.423800 1.5918E+01 6.0887E+00 9.9213E-01 H2 3087 1.008000 0.423800 1.4354E+01 6.2623E+00 5.5264E-01 O6 3088 15.999400 -0.847600 -1.8233E+00 3.3294E+00 6.7227E+00 H1 3089 1.008000 0.423800 -2.0621E+00 3.7810E+00 7.5825E+00 H2 3090 1.008000 0.423800 -2.6526E+00 3.1762E+00 6.1853E+00 O6 3091 15.999400 -0.847600 3.2544E+00 3.4381E+00 1.6905E+01 H1 3092 1.008000 0.423800 2.7735E+00 2.6147E+00 1.7207E+01 H2 3093 1.008000 0.423800 3.6615E+00 3.2761E+00 1.6007E+01 O6 3094 15.999400 -0.847600 -5.0223E+00 -8.7152E+00 1.0117E+01 H1 3095 1.008000 0.423800 -4.6168E+00 -9.4428E+00 1.0671E+01 H2 3096 1.008000 0.423800 -5.1921E+00 -9.0554E+00 9.1924E+00 O6 3097 15.999400 -0.847600 1.7748E+01 3.0522E+00 -6.2254E+00 H1 3098 1.008000 0.423800 1.7540E+01 4.0255E+00 -6.1287E+00 H2 3099 1.008000 0.423800 1.8728E+01 2.9058E+00 -6.0893E+00 O6 3100 15.999400 -0.847600 1.5904E+01 -3.4402E+00 1.9534E+01 H1 3101 1.008000 0.423800 1.6388E+01 -3.9401E+00 1.8816E+01 H2 3102 1.008000 0.423800 1.6505E+01 -2.7366E+00 -1.9184E+01 O6 3103 15.999400 -0.847600 3.1836E+00 1.0198E+01 -1.7993E+01 H1 3104 1.008000 0.423800 3.4452E+00 1.0568E+01 -1.7101E+01 H2 3105 1.008000 0.423800 2.4972E+00 1.0792E+01 -1.8412E+01 O6 3106 15.999400 -0.847600 3.7003E+00 1.9169E+01 -7.9116E+00 H1 3107 1.008000 0.423800 3.6486E+00 -1.9252E+01 -7.1772E+00 H2 3108 1.008000 0.423800 2.7943E+00 1.9047E+01 -8.3167E+00 O6 3109 15.999400 -0.847600 1.6448E+01 -7.5257E+00 4.1045E+00 H1 3110 1.008000 0.423800 1.6719E+01 -6.5711E+00 3.9816E+00 H2 3111 1.008000 0.423800 1.5677E+01 -7.5741E+00 4.7401E+00 O6 3112 15.999400 -0.847600 -6.9224E+00 5.8971E+00 -1.2647E+01 H1 3113 1.008000 0.423800 -7.2918E+00 5.0386E+00 -1.2292E+01 H2 3114 1.008000 0.423800 -5.9597E+00 5.9780E+00 -1.2389E+01 O6 3115 15.999400 -0.847600 1.6824E+01 1.5165E+01 -1.4671E+01 H1 3116 1.008000 0.423800 1.7289E+01 1.4357E+01 -1.4310E+01 H2 3117 1.008000 0.423800 1.6783E+01 1.5109E+01 -1.5668E+01 O6 3118 15.999400 -0.847600 4.9649E+00 1.2757E+01 -2.2554E+00 H1 3119 1.008000 0.423800 5.3709E+00 1.3403E+01 -2.9024E+00 H2 3120 1.008000 0.423800 5.1767E+00 1.1822E+01 -2.5401E+00 O6 3121 15.999400 -0.847600 3.0753E+00 5.2395E-01 -2.1726E+00 H1 3122 1.008000 0.423800 2.3815E+00 -1.0074E-01 -2.5311E+00 H2 3123 1.008000 0.423800 3.9241E+00 4.1122E-01 -2.6891E+00 O6 3124 15.999400 -0.847600 -1.8054E+01 9.5076E+00 1.9492E+01 H1 3125 1.008000 0.423800 -1.7921E+01 1.0493E+01 -1.9505E+01 H2 3126 1.008000 0.423800 -1.7280E+01 9.1162E+00 1.8993E+01 O6 3127 15.999400 -0.847600 -1.2621E+01 -1.5053E+01 1.9026E+01 H1 3128 1.008000 0.423800 -1.1645E+01 -1.5055E+01 1.9243E+01 H2 3129 1.008000 0.423800 -1.2774E+01 -1.5556E+01 1.8175E+01 O6 3130 15.999400 -0.847600 1.5649E+01 1.0563E+01 6.0668E-01 H1 3131 1.008000 0.423800 1.5345E+01 9.8374E+00 1.2242E+00 H2 3132 1.008000 0.423800 1.5558E+01 1.0254E+01 -3.4017E-01 O6 3133 15.999400 -0.847600 1.2226E+01 -5.9658E+00 9.8429E+00 H1 3134 1.008000 0.423800 1.2758E+01 -6.5570E+00 1.0449E+01 H2 3135 1.008000 0.423800 1.1570E+01 -6.5189E+00 9.3294E+00 O6 3136 15.999400 -0.847600 -6.1268E+00 -1.8178E+01 -8.6091E+00 H1 3137 1.008000 0.423800 -5.9383E+00 -1.8185E+01 -7.6271E+00 H2 3138 1.008000 0.423800 -6.8891E+00 -1.7558E+01 -8.7977E+00 O6 3139 15.999400 -0.847600 2.7208E+00 -7.1274E+00 -4.8945E+00 H1 3140 1.008000 0.423800 2.0952E+00 -6.6379E+00 -5.5019E+00 H2 3141 1.008000 0.423800 2.6781E+00 -8.1069E+00 -5.0913E+00 O6 3142 15.999400 -0.847600 9.9798E+00 1.0911E+00 9.6199E+00 H1 3143 1.008000 0.423800 1.0688E+01 6.6326E-01 9.0585E+00 H2 3144 1.008000 0.423800 1.0311E+01 1.9711E+00 9.9605E+00 O6 3145 15.999400 -0.847600 -9.9745E+00 8.4072E-01 7.3520E+00 H1 3146 1.008000 0.423800 -1.0083E+01 9.7834E-01 6.3674E+00 H2 3147 1.008000 0.423800 -1.0829E+01 1.0729E+00 7.8167E+00 O6 3148 15.999400 -0.847600 -1.4851E+01 -7.1277E+00 -1.8235E+01 H1 3149 1.008000 0.423800 -1.3979E+01 -6.6587E+00 -1.8092E+01 H2 3150 1.008000 0.423800 -1.4939E+01 -7.8753E+00 -1.7577E+01 O6 3151 15.999400 -0.847600 -3.5607E+00 -1.7604E+01 -9.5989E+00 H1 3152 1.008000 0.423800 -2.9571E+00 -1.7207E+01 -8.9070E+00 H2 3153 1.008000 0.423800 -4.4588E+00 -1.7780E+01 -9.1960E+00 O6 3154 15.999400 -0.847600 3.0987E+00 -1.7290E+01 1.4468E+00 H1 3155 1.008000 0.423800 2.5609E+00 -1.7912E+01 8.7735E-01 H2 3156 1.008000 0.423800 4.0577E+00 -1.7573E+01 1.4352E+00 O6 3157 15.999400 -0.847600 -1.9813E-01 2.7843E+00 9.3300E+00 H1 3158 1.008000 0.423800 -1.4591E-01 1.8532E+00 8.9690E+00 H2 3159 1.008000 0.423800 3.2931E-01 2.8431E+00 1.0178E+01 O6 3160 15.999400 -0.847600 -4.4324E+00 1.3642E+01 6.5519E+00 H1 3161 1.008000 0.423800 -5.1532E+00 1.4314E+01 6.7244E+00 H2 3162 1.008000 0.423800 -3.6524E+00 1.4094E+01 6.1193E+00 O6 3163 15.999400 -0.847600 -1.9474E+01 -9.3925E-01 1.3230E-01 H1 3164 1.008000 0.423800 1.8970E+01 -2.1458E-01 -8.4684E-02 H2 3165 1.008000 0.423800 -1.8694E+01 -5.4889E-01 6.2225E-01 O6 3166 15.999400 -0.847600 -3.0673E+00 -3.8649E+00 -5.8152E+00 H1 3167 1.008000 0.423800 -3.5543E+00 -4.7282E+00 -5.6829E+00 H2 3168 1.008000 0.423800 -2.0935E+00 -4.0002E+00 -5.6329E+00 O6 3169 15.999400 -0.847600 -3.8331E+00 3.0814E+00 5.0992E+00 H1 3170 1.008000 0.423800 -4.8300E+00 3.0714E+00 5.0200E+00 H2 3171 1.008000 0.423800 -3.4336E+00 2.5615E+00 4.3442E+00 O6 3172 15.999400 -0.847600 7.6641E+00 9.1732E-01 -2.5985E+00 H1 3173 1.008000 0.423800 6.9410E+00 2.6064E-01 -2.3844E+00 H2 3174 1.008000 0.423800 7.4273E+00 1.4133E+00 -3.4339E+00 O6 3175 15.999400 -0.847600 5.4078E+00 -2.6095E+00 -1.1666E+01 H1 3176 1.008000 0.423800 6.0560E+00 -2.3430E+00 -1.2379E+01 H2 3177 1.008000 0.423800 5.5819E+00 -2.0731E+00 -1.0840E+01 O6 3178 15.999400 -0.847600 -1.8663E+01 8.5117E+00 -1.0844E+01 H1 3179 1.008000 0.423800 -1.7713E+01 8.8069E+00 -1.0944E+01 H2 3180 1.008000 0.423800 -1.8729E+01 7.5323E+00 -1.1035E+01 O6 3181 15.999400 -0.847600 -1.7231E+01 -4.8594E+00 -1.0508E+01 H1 3182 1.008000 0.423800 -1.7371E+01 -5.0991E+00 -9.5469E+00 H2 3183 1.008000 0.423800 -1.7862E+01 -5.3867E+00 -1.1078E+01 O6 3184 15.999400 -0.847600 1.0141E+01 8.6423E+00 -2.2400E+00 H1 3185 1.008000 0.423800 1.0874E+01 7.9951E+00 -2.4493E+00 H2 3186 1.008000 0.423800 9.4578E+00 8.1962E+00 -1.6621E+00 O6 3187 15.999400 -0.847600 1.5115E+01 1.5107E+01 6.2805E+00 H1 3188 1.008000 0.423800 1.4142E+01 1.5316E+01 6.1900E+00 H2 3189 1.008000 0.423800 1.5431E+01 1.4626E+01 5.4626E+00 O6 3190 15.999400 -0.847600 -1.7367E+01 -1.1511E+01 1.7446E+01 H1 3191 1.008000 0.423800 -1.6898E+01 -1.0671E+01 1.7175E+01 H2 3192 1.008000 0.423800 -1.6713E+01 -1.2267E+01 1.7464E+01 O6 3193 15.999400 -0.847600 -1.7295E+01 -1.7147E+01 5.1928E+00 H1 3194 1.008000 0.423800 -1.6728E+01 -1.7947E+01 5.3903E+00 H2 3195 1.008000 0.423800 -1.8041E+01 -1.7095E+01 5.8567E+00 O6 3196 15.999400 -0.847600 1.1616E+01 -3.4507E+00 9.0128E+00 H1 3197 1.008000 0.423800 1.0861E+01 -3.1968E+00 9.6166E+00 H2 3198 1.008000 0.423800 1.2091E+01 -4.2462E+00 9.3895E+00 O6 3199 15.999400 -0.847600 7.7719E+00 -1.3094E+01 1.0571E+01 H1 3200 1.008000 0.423800 6.8235E+00 -1.2789E+01 1.0659E+01 H2 3201 1.008000 0.423800 8.0835E+00 -1.2948E+01 9.6324E+00 O6 3202 15.999400 -0.847600 1.0836E+01 -1.8914E+01 -1.5851E+01 H1 3203 1.008000 0.423800 1.0788E+01 1.9397E+01 -1.6466E+01 H2 3204 1.008000 0.423800 1.0138E+01 -1.8246E+01 -1.6109E+01 O6 3205 15.999400 -0.847600 -1.5601E+01 3.4128E+00 1.7814E+01 H1 3206 1.008000 0.423800 -1.5211E+01 3.2084E+00 1.8712E+01 H2 3207 1.008000 0.423800 -1.6117E+01 2.6211E+00 1.7487E+01 O6 3208 15.999400 -0.847600 -2.7233E+00 8.9670E+00 7.9603E+00 H1 3209 1.008000 0.423800 -3.0679E+00 9.8557E+00 8.2627E+00 H2 3210 1.008000 0.423800 -2.1966E+00 9.0827E+00 7.1182E+00 O6 3211 15.999400 -0.847600 -1.6866E+01 -1.7234E+01 -3.5030E+00 H1 3212 1.008000 0.423800 -1.6020E+01 -1.7116E+01 -4.0245E+00 H2 3213 1.008000 0.423800 -1.6804E+01 -1.8066E+01 -2.9521E+00 O6 3214 15.999400 -0.847600 1.8229E+01 -1.1614E+01 -6.5000E+00 H1 3215 1.008000 0.423800 1.7815E+01 -1.0941E+01 -5.8872E+00 H2 3216 1.008000 0.423800 1.7513E+01 -1.2192E+01 -6.8924E+00 O6 3217 15.999400 -0.847600 -1.6389E+01 -2.1178E+00 4.2192E+00 H1 3218 1.008000 0.423800 -1.7003E+01 -2.5883E+00 3.5848E+00 H2 3219 1.008000 0.423800 -1.6396E+01 -2.5892E+00 5.1010E+00 O6 3220 15.999400 -0.847600 6.7714E+00 1.2272E+01 5.4231E-01 H1 3221 1.008000 0.423800 7.7452E+00 1.2055E+01 6.1143E-01 H2 3222 1.008000 0.423800 6.5338E+00 1.2436E+01 -4.1499E-01 O6 3223 15.999400 -0.847600 -1.8486E+01 -1.6457E+01 -8.1954E+00 H1 3224 1.008000 0.423800 -1.8457E+01 -1.6866E+01 -9.1076E+00 H2 3225 1.008000 0.423800 -1.7748E+01 -1.5789E+01 -8.1054E+00 O6 3226 15.999400 -0.847600 1.1481E+01 1.3125E+01 9.3140E+00 H1 3227 1.008000 0.423800 1.1530E+01 1.2351E+01 8.6825E+00 H2 3228 1.008000 0.423800 1.1720E+01 1.3966E+01 8.8289E+00 O6 3229 15.999400 -0.847600 9.7513E+00 -8.1384E+00 -1.4231E+01 H1 3230 1.008000 0.423800 1.0199E+01 -8.6944E+00 -1.4931E+01 H2 3231 1.008000 0.423800 9.1393E+00 -7.4801E+00 -1.4670E+01 O6 3232 15.999400 -0.847600 -1.4770E+01 -3.7798E+00 1.1037E+01 H1 3233 1.008000 0.423800 -1.5335E+01 -2.9586E+00 1.0955E+01 H2 3234 1.008000 0.423800 -1.3953E+01 -3.5699E+00 1.1574E+01 O6 3235 15.999400 -0.847600 1.7423E+01 8.1902E+00 -4.4192E+00 H1 3236 1.008000 0.423800 1.7007E+01 8.5909E+00 -3.6027E+00 H2 3237 1.008000 0.423800 1.8344E+01 8.5613E+00 -4.5408E+00 O6 3238 15.999400 -0.847600 1.9453E+01 -1.7660E+01 -4.2471E+00 H1 3239 1.008000 0.423800 1.8647E+01 -1.7567E+01 -3.6622E+00 H2 3240 1.008000 0.423800 -1.8819E+01 -1.7637E+01 -3.6832E+00 O6 3241 15.999400 -0.847600 1.9464E+01 6.5789E+00 -1.3057E+01 H1 3242 1.008000 0.423800 -1.9042E+01 5.9619E+00 -1.2539E+01 H2 3243 1.008000 0.423800 1.8514E+01 6.4451E+00 -1.2774E+01 O6 3244 15.999400 -0.847600 -1.4313E+01 -1.5588E+01 -1.7028E+01 H1 3245 1.008000 0.423800 -1.5104E+01 -1.5067E+01 -1.6708E+01 H2 3246 1.008000 0.423800 -1.3600E+01 -1.4957E+01 -1.7335E+01 O6 3247 15.999400 -0.847600 -2.7916E+00 -1.4672E+01 9.6071E+00 H1 3248 1.008000 0.423800 -1.9680E+00 -1.4135E+01 9.4263E+00 H2 3249 1.008000 0.423800 -3.5353E+00 -1.4062E+01 9.8787E+00 O6 3250 15.999400 -0.847600 -3.8189E-01 4.8475E+00 5.2086E+00 H1 3251 1.008000 0.423800 -9.6938E-01 4.1981E+00 5.6914E+00 H2 3252 1.008000 0.423800 2.0052E-01 4.3538E+00 4.5629E+00 O6 3253 15.999400 -0.847600 1.6708E+01 -1.8539E+01 -9.1132E+00 H1 3254 1.008000 0.423800 1.7423E+01 -1.8926E+01 -9.6955E+00 H2 3255 1.008000 0.423800 1.6920E+01 -1.7583E+01 -8.9146E+00 O6 3256 15.999400 -0.847600 -1.8753E+01 4.7686E+00 1.4316E+01 H1 3257 1.008000 0.423800 1.9501E+01 4.8666E+00 1.3788E+01 H2 3258 1.008000 0.423800 -1.8109E+01 5.4859E+00 1.4051E+01 O6 3259 15.999400 -0.847600 -7.2793E+00 1.5921E+01 1.7899E+01 H1 3260 1.008000 0.423800 -6.9591E+00 1.5010E+01 1.7640E+01 H2 3261 1.008000 0.423800 -6.7637E+00 1.6612E+01 1.7392E+01 O6 3262 15.999400 -0.847600 -7.9270E+00 -1.1127E+01 9.9516E+00 H1 3263 1.008000 0.423800 -7.3592E+00 -1.1173E+01 9.1297E+00 H2 3264 1.008000 0.423800 -7.6468E+00 -1.1844E+01 1.0590E+01 O6 3265 15.999400 -0.847600 -7.0508E+00 3.7930E+00 -6.7206E+00 H1 3266 1.008000 0.423800 -7.9606E+00 3.6809E+00 -7.1201E+00 H2 3267 1.008000 0.423800 -6.4724E+00 4.3126E+00 -7.3494E+00 O6 3268 15.999400 -0.847600 1.7901E+01 -5.4924E+00 1.0056E+01 H1 3269 1.008000 0.423800 1.8659E+01 -6.1060E+00 9.8367E+00 H2 3270 1.008000 0.423800 1.7662E+01 -5.5896E+00 1.1023E+01 O6 3271 15.999400 -0.847600 -2.4956E+00 -5.9254E+00 -1.6105E+01 H1 3272 1.008000 0.423800 -2.6745E+00 -6.3728E+00 -1.5228E+01 H2 3273 1.008000 0.423800 -3.3599E+00 -5.7762E+00 -1.6585E+01 O6 3274 15.999400 -0.847600 3.8435E-01 -8.1859E+00 1.9349E+01 H1 3275 1.008000 0.423800 9.5275E-01 -8.2280E+00 1.8527E+01 H2 3276 1.008000 0.423800 -5.1019E-01 -7.8044E+00 1.9116E+01 O6 3277 15.999400 -0.847600 1.3621E+01 1.5922E+01 -1.8740E+01 H1 3278 1.008000 0.423800 1.3061E+01 1.5619E+01 -1.7969E+01 H2 3279 1.008000 0.423800 1.3840E+01 1.6892E+01 -1.8632E+01 O6 3280 15.999400 -0.847600 -9.5519E+00 4.9464E+00 -5.3813E+00 H1 3281 1.008000 0.423800 -8.5981E+00 4.6685E+00 -5.4957E+00 H2 3282 1.008000 0.423800 -9.8170E+00 5.5465E+00 -6.1360E+00 O6 3283 15.999400 -0.847600 -1.3524E+01 2.3995E+00 1.0572E+01 H1 3284 1.008000 0.423800 -1.2859E+01 3.0517E+00 1.0935E+01 H2 3285 1.008000 0.423800 -1.4411E+01 2.8504E+00 1.0469E+01 O6 3286 15.999400 -0.847600 -1.8521E+01 -5.5498E+00 1.7554E+01 H1 3287 1.008000 0.423800 -1.8773E+01 -5.0685E+00 1.8393E+01 H2 3288 1.008000 0.423800 -1.8499E+01 -6.5343E+00 1.7728E+01 O6 3289 15.999400 -0.847600 -8.6898E+00 -1.6976E+01 3.1657E+00 H1 3290 1.008000 0.423800 -9.1173E+00 -1.6483E+01 3.9234E+00 H2 3291 1.008000 0.423800 -7.6956E+00 -1.6948E+01 3.2687E+00 O6 3292 15.999400 -0.847600 5.8064E+00 2.7592E+00 1.8233E+01 H1 3293 1.008000 0.423800 5.6653E+00 2.7742E+00 1.9223E+01 H2 3294 1.008000 0.423800 4.9414E+00 2.9530E+00 1.7771E+01 O6 3295 15.999400 -0.847600 -7.3505E+00 7.9651E+00 1.6891E+01 H1 3296 1.008000 0.423800 -6.3861E+00 7.7811E+00 1.6700E+01 H2 3297 1.008000 0.423800 -7.6878E+00 8.6624E+00 1.6258E+01 O6 3298 15.999400 -0.847600 -9.6817E+00 -8.9415E-01 -1.6721E+00 H1 3299 1.008000 0.423800 -1.0219E+01 -1.6993E+00 -1.9232E+00 H2 3300 1.008000 0.423800 -1.0298E+01 -1.5021E-01 -1.4126E+00 O6 3301 15.999400 -0.847600 -8.0367E+00 -8.8636E+00 -1.0159E+01 H1 3302 1.008000 0.423800 -7.3567E+00 -8.1306E+00 -1.0179E+01 H2 3303 1.008000 0.423800 -8.9405E+00 -8.4852E+00 -1.0359E+01 O6 3304 15.999400 -0.847600 -1.4417E+01 -7.9170E+00 1.7881E-01 H1 3305 1.008000 0.423800 -1.5412E+01 -7.9425E+00 8.0188E-02 H2 3306 1.008000 0.423800 -1.4046E+01 -8.8370E+00 5.2440E-02 O6 3307 15.999400 -0.847600 3.0363E+00 4.3238E+00 4.5850E+00 H1 3308 1.008000 0.423800 2.6686E+00 5.2513E+00 4.5172E+00 H2 3309 1.008000 0.423800 3.5140E+00 4.0920E+00 3.7376E+00 O6 3310 15.999400 -0.847600 -1.0540E+01 -3.5751E-01 1.1990E+01 H1 3311 1.008000 0.423800 -1.1288E+01 2.6409E-01 1.2223E+01 H2 3312 1.008000 0.423800 -9.7902E+00 1.6226E-01 1.1581E+01 O6 3313 15.999400 -0.847600 1.1999E+01 1.1274E+01 1.4188E+01 H1 3314 1.008000 0.423800 1.2119E+01 1.0441E+01 1.4729E+01 H2 3315 1.008000 0.423800 1.2779E+01 1.1882E+01 1.4335E+01 O6 3316 15.999400 -0.847600 -9.1255E+00 -4.5073E+00 9.0177E+00 H1 3317 1.008000 0.423800 -9.2850E+00 -3.6211E+00 8.5827E+00 H2 3318 1.008000 0.423800 -9.3628E+00 -5.2394E+00 8.3792E+00 O6 3319 15.999400 -0.847600 2.0397E+00 1.7713E+01 -1.8825E+01 H1 3320 1.008000 0.423800 2.4544E+00 1.7674E+01 1.9364E+01 H2 3321 1.008000 0.423800 2.1281E+00 1.6822E+01 -1.8380E+01 O6 3322 15.999400 -0.847600 -5.0959E+00 -4.6600E+00 -9.7974E+00 H1 3323 1.008000 0.423800 -4.8778E+00 -5.2642E+00 -1.0564E+01 H2 3324 1.008000 0.423800 -4.3360E+00 -4.0283E+00 -9.6444E+00 O6 3325 15.999400 -0.847600 1.3306E+01 -4.4489E+00 -1.4623E+01 H1 3326 1.008000 0.423800 1.2306E+01 -4.4562E+00 -1.4596E+01 H2 3327 1.008000 0.423800 1.3619E+01 -4.7899E+00 -1.5509E+01 O6 3328 15.999400 -0.847600 -1.5005E+01 1.5231E+01 -1.6064E+01 H1 3329 1.008000 0.423800 -1.5164E+01 1.4612E+01 -1.5295E+01 H2 3330 1.008000 0.423800 -1.4234E+01 1.5832E+01 -1.5855E+01 O6 3331 15.999400 -0.847600 2.3019E+00 -3.0627E+00 1.8650E+01 H1 3332 1.008000 0.423800 1.4138E+00 -2.6572E+00 1.8867E+01 H2 3333 1.008000 0.423800 2.6958E+00 -3.4636E+00 1.9477E+01 O6 3334 15.999400 -0.847600 3.1021E+00 -3.8920E+00 1.0067E+01 H1 3335 1.008000 0.423800 3.7537E+00 -4.0221E+00 9.3197E+00 H2 3336 1.008000 0.423800 3.2827E+00 -4.5621E+00 1.0787E+01 O6 3337 15.999400 -0.847600 1.1320E+00 -5.9432E+00 1.4785E+01 H1 3338 1.008000 0.423800 2.0060E+00 -6.3750E+00 1.5008E+01 H2 3339 1.008000 0.423800 7.4105E-01 -5.5365E+00 1.5611E+01 O6 3340 15.999400 -0.847600 3.9649E+00 -2.4866E+00 -1.6289E+01 H1 3341 1.008000 0.423800 3.5559E+00 -3.2820E+00 -1.5842E+01 H2 3342 1.008000 0.423800 4.3807E+00 -2.7679E+00 -1.7154E+01 O6 3343 15.999400 -0.847600 1.3340E+01 -1.2559E+01 -6.2353E+00 H1 3344 1.008000 0.423800 1.3908E+01 -1.1737E+01 -6.1925E+00 H2 3345 1.008000 0.423800 1.2995E+01 -1.2773E+01 -5.3217E+00 O6 3346 15.999400 -0.847600 6.5279E+00 -5.0687E+00 -2.2100E+00 H1 3347 1.008000 0.423800 6.3775E+00 -5.8155E+00 -1.5621E+00 H2 3348 1.008000 0.423800 5.9618E+00 -5.2126E+00 -3.0217E+00 O6 3349 15.999400 -0.847600 -7.0631E+00 -1.0751E+01 -8.5535E+00 H1 3350 1.008000 0.423800 -7.4422E+00 -9.9728E+00 -9.0547E+00 H2 3351 1.008000 0.423800 -6.0667E+00 -1.0672E+01 -8.5207E+00 O6 3352 15.999400 -0.847600 6.6623E+00 1.5979E+01 -9.1946E-01 H1 3353 1.008000 0.423800 6.0420E+00 1.6292E+01 -1.6388E+00 H2 3354 1.008000 0.423800 6.1438E+00 1.5476E+01 -2.2744E-01 O6 3355 15.999400 -0.847600 7.6813E+00 -1.1064E+01 -1.6432E+01 H1 3356 1.008000 0.423800 8.3065E+00 -1.1413E+01 -1.7130E+01 H2 3357 1.008000 0.423800 7.6060E+00 -1.1729E+01 -1.5689E+01 O6 3358 15.999400 -0.847600 1.3273E+01 4.7139E+00 -1.1301E+01 H1 3359 1.008000 0.423800 1.3583E+01 5.5485E+00 -1.0846E+01 H2 3360 1.008000 0.423800 1.2463E+01 4.3604E+00 -1.0834E+01 O6 3361 15.999400 -0.847600 1.3190E+01 1.0196E+01 -1.6863E+01 H1 3362 1.008000 0.423800 1.2572E+01 9.6931E+00 -1.7467E+01 H2 3363 1.008000 0.423800 1.3905E+01 1.0635E+01 -1.7408E+01 O6 3364 15.999400 -0.847600 1.2389E+01 1.4519E+01 -1.6894E+01 H1 3365 1.008000 0.423800 1.3133E+01 1.4137E+01 -1.6346E+01 H2 3366 1.008000 0.423800 1.1651E+01 1.4820E+01 -1.6291E+01 O6 3367 15.999400 -0.847600 5.8309E+00 -8.1935E+00 4.8223E+00 H1 3368 1.008000 0.423800 6.0692E+00 -9.1645E+00 4.8002E+00 H2 3369 1.008000 0.423800 5.5650E+00 -7.9367E+00 5.7515E+00 O6 3370 15.999400 -0.847600 8.7292E+00 -4.4630E+00 -3.5842E+00 H1 3371 1.008000 0.423800 7.9950E+00 -4.8105E+00 -3.0007E+00 H2 3372 1.008000 0.423800 8.7706E+00 -3.4667E+00 -3.5100E+00 O6 3373 15.999400 -0.847600 1.3071E+01 5.5595E+00 -1.7577E-01 H1 3374 1.008000 0.423800 1.2687E+01 6.1449E+00 -8.9010E-01 H2 3375 1.008000 0.423800 1.2769E+01 4.6171E+00 -3.1938E-01 O6 3376 15.999400 -0.847600 -1.1113E+01 4.5067E+00 1.8214E+01 H1 3377 1.008000 0.423800 -1.1280E+01 3.5266E+00 1.8107E+01 H2 3378 1.008000 0.423800 -1.0337E+01 4.6474E+00 1.8829E+01 O6 3379 15.999400 -0.847600 6.3943E+00 7.3546E+00 5.9481E+00 H1 3380 1.008000 0.423800 5.7482E+00 6.6101E+00 6.1166E+00 H2 3381 1.008000 0.423800 7.2883E+00 6.9733E+00 5.7129E+00 O6 3382 15.999400 -0.847600 -2.5500E+00 -1.4073E+00 5.9513E+00 H1 3383 1.008000 0.423800 -1.8651E+00 -6.8779E-01 5.8358E+00 H2 3384 1.008000 0.423800 -2.9184E+00 -1.3707E+00 6.8802E+00 O6 3385 15.999400 -0.847600 -1.2257E+01 -2.6970E+00 1.1565E+01 H1 3386 1.008000 0.423800 -1.1782E+01 -1.8195E+00 1.1500E+01 H2 3387 1.008000 0.423800 -1.1715E+01 -3.3295E+00 1.2118E+01 O6 3388 15.999400 -0.847600 1.4515E+01 -1.1943E+01 -1.7716E+01 H1 3389 1.008000 0.423800 1.3969E+01 -1.2681E+01 -1.8114E+01 H2 3390 1.008000 0.423800 1.5119E+01 -1.2318E+01 -1.7013E+01 O6 3391 15.999400 -0.847600 -9.5534E+00 7.5782E+00 3.9754E+00 H1 3392 1.008000 0.423800 -8.6344E+00 7.3621E+00 4.3051E+00 H2 3393 1.008000 0.423800 -9.5383E+00 7.6652E+00 2.9793E+00 O6 3394 15.999400 -0.847600 -1.7605E+01 1.3309E+01 6.1566E+00 H1 3395 1.008000 0.423800 -1.7042E+01 1.3792E+01 6.8280E+00 H2 3396 1.008000 0.423800 -1.7950E+01 1.2461E+01 6.5586E+00 O6 3397 15.999400 -0.847600 -1.2840E+01 -5.1029E+00 9.2057E+00 H1 3398 1.008000 0.423800 -1.3406E+01 -4.5794E+00 9.8423E+00 H2 3399 1.008000 0.423800 -1.1881E+01 -4.8435E+00 9.3216E+00 O6 3400 15.999400 -0.847600 -1.0525E+01 5.0653E+00 -9.6414E+00 H1 3401 1.008000 0.423800 -1.0094E+01 5.0494E+00 -1.0543E+01 H2 3402 1.008000 0.423800 -1.1510E+01 4.9223E+00 -9.7405E+00 O6 3403 15.999400 -0.847600 4.5383E+00 1.9079E+01 -1.6507E+01 H1 3404 1.008000 0.423800 5.0687E+00 1.8775E+01 -1.5715E+01 H2 3405 1.008000 0.423800 3.5640E+00 1.9059E+01 -1.6282E+01 O6 3406 15.999400 -0.847600 1.7659E+01 -1.7063E+01 -1.8608E+01 H1 3407 1.008000 0.423800 1.8430E+01 -1.7114E+01 -1.9243E+01 H2 3408 1.008000 0.423800 1.6831E+01 -1.7391E+01 -1.9063E+01 O6 3409 15.999400 -0.847600 -1.4640E+01 -7.6284E+00 3.3306E+00 H1 3410 1.008000 0.423800 -1.5134E+01 -8.3788E+00 2.8919E+00 H2 3411 1.008000 0.423800 -1.4909E+01 -6.7616E+00 2.9110E+00 O6 3412 15.999400 -0.847600 4.4671E+00 -1.5151E+01 5.4155E+00 H1 3413 1.008000 0.423800 4.6186E+00 -1.6090E+01 5.7258E+00 H2 3414 1.008000 0.423800 3.6302E+00 -1.5112E+01 4.8697E+00 O6 3415 15.999400 -0.847600 -3.0365E+00 4.7579E+00 1.8172E+01 H1 3416 1.008000 0.423800 -2.5719E+00 4.5647E+00 1.9036E+01 H2 3417 1.008000 0.423800 -3.2745E+00 5.7284E+00 1.8131E+01 O6 3418 15.999400 -0.847600 1.6746E+01 1.8621E+01 -7.0510E+00 H1 3419 1.008000 0.423800 1.7689E+01 1.8778E+01 -6.7556E+00 H2 3420 1.008000 0.423800 1.6533E+01 1.9225E+01 -7.8194E+00 O6 3421 15.999400 -0.847600 1.1689E+01 -4.5690E+00 1.5749E+01 H1 3422 1.008000 0.423800 1.2601E+01 -4.9788E+00 1.5791E+01 H2 3423 1.008000 0.423800 1.1202E+01 -4.7498E+00 1.6603E+01 O6 3424 15.999400 -0.847600 1.3927E+01 5.9588E+00 1.6262E+01 H1 3425 1.008000 0.423800 1.3360E+01 5.9026E+00 1.7083E+01 H2 3426 1.008000 0.423800 1.4212E+01 6.9065E+00 1.6117E+01 O6 3427 15.999400 -0.847600 -1.8159E+01 -6.3532E+00 -8.2231E+00 H1 3428 1.008000 0.423800 -1.8302E+01 -5.6299E+00 -7.5475E+00 H2 3429 1.008000 0.423800 -1.8165E+01 -7.2425E+00 -7.7657E+00 O6 3430 15.999400 -0.847600 -1.1168E+01 -5.3346E+00 -2.9483E+00 H1 3431 1.008000 0.423800 -1.1707E+01 -6.1715E+00 -3.0425E+00 H2 3432 1.008000 0.423800 -1.0363E+01 -5.3879E+00 -3.5401E+00 O6 3433 15.999400 -0.847600 -1.6139E+01 1.1566E+01 -1.2339E+01 H1 3434 1.008000 0.423800 -1.5599E+01 1.1016E+01 -1.1702E+01 H2 3435 1.008000 0.423800 -1.7112E+01 1.1422E+01 -1.2163E+01 O6 3436 15.999400 -0.847600 1.0032E+01 -1.7817E+01 -1.9391E+01 H1 3437 1.008000 0.423800 9.6534E+00 -1.7619E+01 -1.8487E+01 H2 3438 1.008000 0.423800 9.5467E+00 -1.8592E+01 1.9304E+01 O6 3439 15.999400 -0.847600 -6.1994E+00 1.6362E+01 1.1543E+01 H1 3440 1.008000 0.423800 -6.8680E+00 1.6919E+01 1.1051E+01 H2 3441 1.008000 0.423800 -6.2288E+00 1.6588E+01 1.2516E+01 O6 3442 15.999400 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8.9223E+00 -1.0599E+01 H2 3459 1.008000 0.423800 -1.5837E+01 9.9719E+00 -9.5776E+00 O6 3460 15.999400 -0.847600 -4.1970E+00 -1.0597E+01 4.2046E+00 H1 3461 1.008000 0.423800 -4.5080E+00 -1.0416E+01 5.1377E+00 H2 3462 1.008000 0.423800 -4.7362E+00 -1.0052E+01 3.5623E+00 O6 3463 15.999400 -0.847600 1.2199E+01 3.0963E+00 -1.2385E+00 H1 3464 1.008000 0.423800 1.2988E+01 2.6023E+00 -8.7339E-01 H2 3465 1.008000 0.423800 1.1521E+01 2.4414E+00 -1.5710E+00 O6 3466 15.999400 -0.847600 1.8524E+01 -9.9690E-01 -1.5241E+01 H1 3467 1.008000 0.423800 1.8999E+01 -1.5135E+00 -1.5954E+01 H2 3468 1.008000 0.423800 1.7588E+01 -8.0416E-01 -1.5537E+01 O6 3469 15.999400 -0.847600 -7.6573E+00 1.5981E+00 1.7387E+01 H1 3470 1.008000 0.423800 -6.6915E+00 1.7207E+00 1.7159E+01 H2 3471 1.008000 0.423800 -8.0057E+00 2.4297E+00 1.7820E+01 O6 3472 15.999400 -0.847600 -6.3098E+00 1.6981E+00 2.6034E+00 H1 3473 1.008000 0.423800 -6.6340E+00 7.7486E-01 2.8096E+00 H2 3474 1.008000 0.423800 -6.8716E+00 2.3655E+00 3.0922E+00 O6 3475 15.999400 -0.847600 2.0003E+00 7.5302E+00 -1.7812E+01 H1 3476 1.008000 0.423800 2.7654E+00 6.8953E+00 -1.7919E+01 H2 3477 1.008000 0.423800 2.3118E+00 8.4620E+00 -1.7998E+01 O6 3478 15.999400 -0.847600 -1.1818E+01 -5.5990E+00 1.2879E+01 H1 3479 1.008000 0.423800 -1.0868E+01 -5.9108E+00 1.2887E+01 H2 3480 1.008000 0.423800 -1.2406E+01 -6.3300E+00 1.2532E+01 O6 3481 15.999400 -0.847600 -6.6629E+00 1.8186E+01 -9.5331E+00 H1 3482 1.008000 0.423800 -7.6329E+00 1.8007E+01 -9.6984E+00 H2 3483 1.008000 0.423800 -6.5286E+00 1.9161E+01 -9.3572E+00 O6 3484 15.999400 -0.847600 -1.7100E+01 -1.0521E+01 1.3550E+01 H1 3485 1.008000 0.423800 -1.6919E+01 -1.1148E+01 1.2792E+01 H2 3486 1.008000 0.423800 -1.8086E+01 -1.0374E+01 1.3632E+01 O6 3487 15.999400 -0.847600 -1.1839E+01 -1.7364E+01 -5.0100E-01 H1 3488 1.008000 0.423800 -1.2546E+01 -1.7732E+01 1.0268E-01 H2 3489 1.008000 0.423800 -1.1272E+01 -1.8112E+01 -8.4585E-01 O6 3490 15.999400 -0.847600 -1.7835E+01 1.2855E+01 1.7346E+00 H1 3491 1.008000 0.423800 -1.6872E+01 1.2584E+01 1.7577E+00 H2 3492 1.008000 0.423800 -1.8048E+01 1.3397E+01 2.5470E+00 O6 3493 15.999400 -0.847600 1.1421E+01 -1.4785E+01 3.4260E+00 H1 3494 1.008000 0.423800 1.1127E+01 -1.5225E+01 2.5779E+00 H2 3495 1.008000 0.423800 1.0795E+01 -1.4037E+01 3.6476E+00 O6 3496 15.999400 -0.847600 -7.2683E+00 1.4478E+01 -1.6659E+01 H1 3497 1.008000 0.423800 -7.6078E+00 1.5135E+01 -1.7332E+01 H2 3498 1.008000 0.423800 -7.7995E+00 1.3633E+01 -1.6721E+01 O6 3499 15.999400 -0.847600 -1.2755E+01 1.3591E+01 -9.8085E+00 H1 3500 1.008000 0.423800 -1.3154E+01 1.2834E+01 -9.2923E+00 H2 3501 1.008000 0.423800 -1.2623E+01 1.4375E+01 -9.2014E+00 O6 3502 15.999400 -0.847600 -8.5238E+00 -1.4247E+01 -1.4070E+01 H1 3503 1.008000 0.423800 -9.4976E+00 -1.4085E+01 -1.3911E+01 H2 3504 1.008000 0.423800 -8.0300E+00 -1.4189E+01 -1.3203E+01 O6 3505 15.999400 -0.847600 7.4289E+00 -1.4254E+01 1.9160E+01 H1 3506 1.008000 0.423800 6.6890E+00 -1.4719E+01 1.8674E+01 H2 3507 1.008000 0.423800 8.3022E+00 -1.4680E+01 1.8924E+01 O6 3508 15.999400 -0.847600 -1.8526E+01 1.7828E+01 2.6148E+00 H1 3509 1.008000 0.423800 -1.7814E+01 1.7162E+01 2.8370E+00 H2 3510 1.008000 0.423800 -1.8108E+01 1.8722E+01 2.4531E+00 O6 3511 15.999400 -0.847600 -1.3007E+00 -7.0840E+00 2.2602E+00 H1 3512 1.008000 0.423800 -2.1299E+00 -6.5841E+00 2.5106E+00 H2 3513 1.008000 0.423800 -1.2033E+00 -7.8848E+00 2.8511E+00 O6 3514 15.999400 -0.847600 1.2395E+01 -3.7797E-01 1.5809E+00 H1 3515 1.008000 0.423800 1.2593E+01 -1.0381E+00 8.5627E-01 H2 3516 1.008000 0.423800 1.1877E+01 -8.2744E-01 2.3087E+00 O6 3517 15.999400 -0.847600 4.0660E+00 -1.1632E+00 -5.6166E+00 H1 3518 1.008000 0.423800 3.8273E+00 -1.7036E+00 -4.8097E+00 H2 3519 1.008000 0.423800 5.0518E+00 -1.2184E+00 -5.7750E+00 O6 3520 15.999400 -0.847600 1.8710E+01 4.2927E-01 1.0159E+01 H1 3521 1.008000 0.423800 1.8150E+01 -3.0078E-01 1.0550E+01 H2 3522 1.008000 0.423800 1.8244E+01 1.3062E+00 1.0276E+01 O6 3523 15.999400 -0.847600 -1.2004E+01 8.8868E+00 1.7920E+01 H1 3524 1.008000 0.423800 -1.2036E+01 8.0666E+00 1.7349E+01 H2 3525 1.008000 0.423800 -1.2667E+01 8.8003E+00 1.8664E+01 O6 3526 15.999400 -0.847600 -1.9149E+01 1.3966E+01 -1.2123E+01 H1 3527 1.008000 0.423800 -1.8935E+01 1.4025E+01 -1.3098E+01 H2 3528 1.008000 0.423800 -1.9177E+01 1.3006E+01 -1.1845E+01 O6 3529 15.999400 -0.847600 2.2360E+00 8.3033E-01 1.7319E+01 H1 3530 1.008000 0.423800 1.6177E+00 5.0137E-02 1.7224E+01 H2 3531 1.008000 0.423800 2.9752E+00 5.9497E-01 1.7950E+01 O6 3532 15.999400 -0.847600 5.9448E+00 -1.2341E+01 1.3313E+01 H1 3533 1.008000 0.423800 6.8165E+00 -1.1863E+01 1.3205E+01 H2 3534 1.008000 0.423800 5.2687E+00 -1.1946E+01 1.2691E+01 O6 3535 15.999400 -0.847600 -6.2144E+00 9.5828E+00 5.9441E+00 H1 3536 1.008000 0.423800 -7.1820E+00 9.5505E+00 6.1946E+00 H2 3537 1.008000 0.423800 -5.7086E+00 8.9070E+00 6.4802E+00 O6 3538 15.999400 -0.847600 -1.4771E+01 -1.0099E+01 -5.3305E+00 H1 3539 1.008000 0.423800 -1.4087E+01 -1.0417E+01 -4.6739E+00 H2 3540 1.008000 0.423800 -1.4327E+01 -9.9048E+00 -6.2057E+00 O6 3541 15.999400 -0.847600 1.4514E+01 8.8374E+00 2.4586E+00 H1 3542 1.008000 0.423800 1.4952E+01 8.8796E+00 3.3567E+00 H2 3543 1.008000 0.423800 1.4730E+01 7.9633E+00 2.0234E+00 O6 3544 15.999400 -0.847600 -3.2311E+00 1.6218E+01 -1.6093E+01 H1 3545 1.008000 0.423800 -3.4598E+00 1.7116E+01 -1.6469E+01 H2 3546 1.008000 0.423800 -3.7937E+00 1.5519E+01 -1.6534E+01 O6 3547 15.999400 -0.847600 1.1229E+01 1.6937E+01 6.7777E+00 H1 3548 1.008000 0.423800 1.0897E+01 1.6717E+01 5.8603E+00 H2 3549 1.008000 0.423800 1.1903E+01 1.7673E+01 6.7204E+00 O6 3550 15.999400 -0.847600 2.0608E+00 -8.2158E+00 3.7371E+00 H1 3551 1.008000 0.423800 1.7244E+00 -7.3983E+00 3.2694E+00 H2 3552 1.008000 0.423800 1.7860E+00 -8.1867E+00 4.6981E+00 O6 3553 15.999400 -0.847600 -6.1517E+00 -1.6541E+01 1.3496E+01 H1 3554 1.008000 0.423800 -5.5109E+00 -1.5785E+01 1.3633E+01 H2 3555 1.008000 0.423800 -6.3512E+00 -1.6635E+01 1.2520E+01 O6 3556 15.999400 -0.847600 -1.4195E-01 1.8609E+01 8.5444E+00 H1 3557 1.008000 0.423800 2.5530E-01 1.7699E+01 8.4206E+00 H2 3558 1.008000 0.423800 -7.1989E-03 1.8905E+01 9.4898E+00 O6 3559 15.999400 -0.847600 1.1452E+01 -3.5019E+00 -1.8947E+01 H1 3560 1.008000 0.423800 1.0729E+01 -3.0213E+00 -1.8451E+01 H2 3561 1.008000 0.423800 1.1703E+01 -2.9775E+00 1.9336E+01 O6 3562 15.999400 -0.847600 -8.6846E+00 -1.3303E+00 1.0363E+00 H1 3563 1.008000 0.423800 -8.8595E+00 -1.4722E+00 6.1941E-02 H2 3564 1.008000 0.423800 -9.5075E+00 -1.5541E+00 1.5586E+00 O6 3565 15.999400 -0.847600 -7.9167E+00 1.3801E+01 1.2778E+01 H1 3566 1.008000 0.423800 -8.0115E+00 1.4747E+01 1.3091E+01 H2 3567 1.008000 0.423800 -8.8096E+00 1.3454E+01 1.2492E+01 O6 3568 15.999400 -0.847600 1.0449E+01 6.6684E+00 -1.8670E+01 H1 3569 1.008000 0.423800 9.5270E+00 6.3414E+00 -1.8461E+01 H2 3570 1.008000 0.423800 1.1103E+01 6.2425E+00 -1.8046E+01 O6 3571 15.999400 -0.847600 -1.9343E+01 -4.7558E+00 -6.5172E+00 H1 3572 1.008000 0.423800 -1.9352E+01 -3.7563E+00 -6.4845E+00 H2 3573 1.008000 0.423800 -1.9429E+01 -5.1203E+00 -5.5901E+00 O6 3574 15.999400 -0.847600 -1.2373E+01 -8.5829E+00 1.9342E+01 H1 3575 1.008000 0.423800 -1.3289E+01 -8.8017E+00 1.9006E+01 H2 3576 1.008000 0.423800 -1.1956E+01 -7.8936E+00 1.8749E+01 O6 3577 15.999400 -0.847600 -4.9463E+00 -1.2956E+01 9.6911E+00 H1 3578 1.008000 0.423800 -5.4602E+00 -1.2505E+01 8.9611E+00 H2 3579 1.008000 0.423800 -4.6516E+00 -1.2274E+01 1.0361E+01 O6 3580 15.999400 -0.847600 -1.3568E+01 -8.5226E-01 -7.1628E-01 H1 3581 1.008000 0.423800 -1.3953E+01 -4.2953E-01 -1.5368E+00 H2 3582 1.008000 0.423800 -1.2658E+01 -4.7651E-01 -5.4352E-01 O6 3583 15.999400 -0.847600 -1.2519E+01 -8.2169E-01 -1.3943E+01 H1 3584 1.008000 0.423800 -1.1643E+01 -8.7842E-01 -1.4422E+01 H2 3585 1.008000 0.423800 -1.2359E+01 -6.0769E-01 -1.2979E+01 O6 3586 15.999400 -0.847600 -1.4389E+00 1.2074E+00 -2.1314E+00 H1 3587 1.008000 0.423800 -2.1348E+00 1.9250E+00 -2.1022E+00 H2 3588 1.008000 0.423800 -1.7701E+00 4.4440E-01 -2.6864E+00 O6 3589 15.999400 -0.847600 8.9344E+00 4.1587E+00 1.0172E+01 H1 3590 1.008000 0.423800 8.1239E+00 4.2292E+00 9.5903E+00 H2 3591 1.008000 0.423800 9.7472E+00 4.3995E+00 9.6413E+00 O6 3592 15.999400 -0.847600 1.7733E+01 -4.5655E+00 1.8077E+01 H1 3593 1.008000 0.423800 1.8534E+01 -4.4527E+00 1.8665E+01 H2 3594 1.008000 0.423800 1.7672E+01 -5.5168E+00 1.7775E+01 O6 3595 15.999400 -0.847600 -1.0615E+01 -1.0227E+01 -2.3908E+00 H1 3596 1.008000 0.423800 -9.6707E+00 -9.9326E+00 -2.5347E+00 H2 3597 1.008000 0.423800 -1.0621E+01 -1.1139E+01 -1.9808E+00 O6 3598 15.999400 -0.847600 -9.3223E+00 1.9543E+01 -9.9300E+00 H1 3599 1.008000 0.423800 -1.0035E+01 1.9334E+01 -1.0599E+01 H2 3600 1.008000 0.423800 -9.7253E+00 -1.9067E+01 -9.1556E+00 O6 3601 15.999400 -0.847600 1.7127E+01 1.0942E+01 -6.2082E+00 H1 3602 1.008000 0.423800 1.6836E+01 1.0504E+01 -5.3576E+00 H2 3603 1.008000 0.423800 1.6995E+01 1.1930E+01 -6.1363E+00 O6 3604 15.999400 -0.847600 -1.8844E+01 1.1372E+01 -1.1118E+01 H1 3605 1.008000 0.423800 -1.9086E+01 1.0421E+01 -1.0926E+01 H2 3606 1.008000 0.423800 -1.8581E+01 1.1827E+01 -1.0268E+01 O6 3607 15.999400 -0.847600 8.4484E+00 -2.1196E+00 -1.0756E+01 H1 3608 1.008000 0.423800 9.1486E+00 -1.5369E+00 -1.0343E+01 H2 3609 1.008000 0.423800 7.6311E+00 -2.1175E+00 -1.0180E+01 O6 3610 15.999400 -0.847600 1.8619E+01 9.5038E+00 -9.6143E-01 H1 3611 1.008000 0.423800 1.8842E+01 8.5334E+00 -8.6926E-01 H2 3612 1.008000 0.423800 1.7671E+01 9.6003E+00 -1.2667E+00 O6 3613 15.999400 -0.847600 -1.5699E+01 1.0233E+01 4.2384E+00 H1 3614 1.008000 0.423800 -1.5096E+01 1.0147E+01 3.4459E+00 H2 3615 1.008000 0.423800 -1.5256E+01 9.8336E+00 5.0405E+00 O6 3616 15.999400 -0.847600 -9.8604E+00 1.5341E+01 -4.2543E+00 H1 3617 1.008000 0.423800 -9.7918E+00 1.5873E+01 -5.0984E+00 H2 3618 1.008000 0.423800 -1.0821E+01 1.5266E+01 -3.9853E+00 O6 3619 15.999400 -0.847600 1.1950E+00 -1.7543E+01 -4.1071E+00 H1 3620 1.008000 0.423800 6.5666E-01 -1.6990E+01 -4.7426E+00 H2 3621 1.008000 0.423800 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1.008000 0.423800 -6.6658E+00 -1.8734E+01 1.8054E+01 O6 3655 15.999400 -0.847600 -7.1532E+00 -1.4643E+01 1.9453E+01 H1 3656 1.008000 0.423800 -6.6438E+00 -1.4265E+01 -1.8871E+01 H2 3657 1.008000 0.423800 -6.5162E+00 -1.5068E+01 1.8810E+01 O6 3658 15.999400 -0.847600 1.8767E+01 -1.9048E+01 6.9467E+00 H1 3659 1.008000 0.423800 1.8958E+01 -1.8075E+01 6.8181E+00 H2 3660 1.008000 0.423800 1.9337E+01 1.9513E+01 6.3256E+00 O6 3661 15.999400 -0.847600 8.3931E+00 -1.8702E+01 1.5040E+01 H1 3662 1.008000 0.423800 7.6349E+00 -1.9103E+01 1.5554E+01 H2 3663 1.008000 0.423800 8.6141E+00 -1.9288E+01 1.4260E+01 O6 3664 15.999400 -0.847600 3.2503E+00 4.4781E+00 -1.1375E+01 H1 3665 1.008000 0.423800 2.2982E+00 4.1824E+00 -1.1296E+01 H2 3666 1.008000 0.423800 3.6252E+00 4.6421E+00 -1.0463E+01 O6 3667 15.999400 -0.847600 -1.4556E+01 -9.9601E+00 1.8260E+01 H1 3668 1.008000 0.423800 -1.4452E+01 -1.0862E+01 1.8680E+01 H2 3669 1.008000 0.423800 -1.4704E+01 -1.0066E+01 1.7276E+01 O6 3670 15.999400 -0.847600 9.0310E+00 1.0243E+01 1.1546E+01 H1 3671 1.008000 0.423800 9.8701E+00 1.0589E+01 1.1966E+01 H2 3672 1.008000 0.423800 9.0199E+00 9.2443E+00 1.1598E+01 O6 3673 15.999400 -0.847600 9.6637E+00 1.5435E+01 1.5211E+01 H1 3674 1.008000 0.423800 9.9213E+00 1.6273E+01 1.5692E+01 H2 3675 1.008000 0.423800 8.9298E+00 1.4976E+01 1.5711E+01 O6 3676 15.999400 -0.847600 1.6133E+01 2.6614E+00 3.6890E+00 H1 3677 1.008000 0.423800 1.6952E+01 2.7071E+00 3.1169E+00 H2 3678 1.008000 0.423800 1.5620E+01 1.8315E+00 3.4704E+00 O6 3679 15.999400 -0.847600 -1.4435E+01 -1.7735E+01 -1.5468E+01 H1 3680 1.008000 0.423800 -1.4472E+01 -1.6954E+01 -1.6092E+01 H2 3681 1.008000 0.423800 -1.3480E+01 -1.7971E+01 -1.5286E+01 O6 3682 15.999400 -0.847600 -1.6632E+01 -5.8087E+00 1.0542E+01 H1 3683 1.008000 0.423800 -1.6973E+01 -5.8123E+00 1.1482E+01 H2 3684 1.008000 0.423800 -1.5898E+01 -5.1350E+00 1.0457E+01 O6 3685 15.999400 -0.847600 -5.4731E+00 1.6019E+00 -9.0922E-02 H1 3686 1.008000 0.423800 -6.0601E+00 1.0148E+00 -6.4843E-01 H2 3687 1.008000 0.423800 -5.8630E+00 1.6890E+00 8.2577E-01 O6 3688 15.999400 -0.847600 -1.3590E+00 6.5818E+00 3.4726E+00 H1 3689 1.008000 0.423800 -7.9210E-01 6.0195E+00 4.0747E+00 H2 3690 1.008000 0.423800 -7.8499E-01 6.9983E+00 2.7676E+00 O6 3691 15.999400 -0.847600 -1.6332E+01 5.3800E-01 3.7785E+00 H1 3692 1.008000 0.423800 -1.6240E+01 -4.2517E-01 4.0312E+00 H2 3693 1.008000 0.423800 -1.5445E+01 8.9028E-01 3.4795E+00 O6 3694 15.999400 -0.847600 -2.1949E+00 -1.4228E+01 -1.6423E+01 H1 3695 1.008000 0.423800 -2.3517E+00 -1.5005E+01 -1.5814E+01 H2 3696 1.008000 0.423800 -1.9851E+00 -1.4562E+01 -1.7342E+01 O6 3697 15.999400 -0.847600 2.5808E+00 -1.8316E+00 7.7903E+00 H1 3698 1.008000 0.423800 2.7512E+00 -2.2906E+00 8.6622E+00 H2 3699 1.008000 0.423800 3.1444E+00 -1.0077E+00 7.7316E+00 O6 3700 15.999400 -0.847600 -1.7340E+01 -2.5914E+00 -4.1276E+00 H1 3701 1.008000 0.423800 -1.8149E+01 -2.6062E+00 -4.7156E+00 H2 3702 1.008000 0.423800 -1.7340E+01 -1.7526E+00 -3.5832E+00 O6 3703 15.999400 -0.847600 -9.1233E+00 -1.5232E+01 1.2115E+01 H1 3704 1.008000 0.423800 -9.6802E+00 -1.5361E+01 1.1295E+01 H2 3705 1.008000 0.423800 -9.1458E+00 -1.6066E+01 1.2668E+01 O6 3706 15.999400 -0.847600 -1.7834E+01 -1.6604E+01 -1.6398E+01 H1 3707 1.008000 0.423800 -1.7403E+01 -1.6429E+01 -1.5512E+01 H2 3708 1.008000 0.423800 -1.7691E+01 -1.5818E+01 -1.7000E+01 O6 3709 15.999400 -0.847600 -1.4680E+01 1.5988E+01 9.7003E+00 H1 3710 1.008000 0.423800 -1.4153E+01 1.5138E+01 9.7023E+00 H2 3711 1.008000 0.423800 -1.4801E+01 1.6307E+01 1.0640E+01 O6 3712 15.999400 -0.847600 1.8669E+00 1.7058E+01 1.1320E+01 H1 3713 1.008000 0.423800 2.5068E+00 1.6816E+01 1.0591E+01 H2 3714 1.008000 0.423800 2.3605E+00 1.7520E+01 1.2057E+01 O6 3715 15.999400 -0.847600 -1.6227E+01 -1.9390E+01 6.6106E+00 H1 3716 1.008000 0.423800 -1.5950E+01 1.9237E+01 7.4481E+00 H2 3717 1.008000 0.423800 -1.6877E+01 1.9137E+01 6.1080E+00 O6 3718 15.999400 -0.847600 2.2253E+00 1.3585E+01 9.9041E+00 H1 3719 1.008000 0.423800 1.8869E+00 1.4447E+01 1.0282E+01 H2 3720 1.008000 0.423800 2.2208E+00 1.3634E+01 8.9053E+00 O6 3721 15.999400 -0.847600 -1.9321E+01 -1.7645E+01 -1.0734E+01 H1 3722 1.008000 0.423800 1.9219E+01 -1.6898E+01 -1.1098E+01 H2 3723 1.008000 0.423800 1.9265E+01 -1.8502E+01 -1.0796E+01 O6 3724 15.999400 -0.847600 -1.3893E+00 -7.8477E+00 -4.6359E-01 H1 3725 1.008000 0.423800 -1.3047E+00 -7.7588E+00 5.2887E-01 H2 3726 1.008000 0.423800 -2.3504E+00 -7.7600E+00 -7.2533E-01 O6 3727 15.999400 -0.847600 -4.1013E+00 1.7111E+01 1.8208E+01 H1 3728 1.008000 0.423800 -3.1233E+00 1.7288E+01 1.8098E+01 H2 3729 1.008000 0.423800 -4.2311E+00 1.6299E+01 1.8776E+01 O6 3730 15.999400 -0.847600 4.0536E+00 4.1097E+00 -1.6562E+01 H1 3731 1.008000 0.423800 4.4871E+00 4.3800E+00 -1.5702E+01 H2 3732 1.008000 0.423800 3.8805E+00 4.9226E+00 -1.7118E+01 O6 3733 15.999400 -0.847600 -8.5685E+00 1.5400E+01 3.2400E+00 H1 3734 1.008000 0.423800 -7.6569E+00 1.5319E+01 3.6429E+00 H2 3735 1.008000 0.423800 -8.4869E+00 1.5500E+01 2.2484E+00 O6 3736 15.999400 -0.847600 8.0387E+00 7.0602E+00 1.1789E+01 H1 3737 1.008000 0.423800 8.4471E+00 6.7961E+00 1.0915E+01 H2 3738 1.008000 0.423800 8.6281E+00 6.7568E+00 1.2537E+01 O6 3739 15.999400 -0.847600 7.2522E+00 -9.4935E-01 3.1563E+00 H1 3740 1.008000 0.423800 8.1877E+00 -1.2018E+00 3.4037E+00 H2 3741 1.008000 0.423800 7.1875E+00 -8.4116E-01 2.1642E+00 O6 3742 15.999400 -0.847600 6.8706E+00 1.6941E+01 4.6573E+00 H1 3743 1.008000 0.423800 7.0238E+00 1.7898E+01 4.9020E+00 H2 3744 1.008000 0.423800 7.7474E+00 1.6504E+01 4.4572E+00 O6 3745 15.999400 -0.847600 -1.6676E+01 -1.3730E+01 2.5446E+00 H1 3746 1.008000 0.423800 -1.7672E+01 -1.3756E+01 2.6311E+00 H2 3747 1.008000 0.423800 -1.6427E+01 -1.3277E+01 1.6886E+00 O6 3748 15.999400 -0.847600 1.0763E+01 1.9362E+01 -1.1251E+01 H1 3749 1.008000 0.423800 1.0462E+01 -1.8804E+01 -1.1048E+01 H2 3750 1.008000 0.423800 1.1430E+01 1.9382E+01 -1.1995E+01 O6 3751 15.999400 -0.847600 -7.8644E-01 -1.8003E+01 7.8168E+00 H1 3752 1.008000 0.423800 -2.8249E-01 -1.7554E+01 8.5548E+00 H2 3753 1.008000 0.423800 -6.8668E-01 -1.8994E+01 7.9002E+00 O6 3754 15.999400 -0.847600 8.3201E+00 7.4448E+00 -1.6608E+01 H1 3755 1.008000 0.423800 8.2380E+00 6.6421E+00 -1.7199E+01 H2 3756 1.008000 0.423800 8.8718E+00 7.2136E+00 -1.5807E+01 O6 3757 15.999400 -0.847600 -1.1863E+01 -1.1610E+01 1.6789E+01 H1 3758 1.008000 0.423800 -1.1625E+01 -1.2025E+01 1.5910E+01 H2 3759 1.008000 0.423800 -1.2541E+01 -1.0890E+01 1.6644E+01 O6 3760 15.999400 -0.847600 -1.6019E+01 -1.5266E+01 -7.7681E+00 H1 3761 1.008000 0.423800 -1.5519E+01 -1.4640E+01 -7.1703E+00 H2 3762 1.008000 0.423800 -1.5373E+01 -1.5877E+01 -8.2260E+00 O6 3763 15.999400 -0.847600 -1.1447E+01 -1.6433E+01 -1.2039E+01 H1 3764 1.008000 0.423800 -1.0534E+01 -1.6815E+01 -1.1900E+01 H2 3765 1.008000 0.423800 -1.2041E+01 -1.6704E+01 -1.1282E+01 O6 3766 15.999400 -0.847600 1.1531E+01 -2.7247E+00 -2.8666E+00 H1 3767 1.008000 0.423800 1.0685E+01 -2.2088E+00 -3.0037E+00 H2 3768 1.008000 0.423800 1.1700E+01 -3.3061E+00 -3.6626E+00 O6 3769 15.999400 -0.847600 -3.3235E+00 8.6638E+00 2.4484E+00 H1 3770 1.008000 0.423800 -3.4943E+00 9.2397E+00 3.2479E+00 H2 3771 1.008000 0.423800 -2.8255E+00 7.8433E+00 2.7290E+00 O6 3772 15.999400 -0.847600 -1.3296E+01 -2.8842E+00 -1.5505E+01 H1 3773 1.008000 0.423800 -1.3062E+01 -2.4277E+00 -1.6363E+01 H2 3774 1.008000 0.423800 -1.3165E+01 -2.2490E+00 -1.4743E+01 O6 3775 15.999400 -0.847600 -9.7117E+00 6.5432E+00 -7.6533E+00 H1 3776 1.008000 0.423800 -9.7963E+00 5.9016E+00 -8.4157E+00 H2 3777 1.008000 0.423800 -9.8215E+00 7.4781E+00 -7.9908E+00 O6 3778 15.999400 -0.847600 1.9211E+00 -9.7056E+00 -1.8087E+01 H1 3779 1.008000 0.423800 1.5119E+00 -8.8513E+00 -1.8408E+01 H2 3780 1.008000 0.423800 1.6085E+00 -1.0461E+01 -1.8663E+01 O6 3781 15.999400 -0.847600 -6.2616E+00 -1.3638E+01 -6.2065E+00 H1 3782 1.008000 0.423800 -5.4819E+00 -1.3723E+01 -6.8268E+00 H2 3783 1.008000 0.423800 -6.7118E+00 -1.4526E+01 -6.1125E+00 O6 3784 15.999400 -0.847600 -1.1236E+01 -4.0126E+00 -9.2428E+00 H1 3785 1.008000 0.423800 -1.1117E+01 -3.0246E+00 -9.3410E+00 H2 3786 1.008000 0.423800 -1.1100E+01 -4.2714E+00 -8.2866E+00 O6 3787 15.999400 -0.847600 1.2997E+01 -1.6632E+01 -1.4953E+00 H1 3788 1.008000 0.423800 1.2551E+01 -1.5838E+01 -1.0801E+00 H2 3789 1.008000 0.423800 1.2817E+01 -1.6638E+01 -2.4791E+00 O6 3790 15.999400 -0.847600 -8.1161E+00 1.0245E+01 1.5670E+01 H1 3791 1.008000 0.423800 -9.0637E+00 1.0490E+01 1.5876E+01 H2 3792 1.008000 0.423800 -8.0321E+00 1.0024E+01 1.4699E+01 O6 3793 15.999400 -0.847600 -1.2227E+01 -1.0070E+00 1.4977E+01 H1 3794 1.008000 0.423800 -1.2239E+01 -4.3566E-01 1.4157E+01 H2 3795 1.008000 0.423800 -1.2627E+01 -1.8992E+00 1.4768E+01 O6 3796 15.999400 -0.847600 4.2286E+00 6.1109E+00 -1.8455E+01 H1 3797 1.008000 0.423800 4.1092E+00 5.6651E+00 -1.9342E+01 H2 3798 1.008000 0.423800 4.7949E+00 6.9276E+00 -1.8566E+01 O6 3799 15.999400 -0.847600 4.0523E+00 -3.4480E-01 1.0020E+01 H1 3800 1.008000 0.423800 3.0670E+00 -3.2803E-01 1.0190E+01 H2 3801 1.008000 0.423800 4.5417E+00 -2.9064E-01 1.0890E+01 O6 3802 15.999400 -0.847600 1.5982E+01 -6.2367E+00 -1.9256E+01 H1 3803 1.008000 0.423800 1.5783E+01 -5.2572E+00 -1.9225E+01 H2 3804 1.008000 0.423800 1.6764E+01 -6.4369E+00 -1.8665E+01 O6 3805 15.999400 -0.847600 4.9873E+00 5.3754E+00 3.1481E-01 H1 3806 1.008000 0.423800 4.5665E+00 6.0534E+00 -2.8791E-01 H2 3807 1.008000 0.423800 5.8876E+00 5.1258E+00 -4.1684E-02 O6 3808 15.999400 -0.847600 -1.4110E+01 -1.1873E+01 -1.6533E+01 H1 3809 1.008000 0.423800 -1.3268E+01 -1.2330E+01 -1.6246E+01 H2 3810 1.008000 0.423800 -1.4883E+01 -1.2244E+01 -1.6019E+01 O6 3811 15.999400 -0.847600 4.4257E+00 1.2805E+01 -1.1160E+01 H1 3812 1.008000 0.423800 5.4010E+00 1.2927E+01 -1.0975E+01 H2 3813 1.008000 0.423800 3.8932E+00 1.3337E+01 -1.0501E+01 O6 3814 15.999400 -0.847600 -1.4632E+01 -1.2776E+01 6.1924E+00 H1 3815 1.008000 0.423800 -1.4946E+01 -1.3569E+01 5.6704E+00 H2 3816 1.008000 0.423800 -1.3940E+01 -1.3065E+01 6.8539E+00 O6 3817 15.999400 -0.847600 -9.3209E+00 -1.8015E+01 7.0391E+00 H1 3818 1.008000 0.423800 -1.0267E+01 -1.7746E+01 7.2187E+00 H2 3819 1.008000 0.423800 -8.7214E+00 -1.7223E+01 7.1572E+00 O6 3820 15.999400 -0.847600 -1.3408E+01 5.7172E-01 5.9896E+00 H1 3821 1.008000 0.423800 -1.3178E+01 7.0168E-01 6.9542E+00 H2 3822 1.008000 0.423800 -1.2979E+01 1.2926E+00 5.4449E+00 O6 3823 15.999400 -0.847600 -1.8250E+01 -2.6375E+00 1.1316E+01 H1 3824 1.008000 0.423800 -1.7969E+01 -1.7952E+00 1.1776E+01 H2 3825 1.008000 0.423800 -1.8839E+01 -2.4126E+00 1.0540E+01 O6 3826 15.999400 -0.847600 3.4942E+00 1.4783E+01 3.3121E+00 H1 3827 1.008000 0.423800 3.0142E+00 1.3928E+01 3.5107E+00 H2 3828 1.008000 0.423800 3.5522E+00 1.5334E+01 4.1446E+00 O6 3829 15.999400 -0.847600 -6.7667E+00 3.3399E+00 8.9466E+00 H1 3830 1.008000 0.423800 -6.6706E+00 2.7671E+00 8.1325E+00 H2 3831 1.008000 0.423800 -7.6392E+00 3.1409E+00 9.3929E+00 O6 3832 15.999400 -0.847600 -1.2465E+01 9.1352E-01 8.6767E+00 H1 3833 1.008000 0.423800 -1.2985E+01 1.5268E+00 9.2718E+00 H2 3834 1.008000 0.423800 -1.2601E+01 -3.1998E-02 8.9725E+00 O6 3835 15.999400 -0.847600 2.8049E+00 2.4712E+00 -8.9937E+00 H1 3836 1.008000 0.423800 3.3630E+00 3.2317E+00 -8.6618E+00 H2 3837 1.008000 0.423800 2.2364E+00 2.7824E+00 -9.7553E+00 O6 3838 15.999400 -0.847600 -1.2106E+01 8.5269E+00 -1.1018E+01 H1 3839 1.008000 0.423800 -1.1371E+01 8.0805E+00 -1.1528E+01 H2 3840 1.008000 0.423800 -1.2163E+01 9.4881E+00 -1.1288E+01 O6 3841 15.999400 -0.847600 -8.2331E+00 8.7759E-01 1.1612E+01 H1 3842 1.008000 0.423800 -8.2994E+00 1.8263E+00 1.1303E+01 H2 3843 1.008000 0.423800 -7.6342E+00 3.6705E-01 1.0995E+01 O6 3844 15.999400 -0.847600 4.6150E+00 1.3717E+01 -1.4657E+01 H1 3845 1.008000 0.423800 4.3980E+00 1.3539E+01 -1.3698E+01 H2 3846 1.008000 0.423800 3.9920E+00 1.3197E+01 -1.5242E+01 O6 3847 15.999400 -0.847600 1.6397E+01 -1.7747E+01 1.5416E+00 H1 3848 1.008000 0.423800 1.7104E+01 -1.8453E+01 1.4918E+00 H2 3849 1.008000 0.423800 1.5495E+01 -1.8177E+01 1.5382E+00 O6 3850 15.999400 -0.847600 1.2441E+01 1.6478E+01 -1.3181E+01 H1 3851 1.008000 0.423800 1.3325E+01 1.6579E+01 -1.3637E+01 H2 3852 1.008000 0.423800 1.2254E+01 1.7293E+01 -1.2632E+01 O6 3853 15.999400 -0.847600 -1.1415E+01 -1.3811E+01 1.0576E+01 H1 3854 1.008000 0.423800 -1.0891E+01 -1.4591E+01 1.0232E+01 H2 3855 1.008000 0.423800 -1.0973E+01 -1.2961E+01 1.0290E+01 O6 3856 15.999400 -0.847600 -1.1616E+01 8.7588E-01 4.3108E-01 H1 3857 1.008000 0.423800 -1.1116E+01 3.9854E-01 1.1537E+00 H2 3858 1.008000 0.423800 -1.1355E+01 1.8412E+00 4.2688E-01 O6 3859 15.999400 -0.847600 4.2852E+00 2.6258E+00 1.4609E+01 H1 3860 1.008000 0.423800 4.3046E+00 3.1989E+00 1.3790E+01 H2 3861 1.008000 0.423800 3.6027E+00 1.9040E+00 1.4495E+01 O6 3862 15.999400 -0.847600 1.5973E+01 -1.8461E+01 1.8156E+01 H1 3863 1.008000 0.423800 1.5024E+01 -1.8604E+01 1.7877E+01 H2 3864 1.008000 0.423800 1.6302E+01 -1.9268E+01 1.8645E+01 O6 3865 15.999400 -0.847600 -1.0417E+01 -9.0045E+00 -1.2820E+01 H1 3866 1.008000 0.423800 -9.6449E+00 -9.5082E+00 -1.3208E+01 H2 3867 1.008000 0.423800 -1.0340E+01 -8.0377E+00 -1.3064E+01 O6 3868 15.999400 -0.847600 8.4289E+00 -1.2773E+01 -4.7485E+00 H1 3869 1.008000 0.423800 9.0679E+00 -1.2003E+01 -4.7459E+00 H2 3870 1.008000 0.423800 8.0547E+00 -1.2898E+01 -3.8297E+00 O6 3871 15.999400 -0.847600 -1.8475E+01 1.7136E+01 -3.3377E+00 H1 3872 1.008000 0.423800 -1.7950E+01 1.7943E+01 -3.6091E+00 H2 3873 1.008000 0.423800 -1.9378E+01 1.7419E+01 -3.0145E+00 O6 3874 15.999400 -0.847600 1.5043E+01 -7.8550E+00 -6.5931E+00 H1 3875 1.008000 0.423800 1.4549E+01 -7.2538E+00 -5.9651E+00 H2 3876 1.008000 0.423800 1.5992E+01 -7.5474E+00 -6.6722E+00 O6 3877 15.999400 -0.847600 2.2605E+00 7.0178E+00 4.6268E+00 H1 3878 1.008000 0.423800 2.7868E+00 7.7929E+00 4.2772E+00 H2 3879 1.008000 0.423800 1.9498E+00 7.2179E+00 5.5560E+00 O6 3880 15.999400 -0.847600 -1.2142E+01 4.7205E+00 -5.5109E+00 H1 3881 1.008000 0.423800 -1.1179E+01 4.6780E+00 -5.2440E+00 H2 3882 1.008000 0.423800 -1.2297E+01 5.5340E+00 -6.0715E+00 O6 3883 15.999400 -0.847600 -1.6959E+00 9.3291E+00 5.3075E+00 H1 3884 1.008000 0.423800 -1.1723E+00 8.9615E+00 4.5389E+00 H2 3885 1.008000 0.423800 -1.9929E+00 1.0260E+01 5.0938E+00 O6 3886 15.999400 -0.847600 6.6108E+00 1.8169E+01 -1.4655E+01 H1 3887 1.008000 0.423800 6.2762E+00 1.7279E+01 -1.4966E+01 H2 3888 1.008000 0.423800 7.6060E+00 1.8201E+01 -1.4747E+01 O6 3889 15.999400 -0.847600 -1.1054E+01 1.1535E+01 -6.8624E+00 H1 3890 1.008000 0.423800 -1.0717E+01 1.1932E+01 -6.0085E+00 H2 3891 1.008000 0.423800 -1.0611E+01 1.1986E+01 -7.6371E+00 O6 3892 15.999400 -0.847600 1.0287E+01 -7.7404E+00 8.9107E+00 H1 3893 1.008000 0.423800 9.4943E+00 -7.3057E+00 8.4838E+00 H2 3894 1.008000 0.423800 1.0193E+01 -8.7344E+00 8.8548E+00 O6 3895 15.999400 -0.847600 -1.5985E+01 1.2969E+01 -7.1507E+00 H1 3896 1.008000 0.423800 -1.5989E+01 1.3212E+01 -6.1807E+00 H2 3897 1.008000 0.423800 -1.5116E+01 1.2531E+01 -7.3810E+00 O6 3898 15.999400 -0.847600 1.0605E+01 1.8342E+00 -1.3832E+01 H1 3899 1.008000 0.423800 9.9612E+00 2.5399E+00 -1.4128E+01 H2 3900 1.008000 0.423800 1.1017E+01 2.1037E+00 -1.2962E+01 O6 3901 15.999400 -0.847600 1.6221E+00 -3.0543E+00 -1.5842E+00 H1 3902 1.008000 0.423800 6.7805E-01 -2.8192E+00 -1.8154E+00 H2 3903 1.008000 0.423800 2.0591E+00 -2.2752E+00 -1.1348E+00 O6 3904 15.999400 -0.847600 -1.3271E+01 7.0030E+00 -1.5595E+01 H1 3905 1.008000 0.423800 -1.3210E+01 7.9246E+00 -1.5979E+01 H2 3906 1.008000 0.423800 -1.4170E+01 6.8752E+00 -1.5176E+01 O6 3907 15.999400 -0.847600 1.8767E+01 1.0290E+01 5.7458E+00 H1 3908 1.008000 0.423800 1.9390E+01 1.0278E+01 4.9636E+00 H2 3909 1.008000 0.423800 1.7838E+01 1.0482E+01 5.4294E+00 O6 3910 15.999400 -0.847600 2.6576E+00 -8.1759E+00 -1.7002E+00 H1 3911 1.008000 0.423800 3.2805E+00 -7.7573E+00 -2.3611E+00 H2 3912 1.008000 0.423800 2.2305E+00 -7.4614E+00 -1.1460E+00 O6 3913 15.999400 -0.847600 -4.8292E+00 1.7102E+01 -7.5136E+00 H1 3914 1.008000 0.423800 -5.1730E+00 1.7623E+01 -8.2946E+00 H2 3915 1.008000 0.423800 -5.4989E+00 1.6405E+01 -7.2575E+00 O6 3916 15.999400 -0.847600 -1.4448E+00 5.1714E+00 1.2210E+01 H1 3917 1.008000 0.423800 -1.5222E+00 5.7680E+00 1.1411E+01 H2 3918 1.008000 0.423800 -1.4923E+00 5.7222E+00 1.3043E+01 O6 3919 15.999400 -0.847600 -1.5651E+01 -1.0516E+01 -1.0778E+01 H1 3920 1.008000 0.423800 -1.6312E+01 -1.1060E+01 -1.0261E+01 H2 3921 1.008000 0.423800 -1.4977E+01 -1.1123E+01 -1.1200E+01 O6 3922 15.999400 -0.847600 -1.7173E+01 -8.8046E+00 -2.0286E+00 H1 3923 1.008000 0.423800 -1.7300E+01 -7.8776E+00 -1.6754E+00 H2 3924 1.008000 0.423800 -1.7889E+01 -9.0074E+00 -2.6965E+00 O6 3925 15.999400 -0.847600 -8.7967E+00 -6.7675E+00 4.3391E+00 H1 3926 1.008000 0.423800 -8.9820E+00 -7.6334E+00 4.8037E+00 H2 3927 1.008000 0.423800 -9.4803E+00 -6.6198E+00 3.6244E+00 O6 3928 15.999400 -0.847600 -1.5702E+01 4.1261E+00 -3.5356E+00 H1 3929 1.008000 0.423800 -1.6124E+01 4.4223E+00 -2.6788E+00 H2 3930 1.008000 0.423800 -1.4873E+01 3.6040E+00 -3.3357E+00 O6 3931 15.999400 -0.847600 7.3185E+00 5.1987E+00 -1.1712E+00 H1 3932 1.008000 0.423800 7.4065E+00 4.2779E+00 -7.9126E-01 H2 3933 1.008000 0.423800 7.4622E+00 5.1662E+00 -2.1603E+00 O6 3934 15.999400 -0.847600 1.9096E+01 3.6427E-01 -4.5538E+00 H1 3935 1.008000 0.423800 1.8295E+01 1.0069E-01 -4.0160E+00 H2 3936 1.008000 0.423800 1.9176E+01 1.3610E+00 -4.5662E+00 O6 3937 15.999400 -0.847600 1.3349E+00 -2.7090E-02 1.0490E+01 H1 3938 1.008000 0.423800 8.6718E-01 -9.0543E-01 1.0589E+01 H2 3939 1.008000 0.423800 1.1870E+00 3.2672E-01 9.5666E+00 O6 3940 15.999400 -0.847600 -1.5945E+01 -6.2786E+00 -1.4364E+01 H1 3941 1.008000 0.423800 -1.5145E+01 -6.2752E+00 -1.3765E+01 H2 3942 1.008000 0.423800 -1.6075E+01 -5.3663E+00 -1.4752E+01 O6 3943 15.999400 -0.847600 -1.6812E+01 -9.4535E+00 5.4134E+00 H1 3944 1.008000 0.423800 -1.5858E+01 -9.4196E+00 5.7102E+00 H2 3945 1.008000 0.423800 -1.6865E+01 -9.2448E+00 4.4368E+00 O6 3946 15.999400 -0.847600 -1.4033E+01 1.2609E+01 7.6739E+00 H1 3947 1.008000 0.423800 -1.3083E+01 1.2332E+01 7.5292E+00 H2 3948 1.008000 0.423800 -1.4511E+01 1.2631E+01 6.7959E+00 O6 3949 15.999400 -0.847600 6.2532E+00 1.5938E+01 9.1529E+00 H1 3950 1.008000 0.423800 5.9046E+00 1.5168E+01 8.6178E+00 H2 3951 1.008000 0.423800 7.1399E+00 1.6223E+01 8.7887E+00 O6 3952 15.999400 -0.847600 1.5083E+01 -6.2275E+00 4.1605E-01 H1 3953 1.008000 0.423800 1.5205E+01 -6.1594E+00 -5.7415E-01 H2 3954 1.008000 0.423800 1.5692E+01 -6.9335E+00 7.7899E-01 O6 3955 15.999400 -0.847600 -1.4281E+01 -1.3163E+01 -3.4996E+00 H1 3956 1.008000 0.423800 -1.3490E+01 -1.2572E+01 -3.6586E+00 H2 3957 1.008000 0.423800 -1.4892E+01 -1.2730E+01 -2.8365E+00 O6 3958 15.999400 -0.847600 -1.6191E+01 1.1340E+01 1.3503E+01 H1 3959 1.008000 0.423800 -1.6879E+01 1.2061E+01 1.3424E+01 H2 3960 1.008000 0.423800 -1.6324E+01 1.0845E+01 1.4362E+01 O6 3961 15.999400 -0.847600 1.2935E+01 -1.5430E+01 -1.4949E+01 H1 3962 1.008000 0.423800 1.2981E+01 -1.4461E+01 -1.5190E+01 H2 3963 1.008000 0.423800 1.2943E+01 -1.5982E+01 -1.5783E+01 O6 3964 15.999400 -0.847600 3.3116E-01 1.0590E+01 -1.3405E+01 H1 3965 1.008000 0.423800 5.3957E-01 9.6894E+00 -1.3788E+01 H2 3966 1.008000 0.423800 7.5222E-01 1.0674E+01 -1.2502E+01 O6 3967 15.999400 -0.847600 -1.7004E+01 -1.7288E+01 9.4718E+00 H1 3968 1.008000 0.423800 -1.7142E+01 -1.8253E+01 9.6978E+00 H2 3969 1.008000 0.423800 -1.7625E+01 -1.6726E+01 1.0018E+01 O6 3970 15.999400 -0.847600 -3.4817E+00 -5.7808E-01 -7.8104E+00 H1 3971 1.008000 0.423800 -3.3990E+00 -2.3894E-01 -6.8732E+00 H2 3972 1.008000 0.423800 -3.3593E+00 1.7988E-01 -8.4511E+00 O6 3973 15.999400 -0.847600 7.4647E+00 1.9505E+01 -1.7073E+01 H1 3974 1.008000 0.423800 6.5458E+00 1.9401E+01 -1.6693E+01 H2 3975 1.008000 0.423800 7.6916E+00 1.8700E+01 -1.7621E+01 O6 3976 15.999400 -0.847600 -2.4836E+00 1.4007E+01 -1.2528E+01 H1 3977 1.008000 0.423800 -3.3287E+00 1.4347E+01 -1.2941E+01 H2 3978 1.008000 0.423800 -2.2833E+00 1.3094E+01 -1.2882E+01 O6 3979 15.999400 -0.847600 6.9009E+00 -1.4176E+01 4.0179E+00 H1 3980 1.008000 0.423800 7.5998E+00 -1.4889E+01 4.0651E+00 H2 3981 1.008000 0.423800 6.3453E+00 -1.4198E+01 4.8490E+00 O6 3982 15.999400 -0.847600 3.8027E+00 -2.6553E+00 -3.4377E+00 H1 3983 1.008000 0.423800 3.1643E+00 -2.9036E+00 -2.7092E+00 H2 3984 1.008000 0.423800 4.3116E+00 -3.4666E+00 -3.7258E+00 O6 3985 15.999400 -0.847600 -1.9457E+01 -1.3458E+01 -1.1403E+01 H1 3986 1.008000 0.423800 1.8968E+01 -1.2731E+01 -1.1541E+01 H2 3987 1.008000 0.423800 1.9184E+01 -1.4347E+01 -1.1446E+01 O6 3988 15.999400 -0.847600 -3.3996E+00 1.6827E+00 2.6846E+00 H1 3989 1.008000 0.423800 -2.7884E+00 2.2641E+00 2.1475E+00 H2 3990 1.008000 0.423800 -4.3456E+00 1.9753E+00 2.5454E+00 O6 3991 15.999400 -0.847600 -2.4923E+00 -1.6493E+01 -7.3916E+00 H1 3992 1.008000 0.423800 -2.2262E+00 -1.6587E+01 -6.4323E+00 H2 3993 1.008000 0.423800 -1.6966E+00 -1.6221E+01 -7.9330E+00 O6 3994 15.999400 -0.847600 9.7114E+00 -3.8407E+00 -9.0602E+00 H1 3995 1.008000 0.423800 1.0503E+01 -3.4540E+00 -8.5865E+00 H2 3996 1.008000 0.423800 9.3980E+00 -3.2012E+00 -9.7622E+00 O6 3997 15.999400 -0.847600 9.8740E+00 1.6671E+00 3.8289E+00 H1 3998 1.008000 0.423800 1.0500E+01 2.4337E+00 3.9710E+00 H2 3999 1.008000 0.423800 9.7234E+00 1.5370E+00 2.8490E+00 O6 4000 15.999400 -0.847600 1.2399E+01 6.0411E+00 1.1856E+01 H1 4001 1.008000 0.423800 1.2647E+01 6.0488E+00 1.0888E+01 H2 4002 1.008000 0.423800 1.2774E+01 5.2220E+00 1.2290E+01 O6 4003 15.999400 -0.847600 9.5222E+00 -3.5889E+00 1.4570E+01 H1 4004 1.008000 0.423800 9.1096E+00 -2.8004E+00 1.5026E+01 H2 4005 1.008000 0.423800 1.0389E+01 -3.8151E+00 1.5014E+01 O6 4006 15.999400 -0.847600 -1.4154E+01 -1.7942E+01 8.5703E+00 H1 4007 1.008000 0.423800 -1.5039E+01 -1.7702E+01 8.1710E+00 H2 4008 1.008000 0.423800 -1.4219E+01 -1.8838E+01 9.0095E+00 O6 4009 15.999400 -0.847600 -4.1234E+00 -6.3409E+00 1.1341E+01 H1 4010 1.008000 0.423800 -4.3843E+00 -7.2185E+00 1.0938E+01 H2 4011 1.008000 0.423800 -4.7025E+00 -6.1525E+00 1.2134E+01 O6 4012 15.999400 -0.847600 1.5731E+01 5.2551E-02 -1.4433E+01 H1 4013 1.008000 0.423800 1.5496E+01 6.4818E-01 -1.3665E+01 H2 4014 1.008000 0.423800 1.4905E+01 -3.9446E-01 -1.4774E+01 O6 4015 15.999400 -0.847600 -8.0007E+00 1.7938E+01 1.0212E+01 H1 4016 1.008000 0.423800 -8.3983E+00 1.8005E+01 9.2969E+00 H2 4017 1.008000 0.423800 -8.7223E+00 1.7740E+01 1.0875E+01 O6 4018 15.999400 -0.847600 1.8303E+01 5.3002E+00 -8.0831E+00 H1 4019 1.008000 0.423800 1.8536E+01 4.3354E+00 -8.2065E+00 H2 4020 1.008000 0.423800 1.8706E+01 5.6337E+00 -7.2309E+00 O6 4021 15.999400 -0.847600 -1.7035E+01 -1.3573E+01 -1.2861E+01 H1 4022 1.008000 0.423800 -1.7924E+01 -1.3599E+01 -1.2405E+01 H2 4023 1.008000 0.423800 -1.7156E+01 -1.3291E+01 -1.3813E+01 O6 4024 15.999400 -0.847600 1.7169E+01 1.8269E+01 -2.9565E-01 H1 4025 1.008000 0.423800 1.6903E+01 1.8528E+01 6.3283E-01 H2 4026 1.008000 0.423800 1.7644E+01 1.7390E+01 -2.7301E-01 O6 4027 15.999400 -0.847600 1.7396E+01 -1.2800E+01 1.8747E+01 H1 4028 1.008000 0.423800 1.6892E+01 -1.1967E+01 1.8976E+01 H2 4029 1.008000 0.423800 1.7238E+01 -1.3490E+01 1.9453E+01 O6 4030 15.999400 -0.847600 1.5860E+01 -1.3149E+01 -1.1808E+01 H1 4031 1.008000 0.423800 1.5031E+01 -1.2633E+01 -1.2025E+01 H2 4032 1.008000 0.423800 1.5637E+01 -1.3884E+01 -1.1168E+01 O6 4033 15.999400 -0.847600 -1.8108E+01 -1.9459E+00 -1.4074E+01 H1 4034 1.008000 0.423800 -1.8945E+01 -1.4044E+00 -1.4156E+01 H2 4035 1.008000 0.423800 -1.8346E+01 -2.9087E+00 -1.3945E+01 O6 4036 15.999400 -0.847600 1.6639E+01 -4.8081E+00 4.0451E+00 H1 4037 1.008000 0.423800 1.5946E+01 -4.2359E+00 3.6073E+00 H2 4038 1.008000 0.423800 1.6489E+01 -4.8159E+00 5.0337E+00 O6 4039 15.999400 -0.847600 -1.2460E+01 1.9471E+01 2.8079E+00 H1 4040 1.008000 0.423800 -1.2605E+01 1.9526E+01 3.7958E+00 H2 4041 1.008000 0.423800 -1.3062E+01 -1.8975E+01 2.3459E+00 O6 4042 15.999400 -0.847600 -1.6263E+00 -7.3100E+00 -3.8841E+00 H1 4043 1.008000 0.423800 -1.1035E+00 -6.6070E+00 -3.4019E+00 H2 4044 1.008000 0.423800 -1.8214E+00 -8.0668E+00 -3.2603E+00 O6 4045 15.999400 -0.847600 -1.7508E+01 7.7748E+00 -8.1702E+00 H1 4046 1.008000 0.423800 -1.6907E+01 7.3139E+00 -7.5171E+00 H2 4047 1.008000 0.423800 -1.7202E+01 8.7187E+00 -8.2954E+00 O6 4048 15.999400 -0.847600 1.2855E+01 1.8040E+01 1.2832E+01 H1 4049 1.008000 0.423800 1.2229E+01 1.7527E+01 1.2245E+01 H2 4050 1.008000 0.423800 1.3704E+01 1.8223E+01 1.2335E+01 O6 4051 15.999400 -0.847600 -1.4771E+01 -6.4939E+00 1.8267E+01 H1 4052 1.008000 0.423800 -1.5018E+01 -6.6481E+00 1.9223E+01 H2 4053 1.008000 0.423800 -1.5385E+01 -7.0159E+00 1.7676E+01 O6 4054 15.999400 -0.847600 1.2927E+01 1.6644E+01 9.6883E+00 H1 4055 1.008000 0.423800 1.2114E+01 1.6488E+01 1.0249E+01 H2 4056 1.008000 0.423800 1.3720E+01 1.6782E+01 1.0282E+01 O6 4057 15.999400 -0.847600 -1.0867E+01 7.2226E+00 -1.8244E+01 H1 4058 1.008000 0.423800 -1.0431E+01 7.8695E+00 -1.7618E+01 H2 4059 1.008000 0.423800 -1.1688E+01 7.6388E+00 -1.8635E+01 O6 4060 15.999400 -0.847600 -1.8644E+01 1.8612E+01 1.5422E+01 H1 4061 1.008000 0.423800 -1.7754E+01 1.8182E+01 1.5576E+01 H2 4062 1.008000 0.423800 -1.8605E+01 1.9170E+01 1.4593E+01 O6 4063 15.999400 -0.847600 -5.5062E+00 1.4389E+01 3.0746E+00 H1 4064 1.008000 0.423800 -5.0444E+00 1.3618E+01 3.5133E+00 H2 4065 1.008000 0.423800 -4.9250E+00 1.5201E+01 3.1301E+00 O6 4066 15.999400 -0.847600 -1.8632E+01 1.1029E+01 7.7411E+00 H1 4067 1.008000 0.423800 -1.9287E+01 1.0760E+01 7.0353E+00 H2 4068 1.008000 0.423800 -1.8488E+01 1.0265E+01 8.3707E+00 O6 4069 15.999400 -0.847600 -5.6920E+00 1.8229E+01 -1.8144E+01 H1 4070 1.008000 0.423800 -5.2698E+00 1.8680E+01 -1.8930E+01 H2 4071 1.008000 0.423800 -5.1389E+00 1.8395E+01 -1.7327E+01 O6 4072 15.999400 -0.847600 6.2255E+00 -1.9360E+01 -1.2595E+01 H1 4073 1.008000 0.423800 6.1121E+00 1.9127E+01 -1.3378E+01 H2 4074 1.008000 0.423800 6.6902E+00 1.9250E+01 -1.1856E+01 O6 4075 15.999400 -0.847600 -9.3869E+00 -1.6702E-01 -1.7501E+01 H1 4076 1.008000 0.423800 -9.6665E+00 7.8189E-01 -1.7647E+01 H2 4077 1.008000 0.423800 -8.5447E+00 -3.4832E-01 -1.8008E+01 O6 4078 15.999400 -0.847600 5.3736E-02 -3.5622E+00 1.3355E+01 H1 4079 1.008000 0.423800 2.6896E-01 -4.3572E+00 1.3922E+01 H2 4080 1.008000 0.423800 -9.2225E-01 -3.3564E+00 1.3426E+01 O6 4081 15.999400 -0.847600 -4.4909E+00 1.4383E+01 1.9178E+01 H1 4082 1.008000 0.423800 -5.1963E+00 1.4182E+01 1.8498E+01 H2 4083 1.008000 0.423800 -3.6697E+00 1.3850E+01 1.8974E+01 O6 4084 15.999400 -0.847600 1.8907E+01 3.7052E+00 3.1397E+00 H1 4085 1.008000 0.423800 -1.9544E+01 2.9444E+00 3.2003E+00 H2 4086 1.008000 0.423800 1.9195E+01 4.4375E+00 3.7566E+00 O6 4087 15.999400 -0.847600 -1.0600E+01 1.5113E+01 9.6395E+00 H1 4088 1.008000 0.423800 -1.0061E+01 1.4827E+01 8.8475E+00 H2 4089 1.008000 0.423800 -1.0247E+01 1.4667E+01 1.0462E+01 O6 4090 15.999400 -0.847600 -1.7376E+01 4.5399E-01 -6.6936E+00 H1 4091 1.008000 0.423800 -1.7944E+01 3.9875E-01 -5.8721E+00 H2 4092 1.008000 0.423800 -1.6412E+01 4.9312E-01 -6.4305E+00 O6 4093 15.999400 -0.847600 -8.9110E+00 -1.3214E+01 1.3842E+01 H1 4094 1.008000 0.423800 -9.1317E+00 -1.3879E+01 1.3129E+01 H2 4095 1.008000 0.423800 -9.0347E+00 -1.3636E+01 1.4741E+01 O6 4096 15.999400 -0.847600 -1.1791E-01 3.3010E-01 1.3648E+01 H1 4097 1.008000 0.423800 -7.0925E-01 -4.6930E-01 1.3542E+01 H2 4098 1.008000 0.423800 -5.9987E-01 1.1460E+00 1.3329E+01 O6 4099 15.999400 -0.847600 -1.5232E+01 4.9579E+00 5.6272E+00 H1 4100 1.008000 0.423800 -1.4875E+01 4.6807E+00 4.7354E+00 H2 4101 1.008000 0.423800 -1.6077E+01 4.4572E+00 5.8179E+00 O6 4102 15.999400 -0.847600 5.5712E-01 -1.6343E+01 9.3437E+00 H1 4103 1.008000 0.423800 1.4969E+00 -1.6678E+01 9.2773E+00 H2 4104 1.008000 0.423800 3.0635E-01 -1.6242E+01 1.0307E+01 O6 4105 15.999400 -0.847600 1.0563E+01 -1.0591E+00 3.3249E+00 H1 4106 1.008000 0.423800 1.0232E+01 -4.2808E-01 4.0265E+00 H2 4107 1.008000 0.423800 1.0343E+01 -1.9978E+00 3.5905E+00 O6 4108 15.999400 -0.847600 -1.5434E+01 -7.6196E-01 1.3607E+01 H1 4109 1.008000 0.423800 -1.5413E+01 -1.4999E+00 1.4282E+01 H2 4110 1.008000 0.423800 -1.4905E+01 1.5285E-02 1.3947E+01 O6 4111 15.999400 -0.847600 1.2053E+01 -8.3568E+00 1.3931E+01 H1 4112 1.008000 0.423800 1.1377E+01 -7.9315E+00 1.3329E+01 H2 4113 1.008000 0.423800 1.1792E+01 -8.2054E+00 1.4884E+01 O6 4114 15.999400 -0.847600 -7.6948E+00 -6.6945E+00 1.5257E+01 H1 4115 1.008000 0.423800 -8.2820E+00 -7.4288E+00 1.5598E+01 H2 4116 1.008000 0.423800 -7.6613E+00 -5.9554E+00 1.5930E+01 O6 4117 15.999400 -0.847600 -8.5056E+00 1.0796E+01 7.7497E+00 H1 4118 1.008000 0.423800 -8.6778E+00 1.0106E+01 8.4527E+00 H2 4119 1.008000 0.423800 -7.6548E+00 1.1279E+01 7.9577E+00 O6 4120 15.999400 -0.847600 5.7856E+00 1.0216E+01 -9.0960E+00 H1 4121 1.008000 0.423800 5.4674E+00 9.4762E+00 -9.6887E+00 H2 4122 1.008000 0.423800 6.7119E+00 1.0482E+01 -9.3630E+00 O6 4123 15.999400 -0.847600 1.2743E+00 2.6607E+00 1.1513E+01 H1 4124 1.008000 0.423800 2.0041E+00 2.9452E+00 1.0892E+01 H2 4125 1.008000 0.423800 1.0960E+00 1.6841E+00 1.1393E+01 O6 4126 15.999400 -0.847600 -1.8627E+01 8.6463E+00 9.5594E+00 H1 4127 1.008000 0.423800 -1.9073E+01 7.8153E+00 9.8916E+00 H2 4128 1.008000 0.423800 -1.8411E+01 9.2412E+00 1.0334E+01 O6 4129 15.999400 -0.847600 -1.8830E+00 1.8877E+01 1.2276E+01 H1 4130 1.008000 0.423800 -2.1347E+00 1.9390E+01 1.3097E+01 H2 4131 1.008000 0.423800 -1.0167E+00 1.9225E+01 1.1918E+01 O6 4132 15.999400 -0.847600 1.7256E+01 6.8424E+00 4.0209E+00 H1 4133 1.008000 0.423800 1.6648E+01 7.6330E+00 4.0923E+00 H2 4134 1.008000 0.423800 1.6711E+01 6.0083E+00 3.9402E+00 O6 4135 15.999400 -0.847600 6.4825E+00 -1.5569E+01 -1.9770E+00 H1 4136 1.008000 0.423800 6.2704E+00 -1.4783E+01 -1.3958E+00 H2 4137 1.008000 0.423800 7.4591E+00 -1.5570E+01 -2.1922E+00 O6 4138 15.999400 -0.847600 1.1862E+01 -1.9303E+01 1.4686E+01 H1 4139 1.008000 0.423800 1.2278E+01 1.9250E+01 1.3958E+01 H2 4140 1.008000 0.423800 1.0881E+01 -1.9489E+01 1.4723E+01 O6 4141 15.999400 -0.847600 1.6403E+00 1.1827E+01 1.9362E+01 H1 4142 1.008000 0.423800 1.3406E+00 1.2780E+01 1.9342E+01 H2 4143 1.008000 0.423800 1.1290E+00 1.1302E+01 1.8682E+01 O6 4144 15.999400 -0.847600 -1.3771E+01 -1.2518E+01 1.1981E+01 H1 4145 1.008000 0.423800 -1.3398E+01 -1.1681E+01 1.1581E+01 H2 4146 1.008000 0.423800 -1.3164E+01 -1.3285E+01 1.1776E+01 O6 4147 15.999400 -0.847600 6.0061E-01 1.2227E+01 1.6402E+01 H1 4148 1.008000 0.423800 3.2823E-01 1.1371E+01 1.5963E+01 H2 4149 1.008000 0.423800 1.5927E+00 1.2237E+01 1.6527E+01 O6 4150 15.999400 -0.847600 1.6519E+01 -1.1375E+01 8.3042E+00 H1 4151 1.008000 0.423800 1.6921E+01 -1.0751E+01 7.6341E+00 H2 4152 1.008000 0.423800 1.7246E+01 -1.1793E+01 8.8485E+00 O6 4153 15.999400 -0.847600 6.1120E+00 1.9092E+00 2.3090E+00 H1 4154 1.008000 0.423800 5.3327E+00 1.4262E+00 1.9095E+00 H2 4155 1.008000 0.423800 6.1882E+00 1.6747E+00 3.2781E+00 O6 4156 15.999400 -0.847600 -1.8891E+01 4.5865E+00 9.2183E+00 H1 4157 1.008000 0.423800 -1.9105E+01 3.9947E+00 9.9955E+00 H2 4158 1.008000 0.423800 -1.8746E+01 5.5217E+00 9.5414E+00 O6 4159 15.999400 -0.847600 8.5633E+00 1.2327E+01 1.7844E+01 H1 4160 1.008000 0.423800 8.3104E+00 1.2950E+01 1.8585E+01 H2 4161 1.008000 0.423800 8.2574E+00 1.2706E+01 1.6971E+01 O6 4162 15.999400 -0.847600 1.7019E+01 -2.2561E+00 -1.2888E+01 H1 4163 1.008000 0.423800 1.6900E+01 -1.4389E+00 -1.3452E+01 H2 4164 1.008000 0.423800 1.7690E+01 -2.0700E+00 -1.2170E+01 O6 4165 15.999400 -0.847600 2.6970E+00 6.9043E+00 -8.2522E+00 H1 4166 1.008000 0.423800 3.5153E+00 6.5797E+00 -8.7266E+00 H2 4167 1.008000 0.423800 2.8373E+00 6.8405E+00 -7.2642E+00 O6 4168 15.999400 -0.847600 1.0029E+01 -8.7377E-01 1.6825E+01 H1 4169 1.008000 0.423800 1.0968E+01 -8.6878E-01 1.6482E+01 H2 4170 1.008000 0.423800 1.0038E+01 -9.1240E-01 1.7824E+01 O6 4171 15.999400 -0.847600 1.5429E+01 -1.5531E+01 -1.0487E+01 H1 4172 1.008000 0.423800 1.5943E+01 -1.5625E+01 -9.6344E+00 H2 4173 1.008000 0.423800 1.4472E+01 -1.5774E+01 -1.0329E+01 O6 4174 15.999400 -0.847600 8.8252E+00 7.6492E+00 1.8012E+01 H1 4175 1.008000 0.423800 9.1938E+00 7.5091E+00 1.7093E+01 H2 4176 1.008000 0.423800 9.5417E+00 7.4774E+00 1.8689E+01 O6 4177 15.999400 -0.847600 2.9289E+00 -1.5512E+01 -5.6902E+00 H1 4178 1.008000 0.423800 3.5557E+00 -1.5079E+01 -5.0424E+00 H2 4179 1.008000 0.423800 2.0252E+00 -1.5091E+01 -5.6116E+00 O6 4180 15.999400 -0.847600 -4.3493E+00 -7.6350E+00 1.5577E+01 H1 4181 1.008000 0.423800 -5.0926E+00 -8.3031E+00 1.5610E+01 H2 4182 1.008000 0.423800 -3.4814E+00 -8.1092E+00 1.5429E+01 O6 4183 15.999400 -0.847600 -1.7191E+01 -1.4195E+01 -1.7817E+01 H1 4184 1.008000 0.423800 -1.6924E+01 -1.4713E+01 -1.8629E+01 H2 4185 1.008000 0.423800 -1.7634E+01 -1.3343E+01 -1.8096E+01 O6 4186 15.999400 -0.847600 1.0844E+01 -1.3303E+01 -1.9104E+01 H1 4187 1.008000 0.423800 1.1591E+01 -1.3662E+01 -1.8545E+01 H2 4188 1.008000 0.423800 1.0566E+01 -1.3992E+01 1.9326E+01 O6 4189 15.999400 -0.847600 1.9363E+01 -1.5604E+01 -5.9239E+00 H1 4190 1.008000 0.423800 -1.9113E+01 -1.5831E+01 -6.6733E+00 H2 4191 1.008000 0.423800 1.9158E+01 -1.6430E+01 -5.3985E+00 O6 4192 15.999400 -0.847600 8.5414E-01 1.5525E+01 -7.6918E+00 H1 4193 1.008000 0.423800 1.6276E-01 1.6225E+01 -7.5113E+00 H2 4194 1.008000 0.423800 1.0725E+00 1.5045E+01 -6.8420E+00 O6 4195 15.999400 -0.847600 1.5634E+01 -1.4107E+01 8.3988E+00 H1 4196 1.008000 0.423800 1.5945E+01 -1.3160E+01 8.3189E+00 H2 4197 1.008000 0.423800 1.6239E+01 -1.4605E+01 9.0204E+00 O6 4198 15.999400 -0.847600 -8.6131E+00 1.3293E+01 -7.8879E-01 H1 4199 1.008000 0.423800 -9.4683E+00 1.3790E+01 -9.3472E-01 H2 4200 1.008000 0.423800 -7.8511E+00 1.3824E+01 -1.1590E+00 O6 4201 15.999400 -0.847600 -3.5442E+00 -3.3949E+00 2.7872E+00 H1 4202 1.008000 0.423800 -3.3371E+00 -3.7875E+00 1.8911E+00 H2 4203 1.008000 0.423800 -3.3754E+00 -2.4095E+00 2.7664E+00 O6 4204 15.999400 -0.847600 1.4896E+00 -1.1818E+01 1.2680E+01 H1 4205 1.008000 0.423800 1.7951E+00 -1.0869E+01 1.2764E+01 H2 4206 1.008000 0.423800 1.6094E+00 -1.2124E+01 1.1735E+01 O6 4207 15.999400 -0.847600 4.7043E-01 1.9521E+01 1.1221E+01 H1 4208 1.008000 0.423800 7.4907E-01 1.8564E+01 1.1311E+01 H2 4209 1.008000 0.423800 1.1921E+00 -1.8984E+01 1.1578E+01 O6 4210 15.999400 -0.847600 1.4562E+01 8.9100E+00 -9.5581E+00 H1 4211 1.008000 0.423800 1.5413E+01 8.7377E+00 -1.0055E+01 H2 4212 1.008000 0.423800 1.4640E+01 9.7697E+00 -9.0533E+00 O6 4213 15.999400 -0.847600 1.7628E+01 -1.1455E+00 -1.9455E+01 H1 4214 1.008000 0.423800 1.8586E+01 -1.0279E+00 1.9378E+01 H2 4215 1.008000 0.423800 1.7272E+01 -2.8066E-01 -1.9102E+01 O6 4216 15.999400 -0.847600 1.6480E+01 -1.3173E+01 -7.5834E+00 H1 4217 1.008000 0.423800 1.5805E+01 -1.2447E+01 -7.7127E+00 H2 4218 1.008000 0.423800 1.6012E+01 -1.4030E+01 -7.3671E+00 O6 4219 15.999400 -0.847600 4.3611E+00 3.8777E-01 7.3295E+00 H1 4220 1.008000 0.423800 4.6958E+00 1.2600E+00 6.9727E+00 H2 4221 1.008000 0.423800 4.3522E+00 4.1797E-01 8.3290E+00 O6 4222 15.999400 -0.847600 1.9107E+01 8.7256E+00 1.3674E+01 H1 4223 1.008000 0.423800 1.9314E+01 8.3291E+00 1.2780E+01 H2 4224 1.008000 0.423800 1.8177E+01 8.4744E+00 1.3943E+01 O6 4225 15.999400 -0.847600 -1.4844E+01 1.9151E+01 -1.8526E+01 H1 4226 1.008000 0.423800 -1.5330E+01 1.8755E+01 -1.9305E+01 H2 4227 1.008000 0.423800 -1.5498E+01 1.9371E+01 -1.7802E+01 O6 4228 15.999400 -0.847600 1.3089E+00 -8.4216E+00 -1.4128E+01 H1 4229 1.008000 0.423800 7.7954E-01 -7.5749E+00 -1.4073E+01 H2 4230 1.008000 0.423800 1.6782E+00 -8.6430E+00 -1.3226E+01 O6 4231 15.999400 -0.847600 -1.8202E+01 -8.9862E+00 -7.4744E+00 H1 4232 1.008000 0.423800 -1.7475E+01 -9.4558E+00 -6.9736E+00 H2 4233 1.008000 0.423800 -1.8833E+01 -9.6613E+00 -7.8575E+00 O6 4234 15.999400 -0.847600 1.8187E+01 -1.5620E+01 -1.1286E+01 H1 4235 1.008000 0.423800 1.8112E+01 -1.5974E+01 -1.2219E+01 H2 4236 1.008000 0.423800 1.7280E+01 -1.5592E+01 -1.0867E+01 O6 4237 15.999400 -0.847600 1.7290E+01 -4.8439E+00 -4.5131E+00 H1 4238 1.008000 0.423800 1.8241E+01 -5.0628E+00 -4.2963E+00 H2 4239 1.008000 0.423800 1.7263E+01 -4.1321E+00 -5.2150E+00 O6 4240 15.999400 -0.847600 -1.1393E+01 -1.3403E+01 6.1360E+00 H1 4241 1.008000 0.423800 -1.0829E+01 -1.2637E+01 6.4450E+00 H2 4242 1.008000 0.423800 -1.2049E+01 -1.3645E+01 6.8515E+00 O6 4243 15.999400 -0.847600 -1.6565E+01 7.5904E+00 1.6512E+00 H1 4244 1.008000 0.423800 -1.6987E+01 7.7398E+00 2.5455E+00 H2 4245 1.008000 0.423800 -1.6385E+01 8.4726E+00 1.2162E+00 O6 4246 15.999400 -0.847600 -1.3238E+01 8.9867E+00 -9.9549E-01 H1 4247 1.008000 0.423800 -1.4081E+01 9.2366E+00 -5.1860E-01 H2 4248 1.008000 0.423800 -1.2451E+01 9.3298E+00 -4.8307E-01 O6 4249 15.999400 -0.847600 -1.8899E+01 -8.5085E+00 6.8013E+00 H1 4250 1.008000 0.423800 -1.8642E+01 -8.0439E+00 7.6488E+00 H2 4251 1.008000 0.423800 -1.8081E+01 -8.6771E+00 6.2524E+00 O6 4252 15.999400 -0.847600 -1.8281E+01 7.8126E+00 6.7337E+00 H1 4253 1.008000 0.423800 -1.8562E+01 8.1710E+00 7.6241E+00 H2 4254 1.008000 0.423800 -1.7435E+01 7.2894E+00 6.8366E+00 O6 4255 15.999400 -0.847600 -9.0609E+00 1.6650E+01 -6.8109E+00 H1 4256 1.008000 0.423800 -8.1968E+00 1.6156E+01 -6.9071E+00 H2 4257 1.008000 0.423800 -8.9003E+00 1.7512E+01 -6.3293E+00 O6 4258 15.999400 -0.847600 4.0083E+00 7.7226E+00 -5.4594E+00 H1 4259 1.008000 0.423800 3.7781E+00 7.0833E+00 -4.7257E+00 H2 4260 1.008000 0.423800 4.9991E+00 7.7330E+00 -5.5937E+00 O6 4261 15.999400 -0.847600 -1.4467E+00 -3.8128E+00 -1.0408E+01 H1 4262 1.008000 0.423800 -1.9156E+00 -3.7089E+00 -1.1285E+01 H2 4263 1.008000 0.423800 -1.9088E+00 -3.2589E+00 -9.7154E+00 O6 4264 15.999400 -0.847600 -7.4225E-01 -1.4659E+01 -1.2599E+01 H1 4265 1.008000 0.423800 8.5041E-02 -1.4245E+01 -1.2979E+01 H2 4266 1.008000 0.423800 -6.5140E-01 -1.4734E+01 -1.1606E+01 O6 4267 15.999400 -0.847600 -1.2557E+01 -4.6988E+00 6.5058E+00 H1 4268 1.008000 0.423800 -1.2782E+01 -4.9505E+00 7.4472E+00 H2 4269 1.008000 0.423800 -1.2965E+01 -3.8111E+00 6.2920E+00 O6 4270 15.999400 -0.847600 7.2844E+00 -1.6376E+01 1.0617E+01 H1 4271 1.008000 0.423800 6.6195E+00 -1.5804E+01 1.1098E+01 H2 4272 1.008000 0.423800 6.9625E+00 -1.6552E+01 9.6872E+00 O6 4273 15.999400 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1.6583E-02 H2 4290 1.008000 0.423800 -9.4817E+00 1.6660E+01 -6.4950E-01 O6 4291 15.999400 -0.847600 -2.7419E+00 -1.4592E+01 -2.2815E-01 H1 4292 1.008000 0.423800 -2.6448E+00 -1.3790E+01 3.6148E-01 H2 4293 1.008000 0.423800 -3.6517E+00 -1.4592E+01 -6.4326E-01 O6 4294 15.999400 -0.847600 -1.0940E+01 -1.7113E+01 -1.7036E+01 H1 4295 1.008000 0.423800 -1.1208E+01 -1.7694E+01 -1.6267E+01 H2 4296 1.008000 0.423800 -9.9537E+00 -1.6952E+01 -1.7004E+01 O6 4297 15.999400 -0.847600 1.8398E+01 -5.9931E+00 -1.4800E+00 H1 4298 1.008000 0.423800 1.8293E+01 -6.5721E+00 -6.7137E-01 H2 4299 1.008000 0.423800 1.8852E+01 -5.1404E+00 -1.2226E+00 O6 4300 15.999400 -0.847600 4.3522E+00 -1.3005E+01 -1.4297E+01 H1 4301 1.008000 0.423800 4.4210E+00 -1.2937E+01 -1.3302E+01 H2 4302 1.008000 0.423800 3.5851E+00 -1.3599E+01 -1.4538E+01 O6 4303 15.999400 -0.847600 1.0898E+01 -1.5772E+01 8.3061E+00 H1 4304 1.008000 0.423800 1.1859E+01 -1.5512E+01 8.2096E+00 H2 4305 1.008000 0.423800 1.0548E+01 -1.5438E+01 9.1812E+00 O6 4306 15.999400 -0.847600 8.3109E+00 1.1387E+01 8.5486E+00 H1 4307 1.008000 0.423800 7.9397E+00 1.0465E+01 8.4359E+00 H2 4308 1.008000 0.423800 8.9802E+00 1.1388E+01 9.2915E+00 O6 4309 15.999400 -0.847600 -1.0212E+00 2.9106E+00 -1.4758E+01 H1 4310 1.008000 0.423800 -3.9893E-01 3.1959E+00 -1.5487E+01 H2 4311 1.008000 0.423800 -1.8221E+00 3.5093E+00 -1.4750E+01 O6 4312 15.999400 -0.847600 -6.1941E+00 7.2018E+00 1.2061E+01 H1 4313 1.008000 0.423800 -5.7145E+00 6.4805E+00 1.2560E+01 H2 4314 1.008000 0.423800 -6.2245E+00 6.9698E+00 1.1088E+01 O6 4315 15.999400 -0.847600 1.5601E+01 -6.2377E+00 -2.2727E+00 H1 4316 1.008000 0.423800 1.5275E+01 -5.7681E+00 -3.0932E+00 H2 4317 1.008000 0.423800 1.6553E+01 -5.9851E+00 -2.1000E+00 O6 4318 15.999400 -0.847600 1.3489E+01 8.7755E+00 -1.2190E+01 H1 4319 1.008000 0.423800 1.3862E+01 8.7451E+00 -1.1262E+01 H2 4320 1.008000 0.423800 1.4240E+01 8.8346E+00 -1.2848E+01 O6 4321 15.999400 -0.847600 -6.5620E+00 3.2917E+00 5.1523E+00 H1 4322 1.008000 0.423800 -6.8555E+00 2.5107E+00 5.7036E+00 H2 4323 1.008000 0.423800 -7.2812E+00 3.9865E+00 5.1493E+00 O6 4324 15.999400 -0.847600 -4.5735E-01 1.3063E+01 -3.6083E+00 H1 4325 1.008000 0.423800 -5.0663E-01 1.2530E+01 -4.4529E+00 H2 4326 1.008000 0.423800 -1.3796E+00 1.3202E+01 -3.2473E+00 O6 4327 15.999400 -0.847600 5.8453E+00 -3.2168E+00 3.9855E+00 H1 4328 1.008000 0.423800 4.9001E+00 -2.9672E+00 4.1961E+00 H2 4329 1.008000 0.423800 6.2464E+00 -2.5256E+00 3.3844E+00 O6 4330 15.999400 -0.847600 -1.6641E+01 9.7310E-01 1.6525E+01 H1 4331 1.008000 0.423800 -1.7515E+01 1.1137E+00 1.6060E+01 H2 4332 1.008000 0.423800 -1.6703E+01 1.6852E-01 1.7116E+01 O6 4333 15.999400 -0.847600 -7.9931E+00 1.9203E+01 -1.4347E+01 H1 4334 1.008000 0.423800 -7.8258E+00 1.8946E+01 -1.5299E+01 H2 4335 1.008000 0.423800 -7.4182E+00 -1.9112E+01 -1.4107E+01 O6 4336 15.999400 -0.847600 -4.6237E+00 1.4228E+01 -1.7103E+01 H1 4337 1.008000 0.423800 -4.6927E+00 1.4516E+01 -1.8058E+01 H2 4338 1.008000 0.423800 -5.5410E+00 1.4135E+01 -1.6716E+01 O6 4339 15.999400 -0.847600 3.6136E+00 8.6182E+00 1.3255E+01 H1 4340 1.008000 0.423800 2.7676E+00 8.3333E+00 1.2804E+01 H2 4341 1.008000 0.423800 4.3012E+00 7.8985E+00 1.3158E+01 O6 4342 15.999400 -0.847600 -5.3350E-01 1.1621E+01 1.0673E+01 H1 4343 1.008000 0.423800 2.2172E-02 1.1945E+01 1.1439E+01 H2 4344 1.008000 0.423800 -1.1953E+00 1.2326E+01 1.0419E+01 O6 4345 15.999400 -0.847600 -1.4795E+01 1.4821E+01 1.1397E+00 H1 4346 1.008000 0.423800 -1.3940E+01 1.4797E+01 1.6583E+00 H2 4347 1.008000 0.423800 -1.4594E+01 1.4993E+01 1.7508E-01 O6 4348 15.999400 -0.847600 1.1326E+01 1.6030E+01 -1.3103E+00 H1 4349 1.008000 0.423800 1.0459E+01 1.6333E+01 -1.7041E+00 H2 4350 1.008000 0.423800 1.2080E+01 1.6324E+01 -1.8980E+00 O6 4351 15.999400 -0.847600 -9.3429E+00 3.8756E+00 2.6141E+00 H1 4352 1.008000 0.423800 -8.3993E+00 4.1979E+00 2.5379E+00 H2 4353 1.008000 0.423800 -9.7198E+00 3.7291E+00 1.6996E+00 O6 4354 15.999400 -0.847600 4.9548E+00 -1.5251E+01 1.5096E+01 H1 4355 1.008000 0.423800 5.5976E+00 -1.5110E+01 1.5849E+01 H2 4356 1.008000 0.423800 4.4142E+00 -1.4420E+01 1.4961E+01 O6 4357 15.999400 -0.847600 1.3504E+01 -7.7135E+00 1.7848E+01 H1 4358 1.008000 0.423800 1.3543E+01 -7.8965E+00 1.8831E+01 H2 4359 1.008000 0.423800 1.4283E+01 -8.1487E+00 1.7397E+01 O6 4360 15.999400 -0.847600 3.1110E+00 -1.8452E+00 -1.3912E+01 H1 4361 1.008000 0.423800 3.3116E+00 -2.7181E+00 -1.3467E+01 H2 4362 1.008000 0.423800 3.4967E+00 -1.8450E+00 -1.4834E+01 O6 4363 15.999400 -0.847600 1.8035E+01 1.3251E+01 1.3284E+01 H1 4364 1.008000 0.423800 1.7555E+01 1.4128E+01 1.3270E+01 H2 4365 1.008000 0.423800 1.7648E+01 1.2647E+01 1.2587E+01 O6 4366 15.999400 -0.847600 1.9508E+00 -9.2146E+00 1.3431E+01 H1 4367 1.008000 0.423800 1.3786E+00 -9.2335E+00 1.4251E+01 H2 4368 1.008000 0.423800 2.9145E+00 -9.1976E+00 1.3698E+01 O6 4369 15.999400 -0.847600 1.7849E+01 -1.0782E+01 -1.7056E+00 H1 4370 1.008000 0.423800 1.8762E+01 -1.0405E+01 -1.8606E+00 H2 4371 1.008000 0.423800 1.7782E+01 -1.1680E+01 -2.1387E+00 O6 4372 15.999400 -0.847600 -2.0112E+00 -3.8355E+00 -1.3003E+01 H1 4373 1.008000 0.423800 -2.7420E+00 -3.3717E+00 -1.3504E+01 H2 4374 1.008000 0.423800 -1.1498E+00 -3.3470E+00 -1.3142E+01 O6 4375 15.999400 -0.847600 -1.6706E+01 -5.2584E+00 -3.9656E+00 H1 4376 1.008000 0.423800 -1.5961E+01 -5.6127E+00 -3.3998E+00 H2 4377 1.008000 0.423800 -1.6599E+01 -4.2705E+00 -4.0774E+00 O6 4378 15.999400 -0.847600 -3.3294E-01 -4.3109E+00 -4.9475E+00 H1 4379 1.008000 0.423800 -1.9230E-01 -4.5995E+00 -4.0004E+00 H2 4380 1.008000 0.423800 -1.0270E-02 -5.0276E+00 -5.5657E+00 O6 4381 15.999400 -0.847600 7.1514E+00 -8.7780E+00 1.1701E+01 H1 4382 1.008000 0.423800 8.1295E+00 -8.8838E+00 1.1881E+01 H2 4383 1.008000 0.423800 6.8553E+00 -7.8688E+00 1.1994E+01 O6 4384 15.999400 -0.847600 1.0565E+01 9.9942E+00 -7.0085E+00 H1 4385 1.008000 0.423800 1.0271E+01 9.2054E+00 -6.4689E+00 H2 4386 1.008000 0.423800 1.0770E+01 9.7014E+00 -7.9424E+00 O6 4387 15.999400 -0.847600 1.4446E+00 -6.2236E+00 1.8454E+00 H1 4388 1.008000 0.423800 4.6988E-01 -6.4465E+00 1.8312E+00 H2 4389 1.008000 0.423800 1.7744E+00 -6.1109E+00 9.0807E-01 O6 4390 15.999400 -0.847600 1.7715E+01 1.2683E+01 -1.4047E+01 H1 4391 1.008000 0.423800 1.7141E+01 1.2230E+01 -1.4729E+01 H2 4392 1.008000 0.423800 1.7601E+01 1.2231E+01 -1.3162E+01 O6 4393 15.999400 -0.847600 -7.6427E+00 1.1353E+01 1.1485E+01 H1 4394 1.008000 0.423800 -7.6776E+00 1.2286E+01 1.1843E+01 H2 4395 1.008000 0.423800 -7.0438E+00 1.1325E+01 1.0685E+01 O6 4396 15.999400 -0.847600 -4.6329E+00 -4.3812E+00 9.4124E+00 H1 4397 1.008000 0.423800 -4.6792E+00 -5.0485E+00 1.0156E+01 H2 4398 1.008000 0.423800 -3.6757E+00 -4.1879E+00 9.1972E+00 O6 4399 15.999400 -0.847600 1.4005E+01 1.5851E+01 -4.6885E+00 H1 4400 1.008000 0.423800 1.4061E+01 1.6796E+01 -4.3656E+00 H2 4401 1.008000 0.423800 1.4120E+01 1.5831E+01 -5.6816E+00 O6 4402 15.999400 -0.847600 9.8821E+00 -1.0369E+01 8.2062E+00 H1 4403 1.008000 0.423800 9.2311E+00 -1.1085E+01 8.4590E+00 H2 4404 1.008000 0.423800 9.8081E+00 -1.0182E+01 7.2267E+00 O6 4405 15.999400 -0.847600 -6.9260E+00 -4.1102E+00 2.3772E+00 H1 4406 1.008000 0.423800 -6.5541E+00 -3.8487E+00 1.4865E+00 H2 4407 1.008000 0.423800 -6.3784E+00 -3.6930E+00 3.1025E+00 O6 4408 15.999400 -0.847600 1.2522E+01 -1.0217E+01 -1.8009E+01 H1 4409 1.008000 0.423800 1.3263E+01 -1.0886E+01 -1.7957E+01 H2 4410 1.008000 0.423800 1.2899E+01 -9.3206E+00 -1.8244E+01 O6 4411 15.999400 -0.847600 -8.6656E+00 -5.6964E+00 -1.2085E+01 H1 4412 1.008000 0.423800 -9.6647E+00 -5.7361E+00 -1.2097E+01 H2 4413 1.008000 0.423800 -8.3447E+00 -5.6747E+00 -1.1138E+01 O6 4414 15.999400 -0.847600 1.0706E+00 9.4813E-01 -1.1290E+01 H1 4415 1.008000 0.423800 7.7050E-01 6.5610E-02 -1.0928E+01 H2 4416 1.008000 0.423800 2.7259E-01 1.5229E+00 -1.1471E+01 O6 4417 15.999400 -0.847600 -1.4254E+01 -4.1616E+00 1.7128E+01 H1 4418 1.008000 0.423800 -1.3494E+01 -3.7046E+00 1.7589E+01 H2 4419 1.008000 0.423800 -1.4398E+01 -5.0632E+00 1.7536E+01 O6 4420 15.999400 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-3.3786E+00 -7.7805E+00 -6.8664E+00 H2 4437 1.008000 0.423800 -3.7743E+00 -7.1228E+00 -8.3076E+00 O6 4438 15.999400 -0.847600 -8.1847E+00 9.1875E+00 1.9170E+01 H1 4439 1.008000 0.423800 -8.0289E+00 8.8315E+00 1.8249E+01 H2 4440 1.008000 0.423800 -7.8468E+00 8.5296E+00 -1.9254E+01 O6 4441 15.999400 -0.847600 1.3214E+01 1.9548E+01 1.7286E+01 H1 4442 1.008000 0.423800 1.2823E+01 -1.9431E+01 1.6373E+01 H2 4443 1.008000 0.423800 1.3286E+01 1.8572E+01 1.7493E+01 O6 4444 15.999400 -0.847600 1.1021E+01 1.6259E+01 1.1498E+01 H1 4445 1.008000 0.423800 1.0071E+01 1.6462E+01 1.1263E+01 H2 4446 1.008000 0.423800 1.1102E+01 1.5297E+01 1.1760E+01 O6 4447 15.999400 -0.847600 2.3985E+00 6.4986E-01 1.4545E+01 H1 4448 1.008000 0.423800 1.6547E+00 4.7743E-01 1.3899E+01 H2 4449 1.008000 0.423800 2.0215E+00 7.6658E-01 1.5463E+01 O6 4450 15.999400 -0.847600 -2.5386E+00 1.5813E+01 -4.1962E+00 H1 4451 1.008000 0.423800 -1.6068E+00 1.6169E+01 -4.2704E+00 H2 4452 1.008000 0.423800 -2.5711E+00 1.5109E+01 -3.4876E+00 O6 4453 15.999400 -0.847600 -5.0772E+00 -1.2720E+01 -2.2650E+00 H1 4454 1.008000 0.423800 -4.8760E+00 -1.3668E+01 -2.0190E+00 H2 4455 1.008000 0.423800 -4.7567E+00 -1.2542E+01 -3.1953E+00 O6 4456 15.999400 -0.847600 9.7791E+00 1.1863E+01 -1.6976E+01 H1 4457 1.008000 0.423800 1.0271E+01 1.2158E+01 -1.7795E+01 H2 4458 1.008000 0.423800 1.0436E+01 1.1601E+01 -1.6269E+01 O6 4459 15.999400 -0.847600 -1.3399E+01 -1.6728E+01 1.0903E+01 H1 4460 1.008000 0.423800 -1.2548E+01 -1.6914E+01 1.1394E+01 H2 4461 1.008000 0.423800 -1.3440E+01 -1.7296E+01 1.0080E+01 O6 4462 15.999400 -0.847600 -1.6441E+01 1.3136E+01 -1.8076E+00 H1 4463 1.008000 0.423800 -1.5916E+01 1.2995E+01 -9.6809E-01 H2 4464 1.008000 0.423800 -1.6918E+01 1.4013E+01 -1.7594E+00 O6 4465 15.999400 -0.847600 3.6335E+00 1.9313E+01 -2.2874E+00 H1 4466 1.008000 0.423800 4.0767E+00 -1.8991E+01 -1.8711E+00 H2 4467 1.008000 0.423800 2.6465E+00 1.9364E+01 -2.1350E+00 O6 4468 15.999400 -0.847600 -3.4364E+00 -4.4961E+00 1.9272E+01 H1 4469 1.008000 0.423800 -2.9253E+00 -5.3094E+00 1.8994E+01 H2 4470 1.008000 0.423800 -2.8493E+00 -3.9072E+00 -1.9270E+01 O6 4471 15.999400 -0.847600 7.6119E+00 1.3483E+00 -1.1127E+01 H1 4472 1.008000 0.423800 7.9337E+00 1.2125E+00 -1.2064E+01 H2 4473 1.008000 0.423800 6.6388E+00 1.1245E+00 -1.1073E+01 O6 4474 15.999400 -0.847600 -1.8338E+01 -1.2656E+01 -6.6426E+00 H1 4475 1.008000 0.423800 -1.9262E+01 -1.2280E+01 -6.5772E+00 H2 4476 1.008000 0.423800 -1.8217E+01 -1.3365E+01 -5.9479E+00 O6 4477 15.999400 -0.847600 -1.6860E+01 -1.5231E+01 1.8854E+01 H1 4478 1.008000 0.423800 -1.6669E+01 -1.4492E+01 1.8207E+01 H2 4479 1.008000 0.423800 -1.6020E+01 -1.5742E+01 1.9034E+01 O6 4480 15.999400 -0.847600 -1.0439E+00 -8.8233E-01 2.0401E-01 H1 4481 1.008000 0.423800 -4.8248E-01 -5.8464E-02 1.2563E-01 H2 4482 1.008000 0.423800 -7.6893E-01 -1.3969E+00 1.0162E+00 O6 4483 15.999400 -0.847600 1.5054E+01 1.1681E+01 -1.8761E+01 H1 4484 1.008000 0.423800 1.4590E+01 1.2449E+01 -1.9201E+01 H2 4485 1.008000 0.423800 1.5736E+01 1.1301E+01 -1.9386E+01 O6 4486 15.999400 -0.847600 -3.0273E+00 -1.6889E+01 1.0901E+01 H1 4487 1.008000 0.423800 -2.3712E+00 -1.7573E+01 1.0582E+01 H2 4488 1.008000 0.423800 -2.8333E+00 -1.6012E+01 1.0463E+01 O6 4489 15.999400 -0.847600 1.9499E+01 -1.0232E+01 1.4850E+01 H1 4490 1.008000 0.423800 1.9310E+01 -1.0683E+01 1.5723E+01 H2 4491 1.008000 0.423800 1.9291E+01 -9.2566E+00 1.4928E+01 O6 4492 15.999400 -0.847600 -1.6629E+01 -1.1743E+01 8.3800E+00 H1 4493 1.008000 0.423800 -1.5931E+01 -1.2276E+01 7.9028E+00 H2 4494 1.008000 0.423800 -1.6455E+01 -1.0768E+01 8.2440E+00 O6 4495 15.999400 -0.847600 4.2980E+00 8.3411E+00 -1.1167E+01 H1 4496 1.008000 0.423800 3.4814E+00 7.8453E+00 -1.0871E+01 H2 4497 1.008000 0.423800 5.1125E+00 7.8082E+00 -1.0938E+01 O6 4498 15.999400 -0.847600 -2.2800E+00 1.1700E+01 4.3166E+00 H1 4499 1.008000 0.423800 -1.8984E+00 1.2451E+01 3.7772E+00 H2 4500 1.008000 0.423800 -3.2727E+00 1.1804E+01 4.3769E+00 O6 4501 15.999400 -0.847600 1.2743E+00 -3.6001E+00 -7.4288E+00 H1 4502 1.008000 0.423800 1.9174E+00 -3.4008E+00 -6.6893E+00 H2 4503 1.008000 0.423800 1.0195E+00 -2.7488E+00 -7.8873E+00 O6 4504 15.999400 -0.847600 1.5973E+01 4.2783E+00 1.6858E+01 H1 4505 1.008000 0.423800 1.5078E+01 4.7206E+00 1.6801E+01 H2 4506 1.008000 0.423800 1.6392E+01 4.4861E+00 1.7742E+01 O6 4507 15.999400 -0.847600 -1.7100E+01 5.1690E-01 -1.5399E+01 H1 4508 1.008000 0.423800 -1.6945E+01 1.3901E+00 -1.4937E+01 H2 4509 1.008000 0.423800 -1.6787E+01 -2.3048E-01 -1.4814E+01 O6 4510 15.999400 -0.847600 -1.4553E+01 -5.3717E+00 -2.1816E+00 H1 4511 1.008000 0.423800 -1.4170E+01 -6.2844E+00 -2.3245E+00 H2 4512 1.008000 0.423800 -1.4343E+01 -5.0636E+00 -1.2537E+00 O6 4513 15.999400 -0.847600 1.7828E+01 -1.1358E+01 -1.1078E+01 H1 4514 1.008000 0.423800 1.6988E+01 -1.1874E+01 -1.1248E+01 H2 4515 1.008000 0.423800 1.7776E+01 -1.0475E+01 -1.1543E+01 O6 4516 15.999400 -0.847600 -1.6161E+01 2.7547E+00 9.8709E+00 H1 4517 1.008000 0.423800 -1.6315E+01 1.9890E+00 1.0495E+01 H2 4518 1.008000 0.423800 -1.6099E+01 2.4127E+00 8.9332E+00 O6 4519 15.999400 -0.847600 7.0042E+00 1.2987E+01 -1.1263E+01 H1 4520 1.008000 0.423800 7.5298E+00 1.3836E+01 -1.1320E+01 H2 4521 1.008000 0.423800 7.0489E+00 1.2507E+01 -1.2139E+01 O6 4522 15.999400 -0.847600 1.8796E+01 1.7784E+01 -1.3489E+01 H1 4523 1.008000 0.423800 -1.9330E+01 1.8020E+01 -1.3508E+01 H2 4524 1.008000 0.423800 1.8673E+01 1.6918E+01 -1.3005E+01 O6 4525 15.999400 -0.847600 8.3528E+00 7.5237E+00 -4.0110E-01 H1 4526 1.008000 0.423800 8.8086E+00 7.4309E+00 4.8417E-01 H2 4527 1.008000 0.423800 8.0770E+00 6.6206E+00 -7.3018E-01 O6 4528 15.999400 -0.847600 -1.7514E+01 -6.2366E+00 -6.6663E-01 H1 4529 1.008000 0.423800 -1.7116E+01 -5.3196E+00 -6.9053E-01 H2 4530 1.008000 0.423800 -1.8282E+01 -6.2497E+00 -2.6492E-02 O6 4531 15.999400 -0.847600 -1.2748E+01 -9.9671E+00 1.1305E+01 H1 4532 1.008000 0.423800 -1.1851E+01 -1.0224E+01 1.0943E+01 H2 4533 1.008000 0.423800 -1.3130E+01 -9.2269E+00 1.0752E+01 O6 4534 15.999400 -0.847600 -7.1434E+00 -1.2409E+01 -1.5429E+01 H1 4535 1.008000 0.423800 -6.3543E+00 -1.2994E+01 -1.5616E+01 H2 4536 1.008000 0.423800 -7.9134E+00 -1.2973E+01 -1.5130E+01 O6 4537 15.999400 -0.847600 1.6393E+01 1.1618E+00 -1.6683E+01 H1 4538 1.008000 0.423800 1.6071E+01 7.9449E-01 -1.5811E+01 H2 4539 1.008000 0.423800 1.7345E+01 1.4536E+00 -1.6591E+01 O6 4540 15.999400 -0.847600 -3.5222E+00 -9.6369E+00 -1.9377E+01 H1 4541 1.008000 0.423800 -3.7728E+00 -8.7389E+00 1.9359E+01 H2 4542 1.008000 0.423800 -2.7064E+00 -9.5500E+00 -1.8805E+01 O6 4543 15.999400 -0.847600 -1.6071E+01 1.7086E+01 -1.1579E+01 H1 4544 1.008000 0.423800 -1.5381E+01 1.6362E+01 -1.1593E+01 H2 4545 1.008000 0.423800 -1.6909E+01 1.6738E+01 -1.1160E+01 O6 4546 15.999400 -0.847600 -1.1724E+01 -9.3686E+00 -1.0449E+01 H1 4547 1.008000 0.423800 -1.1256E+01 -8.6049E+00 -1.0004E+01 H2 4548 1.008000 0.423800 -1.1627E+01 -9.2868E+00 -1.1441E+01 O6 4549 15.999400 -0.847600 3.7466E+00 1.9043E+01 -1.3436E+01 H1 4550 1.008000 0.423800 2.8522E+00 1.9478E+01 -1.3540E+01 H2 4551 1.008000 0.423800 4.4359E+00 -1.9357E+01 -1.3240E+01 O6 4552 15.999400 -0.847600 -1.6008E+00 -2.8640E+00 -1.5453E+00 H1 4553 1.008000 0.423800 -2.5515E+00 -3.1740E+00 -1.5600E+00 H2 4554 1.008000 0.423800 -1.5408E+00 -1.9966E+00 -1.0513E+00 O6 4555 15.999400 -0.847600 3.9687E+00 1.1131E+01 1.3857E+01 H1 4556 1.008000 0.423800 4.0038E+00 1.0142E+01 1.3714E+01 H2 4557 1.008000 0.423800 4.8984E+00 1.1488E+01 1.3948E+01 O6 4558 15.999400 -0.847600 -1.1904E+01 -1.7278E+01 7.3878E+00 H1 4559 1.008000 0.423800 -1.2792E+01 -1.7444E+01 7.8164E+00 H2 4560 1.008000 0.423800 -1.1845E+01 -1.7793E+01 6.5331E+00 O6 4561 15.999400 -0.847600 -9.7413E+00 -9.6278E+00 1.9015E+01 H1 4562 1.008000 0.423800 -1.0630E+01 -9.1910E+00 1.9155E+01 H2 4563 1.008000 0.423800 -9.4017E+00 -9.9795E+00 -1.9210E+01 O6 4564 15.999400 -0.847600 7.4821E+00 4.8023E+00 -3.8834E+00 H1 4565 1.008000 0.423800 7.5232E+00 5.3744E+00 -4.7026E+00 H2 4566 1.008000 0.423800 7.5080E+00 3.8384E+00 -4.1485E+00 O6 4567 15.999400 -0.847600 1.7952E+00 -1.3579E+01 -8.4405E+00 H1 4568 1.008000 0.423800 1.7929E+00 -1.2882E+01 -7.7240E+00 H2 4569 1.008000 0.423800 2.7344E+00 -1.3875E+01 -8.6144E+00 O6 4570 15.999400 -0.847600 -1.7212E+00 1.0942E+01 -1.6047E+01 H1 4571 1.008000 0.423800 -1.4197E+00 1.0816E+01 -1.5102E+01 H2 4572 1.008000 0.423800 -2.5756E+00 1.1461E+01 -1.6058E+01 O6 4573 15.999400 -0.847600 -1.8615E+01 2.7978E+00 -1.1087E+01 H1 4574 1.008000 0.423800 -1.8373E+01 1.8964E+00 -1.1447E+01 H2 4575 1.008000 0.423800 -1.8624E+01 2.7666E+00 -1.0088E+01 O6 4576 15.999400 -0.847600 -8.7500E+00 5.4905E+00 -1.8367E+01 H1 4577 1.008000 0.423800 -9.3720E+00 6.2466E+00 -1.8571E+01 H2 4578 1.008000 0.423800 -8.0205E+00 5.8123E+00 -1.7764E+01 O6 4579 15.999400 -0.847600 1.7490E+01 -1.4449E+01 -4.6553E+00 H1 4580 1.008000 0.423800 1.6741E+01 -1.5109E+01 -4.5983E+00 H2 4581 1.008000 0.423800 1.8191E+01 -1.4793E+01 -5.2802E+00 O6 4582 15.999400 -0.847600 -6.7460E+00 -1.4933E+01 9.7050E+00 H1 4583 1.008000 0.423800 -6.2420E+00 -1.4070E+01 9.7168E+00 H2 4584 1.008000 0.423800 -7.5225E+00 -1.4875E+01 1.0332E+01 O6 4585 15.999400 -0.847600 8.5016E-01 2.0058E+00 -6.9699E+00 H1 4586 1.008000 0.423800 1.4930E+00 2.1568E+00 -7.7209E+00 H2 4587 1.008000 0.423800 1.3571E+00 1.8878E+00 -6.1160E+00 O6 4588 15.999400 -0.847600 -1.0542E+01 1.3306E+01 1.1960E+01 H1 4589 1.008000 0.423800 -1.0729E+01 1.3677E+01 1.2869E+01 H2 4590 1.008000 0.423800 -1.0973E+01 1.2408E+01 1.1871E+01 O6 4591 15.999400 -0.847600 -1.4749E+01 -2.8238E+00 -6.0439E+00 H1 4592 1.008000 0.423800 -1.5497E+01 -2.3822E+00 -5.5480E+00 H2 4593 1.008000 0.423800 -1.5126E+01 -3.4477E+00 -6.7285E+00 O6 4594 15.999400 -0.847600 1.1900E+00 -1.7519E+01 -9.6283E+00 H1 4595 1.008000 0.423800 2.1105E+00 -1.7129E+01 -9.6001E+00 H2 4596 1.008000 0.423800 1.2300E+00 -1.8487E+01 -9.3800E+00 O6 4597 15.999400 -0.847600 7.1975E+00 1.3124E+01 1.5568E+01 H1 4598 1.008000 0.423800 6.5133E+00 1.3548E+01 1.4975E+01 H2 4599 1.008000 0.423800 7.9480E+00 1.2769E+01 1.5011E+01 O6 4600 15.999400 -0.847600 -1.3569E+01 -9.3975E+00 -8.5464E+00 H1 4601 1.008000 0.423800 -1.2813E+01 -9.6262E+00 -9.1597E+00 H2 4602 1.008000 0.423800 -1.4298E+01 -8.9525E+00 -9.0671E+00 O6 4603 15.999400 -0.847600 1.4271E+01 -3.1563E+00 2.7110E+00 H1 4604 1.008000 0.423800 1.4190E+01 -2.9853E+00 3.6930E+00 H2 4605 1.008000 0.423800 1.3660E+01 -3.9050E+00 2.4518E+00 O6 4606 15.999400 -0.847600 -1.5927E+01 1.5050E+01 -1.8763E+01 H1 4607 1.008000 0.423800 -1.5650E+01 1.4311E+01 -1.9376E+01 H2 4608 1.008000 0.423800 -1.5466E+01 1.4943E+01 -1.7882E+01 O6 4609 15.999400 -0.847600 3.3041E-01 -5.9617E+00 -1.6094E+01 H1 4610 1.008000 0.423800 5.9050E-01 -5.7680E+00 -1.7040E+01 H2 4611 1.008000 0.423800 -6.4277E-01 -6.1885E+00 -1.6056E+01 O6 4612 15.999400 -0.847600 3.1710E+00 -4.0599E+00 -1.2159E+01 H1 4613 1.008000 0.423800 3.7511E+00 -3.3164E+00 -1.1826E+01 H2 4614 1.008000 0.423800 2.4292E+00 -4.2208E+00 -1.1508E+01 O6 4615 15.999400 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1.2278E+01 -1.6576E+01 -1.1164E+01 H2 4632 1.008000 0.423800 1.2159E+01 -1.5290E+01 -1.0165E+01 O6 4633 15.999400 -0.847600 4.8268E+00 -1.5015E+01 4.0783E-01 H1 4634 1.008000 0.423800 4.2726E+00 -1.4606E+01 1.1327E+00 H2 4635 1.008000 0.423800 4.4347E+00 -1.5897E+01 1.4626E-01 O6 4636 15.999400 -0.847600 1.6433E+01 -1.7592E+01 7.7742E+00 H1 4637 1.008000 0.423800 1.6668E+01 -1.6874E+01 8.4290E+00 H2 4638 1.008000 0.423800 1.7263E+01 -1.8079E+01 7.5014E+00 O6 4639 15.999400 -0.847600 -1.8825E+01 -6.6998E+00 9.1286E+00 H1 4640 1.008000 0.423800 -1.7926E+01 -6.4043E+00 9.4528E+00 H2 4641 1.008000 0.423800 -1.9079E+01 -7.5531E+00 9.5837E+00 O6 4642 15.999400 -0.847600 8.3143E+00 1.5420E+01 -1.1874E+01 H1 4643 1.008000 0.423800 8.8262E+00 1.5781E+01 -1.1095E+01 H2 4644 1.008000 0.423800 8.8649E+00 1.4731E+01 -1.2345E+01 O6 4645 15.999400 -0.847600 4.6627E+00 -1.7446E+01 -1.4103E+00 H1 4646 1.008000 0.423800 3.9061E+00 -1.7181E+01 -2.0081E+00 H2 4647 1.008000 0.423800 5.4565E+00 -1.6869E+01 -1.6017E+00 O6 4648 15.999400 -0.847600 -1.5329E+01 1.8757E+01 9.1589E+00 H1 4649 1.008000 0.423800 -1.6127E+01 1.8993E+01 9.7120E+00 H2 4650 1.008000 0.423800 -1.5163E+01 1.7772E+01 9.2161E+00 O6 4651 15.999400 -0.847600 -1.4290E+01 -9.8615E+00 6.3248E+00 H1 4652 1.008000 0.423800 -1.3370E+01 -9.5220E+00 6.5188E+00 H2 4653 1.008000 0.423800 -1.4266E+01 -1.0857E+01 6.2358E+00 O6 4654 15.999400 -0.847600 -6.6008E+00 6.3978E+00 9.4779E+00 H1 4655 1.008000 0.423800 -6.1324E+00 6.6432E+00 8.6291E+00 H2 4656 1.008000 0.423800 -6.7258E+00 5.4064E+00 9.5150E+00 O6 4657 15.999400 -0.847600 -1.5654E+01 1.6867E+01 -6.4051E+00 H1 4658 1.008000 0.423800 -1.5510E+01 1.6443E+01 -5.5112E+00 H2 4659 1.008000 0.423800 -1.5217E+01 1.7766E+01 -6.4216E+00 O6 4660 15.999400 -0.847600 1.2025E+01 -1.8983E+01 -5.8427E+00 H1 4661 1.008000 0.423800 1.1316E+01 -1.9464E+01 -6.3593E+00 H2 4662 1.008000 0.423800 1.2433E+01 -1.8274E+01 -6.4172E+00 O6 4663 15.999400 -0.847600 1.5767E+01 -1.4031E+01 4.3556E+00 H1 4664 1.008000 0.423800 1.4915E+01 -1.4336E+01 4.7813E+00 H2 4665 1.008000 0.423800 1.5916E+01 -1.3064E+01 4.5636E+00 O6 4666 15.999400 -0.847600 -1.0582E+01 -1.2488E+01 -7.0801E-01 H1 4667 1.008000 0.423800 -1.1147E+01 -1.3307E+01 -6.1040E-01 H2 4668 1.008000 0.423800 -9.6471E+00 -1.2753E+01 -9.4324E-01 O6 4669 15.999400 -0.847600 1.7805E+01 1.9162E+01 2.1016E+00 H1 4670 1.008000 0.423800 1.8650E+01 1.8642E+01 1.9757E+00 H2 4671 1.008000 0.423800 1.7512E+01 1.9095E+01 3.0553E+00 O6 4672 15.999400 -0.847600 1.1822E+00 2.5635E+00 1.8184E+00 H1 4673 1.008000 0.423800 2.1728E+00 2.6686E+00 1.9062E+00 H2 4674 1.008000 0.423800 9.6638E-01 2.1754E+00 9.2237E-01 O6 4675 15.999400 -0.847600 -1.6105E+01 -1.4613E+01 1.3256E+01 H1 4676 1.008000 0.423800 -1.5432E+01 -1.4262E+01 1.3907E+01 H2 4677 1.008000 0.423800 -1.5818E+01 -1.4387E+01 1.2325E+01 O6 4678 15.999400 -0.847600 -1.9051E+00 -1.9736E+00 1.7281E+01 H1 4679 1.008000 0.423800 -2.8143E+00 -2.3271E+00 1.7061E+01 H2 4680 1.008000 0.423800 -1.9235E+00 -9.7394E-01 1.7266E+01 O6 4681 15.999400 -0.847600 -1.7668E+01 1.0512E+01 -2.3176E+00 H1 4682 1.008000 0.423800 -1.7427E+01 1.1467E+01 -2.1485E+00 H2 4683 1.008000 0.423800 -1.8659E+01 1.0432E+01 -2.4282E+00 O6 4684 15.999400 -0.847600 -7.6353E-02 -6.1739E+00 7.6237E+00 H1 4685 1.008000 0.423800 -6.5634E-01 -5.5268E+00 7.1288E+00 H2 4686 1.008000 0.423800 -4.3112E-01 -6.2981E+00 8.5504E+00 O6 4687 15.999400 -0.847600 1.0705E+01 -4.7938E+00 -1.6673E-01 H1 4688 1.008000 0.423800 1.1445E+01 -4.1204E+00 -1.6994E-01 H2 4689 1.008000 0.423800 1.0866E+01 -5.4687E+00 -8.8687E-01 O6 4690 15.999400 -0.847600 -1.8457E+01 2.3306E-01 6.4797E+00 H1 4691 1.008000 0.423800 -1.8468E+01 -2.2744E-01 7.3673E+00 H2 4692 1.008000 0.423800 -1.7568E+01 6.7145E-01 6.3433E+00 O6 4693 15.999400 -0.847600 9.5575E-01 3.6446E+00 -1.6601E+01 H1 4694 1.008000 0.423800 1.8431E+00 3.3499E+00 -1.6246E+01 H2 4695 1.008000 0.423800 9.1701E-01 4.6438E+00 -1.6613E+01 O6 4696 15.999400 -0.847600 -1.7184E+01 1.7324E+01 -1.5842E+01 H1 4697 1.008000 0.423800 -1.6515E+01 1.6606E+01 -1.6030E+01 H2 4698 1.008000 0.423800 -1.6842E+01 1.8197E+01 -1.6191E+01 O6 4699 15.999400 -0.847600 -8.1766E+00 -1.6285E+01 -8.9050E+00 H1 4700 1.008000 0.423800 -9.1077E+00 -1.6645E+01 -8.8468E+00 H2 4701 1.008000 0.423800 -8.2096E+00 -1.5308E+01 -9.1186E+00 O6 4702 15.999400 -0.847600 -1.6366E+01 7.3873E+00 -1.4236E+01 H1 4703 1.008000 0.423800 -1.6024E+01 8.2941E+00 -1.4481E+01 H2 4704 1.008000 0.423800 -1.7283E+01 7.2633E+00 -1.4615E+01 O6 4705 15.999400 -0.847600 1.5093E+01 -6.8398E+00 1.3742E+01 H1 4706 1.008000 0.423800 1.5863E+01 -6.3396E+00 1.3344E+01 H2 4707 1.008000 0.423800 1.4468E+01 -7.1228E+00 1.3015E+01 O6 4708 15.999400 -0.847600 -1.4186E+01 -1.7115E+01 -4.5863E+00 H1 4709 1.008000 0.423800 -1.4031E+01 -1.6651E+01 -3.7143E+00 H2 4710 1.008000 0.423800 -1.3509E+01 -1.6804E+01 -5.2539E+00 O6 4711 15.999400 -0.847600 9.0577E+00 1.6470E+01 -2.6483E+00 H1 4712 1.008000 0.423800 8.4436E+00 1.7034E+01 -3.2003E+00 H2 4713 1.008000 0.423800 8.5626E+00 1.6117E+01 -1.8544E+00 O6 4714 15.999400 -0.847600 -1.2683E+01 7.2307E+00 8.1342E+00 H1 4715 1.008000 0.423800 -1.2835E+01 6.2615E+00 8.3282E+00 H2 4716 1.008000 0.423800 -1.3549E+01 7.6582E+00 7.8741E+00 O6 4717 15.999400 -0.847600 -1.5983E-02 -1.9145E+01 1.6035E+01 H1 4718 1.008000 0.423800 9.1155E-01 -1.9157E+01 1.5662E+01 H2 4719 1.008000 0.423800 -1.6960E-01 1.9122E+01 1.6571E+01 O6 4720 15.999400 -0.847600 -1.5362E+01 4.8703E+00 -1.0107E+01 H1 4721 1.008000 0.423800 -1.4628E+01 5.4301E+00 -9.7220E+00 H2 4722 1.008000 0.423800 -1.4966E+01 4.1078E+00 -1.0619E+01 O6 4723 15.999400 -0.847600 -1.6149E+01 1.4254E+01 8.1555E+00 H1 4724 1.008000 0.423800 -1.5371E+01 1.3649E+01 7.9896E+00 H2 4725 1.008000 0.423800 -1.5820E+01 1.5139E+01 8.4843E+00 O6 4726 15.999400 -0.847600 -1.5439E+01 -1.4960E+01 9.8021E+00 H1 4727 1.008000 0.423800 -1.6099E+01 -1.5636E+01 9.4748E+00 H2 4728 1.008000 0.423800 -1.4756E+01 -1.5412E+01 1.0376E+01 O6 4729 15.999400 -0.847600 -8.7941E+00 -9.3787E+00 1.1644E+01 H1 4730 1.008000 0.423800 -8.4542E+00 -1.0190E+01 1.1168E+01 H2 4731 1.008000 0.423800 -8.2582E+00 -8.5809E+00 1.1368E+01 O6 4732 15.999400 -0.847600 1.8560E+01 7.9949E+00 -8.7494E+00 H1 4733 1.008000 0.423800 1.9384E+01 8.1750E+00 -9.2877E+00 H2 4734 1.008000 0.423800 1.8570E+01 7.0461E+00 -8.4335E+00 O6 4735 15.999400 -0.847600 1.6189E+01 -4.5492E+00 6.7553E+00 H1 4736 1.008000 0.423800 1.6730E+01 -3.8577E+00 7.2341E+00 H2 4737 1.008000 0.423800 1.5743E+01 -5.1452E+00 7.4233E+00 O6 4738 15.999400 -0.847600 1.1904E+00 -1.5338E+01 6.6083E+00 H1 4739 1.008000 0.423800 8.2307E-01 -1.5580E+01 7.5064E+00 H2 4740 1.008000 0.423800 1.0096E+00 -1.6081E+01 5.9633E+00 O6 4741 15.999400 -0.847600 9.6574E+00 3.8451E+00 -7.5178E+00 H1 4742 1.008000 0.423800 9.9242E+00 3.0730E+00 -8.0947E+00 H2 4743 1.008000 0.423800 1.0001E+01 4.6945E+00 -7.9180E+00 O6 4744 15.999400 -0.847600 1.3940E+01 -1.0047E+01 -1.7554E+00 H1 4745 1.008000 0.423800 1.3582E+01 -1.0866E+01 -2.2038E+00 H2 4746 1.008000 0.423800 1.4648E+01 -1.0308E+01 -1.1000E+00 O6 4747 15.999400 -0.847600 1.6134E+01 1.0505E+01 7.3871E+00 H1 4748 1.008000 0.423800 1.6598E+01 9.9482E+00 8.0756E+00 H2 4749 1.008000 0.423800 1.6302E+01 1.1473E+01 7.5722E+00 O6 4750 15.999400 -0.847600 8.9849E+00 -1.5662E+01 -2.7388E+00 H1 4751 1.008000 0.423800 8.5785E+00 -1.6378E+01 -3.3060E+00 H2 4752 1.008000 0.423800 9.5339E+00 -1.5054E+01 -3.3124E+00 O6 4753 15.999400 -0.847600 1.9421E+01 -1.6492E+01 6.7381E+00 H1 4754 1.008000 0.423800 -1.9187E+01 -1.5981E+01 7.4449E+00 H2 4755 1.008000 0.423800 1.9079E+01 -1.5857E+01 6.0449E+00 O6 4756 15.999400 -0.847600 -9.7168E+00 6.0535E-01 3.9988E+00 H1 4757 1.008000 0.423800 -1.0382E+01 -8.8784E-02 3.7241E+00 H2 4758 1.008000 0.423800 -8.7918E+00 2.6742E-01 3.8251E+00 O6 4759 15.999400 -0.847600 7.4206E-02 5.7796E+00 -8.0163E+00 H1 4760 1.008000 0.423800 -6.3019E-01 6.0953E+00 -8.6521E+00 H2 4761 1.008000 0.423800 9.6970E-01 6.1000E+00 -8.3253E+00 O6 4762 15.999400 -0.847600 8.0637E+00 -1.6252E+01 1.6416E+01 H1 4763 1.008000 0.423800 8.6200E+00 -1.5582E+01 1.5924E+01 H2 4764 1.008000 0.423800 8.0858E+00 -1.7125E+01 1.5929E+01 O6 4765 15.999400 -0.847600 -5.5732E+00 1.6899E+00 -6.0074E+00 H1 4766 1.008000 0.423800 -4.7918E+00 1.9192E+00 -6.5877E+00 H2 4767 1.008000 0.423800 -6.3421E+00 2.2886E+00 -6.2319E+00 O6 4768 15.999400 -0.847600 1.5608E+01 -3.4848E+00 -3.3332E-01 H1 4769 1.008000 0.423800 1.6306E+01 -3.0918E+00 2.6542E-01 H2 4770 1.008000 0.423800 1.5402E+01 -4.4176E+00 -3.7551E-02 O6 4771 15.999400 -0.847600 1.9415E+01 1.3103E+01 1.8463E+01 H1 4772 1.008000 0.423800 1.8899E+01 1.3879E+01 1.8827E+01 H2 4773 1.008000 0.423800 1.9032E+01 1.2833E+01 1.7580E+01 O6 4774 15.999400 -0.847600 -1.1962E+01 1.2681E+01 -7.9567E-01 H1 4775 1.008000 0.423800 -1.1672E+01 1.3587E+01 -4.8974E-01 H2 4776 1.008000 0.423800 -1.1562E+01 1.1984E+01 -1.9971E-01 O6 4777 15.999400 -0.847600 8.5841E-01 -2.6298E+00 1.0648E+01 H1 4778 1.008000 0.423800 3.6424E-01 -3.1213E+00 1.1365E+01 H2 4779 1.008000 0.423800 1.7532E+00 -3.0540E+00 1.0509E+01 O6 4780 15.999400 -0.847600 -1.8588E+01 1.4107E+01 3.9092E+00 H1 4781 1.008000 0.423800 -1.8447E+01 1.3867E+01 4.8696E+00 H2 4782 1.008000 0.423800 -1.8093E+01 1.4951E+01 3.7009E+00 O6 4783 15.999400 -0.847600 9.0116E+00 -3.3493E+00 1.0551E+01 H1 4784 1.008000 0.423800 9.3989E+00 -2.9255E+00 1.1370E+01 H2 4785 1.008000 0.423800 8.0223E+00 -3.2039E+00 1.0537E+01 O6 4786 15.999400 -0.847600 3.4015E+00 -1.8040E+01 -5.8545E+00 H1 4787 1.008000 0.423800 3.2367E+00 -1.8441E+01 -4.9532E+00 H2 4788 1.008000 0.423800 2.9816E+00 -1.7134E+01 -5.8981E+00 O6 4789 15.999400 -0.847600 1.4357E+01 1.6954E+01 1.3843E+00 H1 4790 1.008000 0.423800 1.4956E+01 1.6500E+01 2.0434E+00 H2 4791 1.008000 0.423800 1.4228E+01 1.7908E+01 1.6536E+00 O6 4792 15.999400 -0.847600 7.4630E+00 6.4379E-01 1.8415E+01 H1 4793 1.008000 0.423800 6.8471E+00 -1.3284E-01 1.8282E+01 H2 4794 1.008000 0.423800 6.9664E+00 1.4954E+00 1.8247E+01 O6 4795 15.999400 -0.847600 3.8620E+00 -8.6814E+00 -1.6280E+01 H1 4796 1.008000 0.423800 3.1168E+00 -9.2015E+00 -1.6697E+01 H2 4797 1.008000 0.423800 3.7721E+00 -8.7108E+00 -1.5284E+01 O6 4798 15.999400 -0.847600 1.2260E+01 1.1056E+00 -1.6206E+01 H1 4799 1.008000 0.423800 1.1819E+01 1.2170E+00 -1.5316E+01 H2 4800 1.008000 0.423800 1.2844E+01 2.9361E-01 -1.6190E+01 O6 4801 15.999400 -0.847600 8.1850E+00 1.4255E+01 -1.9311E+01 H1 4802 1.008000 0.423800 8.3510E+00 1.4893E+01 -1.8559E+01 H2 4803 1.008000 0.423800 7.5481E+00 1.4667E+01 1.9135E+01 O6 4804 15.999400 -0.847600 1.5758E+01 -1.6482E+01 -4.6822E+00 H1 4805 1.008000 0.423800 1.5890E+01 -1.7471E+01 -4.7556E+00 H2 4806 1.008000 0.423800 1.4976E+01 -1.6208E+01 -5.2418E+00 O6 4807 15.999400 -0.847600 3.4687E+00 5.0726E-01 -1.2829E+01 H1 4808 1.008000 0.423800 2.6608E+00 8.0625E-01 -1.2321E+01 H2 4809 1.008000 0.423800 3.3259E+00 -4.2401E-01 -1.3164E+01 O6 4810 15.999400 -0.847600 -1.8142E+01 1.3029E+01 1.2711E+01 H1 4811 1.008000 0.423800 -1.8006E+01 1.3964E+01 1.2383E+01 H2 4812 1.008000 0.423800 -1.9077E+01 1.2928E+01 1.3051E+01 O6 4813 15.999400 -0.847600 -8.5447E+00 5.6272E+00 1.6428E+01 H1 4814 1.008000 0.423800 -8.1002E+00 6.4755E+00 1.6716E+01 H2 4815 1.008000 0.423800 -8.7230E+00 5.0557E+00 1.7229E+01 O6 4816 15.999400 -0.847600 1.7359E+01 1.7383E+01 -1.6935E+01 H1 4817 1.008000 0.423800 1.7052E+01 1.7757E+01 -1.7810E+01 H2 4818 1.008000 0.423800 1.7243E+01 1.8071E+01 -1.6219E+01 O6 4819 15.999400 -0.847600 -1.6615E+01 -7.7326E+00 1.6231E+01 H1 4820 1.008000 0.423800 -1.7367E+01 -7.9187E+00 1.6865E+01 H2 4821 1.008000 0.423800 -1.6026E+01 -8.5381E+00 1.6167E+01 O6 4822 15.999400 -0.847600 -1.3593E+00 1.3888E+01 2.7194E+00 H1 4823 1.008000 0.423800 -7.2692E-01 1.4660E+01 2.6534E+00 H2 4824 1.008000 0.423800 -1.6332E+00 1.3602E+01 1.8011E+00 O6 4825 15.999400 -0.847600 -1.5450E+01 -1.1220E+01 -1.9776E+00 H1 4826 1.008000 0.423800 -1.5847E+01 -1.1451E+01 -1.0893E+00 H2 4827 1.008000 0.423800 -1.5978E+01 -1.0481E+01 -2.3960E+00 O6 4828 15.999400 -0.847600 -3.7933E+00 7.8509E+00 -3.0617E+00 H1 4829 1.008000 0.423800 -3.6945E+00 7.9436E+00 -2.0709E+00 H2 4830 1.008000 0.423800 -3.1593E+00 8.4742E+00 -3.5196E+00 O6 4831 15.999400 -0.847600 1.0627E+01 -5.3546E+00 -1.4360E+01 H1 4832 1.008000 0.423800 9.7854E+00 -4.8158E+00 -1.4321E+01 H2 4833 1.008000 0.423800 1.0435E+01 -6.2936E+00 -1.4075E+01 O6 4834 15.999400 -0.847600 -1.5744E+01 -5.6755E+00 -6.7781E+00 H1 4835 1.008000 0.423800 -1.6107E+01 -5.6602E+00 -5.8463E+00 H2 4836 1.008000 0.423800 -1.6410E+01 -6.1045E+00 -7.3881E+00 O6 4837 15.999400 -0.847600 -1.7679E+01 4.1044E+00 6.8053E+00 H1 4838 1.008000 0.423800 -1.8440E+01 3.9732E+00 6.1695E+00 H2 4839 1.008000 0.423800 -1.8024E+01 4.0980E+00 7.7438E+00 O6 4840 15.999400 -0.847600 -1.1065E+01 -7.5703E+00 -5.7093E+00 H1 4841 1.008000 0.423800 -1.1024E+01 -7.6781E+00 -4.7159E+00 H2 4842 1.008000 0.423800 -1.2020E+01 -7.5610E+00 -6.0050E+00 O6 4843 15.999400 -0.847600 2.1099E+00 1.1320E+01 -1.0058E+01 H1 4844 1.008000 0.423800 2.0435E+00 1.0330E+01 -1.0176E+01 H2 4845 1.008000 0.423800 2.9645E+00 1.1647E+01 -1.0461E+01 O6 4846 15.999400 -0.847600 -2.4427E-02 1.8777E+01 1.8737E+01 H1 4847 1.008000 0.423800 7.3820E-01 1.8342E+01 1.9216E+01 H2 4848 1.008000 0.423800 -4.4142E-01 1.8122E+01 1.8108E+01 O6 4849 15.999400 -0.847600 7.4393E+00 -1.0858E+01 -1.0100E+01 H1 4850 1.008000 0.423800 7.5721E+00 -1.0103E+01 -1.0743E+01 H2 4851 1.008000 0.423800 7.9854E+00 -1.0696E+01 -9.2784E+00 O6 4852 15.999400 -0.847600 -8.7231E+00 -1.4259E+01 1.6498E+01 H1 4853 1.008000 0.423800 -7.8385E+00 -1.4690E+01 1.6676E+01 H2 4854 1.008000 0.423800 -8.9217E+00 -1.3596E+01 1.7219E+01 O6 4855 15.999400 -0.847600 -1.6501E+01 4.8883E+00 -1.2394E+00 H1 4856 1.008000 0.423800 -1.7217E+01 4.3045E+00 -8.5600E-01 H2 4857 1.008000 0.423800 -1.6839E+01 5.8270E+00 -1.3095E+00 O6 4858 15.999400 -0.847600 8.6206E+00 1.9155E+01 1.8536E+01 H1 4859 1.008000 0.423800 7.8807E+00 1.9395E+01 1.7908E+01 H2 4860 1.008000 0.423800 8.2808E+00 1.8509E+01 1.9220E+01 O6 4861 15.999400 -0.847600 1.9196E+01 -7.2324E+00 1.2432E+01 H1 4862 1.008000 0.423800 -1.9257E+01 -7.8495E+00 1.1980E+01 H2 4863 1.008000 0.423800 1.9386E+01 -7.2140E+00 1.3414E+01 O6 4864 15.999400 -0.847600 1.2811E+01 -9.3859E+00 2.1286E+00 H1 4865 1.008000 0.423800 1.2898E+01 -9.3682E+00 1.1326E+00 H2 4866 1.008000 0.423800 1.3653E+01 -9.7450E+00 2.5311E+00 O6 4867 15.999400 -0.847600 9.2455E+00 -6.9244E+00 5.1530E+00 H1 4868 1.008000 0.423800 9.7480E+00 -7.1812E+00 4.3273E+00 H2 4869 1.008000 0.423800 8.5114E+00 -6.2894E+00 4.9124E+00 O6 4870 15.999400 -0.847600 1.8418E+01 -9.6046E+00 -1.9059E+01 H1 4871 1.008000 0.423800 1.9004E+01 -1.0414E+01 -1.9025E+01 H2 4872 1.008000 0.423800 1.7647E+01 -9.7765E+00 1.9426E+01 O6 4873 15.999400 -0.847600 -1.8354E+01 1.5082E+01 9.5026E+00 H1 4874 1.008000 0.423800 -1.7486E+01 1.4685E+01 9.2055E+00 H2 4875 1.008000 0.423800 -1.8323E+01 1.5252E+01 1.0488E+01 O6 4876 15.999400 -0.847600 5.6227E-01 -1.2634E+01 -1.7087E+01 H1 4877 1.008000 0.423800 3.3774E-01 -1.3569E+01 -1.6810E+01 H2 4878 1.008000 0.423800 6.7957E-01 -1.2064E+01 -1.6274E+01 O6 4879 15.999400 -0.847600 -1.8766E+01 -8.1667E+00 1.8257E+01 H1 4880 1.008000 0.423800 -1.8216E+01 -8.5884E+00 1.8978E+01 H2 4881 1.008000 0.423800 1.9399E+01 -8.5271E+00 1.8294E+01 O6 4882 15.999400 -0.847600 1.3913E+01 2.4836E+00 8.0474E-01 H1 4883 1.008000 0.423800 1.3489E+01 3.1899E+00 1.3717E+00 H2 4884 1.008000 0.423800 1.3562E+01 1.5863E+00 1.0725E+00 O6 4885 15.999400 -0.847600 -6.7972E+00 -1.7663E+01 -1.3569E+01 H1 4886 1.008000 0.423800 -5.9176E+00 -1.7610E+01 -1.3096E+01 H2 4887 1.008000 0.423800 -6.8428E+00 -1.6949E+01 -1.4268E+01 O6 4888 15.999400 -0.847600 1.1657E+01 -8.2648E+00 -9.7195E+00 H1 4889 1.008000 0.423800 1.1861E+01 -9.0973E+00 -1.0235E+01 H2 4890 1.008000 0.423800 1.2511E+01 -7.8471E+00 -9.4103E+00 O6 4891 15.999400 -0.847600 -3.9159E+00 -9.2508E+00 -3.4273E+00 H1 4892 1.008000 0.423800 -3.1472E+00 -9.2790E+00 -4.0662E+00 H2 4893 1.008000 0.423800 -4.5410E+00 -1.0006E+01 -3.6243E+00 O6 4894 15.999400 -0.847600 9.2633E+00 -1.9301E+00 -1.7533E+01 H1 4895 1.008000 0.423800 9.4805E+00 -1.1362E+00 -1.8101E+01 H2 4896 1.008000 0.423800 8.8182E+00 -1.6256E+00 -1.6691E+01 O6 4897 15.999400 -0.847600 -1.8608E+01 1.6854E+01 -6.4207E+00 H1 4898 1.008000 0.423800 -1.7614E+01 1.6963E+01 -6.4482E+00 H2 4899 1.008000 0.423800 -1.9022E+01 1.7677E+01 -6.0319E+00 O6 4900 15.999400 -0.847600 -6.5383E+00 -1.5888E+01 1.6991E+01 H1 4901 1.008000 0.423800 -5.8008E+00 -1.5874E+01 1.6316E+01 H2 4902 1.008000 0.423800 -6.8276E+00 -1.6833E+01 1.7149E+01 O6 4903 15.999400 -0.847600 2.0285E+00 1.5525E+01 -1.7205E+01 H1 4904 1.008000 0.423800 1.7834E+00 1.4562E+01 -1.7318E+01 H2 4905 1.008000 0.423800 2.2950E+00 1.5691E+01 -1.6256E+01 O6 4906 15.999400 -0.847600 -6.5189E+00 -1.6008E+01 6.6793E-01 H1 4907 1.008000 0.423800 -7.4602E+00 -1.6306E+01 5.0972E-01 H2 4908 1.008000 0.423800 -6.1826E+00 -1.6405E+01 1.5219E+00 O6 4909 15.999400 -0.847600 -6.8669E-01 -6.4134E+00 -1.0786E+01 H1 4910 1.008000 0.423800 -8.9651E-01 -5.4861E+00 -1.0476E+01 H2 4911 1.008000 0.423800 -9.8815E-02 -6.3696E+00 -1.1594E+01 O6 4912 15.999400 -0.847600 1.2968E+01 -1.6983E+01 1.1216E+01 H1 4913 1.008000 0.423800 1.2152E+01 -1.7061E+01 1.1788E+01 H2 4914 1.008000 0.423800 1.3011E+01 -1.7762E+01 1.0590E+01 O6 4915 15.999400 -0.847600 -4.5808E+00 8.1216E+00 -7.6108E+00 H1 4916 1.008000 0.423800 -4.1511E+00 7.6446E+00 -6.8441E+00 H2 4917 1.008000 0.423800 -5.5530E+00 8.2540E+00 -7.4182E+00 O6 4918 15.999400 -0.847600 1.9904E+00 -1.1967E+01 -6.1015E+00 H1 4919 1.008000 0.423800 1.6572E+00 -1.2735E+01 -5.5547E+00 H2 4920 1.008000 0.423800 1.6209E+00 -1.1112E+01 -5.7359E+00 O6 4921 15.999400 -0.847600 1.8779E+01 -1.6505E+01 2.7040E+00 H1 4922 1.008000 0.423800 1.7939E+01 -1.6766E+01 2.2282E+00 H2 4923 1.008000 0.423800 1.8633E+01 -1.5644E+01 3.1909E+00 O6 4924 15.999400 -0.847600 1.6828E+01 -7.9976E+00 9.3850E+00 H1 4925 1.008000 0.423800 1.6988E+01 -8.6480E+00 8.6424E+00 H2 4926 1.008000 0.423800 1.7678E+01 -7.8564E+00 9.8932E+00 O6 4927 15.999400 -0.847600 -1.4226E+01 1.2480E+00 1.7347E+00 H1 4928 1.008000 0.423800 -1.4592E+01 1.9415E+00 1.1140E+00 H2 4929 1.008000 0.423800 -1.3410E+01 8.3551E-01 1.3295E+00 O6 4930 15.999400 -0.847600 5.7638E+00 2.2855E+00 1.0286E+01 H1 4931 1.008000 0.423800 6.1612E+00 1.4621E+00 9.8805E+00 H2 4932 1.008000 0.423800 6.2880E+00 2.5439E+00 1.1097E+01 O6 4933 15.999400 -0.847600 -9.1640E+00 -1.4896E+01 5.1961E+00 H1 4934 1.008000 0.423800 -1.0066E+01 -1.4625E+01 5.5329E+00 H2 4935 1.008000 0.423800 -8.6091E+00 -1.5227E+01 5.9592E+00 O6 4936 15.999400 -0.847600 -1.4758E+01 -1.6617E+01 -1.9416E+01 H1 4937 1.008000 0.423800 -1.4128E+01 -1.5867E+01 1.9479E+01 H2 4938 1.008000 0.423800 -1.4620E+01 -1.6923E+01 -1.8474E+01 O6 4939 15.999400 -0.847600 1.4318E+01 1.3235E+01 -1.5265E+01 H1 4940 1.008000 0.423800 1.4307E+01 1.3324E+01 -1.4269E+01 H2 4941 1.008000 0.423800 1.5265E+01 1.3186E+01 -1.5584E+01 O6 4942 15.999400 -0.847600 8.4038E+00 -9.9803E+00 1.4646E+01 H1 4943 1.008000 0.423800 8.6853E+00 -1.0738E+01 1.5234E+01 H2 4944 1.008000 0.423800 7.8081E+00 -9.3632E+00 1.5160E+01 O6 4945 15.999400 -0.847600 9.1544E+00 -1.4419E+01 6.6564E+00 H1 4946 1.008000 0.423800 9.1445E+00 -1.5074E+01 5.9010E+00 H2 4947 1.008000 0.423800 9.9096E+00 -1.4635E+01 7.2752E+00 O6 4948 15.999400 -0.847600 -2.6073E+00 -4.0219E+00 1.2935E+01 H1 4949 1.008000 0.423800 -2.9173E+00 -4.4756E+00 1.3771E+01 H2 4950 1.008000 0.423800 -3.0358E+00 -4.4549E+00 1.2142E+01 O6 4951 15.999400 -0.847600 1.7879E+01 -7.3526E+00 -1.7676E+01 H1 4952 1.008000 0.423800 1.8144E+01 -8.1628E+00 -1.8199E+01 H2 4953 1.008000 0.423800 1.8654E+01 -7.0415E+00 -1.7127E+01 O6 4954 15.999400 -0.847600 -1.3728E+01 -5.3188E+00 3.5947E-01 H1 4955 1.008000 0.423800 -1.3171E+01 -4.8542E+00 1.0479E+00 H2 4956 1.008000 0.423800 -1.3712E+01 -6.3044E+00 5.2742E-01 O6 4957 15.999400 -0.847600 -1.9065E+01 -1.4589E+01 1.3985E+01 H1 4958 1.008000 0.423800 -1.8070E+01 -1.4492E+01 1.4012E+01 H2 4959 1.008000 0.423800 -1.9449E+01 -1.4341E+01 1.4874E+01 O6 4960 15.999400 -0.847600 1.0341E+00 4.7743E+00 1.5758E+01 H1 4961 1.008000 0.423800 1.7957E+00 4.3382E+00 1.6238E+01 H2 4962 1.008000 0.423800 8.9122E-01 5.6932E+00 1.6126E+01 O6 4963 15.999400 -0.847600 5.3900E+00 -1.8839E+01 1.8679E+00 H1 4964 1.008000 0.423800 6.1547E+00 -1.8207E+01 1.7422E+00 H2 4965 1.008000 0.423800 5.4528E+00 1.9521E+01 1.1951E+00 O6 4966 15.999400 -0.847600 5.0008E+00 -1.7235E+01 -1.0266E+01 H1 4967 1.008000 0.423800 5.3563E+00 -1.7644E+01 -9.4258E+00 H2 4968 1.008000 0.423800 5.0652E+00 -1.7898E+01 -1.1012E+01 O6 4969 15.999400 -0.847600 1.0354E+01 1.8733E+01 -7.4425E+00 H1 4970 1.008000 0.423800 1.0752E+01 1.8983E+01 -8.3251E+00 H2 4971 1.008000 0.423800 9.6104E+00 1.9364E+01 -7.2216E+00 O6 4972 15.999400 -0.847600 1.0871E+01 -1.4979E+01 -5.7563E-01 H1 4973 1.008000 0.423800 1.0406E+01 -1.5207E+01 -1.4313E+00 H2 4974 1.008000 0.423800 1.0328E+01 -1.4310E+01 -6.9278E-02 O6 4975 15.999400 -0.847600 -1.0072E+01 7.2003E-01 -1.1506E+01 H1 4976 1.008000 0.423800 -9.3094E+00 5.8311E-01 -1.0874E+01 H2 4977 1.008000 0.423800 -9.7377E+00 1.1517E+00 -1.2343E+01 O6 4978 15.999400 -0.847600 -1.1141E+01 3.1111E+00 -1.5538E+01 H1 4979 1.008000 0.423800 -1.0619E+01 2.8326E+00 -1.6344E+01 H2 4980 1.008000 0.423800 -1.2095E+01 2.8293E+00 -1.5644E+01 O6 4981 15.999400 -0.847600 -1.2401E+01 6.4827E+00 1.6515E+01 H1 4982 1.008000 0.423800 -1.3340E+01 6.1430E+00 1.6466E+01 H2 4983 1.008000 0.423800 -1.1879E+01 5.9287E+00 1.7163E+01 O6 4984 15.999400 -0.847600 1.5426E+01 5.8863E+00 1.2338E+01 H1 4985 1.008000 0.423800 1.4913E+01 5.0669E+00 1.2593E+01 H2 4986 1.008000 0.423800 1.5853E+01 5.7470E+00 1.1444E+01 O6 4987 15.999400 -0.847600 -1.8996E+00 6.2454E+00 -9.6177E+00 H1 4988 1.008000 0.423800 -1.6219E+00 6.7498E+00 -1.0435E+01 H2 4989 1.008000 0.423800 -2.6417E+00 5.6166E+00 -9.8501E+00 O6 4990 15.999400 -0.847600 -7.4610E+00 -1.6239E+01 -6.2290E+00 H1 4991 1.008000 0.423800 -6.7172E+00 -1.6880E+01 -6.0405E+00 H2 4992 1.008000 0.423800 -7.7108E+00 -1.6293E+01 -7.1958E+00 O6 4993 15.999400 -0.847600 -1.4069E+01 -7.8960E+00 1.0115E+01 H1 4994 1.008000 0.423800 -1.3681E+01 -7.1055E+00 9.6404E+00 H2 4995 1.008000 0.423800 -1.4181E+01 -7.6804E+00 1.1085E+01 O6 4996 15.999400 -0.847600 -3.6943E+00 -1.3226E+01 3.4820E+00 H1 4997 1.008000 0.423800 -3.3124E+00 -1.3975E+01 4.0232E+00 H2 4998 1.008000 0.423800 -3.8938E+00 -1.2450E+01 4.0808E+00 O6 4999 15.999400 -0.847600 -5.3539E+00 1.9373E+01 1.8518E+01 H1 5000 1.008000 0.423800 -4.5641E+00 -1.9117E+01 1.8607E+01 H2 5001 1.008000 0.423800 -5.0479E+00 1.8470E+01 1.8216E+01 O6 5002 15.999400 -0.847600 8.7374E-01 1.4659E+01 1.3725E+01 H1 5003 1.008000 0.423800 3.9508E-01 1.5297E+01 1.3122E+01 H2 5004 1.008000 0.423800 1.1152E+00 1.3834E+01 1.3214E+01 O6 5005 15.999400 -0.847600 1.7194E+01 -1.1533E+01 4.8041E+00 H1 5006 1.008000 0.423800 1.7528E+01 -1.1423E+01 3.8679E+00 H2 5007 1.008000 0.423800 1.7948E+01 -1.1390E+01 5.4456E+00 O6 5008 15.999400 -0.847600 6.4159E+00 -1.0811E+01 5.0706E+00 H1 5009 1.008000 0.423800 6.4207E+00 -1.0997E+01 4.0880E+00 H2 5010 1.008000 0.423800 5.7460E+00 -1.1403E+01 5.5184E+00 O6 5011 15.999400 -0.847600 -1.5241E+01 -1.4326E+01 -1.0526E+01 H1 5012 1.008000 0.423800 -1.5984E+01 -1.3914E+01 -9.9985E+00 H2 5013 1.008000 0.423800 -1.5556E+01 -1.4514E+01 -1.1456E+01 O6 5014 15.999400 -0.847600 -1.1461E+01 1.1465E+01 -1.6877E+01 H1 5015 1.008000 0.423800 -1.1649E+01 1.1662E+01 -1.7839E+01 H2 5016 1.008000 0.423800 -1.1409E+01 1.2322E+01 -1.6365E+01 O6 5017 15.999400 -0.847600 2.0011E+00 -3.8028E+00 3.1900E+00 H1 5018 1.008000 0.423800 1.7696E+00 -4.6982E+00 2.8097E+00 H2 5019 1.008000 0.423800 1.5702E+00 -3.0862E+00 2.6414E+00 O6 5020 15.999400 -0.847600 -1.4313E+01 1.6009E+00 1.4981E+01 H1 5021 1.008000 0.423800 -1.3424E+01 2.0008E+00 1.5204E+01 H2 5022 1.008000 0.423800 -1.4851E+01 1.4968E+00 1.5817E+01 O6 5023 15.999400 -0.847600 1.7327E+01 -9.2472E+00 -1.2788E+01 H1 5024 1.008000 0.423800 1.7321E+01 -9.3558E+00 -1.3782E+01 H2 5025 1.008000 0.423800 1.7171E+01 -8.2868E+00 -1.2556E+01 O6 5026 15.999400 -0.847600 1.7724E+01 -1.3088E+01 -1.3965E+01 H1 5027 1.008000 0.423800 1.8184E+01 -1.3974E+01 -1.3898E+01 H2 5028 1.008000 0.423800 1.7009E+01 -1.3032E+01 -1.3268E+01 O6 5029 15.999400 -0.847600 -2.6666E+00 -8.6503E+00 7.5658E+00 H1 5030 1.008000 0.423800 -2.6340E+00 -8.9344E+00 8.5240E+00 H2 5031 1.008000 0.423800 -1.7368E+00 -8.4936E+00 7.2328E+00 O6 5032 15.999400 -0.847600 1.7655E+01 1.2600E+01 3.7199E+00 H1 5033 1.008000 0.423800 1.8527E+01 1.2430E+01 4.1778E+00 H2 5034 1.008000 0.423800 1.7823E+01 1.2859E+01 2.7686E+00 O6 5035 15.999400 -0.847600 5.7959E+00 -6.8377E+00 2.4683E-01 H1 5036 1.008000 0.423800 6.7237E+00 -7.0670E+00 5.4126E-01 H2 5037 1.008000 0.423800 5.1433E+00 -7.1243E+00 9.4816E-01 O6 5038 15.999400 -0.847600 7.3039E+00 1.9406E+01 5.4673E+00 H1 5039 1.008000 0.423800 7.5673E+00 1.9116E+01 6.3876E+00 H2 5040 1.008000 0.423800 8.0265E+00 -1.9121E+01 5.0780E+00 O6 5041 15.999400 -0.847600 4.4043E+00 4.5466E+00 -8.6329E+00 H1 5042 1.008000 0.423800 4.3352E+00 4.6713E+00 -7.6431E+00 H2 5043 1.008000 0.423800 5.3518E+00 4.6852E+00 -8.9209E+00 O6 5044 15.999400 -0.847600 5.3568E+00 6.4930E+00 1.2871E+01 H1 5045 1.008000 0.423800 6.3029E+00 6.4526E+00 1.2550E+01 H2 5046 1.008000 0.423800 4.8866E+00 5.6437E+00 1.2631E+01 O6 5047 15.999400 -0.847600 -1.9045E+01 -4.9263E+00 -1.8787E+01 H1 5048 1.008000 0.423800 -1.8128E+01 -4.5291E+00 -1.8822E+01 H2 5049 1.008000 0.423800 -1.9037E+01 -5.7323E+00 -1.8195E+01 O6 5050 15.999400 -0.847600 -7.3601E+00 1.1150E+00 1.4303E+01 H1 5051 1.008000 0.423800 -7.6671E+00 1.0420E+00 1.3354E+01 H2 5052 1.008000 0.423800 -8.1462E+00 1.0295E+00 1.4915E+01 O6 5053 15.999400 -0.847600 -1.5759E+01 -1.4908E+01 4.7344E+00 H1 5054 1.008000 0.423800 -1.6293E+01 -1.5753E+01 4.7266E+00 H2 5055 1.008000 0.423800 -1.6075E+01 -1.4306E+01 4.0010E+00 O6 5056 15.999400 -0.847600 -1.7047E+01 7.4371E+00 -1.8743E+00 H1 5057 1.008000 0.423800 -1.6106E+01 7.2315E+00 -2.1430E+00 H2 5058 1.008000 0.423800 -1.7191E+01 8.4264E+00 -1.8947E+00 O6 5059 15.999400 -0.847600 7.4420E+00 9.6322E+00 -6.8148E+00 H1 5060 1.008000 0.423800 6.6192E+00 9.6661E+00 -7.3821E+00 H2 5061 1.008000 0.423800 8.1576E+00 1.0193E+01 -7.2316E+00 O6 5062 15.999400 -0.847600 3.0039E+00 -1.7324E+01 9.1137E+00 H1 5063 1.008000 0.423800 2.6852E+00 -1.7677E+01 8.2340E+00 H2 5064 1.008000 0.423800 3.8605E+00 -1.7776E+01 9.3633E+00 O6 5065 15.999400 -0.847600 1.1973E+01 1.3618E+01 -3.4562E-02 H1 5066 1.008000 0.423800 1.1130E+01 1.3385E+01 4.5005E-01 H2 5067 1.008000 0.423800 1.1873E+01 1.4515E+01 -4.6512E-01 O6 5068 15.999400 -0.847600 -1.5219E+01 1.2722E+01 5.1025E+00 H1 5069 1.008000 0.423800 -1.5222E+01 1.1889E+01 4.5498E+00 H2 5070 1.008000 0.423800 -1.6150E+01 1.2926E+01 5.4034E+00 O6 5071 15.999400 -0.847600 -1.4611E+01 9.2157E+00 6.6870E+00 H1 5072 1.008000 0.423800 -1.4449E+01 9.7634E+00 7.5079E+00 H2 5073 1.008000 0.423800 -1.5287E+01 8.5069E+00 6.8873E+00 O6 5074 15.999400 -0.847600 8.5413E+00 -1.1847E+01 1.6642E+01 H1 5075 1.008000 0.423800 9.3178E+00 -1.2441E+01 1.6430E+01 H2 5076 1.008000 0.423800 8.5519E+00 -1.1619E+01 1.7615E+01 O6 5077 15.999400 -0.847600 1.0635E+01 -1.6555E+01 1.2628E+01 H1 5078 1.008000 0.423800 1.0132E+01 -1.7376E+01 1.2361E+01 H2 5079 1.008000 0.423800 1.0671E+01 -1.6496E+01 1.3626E+01 O6 5080 15.999400 -0.847600 -5.8858E+00 -7.2724E+00 5.0062E+00 H1 5081 1.008000 0.423800 -6.7291E+00 -6.7351E+00 5.0012E+00 H2 5082 1.008000 0.423800 -5.9675E+00 -8.0271E+00 4.3552E+00 O6 5083 15.999400 -0.847600 -1.0449E+01 -2.7705E+00 -1.7763E+01 H1 5084 1.008000 0.423800 -9.8270E+00 -3.4857E+00 -1.7443E+01 H2 5085 1.008000 0.423800 -9.9821E+00 -1.8865E+00 -1.7735E+01 O6 5086 15.999400 -0.847600 -1.0391E+01 -1.3402E+01 -7.3805E+00 H1 5087 1.008000 0.423800 -1.1232E+01 -1.3565E+01 -7.8968E+00 H2 5088 1.008000 0.423800 -1.0436E+01 -1.3888E+01 -6.5081E+00 O6 5089 15.999400 -0.847600 1.7046E+01 -9.2301E+00 -1.5709E+01 H1 5090 1.008000 0.423800 1.7058E+01 -8.5501E+00 -1.6442E+01 H2 5091 1.008000 0.423800 1.7001E+01 -1.0147E+01 -1.6106E+01 O6 5092 15.999400 -0.847600 -1.8155E+01 -1.4213E+01 8.2573E+00 H1 5093 1.008000 0.423800 -1.7269E+01 -1.4629E+01 8.4585E+00 H2 5094 1.008000 0.423800 -1.8033E+01 -1.3236E+01 8.0810E+00 O6 5095 15.999400 -0.847600 -1.3395E+00 -4.0564E+00 -1.7976E+01 H1 5096 1.008000 0.423800 -1.6707E+00 -4.5429E+00 -1.7167E+01 H2 5097 1.008000 0.423800 -3.4058E-01 -4.0949E+00 -1.8002E+01 O6 5098 15.999400 -0.847600 8.2343E+00 -1.7803E+01 -4.2744E+00 H1 5099 1.008000 0.423800 7.9326E+00 -1.8654E+01 -3.8441E+00 H2 5100 1.008000 0.423800 7.5629E+00 -1.7519E+01 -4.9591E+00 O6 5101 15.999400 -0.847600 9.3575E+00 -7.5533E+00 1.9339E+01 H1 5102 1.008000 0.423800 9.5335E+00 -7.2675E+00 1.8397E+01 H2 5103 1.008000 0.423800 8.6395E+00 -8.2492E+00 1.9348E+01 O6 5104 15.999400 -0.847600 1.4968E+01 -1.6428E+01 -1.3146E+01 H1 5105 1.008000 0.423800 1.4389E+01 -1.6257E+01 -1.3943E+01 H2 5106 1.008000 0.423800 1.4689E+01 -1.5829E+01 -1.2396E+01 O6 5107 15.999400 -0.847600 4.1363E+00 5.7407E+00 -1.4208E+01 H1 5108 1.008000 0.423800 3.8409E+00 5.3854E+00 -1.3321E+01 H2 5109 1.008000 0.423800 3.7754E+00 6.6648E+00 -1.4334E+01 O6 5110 15.999400 -0.847600 1.7942E+00 8.3376E+00 -2.4519E+00 H1 5111 1.008000 0.423800 2.2344E+00 9.2286E+00 -2.3404E+00 H2 5112 1.008000 0.423800 1.0287E+00 8.4216E+00 -3.0898E+00 O6 5113 15.999400 -0.847600 1.4088E+01 1.8441E+01 -1.8218E+01 H1 5114 1.008000 0.423800 1.4034E+01 1.8560E+01 -1.7226E+01 H2 5115 1.008000 0.423800 1.4882E+01 1.8935E+01 -1.8570E+01 O6 5116 15.999400 -0.847600 3.2330E+00 1.4019E+01 -5.3327E-01 H1 5117 1.008000 0.423800 3.9770E+00 1.4411E+01 7.8799E-03 H2 5118 1.008000 0.423800 3.5980E+00 1.3665E+01 -1.3940E+00 O6 5119 15.999400 -0.847600 7.8787E+00 -1.2994E+01 -1.1619E+01 H1 5120 1.008000 0.423800 7.6858E+00 -1.2132E+01 -1.1151E+01 H2 5121 1.008000 0.423800 7.3447E+00 -1.3041E+01 -1.2463E+01 O6 5122 15.999400 -0.847600 -2.6772E+00 1.3828E+01 -2.4163E+00 H1 5123 1.008000 0.423800 -2.4987E+00 1.3780E+01 -1.4335E+00 H2 5124 1.008000 0.423800 -3.5084E+00 1.3314E+01 -2.6292E+00 O6 5125 15.999400 -0.847600 8.0568E-01 -1.8678E+01 3.3602E+00 H1 5126 1.008000 0.423800 2.1616E-01 -1.9482E+01 3.2804E+00 H2 5127 1.008000 0.423800 1.0481E+00 -1.8351E+01 2.4470E+00 O6 5128 15.999400 -0.847600 -1.4000E+00 3.1225E+00 -8.1390E+00 H1 5129 1.008000 0.423800 -1.1959E+00 4.0155E+00 -8.5400E+00 H2 5130 1.008000 0.423800 -6.2614E-01 2.8229E+00 -7.5811E+00 O6 5131 15.999400 -0.847600 -1.9015E+00 8.2652E-01 1.7584E+01 H1 5132 1.008000 0.423800 -1.3081E+00 1.4530E+00 1.8089E+01 H2 5133 1.008000 0.423800 -2.0712E+00 1.1932E+00 1.6669E+01 O6 5134 15.999400 -0.847600 1.7533E+01 -1.5043E+01 1.3297E+01 H1 5135 1.008000 0.423800 1.7176E+01 -1.4398E+01 1.2621E+01 H2 5136 1.008000 0.423800 1.8437E+01 -1.4743E+01 1.3599E+01 O6 5137 15.999400 -0.847600 6.4657E+00 1.1116E+01 -4.0886E+00 H1 5138 1.008000 0.423800 6.2315E+00 1.1247E+01 -5.0518E+00 H2 5139 1.008000 0.423800 6.7671E+00 1.1985E+01 -3.6970E+00 O6 5140 15.999400 -0.847600 5.5049E+00 -1.0517E+01 -2.1447E+00 H1 5141 1.008000 0.423800 4.6720E+00 -1.0564E+01 -1.5932E+00 H2 5142 1.008000 0.423800 6.0313E+00 -1.1359E+01 -2.0258E+00 O6 5143 15.999400 -0.847600 2.9477E+00 -1.3475E+01 2.0651E+00 H1 5144 1.008000 0.423800 2.6092E+00 -1.4139E+01 2.7318E+00 H2 5145 1.008000 0.423800 2.7281E+00 -1.2550E+01 2.3750E+00 O6 5146 15.999400 -0.847600 -1.2896E+01 9.9478E+00 -5.9921E+00 H1 5147 1.008000 0.423800 -1.2488E+01 9.6768E+00 -5.1206E+00 H2 5148 1.008000 0.423800 -1.2215E+01 1.0429E+01 -6.5441E+00 O6 5149 15.999400 -0.847600 9.5348E+00 1.3416E+01 -1.3467E+01 H1 5150 1.008000 0.423800 1.0257E+01 1.2738E+01 -1.3604E+01 H2 5151 1.008000 0.423800 8.6492E+00 1.2955E+01 -1.3415E+01 O6 5152 15.999400 -0.847600 -1.5140E+01 1.2098E+01 9.1054E-01 H1 5153 1.008000 0.423800 -1.4940E+01 1.3055E+01 1.1192E+00 H2 5154 1.008000 0.423800 -1.4531E+01 1.1507E+01 1.4401E+00 O6 5155 15.999400 -0.847600 -1.1504E+01 1.8765E+01 -1.1257E+01 H1 5156 1.008000 0.423800 -1.2493E+01 1.8897E+01 -1.1190E+01 H2 5157 1.008000 0.423800 -1.1269E+01 1.8476E+01 -1.2185E+01 O6 5158 15.999400 -0.847600 1.8093E+01 3.2998E+00 1.9118E+01 H1 5159 1.008000 0.423800 1.8360E+01 2.8173E+00 1.8284E+01 H2 5160 1.008000 0.423800 1.8864E+01 3.8441E+00 1.9449E+01 O6 5161 15.999400 -0.847600 -4.6817E-01 1.0128E+01 1.8578E+01 H1 5162 1.008000 0.423800 -5.6594E-01 9.3780E+00 1.7923E+01 H2 5163 1.008000 0.423800 -9.1243E-01 9.8783E+00 1.9438E+01 O6 5164 15.999400 -0.847600 -1.5821E+00 -1.3191E+01 1.5309E+01 H1 5165 1.008000 0.423800 -7.6750E-01 -1.2889E+01 1.5804E+01 H2 5166 1.008000 0.423800 -2.3910E+00 -1.3048E+01 1.5879E+01 O6 5167 15.999400 -0.847600 9.9167E+00 -5.1567E+00 2.4487E+00 H1 5168 1.008000 0.423800 1.0169E+01 -4.9294E+00 1.5082E+00 H2 5169 1.008000 0.423800 1.0372E+01 -4.5264E+00 3.0776E+00 O6 5170 15.999400 -0.847600 -1.2767E+01 -1.6644E+01 1.6512E+01 H1 5171 1.008000 0.423800 -1.1887E+01 -1.6356E+01 1.6136E+01 H2 5172 1.008000 0.423800 -1.2802E+01 -1.7643E+01 1.6551E+01 O6 5173 15.999400 -0.847600 -8.9223E+00 -1.7322E+01 -1.1918E+01 H1 5174 1.008000 0.423800 -8.1566E+00 -1.7468E+01 -1.2544E+01 H2 5175 1.008000 0.423800 -8.9666E+00 -1.8077E+01 -1.1264E+01 O6 5176 15.999400 -0.847600 4.9182E+00 1.8231E+01 -1.9120E+01 H1 5177 1.008000 0.423800 4.2203E+00 1.8372E+01 1.9275E+01 H2 5178 1.008000 0.423800 4.6271E+00 1.8665E+01 -1.8268E+01 O6 5179 15.999400 -0.847600 8.8409E+00 7.7741E+00 2.6134E+00 H1 5180 1.008000 0.423800 8.2335E+00 8.5642E+00 2.5301E+00 H2 5181 1.008000 0.423800 9.7892E+00 8.0691E+00 2.4969E+00 O6 5182 15.999400 -0.847600 6.4202E+00 4.3016E+00 8.8324E+00 H1 5183 1.008000 0.423800 6.1465E+00 3.5173E+00 9.3892E+00 H2 5184 1.008000 0.423800 6.4269E+00 4.0392E+00 7.8675E+00 O6 5185 15.999400 -0.847600 -1.7272E+01 -1.2462E+01 -9.6531E+00 H1 5186 1.008000 0.423800 -1.7574E+01 -1.2388E+01 -8.7028E+00 H2 5187 1.008000 0.423800 -1.7989E+01 -1.2896E+01 -1.0198E+01 O6 5188 15.999400 -0.847600 1.7875E+01 -3.3669E+00 1.9912E+00 H1 5189 1.008000 0.423800 1.8673E+01 -3.4690E+00 1.3971E+00 H2 5190 1.008000 0.423800 1.7762E+01 -4.1937E+00 2.5423E+00 O6 5191 15.999400 -0.847600 6.6475E+00 -3.9390E+00 8.3625E+00 H1 5192 1.008000 0.423800 5.9263E+00 -4.3465E+00 7.8023E+00 H2 5193 1.008000 0.423800 6.8390E+00 -3.0129E+00 8.0373E+00 O6 5194 15.999400 -0.847600 1.3414E+01 1.1128E+01 1.1566E+01 H1 5195 1.008000 0.423800 1.3422E+01 1.1996E+01 1.1069E+01 H2 5196 1.008000 0.423800 1.2642E+01 1.1115E+01 1.2202E+01 O6 5197 15.999400 -0.847600 -9.4551E+00 8.3982E+00 -1.6184E+01 H1 5198 1.008000 0.423800 -9.6996E+00 7.7165E+00 -1.5495E+01 H2 5199 1.008000 0.423800 -9.5670E+00 9.3150E+00 -1.5801E+01 O6 5200 15.999400 -0.847600 1.2309E+01 -1.3105E+01 1.0912E+01 H1 5201 1.008000 0.423800 1.2311E+01 -1.2371E+01 1.0233E+01 H2 5202 1.008000 0.423800 1.1635E+01 -1.3797E+01 1.0654E+01 O6 5203 15.999400 -0.847600 6.2713E+00 1.4822E+01 1.7863E+01 H1 5204 1.008000 0.423800 5.2722E+00 1.4865E+01 1.7873E+01 H2 5205 1.008000 0.423800 6.5665E+00 1.4069E+01 1.7275E+01 O6 5206 15.999400 -0.847600 4.5144E+00 -9.4335E+00 1.2455E+01 H1 5207 1.008000 0.423800 4.5093E+00 -9.3890E+00 1.1456E+01 H2 5208 1.008000 0.423800 5.4575E+00 -9.3973E+00 1.2786E+01 O6 5209 15.999400 -0.847600 1.3060E+01 -1.3167E+01 -7.2908E-01 H1 5210 1.008000 0.423800 1.2253E+01 -1.3481E+01 -2.3019E-01 H2 5211 1.008000 0.423800 1.3783E+01 -1.2931E+01 -7.9043E-02 O6 5212 15.999400 -0.847600 -1.1509E+01 9.0268E+00 1.3690E+01 H1 5213 1.008000 0.423800 -1.1162E+01 8.0909E+00 1.3752E+01 H2 5214 1.008000 0.423800 -1.1222E+01 9.5427E+00 1.4498E+01 O6 5215 15.999400 -0.847600 1.7719E+01 -1.0797E+01 1.2468E+01 H1 5216 1.008000 0.423800 1.8032E+01 -1.0316E+01 1.1650E+01 H2 5217 1.008000 0.423800 1.8416E+01 -1.0729E+01 1.3182E+01 O6 5218 15.999400 -0.847600 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-4.3651E+00 1.8040E+01 H2 5235 1.008000 0.423800 -7.4186E+00 -5.6736E+00 1.9016E+01 O6 5236 15.999400 -0.847600 6.8861E+00 7.5334E+00 -1.0357E+01 H1 5237 1.008000 0.423800 7.5538E+00 8.1515E+00 -1.0772E+01 H2 5238 1.008000 0.423800 7.2449E+00 7.1889E+00 -9.4897E+00 O6 5239 15.999400 -0.847600 3.7766E+00 -6.9162E+00 1.4740E+01 H1 5240 1.008000 0.423800 4.1943E+00 -6.0919E+00 1.5122E+01 H2 5241 1.008000 0.423800 4.4941E+00 -7.5484E+00 1.4447E+01 O6 5242 15.999400 -0.847600 -1.5419E+00 -6.7148E+00 1.7992E+01 H1 5243 1.008000 0.423800 -1.9491E+00 -7.1645E+00 1.7197E+01 H2 5244 1.008000 0.423800 -1.1357E+00 -5.8452E+00 1.7711E+01 O6 5245 15.999400 -0.847600 -1.9528E+01 -1.5902E+01 -1.1301E+00 H1 5246 1.008000 0.423800 1.9015E+01 -1.6733E+01 -1.1807E+00 H2 5247 1.008000 0.423800 1.9171E+01 -1.5276E+01 -4.6023E-01 O6 5248 15.999400 -0.847600 -1.4137E+01 -1.7805E+01 1.5592E+00 H1 5249 1.008000 0.423800 -1.4131E+01 -1.6933E+01 2.0474E+00 H2 5250 1.008000 0.423800 -1.4755E+01 -1.7744E+01 7.7480E-01 O6 5251 15.999400 -0.847600 1.5911E+01 1.0749E+00 8.3791E+00 H1 5252 1.008000 0.423800 1.5593E+01 1.6575E-01 8.1108E+00 H2 5253 1.008000 0.423800 1.6032E+01 1.6400E+00 7.5630E+00 O6 5254 15.999400 -0.847600 -3.0951E+00 1.8626E+01 8.1399E+00 H1 5255 1.008000 0.423800 -3.4439E+00 1.8415E+01 9.0531E+00 H2 5256 1.008000 0.423800 -2.0953E+00 1.8616E+01 8.1545E+00 O6 5257 15.999400 -0.847600 -1.8509E+01 1.5886E+01 -1.8897E+01 H1 5258 1.008000 0.423800 -1.9078E+01 1.5623E+01 -1.8118E+01 H2 5259 1.008000 0.423800 -1.7546E+01 1.5742E+01 -1.8670E+01 O6 5260 15.999400 -0.847600 3.5963E+00 -5.6280E+00 1.1942E+01 H1 5261 1.008000 0.423800 4.5894E+00 -5.6623E+00 1.1829E+01 H2 5262 1.008000 0.423800 3.3542E+00 -5.9425E+00 1.2860E+01 O6 5263 15.999400 -0.847600 5.0347E+00 1.1840E+01 -6.7087E+00 H1 5264 1.008000 0.423800 5.5863E+00 1.2668E+01 -6.8092E+00 H2 5265 1.008000 0.423800 5.1609E+00 1.1256E+01 -7.5107E+00 O6 5266 15.999400 -0.847600 1.1123E+01 -8.6669E+00 1.6643E+01 H1 5267 1.008000 0.423800 1.1857E+01 -8.1543E+00 1.7089E+01 H2 5268 1.008000 0.423800 1.1027E+01 -9.5608E+00 1.7081E+01 O6 5269 15.999400 -0.847600 4.3888E+00 1.8357E+01 3.4190E+00 H1 5270 1.008000 0.423800 4.8263E+00 1.9075E+01 2.8782E+00 H2 5271 1.008000 0.423800 5.0845E+00 1.7720E+01 3.7529E+00 O6 5272 15.999400 -0.847600 2.6162E+00 -1.3668E+01 1.4596E+01 H1 5273 1.008000 0.423800 2.3147E+00 -1.3016E+01 1.3901E+01 H2 5274 1.008000 0.423800 1.8698E+00 -1.3838E+01 1.5239E+01 O6 5275 15.999400 -0.847600 -1.0666E+01 1.8635E+01 -1.3874E+01 H1 5276 1.008000 0.423800 -1.0762E+01 1.8268E+01 -1.4799E+01 H2 5277 1.008000 0.423800 -9.7295E+00 1.8960E+01 -1.3741E+01 O6 5278 15.999400 -0.847600 -1.4405E+01 5.9284E-01 1.8554E+01 H1 5279 1.008000 0.423800 -1.4720E+01 1.1597E+00 1.9315E+01 H2 5280 1.008000 0.423800 -1.5171E+01 5.9703E-02 1.8195E+01 O6 5281 15.999400 -0.847600 1.5018E+01 1.6896E+01 -1.3723E+01 H1 5282 1.008000 0.423800 1.5418E+01 1.7394E+01 -1.2954E+01 H2 5283 1.008000 0.423800 1.5745E+01 1.6460E+01 -1.4253E+01 O6 5284 15.999400 -0.847600 -1.5474E+01 1.7713E+00 7.3328E+00 H1 5285 1.008000 0.423800 -1.4974E+01 1.2498E+00 6.6414E+00 H2 5286 1.008000 0.423800 -1.5923E+01 2.5531E+00 6.9003E+00 O6 5287 15.999400 -0.847600 7.3920E+00 -9.3840E+00 -1.9433E+01 H1 5288 1.008000 0.423800 7.9032E+00 -1.0242E+01 -1.9378E+01 H2 5289 1.008000 0.423800 7.0206E+00 -9.1581E+00 -1.8533E+01 O6 5290 15.999400 -0.847600 3.5174E+00 -4.6153E+00 -1.8417E+01 H1 5291 1.008000 0.423800 3.0795E+00 -4.5665E+00 -1.7519E+01 H2 5292 1.008000 0.423800 4.3138E+00 -5.2179E+00 -1.8367E+01 O6 5293 15.999400 -0.847600 1.0853E+01 1.8555E+01 -7.4008E-02 H1 5294 1.008000 0.423800 1.1320E+01 1.7716E+01 -3.5502E-01 H2 5295 1.008000 0.423800 1.1529E+01 1.9273E+01 9.2980E-02 O6 5296 15.999400 -0.847600 3.6446E-01 1.4719E-01 -1.4587E+01 H1 5297 1.008000 0.423800 1.3583E+00 1.7919E-01 -1.4481E+01 H2 5298 1.008000 0.423800 -1.0604E-02 1.0694E+00 -1.4493E+01 O6 5299 15.999400 -0.847600 -7.5792E+00 8.2861E+00 -7.3960E+00 H1 5300 1.008000 0.423800 -8.1406E+00 7.4602E+00 -7.3431E+00 H2 5301 1.008000 0.423800 -8.0090E+00 9.0158E+00 -6.8642E+00 O6 5302 15.999400 -0.847600 1.7740E+00 1.0679E+01 3.1361E+00 H1 5303 1.008000 0.423800 2.6420E+00 1.0337E+01 3.4955E+00 H2 5304 1.008000 0.423800 1.2194E+00 9.9114E+00 2.8157E+00 O6 5305 15.999400 -0.847600 -7.1554E+00 1.4396E+01 -3.0027E+00 H1 5306 1.008000 0.423800 -6.6216E+00 1.5236E+01 -2.9009E+00 H2 5307 1.008000 0.423800 -8.0340E+00 1.4610E+01 -3.4297E+00 O6 5308 15.999400 -0.847600 -4.1273E+00 -1.7725E+01 -1.2266E+01 H1 5309 1.008000 0.423800 -4.1307E+00 -1.7786E+01 -1.1267E+01 H2 5310 1.008000 0.423800 -3.7905E+00 -1.8584E+01 -1.2650E+01 O6 5311 15.999400 -0.847600 -8.0879E+00 -7.4773E+00 1.9064E+01 H1 5312 1.008000 0.423800 -8.7427E+00 -8.2144E+00 1.8896E+01 H2 5313 1.008000 0.423800 -7.7834E+00 -7.5117E+00 -1.9082E+01 O6 5314 15.999400 -0.847600 1.3042E+00 -1.4543E+01 1.6917E+01 H1 5315 1.008000 0.423800 1.1699E+00 -1.5309E+01 1.7546E+01 H2 5316 1.008000 0.423800 2.0926E+00 -1.4004E+01 1.7213E+01 O6 5317 15.999400 -0.847600 -1.0963E+01 6.6113E+00 -6.8970E-01 H1 5318 1.008000 0.423800 -1.0193E+01 6.5687E+00 -1.3259E+00 H2 5319 1.008000 0.423800 -1.1812E+01 6.7404E+00 -1.2023E+00 O6 5320 15.999400 -0.847600 -1.0236E+01 -1.4071E+01 -4.0969E+00 H1 5321 1.008000 0.423800 -9.5345E+00 -1.3397E+01 -4.3282E+00 H2 5322 1.008000 0.423800 -1.0338E+01 -1.4118E+01 -3.1032E+00 O6 5323 15.999400 -0.847600 3.7482E+00 -1.8557E+00 -1.6835E-01 H1 5324 1.008000 0.423800 3.4520E+00 -1.4057E+00 6.7415E-01 H2 5325 1.008000 0.423800 4.1998E+00 -2.7192E+00 5.6088E-02 O6 5326 15.999400 -0.847600 1.8555E+01 -1.3225E+01 -2.3368E+00 H1 5327 1.008000 0.423800 1.9543E+01 -1.3130E+01 -2.2143E+00 H2 5328 1.008000 0.423800 1.8371E+01 -1.3918E+01 -3.0330E+00 O6 5329 15.999400 -0.847600 9.8583E+00 -9.6129E+00 1.2135E+01 H1 5330 1.008000 0.423800 9.6141E+00 -1.0379E+01 1.1540E+01 H2 5331 1.008000 0.423800 9.5740E+00 -9.8147E+00 1.3072E+01 O6 5332 15.999400 -0.847600 -5.6483E+00 1.3362E+01 1.4283E+01 H1 5333 1.008000 0.423800 -6.4321E+00 1.3577E+01 1.3701E+01 H2 5334 1.008000 0.423800 -5.2456E+00 1.2494E+01 1.3992E+01 O6 5335 15.999400 -0.847600 -1.8615E+01 1.5724E+00 3.5825E+00 H1 5336 1.008000 0.423800 -1.9311E+01 1.1191E+00 4.1400E+00 H2 5337 1.008000 0.423800 -1.7764E+01 1.0489E+00 3.6210E+00 O6 5338 15.999400 -0.847600 -1.2666E+01 5.1822E+00 -2.8224E+00 H1 5339 1.008000 0.423800 -1.2448E+01 5.1910E+00 -3.7984E+00 H2 5340 1.008000 0.423800 -1.2980E+01 4.2702E+00 -2.5595E+00 O6 5341 15.999400 -0.847600 -1.3841E+01 -1.2420E+01 -1.9396E+01 H1 5342 1.008000 0.423800 -1.3019E+01 -1.2965E+01 1.9532E+01 H2 5343 1.008000 0.423800 -1.3824E+01 -1.2076E+01 -1.8457E+01 O6 5344 15.999400 -0.847600 1.7931E+01 1.4876E+00 -1.0067E+01 H1 5345 1.008000 0.423800 1.8545E+01 2.2323E+00 -1.0330E+01 H2 5346 1.008000 0.423800 1.8169E+01 6.6336E-01 -1.0581E+01 O6 5347 15.999400 -0.847600 1.6594E+01 1.1466E+01 -1.6272E+01 H1 5348 1.008000 0.423800 1.6079E+01 1.1662E+01 -1.7107E+01 H2 5349 1.008000 0.423800 1.7558E+01 1.1330E+01 -1.6499E+01 O6 5350 15.999400 -0.847600 1.5605E+01 -1.7188E+01 -2.1411E+00 H1 5351 1.008000 0.423800 1.5805E+01 -1.6921E+01 -3.0839E+00 H2 5352 1.008000 0.423800 1.4695E+01 -1.6861E+01 -1.8882E+00 O6 5353 15.999400 -0.847600 1.6694E+01 -8.1897E+00 1.3542E+00 H1 5354 1.008000 0.423800 1.6586E+01 -7.9875E+00 2.3276E+00 H2 5355 1.008000 0.423800 1.6297E+01 -9.0853E+00 1.1539E+00 O6 5356 15.999400 -0.847600 1.3304E+01 1.8292E+01 4.4663E+00 H1 5357 1.008000 0.423800 1.3156E+01 1.7396E+01 4.0474E+00 H2 5358 1.008000 0.423800 1.4267E+01 1.8387E+01 4.7178E+00 O6 5359 15.999400 -0.847600 6.8020E+00 1.5027E+01 1.1767E+01 H1 5360 1.008000 0.423800 6.7777E+00 1.4095E+01 1.1406E+01 H2 5361 1.008000 0.423800 6.5746E+00 1.5674E+01 1.1039E+01 O6 5362 15.999400 -0.847600 1.6273E+01 1.3433E+01 8.3238E+00 H1 5363 1.008000 0.423800 1.7271E+01 1.3423E+01 8.2562E+00 H2 5364 1.008000 0.423800 1.5894E+01 1.3981E+01 7.5782E+00 O6 5365 15.999400 -0.847600 -1.8099E+01 -3.2745E+00 2.5880E+00 H1 5366 1.008000 0.423800 -1.8235E+01 -2.9925E+00 1.6384E+00 H2 5367 1.008000 0.423800 -1.8860E+01 -3.8550E+00 2.8763E+00 O6 5368 15.999400 -0.847600 1.5933E+01 -1.9238E+01 -4.7432E+00 H1 5369 1.008000 0.423800 1.6110E+01 1.9326E+01 -5.5704E+00 H2 5370 1.008000 0.423800 1.5265E+01 1.9380E+01 -4.1740E+00 O6 5371 15.999400 -0.847600 -1.0656E+01 -8.4269E-01 -4.7660E+00 H1 5372 1.008000 0.423800 -1.1342E+01 -1.5363E+00 -4.9860E+00 H2 5373 1.008000 0.423800 -9.8460E+00 -1.2853E+00 -4.3810E+00 O6 5374 15.999400 -0.847600 1.1433E+01 -5.6455E+00 1.8574E+01 H1 5375 1.008000 0.423800 1.2279E+01 -6.1593E+00 1.8432E+01 H2 5376 1.008000 0.423800 1.1628E+01 -4.8235E+00 1.9109E+01 O6 5377 15.999400 -0.847600 1.2535E+01 1.5465E+01 1.5362E+01 H1 5378 1.008000 0.423800 1.1666E+01 1.5457E+01 1.4868E+01 H2 5379 1.008000 0.423800 1.2717E+01 1.4554E+01 1.5732E+01 O6 5380 15.999400 -0.847600 1.1442E+01 1.0702E+01 1.8415E+01 H1 5381 1.008000 0.423800 1.0621E+01 1.1272E+01 1.8424E+01 H2 5382 1.008000 0.423800 1.1451E+01 1.0117E+01 1.9226E+01 O6 5383 15.999400 -0.847600 1.4986E+01 1.1708E+01 -8.5873E+00 H1 5384 1.008000 0.423800 1.5745E+01 1.2068E+01 -9.1290E+00 H2 5385 1.008000 0.423800 1.5049E+01 1.2056E+01 -7.6520E+00 O6 5386 15.999400 -0.847600 -1.2821E+01 -1.5407E+00 -1.7585E+01 H1 5387 1.008000 0.423800 -1.2963E+01 -6.5347E-01 -1.8023E+01 H2 5388 1.008000 0.423800 -1.1865E+01 -1.8160E+00 -1.7692E+01 O6 5389 15.999400 -0.847600 -1.2164E+01 1.2674E+01 1.9286E+01 H1 5390 1.008000 0.423800 -1.1720E+01 1.3460E+01 -1.9381E+01 H2 5391 1.008000 0.423800 -1.1570E+01 1.1873E+01 1.9361E+01 O6 5392 15.999400 -0.847600 -1.7072E+01 -1.0979E+00 -8.8639E+00 H1 5393 1.008000 0.423800 -1.6094E+01 -1.2945E+00 -8.8008E+00 H2 5394 1.008000 0.423800 -1.7325E+01 -4.3652E-01 -8.1579E+00 O6 5395 15.999400 -0.847600 -4.9105E+00 1.1673E+01 4.8300E+00 H1 5396 1.008000 0.423800 -4.9963E+00 1.2369E+01 5.5438E+00 H2 5397 1.008000 0.423800 -5.3159E+00 1.0817E+01 5.1487E+00 O6 5398 15.999400 -0.847600 1.2691E+01 -1.7542E+01 1.9304E+01 H1 5399 1.008000 0.423800 1.1691E+01 -1.7522E+01 1.9290E+01 H2 5400 1.008000 0.423800 1.3022E+01 -1.8159E+01 1.8590E+01 O6 5401 15.999400 -0.847600 4.6728E+00 7.4715E-01 -1.0360E+01 H1 5402 1.008000 0.423800 4.4592E+00 5.1409E-01 -1.1309E+01 H2 5403 1.008000 0.423800 4.1068E+00 1.5192E+00 -1.0071E+01 O6 5404 15.999400 -0.847600 -2.2787E+00 9.1798E+00 1.3501E+01 H1 5405 1.008000 0.423800 -1.4966E+00 9.7036E+00 1.3839E+01 H2 5406 1.008000 0.423800 -2.1758E+00 9.0232E+00 1.2519E+01 O6 5407 15.999400 -0.847600 -1.5836E+00 -1.2196E+01 1.2771E+01 H1 5408 1.008000 0.423800 -6.2192E-01 -1.1977E+01 1.2606E+01 H2 5409 1.008000 0.423800 -1.7136E+00 -1.2420E+01 1.3737E+01 O6 5410 15.999400 -0.847600 1.6192E+01 2.4734E+00 -8.2758E+00 H1 5411 1.008000 0.423800 1.6789E+01 1.9772E+00 -8.9065E+00 H2 5412 1.008000 0.423800 1.6675E+01 2.6297E+00 -7.4139E+00 O6 5413 15.999400 -0.847600 5.0925E+00 1.7077E+01 -2.7509E+00 H1 5414 1.008000 0.423800 4.4765E+00 1.7823E+01 -2.4986E+00 H2 5415 1.008000 0.423800 4.6565E+00 1.6505E+01 -3.4461E+00 O6 5416 15.999400 -0.847600 -9.2986E+00 1.0651E+01 -9.5425E-01 H1 5417 1.008000 0.423800 -8.8332E+00 1.1535E+01 -9.0694E-01 H2 5418 1.008000 0.423800 -1.0094E+01 1.0661E+01 -3.4891E-01 O6 5419 15.999400 -0.847600 1.4942E+01 8.7915E+00 -1.5122E+01 H1 5420 1.008000 0.423800 1.5820E+01 8.8344E+00 -1.5598E+01 H2 5421 1.008000 0.423800 1.4272E+01 9.3553E+00 -1.5605E+01 O6 5422 15.999400 -0.847600 6.2238E+00 9.0567E+00 -1.6022E+01 H1 5423 1.008000 0.423800 6.4866E+00 1.0006E+01 -1.6193E+01 H2 5424 1.008000 0.423800 6.9648E+00 8.4492E+00 -1.6308E+01 O6 5425 15.999400 -0.847600 -7.7878E+00 -1.5782E+01 7.1968E+00 H1 5426 1.008000 0.423800 -7.4045E+00 -1.5481E+01 8.0701E+00 H2 5427 1.008000 0.423800 -7.0610E+00 -1.5826E+01 6.5114E+00 O6 5428 15.999400 -0.847600 1.5707E+01 -1.2389E+01 -4.5254E+00 H1 5429 1.008000 0.423800 1.6468E+01 -1.3036E+01 -4.5686E+00 H2 5430 1.008000 0.423800 1.6051E+01 -1.1460E+01 -4.6625E+00 O6 5431 15.999400 -0.847600 1.8002E+01 1.8388E+01 -2.8820E+00 H1 5432 1.008000 0.423800 1.7551E+01 1.8504E+01 -1.9970E+00 H2 5433 1.008000 0.423800 1.7545E+01 1.8956E+01 -3.5660E+00 O6 5434 15.999400 -0.847600 -1.6055E+01 1.6941E+01 1.8529E+01 H1 5435 1.008000 0.423800 -1.6649E+01 1.6534E+01 1.7834E+01 H2 5436 1.008000 0.423800 -1.5725E+01 1.6225E+01 1.9145E+01 O6 5437 15.999400 -0.847600 -6.7992E-01 2.1065E+00 -1.7934E+01 H1 5438 1.008000 0.423800 -7.7319E-01 1.1874E+00 -1.7551E+01 H2 5439 1.008000 0.423800 1.6391E-02 2.6110E+00 -1.7423E+01 O6 5440 15.999400 -0.847600 -1.6926E+01 9.9452E+00 1.5594E+01 H1 5441 1.008000 0.423800 -1.7866E+01 9.9721E+00 1.5933E+01 H2 5442 1.008000 0.423800 -1.6456E+01 9.1502E+00 1.5978E+01 O6 5443 15.999400 -0.847600 -9.2090E+00 1.6596E+01 -9.5452E+00 H1 5444 1.008000 0.423800 -9.6210E+00 1.7450E+01 -9.8639E+00 H2 5445 1.008000 0.423800 -9.2586E+00 1.6554E+01 -8.5473E+00 O6 5446 15.999400 -0.847600 7.5262E+00 -6.6796E+00 -1.5262E+01 H1 5447 1.008000 0.423800 7.3534E+00 -5.7522E+00 -1.5594E+01 H2 5448 1.008000 0.423800 7.1781E+00 -7.3413E+00 -1.5926E+01 O6 5449 15.999400 -0.847600 1.1748E+01 2.0345E+00 1.4562E+01 H1 5450 1.008000 0.423800 1.1783E+01 2.1273E+00 1.5557E+01 H2 5451 1.008000 0.423800 1.2114E+01 1.1425E+00 1.4297E+01 O6 5452 15.999400 -0.847600 -1.6613E+01 9.1725E+00 1.1693E+01 H1 5453 1.008000 0.423800 -1.6007E+01 9.2562E+00 1.0901E+01 H2 5454 1.008000 0.423800 -1.6441E+01 9.9274E+00 1.2325E+01 O6 5455 15.999400 -0.847600 1.7081E+00 1.0762E+01 9.1229E+00 H1 5456 1.008000 0.423800 1.1548E+00 1.1340E+01 9.7229E+00 H2 5457 1.008000 0.423800 1.3661E+00 9.8231E+00 9.1567E+00 O6 5458 15.999400 -0.847600 -1.2634E+01 -1.9376E+01 1.7236E+01 H1 5459 1.008000 0.423800 -1.1770E+01 -1.9295E+01 1.7731E+01 H2 5460 1.008000 0.423800 -1.2858E+01 1.8754E+01 1.7112E+01 O6 5461 15.999400 -0.847600 -6.9640E+00 -1.0898E+01 -1.1815E+01 H1 5462 1.008000 0.423800 -7.4300E+00 -1.0435E+01 -1.2569E+01 H2 5463 1.008000 0.423800 -7.2577E+00 -1.0498E+01 -1.0947E+01 O6 5464 15.999400 -0.847600 -1.5656E+01 -5.2368E+00 2.3190E+00 H1 5465 1.008000 0.423800 -1.5096E+01 -4.9885E+00 1.5290E+00 H2 5466 1.008000 0.423800 -1.6309E+01 -4.5031E+00 2.5084E+00 O6 5467 15.999400 -0.847600 -6.4916E+00 -5.9438E+00 7.7502E+00 H1 5468 1.008000 0.423800 -5.9026E+00 -5.2780E+00 8.2083E+00 H2 5469 1.008000 0.423800 -5.9749E+00 -6.4052E+00 7.0290E+00 O6 5470 15.999400 -0.847600 1.8007E+01 8.2294E-01 5.0749E+00 H1 5471 1.008000 0.423800 1.7281E+01 1.3143E+00 5.5567E+00 H2 5472 1.008000 0.423800 1.8588E+01 3.5190E-01 5.7386E+00 O6 5473 15.999400 -0.847600 -5.8368E+00 -1.6909E+01 3.2530E+00 H1 5474 1.008000 0.423800 -5.5090E+00 -1.6281E+01 3.9589E+00 H2 5475 1.008000 0.423800 -5.1924E+00 -1.7667E+01 3.1562E+00 O6 5476 15.999400 -0.847600 -1.6301E+01 -1.2331E+00 1.7992E+01 H1 5477 1.008000 0.423800 -1.6253E+01 -1.7964E+00 1.7167E+01 H2 5478 1.008000 0.423800 -1.5711E+01 -1.6256E+00 1.8698E+01 O6 5479 15.999400 -0.847600 -4.2836E+00 4.9912E+00 -1.0801E+01 H1 5480 1.008000 0.423800 -4.3287E+00 5.8768E+00 -1.1263E+01 H2 5481 1.008000 0.423800 -4.3575E+00 4.2581E+00 -1.1477E+01 O6 5482 15.999400 -0.847600 7.1812E+00 4.3911E+00 -9.2725E+00 H1 5483 1.008000 0.423800 7.1290E+00 4.4854E+00 -1.0267E+01 H2 5484 1.008000 0.423800 7.6555E+00 5.1826E+00 -8.8871E+00 O6 5485 15.999400 -0.847600 -1.5774E+01 6.9514E+00 7.4685E+00 H1 5486 1.008000 0.423800 -1.5685E+01 6.1697E+00 6.8512E+00 H2 5487 1.008000 0.423800 -1.5720E+01 6.6358E+00 8.4158E+00 O6 5488 15.999400 -0.847600 8.8853E+00 1.6128E+01 8.2186E+00 H1 5489 1.008000 0.423800 9.7205E+00 1.6481E+01 7.7966E+00 H2 5490 1.008000 0.423800 8.5646E+00 1.5331E+01 7.7073E+00 O6 5491 15.999400 -0.847600 4.7140E+00 -5.1253E+00 -4.3012E+00 H1 5492 1.008000 0.423800 5.2482E+00 -5.0264E+00 -5.1408E+00 H2 5493 1.008000 0.423800 4.1085E+00 -5.9169E+00 -4.3829E+00 O6 5494 15.999400 -0.847600 1.4041E+00 -1.2791E+01 1.9400E+01 H1 5495 1.008000 0.423800 2.3237E+00 -1.3150E+01 1.9241E+01 H2 5496 1.008000 0.423800 1.2145E+00 -1.2784E+01 -1.8716E+01 O6 5497 15.999400 -0.847600 -3.9903E+00 -1.7999E+00 -4.6871E+00 H1 5498 1.008000 0.423800 -3.7937E+00 -2.6914E+00 -5.0953E+00 H2 5499 1.008000 0.423800 -3.1797E+00 -1.2179E+00 -4.7515E+00 O6 5500 15.999400 -0.847600 1.0216E+01 -1.8432E+01 8.1391E+00 H1 5501 1.008000 0.423800 1.0530E+01 -1.8753E+01 7.2457E+00 H2 5502 1.008000 0.423800 1.0583E+01 -1.7518E+01 8.3121E+00 O6 5503 15.999400 -0.847600 -4.2422E+00 1.5427E+01 1.3633E+01 H1 5504 1.008000 0.423800 -4.2220E+00 1.5260E+01 1.2647E+01 H2 5505 1.008000 0.423800 -4.9084E+00 1.4817E+01 1.4061E+01 O6 5506 15.999400 -0.847600 5.5600E+00 -1.4987E+01 1.2337E+01 H1 5507 1.008000 0.423800 6.0691E+00 -1.4135E+01 1.2218E+01 H2 5508 1.008000 0.423800 5.4964E+00 -1.5204E+01 1.3311E+01 O6 5509 15.999400 -0.847600 -1.8290E+01 -1.9169E+01 -2.1269E+00 H1 5510 1.008000 0.423800 -1.9290E+01 -1.9164E+01 -2.1203E+00 H2 5511 1.008000 0.423800 -1.7949E+01 -1.8791E+01 -1.2662E+00 O6 5512 15.999400 -0.847600 -6.3089E+00 -1.3735E+01 -1.1973E+01 H1 5513 1.008000 0.423800 -6.6808E+00 -1.4150E+01 -1.1142E+01 H2 5514 1.008000 0.423800 -6.4927E+00 -1.2752E+01 -1.1965E+01 O6 5515 15.999400 -0.847600 4.5352E-02 4.2631E+00 -3.1959E+00 H1 5516 1.008000 0.423800 5.1818E-01 4.6563E+00 -3.9845E+00 H2 5517 1.008000 0.423800 4.4156E-01 4.6284E+00 -2.3536E+00 O6 5518 15.999400 -0.847600 7.4219E+00 -1.5663E+01 -1.1411E+01 H1 5519 1.008000 0.423800 6.5879E+00 -1.5798E+01 -1.0876E+01 H2 5520 1.008000 0.423800 7.7554E+00 -1.4730E+01 -1.1279E+01 O6 5521 15.999400 -0.847600 7.3005E+00 1.2230E+01 1.1078E+01 H1 5522 1.008000 0.423800 6.6808E+00 1.1936E+01 1.0350E+01 H2 5523 1.008000 0.423800 7.9720E+00 1.1510E+01 1.1254E+01 O6 5524 15.999400 -0.847600 -5.1445E+00 -1.0335E+01 -1.5476E+01 H1 5525 1.008000 0.423800 -4.4092E+00 -1.0852E+01 -1.5915E+01 H2 5526 1.008000 0.423800 -5.9568E+00 -1.0913E+01 -1.5397E+01 O6 5527 15.999400 -0.847600 -2.3707E+00 1.2544E+01 1.8484E+01 H1 5528 1.008000 0.423800 -2.4684E+00 1.2990E+01 1.7594E+01 H2 5529 1.008000 0.423800 -1.4795E+00 1.2093E+01 1.8534E+01 O6 5530 15.999400 -0.847600 -1.7885E+01 3.6764E+00 -1.6398E+01 H1 5531 1.008000 0.423800 -1.7450E+01 3.3388E+00 -1.5563E+01 H2 5532 1.008000 0.423800 -1.7277E+01 4.3302E+00 -1.6849E+01 O6 5533 15.999400 -0.847600 7.1063E+00 -1.6348E+01 1.6291E+00 H1 5534 1.008000 0.423800 6.5433E+00 -1.5568E+01 1.3544E+00 H2 5535 1.008000 0.423800 7.7387E+00 -1.6579E+01 8.8976E-01 O6 5536 15.999400 -0.847600 -5.2623E+00 -1.9428E+01 1.4527E+00 H1 5537 1.008000 0.423800 -4.4117E+00 -1.8926E+01 1.6090E+00 H2 5538 1.008000 0.423800 -5.0907E+00 1.8688E+01 1.5398E+00 O6 5539 15.999400 -0.847600 -3.6103E+00 3.0675E+00 -1.3548E+00 H1 5540 1.008000 0.423800 -3.9213E+00 3.9129E+00 -1.7891E+00 H2 5541 1.008000 0.423800 -4.3648E+00 2.6597E+00 -8.4074E-01 O6 5542 15.999400 -0.847600 1.3095E+01 -2.2325E+00 1.8300E+01 H1 5543 1.008000 0.423800 1.3119E+01 -2.2275E+00 1.7300E+01 H2 5544 1.008000 0.423800 1.3963E+01 -2.5838E+00 1.8652E+01 O6 5545 15.999400 -0.847600 -1.4630E+01 6.3834E+00 1.2155E+01 H1 5546 1.008000 0.423800 -1.4195E+01 5.9729E+00 1.2957E+01 H2 5547 1.008000 0.423800 -1.3968E+01 6.9573E+00 1.1674E+01 O6 5548 15.999400 -0.847600 1.0119E+01 -1.5409E+01 1.8289E+01 H1 5549 1.008000 0.423800 1.0217E+01 -1.5632E+01 1.7319E+01 H2 5550 1.008000 0.423800 1.0196E+01 -1.6245E+01 1.8832E+01 O6 5551 15.999400 -0.847600 5.7213E+00 8.3817E+00 -1.8872E+01 H1 5552 1.008000 0.423800 6.0285E+00 8.5233E+00 -1.7931E+01 H2 5553 1.008000 0.423800 6.4164E+00 8.7233E+00 -1.9504E+01 O6 5554 15.999400 -0.847600 7.1467E+00 7.3376E+00 -5.1233E+00 H1 5555 1.008000 0.423800 6.6016E+00 7.4060E+00 -4.2877E+00 H2 5556 1.008000 0.423800 7.3104E+00 8.2533E+00 -5.4902E+00 O6 5557 15.999400 -0.847600 -1.1406E+01 1.8546E+01 -5.5007E+00 H1 5558 1.008000 0.423800 -1.1636E+01 1.8490E+01 -6.4724E+00 H2 5559 1.008000 0.423800 -1.2131E+01 1.8118E+01 -4.9616E+00 O6 5560 15.999400 -0.847600 1.3176E+00 1.5390E+01 -1.3014E+01 H1 5561 1.008000 0.423800 2.1747E+00 1.5835E+01 -1.2754E+01 H2 5562 1.008000 0.423800 1.0357E+00 1.4760E+01 -1.2290E+01 O6 5563 15.999400 -0.847600 -1.2477E+01 1.5315E+01 -3.6290E+00 H1 5564 1.008000 0.423800 -1.3053E+01 1.4782E+01 -3.0092E+00 H2 5565 1.008000 0.423800 -1.2946E+01 1.6164E+01 -3.8726E+00 O6 5566 15.999400 -0.847600 1.1665E+00 -1.5483E+01 -1.7158E+01 H1 5567 1.008000 0.423800 1.9913E+00 -1.5260E+01 -1.7678E+01 H2 5568 1.008000 0.423800 4.2157E-01 -1.5696E+01 -1.7790E+01 O6 5569 15.999400 -0.847600 1.3612E+01 2.2814E+00 6.2379E+00 H1 5570 1.008000 0.423800 1.4216E+01 3.0143E+00 6.5512E+00 H2 5571 1.008000 0.423800 1.3998E+01 1.8596E+00 5.4174E+00 O6 5572 15.999400 -0.847600 4.6922E+00 -1.4843E+01 -3.8223E+00 H1 5573 1.008000 0.423800 5.4505E+00 -1.5262E+01 -3.3223E+00 H2 5574 1.008000 0.423800 5.0052E+00 -1.3999E+01 -4.2567E+00 O6 5575 15.999400 -0.847600 -1.5923E+01 -1.7319E+01 1.4265E+01 H1 5576 1.008000 0.423800 -1.6403E+01 -1.7260E+01 1.5140E+01 H2 5577 1.008000 0.423800 -1.5739E+01 -1.6398E+01 1.3923E+01 O6 5578 15.999400 -0.847600 -1.7274E+01 -1.0479E+01 -5.1237E+00 H1 5579 1.008000 0.423800 -1.7607E+01 -1.1171E+01 -5.7642E+00 H2 5580 1.008000 0.423800 -1.6274E+01 -1.0491E+01 -5.1102E+00 O6 5581 15.999400 -0.847600 7.3363E+00 1.2280E+00 4.9637E+00 H1 5582 1.008000 0.423800 7.2148E+00 2.4660E-01 4.8150E+00 H2 5583 1.008000 0.423800 8.1855E+00 1.5283E+00 4.5294E+00 O6 5584 15.999400 -0.847600 -1.6775E+01 -3.6684E+00 -9.3040E-01 H1 5585 1.008000 0.423800 -1.6175E+01 -3.9483E+00 -1.6795E+00 H2 5586 1.008000 0.423800 -1.6343E+01 -2.9282E+00 -4.1552E-01 O6 5587 15.999400 -0.847600 -1.7712E+00 3.0985E+00 -4.7739E+00 H1 5588 1.008000 0.423800 -1.2212E+00 3.5073E+00 -4.0455E+00 H2 5589 1.008000 0.423800 -1.3174E+00 3.2402E+00 -5.6536E+00 O6 5590 15.999400 -0.847600 3.0543E-01 -1.0959E+01 -1.5006E+01 H1 5591 1.008000 0.423800 8.9695E-01 -1.0153E+01 -1.4999E+01 H2 5592 1.008000 0.423800 -6.2253E-01 -1.0694E+01 -1.4744E+01 O6 5593 15.999400 -0.847600 -6.8102E+00 1.2427E+01 1.5412E+00 H1 5594 1.008000 0.423800 -6.3998E+00 1.3257E+01 1.9185E+00 H2 5595 1.008000 0.423800 -7.3689E+00 1.2663E+01 7.4613E-01 O6 5596 15.999400 -0.847600 -1.1636E+01 -1.4978E+01 -1.3710E+00 H1 5597 1.008000 0.423800 -1.1606E+01 -1.5761E+01 -7.4995E-01 H2 5598 1.008000 0.423800 -1.2079E+01 -1.5247E+01 -2.2263E+00 O6 5599 15.999400 -0.847600 1.3995E+01 -5.6182E+00 1.5826E+01 H1 5600 1.008000 0.423800 1.4389E+01 -5.9789E+00 1.4980E+01 H2 5601 1.008000 0.423800 1.4042E+01 -6.3169E+00 1.6540E+01 O6 5602 15.999400 -0.847600 -3.2328E+00 1.5810E+01 1.1030E+01 H1 5603 1.008000 0.423800 -2.4721E+00 1.5976E+01 1.1658E+01 H2 5604 1.008000 0.423800 -3.9006E+00 1.6549E+01 1.1112E+01 O6 5605 15.999400 -0.847600 5.6719E+00 -6.3301E+00 -1.8503E+01 H1 5606 1.008000 0.423800 5.7245E+00 -7.1383E+00 -1.7917E+01 H2 5607 1.008000 0.423800 5.6760E+00 -6.6136E+00 -1.9462E+01 O6 5608 15.999400 -0.847600 -4.1831E+00 -1.4525E+00 1.2990E+01 H1 5609 1.008000 0.423800 -3.6803E+00 -2.3138E+00 1.3065E+01 H2 5610 1.008000 0.423800 -4.9694E+00 -1.5770E+00 1.2385E+01 O6 5611 15.999400 -0.847600 4.3130E+00 1.0512E+01 1.8362E+01 H1 5612 1.008000 0.423800 5.2665E+00 1.0211E+01 1.8343E+01 H2 5613 1.008000 0.423800 3.9883E+00 1.0531E+01 1.9307E+01 O6 5614 15.999400 -0.847600 1.9454E+01 -3.5477E+00 -7.1334E-01 H1 5615 1.008000 0.423800 1.9266E+01 -2.5665E+00 -7.5775E-01 H2 5616 1.008000 0.423800 -1.8711E+01 -3.7227E+00 -1.0285E+00 O6 5617 15.999400 -0.847600 9.8645E-01 5.1858E+00 -5.4842E+00 H1 5618 1.008000 0.423800 1.9391E+00 4.8825E+00 -5.5071E+00 H2 5619 1.008000 0.423800 7.0836E-01 5.4802E+00 -6.3985E+00 O6 5620 15.999400 -0.847600 1.2518E+01 -5.4913E+00 -1.7367E+01 H1 5621 1.008000 0.423800 1.1718E+01 -5.8489E+00 -1.6886E+01 H2 5622 1.008000 0.423800 1.2289E+01 -4.6133E+00 -1.7788E+01 O6 5623 15.999400 -0.847600 9.9749E-01 1.4787E+01 -2.1474E+00 H1 5624 1.008000 0.423800 5.9354E-01 1.3908E+01 -2.4023E+00 H2 5625 1.008000 0.423800 1.6473E+00 1.4651E+01 -1.3997E+00 O6 5626 15.999400 -0.847600 1.2167E+01 1.7618E+01 -1.0060E+01 H1 5627 1.008000 0.423800 1.3092E+01 1.7986E+01 -1.0157E+01 H2 5628 1.008000 0.423800 1.1504E+01 1.8292E+01 -1.0384E+01 O6 5629 15.999400 -0.847600 3.8322E+00 -1.5288E+01 -1.8371E+01 H1 5630 1.008000 0.423800 4.2982E+00 -1.4815E+01 -1.7623E+01 H2 5631 1.008000 0.423800 3.8492E+00 -1.4715E+01 -1.9190E+01 O6 5632 15.999400 -0.847600 6.0931E+00 5.5807E+00 1.5689E+01 H1 5633 1.008000 0.423800 6.3622E+00 6.5439E+00 1.5696E+01 H2 5634 1.008000 0.423800 5.5554E+00 5.3905E+00 1.4868E+01 O6 5635 15.999400 -0.847600 1.5264E+01 -1.9103E+01 -1.3093E+01 H1 5636 1.008000 0.423800 1.5118E+01 -1.8124E+01 -1.2952E+01 H2 5637 1.008000 0.423800 1.5984E+01 -1.9237E+01 -1.3774E+01 O6 5638 15.999400 -0.847600 -2.9588E+00 -8.3399E+00 -1.1055E+01 H1 5639 1.008000 0.423800 -3.8265E+00 -8.8369E+00 -1.1045E+01 H2 5640 1.008000 0.423800 -2.3678E+00 -8.6872E+00 -1.0327E+01 O6 5641 15.999400 -0.847600 7.5926E+00 1.3863E+01 7.2574E+00 H1 5642 1.008000 0.423800 8.1971E+00 1.3379E+01 7.8902E+00 H2 5643 1.008000 0.423800 6.6509E+00 1.3556E+01 7.3960E+00 O6 5644 15.999400 -0.847600 1.4996E+01 1.9221E+01 8.6370E+00 H1 5645 1.008000 0.423800 1.5503E+01 -1.9091E+01 8.2811E+00 H2 5646 1.008000 0.423800 1.4076E+01 1.9511E+01 8.9007E+00 O6 5647 15.999400 -0.847600 6.2984E+00 -1.9184E+01 1.6803E+01 H1 5648 1.008000 0.423800 5.6793E+00 -1.8656E+01 1.7384E+01 H2 5649 1.008000 0.423800 5.9464E+00 1.8984E+01 1.6700E+01 O6 5650 15.999400 -0.847600 -6.2633E+00 -9.3913E+00 1.6359E+01 H1 5651 1.008000 0.423800 -7.1121E+00 -8.9165E+00 1.6127E+01 H2 5652 1.008000 0.423800 -6.4684E+00 -1.0338E+01 1.6608E+01 O6 5653 15.999400 -0.847600 -1.3064E+01 7.1264E+00 -6.4730E+00 H1 5654 1.008000 0.423800 -1.3883E+01 7.3740E+00 -5.9569E+00 H2 5655 1.008000 0.423800 -1.2515E+01 7.9454E+00 -6.6398E+00 O6 5656 15.999400 -0.847600 1.8394E+01 -1.4713E+01 5.0699E+00 H1 5657 1.008000 0.423800 1.7452E+01 -1.4377E+01 5.0803E+00 H2 5658 1.008000 0.423800 1.9020E+01 -1.3944E+01 4.9419E+00 O6 5659 15.999400 -0.847600 -1.4847E+01 1.2990E+01 1.8985E+01 H1 5660 1.008000 0.423800 -1.5049E+01 1.2756E+01 1.8034E+01 H2 5661 1.008000 0.423800 -1.3873E+01 1.2847E+01 1.9163E+01 O6 5662 15.999400 -0.847600 9.2450E+00 -9.7781E+00 5.5520E+00 H1 5663 1.008000 0.423800 9.4116E+00 -8.7932E+00 5.5986E+00 H2 5664 1.008000 0.423800 8.2601E+00 -9.9484E+00 5.5199E+00 O6 5665 15.999400 -0.847600 7.3631E+00 8.4181E-01 8.2614E+00 H1 5666 1.008000 0.423800 8.2817E+00 1.1118E+00 8.5500E+00 H2 5667 1.008000 0.423800 7.4245E+00 5.5677E-02 7.6465E+00 O6 5668 15.999400 -0.847600 1.6158E+01 1.1551E+00 1.6826E+01 H1 5669 1.008000 0.423800 1.6003E+01 1.5230E+00 1.5909E+01 H2 5670 1.008000 0.423800 1.6065E+01 1.8885E+00 1.7500E+01 O6 5671 15.999400 -0.847600 -1.6183E+00 4.6610E+00 -1.8579E+01 H1 5672 1.008000 0.423800 -1.4769E+00 3.6854E+00 -1.8411E+01 H2 5673 1.008000 0.423800 -7.4423E-01 5.0900E+00 -1.8807E+01 O6 5674 15.999400 -0.847600 3.5142E-01 1.2180E+01 6.9993E+00 H1 5675 1.008000 0.423800 3.2714E-01 1.1711E+01 6.1159E+00 H2 5676 1.008000 0.423800 6.5824E-01 1.1542E+01 7.7059E+00 O6 5677 15.999400 -0.847600 -1.2769E+01 -3.8234E+00 1.4778E+01 H1 5678 1.008000 0.423800 -1.2657E+01 -4.5505E+00 1.4100E+01 H2 5679 1.008000 0.423800 -1.3360E+01 -4.1451E+00 1.5517E+01 O6 5680 15.999400 -0.847600 -7.3841E+00 -1.1694E+01 2.5444E+00 H1 5681 1.008000 0.423800 -8.3342E+00 -1.1963E+01 2.3856E+00 H2 5682 1.008000 0.423800 -6.7887E+00 -1.2182E+01 1.9065E+00 O6 5683 15.999400 -0.847600 4.1897E+00 1.7191E+01 6.8409E+00 H1 5684 1.008000 0.423800 3.7163E+00 1.7885E+01 6.2994E+00 H2 5685 1.008000 0.423800 4.4215E+00 1.6413E+01 6.2562E+00 O6 5686 15.999400 -0.847600 4.6066E+00 -5.8632E+00 -1.3797E+01 H1 5687 1.008000 0.423800 5.3983E+00 -6.2610E+00 -1.3333E+01 H2 5688 1.008000 0.423800 4.2523E+00 -5.1002E+00 -1.3256E+01 O6 5689 15.999400 -0.847600 -5.4538E+00 1.4473E+01 9.2994E+00 H1 5690 1.008000 0.423800 -5.4540E+00 1.5003E+01 1.0147E+01 H2 5691 1.008000 0.423800 -4.5354E+00 1.4477E+01 8.9040E+00 O6 5692 15.999400 -0.847600 1.0889E+01 -1.4209E+01 -9.9513E+00 H1 5693 1.008000 0.423800 1.0766E+01 -1.3274E+01 -9.6186E+00 H2 5694 1.008000 0.423800 1.1021E+01 -1.4195E+01 -1.0942E+01 O6 5695 15.999400 -0.847600 -1.6851E+00 -1.6519E+01 -4.7860E+00 H1 5696 1.008000 0.423800 -2.0069E+00 -1.5770E+01 -4.2066E+00 H2 5697 1.008000 0.423800 -2.0610E+00 -1.7384E+01 -4.4526E+00 O6 5698 15.999400 -0.847600 -1.6765E+01 1.1659E+01 -1.6742E+01 H1 5699 1.008000 0.423800 -1.6521E+01 1.1874E+01 -1.7688E+01 H2 5700 1.008000 0.423800 -1.7384E+01 1.2361E+01 -1.6391E+01 O6 5701 15.999400 -0.847600 -7.2762E+00 9.4682E+00 1.3233E+01 H1 5702 1.008000 0.423800 -7.2366E+00 1.0209E+01 1.2563E+01 H2 5703 1.008000 0.423800 -6.7922E+00 8.6694E+00 1.2876E+01 O6 5704 15.999400 -0.847600 -7.5045E+00 9.1214E+00 -1.2494E+01 H1 5705 1.008000 0.423800 -7.8649E+00 9.4615E+00 -1.1626E+01 H2 5706 1.008000 0.423800 -6.9908E+00 8.2784E+00 -1.2335E+01 O6 5707 15.999400 -0.847600 -7.0997E+00 -4.7804E-01 -1.9168E+01 H1 5708 1.008000 0.423800 -6.4270E+00 -1.2141E+00 -1.9243E+01 H2 5709 1.008000 0.423800 -7.0416E+00 1.1030E-01 1.9124E+01 O6 5710 15.999400 -0.847600 7.7370E+00 -3.8959E-01 4.6156E-01 H1 5711 1.008000 0.423800 8.4294E+00 2.8194E-01 7.2554E-01 H2 5712 1.008000 0.423800 8.1834E+00 -1.1849E+00 5.1363E-02 O6 5713 15.999400 -0.847600 1.4556E+01 1.2707E+01 -5.9802E+00 H1 5714 1.008000 0.423800 1.4768E+01 1.2247E+01 -5.1181E+00 H2 5715 1.008000 0.423800 1.3564E+01 1.2767E+01 -6.0900E+00 O6 5716 15.999400 -0.847600 1.0073E+01 -1.4707E+01 1.0695E+01 H1 5717 1.008000 0.423800 9.2290E+00 -1.4215E+01 1.0908E+01 H2 5718 1.008000 0.423800 1.0417E+01 -1.5151E+01 1.1523E+01 O6 5719 15.999400 -0.847600 1.5457E+01 1.1955E+01 1.7038E+01 H1 5720 1.008000 0.423800 1.5590E+01 1.1116E+01 1.7566E+01 H2 5721 1.008000 0.423800 1.4818E+01 1.2554E+01 1.7519E+01 O6 5722 15.999400 -0.847600 1.1647E+01 1.0447E+01 -4.7938E-01 H1 5723 1.008000 0.423800 1.2482E+01 1.0827E+01 -8.7721E-01 H2 5724 1.008000 0.423800 1.1200E+01 9.8529E+00 -1.1479E+00 O6 5725 15.999400 -0.847600 -7.0334E+00 1.7907E+01 6.1411E+00 H1 5726 1.008000 0.423800 -6.4873E+00 1.8590E+01 6.6270E+00 H2 5727 1.008000 0.423800 -6.9230E+00 1.8033E+01 5.1551E+00 O6 5728 15.999400 -0.847600 1.4641E+01 -9.1730E+00 -1.2190E+01 H1 5729 1.008000 0.423800 1.4279E+01 -8.3437E+00 -1.2615E+01 H2 5730 1.008000 0.423800 1.5624E+01 -9.2352E+00 -1.2365E+01 O6 5731 15.999400 -0.847600 1.2765E+01 -8.0229E+00 -4.9155E-01 H1 5732 1.008000 0.423800 1.2260E+01 -7.6250E+00 -1.2580E+00 H2 5733 1.008000 0.423800 1.3350E+01 -8.7613E+00 -8.2547E-01 O6 5734 15.999400 -0.847600 1.3850E+01 -1.5048E+01 1.8174E+01 H1 5735 1.008000 0.423800 1.2908E+01 -1.5180E+01 1.8482E+01 H2 5736 1.008000 0.423800 1.3996E+01 -1.5549E+01 1.7321E+01 O6 5737 15.999400 -0.847600 -1.8400E+01 5.7128E+00 -1.0516E+01 H1 5738 1.008000 0.423800 -1.8385E+01 4.7206E+00 -1.0641E+01 H2 5739 1.008000 0.423800 -1.8021E+01 5.9419E+00 -9.6198E+00 O6 5740 15.999400 -0.847600 6.3523E+00 2.2440E+00 -4.8744E+00 H1 5741 1.008000 0.423800 6.4844E+00 2.0749E+00 -5.8511E+00 H2 5742 1.008000 0.423800 5.3860E+00 2.1292E+00 -4.6439E+00 O6 5743 15.999400 -0.847600 -1.5832E+01 1.2447E+01 1.6635E+01 H1 5744 1.008000 0.423800 -1.6181E+01 1.1589E+01 1.6258E+01 H2 5745 1.008000 0.423800 -1.6569E+01 1.3121E+01 1.6668E+01 O6 5746 15.999400 -0.847600 1.1220E+01 -8.5443E-01 -1.3775E+01 H1 5747 1.008000 0.423800 1.1175E+01 1.4281E-01 -1.3835E+01 H2 5748 1.008000 0.423800 1.1640E+01 -1.1178E+00 -1.2907E+01 O6 5749 15.999400 -0.847600 8.7408E+00 -1.7187E+01 -2.1772E-01 H1 5750 1.008000 0.423800 8.8854E+00 -1.8111E+01 -5.7113E-01 H2 5751 1.008000 0.423800 9.1286E+00 -1.6521E+01 -8.5578E-01 O6 5752 15.999400 -0.847600 1.4102E+01 -5.8868E+00 -4.7249E+00 H1 5753 1.008000 0.423800 1.4264E+01 -4.9025E+00 -4.7947E+00 H2 5754 1.008000 0.423800 1.3183E+01 -6.0487E+00 -4.3651E+00 O6 5755 15.999400 -0.847600 -5.0902E+00 -1.4208E+01 -1.4562E+01 H1 5756 1.008000 0.423800 -4.1316E+00 -1.4455E+01 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15.999400 -0.847600 -1.8175E+01 1.2661E+01 -8.7989E+00 H1 5774 1.008000 0.423800 -1.7370E+01 1.2874E+01 -8.2452E+00 H2 5775 1.008000 0.423800 -1.9002E+01 1.2847E+01 -8.2691E+00 O6 5776 15.999400 -0.847600 -1.1773E+01 -8.3964E+00 -1.7255E+01 H1 5777 1.008000 0.423800 -1.2351E+01 -7.6304E+00 -1.6972E+01 H2 5778 1.008000 0.423800 -1.1933E+01 -8.5948E+00 -1.8222E+01 O6 5779 15.999400 -0.847600 1.4223E+01 8.1127E+00 -3.7036E+00 H1 5780 1.008000 0.423800 1.4025E+01 7.6225E+00 -4.5524E+00 H2 5781 1.008000 0.423800 1.4526E+01 9.0414E+00 -3.9180E+00 O6 5782 15.999400 -0.847600 1.6391E+01 3.2132E+00 1.4434E+01 H1 5783 1.008000 0.423800 1.6273E+01 3.7706E+00 1.5256E+01 H2 5784 1.008000 0.423800 1.5518E+01 3.1440E+00 1.3950E+01 O6 5785 15.999400 -0.847600 1.3131E+01 -1.4744E+01 5.5802E+00 H1 5786 1.008000 0.423800 1.2806E+01 -1.4380E+01 6.4530E+00 H2 5787 1.008000 0.423800 1.2425E+01 -1.4621E+01 4.8836E+00 O6 5788 15.999400 -0.847600 1.0911E+01 1.1084E+01 7.2520E+00 H1 5789 1.008000 0.423800 1.0046E+01 1.1139E+01 6.7542E+00 H2 5790 1.008000 0.423800 1.1670E+01 1.1077E+01 6.6010E+00 O6 5791 15.999400 -0.847600 1.3612E+01 -7.6652E+00 1.1694E+01 H1 5792 1.008000 0.423800 1.4104E+01 -8.4314E+00 1.1281E+01 H2 5793 1.008000 0.423800 1.2738E+01 -7.9878E+00 1.2058E+01 O6 5794 15.999400 -0.847600 -1.3542E+01 -1.4368E+00 9.5016E+00 H1 5795 1.008000 0.423800 -1.3217E+01 -2.0302E+00 1.0238E+01 H2 5796 1.008000 0.423800 -1.4450E+01 -1.7346E+00 9.2097E+00 O6 5797 15.999400 -0.847600 -1.8438E+01 -9.9486E+00 4.2686E-01 H1 5798 1.008000 0.423800 -1.9092E+01 -9.2558E+00 7.3085E-01 H2 5799 1.008000 0.423800 -1.8087E+01 -9.7021E+00 -4.7662E-01 O6 5800 15.999400 -0.847600 -1.7809E+01 8.1515E-01 -1.8063E+01 H1 5801 1.008000 0.423800 -1.8743E+01 1.1402E+00 -1.7914E+01 H2 5802 1.008000 0.423800 -1.7453E+01 4.2187E-01 -1.7215E+01 O6 5803 15.999400 -0.847600 1.7327E+01 -1.8623E+00 1.1212E+01 H1 5804 1.008000 0.423800 1.6472E+01 -2.3056E+00 1.1482E+01 H2 5805 1.008000 0.423800 1.7885E+01 -1.6934E+00 1.2025E+01 O6 5806 15.999400 -0.847600 5.3398E+00 -1.2646E+01 6.5374E+00 H1 5807 1.008000 0.423800 5.1440E+00 -1.3472E+01 6.0103E+00 H2 5808 1.008000 0.423800 4.4996E+00 -1.2320E+01 6.9709E+00 O6 5809 15.999400 -0.847600 -3.0758E+00 -3.2297E+00 -8.3574E+00 H1 5810 1.008000 0.423800 -3.0498E+00 -3.5680E+00 -7.4167E+00 H2 5811 1.008000 0.423800 -3.3047E+00 -2.2563E+00 -8.3552E+00 O6 5812 15.999400 -0.847600 -5.0449E-01 -1.0591E+01 -1.1079E+01 H1 5813 1.008000 0.423800 -1.0476E+00 -1.0158E+01 -1.1798E+01 H2 5814 1.008000 0.423800 4.5065E-01 -1.0308E+01 -1.1166E+01 O6 5815 15.999400 -0.847600 3.6340E+00 8.5056E+00 -1.4774E+01 H1 5816 1.008000 0.423800 3.7860E+00 9.2544E+00 -1.4129E+01 H2 5817 1.008000 0.423800 3.9915E+00 8.7617E+00 -1.5672E+01 O6 5818 15.999400 -0.847600 9.8592E+00 1.3498E+01 1.1714E+01 H1 5819 1.008000 0.423800 8.9187E+00 1.3589E+01 1.1386E+01 H2 5820 1.008000 0.423800 1.0466E+01 1.3321E+01 1.0940E+01 O6 5821 15.999400 -0.847600 1.4062E+01 1.8296E+01 -3.2968E+00 H1 5822 1.008000 0.423800 1.3410E+01 1.8979E+01 -2.9688E+00 H2 5823 1.008000 0.423800 1.4231E+01 1.7624E+01 -2.5761E+00 O6 5824 15.999400 -0.847600 1.7100E+01 -1.9381E+01 1.5878E+01 H1 5825 1.008000 0.423800 1.6710E+01 -1.8827E+01 1.6614E+01 H2 5826 1.008000 0.423800 1.8082E+01 -1.9204E+01 1.5812E+01 O6 5827 15.999400 -0.847600 1.2125E+01 7.0873E+00 -1.4545E+01 H1 5828 1.008000 0.423800 1.2930E+01 6.8393E+00 -1.4005E+01 H2 5829 1.008000 0.423800 1.1703E+01 7.9065E+00 -1.4157E+01 O6 5830 15.999400 -0.847600 8.1313E+00 -7.7259E+00 -3.4331E+00 H1 5831 1.008000 0.423800 7.8293E+00 -7.8098E+00 -4.3828E+00 H2 5832 1.008000 0.423800 7.3333E+00 -7.6509E+00 -2.8351E+00 O6 5833 15.999400 -0.847600 8.9458E+00 1.0945E+01 -3.2004E+00 H1 5834 1.008000 0.423800 8.0510E+00 1.0807E+01 -3.6252E+00 H2 5835 1.008000 0.423800 9.2801E+00 1.0075E+01 -2.8373E+00 O6 5836 15.999400 -0.847600 2.9985E+00 -1.7837E+01 -1.8792E+01 H1 5837 1.008000 0.423800 3.0934E+00 -1.6880E+01 -1.8517E+01 H2 5838 1.008000 0.423800 3.1101E+00 -1.8427E+01 -1.7993E+01 O6 5839 15.999400 -0.847600 1.5669E+01 -8.6658E+00 1.5795E+01 H1 5840 1.008000 0.423800 1.5061E+01 -8.1171E+00 1.5221E+01 H2 5841 1.008000 0.423800 1.5576E+01 -9.6311E+00 1.5551E+01 O6 5842 15.999400 -0.847600 -1.5041E+01 7.9599E+00 -4.9750E+00 H1 5843 1.008000 0.423800 -1.4909E+01 8.9332E+00 -5.1628E+00 H2 5844 1.008000 0.423800 -1.4814E+01 7.7711E+00 -4.0196E+00 O6 5845 15.999400 -0.847600 -4.2656E+00 1.9028E+01 -1.6066E+01 H1 5846 1.008000 0.423800 -3.9089E+00 -1.9167E+01 -1.6307E+01 H2 5847 1.008000 0.423800 -4.1435E+00 1.8872E+01 -1.5086E+01 O6 5848 15.999400 -0.847600 -7.2030E+00 -7.1530E+00 1.0501E+01 H1 5849 1.008000 0.423800 -7.3556E+00 -6.6696E+00 9.6393E+00 H2 5850 1.008000 0.423800 -6.3135E+00 -7.6093E+00 1.0475E+01 O6 5851 15.999400 -0.847600 -1.4273E+01 1.9165E+01 1.3556E+01 H1 5852 1.008000 0.423800 -1.5216E+01 1.9410E+01 1.3783E+01 H2 5853 1.008000 0.423800 -1.3652E+01 -1.9238E+01 1.3918E+01 O6 5854 15.999400 -0.847600 8.0752E+00 -1.0731E+00 1.4791E+01 H1 5855 1.008000 0.423800 7.3252E+00 -4.1254E-01 1.4756E+01 H2 5856 1.008000 0.423800 8.6644E+00 -8.6698E-01 1.5572E+01 O6 5857 15.999400 -0.847600 -8.4523E-01 1.7729E+01 -7.3227E+00 H1 5858 1.008000 0.423800 -1.8242E+00 1.7793E+01 -7.5166E+00 H2 5859 1.008000 0.423800 -5.9521E-01 1.8414E+01 -6.6383E+00 O6 5860 15.999400 -0.847600 8.7602E+00 9.2892E+00 -1.1902E+01 H1 5861 1.008000 0.423800 9.5984E+00 9.3645E+00 -1.2442E+01 H2 5862 1.008000 0.423800 8.0444E+00 8.8630E+00 -1.2455E+01 O6 5863 15.999400 -0.847600 1.5999E+00 9.4490E+00 -5.8424E+00 H1 5864 1.008000 0.423800 2.4970E+00 9.0106E+00 -5.8971E+00 H2 5865 1.008000 0.423800 8.9225E-01 8.7491E+00 -5.7454E+00 O6 5866 15.999400 -0.847600 1.1384E+01 -5.3683E+00 -4.1302E+00 H1 5867 1.008000 0.423800 1.0540E+01 -4.9004E+00 -3.8693E+00 H2 5868 1.008000 0.423800 1.1352E+01 -5.5972E+00 -5.1031E+00 O6 5869 15.999400 -0.847600 8.9588E-01 8.0110E+00 -1.4171E+01 H1 5870 1.008000 0.423800 1.8416E+00 8.1228E+00 -1.4476E+01 H2 5871 1.008000 0.423800 3.9337E-01 7.4609E+00 -1.4838E+01 O6 5872 15.999400 -0.847600 1.8994E+01 4.8186E+00 -1.5446E+01 H1 5873 1.008000 0.423800 -1.9339E+01 4.4355E+00 -1.5964E+01 H2 5874 1.008000 0.423800 1.9299E+01 5.6344E+00 -1.4955E+01 O6 5875 15.999400 -0.847600 1.3585E+01 -1.3332E+01 1.4520E+01 H1 5876 1.008000 0.423800 1.2984E+01 -1.2705E+01 1.4024E+01 H2 5877 1.008000 0.423800 1.3740E+01 -1.4152E+01 1.3968E+01 O6 5878 15.999400 -0.847600 -1.7679E+01 1.8342E+01 -1.3163E+01 H1 5879 1.008000 0.423800 -1.7403E+01 1.8057E+01 -1.4081E+01 H2 5880 1.008000 0.423800 -1.7080E+01 1.7913E+01 -1.2487E+01 O6 5881 15.999400 -0.847600 1.4233E+01 -1.9467E+01 2.2279E+00 H1 5882 1.008000 0.423800 1.3605E+01 -1.9007E+01 1.6009E+00 H2 5883 1.008000 0.423800 1.3784E+01 1.9495E+01 3.1107E+00 O6 5884 15.999400 -0.847600 -1.6807E+01 1.0354E+01 -8.1891E+00 H1 5885 1.008000 0.423800 -1.7467E+01 1.1063E+01 -8.4383E+00 H2 5886 1.008000 0.423800 -1.6496E+01 1.0504E+01 -7.2506E+00 O6 5887 15.999400 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1.7022E+00 -4.5833E+00 H2 5904 1.008000 0.423800 3.6672E+00 5.1656E-01 -5.3111E+00 O6 5905 15.999400 -0.847600 -1.2841E+00 6.6524E-01 -9.5911E+00 H1 5906 1.008000 0.423800 -1.9542E+00 6.2269E-01 -1.0332E+01 H2 5907 1.008000 0.423800 -1.1894E+00 1.6113E+00 -9.2814E+00 O6 5908 15.999400 -0.847600 -3.6578E+00 9.2489E-01 -1.1639E+01 H1 5909 1.008000 0.423800 -4.3568E+00 2.4603E-01 -1.1864E+01 H2 5910 1.008000 0.423800 -3.9470E+00 1.8232E+00 -1.1970E+01 O6 5911 15.999400 -0.847600 -1.2545E+01 -1.1096E+01 -4.1618E+00 H1 5912 1.008000 0.423800 -1.1774E+01 -1.0815E+01 -3.5916E+00 H2 5913 1.008000 0.423800 -1.2295E+01 -1.1013E+01 -5.1264E+00 O6 5914 15.999400 -0.847600 6.6411E-02 -1.8486E+00 -1.9518E+01 H1 5915 1.008000 0.423800 -4.9549E-02 -1.3983E+00 -1.8633E+01 H2 5916 1.008000 0.423800 -7.2609E-01 -1.6554E+00 1.9001E+01 O6 5917 15.999400 -0.847600 9.9738E+00 -1.5465E+01 -1.4545E+01 H1 5918 1.008000 0.423800 9.3830E+00 -1.6237E+01 -1.4311E+01 H2 5919 1.008000 0.423800 1.0601E+01 -1.5736E+01 -1.5276E+01 O6 5920 15.999400 -0.847600 5.7599E+00 -1.6339E+01 8.1751E+00 H1 5921 1.008000 0.423800 6.0850E+00 -1.5570E+01 7.6243E+00 H2 5922 1.008000 0.423800 5.2156E+00 -1.6952E+01 7.6028E+00 O6 5923 15.999400 -0.847600 1.4425E+01 6.7488E+00 -6.1364E+00 H1 5924 1.008000 0.423800 1.5250E+01 6.1958E+00 -6.0206E+00 H2 5925 1.008000 0.423800 1.4036E+01 6.5811E+00 -7.0421E+00 O6 5926 15.999400 -0.847600 -1.1732E+01 -1.2892E+01 1.4293E+01 H1 5927 1.008000 0.423800 -1.2387E+01 -1.2313E+01 1.3807E+01 H2 5928 1.008000 0.423800 -1.0890E+01 -1.2964E+01 1.3758E+01 O6 5929 15.999400 -0.847600 -1.6021E+01 7.2258E+00 -1.1254E+01 H1 5930 1.008000 0.423800 -1.6418E+01 7.2031E+00 -1.2171E+01 H2 5931 1.008000 0.423800 -1.6054E+01 6.3099E+00 -1.0854E+01 O6 5932 15.999400 -0.847600 -4.0036E+00 5.1670E+00 1.5952E+00 H1 5933 1.008000 0.423800 -3.6299E+00 5.5391E+00 2.4448E+00 H2 5934 1.008000 0.423800 -3.2769E+00 4.7073E+00 1.0847E+00 O6 5935 15.999400 -0.847600 -1.8124E+01 -4.0554E-01 1.3346E+01 H1 5936 1.008000 0.423800 -1.8372E+01 3.1251E-01 1.3996E+01 H2 5937 1.008000 0.423800 -1.7136E+01 -5.6093E-01 1.3383E+01 O6 5938 15.999400 -0.847600 -3.2852E+00 4.1969E+00 -1.5178E+01 H1 5939 1.008000 0.423800 -3.4396E+00 5.1669E+00 -1.5366E+01 H2 5940 1.008000 0.423800 -3.5042E+00 3.6608E+00 -1.5994E+01 O6 5941 15.999400 -0.847600 -4.0998E+00 -7.4479E+00 -8.7373E-01 H1 5942 1.008000 0.423800 -4.1941E+00 -7.9452E+00 -1.7362E+00 H2 5943 1.008000 0.423800 -4.9527E+00 -7.5139E+00 -3.5597E-01 O6 5944 15.999400 -0.847600 1.3150E+01 -1.2614E+01 -3.2413E+00 H1 5945 1.008000 0.423800 1.4090E+01 -1.2610E+01 -3.5823E+00 H2 5946 1.008000 0.423800 1.3146E+01 -1.2877E+01 -2.2767E+00 O6 5947 15.999400 -0.847600 8.0422E-01 7.6826E+00 1.3191E+01 H1 5948 1.008000 0.423800 3.0630E-01 8.1388E+00 1.2454E+01 H2 5949 1.008000 0.423800 9.4864E-01 6.7225E+00 1.2952E+01 O6 5950 15.999400 -0.847600 -2.6371E+00 1.4877E+01 5.0630E+00 H1 5951 1.008000 0.423800 -2.5802E+00 1.4279E+01 4.2638E+00 H2 5952 1.008000 0.423800 -2.9298E+00 1.5789E+01 4.7760E+00 O6 5953 15.999400 -0.847600 1.3443E+01 -1.8742E+00 1.5572E+01 H1 5954 1.008000 0.423800 1.3587E+01 -2.6396E+00 1.4945E+01 H2 5955 1.008000 0.423800 1.3209E+01 -1.0543E+00 1.5049E+01 O6 5956 15.999400 -0.847600 1.0739E+01 -7.7794E+00 2.7275E+00 H1 5957 1.008000 0.423800 1.0788E+01 -6.9628E+00 2.1524E+00 H2 5958 1.008000 0.423800 1.1452E+01 -8.4242E+00 2.4532E+00 O6 5959 15.999400 -0.847600 -1.9529E+01 8.0596E-01 -1.3521E+01 H1 5960 1.008000 0.423800 1.9089E+01 4.1209E-02 -1.3951E+01 H2 5961 1.008000 0.423800 -1.8888E+01 1.2080E+00 -1.4175E+01 O6 5962 15.999400 -0.847600 1.8672E+01 -1.2600E+01 9.4369E+00 H1 5963 1.008000 0.423800 1.8030E+01 -1.3036E+01 1.0067E+01 H2 5964 1.008000 0.423800 1.9251E+01 -1.3298E+01 9.0161E+00 O6 5965 15.999400 -0.847600 1.3302E+00 7.6801E+00 1.5817E+01 H1 5966 1.008000 0.423800 2.2492E+00 7.9653E+00 1.6089E+01 H2 5967 1.008000 0.423800 1.2103E+00 7.8340E+00 1.4836E+01 O6 5968 15.999400 -0.847600 5.6624E+00 -5.9117E+00 1.7702E+01 H1 5969 1.008000 0.423800 6.1585E+00 -5.1524E+00 1.8123E+01 H2 5970 1.008000 0.423800 5.5169E+00 -5.7176E+00 1.6732E+01 O6 5971 15.999400 -0.847600 -4.4597E+00 -2.6751E+00 1.6493E+01 H1 5972 1.008000 0.423800 -4.9908E+00 -2.6042E+00 1.7337E+01 H2 5973 1.008000 0.423800 -5.0070E+00 -2.3401E+00 1.5726E+01 O6 5974 15.999400 -0.847600 -3.1528E+00 1.4206E+00 -1.9125E+01 H1 5975 1.008000 0.423800 -2.9867E+00 7.9158E-01 1.9213E+01 H2 5976 1.008000 0.423800 -2.2815E+00 1.6707E+00 -1.8703E+01 O6 5977 15.999400 -0.847600 9.6938E+00 -1.5385E+00 1.2466E+01 H1 5978 1.008000 0.423800 9.2912E+00 -6.4370E-01 1.2273E+01 H2 5979 1.008000 0.423800 9.4231E+00 -1.8348E+00 1.3382E+01 O6 5980 15.999400 -0.847600 9.8885E+00 5.9247E+00 1.3204E+01 H1 5981 1.008000 0.423800 9.8528E+00 4.9799E+00 1.3530E+01 H2 5982 1.008000 0.423800 1.0768E+01 6.0901E+00 1.2757E+01 O6 5983 15.999400 -0.847600 9.7852E+00 1.5774E+00 -9.5101E+00 H1 5984 1.008000 0.423800 8.8697E+00 1.4387E+00 -9.8877E+00 H2 5985 1.008000 0.423800 1.0117E+01 7.1989E-01 -9.1168E+00 O6 5986 15.999400 -0.847600 3.9896E+00 -4.4407E+00 1.1034E+00 H1 5987 1.008000 0.423800 4.7301E+00 -5.1128E+00 1.1091E+00 H2 5988 1.008000 0.423800 3.8699E+00 -4.0688E+00 2.0239E+00 O6 5989 15.999400 -0.847600 9.8392E+00 2.5154E-02 1.9534E+01 H1 5990 1.008000 0.423800 1.0077E+01 8.9001E-01 -1.9121E+01 H2 5991 1.008000 0.423800 8.9292E+00 9.8360E-02 1.9126E+01 O6 5992 15.999400 -0.847600 -7.2574E+00 -9.5328E+00 -4.6366E+00 H1 5993 1.008000 0.423800 -7.2904E+00 -9.7792E+00 -3.6679E+00 H2 5994 1.008000 0.423800 -7.3381E+00 -1.0359E+01 -5.1936E+00 O6 5995 15.999400 -0.847600 1.3282E+01 1.2343E+01 -2.0393E+00 H1 5996 1.008000 0.423800 1.3895E+01 1.3095E+01 -2.2822E+00 H2 5997 1.008000 0.423800 1.2586E+01 1.2674E+01 -1.4013E+00 O6 5998 15.999400 -0.847600 1.9313E+01 5.1169E+00 -3.1789E+00 H1 5999 1.008000 0.423800 -1.9502E+01 5.3537E+00 -4.1087E+00 H2 6000 1.008000 0.423800 1.9498E+01 5.8869E+00 -2.5683E+00 O6 6001 15.999400 -0.847600 -6.4117E+00 -1.9150E+01 9.5421E+00 H1 6002 1.008000 0.423800 -6.2914E+00 -1.8391E+01 1.0181E+01 H2 6003 1.008000 0.423800 -6.9541E+00 1.9228E+01 9.9772E+00 O6 6004 15.999400 -0.847600 -9.0345E+00 -2.1257E+00 1.3505E+01 H1 6005 1.008000 0.423800 -9.6193E+00 -1.4543E+00 1.3050E+01 H2 6006 1.008000 0.423800 -8.5892E+00 -2.7000E+00 1.2818E+01 timestep 100001 6006 0 1 0.001000 39.10 0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.2284E+01 1.2170E+01 2.8469E+00 O1 2 15.999400 -1.000000 -1.1227E+01 1.2161E+01 1.5540E+00 O2 3 15.999400 -1.000000 -1.3589E+01 1.1185E+01 2.5060E+00 O3 4 15.999400 -1.000000 -1.1501E+01 1.1605E+01 4.2097E+00 O4 5 15.999400 -1.000000 -1.2819E+01 1.3729E+01 3.1179E+00 CU 6 63.465000 2.000000 -1.0814E+01 1.0703E+01 5.6028E+00 O6 7 15.999400 -0.847600 1.6445E+01 1.4054E+01 1.6267E+01 H1 8 1.008000 0.423800 1.6463E+01 1.4673E+01 1.7052E+01 H2 9 1.008000 0.423800 1.6843E+01 1.4513E+01 1.5472E+01 O6 10 15.999400 -0.847600 1.0153E+01 1.0029E+01 9.9921E+00 H1 11 1.008000 0.423800 1.0522E+01 9.3231E+00 1.0596E+01 H2 12 1.008000 0.423800 1.0770E+01 1.0815E+01 9.9815E+00 O6 13 15.999400 -0.847600 -1.8860E+00 -1.5777E+01 -6.2930E+00 H1 14 1.008000 0.423800 -2.0841E+00 -1.6521E+01 -5.6550E+00 H2 15 1.008000 0.423800 -2.7427E+00 -1.5354E+01 -6.5871E+00 O6 16 15.999400 -0.847600 -8.0170E+00 -1.3321E+01 1.2577E+01 H1 17 1.008000 0.423800 -7.5198E+00 -1.2788E+01 1.3262E+01 H2 18 1.008000 0.423800 -8.5245E+00 -1.4054E+01 1.3029E+01 O6 19 15.999400 -0.847600 -1.5617E+01 1.1789E+01 1.3818E+01 H1 20 1.008000 0.423800 -1.6534E+01 1.1961E+01 1.4177E+01 H2 21 1.008000 0.423800 -1.5047E+01 1.1389E+01 1.4536E+01 O6 22 15.999400 -0.847600 -1.6934E+01 1.6595E+01 1.6617E+01 H1 23 1.008000 0.423800 -1.6842E+01 1.6081E+01 1.7470E+01 H2 24 1.008000 0.423800 -1.6471E+01 1.6103E+01 1.5880E+01 O6 25 15.999400 -0.847600 6.2568E+00 8.0471E+00 6.9349E+00 H1 26 1.008000 0.423800 6.9423E+00 8.3256E+00 6.2622E+00 H2 27 1.008000 0.423800 6.4351E+00 8.5096E+00 7.8035E+00 O6 28 15.999400 -0.847600 -3.0224E+00 2.4279E+00 9.3495E-01 H1 29 1.008000 0.423800 -2.5678E+00 1.6865E+00 4.4126E-01 H2 30 1.008000 0.423800 -2.6407E+00 3.3052E+00 6.4389E-01 O6 31 15.999400 -0.847600 -6.0269E+00 1.7023E+01 1.5820E+01 H1 32 1.008000 0.423800 -5.7883E+00 1.7600E+01 1.5040E+01 H2 33 1.008000 0.423800 -6.0477E+00 1.7579E+01 1.6652E+01 O6 34 15.999400 -0.847600 -1.3469E+01 -4.2942E-01 -9.3235E+00 H1 35 1.008000 0.423800 -1.4330E+01 -2.3530E-02 -9.6299E+00 H2 36 1.008000 0.423800 -1.3219E+01 -4.7376E-02 -8.4340E+00 O6 37 15.999400 -0.847600 6.3247E+00 -6.3667E+00 6.2496E+00 H1 38 1.008000 0.423800 5.8404E+00 -5.6354E+00 5.7692E+00 H2 39 1.008000 0.423800 7.0961E+00 -5.9798E+00 6.7548E+00 O6 40 15.999400 -0.847600 -7.7721E+00 3.5183E-02 -1.1378E+01 H1 41 1.008000 0.423800 -7.8073E+00 9.2037E-01 -1.1842E+01 H2 42 1.008000 0.423800 -8.6728E+00 -3.9742E-01 -1.1417E+01 O6 43 15.999400 -0.847600 -5.3689E+00 -9.2277E+00 1.1886E+01 H1 44 1.008000 0.423800 -4.5640E+00 -9.6258E+00 1.1446E+01 H2 45 1.008000 0.423800 -5.2101E+00 -8.2548E+00 1.2054E+01 O6 46 15.999400 -0.847600 -1.0041E+01 6.5729E+00 -5.1714E+00 H1 47 1.008000 0.423800 -9.1714E+00 6.0796E+00 -5.1520E+00 H2 48 1.008000 0.423800 -1.0046E+01 7.2686E+00 -4.4531E+00 O6 49 15.999400 -0.847600 -8.9018E+00 -1.1368E+01 -8.8606E+00 H1 50 1.008000 0.423800 -8.1365E+00 -1.0892E+01 -8.4280E+00 H2 51 1.008000 0.423800 -9.4592E+00 -1.0712E+01 -9.3686E+00 O6 52 15.999400 -0.847600 -1.8831E+01 -6.2975E+00 5.0516E+00 H1 53 1.008000 0.423800 -1.9369E+01 -5.7664E+00 4.3971E+00 H2 54 1.008000 0.423800 -1.8622E+01 -7.1944E+00 4.6615E+00 O6 55 15.999400 -0.847600 -1.2315E+01 -2.6883E+00 -1.3364E+01 H1 56 1.008000 0.423800 -1.2297E+01 -2.0386E+00 -1.4124E+01 H2 57 1.008000 0.423800 -1.2991E+01 -3.4014E+00 -1.3552E+01 O6 58 15.999400 -0.847600 5.8572E+00 -1.5452E+01 -1.1301E+01 H1 59 1.008000 0.423800 6.8033E+00 -1.5133E+01 -1.1247E+01 H2 60 1.008000 0.423800 5.2489E+00 -1.4760E+01 -1.0913E+01 O6 61 15.999400 -0.847600 9.9282E+00 -1.0899E+01 3.3377E+00 H1 62 1.008000 0.423800 1.0077E+01 -1.1862E+01 3.5642E+00 H2 63 1.008000 0.423800 9.4736E+00 -1.0833E+01 2.4495E+00 O6 64 15.999400 -0.847600 9.1845E-01 -1.9494E+01 -7.4769E-01 H1 65 1.008000 0.423800 1.3270E-02 1.9180E+01 -7.8558E-01 H2 66 1.008000 0.423800 8.5305E-01 -1.8541E+01 -1.0423E+00 O6 67 15.999400 -0.847600 -1.1757E+01 -1.8742E+01 1.3153E+01 H1 68 1.008000 0.423800 -1.1764E+01 1.9435E+01 1.3544E+01 H2 69 1.008000 0.423800 -1.0902E+01 -1.8284E+01 1.3396E+01 O6 70 15.999400 -0.847600 8.8670E+00 -3.8957E+00 5.4679E+00 H1 71 1.008000 0.423800 9.7048E+00 -3.3580E+00 5.3733E+00 H2 72 1.008000 0.423800 8.7384E+00 -4.1465E+00 6.4273E+00 O6 73 15.999400 -0.847600 2.3856E+00 1.6319E+01 1.5673E+00 H1 74 1.008000 0.423800 2.5187E+00 1.5568E+01 2.2135E+00 H2 75 1.008000 0.423800 2.3119E+00 1.7181E+01 2.0690E+00 O6 76 15.999400 -0.847600 8.6682E+00 6.7946E+00 -3.2349E+00 H1 77 1.008000 0.423800 7.8367E+00 6.2609E+00 -3.0805E+00 H2 78 1.008000 0.423800 8.4872E+00 7.7581E+00 -3.0377E+00 O6 79 15.999400 -0.847600 5.6245E+00 1.9376E+01 1.3525E+01 H1 80 1.008000 0.423800 5.0257E+00 1.8580E+01 1.3439E+01 H2 81 1.008000 0.423800 6.1470E+00 1.9494E+01 1.2681E+01 O6 82 15.999400 -0.847600 -5.8807E+00 -1.5209E+01 1.7138E+00 H1 83 1.008000 0.423800 -5.4019E+00 -1.5791E+01 1.0567E+00 H2 84 1.008000 0.423800 -6.2672E+00 -1.4418E+01 1.2388E+00 O6 85 15.999400 -0.847600 8.5056E+00 1.5819E-01 -7.0945E+00 H1 86 1.008000 0.423800 8.6383E+00 2.0772E-01 -8.0844E+00 H2 87 1.008000 0.423800 9.3930E+00 6.2246E-02 -6.6436E+00 O6 88 15.999400 -0.847600 5.9805E+00 -1.9126E+01 -9.5974E+00 H1 89 1.008000 0.423800 5.8161E+00 1.9121E+01 -9.0987E+00 H2 90 1.008000 0.423800 5.2523E+00 -1.8473E+01 -9.3908E+00 O6 91 15.999400 -0.847600 -7.5473E-01 -4.0329E+00 4.3800E+00 H1 92 1.008000 0.423800 -1.5955E+00 -4.5364E+00 4.5789E+00 H2 93 1.008000 0.423800 -6.7755E-01 -3.8896E+00 3.3933E+00 O6 94 15.999400 -0.847600 -1.1019E+01 4.0110E+00 6.0273E+00 H1 95 1.008000 0.423800 -1.0407E+01 4.2571E+00 5.2757E+00 H2 96 1.008000 0.423800 -1.1687E+01 3.3390E+00 5.7069E+00 O6 97 15.999400 -0.847600 1.2671E+01 -1.4998E+00 1.3625E+01 H1 98 1.008000 0.423800 1.2263E+01 -8.3559E-01 1.2999E+01 H2 99 1.008000 0.423800 1.1984E+01 -1.8017E+00 1.4286E+01 O6 100 15.999400 -0.847600 -2.7135E+00 -1.5491E+01 5.8538E+00 H1 101 1.008000 0.423800 -3.6827E+00 -1.5298E+01 5.7004E+00 H2 102 1.008000 0.423800 -2.1684E+00 -1.4701E+01 5.5728E+00 O6 103 15.999400 -0.847600 1.5302E+01 2.0623E+00 3.1461E-01 H1 104 1.008000 0.423800 1.6191E+01 2.5083E+00 2.0559E-01 H2 105 1.008000 0.423800 1.5357E+01 1.1231E+00 -2.4554E-02 O6 106 15.999400 -0.847600 4.4475E+00 1.7175E+01 1.5663E+01 H1 107 1.008000 0.423800 4.6578E+00 1.6462E+01 1.4994E+01 H2 108 1.008000 0.423800 5.2989E+00 1.7573E+01 1.6005E+01 O6 109 15.999400 -0.847600 -1.4436E+01 -1.5209E+01 1.0970E+01 H1 110 1.008000 0.423800 -1.3734E+01 -1.5920E+01 1.0984E+01 H2 111 1.008000 0.423800 -1.4107E+01 -1.4405E+01 1.1466E+01 O6 112 15.999400 -0.847600 3.9114E+00 7.0607E+00 5.8916E+00 H1 113 1.008000 0.423800 4.4213E+00 7.8660E+00 6.1943E+00 H2 114 1.008000 0.423800 3.5658E+00 6.5660E+00 6.6890E+00 O6 115 15.999400 -0.847600 -1.7059E+01 -1.0785E+01 -1.0734E+01 H1 116 1.008000 0.423800 -1.7065E+01 -1.1009E+01 -1.1708E+01 H2 117 1.008000 0.423800 -1.6880E+01 -1.1612E+01 -1.0202E+01 O6 118 15.999400 -0.847600 5.3175E+00 -5.3047E+00 1.0276E+01 H1 119 1.008000 0.423800 5.6827E+00 -6.1005E+00 9.7928E+00 H2 120 1.008000 0.423800 5.4396E+00 -5.4278E+00 1.1261E+01 O6 121 15.999400 -0.847600 -1.7790E+00 5.1138E+00 1.3231E+00 H1 122 1.008000 0.423800 -2.5354E+00 5.7518E+00 1.1790E+00 H2 123 1.008000 0.423800 -9.6387E-01 5.4516E+00 8.5257E-01 O6 124 15.999400 -0.847600 9.2016E+00 1.0029E+01 1.3000E+01 H1 125 1.008000 0.423800 9.3523E+00 1.1011E+01 1.2884E+01 H2 126 1.008000 0.423800 9.3136E+00 9.5686E+00 1.2120E+01 O6 127 15.999400 -0.847600 1.6435E+01 1.5500E+01 1.8370E+01 H1 128 1.008000 0.423800 1.5541E+01 1.5560E+01 1.8814E+01 H2 129 1.008000 0.423800 1.7103E+01 1.5131E+01 1.9016E+01 O6 130 15.999400 -0.847600 1.2181E+01 -3.1344E+00 -6.4623E+00 H1 131 1.008000 0.423800 1.2614E+01 -2.6944E+00 -5.6754E+00 H2 132 1.008000 0.423800 1.2708E+01 -2.9322E+00 -7.2883E+00 O6 133 15.999400 -0.847600 -1.3789E+01 7.0908E+00 5.3928E+00 H1 134 1.008000 0.423800 -1.3856E+01 6.1323E+00 5.1155E+00 H2 135 1.008000 0.423800 -1.3558E+01 7.1412E+00 6.3644E+00 O6 136 15.999400 -0.847600 -1.8526E+01 2.8578E+00 1.9372E+01 H1 137 1.008000 0.423800 -1.7994E+01 3.3234E+00 1.8665E+01 H2 138 1.008000 0.423800 -1.9501E+01 3.0179E+00 1.9214E+01 O6 139 15.999400 -0.847600 7.4958E+00 1.8137E+01 -1.1946E+01 H1 140 1.008000 0.423800 7.4641E+00 1.8033E+01 -1.0952E+01 H2 141 1.008000 0.423800 7.3195E+00 1.9091E+01 -1.2187E+01 O6 142 15.999400 -0.847600 -1.7686E+01 1.7447E+01 2.4255E-01 H1 143 1.008000 0.423800 -1.8180E+01 1.8140E+01 7.6757E-01 H2 144 1.008000 0.423800 -1.7626E+01 1.7733E+01 -7.1384E-01 O6 145 15.999400 -0.847600 -1.2605E+01 -1.3906E+01 8.3670E+00 H1 146 1.008000 0.423800 -1.3453E+01 -1.4365E+01 8.6295E+00 H2 147 1.008000 0.423800 -1.2573E+01 -1.2999E+01 8.7877E+00 O6 148 15.999400 -0.847600 -7.6281E+00 1.2274E+01 -2.5148E+00 H1 149 1.008000 0.423800 -7.5135E+00 1.3265E+01 -2.4351E+00 H2 150 1.008000 0.423800 -7.3712E+00 1.1839E+01 -1.6522E+00 O6 151 15.999400 -0.847600 1.7539E+01 -8.4469E+00 -3.1766E+00 H1 152 1.008000 0.423800 1.8054E+01 -7.7839E+00 -2.6332E+00 H2 153 1.008000 0.423800 1.6690E+01 -8.6787E+00 -2.7021E+00 O6 154 15.999400 -0.847600 1.7815E+01 1.0450E+01 -1.5338E+01 H1 155 1.008000 0.423800 1.8134E+01 9.5880E+00 -1.4944E+01 H2 156 1.008000 0.423800 1.6815E+01 1.0460E+01 -1.5351E+01 O6 157 15.999400 -0.847600 1.3011E+01 -5.8052E+00 -1.1845E+01 H1 158 1.008000 0.423800 1.2319E+01 -5.6048E+00 -1.2539E+01 H2 159 1.008000 0.423800 1.3922E+01 -5.6466E+00 -1.2226E+01 O6 160 15.999400 -0.847600 -1.0191E+01 1.0073E+01 -1.5968E+01 H1 161 1.008000 0.423800 -1.0264E+01 9.2155E+00 -1.6477E+01 H2 162 1.008000 0.423800 -1.0972E+01 1.0162E+01 -1.5350E+01 O6 163 15.999400 -0.847600 9.9910E+00 1.4210E+01 -4.0383E+00 H1 164 1.008000 0.423800 9.9015E+00 1.3299E+01 -3.6351E+00 H2 165 1.008000 0.423800 9.4607E+00 1.4253E+01 -4.8850E+00 O6 166 15.999400 -0.847600 1.6980E+01 7.0188E+00 1.6613E+01 H1 167 1.008000 0.423800 1.7911E+01 7.1947E+00 1.6935E+01 H2 168 1.008000 0.423800 1.6337E+01 7.1467E+00 1.7367E+01 O6 169 15.999400 -0.847600 -6.4063E+00 -1.7179E+01 1.2563E+01 H1 170 1.008000 0.423800 -7.3726E+00 -1.7299E+01 1.2790E+01 H2 171 1.008000 0.423800 -6.0829E+00 -1.7975E+01 1.2052E+01 O6 172 15.999400 -0.847600 -2.9835E+00 1.4380E+01 5.4855E+00 H1 173 1.008000 0.423800 -2.6553E+00 1.4531E+01 4.5529E+00 H2 174 1.008000 0.423800 -3.7955E+00 1.3797E+01 5.4629E+00 O6 175 15.999400 -0.847600 -4.4321E+00 1.9548E+01 1.3876E+00 H1 176 1.008000 0.423800 -5.3519E+00 -1.9284E+01 1.0990E+00 H2 177 1.008000 0.423800 -3.9515E+00 -1.8750E+01 1.7475E+00 O6 178 15.999400 -0.847600 1.3035E+01 1.2487E+01 7.4951E+00 H1 179 1.008000 0.423800 1.3565E+01 1.2872E+01 6.7402E+00 H2 180 1.008000 0.423800 1.2298E+01 1.1919E+01 7.1286E+00 O6 181 15.999400 -0.847600 1.6131E+01 1.2350E+01 -8.6880E+00 H1 182 1.008000 0.423800 1.5254E+01 1.2148E+01 -9.1258E+00 H2 183 1.008000 0.423800 1.6044E+01 1.2232E+01 -7.6987E+00 O6 184 15.999400 -0.847600 -8.8956E+00 -5.5392E+00 9.8620E+00 H1 185 1.008000 0.423800 -7.9112E+00 -5.7143E+00 9.8443E+00 H2 186 1.008000 0.423800 -9.0945E+00 -4.8209E+00 1.0529E+01 O6 187 15.999400 -0.847600 1.1443E+00 -1.1196E+01 1.2391E+01 H1 188 1.008000 0.423800 1.5791E+00 -1.0805E+01 1.3203E+01 H2 189 1.008000 0.423800 1.6752E+00 -1.0953E+01 1.1579E+01 O6 190 15.999400 -0.847600 -1.2302E+01 -1.3605E+01 1.2120E+01 H1 191 1.008000 0.423800 -1.1533E+01 -1.3003E+01 1.2334E+01 H2 192 1.008000 0.423800 -1.2647E+01 -1.4018E+01 1.2963E+01 O6 193 15.999400 -0.847600 -9.2220E+00 -1.9276E+01 -1.8800E+01 H1 194 1.008000 0.423800 -9.7131E+00 1.9141E+01 -1.8256E+01 H2 195 1.008000 0.423800 -8.9449E+00 -1.8516E+01 -1.8212E+01 O6 196 15.999400 -0.847600 -3.4826E+00 1.4697E+01 -5.0325E+00 H1 197 1.008000 0.423800 -2.5102E+00 1.4465E+01 -5.0066E+00 H2 198 1.008000 0.423800 -4.0066E+00 1.3991E+01 -4.5569E+00 O6 199 15.999400 -0.847600 -6.8990E+00 -1.3911E+01 -6.2645E+00 H1 200 1.008000 0.423800 -6.2188E+00 -1.3219E+01 -6.0235E+00 H2 201 1.008000 0.423800 -7.3519E+00 -1.4236E+01 -5.4344E+00 O6 202 15.999400 -0.847600 1.3559E+01 -5.3294E+00 -5.2481E+00 H1 203 1.008000 0.423800 1.2817E+01 -4.7133E+00 -5.5110E+00 H2 204 1.008000 0.423800 1.3212E+01 -6.2654E+00 -5.1924E+00 O6 205 15.999400 -0.847600 1.0908E+01 -2.1497E+00 5.7400E+00 H1 206 1.008000 0.423800 1.1029E+01 -2.1600E+00 6.7327E+00 H2 207 1.008000 0.423800 1.1776E+01 -1.9139E+00 5.3016E+00 O6 208 15.999400 -0.847600 1.5666E+01 3.9030E+00 -9.4011E+00 H1 209 1.008000 0.423800 1.6647E+01 3.7167E+00 -9.3403E+00 H2 210 1.008000 0.423800 1.5427E+01 4.6404E+00 -8.7693E+00 O6 211 15.999400 -0.847600 1.0908E+01 -1.6918E+01 -9.2736E+00 H1 212 1.008000 0.423800 1.0021E+01 -1.7308E+01 -9.5211E+00 H2 213 1.008000 0.423800 1.0874E+01 -1.6582E+01 -8.3322E+00 O6 214 15.999400 -0.847600 -3.1593E+00 -7.5438E+00 -1.3905E+01 H1 215 1.008000 0.423800 -3.5904E+00 -6.7170E+00 -1.3544E+01 H2 216 1.008000 0.423800 -3.8045E+00 -8.3060E+00 -1.3853E+01 O6 217 15.999400 -0.847600 1.0685E+01 -9.0012E+00 5.2236E+00 H1 218 1.008000 0.423800 9.9172E+00 -8.3812E+00 5.3836E+00 H2 219 1.008000 0.423800 1.0442E+01 -9.6554E+00 4.5075E+00 O6 220 15.999400 -0.847600 2.3307E+00 -1.0505E+01 4.1130E+00 H1 221 1.008000 0.423800 2.4705E+00 -1.0100E+01 5.0165E+00 H2 222 1.008000 0.423800 1.8607E+00 -9.8485E+00 3.5227E+00 O6 223 15.999400 -0.847600 1.0609E+01 1.4399E+01 1.8682E+01 H1 224 1.008000 0.423800 1.0176E+01 1.4470E+01 1.7783E+01 H2 225 1.008000 0.423800 1.1320E+01 1.3696E+01 1.8655E+01 O6 226 15.999400 -0.847600 -8.7318E+00 1.2962E+01 1.7180E+01 H1 227 1.008000 0.423800 -8.7211E+00 1.3090E+01 1.8172E+01 H2 228 1.008000 0.423800 -8.1211E+00 1.3627E+01 1.6751E+01 O6 229 15.999400 -0.847600 -5.4223E+00 1.0614E+01 -9.6909E+00 H1 230 1.008000 0.423800 -4.8687E+00 1.0200E+01 -1.0413E+01 H2 231 1.008000 0.423800 -5.6523E+00 9.9210E+00 -9.0079E+00 O6 232 15.999400 -0.847600 1.6735E+01 -1.4757E+00 -6.2641E+00 H1 233 1.008000 0.423800 1.7304E+01 -9.5190E-01 -6.8978E+00 H2 234 1.008000 0.423800 1.6558E+01 -9.2908E-01 -5.4457E+00 O6 235 15.999400 -0.847600 2.3646E+00 -5.1454E+00 2.3630E+00 H1 236 1.008000 0.423800 2.1482E+00 -4.3640E+00 2.9483E+00 H2 237 1.008000 0.423800 2.8551E+00 -5.8351E+00 2.8957E+00 O6 238 15.999400 -0.847600 5.6942E+00 -9.2144E+00 5.2844E+00 H1 239 1.008000 0.423800 4.8424E+00 -9.1202E+00 5.7997E+00 H2 240 1.008000 0.423800 6.0061E+00 -8.3116E+00 4.9882E+00 O6 241 15.999400 -0.847600 1.9182E+01 -2.5009E+00 -1.2902E+01 H1 242 1.008000 0.423800 1.8822E+01 -2.5839E+00 -1.1973E+01 H2 243 1.008000 0.423800 1.9334E+01 -3.4129E+00 -1.3283E+01 O6 244 15.999400 -0.847600 -1.7327E+01 -1.1286E+01 4.3724E+00 H1 245 1.008000 0.423800 -1.7509E+01 -1.1638E+01 5.2904E+00 H2 246 1.008000 0.423800 -1.7157E+01 -1.2050E+01 3.7500E+00 O6 247 15.999400 -0.847600 -1.3351E-01 -7.2241E+00 -1.0225E+00 H1 248 1.008000 0.423800 8.1418E-01 -7.5224E+00 -1.1363E+00 H2 249 1.008000 0.423800 -6.2471E-01 -7.3382E+00 -1.8861E+00 O6 250 15.999400 -0.847600 -9.4160E+00 1.5423E+01 -6.1127E+00 H1 251 1.008000 0.423800 -9.4074E+00 1.5134E+01 -7.0699E+00 H2 252 1.008000 0.423800 -8.5352E+00 1.5207E+01 -5.6914E+00 O6 253 15.999400 -0.847600 7.8847E+00 3.2976E+00 1.6535E+01 H1 254 1.008000 0.423800 7.2747E+00 3.2928E+00 1.7328E+01 H2 255 1.008000 0.423800 7.3607E+00 3.0872E+00 1.5710E+01 O6 256 15.999400 -0.847600 -1.2064E+00 7.6870E+00 3.0349E+00 H1 257 1.008000 0.423800 -2.2482E-01 7.5188E+00 2.9435E+00 H2 258 1.008000 0.423800 -1.4202E+00 8.6039E+00 2.6981E+00 O6 259 15.999400 -0.847600 -7.3384E+00 1.4004E+01 2.4576E+00 H1 260 1.008000 0.423800 -7.6633E+00 1.4344E+01 1.5752E+00 H2 261 1.008000 0.423800 -6.3412E+00 1.3931E+01 2.4403E+00 O6 262 15.999400 -0.847600 -2.5443E-01 -1.7737E+00 1.4856E+01 H1 263 1.008000 0.423800 5.0692E-01 -1.6215E+00 1.5486E+01 H2 264 1.008000 0.423800 -7.5198E-01 -9.1675E-01 1.4721E+01 O6 265 15.999400 -0.847600 -1.6930E+01 6.4581E+00 -8.0612E+00 H1 266 1.008000 0.423800 -1.6369E+01 5.7012E+00 -7.7267E+00 H2 267 1.008000 0.423800 -1.6364E+01 7.2771E+00 -8.1546E+00 O6 268 15.999400 -0.847600 -2.6460E+00 1.0230E+01 1.2825E+01 H1 269 1.008000 0.423800 -3.6141E+00 1.0445E+01 1.2954E+01 H2 270 1.008000 0.423800 -2.4379E+00 1.0202E+01 1.1847E+01 O6 271 15.999400 -0.847600 3.6675E+00 -1.6241E+00 -1.8585E+01 H1 272 1.008000 0.423800 2.9179E+00 -2.0826E+00 -1.8107E+01 H2 273 1.008000 0.423800 4.4453E+00 -2.2480E+00 -1.8661E+01 O6 274 15.999400 -0.847600 -1.0671E+01 -1.1491E+01 -2.3990E+00 H1 275 1.008000 0.423800 -1.0434E+01 -1.2141E+01 -1.6768E+00 H2 276 1.008000 0.423800 -9.9602E+00 -1.1501E+01 -3.1021E+00 O6 277 15.999400 -0.847600 8.4303E+00 -2.6468E+00 -1.9421E+01 H1 278 1.008000 0.423800 7.6181E+00 -2.8556E+00 -1.8876E+01 H2 279 1.008000 0.423800 8.1525E+00 -2.3736E+00 1.8756E+01 O6 280 15.999400 -0.847600 -7.5183E+00 4.8350E+00 1.3191E+01 H1 281 1.008000 0.423800 -6.6113E+00 4.5669E+00 1.3516E+01 H2 282 1.008000 0.423800 -7.7920E+00 5.6889E+00 1.3634E+01 O6 283 15.999400 -0.847600 1.0715E+01 -5.0642E+00 1.0563E+01 H1 284 1.008000 0.423800 1.1447E+01 -4.7433E+00 1.1164E+01 H2 285 1.008000 0.423800 9.8974E+00 -5.2544E+00 1.1106E+01 O6 286 15.999400 -0.847600 -6.0344E+00 -9.2976E+00 -1.7199E+01 H1 287 1.008000 0.423800 -7.0314E+00 -9.3109E+00 -1.7123E+01 H2 288 1.008000 0.423800 -5.6372E+00 -9.8606E+00 -1.6474E+01 O6 289 15.999400 -0.847600 -1.5862E+01 -5.9521E+00 1.6230E+00 H1 290 1.008000 0.423800 -1.4943E+01 -6.2847E+00 1.8366E+00 H2 291 1.008000 0.423800 -1.6516E+01 -6.7046E+00 1.7029E+00 O6 292 15.999400 -0.847600 -4.2476E+00 -6.2354E+00 -3.5313E+00 H1 293 1.008000 0.423800 -4.8541E+00 -5.9355E+00 -2.7949E+00 H2 294 1.008000 0.423800 -4.7947E+00 -6.5795E+00 -4.2943E+00 O6 295 15.999400 -0.847600 1.8815E+01 8.7029E+00 -6.9523E-01 H1 296 1.008000 0.423800 1.9413E+01 8.4678E+00 -1.4614E+00 H2 297 1.008000 0.423800 1.8278E+01 9.5139E+00 -9.2813E-01 O6 298 15.999400 -0.847600 7.8253E+00 7.6341E+00 -1.0546E+01 H1 299 1.008000 0.423800 7.1502E+00 6.9145E+00 -1.0384E+01 H2 300 1.008000 0.423800 7.8662E+00 7.8381E+00 -1.1524E+01 O6 301 15.999400 -0.847600 1.5378E-01 -6.6935E+00 -1.8729E+01 H1 302 1.008000 0.423800 -6.9431E-01 -6.2278E+00 -1.8982E+01 H2 303 1.008000 0.423800 3.6719E-01 -7.3915E+00 -1.9412E+01 O6 304 15.999400 -0.847600 2.9564E+00 -1.0399E+00 -3.7408E+00 H1 305 1.008000 0.423800 3.1823E+00 -1.9058E+00 -4.1873E+00 H2 306 1.008000 0.423800 3.4433E+00 -9.7725E-01 -2.8696E+00 O6 307 15.999400 -0.847600 1.0992E+01 -1.5449E+01 -1.1624E+01 H1 308 1.008000 0.423800 1.1154E+01 -1.5966E+01 -1.0783E+01 H2 309 1.008000 0.423800 1.0895E+01 -1.4478E+01 -1.1405E+01 O6 310 15.999400 -0.847600 8.7754E+00 -5.7152E+00 -1.0533E+01 H1 311 1.008000 0.423800 8.5790E+00 -4.8276E+00 -1.0116E+01 H2 312 1.008000 0.423800 9.3384E+00 -6.2584E+00 -9.9101E+00 O6 313 15.999400 -0.847600 -9.8866E+00 -6.4635E+00 2.6510E+00 H1 314 1.008000 0.423800 -9.3565E+00 -7.3113E+00 2.6331E+00 H2 315 1.008000 0.423800 -1.0547E+01 -6.4674E+00 1.9000E+00 O6 316 15.999400 -0.847600 -1.3660E+01 1.7329E+01 -1.2326E+00 H1 317 1.008000 0.423800 -1.2753E+01 1.7084E+01 -8.9029E-01 H2 318 1.008000 0.423800 -1.4269E+01 1.7513E+01 -4.6102E-01 O6 319 15.999400 -0.847600 1.4869E+01 -8.8904E+00 1.5444E+01 H1 320 1.008000 0.423800 1.4873E+01 -7.8945E+00 1.5354E+01 H2 321 1.008000 0.423800 1.5716E+01 -9.1889E+00 1.5884E+01 O6 322 15.999400 -0.847600 1.7709E+01 -1.8356E+01 -1.4115E+01 H1 323 1.008000 0.423800 1.7860E+01 -1.9062E+01 -1.4807E+01 H2 324 1.008000 0.423800 1.8546E+01 -1.8226E+01 -1.3584E+01 O6 325 15.999400 -0.847600 4.5569E-01 -1.4859E+01 -1.7080E+01 H1 326 1.008000 0.423800 1.4542E+00 -1.4905E+01 -1.7108E+01 H2 327 1.008000 0.423800 1.5917E-01 -1.4607E+01 -1.6159E+01 O6 328 15.999400 -0.847600 -2.0073E+00 1.6582E+01 -5.9727E+00 H1 329 1.008000 0.423800 -2.6206E+00 1.6001E+01 -5.4373E+00 H2 330 1.008000 0.423800 -2.3139E+00 1.6602E+01 -6.9243E+00 O6 331 15.999400 -0.847600 1.1735E+01 -4.7798E+00 -8.9318E+00 H1 332 1.008000 0.423800 1.2329E+01 -5.5514E+00 -8.7027E+00 H2 333 1.008000 0.423800 1.0984E+01 -4.7305E+00 -8.2738E+00 O6 334 15.999400 -0.847600 -1.6552E+01 -1.6884E+01 -1.6786E+01 H1 335 1.008000 0.423800 -1.6981E+01 -1.6402E+01 -1.7550E+01 H2 336 1.008000 0.423800 -1.7261E+01 -1.7251E+01 -1.6184E+01 O6 337 15.999400 -0.847600 1.2562E+00 -4.9031E+00 1.6456E+01 H1 338 1.008000 0.423800 8.7042E-01 -5.8255E+00 1.6477E+01 H2 339 1.008000 0.423800 6.3839E-01 -4.2726E+00 1.6926E+01 O6 340 15.999400 -0.847600 -1.1061E+00 9.2969E-01 1.4635E+01 H1 341 1.008000 0.423800 -1.3728E+00 1.1399E+00 1.3694E+01 H2 342 1.008000 0.423800 -4.2854E-01 1.5962E+00 1.4946E+01 O6 343 15.999400 -0.847600 3.1863E-01 -1.6932E+01 -1.4115E+00 H1 344 1.008000 0.423800 9.4920E-02 -1.6322E+01 -6.5142E-01 H2 345 1.008000 0.423800 -4.4214E-01 -1.6949E+01 -2.0603E+00 O6 346 15.999400 -0.847600 1.6087E+01 -7.7177E+00 -5.3582E+00 H1 347 1.008000 0.423800 1.6590E+01 -7.1451E+00 -6.0050E+00 H2 348 1.008000 0.423800 1.6698E+01 -8.0031E+00 -4.6198E+00 O6 349 15.999400 -0.847600 -6.2750E+00 1.8757E+01 1.7812E+01 H1 350 1.008000 0.423800 -6.6287E+00 1.8299E+01 1.8628E+01 H2 351 1.008000 0.423800 -6.7135E+00 -1.9447E+01 1.7715E+01 O6 352 15.999400 -0.847600 -1.1903E+01 -1.7685E+01 1.7065E+01 H1 353 1.008000 0.423800 -1.2331E+01 -1.7572E+01 1.6169E+01 H2 354 1.008000 0.423800 -1.2430E+01 -1.7184E+01 1.7752E+01 O6 355 15.999400 -0.847600 7.3239E+00 -5.8507E+00 -3.5010E+00 H1 356 1.008000 0.423800 7.6505E+00 -6.6015E+00 -2.9268E+00 H2 357 1.008000 0.423800 7.5439E+00 -6.0425E+00 -4.4574E+00 O6 358 15.999400 -0.847600 1.4266E+01 -1.4256E+01 4.1924E-01 H1 359 1.008000 0.423800 1.4502E+01 -1.5220E+01 2.9747E-01 H2 360 1.008000 0.423800 1.5101E+01 -1.3705E+01 4.1126E-01 O6 361 15.999400 -0.847600 -1.0696E+01 -8.3000E+00 5.3245E+00 H1 362 1.008000 0.423800 -1.1047E+01 -7.4451E+00 5.7066E+00 H2 363 1.008000 0.423800 -9.7451E+00 -8.4264E+00 5.6085E+00 O6 364 15.999400 -0.847600 7.7581E+00 5.4945E-01 -3.2850E+00 H1 365 1.008000 0.423800 7.9179E+00 1.5301E+00 -3.1716E+00 H2 366 1.008000 0.423800 6.9286E+00 4.0726E-01 -3.8251E+00 O6 367 15.999400 -0.847600 3.5717E+00 -1.0392E+01 -7.2717E+00 H1 368 1.008000 0.423800 3.4873E+00 -1.1370E+01 -7.0821E+00 H2 369 1.008000 0.423800 3.3662E+00 -1.0220E+01 -8.2352E+00 O6 370 15.999400 -0.847600 -1.9223E+01 9.7578E+00 -8.7820E+00 H1 371 1.008000 0.423800 1.9170E+01 9.5053E+00 -8.1188E+00 H2 372 1.008000 0.423800 -1.8348E+01 9.8720E+00 -8.3114E+00 O6 373 15.999400 -0.847600 2.3217E+00 -1.3173E+01 -7.6073E+00 H1 374 1.008000 0.423800 1.4555E+00 -1.3530E+01 -7.2576E+00 H2 375 1.008000 0.423800 2.2899E+00 -1.3141E+01 -8.6063E+00 O6 376 15.999400 -0.847600 -1.5050E+01 1.8494E+01 1.7777E+01 H1 377 1.008000 0.423800 -1.5566E+01 1.7693E+01 1.7474E+01 H2 378 1.008000 0.423800 -1.5675E+01 1.9158E+01 1.8187E+01 O6 379 15.999400 -0.847600 -1.3108E+01 -4.5820E+00 1.3178E+01 H1 380 1.008000 0.423800 -1.3004E+01 -4.0369E+00 1.2346E+01 H2 381 1.008000 0.423800 -1.2608E+01 -5.4425E+00 1.3077E+01 O6 382 15.999400 -0.847600 6.9284E+00 1.9436E+01 -1.5914E+01 H1 383 1.008000 0.423800 7.0629E+00 1.8522E+01 -1.5533E+01 H2 384 1.008000 0.423800 6.4532E+00 1.9366E+01 -1.6791E+01 O6 385 15.999400 -0.847600 2.4378E+00 -1.7575E+01 -1.1967E+01 H1 386 1.008000 0.423800 3.2165E+00 -1.8142E+01 -1.2236E+01 H2 387 1.008000 0.423800 1.5987E+00 -1.8117E+01 -1.2015E+01 O6 388 15.999400 -0.847600 -1.9536E+01 1.8976E+01 1.9916E+00 H1 389 1.008000 0.423800 1.8729E+01 1.8747E+01 1.4878E+00 H2 390 1.008000 0.423800 1.9458E+01 -1.9222E+01 2.4161E+00 O6 391 15.999400 -0.847600 -9.9703E+00 -4.0822E+00 -1.4837E+01 H1 392 1.008000 0.423800 -9.0495E+00 -3.8346E+00 -1.4536E+01 H2 393 1.008000 0.423800 -1.0335E+01 -4.7971E+00 -1.4241E+01 O6 394 15.999400 -0.847600 -6.6893E+00 -4.7507E+00 -1.3398E+01 H1 395 1.008000 0.423800 -5.7847E+00 -5.0383E+00 -1.3713E+01 H2 396 1.008000 0.423800 -6.6512E+00 -3.7966E+00 -1.3101E+01 O6 397 15.999400 -0.847600 1.0470E+01 -1.3631E+01 1.6018E+01 H1 398 1.008000 0.423800 1.1377E+01 -1.3324E+01 1.6307E+01 H2 399 1.008000 0.423800 1.0511E+01 -1.4597E+01 1.5762E+01 O6 400 15.999400 -0.847600 1.4260E+01 -1.0289E+01 -3.1259E+00 H1 401 1.008000 0.423800 1.3748E+01 -1.1143E+01 -3.0336E+00 H2 402 1.008000 0.423800 1.4959E+01 -1.0241E+01 -2.4122E+00 O6 403 15.999400 -0.847600 1.3163E+00 7.0932E+00 2.5153E+00 H1 404 1.008000 0.423800 1.9641E+00 7.7217E+00 2.0847E+00 H2 405 1.008000 0.423800 1.4130E+00 6.1847E+00 2.1087E+00 O6 406 15.999400 -0.847600 -1.0291E+01 -1.7944E+01 4.2673E+00 H1 407 1.008000 0.423800 -1.1091E+01 -1.8302E+01 4.7486E+00 H2 408 1.008000 0.423800 -9.4613E+00 -1.8197E+01 4.7650E+00 O6 409 15.999400 -0.847600 -1.6654E+01 -1.9164E+01 7.7714E+00 H1 410 1.008000 0.423800 -1.7000E+01 1.9541E+01 6.9194E+00 H2 411 1.008000 0.423800 -1.7382E+01 -1.9162E+01 8.4576E+00 O6 412 15.999400 -0.847600 1.5870E+01 -1.4016E+01 -1.8038E+01 H1 413 1.008000 0.423800 1.5362E+01 -1.3742E+01 -1.7221E+01 H2 414 1.008000 0.423800 1.5959E+01 -1.5012E+01 -1.8058E+01 O6 415 15.999400 -0.847600 -7.2525E+00 3.9094E-01 -7.6107E+00 H1 416 1.008000 0.423800 -7.3015E+00 1.0011E-01 -6.6552E+00 H2 417 1.008000 0.423800 -6.3574E+00 1.5135E-01 -7.9866E+00 O6 418 15.999400 -0.847600 -1.1721E+01 -7.1453E+00 1.3151E+01 H1 419 1.008000 0.423800 -1.0823E+01 -7.2398E+00 1.3581E+01 H2 420 1.008000 0.423800 -1.1641E+01 -7.3248E+00 1.2171E+01 O6 421 15.999400 -0.847600 1.3339E+01 -1.8363E+01 -9.8213E+00 H1 422 1.008000 0.423800 1.3410E+01 -1.9303E+01 -1.0155E+01 H2 423 1.008000 0.423800 1.2375E+01 -1.8124E+01 -9.7009E+00 O6 424 15.999400 -0.847600 8.7969E+00 1.4139E+01 -6.4520E+00 H1 425 1.008000 0.423800 9.3831E+00 1.3463E+01 -6.8991E+00 H2 426 1.008000 0.423800 8.1225E+00 1.4480E+01 -7.1068E+00 O6 427 15.999400 -0.847600 1.8425E+01 -1.2250E+01 -2.0415E+00 H1 428 1.008000 0.423800 1.8656E+01 -1.2550E+01 -1.1160E+00 H2 429 1.008000 0.423800 1.7693E+01 -1.2825E+01 -2.4058E+00 O6 430 15.999400 -0.847600 1.5222E+00 -9.0689E+00 -3.5184E+00 H1 431 1.008000 0.423800 1.1946E+00 -9.9713E+00 -3.7984E+00 H2 432 1.008000 0.423800 2.1456E+00 -9.1667E+00 -2.7427E+00 O6 433 15.999400 -0.847600 1.7871E+01 -1.3939E+00 -1.4525E+00 H1 434 1.008000 0.423800 1.8061E+01 -4.8172E-01 -1.0895E+00 H2 435 1.008000 0.423800 1.6920E+01 -1.4387E+00 -1.7599E+00 O6 436 15.999400 -0.847600 -7.0473E+00 -1.3778E+01 -4.0687E-01 H1 437 1.008000 0.423800 -6.6329E+00 -1.2909E+01 -1.3763E-01 H2 438 1.008000 0.423800 -6.4942E+00 -1.4203E+01 -1.1234E+00 O6 439 15.999400 -0.847600 7.1732E+00 -1.1989E+01 6.3029E+00 H1 440 1.008000 0.423800 6.6393E+00 -1.2829E+01 6.2028E+00 H2 441 1.008000 0.423800 6.9065E+00 -1.1338E+01 5.5924E+00 O6 442 15.999400 -0.847600 1.0263E+01 1.9450E+01 1.2029E+01 H1 443 1.008000 0.423800 1.0179E+01 -1.9343E+01 1.2978E+01 H2 444 1.008000 0.423800 1.0601E+01 -1.8894E+01 1.1466E+01 O6 445 15.999400 -0.847600 -1.3213E+01 -1.5362E+01 3.5621E+00 H1 446 1.008000 0.423800 -1.2415E+01 -1.5581E+01 3.0007E+00 H2 447 1.008000 0.423800 -1.3179E+01 -1.5892E+01 4.4098E+00 O6 448 15.999400 -0.847600 1.2598E+01 -1.8892E+01 7.9140E+00 H1 449 1.008000 0.423800 1.2970E+01 -1.9004E+01 8.8355E+00 H2 450 1.008000 0.423800 1.1921E+01 -1.8156E+01 7.9146E+00 O6 451 15.999400 -0.847600 -1.1157E+00 -1.5712E+01 1.0616E+01 H1 452 1.008000 0.423800 -1.6783E+00 -1.5560E+01 9.8036E+00 H2 453 1.008000 0.423800 -1.4913E-01 -1.5694E+01 1.0361E+01 O6 454 15.999400 -0.847600 5.5417E-02 7.0499E+00 1.5226E+01 H1 455 1.008000 0.423800 -8.2704E-02 7.8340E+00 1.4621E+01 H2 456 1.008000 0.423800 8.9955E-01 7.1757E+00 1.5747E+01 O6 457 15.999400 -0.847600 4.1783E+00 -1.3212E+01 -1.5572E+01 H1 458 1.008000 0.423800 3.7899E+00 -1.2311E+01 -1.5764E+01 H2 459 1.008000 0.423800 5.0319E+00 -1.3323E+01 -1.6081E+01 O6 460 15.999400 -0.847600 2.4274E+00 -5.9509E+00 -2.8871E-01 H1 461 1.008000 0.423800 2.3552E+00 -5.7376E+00 6.8563E-01 H2 462 1.008000 0.423800 2.6706E+00 -6.9142E+00 -4.0187E-01 O6 463 15.999400 -0.847600 3.5386E+00 1.5961E+01 -7.5658E+00 H1 464 1.008000 0.423800 2.7470E+00 1.6283E+01 -7.0465E+00 H2 465 1.008000 0.423800 4.1782E+00 1.6717E+01 -7.7017E+00 O6 466 15.999400 -0.847600 -1.9005E+01 -7.0304E+00 7.8161E+00 H1 467 1.008000 0.423800 -1.9337E+01 -6.1367E+00 8.1180E+00 H2 468 1.008000 0.423800 -1.9185E+01 -7.1399E+00 6.8385E+00 O6 469 15.999400 -0.847600 -1.6739E+01 1.4792E+01 -4.8522E-01 H1 470 1.008000 0.423800 -1.6877E+01 1.5669E+01 -2.5493E-02 H2 471 1.008000 0.423800 -1.5932E+01 1.4340E+01 -1.0623E-01 O6 472 15.999400 -0.847600 -1.4854E+01 -1.0411E+01 3.4481E+00 H1 473 1.008000 0.423800 -1.5752E+01 -1.0794E+01 3.6623E+00 H2 474 1.008000 0.423800 -1.4859E+01 -1.0048E+01 2.5162E+00 O6 475 15.999400 -0.847600 5.2146E+00 1.5633E+01 -2.8445E+00 H1 476 1.008000 0.423800 4.8565E+00 1.5800E+01 -1.9258E+00 H2 477 1.008000 0.423800 4.5976E+00 1.6035E+01 -3.5208E+00 O6 478 15.999400 -0.847600 1.4879E+01 -3.4285E+00 5.7709E+00 H1 479 1.008000 0.423800 1.5830E+01 -3.1229E+00 5.8238E+00 H2 480 1.008000 0.423800 1.4300E+01 -2.6673E+00 5.4788E+00 O6 481 15.999400 -0.847600 -1.4952E+01 -1.8810E+01 1.0743E+00 H1 482 1.008000 0.423800 -1.5734E+01 -1.8283E+01 7.4215E-01 H2 483 1.008000 0.423800 -1.5172E+01 1.9312E+01 1.0474E+00 O6 484 15.999400 -0.847600 1.3394E+01 1.3408E-01 -1.1476E+01 H1 485 1.008000 0.423800 1.2992E+01 -7.3586E-03 -1.0571E+01 H2 486 1.008000 0.423800 1.3504E+01 -7.4831E-01 -1.1934E+01 O6 487 15.999400 -0.847600 -2.0794E+00 -2.4090E+00 -4.8761E+00 H1 488 1.008000 0.423800 -1.3630E+00 -3.1061E+00 -4.8466E+00 H2 489 1.008000 0.423800 -2.9455E+00 -2.8323E+00 -5.1417E+00 O6 490 15.999400 -0.847600 -1.0429E+01 1.8753E+01 -6.1674E+00 H1 491 1.008000 0.423800 -1.0774E+01 1.7874E+01 -5.8383E+00 H2 492 1.008000 0.423800 -1.0892E+01 1.9495E+01 -5.6828E+00 O6 493 15.999400 -0.847600 -1.3843E+01 -4.8622E+00 -1.3399E+01 H1 494 1.008000 0.423800 -1.4227E+01 -5.7856E+00 -1.3393E+01 H2 495 1.008000 0.423800 -1.4586E+01 -4.1926E+00 -1.3391E+01 O6 496 15.999400 -0.847600 -1.5441E+01 4.8933E-01 4.3239E+00 H1 497 1.008000 0.423800 -1.5511E+01 6.5544E-01 5.3075E+00 H2 498 1.008000 0.423800 -1.5886E+01 -3.7808E-01 4.1002E+00 O6 499 15.999400 -0.847600 -1.3150E+01 1.5240E+01 -8.8863E+00 H1 500 1.008000 0.423800 -1.3850E+01 1.5937E+01 -8.7320E+00 H2 501 1.008000 0.423800 -1.2665E+01 1.5060E+01 -8.0307E+00 O6 502 15.999400 -0.847600 -1.7710E+01 7.3538E+00 4.7708E+00 H1 503 1.008000 0.423800 -1.7574E+01 7.1843E+00 5.7470E+00 H2 504 1.008000 0.423800 -1.7215E+01 6.6648E+00 4.2409E+00 O6 505 15.999400 -0.847600 -6.9523E+00 -2.1824E-01 7.6436E+00 H1 506 1.008000 0.423800 -6.5160E+00 6.6029E-01 7.4490E+00 H2 507 1.008000 0.423800 -6.2533E+00 -9.3042E-01 7.7081E+00 O6 508 15.999400 -0.847600 1.7811E+01 2.2250E+00 7.8097E+00 H1 509 1.008000 0.423800 1.7943E+01 1.8330E+00 8.7202E+00 H2 510 1.008000 0.423800 1.7974E+01 3.2109E+00 7.8444E+00 O6 511 15.999400 -0.847600 2.9783E+00 -1.7644E+01 1.1506E+01 H1 512 1.008000 0.423800 3.9159E+00 -1.7405E+01 1.1760E+01 H2 513 1.008000 0.423800 2.6600E+00 -1.7026E+01 1.0787E+01 O6 514 15.999400 -0.847600 1.6941E+01 1.3062E+01 8.9685E+00 H1 515 1.008000 0.423800 1.7263E+01 1.3769E+01 8.3395E+00 H2 516 1.008000 0.423800 1.7186E+01 1.2161E+01 8.6111E+00 O6 517 15.999400 -0.847600 1.0292E+01 1.7226E+01 1.0688E+01 H1 518 1.008000 0.423800 1.0267E+01 1.8118E+01 1.1139E+01 H2 519 1.008000 0.423800 9.5523E+00 1.7170E+01 1.0018E+01 O6 520 15.999400 -0.847600 1.3296E+01 1.0956E+01 -7.1148E+00 H1 521 1.008000 0.423800 1.4077E+01 1.1132E+01 -6.5153E+00 H2 522 1.008000 0.423800 1.3408E+01 1.1469E+01 -7.9662E+00 O6 523 15.999400 -0.847600 -1.5095E+01 1.5407E+01 1.4819E+01 H1 524 1.008000 0.423800 -1.4700E+01 1.5900E+01 1.4043E+01 H2 525 1.008000 0.423800 -1.4361E+01 1.5015E+01 1.5373E+01 O6 526 15.999400 -0.847600 7.3490E+00 -1.6549E+00 1.2208E+01 H1 527 1.008000 0.423800 7.6851E+00 -2.1051E+00 1.3035E+01 H2 528 1.008000 0.423800 6.3519E+00 -1.5892E+00 1.2246E+01 O6 529 15.999400 -0.847600 -7.2807E+00 -1.5325E+01 4.1151E+00 H1 530 1.008000 0.423800 -6.7433E+00 -1.5346E+01 3.2720E+00 H2 531 1.008000 0.423800 -8.2545E+00 -1.5301E+01 3.8890E+00 O6 532 15.999400 -0.847600 6.1057E+00 7.4377E+00 -7.6547E+00 H1 533 1.008000 0.423800 6.4494E+00 7.3926E+00 -6.7167E+00 H2 534 1.008000 0.423800 6.3762E+00 8.3075E+00 -8.0673E+00 O6 535 15.999400 -0.847600 -8.4054E+00 8.9671E+00 -1.4038E+01 H1 536 1.008000 0.423800 -8.9568E+00 9.4055E+00 -1.4748E+01 H2 537 1.008000 0.423800 -7.7504E+00 9.6269E+00 -1.3670E+01 O6 538 15.999400 -0.847600 2.6343E+00 -7.0264E+00 6.7335E+00 H1 539 1.008000 0.423800 1.7802E+00 -6.7313E+00 6.3052E+00 H2 540 1.008000 0.423800 2.8265E+00 -6.4483E+00 7.5265E+00 O6 541 15.999400 -0.847600 9.7119E+00 9.0381E+00 7.5713E+00 H1 542 1.008000 0.423800 9.7661E+00 9.1945E+00 8.5575E+00 H2 543 1.008000 0.423800 9.4307E+00 8.0942E+00 7.3985E+00 O6 544 15.999400 -0.847600 1.7898E+01 -9.8358E+00 4.9006E+00 H1 545 1.008000 0.423800 1.7405E+01 -9.0578E+00 5.2888E+00 H2 546 1.008000 0.423800 1.8179E+01 -1.0453E+01 5.6357E+00 O6 547 15.999400 -0.847600 1.8132E+01 1.4575E+01 -8.5508E+00 H1 548 1.008000 0.423800 1.7414E+01 1.3983E+01 -8.9183E+00 H2 549 1.008000 0.423800 1.8305E+01 1.5324E+01 -9.1895E+00 O6 550 15.999400 -0.847600 -8.5055E+00 -1.0750E+01 4.1971E+00 H1 551 1.008000 0.423800 -8.2761E+00 -1.0253E+01 5.0338E+00 H2 552 1.008000 0.423800 -9.1318E+00 -1.1499E+01 4.4154E+00 O6 553 15.999400 -0.847600 1.1193E+01 -1.0649E+01 -1.9161E+00 H1 554 1.008000 0.423800 1.1831E+01 -1.1359E+01 -2.2110E+00 H2 555 1.008000 0.423800 1.1179E+01 -1.0606E+01 -9.1715E-01 O6 556 15.999400 -0.847600 7.7923E+00 8.9418E+00 4.8900E+00 H1 557 1.008000 0.423800 8.7833E+00 9.0265E+00 4.9934E+00 H2 558 1.008000 0.423800 7.5619E+00 8.8900E+00 3.9183E+00 O6 559 15.999400 -0.847600 -2.4347E+00 -1.2620E+01 -4.0832E-01 H1 560 1.008000 0.423800 -1.5340E+00 -1.2704E+01 -8.3456E-01 H2 561 1.008000 0.423800 -2.8947E+00 -1.1805E+01 -7.5925E-01 O6 562 15.999400 -0.847600 -8.7288E+00 6.6887E+00 9.5423E+00 H1 563 1.008000 0.423800 -9.5767E+00 6.5334E+00 9.0354E+00 H2 564 1.008000 0.423800 -8.9458E+00 6.9413E+00 1.0485E+01 O6 565 15.999400 -0.847600 -1.6400E+01 1.2564E+01 -1.3728E+01 H1 566 1.008000 0.423800 -1.5420E+01 1.2605E+01 -1.3923E+01 H2 567 1.008000 0.423800 -1.6910E+01 1.2535E+01 -1.4588E+01 O6 568 15.999400 -0.847600 4.3506E+00 -1.6966E+01 -9.7036E+00 H1 569 1.008000 0.423800 4.8625E+00 -1.6394E+01 -1.0344E+01 H2 570 1.008000 0.423800 3.3724E+00 -1.6782E+01 -9.8010E+00 O6 571 15.999400 -0.847600 -1.4225E+01 1.6030E+01 3.2547E+00 H1 572 1.008000 0.423800 -1.4672E+01 1.6114E+01 4.1455E+00 H2 573 1.008000 0.423800 -1.3650E+01 1.5212E+01 3.2468E+00 O6 574 15.999400 -0.847600 5.5996E+00 1.3111E+01 -7.9929E-01 H1 575 1.008000 0.423800 4.9037E+00 1.3377E+01 -1.4664E+00 H2 576 1.008000 0.423800 6.5051E+00 1.3352E+01 -1.1479E+00 O6 577 15.999400 -0.847600 1.1668E+01 8.1162E+00 1.1554E+01 H1 578 1.008000 0.423800 1.2290E+01 8.1045E+00 1.2337E+01 H2 579 1.008000 0.423800 1.1192E+01 7.2385E+00 1.1493E+01 O6 580 15.999400 -0.847600 -1.6565E+01 -7.8272E+00 8.3110E+00 H1 581 1.008000 0.423800 -1.6267E+01 -8.7817E+00 8.3122E+00 H2 582 1.008000 0.423800 -1.7564E+01 -7.7903E+00 8.2949E+00 O6 583 15.999400 -0.847600 1.7213E+01 -1.4617E+01 6.5147E+00 H1 584 1.008000 0.423800 1.6903E+01 -1.4840E+01 5.5905E+00 H2 585 1.008000 0.423800 1.6747E+01 -1.5206E+01 7.1741E+00 O6 586 15.999400 -0.847600 -8.3446E+00 1.9540E+01 -3.4869E+00 H1 587 1.008000 0.423800 -8.6964E+00 1.8898E+01 -2.8060E+00 H2 588 1.008000 0.423800 -9.1097E+00 -1.9130E+01 -3.9690E+00 O6 589 15.999400 -0.847600 1.8217E+01 1.6643E+00 -1.1566E+01 H1 590 1.008000 0.423800 1.8132E+01 1.9782E+00 -1.2512E+01 H2 591 1.008000 0.423800 1.8483E+01 2.4316E+00 -1.0983E+01 O6 592 15.999400 -0.847600 -9.0960E+00 1.3793E+01 -1.9294E+01 H1 593 1.008000 0.423800 -1.0025E+01 1.3864E+01 1.9440E+01 H2 594 1.008000 0.423800 -9.1149E+00 1.3293E+01 -1.8427E+01 O6 595 15.999400 -0.847600 9.0016E+00 2.6781E+00 -1.3448E+01 H1 596 1.008000 0.423800 9.4666E+00 1.9284E+00 -1.2977E+01 H2 597 1.008000 0.423800 8.5321E+00 3.2526E+00 -1.2777E+01 O6 598 15.999400 -0.847600 3.2021E+00 1.8107E+01 -4.1443E+00 H1 599 1.008000 0.423800 3.4294E+00 1.8517E+01 -3.2613E+00 H2 600 1.008000 0.423800 2.2240E+00 1.7901E+01 -4.1741E+00 O6 601 15.999400 -0.847600 -1.0977E+01 1.7049E+01 1.8080E-01 H1 602 1.008000 0.423800 -1.1518E+01 1.7381E+01 9.5292E-01 H2 603 1.008000 0.423800 -1.0687E+01 1.6108E+01 3.5767E-01 O6 604 15.999400 -0.847600 1.6856E+01 6.3425E+00 -1.2526E+01 H1 605 1.008000 0.423800 1.7364E+01 6.2819E+00 -1.1667E+01 H2 606 1.008000 0.423800 1.6001E+01 5.8300E+00 -1.2445E+01 O6 607 15.999400 -0.847600 7.1717E+00 1.9039E+01 1.1522E+01 H1 608 1.008000 0.423800 7.2098E+00 1.9285E+01 1.0553E+01 H2 609 1.008000 0.423800 7.6964E+00 1.8201E+01 1.1673E+01 O6 610 15.999400 -0.847600 -1.6253E+01 -7.8009E+00 -8.6066E+00 H1 611 1.008000 0.423800 -1.6469E+01 -8.0832E+00 -9.5413E+00 H2 612 1.008000 0.423800 -1.5512E+01 -8.3693E+00 -8.2499E+00 O6 613 15.999400 -0.847600 -8.0812E-01 1.4035E+01 -4.4364E+00 H1 614 1.008000 0.423800 -2.5822E-01 1.4503E+01 -3.7448E+00 H2 615 1.008000 0.423800 -2.1103E-01 1.3696E+01 -5.1633E+00 O6 616 15.999400 -0.847600 -4.2570E+00 -1.0923E+00 -1.4221E+01 H1 617 1.008000 0.423800 -3.7297E+00 -1.8937E+00 -1.4503E+01 H2 618 1.008000 0.423800 -5.0400E+00 -1.3851E+00 -1.3672E+01 O6 619 15.999400 -0.847600 -9.7021E+00 -7.0744E+00 -1.5564E+00 H1 620 1.008000 0.423800 -9.0030E+00 -7.4281E+00 -9.3499E-01 H2 621 1.008000 0.423800 -1.0496E+01 -7.6828E+00 -1.5461E+00 O6 622 15.999400 -0.847600 1.3583E+01 2.1393E+00 -1.6362E+01 H1 623 1.008000 0.423800 1.3810E+01 3.0523E+00 -1.6023E+01 H2 624 1.008000 0.423800 1.2700E+01 1.8552E+00 -1.5988E+01 O6 625 15.999400 -0.847600 7.8493E+00 1.3741E+01 -2.0262E+00 H1 626 1.008000 0.423800 8.0606E+00 1.4664E+01 -2.3490E+00 H2 627 1.008000 0.423800 7.6242E+00 1.3159E+01 -2.8070E+00 O6 628 15.999400 -0.847600 1.5854E+01 -1.7674E+01 -1.0712E+01 H1 629 1.008000 0.423800 1.6034E+01 -1.8436E+01 -1.1334E+01 H2 630 1.008000 0.423800 1.5449E+01 -1.8023E+01 -9.8668E+00 O6 631 15.999400 -0.847600 4.6308E+00 -1.7152E+00 1.3386E+01 H1 632 1.008000 0.423800 3.7015E+00 -2.0553E+00 1.3242E+01 H2 633 1.008000 0.423800 5.0048E+00 -2.1123E+00 1.4224E+01 O6 634 15.999400 -0.847600 -1.7612E+01 -1.2342E+00 -1.2507E+01 H1 635 1.008000 0.423800 -1.8478E+01 -1.6739E+00 -1.2744E+01 H2 636 1.008000 0.423800 -1.7750E+01 -6.2442E-01 -1.1727E+01 O6 637 15.999400 -0.847600 1.5505E+01 1.6164E+01 -9.6057E+00 H1 638 1.008000 0.423800 1.6363E+01 1.6191E+01 -1.0119E+01 H2 639 1.008000 0.423800 1.5572E+01 1.6770E+01 -8.8135E+00 O6 640 15.999400 -0.847600 -1.1065E+01 7.6659E+00 -1.9309E+01 H1 641 1.008000 0.423800 -1.0492E+01 8.3235E+00 1.9299E+01 H2 642 1.008000 0.423800 -1.1819E+01 7.3765E+00 1.9199E+01 O6 643 15.999400 -0.847600 -1.0381E+01 1.2315E+01 6.3982E+00 H1 644 1.008000 0.423800 -1.0430E+01 1.2585E+01 7.3599E+00 H2 645 1.008000 0.423800 -1.0437E+01 1.3129E+01 5.8204E+00 O6 646 15.999400 -0.847600 1.5776E+01 1.6673E+01 -1.6147E+01 H1 647 1.008000 0.423800 1.5297E+01 1.5843E+01 -1.6435E+01 H2 648 1.008000 0.423800 1.5355E+01 1.7468E+01 -1.6584E+01 O6 649 15.999400 -0.847600 -1.0021E+00 -4.6414E-01 -6.4522E+00 H1 650 1.008000 0.423800 -1.4795E+00 -1.0375E+00 -5.7863E+00 H2 651 1.008000 0.423800 -1.6534E+00 1.6257E-01 -6.8800E+00 O6 652 15.999400 -0.847600 1.1225E+01 1.0740E+01 6.4786E+00 H1 653 1.008000 0.423800 1.1150E+01 1.0655E+01 5.4851E+00 H2 654 1.008000 0.423800 1.0603E+01 1.0091E+01 6.9169E+00 O6 655 15.999400 -0.847600 -1.9492E+01 1.5785E+01 1.0307E+01 H1 656 1.008000 0.423800 1.9315E+01 1.6708E+01 1.0561E+01 H2 657 1.008000 0.423800 1.9031E+01 1.5114E+01 1.0776E+01 O6 658 15.999400 -0.847600 1.1409E+01 5.9293E+00 1.7187E+01 H1 659 1.008000 0.423800 1.1516E+01 4.9808E+00 1.6889E+01 H2 660 1.008000 0.423800 1.0532E+01 6.0341E+00 1.7656E+01 O6 661 15.999400 -0.847600 4.8592E+00 1.3551E+01 -8.4940E+00 H1 662 1.008000 0.423800 4.8476E+00 1.4492E+01 -8.1565E+00 H2 663 1.008000 0.423800 5.5787E+00 1.3452E+01 -9.1814E+00 O6 664 15.999400 -0.847600 1.3630E+01 1.7409E+01 -1.4789E+00 H1 665 1.008000 0.423800 1.4584E+01 1.7129E+01 -1.3756E+00 H2 666 1.008000 0.423800 1.3065E+01 1.6605E+01 -1.6650E+00 O6 667 15.999400 -0.847600 1.2959E+01 -1.2909E+01 1.6854E+01 H1 668 1.008000 0.423800 1.3478E+01 -1.2863E+01 1.7708E+01 H2 669 1.008000 0.423800 1.3503E+01 -1.2517E+01 1.6113E+01 O6 670 15.999400 -0.847600 -1.9338E+01 -1.5039E+01 -1.5644E+01 H1 671 1.008000 0.423800 1.8865E+01 -1.4848E+01 -1.5241E+01 H2 672 1.008000 0.423800 -1.9451E+01 -1.5290E+01 -1.6605E+01 O6 673 15.999400 -0.847600 -2.1171E+00 1.3793E+01 1.6559E+01 H1 674 1.008000 0.423800 -1.8762E+00 1.3355E+01 1.7425E+01 H2 675 1.008000 0.423800 -3.0040E+00 1.4246E+01 1.6650E+01 O6 676 15.999400 -0.847600 1.5562E+01 1.1283E+00 -6.3447E+00 H1 677 1.008000 0.423800 1.6302E+01 8.8918E-01 -5.7167E+00 H2 678 1.008000 0.423800 1.5741E+01 7.2262E-01 -7.2410E+00 O6 679 15.999400 -0.847600 1.2186E+01 -2.3811E+00 3.2734E+00 H1 680 1.008000 0.423800 1.2274E+01 -3.3456E+00 3.5224E+00 H2 681 1.008000 0.423800 1.1657E+01 -2.3020E+00 2.4284E+00 O6 682 15.999400 -0.847600 -1.4130E+00 -1.1753E+01 1.2783E+01 H1 683 1.008000 0.423800 -1.5088E+00 -1.2723E+01 1.3006E+01 H2 684 1.008000 0.423800 -4.4362E-01 -1.1527E+01 1.2687E+01 O6 685 15.999400 -0.847600 -6.0330E+00 1.0046E+01 5.7288E+00 H1 686 1.008000 0.423800 -5.7757E+00 9.0888E+00 5.5943E+00 H2 687 1.008000 0.423800 -5.5018E+00 1.0431E+01 6.4835E+00 O6 688 15.999400 -0.847600 -8.2240E+00 -1.7327E+01 -1.6853E+01 H1 689 1.008000 0.423800 -8.4801E+00 -1.6915E+01 -1.5978E+01 H2 690 1.008000 0.423800 -7.6497E+00 -1.6690E+01 -1.7366E+01 O6 691 15.999400 -0.847600 -7.4964E+00 3.3877E+00 -1.9255E+01 H1 692 1.008000 0.423800 -8.3121E+00 3.8861E+00 -1.9549E+01 H2 693 1.008000 0.423800 -7.5198E+00 3.2652E+00 -1.8263E+01 O6 694 15.999400 -0.847600 2.4123E+00 6.4488E-01 6.2681E+00 H1 695 1.008000 0.423800 2.3122E+00 -3.2597E-01 6.0502E+00 H2 696 1.008000 0.423800 3.2547E+00 9.9351E-01 5.8573E+00 O6 697 15.999400 -0.847600 7.3424E+00 1.0110E+01 -1.9172E+01 H1 698 1.008000 0.423800 7.5051E+00 1.0441E+01 1.8997E+01 H2 699 1.008000 0.423800 6.9565E+00 1.0848E+01 -1.8618E+01 O6 700 15.999400 -0.847600 1.3577E+01 -1.4389E+01 9.9375E+00 H1 701 1.008000 0.423800 1.2844E+01 -1.3832E+01 9.5456E+00 H2 702 1.008000 0.423800 1.4446E+01 -1.3902E+01 9.8535E+00 O6 703 15.999400 -0.847600 1.3014E+01 1.5018E+01 -9.6958E+00 H1 704 1.008000 0.423800 1.3928E+01 1.5387E+01 -9.5254E+00 H2 705 1.008000 0.423800 1.2651E+01 1.5404E+01 -1.0544E+01 O6 706 15.999400 -0.847600 -1.0212E+01 9.7861E+00 7.0751E+00 H1 707 1.008000 0.423800 -9.3428E+00 9.3087E+00 7.2065E+00 H2 708 1.008000 0.423800 -1.0668E+01 9.8973E+00 7.9580E+00 O6 709 15.999400 -0.847600 1.8681E+01 -1.8076E+01 1.1944E+01 H1 710 1.008000 0.423800 1.9358E+01 -1.8775E+01 1.2174E+01 H2 711 1.008000 0.423800 1.9040E+01 -1.7173E+01 1.2178E+01 O6 712 15.999400 -0.847600 -1.1357E+01 -5.8275E+00 -1.3050E+01 H1 713 1.008000 0.423800 -1.2153E+01 -5.2381E+00 -1.2914E+01 H2 714 1.008000 0.423800 -1.1589E+01 -6.7658E+00 -1.2794E+01 O6 715 15.999400 -0.847600 1.7891E+01 1.9154E+01 8.9438E+00 H1 716 1.008000 0.423800 1.8387E+01 1.9461E+01 8.1312E+00 H2 717 1.008000 0.423800 1.7572E+01 1.8217E+01 8.8053E+00 O6 718 15.999400 -0.847600 -6.4414E+00 9.9245E+00 1.7331E+00 H1 719 1.008000 0.423800 -7.1276E+00 1.0411E+01 2.2739E+00 H2 720 1.008000 0.423800 -6.1794E+00 1.0484E+01 9.4642E-01 O6 721 15.999400 -0.847600 -7.2025E+00 -1.7031E+01 -5.2533E+00 H1 722 1.008000 0.423800 -6.5527E+00 -1.7618E+01 -4.7707E+00 H2 723 1.008000 0.423800 -7.3630E+00 -1.6201E+01 -4.7183E+00 O6 724 15.999400 -0.847600 -1.1370E+01 -1.8269E+01 -4.5671E+00 H1 725 1.008000 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-9.4860E+00 -1.8167E+01 O6 742 15.999400 -0.847600 -1.4346E+01 1.6487E+01 5.9068E+00 H1 743 1.008000 0.423800 -1.4728E+01 1.5595E+01 6.1514E+00 H2 744 1.008000 0.423800 -1.4181E+01 1.7018E+01 6.7378E+00 O6 745 15.999400 -0.847600 -9.1561E+00 -7.1530E+00 1.4471E+01 H1 746 1.008000 0.423800 -9.5951E+00 -7.4658E+00 1.5313E+01 H2 747 1.008000 0.423800 -8.6202E+00 -7.8999E+00 1.4077E+01 O6 748 15.999400 -0.847600 -7.3766E+00 -9.4640E+00 1.3801E+01 H1 749 1.008000 0.423800 -7.0894E+00 -1.0032E+01 1.4572E+01 H2 750 1.008000 0.423800 -6.5706E+00 -9.1565E+00 1.3295E+01 O6 751 15.999400 -0.847600 5.9602E+00 -7.6690E+00 -1.5995E+00 H1 752 1.008000 0.423800 5.7606E+00 -7.1898E+00 -7.4474E-01 H2 753 1.008000 0.423800 6.8921E+00 -8.0304E+00 -1.5692E+00 O6 754 15.999400 -0.847600 -5.3565E+00 -1.4938E+01 -2.2552E+00 H1 755 1.008000 0.423800 -4.6452E+00 -1.4615E+01 -2.8798E+00 H2 756 1.008000 0.423800 -4.9827E+00 -1.5654E+01 -1.6661E+00 O6 757 15.999400 -0.847600 5.7276E+00 -7.8181E+00 1.7009E+01 H1 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0.423800 1.6045E+00 9.2689E+00 -1.3903E+01 H2 792 1.008000 0.423800 1.3880E-01 8.5714E+00 -1.4081E+01 O6 793 15.999400 -0.847600 9.7541E+00 -6.2250E+00 -1.5340E+01 H1 794 1.008000 0.423800 1.0082E+01 -6.0012E+00 -1.6258E+01 H2 795 1.008000 0.423800 8.7582E+00 -6.3147E+00 -1.5355E+01 O6 796 15.999400 -0.847600 3.1063E+00 1.8991E+01 7.2653E+00 H1 797 1.008000 0.423800 2.9662E+00 1.8189E+01 6.6852E+00 H2 798 1.008000 0.423800 2.5374E+00 -1.9353E+01 6.9351E+00 O6 799 15.999400 -0.847600 1.6967E+01 -1.6607E+01 1.6449E+01 H1 800 1.008000 0.423800 1.7156E+01 -1.5870E+01 1.5801E+01 H2 801 1.008000 0.423800 1.6355E+01 -1.6272E+01 1.7166E+01 O6 802 15.999400 -0.847600 1.8778E+01 -1.2879E+00 1.8305E+01 H1 803 1.008000 0.423800 1.7884E+01 -1.0399E+00 1.8676E+01 H2 804 1.008000 0.423800 1.8981E+01 -2.2405E+00 1.8532E+01 O6 805 15.999400 -0.847600 1.8743E+01 -1.1986E+01 9.7480E+00 H1 806 1.008000 0.423800 1.8788E+01 -1.2127E+01 8.7590E+00 H2 807 1.008000 0.423800 1.7899E+01 -1.1500E+01 9.9774E+00 O6 808 15.999400 -0.847600 1.6038E+01 -3.7629E+00 -5.0488E+00 H1 809 1.008000 0.423800 1.6276E+01 -3.0219E+00 -5.6767E+00 H2 810 1.008000 0.423800 1.5081E+01 -4.0205E+00 -5.1851E+00 O6 811 15.999400 -0.847600 -2.7217E+00 1.2332E+01 -7.6503E+00 H1 812 1.008000 0.423800 -3.1810E+00 1.1560E+01 -7.2106E+00 H2 813 1.008000 0.423800 -3.2213E+00 1.3175E+01 -7.4506E+00 O6 814 15.999400 -0.847600 -5.7009E+00 -1.9185E+01 -3.6762E+00 H1 815 1.008000 0.423800 -5.2572E+00 1.9086E+01 -4.0227E+00 H2 816 1.008000 0.423800 -6.6883E+00 -1.9335E+01 -3.6229E+00 O6 817 15.999400 -0.847600 -1.2158E+01 1.0951E+01 1.2507E+01 H1 818 1.008000 0.423800 -1.2333E+01 1.0155E+01 1.1927E+01 H2 819 1.008000 0.423800 -1.2919E+01 1.1594E+01 1.2429E+01 O6 820 15.999400 -0.847600 1.4420E+01 5.8619E+00 8.7656E+00 H1 821 1.008000 0.423800 1.4467E+01 5.4163E+00 9.6596E+00 H2 822 1.008000 0.423800 1.3935E+01 6.7322E+00 8.8518E+00 O6 823 15.999400 -0.847600 9.9407E-01 -1.7416E+01 -1.4978E+01 H1 824 1.008000 0.423800 8.0140E-01 -1.7805E+01 -1.4077E+01 H2 825 1.008000 0.423800 1.8822E+00 -1.6957E+01 -1.4959E+01 O6 826 15.999400 -0.847600 -3.5031E+00 -5.9809E+00 1.9908E+00 H1 827 1.008000 0.423800 -3.8924E+00 -5.2071E+00 1.4910E+00 H2 828 1.008000 0.423800 -3.4502E+00 -5.7565E+00 2.9639E+00 O6 829 15.999400 -0.847600 -1.3619E+01 1.2497E+01 -1.4095E+01 H1 830 1.008000 0.423800 -1.3280E+01 1.3202E+01 -1.4718E+01 H2 831 1.008000 0.423800 -1.3241E+01 1.2649E+01 -1.3182E+01 O6 832 15.999400 -0.847600 8.6973E+00 -4.4432E+00 -1.6611E+00 H1 833 1.008000 0.423800 8.1065E+00 -4.8592E+00 -2.3524E+00 H2 834 1.008000 0.423800 9.6322E+00 -4.3870E+00 -2.0117E+00 O6 835 15.999400 -0.847600 -1.8889E+01 -6.1967E-01 1.4850E+01 H1 836 1.008000 0.423800 1.9291E+01 -7.0182E-01 1.5240E+01 H2 837 1.008000 0.423800 -1.8440E+01 1.9210E-01 1.5223E+01 O6 838 15.999400 -0.847600 -6.2073E-01 1.5410E+01 1.0336E+01 H1 839 1.008000 0.423800 -5.6376E-01 1.6408E+01 1.0345E+01 H2 840 1.008000 0.423800 -1.5770E+00 1.5130E+01 1.0420E+01 O6 841 15.999400 -0.847600 -1.6034E+01 4.6087E+00 -6.3391E+00 H1 842 1.008000 0.423800 -1.5537E+01 5.0945E+00 -5.6204E+00 H2 843 1.008000 0.423800 -1.5640E+01 3.6974E+00 -6.4594E+00 O6 844 15.999400 -0.847600 1.4686E+00 -1.7987E+01 6.8575E+00 H1 845 1.008000 0.423800 2.0152E+00 -1.7348E+01 6.3161E+00 H2 846 1.008000 0.423800 6.0478E-01 -1.7553E+01 7.1131E+00 O6 847 15.999400 -0.847600 4.5679E+00 -1.5005E+01 1.8518E+01 H1 848 1.008000 0.423800 4.1189E+00 -1.4723E+01 1.9366E+01 H2 849 1.008000 0.423800 5.1703E+00 -1.4272E+01 1.8201E+01 O6 850 15.999400 -0.847600 3.3718E-01 1.7923E+01 -4.2606E+00 H1 851 1.008000 0.423800 -1.6168E-01 1.7343E+01 -4.9049E+00 H2 852 1.008000 0.423800 4.1415E-01 1.8847E+01 -4.6345E+00 O6 853 15.999400 -0.847600 -1.7814E+01 3.5116E+00 1.1769E+01 H1 854 1.008000 0.423800 -1.8618E+01 3.5982E+00 1.2358E+01 H2 855 1.008000 0.423800 -1.8005E+01 2.8555E+00 1.1039E+01 O6 856 15.999400 -0.847600 7.1040E-01 -1.0840E+01 -1.1108E+01 H1 857 1.008000 0.423800 -2.8861E-01 -1.0865E+01 -1.1146E+01 H2 858 1.008000 0.423800 1.0643E+00 -1.0401E+01 -1.1934E+01 O6 859 15.999400 -0.847600 1.3340E+01 2.5116E+00 -8.7946E+00 H1 860 1.008000 0.423800 1.4284E+01 2.8248E+00 -8.8978E+00 H2 861 1.008000 0.423800 1.2939E+01 2.9256E+00 -7.9774E+00 O6 862 15.999400 -0.847600 7.1937E+00 -2.1947E+00 -1.3235E+01 H1 863 1.008000 0.423800 6.7035E+00 -2.2793E+00 -1.2368E+01 H2 864 1.008000 0.423800 8.0817E+00 -1.7635E+00 -1.3076E+01 O6 865 15.999400 -0.847600 1.4699E+01 -1.5196E+01 1.7588E+01 H1 866 1.008000 0.423800 1.3953E+01 -1.4922E+01 1.8194E+01 H2 867 1.008000 0.423800 1.4348E+01 -1.5313E+01 1.6659E+01 O6 868 15.999400 -0.847600 1.7024E+01 -2.9575E+00 2.8164E+00 H1 869 1.008000 0.423800 1.6702E+01 -3.4649E+00 2.0171E+00 H2 870 1.008000 0.423800 1.6481E+01 -2.1244E+00 2.9232E+00 O6 871 15.999400 -0.847600 -9.6072E+00 4.6969E-01 -9.1172E+00 H1 872 1.008000 0.423800 -9.9258E+00 -4.7779E-01 -9.0887E+00 H2 873 1.008000 0.423800 -8.6470E+00 5.0684E-01 -8.8404E+00 O6 874 15.999400 -0.847600 -9.2997E+00 1.2366E+01 -1.7129E+01 H1 875 1.008000 0.423800 -9.9855E+00 1.1756E+01 -1.6732E+01 H2 876 1.008000 0.423800 -8.8584E+00 1.2890E+01 -1.6400E+01 O6 877 15.999400 -0.847600 -1.8075E+01 2.5947E+00 -1.4699E+01 H1 878 1.008000 0.423800 -1.8222E+01 3.4260E+00 -1.4163E+01 H2 879 1.008000 0.423800 -1.7955E+01 2.8360E+00 -1.5662E+01 O6 880 15.999400 -0.847600 -1.3199E+01 -1.8119E+01 -9.3707E+00 H1 881 1.008000 0.423800 -1.2386E+01 -1.7557E+01 -9.2143E+00 H2 882 1.008000 0.423800 -1.3192E+01 -1.8897E+01 -8.7423E+00 O6 883 15.999400 -0.847600 -3.4598E+00 -3.3767E+00 1.6549E+01 H1 884 1.008000 0.423800 -3.5125E+00 -2.5575E+00 1.7120E+01 H2 885 1.008000 0.423800 -3.9203E+00 -4.1349E+00 1.7010E+01 O6 886 15.999400 -0.847600 -1.3437E+01 -1.2900E+01 4.7802E+00 H1 887 1.008000 0.423800 -1.3246E+01 -1.3840E+01 4.5005E+00 H2 888 1.008000 0.423800 -1.3861E+01 -1.2406E+01 4.0211E+00 O6 889 15.999400 -0.847600 2.9955E+00 1.7040E+01 5.3606E+00 H1 890 1.008000 0.423800 2.8641E+00 1.6124E+01 4.9833E+00 H2 891 1.008000 0.423800 2.9558E+00 1.7714E+01 4.6222E+00 O6 892 15.999400 -0.847600 4.8028E+00 1.5055E+01 6.1866E+00 H1 893 1.008000 0.423800 4.6846E+00 1.5325E+01 5.2310E+00 H2 894 1.008000 0.423800 4.5859E+00 1.4085E+01 6.2882E+00 O6 895 15.999400 -0.847600 -1.8796E+01 -8.8486E+00 4.0222E+00 H1 896 1.008000 0.423800 -1.8338E+01 -9.7350E+00 4.0907E+00 H2 897 1.008000 0.423800 1.9312E+01 -8.9813E+00 4.0607E+00 O6 898 15.999400 -0.847600 -2.1969E+00 -1.4435E+01 1.2986E+01 H1 899 1.008000 0.423800 -1.9147E+00 -1.4861E+01 1.2126E+01 H2 900 1.008000 0.423800 -3.1871E+00 -1.4525E+01 1.3093E+01 O6 901 15.999400 -0.847600 -8.5440E+00 1.5752E+01 -1.7301E+01 H1 902 1.008000 0.423800 -9.1286E+00 1.5547E+01 -1.8086E+01 H2 903 1.008000 0.423800 -8.1548E+00 1.4902E+01 -1.6944E+01 O6 904 15.999400 -0.847600 -5.0379E+00 -1.4391E+01 -1.2277E+01 H1 905 1.008000 0.423800 -4.9401E+00 -1.3868E+01 -1.3124E+01 H2 906 1.008000 0.423800 -4.3125E+00 -1.4131E+01 -1.1640E+01 O6 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1.9063E+01 -1.0942E+01 H2 924 1.008000 0.423800 -4.1622E+00 1.7851E+01 -1.2036E+01 O6 925 15.999400 -0.847600 1.0971E+00 9.9072E+00 5.5654E+00 H1 926 1.008000 0.423800 3.0155E-01 1.0493E+01 5.4108E+00 H2 927 1.008000 0.423800 8.0206E-01 8.9536E+00 5.6248E+00 O6 928 15.999400 -0.847600 -2.8271E+00 1.9915E+00 1.2082E+01 H1 929 1.008000 0.423800 -3.6293E+00 1.4429E+00 1.2318E+01 H2 930 1.008000 0.423800 -2.8748E+00 2.8717E+00 1.2554E+01 O6 931 15.999400 -0.847600 -1.5992E+01 9.1859E+00 1.0666E+01 H1 932 1.008000 0.423800 -1.5969E+01 9.9339E+00 1.0003E+01 H2 933 1.008000 0.423800 -1.6818E+01 9.2609E+00 1.1225E+01 O6 934 15.999400 -0.847600 2.6045E+00 1.4679E+01 1.0802E+01 H1 935 1.008000 0.423800 2.7414E+00 1.4338E+01 9.8712E+00 H2 936 1.008000 0.423800 2.9961E+00 1.5595E+01 1.0882E+01 O6 937 15.999400 -0.847600 1.9426E+00 -1.4023E+01 -2.0222E+00 H1 938 1.008000 0.423800 1.6686E+00 -1.4082E+01 -2.9822E+00 H2 939 1.008000 0.423800 2.2332E+00 -1.4925E+01 -1.7029E+00 O6 940 15.999400 -0.847600 -7.2129E-01 1.0095E+01 1.7891E+01 H1 941 1.008000 0.423800 -6.5682E-01 1.1010E+01 1.8290E+01 H2 942 1.008000 0.423800 -1.1285E+00 1.0158E+01 1.6980E+01 O6 943 15.999400 -0.847600 -5.3815E+00 -1.4772E+01 9.8756E+00 H1 944 1.008000 0.423800 -5.2477E+00 -1.4445E+01 1.0811E+01 H2 945 1.008000 0.423800 -6.3418E+00 -1.4663E+01 9.6186E+00 O6 946 15.999400 -0.847600 -9.3376E-01 -3.6206E+00 -9.8950E+00 H1 947 1.008000 0.423800 -3.3074E-01 -4.4018E+00 -9.7336E+00 H2 948 1.008000 0.423800 -5.7084E-01 -2.8166E+00 -9.4240E+00 O6 949 15.999400 -0.847600 1.3819E+01 -7.3915E+00 -2.4437E-01 H1 950 1.008000 0.423800 1.4445E+01 -7.2584E+00 5.2340E-01 H2 951 1.008000 0.423800 1.4185E+01 -6.9368E+00 -1.0562E+00 O6 952 15.999400 -0.847600 1.0125E+01 1.2287E+01 -7.6448E+00 H1 953 1.008000 0.423800 1.0383E+01 1.1392E+01 -7.2808E+00 H2 954 1.008000 0.423800 1.0392E+01 1.2345E+01 -8.6067E+00 O6 955 15.999400 -0.847600 5.9820E+00 -6.9200E+00 9.2555E-01 H1 956 1.008000 0.423800 5.6711E+00 -6.1116E+00 1.4253E+00 H2 957 1.008000 0.423800 6.9678E+00 -7.0308E+00 1.0513E+00 O6 958 15.999400 -0.847600 -8.8680E+00 -6.9577E+00 -4.1064E+00 H1 959 1.008000 0.423800 -9.1823E+00 -7.0159E+00 -3.1589E+00 H2 960 1.008000 0.423800 -9.6121E+00 -7.2197E+00 -4.7210E+00 O6 961 15.999400 -0.847600 1.1434E+01 -7.9911E+00 -1.4677E+00 H1 962 1.008000 0.423800 1.2176E+01 -7.7114E+00 -8.5769E-01 H2 963 1.008000 0.423800 1.1492E+01 -8.9758E+00 -1.6323E+00 O6 964 15.999400 -0.847600 8.6948E+00 8.8193E-01 5.7790E+00 H1 965 1.008000 0.423800 7.7534E+00 7.8736E-01 5.4550E+00 H2 966 1.008000 0.423800 8.7370E+00 1.5976E+00 6.4761E+00 O6 967 15.999400 -0.847600 -1.6487E+01 5.8189E-01 1.0151E+01 H1 968 1.008000 0.423800 -1.5524E+01 3.7623E-01 9.9761E+00 H2 969 1.008000 0.423800 -1.6795E+01 7.6307E-02 1.0957E+01 O6 970 15.999400 -0.847600 1.3787E+01 6.1220E+00 3.5072E+00 H1 971 1.008000 0.423800 1.4629E+01 5.7356E+00 3.1301E+00 H2 972 1.008000 0.423800 1.3691E+01 5.8432E+00 4.4627E+00 O6 973 15.999400 -0.847600 1.1174E+00 -1.2898E+01 1.6491E+01 H1 974 1.008000 0.423800 1.5850E+00 -1.3767E+01 1.6329E+01 H2 975 1.008000 0.423800 1.8992E-01 -1.3075E+01 1.6820E+01 O6 976 15.999400 -0.847600 7.6026E+00 -1.1897E+01 -9.6251E-01 H1 977 1.008000 0.423800 6.8688E+00 -1.2482E+01 -6.1773E-01 H2 978 1.008000 0.423800 8.1070E+00 -1.2381E+01 -1.6775E+00 O6 979 15.999400 -0.847600 -1.2073E-01 -7.2399E+00 1.6306E+01 H1 980 1.008000 0.423800 -8.8478E-01 -7.0173E+00 1.6912E+01 H2 981 1.008000 0.423800 -4.7040E-01 -7.4595E+00 1.5395E+01 O6 982 15.999400 -0.847600 -1.2641E+01 -1.2972E+00 1.7578E+01 H1 983 1.008000 0.423800 -1.2452E+01 -2.0596E+00 1.6959E+01 H2 984 1.008000 0.423800 -1.3280E+01 -6.6354E-01 1.7140E+01 O6 985 15.999400 -0.847600 -3.7210E+00 -1.2213E+01 9.0874E+00 H1 986 1.008000 0.423800 -3.7802E+00 -1.1698E+01 8.2322E+00 H2 987 1.008000 0.423800 -4.6208E+00 -1.2585E+01 9.3152E+00 O6 988 15.999400 -0.847600 4.3350E+00 1.2110E+01 6.3848E+00 H1 989 1.008000 0.423800 3.9359E+00 1.1250E+01 6.7017E+00 H2 990 1.008000 0.423800 5.3323E+00 1.2038E+01 6.3925E+00 O6 991 15.999400 -0.847600 -1.2757E+01 -1.2681E+00 -4.0950E+00 H1 992 1.008000 0.423800 -1.2010E+01 -8.5001E-01 -3.5781E+00 H2 993 1.008000 0.423800 -1.3364E+01 -5.5263E-01 -4.4413E+00 O6 994 15.999400 -0.847600 5.4063E+00 3.6072E+00 -9.2563E-03 H1 995 1.008000 0.423800 6.2852E+00 3.1447E+00 1.0709E-01 H2 996 1.008000 0.423800 4.9944E+00 3.3270E+00 -8.7636E-01 O6 997 15.999400 -0.847600 1.2253E+01 -6.7631E+00 5.9377E+00 H1 998 1.008000 0.423800 1.1868E+01 -6.6999E+00 6.8583E+00 H2 999 1.008000 0.423800 1.2068E+01 -7.6707E+00 5.5607E+00 O6 1000 15.999400 -0.847600 5.2771E+00 -1.0633E+01 1.7259E+01 H1 1001 1.008000 0.423800 5.6222E+00 -9.7041E+00 1.7395E+01 H2 1002 1.008000 0.423800 4.2818E+00 -1.0636E+01 1.7357E+01 O6 1003 15.999400 -0.847600 -4.4331E+00 1.8589E+01 4.0347E+00 H1 1004 1.008000 0.423800 -4.3278E+00 1.9016E+01 3.1365E+00 H2 1005 1.008000 0.423800 -4.3760E+00 1.9290E+01 4.7456E+00 O6 1006 15.999400 -0.847600 -3.4162E+00 -6.7788E+00 -1.8165E+01 H1 1007 1.008000 0.423800 -4.0080E+00 -7.4871E+00 -1.8550E+01 H2 1008 1.008000 0.423800 -2.7684E+00 -7.1959E+00 -1.7528E+01 O6 1009 15.999400 -0.847600 8.0132E+00 1.4514E+01 -1.6074E+01 H1 1010 1.008000 0.423800 7.5555E+00 1.4764E+01 -1.5221E+01 H2 1011 1.008000 0.423800 7.8448E+00 1.5220E+01 -1.6762E+01 O6 1012 15.999400 -0.847600 9.2080E+00 4.1310E+00 4.7378E+00 H1 1013 1.008000 0.423800 9.0844E+00 3.2937E+00 5.2703E+00 H2 1014 1.008000 0.423800 1.0078E+01 4.0878E+00 4.2459E+00 O6 1015 15.999400 -0.847600 -6.1424E-01 8.9049E+00 -8.7865E+00 H1 1016 1.008000 0.423800 -1.2481E+00 8.3815E+00 -8.2170E+00 H2 1017 1.008000 0.423800 -8.8028E-01 8.8191E+00 -9.7466E+00 O6 1018 15.999400 -0.847600 1.9196E+01 -8.0700E+00 3.3233E-01 H1 1019 1.008000 0.423800 1.9459E+01 -8.8730E+00 -2.0246E-01 H2 1020 1.008000 0.423800 1.8991E+01 -7.3108E+00 -2.8535E-01 O6 1021 15.999400 -0.847600 1.9526E+01 -1.7639E+01 1.7603E+01 H1 1022 1.008000 0.423800 1.8655E+01 -1.7370E+01 1.7192E+01 H2 1023 1.008000 0.423800 1.9382E+01 -1.7874E+01 1.8564E+01 O6 1024 15.999400 -0.847600 -1.1863E+01 1.4042E+00 -7.6355E+00 H1 1025 1.008000 0.423800 -1.1775E+01 2.0930E+00 -6.9159E+00 H2 1026 1.008000 0.423800 -1.0957E+01 1.1767E+00 -7.9921E+00 O6 1027 15.999400 -0.847600 1.4092E+01 -5.9709E-01 -1.7622E+01 H1 1028 1.008000 0.423800 1.3513E+01 1.6590E-01 -1.7335E+01 H2 1029 1.008000 0.423800 1.4714E+01 -8.4207E-01 -1.6878E+01 O6 1030 15.999400 -0.847600 -6.3959E+00 1.9436E+01 7.1928E+00 H1 1031 1.008000 0.423800 -6.6671E+00 -1.9016E+01 7.9072E+00 H2 1032 1.008000 0.423800 -5.6732E+00 -1.9255E+01 6.6338E+00 O6 1033 15.999400 -0.847600 -6.0574E+00 7.5554E+00 1.0938E+01 H1 1034 1.008000 0.423800 -5.4091E+00 6.8270E+00 1.1160E+01 H2 1035 1.008000 0.423800 -6.9662E+00 7.1619E+00 1.0799E+01 O6 1036 15.999400 -0.847600 9.0902E+00 4.4696E+00 -1.5607E+01 H1 1037 1.008000 0.423800 8.9765E+00 3.7324E+00 -1.6273E+01 H2 1038 1.008000 0.423800 9.2069E+00 4.0787E+00 -1.4694E+01 O6 1039 15.999400 -0.847600 -1.6339E+01 -1.2729E+01 -9.1803E+00 H1 1040 1.008000 0.423800 -1.6883E+01 -1.3557E+01 -9.3156E+00 H2 1041 1.008000 0.423800 -1.5468E+01 -1.2969E+01 -8.7508E+00 O6 1042 15.999400 -0.847600 -5.5708E+00 5.2558E+00 -7.1509E+00 H1 1043 1.008000 0.423800 -6.3507E+00 5.2667E+00 -6.5251E+00 H2 1044 1.008000 0.423800 -4.8483E+00 4.6767E+00 -6.7730E+00 O6 1045 15.999400 -0.847600 7.0192E+00 1.2995E+00 -1.7605E+01 H1 1046 1.008000 0.423800 7.1753E+00 1.2773E+00 -1.8592E+01 H2 1047 1.008000 0.423800 6.1920E+00 7.8190E-01 -1.7386E+01 O6 1048 15.999400 -0.847600 -1.0313E+01 -1.1117E+01 -6.5414E+00 H1 1049 1.008000 0.423800 -9.6729E+00 -1.1238E+01 -7.3003E+00 H2 1050 1.008000 0.423800 -9.8552E+00 -1.1340E+01 -5.6807E+00 O6 1051 15.999400 -0.847600 1.1633E+01 -7.6651E-01 -1.3759E+01 H1 1052 1.008000 0.423800 1.2465E+01 -1.2849E+00 -1.3956E+01 H2 1053 1.008000 0.423800 1.1127E+01 -1.2160E+00 -1.3023E+01 O6 1054 15.999400 -0.847600 -8.7620E+00 6.7173E+00 1.4541E+01 H1 1055 1.008000 0.423800 -8.4000E+00 7.5824E+00 1.4888E+01 H2 1056 1.008000 0.423800 -8.7945E+00 6.0477E+00 1.5283E+01 O6 1057 15.999400 -0.847600 6.3820E+00 -1.2261E+01 1.9105E+01 H1 1058 1.008000 0.423800 5.8830E+00 -1.1713E+01 1.8433E+01 H2 1059 1.008000 0.423800 7.2281E+00 -1.2601E+01 1.8695E+01 O6 1060 15.999400 -0.847600 -3.4722E+00 4.3222E+00 1.6759E+01 H1 1061 1.008000 0.423800 -2.9025E+00 3.7800E+00 1.7376E+01 H2 1062 1.008000 0.423800 -3.1854E+00 5.2795E+00 1.6795E+01 O6 1063 15.999400 -0.847600 -1.3157E+01 -1.1114E+01 -3.7918E+00 H1 1064 1.008000 0.423800 -1.2283E+01 -1.1503E+01 -3.5001E+00 H2 1065 1.008000 0.423800 -1.3061E+01 -1.0124E+01 -3.9002E+00 O6 1066 15.999400 -0.847600 -8.8117E+00 -1.6457E+01 -7.1870E+00 H1 1067 1.008000 0.423800 -9.2172E+00 -1.5563E+01 -6.9948E+00 H2 1068 1.008000 0.423800 -8.1955E+00 -1.6711E+01 -6.4414E+00 O6 1069 15.999400 -0.847600 -1.3833E+01 1.1079E+01 1.5687E+01 H1 1070 1.008000 0.423800 -1.3790E+01 1.0080E+01 1.5707E+01 H2 1071 1.008000 0.423800 -1.2905E+01 1.1452E+01 1.5676E+01 O6 1072 15.999400 -0.847600 -1.8962E+01 6.6158E+00 -2.5804E+00 H1 1073 1.008000 0.423800 -1.8346E+01 6.5553E+00 -1.7946E+00 H2 1074 1.008000 0.423800 1.9199E+01 6.4302E+00 -2.2848E+00 O6 1075 15.999400 -0.847600 -1.2300E+01 5.7724E+00 -1.5322E+01 H1 1076 1.008000 0.423800 -1.1773E+01 5.1370E+00 -1.4758E+01 H2 1077 1.008000 0.423800 -1.3275E+01 5.5630E+00 -1.5238E+01 O6 1078 15.999400 -0.847600 -1.1586E+01 -1.4728E+01 -1.1989E+01 H1 1079 1.008000 0.423800 -1.0591E+01 -1.4750E+01 -1.2089E+01 H2 1080 1.008000 0.423800 -1.1830E+01 -1.4920E+01 -1.1039E+01 O6 1081 15.999400 -0.847600 -1.6761E+01 4.3503E+00 1.8066E+01 H1 1082 1.008000 0.423800 -1.6629E+01 4.0509E+00 1.7121E+01 H2 1083 1.008000 0.423800 -1.6424E+01 5.2862E+00 1.8169E+01 O6 1084 15.999400 -0.847600 1.5812E+01 -8.5833E+00 7.4248E+00 H1 1085 1.008000 0.423800 1.6148E+01 -7.9757E+00 6.7052E+00 H2 1086 1.008000 0.423800 1.6383E+01 -8.4833E+00 8.2393E+00 O6 1087 15.999400 -0.847600 -3.1353E+00 -1.7753E+01 1.6221E+01 H1 1088 1.008000 0.423800 -2.5691E+00 -1.8104E+01 1.5475E+01 H2 1089 1.008000 0.423800 -2.8386E+00 -1.6827E+01 1.6456E+01 O6 1090 15.999400 -0.847600 -2.1108E+00 6.1691E-01 -8.2945E-01 H1 1091 1.008000 0.423800 -1.3313E+00 2.3003E-01 -3.3683E-01 H2 1092 1.008000 0.423800 -2.0619E+00 3.5106E-01 -1.7922E+00 O6 1093 15.999400 -0.847600 -6.7819E-01 1.8526E+01 1.6077E+01 H1 1094 1.008000 0.423800 -1.3234E+00 1.7838E+01 1.5745E+01 H2 1095 1.008000 0.423800 2.4747E-01 1.8282E+01 1.5788E+01 O6 1096 15.999400 -0.847600 3.4444E+00 -1.4392E+01 1.4021E+01 H1 1097 1.008000 0.423800 4.4031E+00 -1.4427E+01 1.4304E+01 H2 1098 1.008000 0.423800 2.8580E+00 -1.4587E+01 1.4808E+01 O6 1099 15.999400 -0.847600 1.4981E+01 1.6263E+00 3.0038E+00 H1 1100 1.008000 0.423800 1.5832E+01 1.6407E+00 3.5293E+00 H2 1101 1.008000 0.423800 1.5146E+01 2.0045E+00 2.0928E+00 O6 1102 15.999400 -0.847600 1.5363E+01 -1.1639E+01 -1.3867E+01 H1 1103 1.008000 0.423800 1.5165E+01 -1.1558E+01 -1.4844E+01 H2 1104 1.008000 0.423800 1.5023E+01 -1.2516E+01 -1.3529E+01 O6 1105 15.999400 -0.847600 1.1267E+01 7.1555E-01 -1.8215E+01 H1 1106 1.008000 0.423800 1.1102E+01 -1.4569E-01 -1.8695E+01 H2 1107 1.008000 0.423800 1.1106E+01 5.8753E-01 -1.7236E+01 O6 1108 15.999400 -0.847600 -1.2717E+00 1.4486E+01 -1.5005E+01 H1 1109 1.008000 0.423800 -1.1650E+00 1.5448E+01 -1.4753E+01 H2 1110 1.008000 0.423800 -8.0690E-01 1.3912E+01 -1.4331E+01 O6 1111 15.999400 -0.847600 7.1409E+00 1.7385E+01 2.1748E-01 H1 1112 1.008000 0.423800 6.1893E+00 1.7128E+01 4.9303E-02 H2 1113 1.008000 0.423800 7.4130E+00 1.8098E+01 -4.2961E-01 O6 1114 15.999400 -0.847600 -4.5837E+00 1.2237E+01 -4.0480E+00 H1 1115 1.008000 0.423800 -3.7416E+00 1.1707E+01 -3.9487E+00 H2 1116 1.008000 0.423800 -5.3719E+00 1.1624E+01 -3.9885E+00 O6 1117 15.999400 -0.847600 1.1302E+01 1.3638E+00 -1.5335E+01 H1 1118 1.008000 0.423800 1.0508E+01 1.8626E+00 -1.4987E+01 H2 1119 1.008000 0.423800 1.1235E+01 4.0269E-01 -1.5067E+01 O6 1120 15.999400 -0.847600 -1.4711E+01 1.6148E+01 -1.4771E+01 H1 1121 1.008000 0.423800 -1.5508E+01 1.6749E+01 -1.4704E+01 H2 1122 1.008000 0.423800 -1.4591E+01 1.5656E+01 -1.3909E+01 O6 1123 15.999400 -0.847600 -1.1174E+01 2.8511E+00 -1.5787E+01 H1 1124 1.008000 0.423800 -1.1282E+01 2.0712E+00 -1.5170E+01 H2 1125 1.008000 0.423800 -1.0465E+01 3.4611E+00 -1.5432E+01 O6 1126 15.999400 -0.847600 -1.7766E+01 3.4808E+00 -1.7210E+01 H1 1127 1.008000 0.423800 -1.7809E+01 3.0488E+00 -1.8111E+01 H2 1128 1.008000 0.423800 -1.6878E+01 3.9268E+00 -1.7096E+01 O6 1129 15.999400 -0.847600 -1.2987E+01 9.4954E-01 -1.8053E+00 H1 1130 1.008000 0.423800 -1.3783E+01 1.0242E+00 -1.2040E+00 H2 1131 1.008000 0.423800 -1.2392E+01 2.1489E-01 -1.4804E+00 O6 1132 15.999400 -0.847600 2.0159E+00 -1.8646E+01 1.7455E+00 H1 1133 1.008000 0.423800 1.7655E+00 -1.8959E+01 8.2938E-01 H2 1134 1.008000 0.423800 2.6207E+00 -1.7853E+01 1.6729E+00 O6 1135 15.999400 -0.847600 5.3337E+00 9.2287E+00 1.5953E+01 H1 1136 1.008000 0.423800 5.7827E+00 9.3049E+00 1.5063E+01 H2 1137 1.008000 0.423800 4.4825E+00 8.7134E+00 1.5854E+01 O6 1138 15.999400 -0.847600 1.4865E+01 1.9399E+01 1.9176E+01 H1 1139 1.008000 0.423800 1.5669E+01 1.8940E+01 1.8798E+01 H2 1140 1.008000 0.423800 1.4533E+01 -1.9017E+01 1.8524E+01 O6 1141 15.999400 -0.847600 -1.7050E+01 -1.8816E+01 1.8252E+01 H1 1142 1.008000 0.423800 -1.7510E+01 -1.8046E+01 1.8693E+01 H2 1143 1.008000 0.423800 -1.7599E+01 -1.9135E+01 1.7480E+01 O6 1144 15.999400 -0.847600 -2.0108E+00 -1.6203E+01 -3.0058E+00 H1 1145 1.008000 0.423800 -2.5521E+00 -1.5532E+01 -3.5131E+00 H2 1146 1.008000 0.423800 -2.6025E+00 -1.6952E+01 -2.7076E+00 O6 1147 15.999400 -0.847600 1.4488E+01 4.0991E+00 -1.1843E+01 H1 1148 1.008000 0.423800 1.5050E+01 3.9945E+00 -1.1022E+01 H2 1149 1.008000 0.423800 1.4541E+01 3.2647E+00 -1.2392E+01 O6 1150 15.999400 -0.847600 -2.0875E+00 -6.5445E+00 1.8008E+01 H1 1151 1.008000 0.423800 -2.5611E+00 -7.2529E+00 1.8532E+01 H2 1152 1.008000 0.423800 -2.7457E+00 -5.8516E+00 1.7714E+01 O6 1153 15.999400 -0.847600 -1.0148E+01 -1.2724E+01 5.1947E+00 H1 1154 1.008000 0.423800 -9.9815E+00 -1.3663E+01 4.8931E+00 H2 1155 1.008000 0.423800 -1.1126E+01 -1.2524E+01 5.1351E+00 O6 1156 15.999400 -0.847600 6.9593E+00 1.1426E+01 5.8982E+00 H1 1157 1.008000 0.423800 7.6348E+00 1.2101E+01 6.1950E+00 H2 1158 1.008000 0.423800 7.4214E+00 1.0682E+01 5.4154E+00 O6 1159 15.999400 -0.847600 4.1230E+00 1.4148E+01 -1.7022E+01 H1 1160 1.008000 0.423800 4.6298E+00 1.3910E+01 -1.6193E+01 H2 1161 1.008000 0.423800 4.0431E+00 1.5142E+01 -1.7089E+01 O6 1162 15.999400 -0.847600 -1.7122E+01 1.9365E+01 -5.6184E+00 H1 1163 1.008000 0.423800 -1.7662E+01 1.8700E+01 -6.1335E+00 H2 1164 1.008000 0.423800 -1.7054E+01 1.9073E+01 -4.6646E+00 O6 1165 15.999400 -0.847600 1.1377E+01 -1.1098E+01 -7.9315E+00 H1 1166 1.008000 0.423800 1.0976E+01 -1.0182E+01 -7.9515E+00 H2 1167 1.008000 0.423800 1.1863E+01 -1.1268E+01 -8.7887E+00 O6 1168 15.999400 -0.847600 -5.0741E+00 1.8974E+01 1.4071E+01 H1 1169 1.008000 0.423800 -5.0940E+00 1.8913E+01 1.3073E+01 H2 1170 1.008000 0.423800 -4.1828E+00 1.9318E+01 1.4366E+01 O6 1171 15.999400 -0.847600 1.8442E+01 1.7833E+01 1.1732E+01 H1 1172 1.008000 0.423800 1.9217E+01 1.8307E+01 1.2152E+01 H2 1173 1.008000 0.423800 1.7812E+01 1.8505E+01 1.1342E+01 O6 1174 15.999400 -0.847600 1.2335E+01 3.6555E-01 1.1726E+01 H1 1175 1.008000 0.423800 1.2191E+01 -6.3047E-02 1.0834E+01 H2 1176 1.008000 0.423800 1.2346E+01 1.3598E+00 1.1620E+01 O6 1177 15.999400 -0.847600 1.0786E+01 -2.6635E+00 8.6417E+00 H1 1178 1.008000 0.423800 1.0937E+01 -3.4073E+00 9.2927E+00 H2 1179 1.008000 0.423800 9.9691E+00 -2.1503E+00 8.9061E+00 O6 1180 15.999400 -0.847600 3.6170E+00 -6.1228E+00 -1.0263E+01 H1 1181 1.008000 0.423800 4.0422E+00 -6.0680E+00 -9.3599E+00 H2 1182 1.008000 0.423800 3.2217E+00 -5.2352E+00 -1.0500E+01 O6 1183 15.999400 -0.847600 -8.3962E+00 -6.0785E+00 5.0264E+00 H1 1184 1.008000 0.423800 -8.9854E+00 -6.0626E+00 4.2186E+00 H2 1185 1.008000 0.423800 -8.8039E+00 -5.5181E+00 5.7473E+00 O6 1186 15.999400 -0.847600 8.1375E-01 6.3911E-01 -3.0215E+00 H1 1187 1.008000 0.423800 1.5165E+00 4.0334E-02 -3.4057E+00 H2 1188 1.008000 0.423800 9.8081E-01 7.6417E-01 -2.0435E+00 O6 1189 15.999400 -0.847600 7.9757E+00 -8.5097E+00 -8.0937E+00 H1 1190 1.008000 0.423800 7.9266E+00 -8.7546E+00 -9.0620E+00 H2 1191 1.008000 0.423800 7.4108E+00 -9.1401E+00 -7.5614E+00 O6 1192 15.999400 -0.847600 -7.0837E-02 9.4470E+00 -4.7838E-01 H1 1193 1.008000 0.423800 -2.7911E-01 9.2681E+00 -1.4400E+00 H2 1194 1.008000 0.423800 6.5141E-01 1.0136E+01 -4.1635E-01 O6 1195 15.999400 -0.847600 -1.3856E+01 2.1305E+00 -1.4965E+01 H1 1196 1.008000 0.423800 -1.2943E+01 1.7312E+00 -1.5050E+01 H2 1197 1.008000 0.423800 -1.4318E+01 1.7402E+00 -1.4168E+01 O6 1198 15.999400 -0.847600 4.5854E+00 -1.1680E+01 -1.2735E+01 H1 1199 1.008000 0.423800 5.3263E+00 -1.2133E+01 -1.3230E+01 H2 1200 1.008000 0.423800 4.9519E+00 -1.1244E+01 -1.1913E+01 O6 1201 15.999400 -0.847600 -1.9235E+01 1.2295E+01 -6.1250E+00 H1 1202 1.008000 0.423800 -1.8915E+01 1.2257E+01 -7.0717E+00 H2 1203 1.008000 0.423800 -1.9274E+01 1.3248E+01 -5.8238E+00 O6 1204 15.999400 -0.847600 -9.7855E+00 4.5932E+00 3.5924E+00 H1 1205 1.008000 0.423800 -1.0531E+01 4.5168E+00 2.9302E+00 H2 1206 1.008000 0.423800 -9.3481E+00 3.7011E+00 3.7061E+00 O6 1207 15.999400 -0.847600 -1.3041E+01 -1.3540E-01 3.2606E+00 H1 1208 1.008000 0.423800 -1.3147E+01 -1.1219E+00 3.1361E+00 H2 1209 1.008000 0.423800 -1.3856E+01 2.3426E-01 3.7063E+00 O6 1210 15.999400 -0.847600 -3.3923E+00 9.4516E+00 1.0200E+01 H1 1211 1.008000 0.423800 -4.3255E+00 9.2605E+00 1.0504E+01 H2 1212 1.008000 0.423800 -3.3967E+00 1.0243E+01 9.5882E+00 O6 1213 15.999400 -0.847600 1.8884E+01 4.8711E+00 -1.6696E+01 H1 1214 1.008000 0.423800 1.8261E+01 4.1406E+00 -1.6417E+01 H2 1215 1.008000 0.423800 -1.9298E+01 4.4927E+00 -1.6836E+01 O6 1216 15.999400 -0.847600 1.6350E+01 1.6707E+01 -1.7728E+00 H1 1217 1.008000 0.423800 1.6580E+01 1.6945E+01 -2.7164E+00 H2 1218 1.008000 0.423800 1.6545E+01 1.5738E+01 -1.6170E+00 O6 1219 15.999400 -0.847600 1.5109E+01 1.3977E+01 -1.2634E+01 H1 1220 1.008000 0.423800 1.5625E+01 1.4832E+01 -1.2699E+01 H2 1221 1.008000 0.423800 1.5706E+01 1.3255E+01 -1.2284E+01 O6 1222 15.999400 -0.847600 3.6705E+00 6.3176E+00 -1.4956E-01 H1 1223 1.008000 0.423800 4.5184E+00 5.8903E+00 1.6417E-01 H2 1224 1.008000 0.423800 3.4276E+00 7.0674E+00 4.6594E-01 O6 1225 15.999400 -0.847600 -1.1341E+01 9.4346E+00 1.4817E+01 H1 1226 1.008000 0.423800 -1.1572E+01 9.9591E+00 1.3998E+01 H2 1227 1.008000 0.423800 -1.0557E+01 9.8564E+00 1.5272E+01 O6 1228 15.999400 -0.847600 2.0442E+00 -1.0276E+01 -1.3468E+01 H1 1229 1.008000 0.423800 1.2476E+00 -1.0711E+01 -1.3888E+01 H2 1230 1.008000 0.423800 2.8381E+00 -1.0878E+01 -1.3558E+01 O6 1231 15.999400 -0.847600 2.1431E+00 -1.9213E+01 -6.7698E+00 H1 1232 1.008000 0.423800 2.1434E+00 -1.8248E+01 -6.5080E+00 H2 1233 1.008000 0.423800 2.9178E+00 1.9422E+01 -6.3387E+00 O6 1234 15.999400 -0.847600 -1.0054E+00 1.7158E+01 -1.4247E+01 H1 1235 1.008000 0.423800 -1.0571E+00 1.7141E+01 -1.3248E+01 H2 1236 1.008000 0.423800 -1.7985E+00 1.7644E+01 -1.4614E+01 O6 1237 15.999400 -0.847600 -1.0024E+01 1.6527E+01 -1.5176E+01 H1 1238 1.008000 0.423800 -9.6478E+00 1.6070E+01 -1.5981E+01 H2 1239 1.008000 0.423800 -1.1022E+01 1.6464E+01 -1.5192E+01 O6 1240 15.999400 -0.847600 -1.2830E+01 -3.4100E+00 -2.2086E+00 H1 1241 1.008000 0.423800 -1.2945E+01 -2.7204E+00 -2.9235E+00 H2 1242 1.008000 0.423800 -1.3069E+01 -3.0142E+00 -1.3220E+00 O6 1243 15.999400 -0.847600 1.7491E+01 1.8259E+01 3.0030E-01 H1 1244 1.008000 0.423800 1.7162E+01 1.7846E+01 1.1495E+00 H2 1245 1.008000 0.423800 1.7128E+01 1.7750E+01 -4.8028E-01 O6 1246 15.999400 -0.847600 1.1030E+01 9.2926E+00 1.8303E+01 H1 1247 1.008000 0.423800 1.0333E+01 8.5831E+00 1.8403E+01 H2 1248 1.008000 0.423800 1.1746E+01 8.9710E+00 1.7683E+01 O6 1249 15.999400 -0.847600 -3.5715E+00 -4.5027E+00 9.7839E+00 H1 1250 1.008000 0.423800 -2.6621E+00 -4.9031E+00 9.8968E+00 H2 1251 1.008000 0.423800 -3.7642E+00 -3.8915E+00 1.0551E+01 O6 1252 15.999400 -0.847600 -8.3126E+00 -1.5048E+01 -1.5237E+01 H1 1253 1.008000 0.423800 -8.5824E+00 -1.4486E+01 -1.4455E+01 H2 1254 1.008000 0.423800 -7.5035E+00 -1.4650E+01 -1.5670E+01 O6 1255 15.999400 -0.847600 -4.4768E+00 3.0265E+00 -1.3943E+00 H1 1256 1.008000 0.423800 -5.3425E+00 2.5360E+00 -1.4941E+00 H2 1257 1.008000 0.423800 -4.0843E+00 2.8304E+00 -4.9576E-01 O6 1258 15.999400 -0.847600 -3.8313E+00 -1.0550E+01 6.3507E+00 H1 1259 1.008000 0.423800 -3.7810E+00 -1.0560E+01 5.3520E+00 H2 1260 1.008000 0.423800 -2.9586E+00 -1.0236E+01 6.7251E+00 O6 1261 15.999400 -0.847600 -1.2671E+01 1.3316E+01 -1.6550E+01 H1 1262 1.008000 0.423800 -1.2750E+01 1.2792E+01 -1.7398E+01 H2 1263 1.008000 0.423800 -1.2439E+01 1.4265E+01 -1.6765E+01 O6 1264 15.999400 -0.847600 1.2953E+01 -3.1255E-01 -8.8933E+00 H1 1265 1.008000 0.423800 1.3034E+01 6.5425E-01 -8.6510E+00 H2 1266 1.008000 0.423800 1.3746E+01 -8.1152E-01 -8.5444E+00 O6 1267 15.999400 -0.847600 -1.4282E+01 1.9212E+01 1.5093E+01 H1 1268 1.008000 0.423800 -1.3345E+01 1.8866E+01 1.5040E+01 H2 1269 1.008000 0.423800 -1.4649E+01 1.9043E+01 1.6007E+01 O6 1270 15.999400 -0.847600 -1.0693E+01 -1.9020E+01 -1.5602E+01 H1 1271 1.008000 0.423800 -1.0621E+01 1.9243E+01 -1.6148E+01 H2 1272 1.008000 0.423800 -9.8550E+00 -1.8897E+01 -1.5070E+01 O6 1273 15.999400 -0.847600 -1.5507E+01 8.2827E+00 -1.8263E+01 H1 1274 1.008000 0.423800 -1.5615E+01 8.2182E+00 -1.7271E+01 H2 1275 1.008000 0.423800 -1.6214E+01 8.8841E+00 -1.8637E+01 O6 1276 15.999400 -0.847600 1.5759E+01 2.0433E+00 -1.8129E+01 H1 1277 1.008000 0.423800 1.5791E+01 2.9776E+00 -1.8484E+01 H2 1278 1.008000 0.423800 1.4854E+01 1.8624E+00 -1.7746E+01 O6 1279 15.999400 -0.847600 -1.4845E+01 1.2833E+01 -8.4479E+00 H1 1280 1.008000 0.423800 -1.4506E+01 1.3706E+01 -8.8004E+00 H2 1281 1.008000 0.423800 -1.4430E+01 1.2650E+01 -7.5566E+00 O6 1282 15.999400 -0.847600 -1.2642E+01 -1.4306E+01 -8.9248E+00 H1 1283 1.008000 0.423800 -1.2713E+01 -1.3517E+01 -8.3144E+00 H2 1284 1.008000 0.423800 -1.3465E+01 -1.4867E+01 -8.8419E+00 O6 1285 15.999400 -0.847600 -1.2429E+01 -6.4000E+00 -7.0496E+00 H1 1286 1.008000 0.423800 -1.3181E+01 -7.0270E+00 -7.2539E+00 H2 1287 1.008000 0.423800 -1.2801E+01 -5.5216E+00 -6.7485E+00 O6 1288 15.999400 -0.847600 -1.0189E+01 -1.1111E-01 -2.8784E+00 H1 1289 1.008000 0.423800 -9.8963E+00 8.4018E-01 -2.7827E+00 H2 1290 1.008000 0.423800 -1.0291E+01 -5.2120E-01 -1.9721E+00 O6 1291 15.999400 -0.847600 2.3236E-01 -1.8695E+01 -1.2743E+01 H1 1292 1.008000 0.423800 -7.1623E-01 -1.8486E+01 -1.2981E+01 H2 1293 1.008000 0.423800 3.0906E-01 1.9437E+01 -1.2495E+01 O6 1294 15.999400 -0.847600 5.0314E+00 -1.8207E+01 1.9196E+01 H1 1295 1.008000 0.423800 5.4575E+00 -1.7625E+01 1.8503E+01 H2 1296 1.008000 0.423800 4.2597E+00 -1.7723E+01 -1.9489E+01 O6 1297 15.999400 -0.847600 -4.3488E+00 1.9437E+01 1.1332E+01 H1 1298 1.008000 0.423800 -4.8076E+00 -1.8974E+01 1.0769E+01 H2 1299 1.008000 0.423800 -4.2350E+00 1.8595E+01 1.0804E+01 O6 1300 15.999400 -0.847600 2.9440E+00 -9.7548E+00 -9.7322E+00 H1 1301 1.008000 0.423800 3.4394E+00 -9.3267E+00 -1.0488E+01 H2 1302 1.008000 0.423800 2.0200E+00 -9.9925E+00 -1.0031E+01 O6 1303 15.999400 -0.847600 1.9223E-01 -6.1157E+00 5.7349E+00 H1 1304 1.008000 0.423800 -7.8639E-02 -5.4481E+00 5.0414E+00 H2 1305 1.008000 0.423800 -3.1542E-01 -5.9439E+00 6.5791E+00 O6 1306 15.999400 -0.847600 1.8771E+01 -6.3244E+00 -1.7196E+01 H1 1307 1.008000 0.423800 -1.9425E+01 -5.8949E+00 -1.7242E+01 H2 1308 1.008000 0.423800 1.8752E+01 -7.1245E+00 -1.7796E+01 O6 1309 15.999400 -0.847600 6.8255E+00 1.4696E+01 1.8985E+01 H1 1310 1.008000 0.423800 6.6522E+00 1.3783E+01 1.9356E+01 H2 1311 1.008000 0.423800 6.8315E+00 1.5362E+01 -1.9367E+01 O6 1312 15.999400 -0.847600 -4.2355E+00 -8.4896E+00 1.5815E+01 H1 1313 1.008000 0.423800 -4.0511E+00 -8.3684E+00 1.6791E+01 H2 1314 1.008000 0.423800 -3.8964E+00 -9.3830E+00 1.5521E+01 O6 1315 15.999400 -0.847600 8.0550E+00 -2.7793E+00 1.4486E+01 H1 1316 1.008000 0.423800 8.9365E+00 -2.5366E+00 1.4891E+01 H2 1317 1.008000 0.423800 7.3284E+00 -2.6334E+00 1.5158E+01 O6 1318 15.999400 -0.847600 -1.1202E+01 1.2023E+01 9.5673E+00 H1 1319 1.008000 0.423800 -1.0717E+01 1.2372E+01 1.0368E+01 H2 1320 1.008000 0.423800 -1.1858E+01 1.2708E+01 9.2500E+00 O6 1321 15.999400 -0.847600 -3.0446E+00 -1.2100E+00 1.8448E+01 H1 1322 1.008000 0.423800 -4.0300E+00 -1.2996E+00 1.8593E+01 H2 1323 1.008000 0.423800 -2.5593E+00 -1.8212E+00 1.9074E+01 O6 1324 15.999400 -0.847600 -6.2510E+00 1.1892E+01 -1.1807E-01 H1 1325 1.008000 0.423800 -6.8730E+00 1.2540E+01 3.2174E-01 H2 1326 1.008000 0.423800 -5.5354E+00 1.2394E+01 -6.0349E-01 O6 1327 15.999400 -0.847600 -9.8174E+00 -8.0611E+00 1.6912E+01 H1 1328 1.008000 0.423800 -9.1576E+00 -7.5340E+00 1.7447E+01 H2 1329 1.008000 0.423800 -1.0318E+01 -8.6810E+00 1.7516E+01 O6 1330 15.999400 -0.847600 1.2713E+01 -1.0774E+01 1.4072E+01 H1 1331 1.008000 0.423800 1.1820E+01 -1.1151E+01 1.3825E+01 H2 1332 1.008000 0.423800 1.3403E+01 -1.1497E+01 1.4029E+01 O6 1333 15.999400 -0.847600 -1.4803E+00 -1.5877E+01 -1.2460E+01 H1 1334 1.008000 0.423800 -1.8879E+00 -1.6286E+01 -1.1643E+01 H2 1335 1.008000 0.423800 -2.1619E+00 -1.5843E+01 -1.3191E+01 O6 1336 15.999400 -0.847600 -1.0816E+01 -1.6495E+01 -9.0609E+00 H1 1337 1.008000 0.423800 -1.0067E+01 -1.6757E+01 -8.4520E+00 H2 1338 1.008000 0.423800 -1.1086E+01 -1.5551E+01 -8.8693E+00 O6 1339 15.999400 -0.847600 -1.6574E+01 7.0055E+00 7.0890E+00 H1 1340 1.008000 0.423800 -1.5759E+01 6.6687E+00 6.6174E+00 H2 1341 1.008000 0.423800 -1.6543E+01 6.7256E+00 8.0486E+00 O6 1342 15.999400 -0.847600 -6.1590E+00 1.3315E+01 -1.2395E+01 H1 1343 1.008000 0.423800 -6.7325E+00 1.4024E+01 -1.2806E+01 H2 1344 1.008000 0.423800 -5.2262E+00 1.3396E+01 -1.2746E+01 O6 1345 15.999400 -0.847600 1.4723E+01 -1.7702E+01 6.5968E+00 H1 1346 1.008000 0.423800 1.5032E+01 -1.7022E+01 7.2616E+00 H2 1347 1.008000 0.423800 1.3964E+01 -1.8225E+01 6.9836E+00 O6 1348 15.999400 -0.847600 1.4434E+01 -1.3528E+01 -1.5844E+01 H1 1349 1.008000 0.423800 1.3643E+01 -1.4066E+01 -1.5556E+01 H2 1350 1.008000 0.423800 1.5246E+01 -1.3838E+01 -1.5350E+01 O6 1351 15.999400 -0.847600 1.0591E+01 9.1602E+00 -1.4459E+01 H1 1352 1.008000 0.423800 1.0167E+01 9.4532E+00 -1.5316E+01 H2 1353 1.008000 0.423800 1.1246E+01 9.8525E+00 -1.4158E+01 O6 1354 15.999400 -0.847600 -4.9562E+00 2.4701E-02 4.1651E+00 H1 1355 1.008000 0.423800 -4.4577E+00 4.0095E-01 3.3840E+00 H2 1356 1.008000 0.423800 -5.7091E+00 6.3705E-01 4.4063E+00 O6 1357 15.999400 -0.847600 6.5623E+00 3.3425E+00 1.9038E+01 H1 1358 1.008000 0.423800 7.4431E+00 3.6171E+00 1.9424E+01 H2 1359 1.008000 0.423800 5.8699E+00 4.0262E+00 1.9268E+01 O6 1360 15.999400 -0.847600 -1.4727E+01 3.9348E+00 -9.9648E+00 H1 1361 1.008000 0.423800 -1.5159E+01 4.8149E+00 -1.0162E+01 H2 1362 1.008000 0.423800 -1.5422E+01 3.2819E+00 -9.6643E+00 O6 1363 15.999400 -0.847600 -7.1027E+00 -4.4607E+00 1.8849E+00 H1 1364 1.008000 0.423800 -7.0631E+00 -4.1369E+00 2.8303E+00 H2 1365 1.008000 0.423800 -6.6554E+00 -3.7963E+00 1.2862E+00 O6 1366 15.999400 -0.847600 2.1429E+00 1.8426E+01 1.5479E+01 H1 1367 1.008000 0.423800 2.0125E+00 1.8620E+01 1.4506E+01 H2 1368 1.008000 0.423800 2.9624E+00 1.7866E+01 1.5600E+01 O6 1369 15.999400 -0.847600 -4.1278E+00 -3.9506E+00 -5.1796E+00 H1 1370 1.008000 0.423800 -5.0062E+00 -3.7218E+00 -4.7600E+00 H2 1371 1.008000 0.423800 -3.8498E+00 -4.8672E+00 -4.8921E+00 O6 1372 15.999400 -0.847600 5.4269E+00 -1.3802E+01 -6.2112E-01 H1 1373 1.008000 0.423800 5.5153E+00 -1.4797E+01 -6.6365E-01 H2 1374 1.008000 0.423800 4.6841E+00 -1.3560E+01 3.0200E-03 O6 1375 15.999400 -0.847600 1.9347E+01 1.5746E+01 1.3437E+01 H1 1376 1.008000 0.423800 1.9145E+01 1.5968E+01 1.4391E+01 H2 1377 1.008000 0.423800 1.8968E+01 1.6455E+01 1.2842E+01 O6 1378 15.999400 -0.847600 1.4377E+01 -3.1811E-02 1.7301E+01 H1 1379 1.008000 0.423800 1.5051E+01 -2.2049E-01 1.8015E+01 H2 1380 1.008000 0.423800 1.3499E+01 -4.3732E-01 1.7556E+01 O6 1381 15.999400 -0.847600 -1.5241E+01 9.8259E-01 -4.3803E-01 H1 1382 1.008000 0.423800 -1.5983E+01 1.6503E+00 -3.7844E-01 H2 1383 1.008000 0.423800 -1.5586E+01 7.7797E-02 -1.8837E-01 O6 1384 15.999400 -0.847600 1.8681E+01 1.0053E+01 1.1031E+01 H1 1385 1.008000 0.423800 1.7787E+01 1.0461E+01 1.0844E+01 H2 1386 1.008000 0.423800 1.9338E+01 1.0361E+01 1.0342E+01 O6 1387 15.999400 -0.847600 -1.4181E+01 -1.0314E+01 -1.0223E+01 H1 1388 1.008000 0.423800 -1.3662E+01 -1.1060E+01 -1.0640E+01 H2 1389 1.008000 0.423800 -1.5150E+01 -1.0561E+01 -1.0186E+01 O6 1390 15.999400 -0.847600 -6.4757E+00 -1.8780E+01 -3.4865E-01 H1 1391 1.008000 0.423800 -6.5086E+00 -1.9271E+01 -1.2189E+00 H2 1392 1.008000 0.423800 -7.4062E+00 -1.8566E+01 -5.1158E-02 O6 1393 15.999400 -0.847600 1.5312E+01 5.9374E+00 -7.4602E+00 H1 1394 1.008000 0.423800 1.5686E+01 5.3730E+00 -6.7243E+00 H2 1395 1.008000 0.423800 1.5017E+01 6.8172E+00 -7.0881E+00 O6 1396 15.999400 -0.847600 -8.3496E+00 1.9310E+01 5.1465E+00 H1 1397 1.008000 0.423800 -7.6962E+00 -1.9534E+01 5.8599E+00 H2 1398 1.008000 0.423800 -7.9472E+00 1.8607E+01 4.5602E+00 O6 1399 15.999400 -0.847600 1.8135E+00 -1.6648E+01 -6.1126E+00 H1 1400 1.008000 0.423800 1.3285E+00 -1.6352E+01 -6.9355E+00 H2 1401 1.008000 0.423800 1.4635E+00 -1.6147E+01 -5.3211E+00 O6 1402 15.999400 -0.847600 3.4179E+00 -3.3619E+00 -2.5244E-01 H1 1403 1.008000 0.423800 3.1367E+00 -4.3183E+00 -1.7340E-01 H2 1404 1.008000 0.423800 3.0460E+00 -2.9737E+00 -1.0956E+00 O6 1405 15.999400 -0.847600 9.7650E+00 5.6377E+00 -6.0993E+00 H1 1406 1.008000 0.423800 1.0348E+01 6.4262E+00 -6.2951E+00 H2 1407 1.008000 0.423800 8.9777E+00 5.9318E+00 -5.5574E+00 O6 1408 15.999400 -0.847600 -8.6482E+00 1.5137E+01 9.1287E+00 H1 1409 1.008000 0.423800 -7.9801E+00 1.5869E+01 8.9958E+00 H2 1410 1.008000 0.423800 -9.4699E+00 1.5335E+01 8.5940E+00 O6 1411 15.999400 -0.847600 -1.2625E+01 1.1306E+01 -3.9090E+00 H1 1412 1.008000 0.423800 -1.2426E+01 1.1602E+01 -2.9748E+00 H2 1413 1.008000 0.423800 -1.1827E+01 1.1470E+01 -4.4882E+00 O6 1414 15.999400 -0.847600 1.9353E+01 -1.1223E+01 -9.5776E+00 H1 1415 1.008000 0.423800 -1.8761E+01 -1.1219E+01 -9.7612E+00 H2 1416 1.008000 0.423800 1.9167E+01 -1.0691E+01 -8.7515E+00 O6 1417 15.999400 -0.847600 -5.4873E+00 2.2148E+00 7.2442E+00 H1 1418 1.008000 0.423800 -5.9474E+00 3.0029E+00 7.6532E+00 H2 1419 1.008000 0.423800 -5.0028E+00 1.7056E+00 7.9555E+00 O6 1420 15.999400 -0.847600 -1.7945E+01 1.4657E+01 3.9282E+00 H1 1421 1.008000 0.423800 -1.7107E+01 1.4125E+01 3.8082E+00 H2 1422 1.008000 0.423800 -1.8537E+01 1.4202E+01 4.5928E+00 O6 1423 15.999400 -0.847600 5.9955E+00 1.9000E+01 2.2651E+00 H1 1424 1.008000 0.423800 6.1423E+00 1.8100E+01 1.8537E+00 H2 1425 1.008000 0.423800 6.6162E+00 1.9117E+01 3.0403E+00 O6 1426 15.999400 -0.847600 -1.4559E+00 -9.7048E+00 -4.2847E+00 H1 1427 1.008000 0.423800 -5.4040E-01 -1.0014E+01 -4.0272E+00 H2 1428 1.008000 0.423800 -1.5517E+00 -8.7326E+00 -4.0711E+00 O6 1429 15.999400 -0.847600 -1.5910E+00 -1.5164E+01 1.5740E+01 H1 1430 1.008000 0.423800 -1.0028E+00 -1.5930E+01 1.5480E+01 H2 1431 1.008000 0.423800 -1.8261E+00 -1.4633E+01 1.4926E+01 O6 1432 15.999400 -0.847600 -5.5441E+00 1.1311E+00 -1.8978E+01 H1 1433 1.008000 0.423800 -5.8852E+00 2.0520E+00 -1.8789E+01 H2 1434 1.008000 0.423800 -4.5485E+00 1.1563E+00 -1.9067E+01 O6 1435 15.999400 -0.847600 -1.7210E+01 -5.2142E-01 1.2528E+01 H1 1436 1.008000 0.423800 -1.6830E+01 -1.4389E+00 1.2645E+01 H2 1437 1.008000 0.423800 -1.8035E+01 -4.2927E-01 1.3086E+01 O6 1438 15.999400 -0.847600 -6.4415E+00 1.0648E+01 -1.3441E+01 H1 1439 1.008000 0.423800 -5.8422E+00 1.0793E+01 -1.4228E+01 H2 1440 1.008000 0.423800 -6.3147E+00 1.1391E+01 -1.2784E+01 O6 1441 15.999400 -0.847600 -1.0196E+01 8.0238E+00 -2.9478E+00 H1 1442 1.008000 0.423800 -1.0210E+01 9.0070E+00 -2.7656E+00 H2 1443 1.008000 0.423800 -1.0341E+01 7.5245E+00 -2.0936E+00 O6 1444 15.999400 -0.847600 1.2207E+00 3.8712E+00 2.9680E+00 H1 1445 1.008000 0.423800 2.0690E+00 3.3573E+00 2.8401E+00 H2 1446 1.008000 0.423800 7.9184E-01 4.0330E+00 2.0792E+00 O6 1447 15.999400 -0.847600 1.3500E+01 1.2313E+01 -9.3911E+00 H1 1448 1.008000 0.423800 1.2947E+01 1.1786E+01 -1.0037E+01 H2 1449 1.008000 0.423800 1.3274E+01 1.3283E+01 -9.4732E+00 O6 1450 15.999400 -0.847600 1.8648E+01 -1.6873E+01 -3.0259E+00 H1 1451 1.008000 0.423800 1.8648E+01 -1.7866E+01 -3.1378E+00 H2 1452 1.008000 0.423800 1.7712E+01 -1.6556E+01 -2.8712E+00 O6 1453 15.999400 -0.847600 6.9738E+00 2.4831E+00 -6.7556E+00 H1 1454 1.008000 0.423800 7.7300E+00 2.8697E+00 -7.2836E+00 H2 1455 1.008000 0.423800 7.1863E+00 1.5366E+00 -6.5131E+00 O6 1456 15.999400 -0.847600 8.3785E+00 -3.0460E+00 -9.4344E+00 H1 1457 1.008000 0.423800 9.3468E+00 -2.8180E+00 -9.5369E+00 H2 1458 1.008000 0.423800 7.8233E+00 -2.3639E+00 -9.9103E+00 O6 1459 15.999400 -0.847600 1.2090E+01 1.2549E+01 -1.5141E+00 H1 1460 1.008000 0.423800 1.1628E+01 1.1882E+01 -2.0988E+00 H2 1461 1.008000 0.423800 1.1411E+01 1.3154E+01 -1.0971E+00 O6 1462 15.999400 -0.847600 1.8233E+01 1.8075E+01 1.5256E+01 H1 1463 1.008000 0.423800 1.7807E+01 1.8964E+01 1.5087E+01 H2 1464 1.008000 0.423800 1.7523E+01 1.7376E+01 1.5343E+01 O6 1465 15.999400 -0.847600 -8.6135E+00 2.3728E+00 -2.2919E+00 H1 1466 1.008000 0.423800 -7.9640E+00 2.7275E+00 -2.9644E+00 H2 1467 1.008000 0.423800 -8.9927E+00 3.1317E+00 -1.7624E+00 O6 1468 15.999400 -0.847600 3.9942E+00 3.6780E+00 7.4877E+00 H1 1469 1.008000 0.423800 4.5484E+00 3.4512E+00 8.2887E+00 H2 1470 1.008000 0.423800 3.1072E+00 4.0309E+00 7.7853E+00 O6 1471 15.999400 -0.847600 1.8269E+01 1.4565E+01 7.0661E+00 H1 1472 1.008000 0.423800 1.7895E+01 1.4569E+01 6.1386E+00 H2 1473 1.008000 0.423800 1.9148E+01 1.5042E+01 7.0731E+00 O6 1474 15.999400 -0.847600 1.7184E+01 -1.8593E+01 1.4487E+01 H1 1475 1.008000 0.423800 1.7891E+01 -1.8212E+01 1.3891E+01 H2 1476 1.008000 0.423800 1.7020E+01 -1.7969E+01 1.5251E+01 O6 1477 15.999400 -0.847600 7.4380E+00 1.1240E+01 -1.1009E+01 H1 1478 1.008000 0.423800 7.0936E+00 1.0480E+01 -1.1560E+01 H2 1479 1.008000 0.423800 6.8170E+00 1.2020E+01 -1.1092E+01 O6 1480 15.999400 -0.847600 -3.0675E+00 -1.2605E+01 -8.1882E+00 H1 1481 1.008000 0.423800 -2.4444E+00 -1.2124E+01 -7.5711E+00 H2 1482 1.008000 0.423800 -3.8624E+00 -1.2027E+01 -8.3751E+00 O6 1483 15.999400 -0.847600 3.7623E-01 1.6006E+01 -8.4256E+00 H1 1484 1.008000 0.423800 6.8977E-01 1.5541E+01 -9.2535E+00 H2 1485 1.008000 0.423800 -5.8235E-01 1.6269E+01 -8.5340E+00 O6 1486 15.999400 -0.847600 -1.5086E+01 -1.8483E+01 -1.1458E+01 H1 1487 1.008000 0.423800 -1.4969E+01 -1.7918E+01 -1.2275E+01 H2 1488 1.008000 0.423800 -1.4273E+01 -1.8406E+01 -1.0880E+01 O6 1489 15.999400 -0.847600 1.2340E+01 -8.1419E+00 -7.4442E+00 H1 1490 1.008000 0.423800 1.2540E+01 -8.3872E+00 -6.4956E+00 H2 1491 1.008000 0.423800 1.3123E+01 -7.6595E+00 -7.8359E+00 O6 1492 15.999400 -0.847600 -1.3359E+01 3.0227E+00 1.6978E+01 H1 1493 1.008000 0.423800 -1.2832E+01 3.6088E+00 1.6362E+01 H2 1494 1.008000 0.423800 -1.2736E+01 2.5412E+00 1.7594E+01 O6 1495 15.999400 -0.847600 -1.2250E+01 -1.6819E+01 -1.7117E+01 H1 1496 1.008000 0.423800 -1.1688E+01 -1.6001E+01 -1.6999E+01 H2 1497 1.008000 0.423800 -1.1866E+01 -1.7568E+01 -1.6577E+01 O6 1498 15.999400 -0.847600 1.4681E+01 1.1755E+01 -2.2900E+00 H1 1499 1.008000 0.423800 1.3745E+01 1.1883E+01 -1.9613E+00 H2 1500 1.008000 0.423800 1.5301E+01 1.2338E+01 -1.7653E+00 O6 1501 15.999400 -0.847600 -1.7716E+01 9.9750E+00 4.4594E+00 H1 1502 1.008000 0.423800 -1.8606E+01 1.0391E+01 4.2713E+00 H2 1503 1.008000 0.423800 -1.7779E+01 8.9842E+00 4.3395E+00 O6 1504 15.999400 -0.847600 -6.7929E-01 1.4163E+01 2.8659E+00 H1 1505 1.008000 0.423800 -6.5344E-01 1.3917E+01 1.8968E+00 H2 1506 1.008000 0.423800 -1.1767E+00 1.5023E+01 2.9787E+00 O6 1507 15.999400 -0.847600 -1.8408E+01 -1.4579E+01 -8.8813E+00 H1 1508 1.008000 0.423800 -1.8003E+01 -1.5472E+01 -8.6831E+00 H2 1509 1.008000 0.423800 -1.9354E+01 -1.4564E+01 -8.5572E+00 O6 1510 15.999400 -0.847600 -9.3505E+00 7.2214E+00 4.1727E+00 H1 1511 1.008000 0.423800 -8.6940E+00 7.3286E+00 4.9194E+00 H2 1512 1.008000 0.423800 -9.4738E+00 6.2491E+00 3.9743E+00 O6 1513 15.999400 -0.847600 7.9995E+00 -1.3363E+01 2.7477E+00 H1 1514 1.008000 0.423800 8.9915E+00 -1.3273E+01 2.8356E+00 H2 1515 1.008000 0.423800 7.5734E+00 -1.2464E+01 2.8426E+00 O6 1516 15.999400 -0.847600 4.2225E+00 -9.0199E+00 1.4875E+00 H1 1517 1.008000 0.423800 4.9930E+00 -8.3844E+00 1.5378E+00 H2 1518 1.008000 0.423800 3.5801E+00 -8.8240E+00 2.2284E+00 O6 1519 15.999400 -0.847600 1.6082E+01 -7.8167E+00 -8.9779E+00 H1 1520 1.008000 0.423800 1.6904E+01 -8.2105E+00 -8.5657E+00 H2 1521 1.008000 0.423800 1.5695E+01 -7.1324E+00 -8.3601E+00 O6 1522 15.999400 -0.847600 1.7041E+01 1.9108E+01 -1.2134E+01 H1 1523 1.008000 0.423800 1.7356E+01 -1.9523E+01 -1.2961E+01 H2 1524 1.008000 0.423800 1.6615E+01 1.8238E+01 -1.2384E+01 O6 1525 15.999400 -0.847600 -1.2261E+01 -6.1557E+00 -1.9538E+01 H1 1526 1.008000 0.423800 -1.1881E+01 -6.0263E+00 1.8644E+01 H2 1527 1.008000 0.423800 -1.3061E+01 -5.5668E+00 -1.9423E+01 O6 1528 15.999400 -0.847600 7.1106E+00 1.9009E+01 8.6432E+00 H1 1529 1.008000 0.423800 6.8597E+00 -1.9539E+01 7.8462E+00 H2 1530 1.008000 0.423800 7.7485E+00 1.8291E+01 8.3654E+00 O6 1531 15.999400 -0.847600 3.7960E+00 9.4196E+00 4.3022E+00 H1 1532 1.008000 0.423800 2.9127E+00 9.8706E+00 4.4304E+00 H2 1533 1.008000 0.423800 3.7552E+00 8.4938E+00 4.6778E+00 O6 1534 15.999400 -0.847600 -6.1226E+00 -1.3713E+01 -8.9354E+00 H1 1535 1.008000 0.423800 -6.8500E+00 -1.3853E+01 -8.2636E+00 H2 1536 1.008000 0.423800 -6.5159E+00 -1.3356E+01 -9.7825E+00 O6 1537 15.999400 -0.847600 1.4040E+01 1.7248E+01 2.8901E+00 H1 1538 1.008000 0.423800 1.3743E+01 1.7977E+01 3.5071E+00 H2 1539 1.008000 0.423800 1.5025E+01 1.7109E+01 2.9883E+00 O6 1540 15.999400 -0.847600 6.0181E+00 -1.4169E+01 5.4087E+00 H1 1541 1.008000 0.423800 6.5464E+00 -1.5016E+01 5.3522E+00 H2 1542 1.008000 0.423800 5.4099E+00 -1.4102E+01 4.6178E+00 O6 1543 15.999400 -0.847600 1.4412E+01 -1.7942E+01 1.3939E+01 H1 1544 1.008000 0.423800 1.5371E+01 -1.8047E+01 1.3677E+01 H2 1545 1.008000 0.423800 1.3886E+01 -1.8721E+01 1.3596E+01 O6 1546 15.999400 -0.847600 2.8287E+00 2.9040E+00 -5.4344E+00 H1 1547 1.008000 0.423800 1.9406E+00 2.4958E+00 -5.6460E+00 H2 1548 1.008000 0.423800 2.7357E+00 3.8986E+00 -5.3883E+00 O6 1549 15.999400 -0.847600 -1.9322E+01 1.2830E+01 5.5519E+00 H1 1550 1.008000 0.423800 1.9494E+01 1.2036E+01 5.0140E+00 H2 1551 1.008000 0.423800 1.9034E+01 1.3096E+01 6.1677E+00 O6 1552 15.999400 -0.847600 -1.5067E+01 1.6877E+01 -7.7705E+00 H1 1553 1.008000 0.423800 -1.6003E+01 1.6674E+01 -8.0570E+00 H2 1554 1.008000 0.423800 -1.4920E+01 1.6532E+01 -6.8434E+00 O6 1555 15.999400 -0.847600 1.3997E+01 1.4880E+01 1.6350E+00 H1 1556 1.008000 0.423800 1.3283E+01 1.4307E+01 2.0372E+00 H2 1557 1.008000 0.423800 1.3901E+01 1.5818E+01 1.9692E+00 O6 1558 15.999400 -0.847600 1.4027E+01 1.8393E+01 5.5106E+00 H1 1559 1.008000 0.423800 1.4867E+01 1.8221E+01 6.0248E+00 H2 1560 1.008000 0.423800 1.3553E+01 1.9183E+01 5.8999E+00 O6 1561 15.999400 -0.847600 1.2200E+01 7.5290E+00 -2.5151E+00 H1 1562 1.008000 0.423800 1.1431E+01 7.8981E+00 -1.9934E+00 H2 1563 1.008000 0.423800 1.1875E+01 6.7989E+00 -3.1162E+00 O6 1564 15.999400 -0.847600 -1.0611E+01 9.3454E+00 -1.2364E+01 H1 1565 1.008000 0.423800 -1.1247E+01 8.9313E+00 -1.3015E+01 H2 1566 1.008000 0.423800 -9.6913E+00 9.3560E+00 -1.2758E+01 O6 1567 15.999400 -0.847600 -1.1974E+00 -4.2461E+00 -1.6954E+01 H1 1568 1.008000 0.423800 -7.1259E-01 -4.4062E+00 -1.6094E+01 H2 1569 1.008000 0.423800 -1.4782E+00 -5.1220E+00 -1.7346E+01 O6 1570 15.999400 -0.847600 -1.2688E+01 -3.5783E+00 -5.7941E+00 H1 1571 1.008000 0.423800 -1.2751E+01 -2.7227E+00 -5.2802E+00 H2 1572 1.008000 0.423800 -1.1731E+01 -3.7662E+00 -6.0124E+00 O6 1573 15.999400 -0.847600 -1.4330E+01 -4.4279E+00 -1.8984E+01 H1 1574 1.008000 0.423800 -1.4807E+01 -3.6801E+00 -1.9445E+01 H2 1575 1.008000 0.423800 -1.4743E+01 -4.5834E+00 -1.8087E+01 O6 1576 15.999400 -0.847600 5.8953E+00 -1.3659E+01 -1.7701E+01 H1 1577 1.008000 0.423800 5.8634E+00 -1.3192E+01 -1.8585E+01 H2 1578 1.008000 0.423800 5.9602E+00 -1.4646E+01 -1.7848E+01 O6 1579 15.999400 -0.847600 -1.7265E+01 -1.8805E+00 4.4850E+00 H1 1580 1.008000 0.423800 -1.7652E+01 -1.6958E+00 5.3884E+00 H2 1581 1.008000 0.423800 -1.7969E+01 -1.7462E+00 3.7872E+00 O6 1582 15.999400 -0.847600 -1.6534E+01 -3.0763E+00 7.9655E+00 H1 1583 1.008000 0.423800 -1.6482E+01 -3.9070E+00 7.4111E+00 H2 1584 1.008000 0.423800 -1.6623E+01 -3.3244E+00 8.9301E+00 O6 1585 15.999400 -0.847600 -2.3133E+00 -1.8719E+01 -1.3598E+01 H1 1586 1.008000 0.423800 -2.6818E+00 -1.8717E+01 -1.4527E+01 H2 1587 1.008000 0.423800 -3.0072E+00 -1.9062E+01 -1.2965E+01 O6 1588 15.999400 -0.847600 1.7010E+01 6.3184E+00 7.5436E+00 H1 1589 1.008000 0.423800 1.6146E+01 6.1571E+00 8.0204E+00 H2 1590 1.008000 0.423800 1.7748E+01 6.4045E+00 8.2122E+00 O6 1591 15.999400 -0.847600 -4.1286E+00 -1.4700E+01 -6.8208E+00 H1 1592 1.008000 0.423800 -4.8049E+00 -1.5140E+01 -7.4114E+00 H2 1593 1.008000 0.423800 -3.6752E+00 -1.3964E+01 -7.3241E+00 O6 1594 15.999400 -0.847600 2.1721E+00 1.4926E+01 1.5877E+01 H1 1595 1.008000 0.423800 2.0057E+00 1.4921E+01 1.4891E+01 H2 1596 1.008000 0.423800 2.8946E+00 1.5584E+01 1.6090E+01 O6 1597 15.999400 -0.847600 -1.9527E+01 1.0407E+00 5.4974E+00 H1 1598 1.008000 0.423800 -1.9163E+01 1.7045E-01 5.8296E+00 H2 1599 1.008000 0.423800 1.9123E+01 1.5238E+00 6.2499E+00 O6 1600 15.999400 -0.847600 1.5495E+01 -4.1959E+00 -1.2279E+01 H1 1601 1.008000 0.423800 1.5992E+01 -4.2380E+00 -1.3145E+01 H2 1602 1.008000 0.423800 1.5799E+01 -4.9399E+00 -1.1684E+01 O6 1603 15.999400 -0.847600 -1.6761E+01 -9.2927E+00 -2.7155E+00 H1 1604 1.008000 0.423800 -1.7327E+01 -1.0116E+01 -2.6627E+00 H2 1605 1.008000 0.423800 -1.6582E+01 -8.9512E+00 -1.7928E+00 O6 1606 15.999400 -0.847600 -4.1919E-01 1.1980E+01 8.6980E+00 H1 1607 1.008000 0.423800 3.2734E-01 1.1695E+01 9.2996E+00 H2 1608 1.008000 0.423800 -2.9336E-01 1.2938E+01 8.4406E+00 O6 1609 15.999400 -0.847600 -1.1434E+01 5.3038E+00 1.3175E+01 H1 1610 1.008000 0.423800 -1.1007E+01 6.1762E+00 1.2937E+01 H2 1611 1.008000 0.423800 -1.2387E+01 5.3055E+00 1.2873E+01 O6 1612 15.999400 -0.847600 1.5392E+00 -7.5159E+00 -5.9171E+00 H1 1613 1.008000 0.423800 6.3111E-01 -7.0988E+00 -5.8787E+00 H2 1614 1.008000 0.423800 1.6801E+00 -8.0828E+00 -5.1054E+00 O6 1615 15.999400 -0.847600 3.7414E+00 1.4798E+01 1.9358E+01 H1 1616 1.008000 0.423800 4.3493E+00 1.4318E+01 1.8726E+01 H2 1617 1.008000 0.423800 3.9870E+00 1.4563E+01 -1.8799E+01 O6 1618 15.999400 -0.847600 8.1091E+00 3.3340E+00 -2.9490E+00 H1 1619 1.008000 0.423800 8.7837E+00 3.4768E+00 -3.6732E+00 H2 1620 1.008000 0.423800 7.4517E+00 4.0875E+00 -2.9528E+00 O6 1621 15.999400 -0.847600 -1.3481E+01 1.8214E+01 -1.1898E+01 H1 1622 1.008000 0.423800 -1.3965E+01 1.8961E+01 -1.1443E+01 H2 1623 1.008000 0.423800 -1.3231E+01 1.8494E+01 -1.2825E+01 O6 1624 15.999400 -0.847600 -3.7019E+00 1.3191E+01 -1.3637E+01 H1 1625 1.008000 0.423800 -3.7212E+00 1.2579E+01 -1.4427E+01 H2 1626 1.008000 0.423800 -2.7579E+00 1.3308E+01 -1.3328E+01 O6 1627 15.999400 -0.847600 4.6416E+00 5.5119E+00 1.1176E+01 H1 1628 1.008000 0.423800 4.7159E+00 4.6370E+00 1.0697E+01 H2 1629 1.008000 0.423800 3.8520E+00 5.4905E+00 1.1789E+01 O6 1630 15.999400 -0.847600 -6.1407E+00 -2.9000E+00 -1.6836E+01 H1 1631 1.008000 0.423800 -6.8632E+00 -3.4847E+00 -1.6467E+01 H2 1632 1.008000 0.423800 -6.5517E+00 -2.1191E+00 -1.7306E+01 O6 1633 15.999400 -0.847600 -1.0092E+01 4.0623E+00 1.8935E+01 H1 1634 1.008000 0.423800 -1.1028E+01 4.1422E+00 1.9279E+01 H2 1635 1.008000 0.423800 -9.5977E+00 4.9127E+00 1.9114E+01 O6 1636 15.999400 -0.847600 -1.2702E+01 -1.4830E+01 -1.4584E+01 H1 1637 1.008000 0.423800 -1.1972E+01 -1.4900E+01 -1.5264E+01 H2 1638 1.008000 0.423800 -1.2300E+01 -1.4767E+01 -1.3670E+01 O6 1639 15.999400 -0.847600 -7.2491E+00 -9.8149E+00 -2.0000E-02 H1 1640 1.008000 0.423800 -6.6565E+00 -1.0506E+01 3.9355E-01 H2 1641 1.008000 0.423800 -7.9196E+00 -9.5045E+00 6.5378E-01 O6 1642 15.999400 -0.847600 3.3160E+00 -4.6677E+00 -1.6072E+01 H1 1643 1.008000 0.423800 2.9572E+00 -4.5514E+00 -1.6998E+01 H2 1644 1.008000 0.423800 3.8912E+00 -5.4849E+00 -1.6037E+01 O6 1645 15.999400 -0.847600 1.0824E+01 1.4602E+01 -1.3859E+01 H1 1646 1.008000 0.423800 1.1704E+01 1.4681E+01 -1.4327E+01 H2 1647 1.008000 0.423800 1.0194E+01 1.4066E+01 -1.4421E+01 O6 1648 15.999400 -0.847600 -1.0262E+01 -7.7987E+00 -1.5091E+01 H1 1649 1.008000 0.423800 -1.0881E+01 -7.2290E+00 -1.5632E+01 H2 1650 1.008000 0.423800 -1.0514E+01 -7.7393E+00 -1.4125E+01 O6 1651 15.999400 -0.847600 -3.1496E+00 6.8089E+00 1.3846E+01 H1 1652 1.008000 0.423800 -4.0330E+00 7.1210E+00 1.4195E+01 H2 1653 1.008000 0.423800 -2.6054E+00 7.5987E+00 1.3563E+01 O6 1654 15.999400 -0.847600 -1.7727E+01 -8.2291E+00 1.1957E+01 H1 1655 1.008000 0.423800 -1.8143E+01 -7.3317E+00 1.1808E+01 H2 1656 1.008000 0.423800 -1.6731E+01 -8.1441E+00 1.1931E+01 O6 1657 15.999400 -0.847600 -7.0538E+00 3.8833E+00 -1.6501E+01 H1 1658 1.008000 0.423800 -6.4591E+00 4.6309E+00 -1.6206E+01 H2 1659 1.008000 0.423800 -6.6626E+00 3.0107E+00 -1.6209E+01 O6 1660 15.999400 -0.847600 -1.1907E+01 -5.9123E+00 6.3984E+00 H1 1661 1.008000 0.423800 -1.1072E+01 -5.4050E+00 6.6107E+00 H2 1662 1.008000 0.423800 -1.2508E+01 -5.9135E+00 7.1973E+00 O6 1663 15.999400 -0.847600 -4.0203E+00 1.0189E+01 -6.8157E+00 H1 1664 1.008000 0.423800 -3.9199E+00 9.2843E+00 -7.2293E+00 H2 1665 1.008000 0.423800 -4.9182E+00 1.0259E+01 -6.3810E+00 O6 1666 15.999400 -0.847600 1.5649E+01 6.8490E+00 1.4043E+01 H1 1667 1.008000 0.423800 1.6321E+01 6.9804E+00 1.4772E+01 H2 1668 1.008000 0.423800 1.5341E+01 5.8975E+00 1.4041E+01 O6 1669 15.999400 -0.847600 -1.5471E+01 1.8505E+01 4.5831E+00 H1 1670 1.008000 0.423800 -1.6328E+01 1.8150E+01 4.2109E+00 H2 1671 1.008000 0.423800 -1.4964E+01 1.7761E+01 5.0186E+00 O6 1672 15.999400 -0.847600 1.8884E+00 -2.8269E+00 1.3048E+01 H1 1673 1.008000 0.423800 1.5193E+00 -2.7049E+00 1.2127E+01 H2 1674 1.008000 0.423800 1.3214E+00 -2.3274E+00 1.3703E+01 O6 1675 15.999400 -0.847600 4.5627E+00 7.2646E-01 1.2159E+01 H1 1676 1.008000 0.423800 3.6074E+00 9.9979E-01 1.2046E+01 H2 1677 1.008000 0.423800 4.6030E+00 -2.1660E-01 1.2489E+01 O6 1678 15.999400 -0.847600 1.0473E+01 7.4093E+00 -1.8100E+01 H1 1679 1.008000 0.423800 1.1460E+01 7.5314E+00 -1.7993E+01 H2 1680 1.008000 0.423800 1.0295E+01 6.7818E+00 -1.8858E+01 O6 1681 15.999400 -0.847600 -2.7180E-01 1.7489E+01 1.3748E+00 H1 1682 1.008000 0.423800 5.1878E-01 1.6913E+01 1.1659E+00 H2 1683 1.008000 0.423800 -4.9966E-01 1.8045E+01 5.7558E-01 O6 1684 15.999400 -0.847600 -1.8593E+01 -5.4123E+00 -6.1582E+00 H1 1685 1.008000 0.423800 -1.7814E+01 -5.4811E+00 -6.7817E+00 H2 1686 1.008000 0.423800 -1.8380E+01 -4.7617E+00 -5.4292E+00 O6 1687 15.999400 -0.847600 2.9866E+00 1.2803E+01 4.1416E+00 H1 1688 1.008000 0.423800 2.1498E+00 1.3250E+01 4.4580E+00 H2 1689 1.008000 0.423800 3.4856E+00 1.2436E+01 4.9266E+00 O6 1690 15.999400 -0.847600 5.6422E+00 1.4909E+01 -1.4738E+01 H1 1691 1.008000 0.423800 6.0804E+00 1.5807E+01 -1.4780E+01 H2 1692 1.008000 0.423800 4.9576E+00 1.4906E+01 -1.4009E+01 O6 1693 15.999400 -0.847600 1.2931E+01 -1.3552E+01 2.4267E+00 H1 1694 1.008000 0.423800 1.3340E+01 -1.2740E+01 2.8426E+00 H2 1695 1.008000 0.423800 1.3492E+01 -1.3849E+01 1.6537E+00 O6 1696 15.999400 -0.847600 1.1909E+01 1.6441E+01 -1.1901E+01 H1 1697 1.008000 0.423800 1.1496E+01 1.5704E+01 -1.2436E+01 H2 1698 1.008000 0.423800 1.1333E+01 1.7256E+01 -1.1956E+01 O6 1699 15.999400 -0.847600 -1.5081E+01 1.8371E+01 -1.7411E+01 H1 1700 1.008000 0.423800 -1.5187E+01 1.8568E+01 -1.6436E+01 H2 1701 1.008000 0.423800 -1.4538E+01 1.9093E+01 -1.7839E+01 O6 1702 15.999400 -0.847600 -3.2234E-01 1.1031E+01 -7.1222E+00 H1 1703 1.008000 0.423800 -2.3046E-01 1.0469E+01 -7.9443E+00 H2 1704 1.008000 0.423800 -1.1715E+00 1.1557E+01 -7.1712E+00 O6 1705 15.999400 -0.847600 1.4977E+01 -1.6064E+00 1.5174E+01 H1 1706 1.008000 0.423800 1.4505E+01 -1.4021E+00 1.4316E+01 H2 1707 1.008000 0.423800 1.4711E+01 -9.3721E-01 1.5868E+01 O6 1708 15.999400 -0.847600 -1.6289E+01 5.6792E+00 1.1354E+01 H1 1709 1.008000 0.423800 -1.6886E+01 4.8915E+00 1.1506E+01 H2 1710 1.008000 0.423800 -1.6844E+01 6.5061E+00 1.1266E+01 O6 1711 15.999400 -0.847600 -1.8738E+01 1.0804E+01 9.1569E+00 H1 1712 1.008000 0.423800 -1.8273E+01 1.1681E+01 9.0330E+00 H2 1713 1.008000 0.423800 -1.8437E+01 1.0164E+01 8.4496E+00 O6 1714 15.999400 -0.847600 -1.5442E+01 -9.6358E+00 9.3962E-01 H1 1715 1.008000 0.423800 -1.6022E+01 -1.0338E+01 5.2656E-01 H2 1716 1.008000 0.423800 -1.6006E+01 -8.8569E+00 1.2139E+00 O6 1717 15.999400 -0.847600 1.6350E+01 -4.6372E+00 -1.5747E+01 H1 1718 1.008000 0.423800 1.5781E+01 -5.3096E+00 -1.5274E+01 H2 1719 1.008000 0.423800 1.6283E+01 -4.7802E+00 -1.6735E+01 O6 1720 15.999400 -0.847600 -1.6167E+01 1.2505E+01 2.6516E+00 H1 1721 1.008000 0.423800 -1.7047E+01 1.2093E+01 2.4137E+00 H2 1722 1.008000 0.423800 -1.5457E+01 1.1802E+01 2.6470E+00 O6 1723 15.999400 -0.847600 1.8393E+01 1.8504E+01 -1.8680E+01 H1 1724 1.008000 0.423800 1.9391E+01 1.8463E+01 -1.8626E+01 H2 1725 1.008000 0.423800 1.8103E+01 1.8338E+01 1.9476E+01 O6 1726 15.999400 -0.847600 -6.8228E+00 -2.8187E+00 1.0719E+01 H1 1727 1.008000 0.423800 -6.5003E+00 -3.7165E+00 1.0419E+01 H2 1728 1.008000 0.423800 -7.8010E+00 -2.8664E+00 1.0921E+01 O6 1729 15.999400 -0.847600 5.5463E+00 1.2478E+01 -1.8949E+01 H1 1730 1.008000 0.423800 5.0860E+00 1.2788E+01 -1.8117E+01 H2 1731 1.008000 0.423800 5.0137E+00 1.1744E+01 -1.9371E+01 O6 1732 15.999400 -0.847600 -1.4043E+00 9.8441E+00 -1.6681E+01 H1 1733 1.008000 0.423800 -9.6665E-01 9.6658E+00 -1.5799E+01 H2 1734 1.008000 0.423800 -1.7400E+00 8.9846E+00 -1.7066E+01 O6 1735 15.999400 -0.847600 -1.6711E+01 1.2113E+01 -1.7392E+00 H1 1736 1.008000 0.423800 -1.7165E+01 1.2908E+01 -1.3365E+00 H2 1737 1.008000 0.423800 -1.6243E+01 1.1597E+01 -1.0214E+00 O6 1738 15.999400 -0.847600 -7.6277E+00 1.7843E+01 -1.4539E+01 H1 1739 1.008000 0.423800 -7.2609E+00 1.8530E+01 -1.5167E+01 H2 1740 1.008000 0.423800 -8.4749E+00 1.7467E+01 -1.4914E+01 O6 1741 15.999400 -0.847600 -2.1515E+00 -1.0752E+01 -1.6043E+01 H1 1742 1.008000 0.423800 -1.7141E+00 -1.1055E+01 -1.5196E+01 H2 1743 1.008000 0.423800 -1.9437E+00 -9.7865E+00 -1.6198E+01 O6 1744 15.999400 -0.847600 -1.6305E+01 -1.3553E+01 9.4793E+00 H1 1745 1.008000 0.423800 -1.6387E+01 -1.3766E+01 8.5057E+00 H2 1746 1.008000 0.423800 -1.5763E+01 -1.4261E+01 9.9314E+00 O6 1747 15.999400 -0.847600 9.3889E+00 7.3246E+00 1.4869E+01 H1 1748 1.008000 0.423800 1.0003E+01 8.0492E+00 1.5182E+01 H2 1749 1.008000 0.423800 8.6706E+00 7.1796E+00 1.5549E+01 O6 1750 15.999400 -0.847600 -5.3272E+00 3.8654E+00 1.4357E+01 H1 1751 1.008000 0.423800 -5.5077E+00 2.9566E+00 1.3980E+01 H2 1752 1.008000 0.423800 -4.9039E+00 3.7749E+00 1.5258E+01 O6 1753 15.999400 -0.847600 -1.7064E+01 -7.8857E+00 -1.5159E+01 H1 1754 1.008000 0.423800 -1.7378E+01 -7.2635E+00 -1.5877E+01 H2 1755 1.008000 0.423800 -1.7822E+01 -8.4715E+00 -1.4872E+01 O6 1756 15.999400 -0.847600 -6.9157E+00 1.5171E+01 -8.1880E+00 H1 1757 1.008000 0.423800 -6.9949E+00 1.5946E+01 -8.8152E+00 H2 1758 1.008000 0.423800 -6.3729E+00 1.4449E+01 -8.6172E+00 O6 1759 15.999400 -0.847600 -1.4917E+00 1.8381E+01 -7.8492E-01 H1 1760 1.008000 0.423800 -1.7762E+00 1.8043E+01 -1.6821E+00 H2 1761 1.008000 0.423800 -2.2978E+00 1.8516E+01 -2.0856E-01 O6 1762 15.999400 -0.847600 1.8129E+01 8.5770E-01 1.6792E+01 H1 1763 1.008000 0.423800 1.8381E+01 2.1009E-02 1.7278E+01 H2 1764 1.008000 0.423800 1.7844E+01 1.5533E+00 1.7451E+01 O6 1765 15.999400 -0.847600 -1.9026E+00 1.2762E+01 1.2965E+01 H1 1766 1.008000 0.423800 -2.0986E+00 1.1782E+01 1.2929E+01 H2 1767 1.008000 0.423800 -1.2157E+00 1.2991E+01 1.2275E+01 O6 1768 15.999400 -0.847600 1.3021E+01 1.1513E+01 1.5376E+01 H1 1769 1.008000 0.423800 1.2690E+01 1.2456E+01 1.5382E+01 H2 1770 1.008000 0.423800 1.3657E+01 1.1378E+01 1.6136E+01 O6 1771 15.999400 -0.847600 4.2516E+00 -1.1905E+01 2.9487E+00 H1 1772 1.008000 0.423800 3.5373E+00 -1.1506E+01 3.5237E+00 H2 1773 1.008000 0.423800 5.0769E+00 -1.1343E+01 3.0045E+00 O6 1774 15.999400 -0.847600 -6.4580E+00 1.4674E+01 1.8971E+01 H1 1775 1.008000 0.423800 -5.9581E+00 1.3837E+01 1.9193E+01 H2 1776 1.008000 0.423800 -7.3414E+00 1.4668E+01 1.9440E+01 O6 1777 15.999400 -0.847600 -1.3833E+01 -5.8236E+00 -3.1706E+00 H1 1778 1.008000 0.423800 -1.4209E+01 -5.5478E+00 -4.0553E+00 H2 1779 1.008000 0.423800 -1.3311E+01 -5.0658E+00 -2.7795E+00 O6 1780 15.999400 -0.847600 -1.1995E+00 8.9248E+00 -2.7923E+00 H1 1781 1.008000 0.423800 -8.0997E-01 8.2229E+00 -3.3887E+00 H2 1782 1.008000 0.423800 -1.9529E+00 8.5329E+00 -2.2644E+00 O6 1783 15.999400 -0.847600 6.5399E+00 -1.7107E+01 1.4170E+01 H1 1784 1.008000 0.423800 5.6908E+00 -1.7105E+01 1.3642E+01 H2 1785 1.008000 0.423800 6.9579E+00 -1.8014E+01 1.4125E+01 O6 1786 15.999400 -0.847600 1.8911E+01 1.1198E+01 3.6712E+00 H1 1787 1.008000 0.423800 1.9281E+01 1.1392E+01 2.7623E+00 H2 1788 1.008000 0.423800 1.7977E+01 1.0853E+01 3.5846E+00 O6 1789 15.999400 -0.847600 7.6072E+00 -1.2472E+01 -1.6218E+01 H1 1790 1.008000 0.423800 7.1767E+00 -1.2968E+01 -1.6973E+01 H2 1791 1.008000 0.423800 7.8052E+00 -1.1535E+01 -1.6505E+01 O6 1792 15.999400 -0.847600 -1.1706E+01 1.1748E+01 -1.1803E+01 H1 1793 1.008000 0.423800 -1.1483E+01 1.0802E+01 -1.2040E+01 H2 1794 1.008000 0.423800 -1.1787E+01 1.1831E+01 -1.0810E+01 O6 1795 15.999400 -0.847600 1.4038E+01 -6.0276E+00 -7.7792E+00 H1 1796 1.008000 0.423800 1.4158E+01 -5.8782E+00 -6.7978E+00 H2 1797 1.008000 0.423800 1.4558E+01 -5.3413E+00 -8.2871E+00 O6 1798 15.999400 -0.847600 -1.1766E+00 -3.4767E-01 1.1511E+01 H1 1799 1.008000 0.423800 -1.5261E+00 5.8727E-01 1.1449E+01 H2 1800 1.008000 0.423800 -1.8590E+00 -9.2996E-01 1.1953E+01 O6 1801 15.999400 -0.847600 -1.1951E+00 1.8853E+01 -7.3565E+00 H1 1802 1.008000 0.423800 -6.2830E-01 1.9423E+01 -6.7619E+00 H2 1803 1.008000 0.423800 -1.2407E+00 1.7926E+01 -6.9845E+00 O6 1804 15.999400 -0.847600 -7.0674E+00 -1.7779E+01 1.7535E+01 H1 1805 1.008000 0.423800 -8.0334E+00 -1.8028E+01 1.7466E+01 H2 1806 1.008000 0.423800 -6.7172E+00 -1.7547E+01 1.6628E+01 O6 1807 15.999400 -0.847600 -5.4545E+00 -7.8268E+00 3.2112E+00 H1 1808 1.008000 0.423800 -5.4135E+00 -7.4914E+00 4.1524E+00 H2 1809 1.008000 0.423800 -5.0188E+00 -7.1643E+00 2.6020E+00 O6 1810 15.999400 -0.847600 -4.3290E+00 1.6756E+01 3.5433E-01 H1 1811 1.008000 0.423800 -4.3206E+00 1.6095E+01 1.1039E+00 H2 1812 1.008000 0.423800 -4.3198E+00 1.7684E+01 7.2848E-01 O6 1813 15.999400 -0.847600 -1.8612E+01 -1.5327E+00 6.9377E+00 H1 1814 1.008000 0.423800 -1.9421E+01 -1.5469E+00 7.5257E+00 H2 1815 1.008000 0.423800 -1.7902E+01 -2.1149E+00 7.3336E+00 O6 1816 15.999400 -0.847600 1.1786E+00 4.9350E+00 2.7880E-01 H1 1817 1.008000 0.423800 2.0928E+00 5.3342E+00 2.0841E-01 H2 1818 1.008000 0.423800 6.4021E-01 5.1917E+00 -5.2381E-01 O6 1819 15.999400 -0.847600 5.0537E+00 -2.0654E-01 -1.6910E+01 H1 1820 1.008000 0.423800 4.2195E+00 -1.9229E-01 -1.7462E+01 H2 1821 1.008000 0.423800 5.0273E+00 -9.8735E-01 -1.6286E+01 O6 1822 15.999400 -0.847600 1.1152E+01 -2.3346E+00 -9.4975E+00 H1 1823 1.008000 0.423800 1.1580E+01 -3.2319E+00 -9.3893E+00 H2 1824 1.008000 0.423800 1.1720E+01 -1.6392E+00 -9.0569E+00 O6 1825 15.999400 -0.847600 5.6536E+00 9.7865E+00 9.0919E+00 H1 1826 1.008000 0.423800 5.7482E+00 9.1934E+00 9.8914E+00 H2 1827 1.008000 0.423800 4.6862E+00 9.8741E+00 8.8544E+00 O6 1828 15.999400 -0.847600 -1.8167E+00 1.1302E-01 -3.4167E+00 H1 1829 1.008000 0.423800 -2.0385E+00 -6.7479E-01 -3.9914E+00 H2 1830 1.008000 0.423800 -8.2706E-01 2.5650E-01 -3.4154E+00 O6 1831 15.999400 -0.847600 -1.8387E+01 7.5532E+00 -1.7245E+01 H1 1832 1.008000 0.423800 -1.7790E+01 7.7463E+00 -1.6466E+01 H2 1833 1.008000 0.423800 -1.9009E+01 6.8063E+00 -1.7011E+01 O6 1834 15.999400 -0.847600 -2.6887E+00 1.2456E+01 1.1055E+00 H1 1835 1.008000 0.423800 -1.7436E+00 1.2751E+01 9.6585E-01 H2 1836 1.008000 0.423800 -3.1609E+00 1.2422E+01 2.2475E-01 O6 1837 15.999400 -0.847600 -1.3248E+01 -1.9438E+01 -1.4180E+01 H1 1838 1.008000 0.423800 -1.2345E+01 -1.9158E+01 -1.4505E+01 H2 1839 1.008000 0.423800 -1.3858E+01 -1.8646E+01 -1.4168E+01 O6 1840 15.999400 -0.847600 -1.8104E+01 1.5287E+01 -5.5568E+00 H1 1841 1.008000 0.423800 -1.7488E+01 1.5805E+01 -4.9636E+00 H2 1842 1.008000 0.423800 -1.7644E+01 1.5086E+01 -6.4215E+00 O6 1843 15.999400 -0.847600 1.0668E+01 1.1453E+01 3.5615E+00 H1 1844 1.008000 0.423800 1.0193E+01 1.2228E+01 3.9788E+00 H2 1845 1.008000 0.423800 1.0107E+01 1.1077E+01 2.8242E+00 O6 1846 15.999400 -0.847600 1.8284E+01 1.8798E+01 -1.5933E+01 H1 1847 1.008000 0.423800 1.7730E+01 1.8419E+01 -1.6674E+01 H2 1848 1.008000 0.423800 1.8702E+01 1.8052E+01 -1.5414E+01 O6 1849 15.999400 -0.847600 -1.2437E+01 4.7644E+00 -8.4981E+00 H1 1850 1.008000 0.423800 -1.3133E+01 4.3477E+00 -9.0833E+00 H2 1851 1.008000 0.423800 -1.2850E+01 5.0285E+00 -7.6263E+00 O6 1852 15.999400 -0.847600 -1.7514E+01 2.9561E+00 -2.6983E-01 H1 1853 1.008000 0.423800 -1.7502E+01 3.9247E+00 -5.1846E-01 H2 1854 1.008000 0.423800 -1.7198E+01 2.8500E+00 6.7299E-01 O6 1855 15.999400 -0.847600 1.2414E+01 -1.0886E+01 -1.0758E+01 H1 1856 1.008000 0.423800 1.1953E+01 -1.0026E+01 -1.0977E+01 H2 1857 1.008000 0.423800 1.3382E+01 -1.0709E+01 -1.0582E+01 O6 1858 15.999400 -0.847600 -3.9086E+00 -1.0319E+01 -1.3131E+00 H1 1859 1.008000 0.423800 -3.4375E+00 -9.6404E+00 -7.4977E-01 H2 1860 1.008000 0.423800 -4.6488E+00 -9.8765E+00 -1.8192E+00 O6 1861 15.999400 -0.847600 1.6230E+01 -1.8006E+01 1.0591E+01 H1 1862 1.008000 0.423800 1.6475E+01 -1.8462E+01 9.7360E+00 H2 1863 1.008000 0.423800 1.7037E+01 -1.7942E+01 1.1178E+01 O6 1864 15.999400 -0.847600 -1.0766E+01 1.5487E+01 7.4613E+00 H1 1865 1.008000 0.423800 -1.0912E+01 1.6010E+01 6.6213E+00 H2 1866 1.008000 0.423800 -1.1645E+01 1.5159E+01 7.8069E+00 O6 1867 15.999400 -0.847600 -8.3707E+00 6.3310E+00 1.9322E+01 H1 1868 1.008000 0.423800 -7.4504E+00 6.4092E+00 1.8939E+01 H2 1869 1.008000 0.423800 -8.8334E+00 7.2154E+00 1.9262E+01 O6 1870 15.999400 -0.847600 -6.0449E+00 -5.6480E+00 -1.5594E+00 H1 1871 1.008000 0.423800 -6.6960E+00 -4.9915E+00 -1.9403E+00 H2 1872 1.008000 0.423800 -6.4873E+00 -6.1725E+00 -8.3202E-01 O6 1873 15.999400 -0.847600 -1.1765E+01 1.7041E+01 1.0304E+01 H1 1874 1.008000 0.423800 -1.2472E+01 1.6781E+01 9.6464E+00 H2 1875 1.008000 0.423800 -1.1230E+01 1.7801E+01 9.9357E+00 O6 1876 15.999400 -0.847600 3.1900E-01 1.7373E+01 8.1679E+00 H1 1877 1.008000 0.423800 6.1987E-01 1.6553E+01 8.6544E+00 H2 1878 1.008000 0.423800 3.3562E-01 1.8155E+01 8.7910E+00 O6 1879 15.999400 -0.847600 -8.1332E+00 -8.7055E+00 5.9599E+00 H1 1880 1.008000 0.423800 -7.5402E+00 -9.1750E+00 6.6140E+00 H2 1881 1.008000 0.423800 -7.6673E+00 -7.8920E+00 5.6118E+00 O6 1882 15.999400 -0.847600 1.7390E+01 -7.9460E+00 -1.5679E+01 H1 1883 1.008000 0.423800 1.8150E+01 -8.5342E+00 -1.5404E+01 H2 1884 1.008000 0.423800 1.7739E+01 -7.1807E+00 -1.6220E+01 O6 1885 15.999400 -0.847600 -5.6401E+00 1.3641E-01 -2.8607E+00 H1 1886 1.008000 0.423800 -6.0574E+00 5.2449E-01 -2.0390E+00 H2 1887 1.008000 0.423800 -5.1221E+00 8.4600E-01 -3.3383E+00 O6 1888 15.999400 -0.847600 -2.8320E+00 -1.3776E+01 -1.0723E+01 H1 1889 1.008000 0.423800 -2.8240E+00 -1.4771E+01 -1.0615E+01 H2 1890 1.008000 0.423800 -2.9159E+00 -1.3344E+01 -9.8252E+00 O6 1891 15.999400 -0.847600 1.8256E+01 -5.5331E+00 1.0096E+01 H1 1892 1.008000 0.423800 1.7653E+01 -4.7768E+00 1.0349E+01 H2 1893 1.008000 0.423800 1.8979E+01 -5.6260E+00 1.0781E+01 O6 1894 15.999400 -0.847600 -2.1817E+00 1.0719E+01 6.8865E+00 H1 1895 1.008000 0.423800 -1.4952E+00 1.1006E+01 7.5548E+00 H2 1896 1.008000 0.423800 -1.9116E+00 1.1033E+01 5.9761E+00 O6 1897 15.999400 -0.847600 1.4688E+01 -1.3169E+00 2.7248E+00 H1 1898 1.008000 0.423800 1.4610E+01 -3.2362E-01 2.6387E+00 H2 1899 1.008000 0.423800 1.3901E+01 -1.6702E+00 3.2308E+00 O6 1900 15.999400 -0.847600 -1.8237E+01 -2.0757E+00 -9.0999E+00 H1 1901 1.008000 0.423800 -1.7620E+01 -2.6574E+00 -9.6301E+00 H2 1902 1.008000 0.423800 -1.8190E+01 -1.1383E+00 -9.4448E+00 O6 1903 15.999400 -0.847600 -1.1049E+01 1.7974E+01 -1.7705E+01 H1 1904 1.008000 0.423800 -1.1721E+01 1.8429E+01 -1.8289E+01 H2 1905 1.008000 0.423800 -1.1357E+01 1.7044E+01 -1.7505E+01 O6 1906 15.999400 -0.847600 1.0750E+01 5.5971E+00 -1.0709E+01 H1 1907 1.008000 0.423800 1.1212E+01 5.6045E+00 -1.1597E+01 H2 1908 1.008000 0.423800 1.0593E+01 4.6519E+00 -1.0423E+01 O6 1909 15.999400 -0.847600 -4.6177E+00 -1.2736E+00 1.0838E+01 H1 1910 1.008000 0.423800 -5.3602E+00 -1.9344E+00 1.0728E+01 H2 1911 1.008000 0.423800 -4.3337E+00 -1.2476E+00 1.1797E+01 O6 1912 15.999400 -0.847600 -9.9770E+00 1.9346E+01 2.1393E+00 H1 1913 1.008000 0.423800 -9.8382E+00 -1.9240E+01 2.9876E+00 H2 1914 1.008000 0.423800 -1.0793E+01 1.8774E+01 2.2245E+00 O6 1915 15.999400 -0.847600 9.9715E+00 -1.0363E+00 -2.8019E+00 H1 1916 1.008000 0.423800 1.0198E+01 -1.8351E+00 -3.3593E+00 H2 1917 1.008000 0.423800 9.0937E+00 -6.6057E-01 -3.0989E+00 O6 1918 15.999400 -0.847600 -1.0027E+01 1.0663E+01 -2.4182E+00 H1 1919 1.008000 0.423800 -1.0300E+01 1.0578E+01 -1.4597E+00 H2 1920 1.008000 0.423800 -9.4576E+00 1.1477E+01 -2.5318E+00 O6 1921 15.999400 -0.847600 -5.5902E+00 -1.8345E+00 1.8627E+01 H1 1922 1.008000 0.423800 -6.1190E+00 -1.0328E+00 1.8348E+01 H2 1923 1.008000 0.423800 -6.2131E+00 -2.5884E+00 1.8835E+01 O6 1924 15.999400 -0.847600 9.2872E-01 7.2771E+00 -3.5817E+00 H1 1925 1.008000 0.423800 1.8439E+00 7.1697E+00 -3.1932E+00 H2 1926 1.008000 0.423800 8.3063E-01 8.2002E+00 -3.9533E+00 O6 1927 15.999400 -0.847600 -1.6499E+01 1.2966E+01 1.1492E+01 H1 1928 1.008000 0.423800 -1.6230E+01 1.2385E+01 1.2261E+01 H2 1929 1.008000 0.423800 -1.6781E+01 1.3862E+01 1.1834E+01 O6 1930 15.999400 -0.847600 1.0040E+01 -1.6918E+01 -4.8193E+00 H1 1931 1.008000 0.423800 1.0539E+01 -1.6575E+01 -5.6156E+00 H2 1932 1.008000 0.423800 9.0566E+00 -1.6851E+01 -4.9877E+00 O6 1933 15.999400 -0.847600 -5.5551E+00 8.2129E+00 1.3695E+01 H1 1934 1.008000 0.423800 -5.8891E+00 8.3597E+00 1.2764E+01 H2 1935 1.008000 0.423800 -5.2789E+00 9.0883E+00 1.4092E+01 O6 1936 15.999400 -0.847600 -1.7423E+01 -1.5680E+00 1.7753E+01 H1 1937 1.008000 0.423800 -1.6646E+01 -1.7669E+00 1.8349E+01 H2 1938 1.008000 0.423800 -1.8273E+01 -1.8077E+00 1.8222E+01 O6 1939 15.999400 -0.847600 8.1030E+00 -6.0148E+00 -6.0939E+00 H1 1940 1.008000 0.423800 7.8509E+00 -6.9088E+00 -6.4643E+00 H2 1941 1.008000 0.423800 7.5865E+00 -5.3006E+00 -6.5663E+00 O6 1942 15.999400 -0.847600 -1.5039E+00 -1.0166E+01 -1.9534E+01 H1 1943 1.008000 0.423800 -1.0865E+00 -1.0880E+01 -1.8972E+01 H2 1944 1.008000 0.423800 -7.9461E-01 -9.5408E+00 1.9238E+01 O6 1945 15.999400 -0.847600 1.5083E+01 6.9084E+00 1.8604E+01 H1 1946 1.008000 0.423800 1.4216E+01 7.2692E+00 1.8259E+01 H2 1947 1.008000 0.423800 1.5635E+01 7.6587E+00 1.8966E+01 O6 1948 15.999400 -0.847600 -7.1647E+00 1.7383E+01 -5.9857E+00 H1 1949 1.008000 0.423800 -7.4443E+00 1.6750E+01 -6.7077E+00 H2 1950 1.008000 0.423800 -7.9729E+00 1.7701E+01 -5.4907E+00 O6 1951 15.999400 -0.847600 1.8212E+01 -1.3566E+01 1.2005E+01 H1 1952 1.008000 0.423800 1.7255E+01 -1.3517E+01 1.1718E+01 H2 1953 1.008000 0.423800 1.8792E+01 -1.3156E+01 1.1301E+01 O6 1954 15.999400 -0.847600 -1.6864E+01 2.0299E+00 2.2054E+00 H1 1955 1.008000 0.423800 -1.6407E+01 1.4304E+00 2.8627E+00 H2 1956 1.008000 0.423800 -1.7834E+01 1.7925E+00 2.1562E+00 O6 1957 15.999400 -0.847600 -1.2187E+01 5.3885E-01 1.4235E+01 H1 1958 1.008000 0.423800 -1.2891E+01 1.4393E-01 1.4825E+01 H2 1959 1.008000 0.423800 -1.2384E+01 1.5073E+00 1.4082E+01 O6 1960 15.999400 -0.847600 -9.2563E+00 1.2554E+01 -1.3119E+01 H1 1961 1.008000 0.423800 -1.0096E+01 1.2297E+01 -1.2640E+01 H2 1962 1.008000 0.423800 -8.5361E+00 1.1893E+01 -1.2907E+01 O6 1963 15.999400 -0.847600 1.3372E+01 1.1930E+01 -1.3854E+01 H1 1964 1.008000 0.423800 1.3649E+01 1.2748E+01 -1.3350E+01 H2 1965 1.008000 0.423800 1.2740E+01 1.2187E+01 -1.4585E+01 O6 1966 15.999400 -0.847600 6.4582E+00 -1.0699E+01 -6.6501E+00 H1 1967 1.008000 0.423800 6.5303E+00 -1.1669E+01 -6.8820E+00 H2 1968 1.008000 0.423800 5.4965E+00 -1.0425E+01 -6.6573E+00 O6 1969 15.999400 -0.847600 -1.6705E+01 9.9128E+00 -7.7145E+00 H1 1970 1.008000 0.423800 -1.6117E+01 1.0182E+01 -6.9516E+00 H2 1971 1.008000 0.423800 -1.6257E+01 9.1907E+00 -8.2415E+00 O6 1972 15.999400 -0.847600 -8.3618E+00 2.8438E+00 -1.1939E+01 H1 1973 1.008000 0.423800 -8.5899E+00 2.9866E+00 -1.0976E+01 H2 1974 1.008000 0.423800 -8.9925E+00 3.3672E+00 -1.2512E+01 O6 1975 15.999400 -0.847600 -7.0893E+00 -3.9571E+00 -5.6817E+00 H1 1976 1.008000 0.423800 -7.0700E+00 -3.5631E+00 -4.7628E+00 H2 1977 1.008000 0.423800 -6.7379E+00 -4.8928E+00 -5.6504E+00 O6 1978 15.999400 -0.847600 1.5012E+01 1.0274E+01 -1.5419E+01 H1 1979 1.008000 0.423800 1.4648E+01 1.0247E+01 -1.6350E+01 H2 1980 1.008000 0.423800 1.4376E+01 1.0769E+01 -1.4827E+01 O6 1981 15.999400 -0.847600 -1.1271E+01 1.5787E+01 4.6036E+00 H1 1982 1.008000 0.423800 -1.0313E+01 1.5516E+01 4.7005E+00 H2 1983 1.008000 0.423800 -1.1762E+01 1.5093E+01 4.0784E+00 O6 1984 15.999400 -0.847600 -1.2122E+00 7.3769E+00 -1.4639E+01 H1 1985 1.008000 0.423800 -1.1895E+00 6.6111E+00 -1.3996E+01 H2 1986 1.008000 0.423800 -2.0039E+00 7.9548E+00 -1.4441E+01 O6 1987 15.999400 -0.847600 -1.1394E+01 4.1102E+00 1.6002E+00 H1 1988 1.008000 0.423800 -1.2008E+01 4.8037E+00 1.2236E+00 H2 1989 1.008000 0.423800 -1.1903E+01 3.2634E+00 1.7555E+00 O6 1990 15.999400 -0.847600 1.2083E+01 1.8274E+01 1.4862E+01 H1 1991 1.008000 0.423800 1.2037E+01 1.7566E+01 1.4158E+01 H2 1992 1.008000 0.423800 1.2411E+01 1.7872E+01 1.5717E+01 O6 1993 15.999400 -0.847600 -1.8985E+01 4.1796E+00 4.9508E+00 H1 1994 1.008000 0.423800 1.9124E+01 4.3334E+00 4.9777E+00 H2 1995 1.008000 0.423800 -1.8720E+01 3.5845E+00 5.7095E+00 O6 1996 15.999400 -0.847600 -7.6515E+00 -1.2590E+01 -1.7879E+01 H1 1997 1.008000 0.423800 -7.9852E+00 -1.2453E+01 -1.6946E+01 H2 1998 1.008000 0.423800 -6.8134E+00 -1.3135E+01 -1.7856E+01 O6 1999 15.999400 -0.847600 -5.7653E+00 8.7553E+00 -1.7591E+01 H1 2000 1.008000 0.423800 -6.2972E+00 8.0529E+00 -1.7118E+01 H2 2001 1.008000 0.423800 -6.3636E+00 9.2683E+00 -1.8207E+01 O6 2002 15.999400 -0.847600 -1.6762E+01 -1.6980E+01 -1.2247E-01 H1 2003 1.008000 0.423800 -1.6313E+01 -1.6464E+01 6.0723E-01 H2 2004 1.008000 0.423800 -1.7618E+01 -1.6528E+01 -3.7270E-01 O6 2005 15.999400 -0.847600 3.5188E+00 -1.8769E+00 8.6956E+00 H1 2006 1.008000 0.423800 4.0280E+00 -1.0376E+00 8.8858E+00 H2 2007 1.008000 0.423800 2.6786E+00 -1.8871E+00 9.2378E+00 O6 2008 15.999400 -0.847600 1.3134E+01 -1.0169E+01 -1.5175E+01 H1 2009 1.008000 0.423800 1.3441E+01 -9.9571E+00 -1.4247E+01 H2 2010 1.008000 0.423800 1.3811E+01 -9.8407E+00 -1.5833E+01 O6 2011 15.999400 -0.847600 1.4121E+01 -3.7345E+00 1.6921E+01 H1 2012 1.008000 0.423800 1.3125E+01 -3.7869E+00 1.6852E+01 H2 2013 1.008000 0.423800 1.4468E+01 -3.0930E+00 1.6237E+01 O6 2014 15.999400 -0.847600 -1.8350E+01 -1.0101E+01 1.8644E+01 H1 2015 1.008000 0.423800 -1.8767E+01 -9.5294E+00 1.7937E+01 H2 2016 1.008000 0.423800 -1.7737E+01 -1.0766E+01 1.8217E+01 O6 2017 15.999400 -0.847600 1.9011E+01 -1.1652E+01 1.4175E+01 H1 2018 1.008000 0.423800 1.9233E+01 -1.1454E+01 1.3220E+01 H2 2019 1.008000 0.423800 -1.9268E+01 -1.1982E+01 1.4646E+01 O6 2020 15.999400 -0.847600 -8.1207E+00 8.0443E+00 7.0138E+00 H1 2021 1.008000 0.423800 -7.1963E+00 8.1654E+00 7.3755E+00 H2 2022 1.008000 0.423800 -8.6268E+00 7.4099E+00 7.5982E+00 O6 2023 15.999400 -0.847600 1.1519E+01 7.4622E+00 -6.6527E+00 H1 2024 1.008000 0.423800 1.1214E+01 7.4239E+00 -7.6044E+00 H2 2025 1.008000 0.423800 1.2453E+01 7.8158E+00 -6.6162E+00 O6 2026 15.999400 -0.847600 5.3108E-01 -1.1479E+01 -3.8136E+00 H1 2027 1.008000 0.423800 2.7212E-01 -1.1712E+01 -2.8761E+00 H2 2028 1.008000 0.423800 1.3271E+00 -1.2021E+01 -4.0837E+00 O6 2029 15.999400 -0.847600 -1.3850E+01 2.3592E+00 2.3479E+00 H1 2030 1.008000 0.423800 -1.4537E+01 2.3566E+00 1.6213E+00 H2 2031 1.008000 0.423800 -1.3438E+01 1.4508E+00 2.4205E+00 O6 2032 15.999400 -0.847600 1.6014E+01 1.6506E+01 1.1826E+01 H1 2033 1.008000 0.423800 1.6826E+01 1.7048E+01 1.1607E+01 H2 2034 1.008000 0.423800 1.6105E+01 1.5594E+01 1.1425E+01 O6 2035 15.999400 -0.847600 -2.0508E-01 4.9740E+00 1.0818E+01 H1 2036 1.008000 0.423800 7.0585E-02 5.6278E+00 1.0114E+01 H2 2037 1.008000 0.423800 -1.0625E+00 4.5355E+00 1.0549E+01 O6 2038 15.999400 -0.847600 -1.1810E+01 -1.3896E+01 -5.1159E+00 H1 2039 1.008000 0.423800 -1.1194E+01 -1.4171E+01 -5.8534E+00 H2 2040 1.008000 0.423800 -1.2613E+01 -1.4492E+01 -5.1117E+00 O6 2041 15.999400 -0.847600 -4.2495E-01 1.8390E+01 1.1561E+01 H1 2042 1.008000 0.423800 -5.7425E-01 1.9170E+01 1.0953E+01 H2 2043 1.008000 0.423800 -1.1870E+00 1.8318E+01 1.2204E+01 O6 2044 15.999400 -0.847600 -6.3106E+00 7.9957E+00 -7.9063E+00 H1 2045 1.008000 0.423800 -7.1242E+00 8.0084E+00 -8.4876E+00 H2 2046 1.008000 0.423800 -5.9007E+00 7.0838E+00 -7.9267E+00 O6 2047 15.999400 -0.847600 1.5912E+01 4.6650E+00 -1.9028E+01 H1 2048 1.008000 0.423800 1.6399E+01 5.2737E+00 -1.8402E+01 H2 2049 1.008000 0.423800 1.5238E+01 5.1907E+00 -1.9547E+01 O6 2050 15.999400 -0.847600 -1.6376E+01 -3.4296E-01 -3.2629E+00 H1 2051 1.008000 0.423800 -1.5790E+01 7.7442E-02 -2.5699E+00 H2 2052 1.008000 0.423800 -1.6564E+01 -1.2917E+00 -3.0090E+00 O6 2053 15.999400 -0.847600 6.1403E+00 1.3878E+01 -1.0970E+01 H1 2054 1.008000 0.423800 7.0461E+00 1.4197E+01 -1.1249E+01 H2 2055 1.008000 0.423800 5.4596E+00 1.4578E+01 -1.1186E+01 O6 2056 15.999400 -0.847600 1.2428E+01 -1.5394E+01 -1.5483E+01 H1 2057 1.008000 0.423800 1.2408E+01 -1.6132E+01 -1.4810E+01 H2 2058 1.008000 0.423800 1.1555E+01 -1.5362E+01 -1.5969E+01 O6 2059 15.999400 -0.847600 -1.4946E+01 -7.8926E+00 1.2181E+01 H1 2060 1.008000 0.423800 -1.4344E+01 -8.6896E+00 1.2232E+01 H2 2061 1.008000 0.423800 -1.4964E+01 -7.4316E+00 1.3069E+01 O6 2062 15.999400 -0.847600 6.6829E+00 -1.0293E+01 8.6522E+00 H1 2063 1.008000 0.423800 7.0943E+00 -1.0614E+01 9.5052E+00 H2 2064 1.008000 0.423800 7.0316E+00 -1.0836E+01 7.8886E+00 O6 2065 15.999400 -0.847600 -2.9175E+00 1.0675E+01 -1.8988E+01 H1 2066 1.008000 0.423800 -2.3956E+00 1.0411E+01 -1.8177E+01 H2 2067 1.008000 0.423800 -2.2936E+00 1.0800E+01 1.9338E+01 O6 2068 15.999400 -0.847600 3.7898E+00 1.5624E+00 1.7151E+01 H1 2069 1.008000 0.423800 3.5526E+00 1.1163E+00 1.6288E+01 H2 2070 1.008000 0.423800 3.2960E+00 2.4288E+00 1.7225E+01 O6 2071 15.999400 -0.847600 -8.0281E+00 -8.5526E+00 2.6369E+00 H1 2072 1.008000 0.423800 -7.0535E+00 -8.3312E+00 2.6730E+00 H2 2073 1.008000 0.423800 -8.1949E+00 -9.4047E+00 3.1330E+00 O6 2074 15.999400 -0.847600 -7.5030E+00 -9.0854E-01 -1.8056E+01 H1 2075 1.008000 0.423800 -6.9041E+00 -4.9709E-01 -1.8743E+01 H2 2076 1.008000 0.423800 -8.4462E+00 -6.1945E-01 -1.8220E+01 O6 2077 15.999400 -0.847600 3.3262E+00 6.3895E+00 8.3612E+00 H1 2078 1.008000 0.423800 2.4478E+00 6.6875E+00 8.7349E+00 H2 2079 1.008000 0.423800 4.0259E+00 6.4403E+00 9.0738E+00 O6 2080 15.999400 -0.847600 -8.2578E+00 8.2513E+00 -9.8229E+00 H1 2081 1.008000 0.423800 -8.2740E+00 7.4552E+00 -1.0428E+01 H2 2082 1.008000 0.423800 -8.7391E+00 9.0114E+00 -1.0259E+01 O6 2083 15.999400 -0.847600 -1.9464E+00 3.2636E+00 1.8616E+01 H1 2084 1.008000 0.423800 -1.9723E+00 2.4483E+00 1.9195E+01 H2 2085 1.008000 0.423800 -1.7298E+00 4.0631E+00 1.9177E+01 O6 2086 15.999400 -0.847600 -2.5975E+00 3.7000E+00 9.3299E+00 H1 2087 1.008000 0.423800 -2.7701E+00 3.6577E+00 8.3458E+00 H2 2088 1.008000 0.423800 -3.2407E+00 4.3375E+00 9.7539E+00 O6 2089 15.999400 -0.847600 -2.9697E+00 3.7311E+00 6.6797E+00 H1 2090 1.008000 0.423800 -2.4399E+00 3.9837E+00 5.8701E+00 H2 2091 1.008000 0.423800 -3.5667E+00 2.9596E+00 6.4600E+00 O6 2092 15.999400 -0.847600 -1.3914E+01 -5.3443E+00 -9.8759E+00 H1 2093 1.008000 0.423800 -1.4805E+01 -5.3089E+00 -9.4214E+00 H2 2094 1.008000 0.423800 -1.3633E+01 -4.4189E+00 -1.0130E+01 O6 2095 15.999400 -0.847600 1.5408E+01 1.2614E+00 6.8331E+00 H1 2096 1.008000 0.423800 1.6263E+01 1.4675E+00 7.3100E+00 H2 2097 1.008000 0.423800 1.4764E+01 2.0150E+00 6.9629E+00 O6 2098 15.999400 -0.847600 -1.8066E+01 7.3415E+00 1.6411E+01 H1 2099 1.008000 0.423800 -1.7246E+01 7.2121E+00 1.5854E+01 H2 2100 1.008000 0.423800 -1.8435E+01 6.4498E+00 1.6674E+01 O6 2101 15.999400 -0.847600 -1.2495E+01 -9.8856E+00 7.0720E-01 H1 2102 1.008000 0.423800 -1.3490E+01 -9.8130E+00 6.3159E-01 H2 2103 1.008000 0.423800 -1.2181E+01 -9.3505E+00 1.4912E+00 O6 2104 15.999400 -0.847600 -2.4383E+00 -5.3850E+00 -7.4473E+00 H1 2105 1.008000 0.423800 -1.9991E+00 -6.1068E+00 -7.9822E+00 H2 2106 1.008000 0.423800 -3.3635E+00 -5.2295E+00 -7.7936E+00 O6 2107 15.999400 -0.847600 1.1747E+01 3.6856E+00 -2.5721E+00 H1 2108 1.008000 0.423800 1.1237E+01 3.6020E+00 -3.4281E+00 H2 2109 1.008000 0.423800 1.1950E+01 2.7740E+00 -2.2148E+00 O6 2110 15.999400 -0.847600 -1.9540E+01 -9.2657E+00 -1.4808E+01 H1 2111 1.008000 0.423800 1.9279E+01 -9.9628E+00 -1.5468E+01 H2 2112 1.008000 0.423800 1.9431E+01 -9.6158E+00 -1.3880E+01 O6 2113 15.999400 -0.847600 1.5105E+01 1.1171E+01 -5.1448E+00 H1 2114 1.008000 0.423800 1.6094E+01 1.1047E+01 -5.0597E+00 H2 2115 1.008000 0.423800 1.4724E+01 1.1424E+01 -4.2558E+00 O6 2116 15.999400 -0.847600 -1.4425E+01 1.5619E+01 -5.4587E+00 H1 2117 1.008000 0.423800 -1.4750E+01 1.4798E+01 -4.9908E+00 H2 2118 1.008000 0.423800 -1.3598E+01 1.5956E+01 -5.0068E+00 O6 2119 15.999400 -0.847600 1.3671E+01 1.4823E+01 5.4660E+00 H1 2120 1.008000 0.423800 1.4033E+01 1.4106E+01 4.8697E+00 H2 2121 1.008000 0.423800 1.3844E+01 1.5717E+01 5.0547E+00 O6 2122 15.999400 -0.847600 -6.5600E-01 1.5928E+01 1.5361E+01 H1 2123 1.008000 0.423800 2.7292E-01 1.5638E+01 1.5591E+01 H2 2124 1.008000 0.423800 -1.3035E+00 1.5213E+01 1.5624E+01 O6 2125 15.999400 -0.847600 9.9953E+00 1.3723E+01 -2.4804E-01 H1 2126 1.008000 0.423800 9.9551E+00 1.4430E+01 4.5779E-01 H2 2127 1.008000 0.423800 9.0814E+00 1.3578E+01 -6.2737E-01 O6 2128 15.999400 -0.847600 1.6960E+01 1.2358E+00 1.4075E+01 H1 2129 1.008000 0.423800 1.7359E+01 4.4177E-01 1.4534E+01 H2 2130 1.008000 0.423800 1.6262E+01 1.6444E+00 1.4664E+01 O6 2131 15.999400 -0.847600 1.8116E+01 -7.0042E+00 -1.3149E+01 H1 2132 1.008000 0.423800 1.7632E+01 -7.4189E+00 -1.3920E+01 H2 2133 1.008000 0.423800 1.8582E+01 -7.7172E+00 -1.2625E+01 O6 2134 15.999400 -0.847600 1.8739E+01 1.1917E+01 -9.8397E-01 H1 2135 1.008000 0.423800 1.8477E+01 1.1720E+01 -1.9287E+00 H2 2136 1.008000 0.423800 1.9045E+01 1.2866E+01 -9.1437E-01 O6 2137 15.999400 -0.847600 -4.6616E+00 7.6970E+00 5.4416E+00 H1 2138 1.008000 0.423800 -3.7025E+00 7.6878E+00 5.1586E+00 H2 2139 1.008000 0.423800 -4.8254E+00 6.9525E+00 6.0887E+00 O6 2140 15.999400 -0.847600 -5.0373E-01 -1.3280E+01 7.9495E+00 H1 2141 1.008000 0.423800 -1.2557E+00 -1.3084E+01 8.5789E+00 H2 2142 1.008000 0.423800 -8.7099E-01 -1.3458E+01 7.0367E+00 O6 2143 15.999400 -0.847600 -1.7184E+01 1.5071E+01 1.3028E+01 H1 2144 1.008000 0.423800 -1.8028E+01 1.5589E+01 1.3162E+01 H2 2145 1.008000 0.423800 -1.6646E+01 1.5085E+01 1.3870E+01 O6 2146 15.999400 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-6.2024E+00 2.7135E+00 -1.2681E+01 H2 2163 1.008000 0.423800 -5.1507E+00 2.1661E+00 -1.1558E+01 O6 2164 15.999400 -0.847600 -5.2934E+00 5.3307E+00 -1.0848E+01 H1 2165 1.008000 0.423800 -5.1254E+00 4.4979E+00 -1.1375E+01 H2 2166 1.008000 0.423800 -6.2103E+00 5.2941E+00 -1.0450E+01 O6 2167 15.999400 -0.847600 1.4029E+01 -1.2212E+01 -7.3990E+00 H1 2168 1.008000 0.423800 1.4311E+01 -1.2894E+01 -8.0747E+00 H2 2169 1.008000 0.423800 1.3032E+01 -1.2207E+01 -7.3270E+00 O6 2170 15.999400 -0.847600 -3.5642E+00 1.5118E+01 1.3724E+01 H1 2171 1.008000 0.423800 -3.3631E+00 1.5962E+01 1.4220E+01 H2 2172 1.008000 0.423800 -2.7454E+00 1.4544E+01 1.3696E+01 O6 2173 15.999400 -0.847600 -1.0081E+00 1.0744E+01 1.5215E+01 H1 2174 1.008000 0.423800 -9.0234E-01 1.0248E+01 1.4353E+01 H2 2175 1.008000 0.423800 -9.6448E-01 1.1727E+01 1.5042E+01 O6 2176 15.999400 -0.847600 9.0694E+00 6.7303E+00 1.8598E+01 H1 2177 1.008000 0.423800 8.7289E+00 5.9969E+00 1.9187E+01 H2 2178 1.008000 0.423800 8.3088E+00 7.1235E+00 1.8082E+01 O6 2179 15.999400 -0.847600 1.0514E+01 3.1924E+00 -4.9862E+00 H1 2180 1.008000 0.423800 1.0331E+01 4.0338E+00 -5.4948E+00 H2 2181 1.008000 0.423800 1.0267E+01 2.4030E+00 -5.5482E+00 O6 2182 15.999400 -0.847600 1.3886E+01 1.0340E+01 1.2510E+01 H1 2183 1.008000 0.423800 1.3629E+01 9.4483E+00 1.2883E+01 H2 2184 1.008000 0.423800 1.4170E+01 1.0943E+01 1.3255E+01 O6 2185 15.999400 -0.847600 -4.8959E+00 -1.3231E+01 -1.8222E+01 H1 2186 1.008000 0.423800 -4.1949E+00 -1.2986E+01 -1.7553E+01 H2 2187 1.008000 0.423800 -5.0060E+00 -1.2484E+01 -1.8878E+01 O6 2188 15.999400 -0.847600 3.1426E+00 1.0329E+01 -2.6420E+00 H1 2189 1.008000 0.423800 3.7240E+00 9.5157E+00 -2.6464E+00 H2 2190 1.008000 0.423800 2.2974E+00 1.0138E+01 -3.1408E+00 O6 2191 15.999400 -0.847600 1.2219E+01 -3.4904E+00 -1.7384E+01 H1 2192 1.008000 0.423800 1.1773E+01 -2.8309E+00 -1.6779E+01 H2 2193 1.008000 0.423800 1.2568E+01 -4.2558E+00 -1.6844E+01 O6 2194 15.999400 -0.847600 -1.4827E+01 1.8784E+01 1.2226E+01 H1 2195 1.008000 0.423800 -1.4649E+01 1.9151E+01 1.3139E+01 H2 2196 1.008000 0.423800 -1.4294E+01 1.7949E+01 1.2093E+01 O6 2197 15.999400 -0.847600 8.0872E+00 8.5546E+00 -1.3119E+01 H1 2198 1.008000 0.423800 8.9780E+00 8.6857E+00 -1.3554E+01 H2 2199 1.008000 0.423800 7.3626E+00 8.8020E+00 -1.3762E+01 O6 2200 15.999400 -0.847600 -9.8452E+00 1.2255E+01 1.2255E+01 H1 2201 1.008000 0.423800 -1.0689E+01 1.1774E+01 1.2491E+01 H2 2202 1.008000 0.423800 -9.3442E+00 1.2479E+01 1.3091E+01 O6 2203 15.999400 -0.847600 1.5904E+01 2.1660E-01 9.4371E+00 H1 2204 1.008000 0.423800 1.5521E+01 9.5362E-02 8.5215E+00 H2 2205 1.008000 0.423800 1.5460E+01 -4.1648E-01 1.0071E+01 O6 2206 15.999400 -0.847600 1.8807E+00 -1.4546E+01 7.4761E+00 H1 2207 1.008000 0.423800 2.1463E+00 -1.4255E+01 6.5570E+00 H2 2208 1.008000 0.423800 1.0723E+00 -1.4034E+01 7.7670E+00 O6 2209 15.999400 -0.847600 6.3336E+00 2.6946E+00 1.4470E+01 H1 2210 1.008000 0.423800 5.6843E+00 1.9415E+00 1.4577E+01 H2 2211 1.008000 0.423800 6.5843E+00 2.7845E+00 1.3506E+01 O6 2212 15.999400 -0.847600 1.1090E+01 1.6143E+01 5.8594E+00 H1 2213 1.008000 0.423800 1.1865E+01 1.5531E+01 5.7032E+00 H2 2214 1.008000 0.423800 1.1376E+01 1.6897E+01 6.4506E+00 O6 2215 15.999400 -0.847600 -5.8227E+00 -1.0694E+01 1.9338E+01 H1 2216 1.008000 0.423800 -6.0028E+00 -1.0253E+01 -1.8880E+01 H2 2217 1.008000 0.423800 -6.6801E+00 -1.1039E+01 1.8957E+01 O6 2218 15.999400 -0.847600 -1.3373E+01 -1.2378E+01 -1.1963E+01 H1 2219 1.008000 0.423800 -1.2695E+01 -1.3058E+01 -1.1684E+01 H2 2220 1.008000 0.423800 -1.4003E+01 -1.2786E+01 -1.2624E+01 O6 2221 15.999400 -0.847600 -1.5978E+01 6.7581E+00 1.6725E+00 H1 2222 1.008000 0.423800 -1.5088E+01 7.1563E+00 1.8947E+00 H2 2223 1.008000 0.423800 -1.6203E+01 6.0495E+00 2.3414E+00 O6 2224 15.999400 -0.847600 8.8186E+00 -1.1251E+01 -9.7468E+00 H1 2225 1.008000 0.423800 8.8165E+00 -1.1566E+01 -8.7978E+00 H2 2226 1.008000 0.423800 9.4083E+00 -1.1845E+01 -1.0294E+01 O6 2227 15.999400 -0.847600 5.0587E+00 -5.9437E+00 1.5341E+01 H1 2228 1.008000 0.423800 4.2385E+00 -5.6895E+00 1.4829E+01 H2 2229 1.008000 0.423800 5.6042E+00 -5.1258E+00 1.5524E+01 O6 2230 15.999400 -0.847600 -1.1316E+01 8.9021E+00 4.9533E+00 H1 2231 1.008000 0.423800 -1.2083E+01 8.4115E+00 5.3664E+00 H2 2232 1.008000 0.423800 -1.0656E+01 8.2440E+00 4.5910E+00 O6 2233 15.999400 -0.847600 -1.2901E+01 1.3799E+01 8.2373E+00 H1 2234 1.008000 0.423800 -1.3010E+01 1.3792E+01 7.2433E+00 H2 2235 1.008000 0.423800 -1.3715E+01 1.4199E+01 8.6590E+00 O6 2236 15.999400 -0.847600 -7.7919E+00 -4.2271E+00 -8.3321E+00 H1 2237 1.008000 0.423800 -8.3963E+00 -3.4890E+00 -8.6322E+00 H2 2238 1.008000 0.423800 -7.5822E+00 -4.1122E+00 -7.3611E+00 O6 2239 15.999400 -0.847600 -3.5355E+00 -1.4113E+01 -4.0851E+00 H1 2240 1.008000 0.423800 -3.7940E+00 -1.4210E+01 -5.0463E+00 H2 2241 1.008000 0.423800 -3.4639E+00 -1.3143E+01 -3.8548E+00 O6 2242 15.999400 -0.847600 1.3608E+01 5.6470E+00 6.1994E+00 H1 2243 1.008000 0.423800 1.4145E+01 5.8833E+00 7.0094E+00 H2 2244 1.008000 0.423800 1.2723E+01 6.1108E+00 6.2392E+00 O6 2245 15.999400 -0.847600 -1.1686E+00 -7.5070E+00 -8.7003E+00 H1 2246 1.008000 0.423800 -1.5834E+00 -7.6362E+00 -9.6011E+00 H2 2247 1.008000 0.423800 -4.6158E-01 -8.1994E+00 -8.5566E+00 O6 2248 15.999400 -0.847600 1.9332E+01 1.9167E+01 -1.0337E+01 H1 2249 1.008000 0.423800 1.9165E+01 -1.9088E+01 -9.8260E+00 H2 2250 1.008000 0.423800 1.8710E+01 1.9121E+01 -1.1118E+01 O6 2251 15.999400 -0.847600 -1.4263E+01 -1.1238E+01 6.6151E+00 H1 2252 1.008000 0.423800 -1.3748E+01 -1.1965E+01 6.1615E+00 H2 2253 1.008000 0.423800 -1.4283E+01 -1.0428E+01 6.0293E+00 O6 2254 15.999400 -0.847600 -1.8452E+01 -2.1584E+00 -1.3886E+00 H1 2255 1.008000 0.423800 -1.8117E+01 -2.4941E+00 -2.2690E+00 H2 2256 1.008000 0.423800 -1.9442E+01 -2.0207E+00 -1.4390E+00 O6 2257 15.999400 -0.847600 -1.7358E+01 -1.7106E+01 -7.7202E+00 H1 2258 1.008000 0.423800 -1.7631E+01 -1.6936E+01 -6.7734E+00 H2 2259 1.008000 0.423800 -1.6861E+01 -1.7972E+01 -7.7735E+00 O6 2260 15.999400 -0.847600 -1.2529E+01 1.7495E+00 1.9009E+01 H1 2261 1.008000 0.423800 -1.2263E+01 2.3216E+00 -1.9312E+01 H2 2262 1.008000 0.423800 -1.2090E+01 8.5454E-01 1.9089E+01 O6 2263 15.999400 -0.847600 -1.8055E+01 1.7299E+01 -9.4993E+00 H1 2264 1.008000 0.423800 -1.7512E+01 1.7070E+01 -1.0307E+01 H2 2265 1.008000 0.423800 -1.8705E+01 1.8024E+01 -9.7284E+00 O6 2266 15.999400 -0.847600 -3.8261E+00 7.6315E+00 -5.0646E+00 H1 2267 1.008000 0.423800 -3.7199E+00 7.4615E+00 -4.0849E+00 H2 2268 1.008000 0.423800 -4.6225E+00 8.2168E+00 -5.2169E+00 O6 2269 15.999400 -0.847600 1.0154E+01 -1.4151E+01 -1.6870E+01 H1 2270 1.008000 0.423800 9.6219E+00 -1.4597E+01 -1.7589E+01 H2 2271 1.008000 0.423800 9.5330E+00 -1.3735E+01 -1.6205E+01 O6 2272 15.999400 -0.847600 -9.3484E+00 1.8443E+01 1.5693E+01 H1 2273 1.008000 0.423800 -8.6536E+00 1.8523E+01 1.4978E+01 H2 2274 1.008000 0.423800 -9.2623E+00 1.9209E+01 1.6329E+01 O6 2275 15.999400 -0.847600 1.9178E+01 8.3160E+00 1.7904E+01 H1 2276 1.008000 0.423800 -1.9230E+01 7.9691E+00 1.7268E+01 H2 2277 1.008000 0.423800 1.8837E+01 9.1971E+00 1.7576E+01 O6 2278 15.999400 -0.847600 -7.9552E+00 1.5091E+01 1.5948E+01 H1 2279 1.008000 0.423800 -8.5640E+00 1.5532E+01 1.6608E+01 H2 2280 1.008000 0.423800 -7.2330E+00 1.5730E+01 1.5683E+01 O6 2281 15.999400 -0.847600 5.9469E+00 -1.4151E+01 1.5161E+01 H1 2282 1.008000 0.423800 6.2640E+00 -1.3228E+01 1.4944E+01 H2 2283 1.008000 0.423800 6.7128E+00 -1.4694E+01 1.5505E+01 O6 2284 15.999400 -0.847600 -1.5199E-01 1.1995E+01 -1.3317E+01 H1 2285 1.008000 0.423800 8.8116E-02 1.2300E+01 -1.2395E+01 H2 2286 1.008000 0.423800 -1.2290E-01 1.0996E+01 -1.3356E+01 O6 2287 15.999400 -0.847600 9.4366E+00 1.7379E+01 -9.2574E+00 H1 2288 1.008000 0.423800 9.8358E+00 1.7667E+01 -1.0128E+01 H2 2289 1.008000 0.423800 1.0057E+01 1.7619E+01 -8.5104E+00 O6 2290 15.999400 -0.847600 -1.4753E+01 -1.1420E+01 -6.1251E+00 H1 2291 1.008000 0.423800 -1.4154E+01 -1.1541E+01 -5.3335E+00 H2 2292 1.008000 0.423800 -1.5706E+01 -1.1409E+01 -5.8231E+00 O6 2293 15.999400 -0.847600 2.8058E+00 -1.3458E+01 5.0488E+00 H1 2294 1.008000 0.423800 3.1981E+00 -1.3744E+01 4.1746E+00 H2 2295 1.008000 0.423800 2.3439E+00 -1.2579E+01 4.9350E+00 O6 2296 15.999400 -0.847600 6.6278E-01 -9.3530E+00 -7.8583E+00 H1 2297 1.008000 0.423800 1.4322E+00 -9.7681E+00 -8.3438E+00 H2 2298 1.008000 0.423800 1.0041E+00 -8.8340E+00 -7.0746E+00 O6 2299 15.999400 -0.847600 1.6445E+01 -6.2910E+00 -1.1167E+01 H1 2300 1.008000 0.423800 1.6396E+01 -6.9579E+00 -1.0423E+01 H2 2301 1.008000 0.423800 1.7128E+01 -6.5867E+00 -1.1835E+01 O6 2302 15.999400 -0.847600 -7.6434E+00 3.3875E-01 1.0325E+01 H1 2303 1.008000 0.423800 -7.0816E+00 -2.5952E-02 1.1067E+01 H2 2304 1.008000 0.423800 -7.5236E+00 -2.2571E-01 9.5082E+00 O6 2305 15.999400 -0.847600 3.5294E+00 -3.6118E+00 -1.0931E+01 H1 2306 1.008000 0.423800 3.0613E+00 -2.7282E+00 -1.0941E+01 H2 2307 1.008000 0.423800 4.3119E+00 -3.5668E+00 -1.0309E+01 O6 2308 15.999400 -0.847600 -4.5934E+00 1.0952E+01 -1.5572E+01 H1 2309 1.008000 0.423800 -4.7048E+00 1.1895E+01 -1.5886E+01 H2 2310 1.008000 0.423800 -4.8541E+00 1.0324E+01 -1.6305E+01 O6 2311 15.999400 -0.847600 8.2581E+00 -1.4443E+01 -1.0805E+01 H1 2312 1.008000 0.423800 9.0181E+00 -1.3821E+01 -1.0993E+01 H2 2313 1.008000 0.423800 8.0184E+00 -1.4394E+01 -9.8357E+00 O6 2314 15.999400 -0.847600 -8.9436E+00 4.9173E+00 1.6525E+01 H1 2315 1.008000 0.423800 -8.5752E+00 5.4998E+00 1.7249E+01 H2 2316 1.008000 0.423800 -8.2360E+00 4.2818E+00 1.6216E+01 O6 2317 15.999400 -0.847600 -8.9680E+00 -4.3745E+00 1.4077E+01 H1 2318 1.008000 0.423800 -9.4057E+00 -5.2736E+00 1.4071E+01 H2 2319 1.008000 0.423800 -9.1672E+00 -3.9124E+00 1.4941E+01 O6 2320 15.999400 -0.847600 -9.1921E+00 -1.2594E+01 1.8698E+01 H1 2321 1.008000 0.423800 -8.7252E+00 -1.2718E+01 -1.9524E+01 H2 2322 1.008000 0.423800 -8.5253E+00 -1.2645E+01 1.7955E+01 O6 2323 15.999400 -0.847600 7.0033E+00 -1.2880E+01 -1.3644E+01 H1 2324 1.008000 0.423800 7.2562E+00 -1.2756E+01 -1.4603E+01 H2 2325 1.008000 0.423800 7.6850E+00 -1.3454E+01 -1.3191E+01 O6 2326 15.999400 -0.847600 8.5675E+00 -8.1141E+00 -2.5846E+00 H1 2327 1.008000 0.423800 8.3019E+00 -8.6501E+00 -3.3860E+00 H2 2328 1.008000 0.423800 9.5474E+00 -8.2254E+00 -2.4191E+00 O6 2329 15.999400 -0.847600 5.4587E+00 1.5532E+01 1.3153E+01 H1 2330 1.008000 0.423800 5.0361E+00 1.4636E+01 1.3018E+01 H2 2331 1.008000 0.423800 5.0933E+00 1.6177E+01 1.2481E+01 O6 2332 15.999400 -0.847600 -1.6959E+01 -1.6957E+01 6.1517E+00 H1 2333 1.008000 0.423800 -1.6564E+01 -1.7392E+01 6.9607E+00 H2 2334 1.008000 0.423800 -1.7861E+01 -1.6590E+01 6.3783E+00 O6 2335 15.999400 -0.847600 -1.1509E+01 -1.9131E+00 6.1327E+00 H1 2336 1.008000 0.423800 -1.2348E+01 -1.9685E+00 6.6742E+00 H2 2337 1.008000 0.423800 -1.1511E+01 -2.6345E+00 5.4402E+00 O6 2338 15.999400 -0.847600 1.0147E+01 1.6572E+01 -1.8348E+01 H1 2339 1.008000 0.423800 1.0797E+01 1.7190E+01 -1.8790E+01 H2 2340 1.008000 0.423800 1.0093E+01 1.5718E+01 -1.8866E+01 O6 2341 15.999400 -0.847600 -1.1798E+01 -4.8853E+00 5.2536E-01 H1 2342 1.008000 0.423800 -1.2499E+01 -4.1929E+00 3.5451E-01 H2 2343 1.008000 0.423800 -1.0895E+01 -4.5018E+00 3.2839E-01 O6 2344 15.999400 -0.847600 -1.3294E+01 1.2072E+01 -1.8948E+01 H1 2345 1.008000 0.423800 -1.3956E+01 1.1943E+01 1.9411E+01 H2 2346 1.008000 0.423800 -1.3131E+01 1.1197E+01 -1.8491E+01 O6 2347 15.999400 -0.847600 1.1048E+01 -1.5782E+01 -6.9176E+00 H1 2348 1.008000 0.423800 1.1970E+01 -1.5811E+01 -7.3031E+00 H2 2349 1.008000 0.423800 1.0755E+01 -1.4830E+01 -6.8242E+00 O6 2350 15.999400 -0.847600 -4.2615E+00 -1.0356E+00 -4.9824E-01 H1 2351 1.008000 0.423800 -5.0155E+00 -4.2779E-01 -7.4731E-01 H2 2352 1.008000 0.423800 -3.4737E+00 -4.8971E-01 -2.1291E-01 O6 2353 15.999400 -0.847600 -1.6191E+01 1.6707E+00 -1.2997E+01 H1 2354 1.008000 0.423800 -1.6851E+01 2.2499E+00 -1.3475E+01 H2 2355 1.008000 0.423800 -1.6538E+01 7.3365E-01 -1.2956E+01 O6 2356 15.999400 -0.847600 -3.5950E+00 -3.2884E+00 -1.5737E+01 H1 2357 1.008000 0.423800 -4.5190E+00 -3.0024E+00 -1.5991E+01 H2 2358 1.008000 0.423800 -3.0774E+00 -3.5143E+00 -1.6562E+01 O6 2359 15.999400 -0.847600 1.3838E+01 1.7930E+01 1.2153E+01 H1 2360 1.008000 0.423800 1.3072E+01 1.7631E+01 1.2721E+01 H2 2361 1.008000 0.423800 1.4567E+01 1.7246E+01 1.2189E+01 O6 2362 15.999400 -0.847600 -6.2636E+00 8.8803E+00 -5.1312E+00 H1 2363 1.008000 0.423800 -6.5760E+00 8.4679E+00 -5.9870E+00 H2 2364 1.008000 0.423800 -6.6171E+00 8.3530E+00 -4.3586E+00 O6 2365 15.999400 -0.847600 -1.8117E+01 9.2630E+00 -1.9361E+01 H1 2366 1.008000 0.423800 -1.8733E+01 9.0845E+00 1.8968E+01 H2 2367 1.008000 0.423800 -1.8218E+01 8.5399E+00 -1.8678E+01 O6 2368 15.999400 -0.847600 -3.4464E+00 -1.8275E+01 -2.3976E+00 H1 2369 1.008000 0.423800 -3.0613E+00 -1.9191E+01 -2.2842E+00 H2 2370 1.008000 0.423800 -4.3120E+00 -1.8337E+01 -2.8945E+00 O6 2371 15.999400 -0.847600 -5.9669E+00 6.3317E+00 1.5558E+01 H1 2372 1.008000 0.423800 -5.4201E+00 5.5593E+00 1.5235E+01 H2 2373 1.008000 0.423800 -6.0211E+00 7.0253E+00 1.4840E+01 O6 2374 15.999400 -0.847600 2.9406E-01 -4.7677E-01 4.6772E-02 H1 2375 1.008000 0.423800 -7.2653E-02 -1.3082E+00 -3.7064E-01 H2 2376 1.008000 0.423800 1.2793E+00 -4.2807E-01 -1.1739E-01 O6 2377 15.999400 -0.847600 -1.3783E+01 1.6345E+01 1.2114E+01 H1 2378 1.008000 0.423800 -1.3832E+01 1.5364E+01 1.2302E+01 H2 2379 1.008000 0.423800 -1.2857E+01 1.6583E+01 1.1822E+01 O6 2380 15.999400 -0.847600 -8.1469E+00 -1.1793E+01 -1.5456E+01 H1 2381 1.008000 0.423800 -8.7742E+00 -1.1237E+01 -1.6001E+01 H2 2382 1.008000 0.423800 -8.6257E+00 -1.2144E+01 -1.4651E+01 O6 2383 15.999400 -0.847600 1.5018E+01 1.2434E+01 4.4476E+00 H1 2384 1.008000 0.423800 1.4429E+01 1.2352E+01 3.6431E+00 H2 2385 1.008000 0.423800 1.4977E+01 1.1587E+01 4.9776E+00 O6 2386 15.999400 -0.847600 5.6916E+00 1.1053E+01 3.1963E+00 H1 2387 1.008000 0.423800 6.0012E+00 1.1651E+01 3.9354E+00 H2 2388 1.008000 0.423800 4.9470E+00 1.0473E+01 3.5267E+00 O6 2389 15.999400 -0.847600 -1.7803E+01 -1.1588E+01 -1.3223E+01 H1 2390 1.008000 0.423800 -1.7122E+01 -1.2296E+01 -1.3414E+01 H2 2391 1.008000 0.423800 -1.8685E+01 -1.1863E+01 -1.3605E+01 O6 2392 15.999400 -0.847600 1.3143E+01 -2.5688E+00 -4.0443E+00 H1 2393 1.008000 0.423800 1.2820E+01 -3.3356E+00 -3.4896E+00 H2 2394 1.008000 0.423800 1.3043E+01 -1.7184E+00 -3.5277E+00 O6 2395 15.999400 -0.847600 6.5196E+00 -2.7031E+00 -3.8350E+00 H1 2396 1.008000 0.423800 6.8421E+00 -3.5879E+00 -3.4986E+00 H2 2397 1.008000 0.423800 6.3653E+00 -2.0885E+00 -3.0613E+00 O6 2398 15.999400 -0.847600 -6.5856E+00 4.5235E+00 -2.7092E+00 H1 2399 1.008000 0.423800 -6.9324E+00 5.2391E+00 -2.1028E+00 H2 2400 1.008000 0.423800 -5.5921E+00 4.4595E+00 -2.6151E+00 O6 2401 15.999400 -0.847600 -1.3678E+01 8.7491E+00 -2.4310E+00 H1 2402 1.008000 0.423800 -1.4109E+01 9.2672E+00 -3.1698E+00 H2 2403 1.008000 0.423800 -1.2731E+01 9.0515E+00 -2.3200E+00 O6 2404 15.999400 -0.847600 1.5270E+01 -1.0298E+00 -2.1804E+00 H1 2405 1.008000 0.423800 1.4823E+01 -1.4870E+00 -1.4115E+00 H2 2406 1.008000 0.423800 1.4576E+01 -6.3301E-01 -2.7812E+00 O6 2407 15.999400 -0.847600 -1.2164E+01 1.4435E+01 -1.1209E+01 H1 2408 1.008000 0.423800 -1.2553E+01 1.4591E+01 -1.0301E+01 H2 2409 1.008000 0.423800 -1.1749E+01 1.3526E+01 -1.1242E+01 O6 2410 15.999400 -0.847600 -1.5665E+01 5.6519E+00 -1.4636E+01 H1 2411 1.008000 0.423800 -1.5333E+01 5.2729E+00 -1.3772E+01 H2 2412 1.008000 0.423800 -1.5454E+01 5.0187E+00 -1.5381E+01 O6 2413 15.999400 -0.847600 -1.3803E+01 1.3400E+01 5.6499E+00 H1 2414 1.008000 0.423800 -1.3316E+01 1.3451E+01 4.7778E+00 H2 2415 1.008000 0.423800 -1.4755E+01 1.3143E+01 5.4858E+00 O6 2416 15.999400 -0.847600 -6.6566E+00 -2.5735E+00 4.1250E+00 H1 2417 1.008000 0.423800 -7.2428E+00 -2.6150E+00 4.9340E+00 H2 2418 1.008000 0.423800 -5.9709E+00 -1.8558E+00 4.2467E+00 O6 2419 15.999400 -0.847600 1.1288E+01 -9.5962E+00 1.0018E+01 H1 2420 1.008000 0.423800 1.1872E+01 -9.1096E+00 1.0668E+01 H2 2421 1.008000 0.423800 1.1804E+01 -9.7857E+00 9.1827E+00 O6 2422 15.999400 -0.847600 -1.0433E+01 -9.6357E+00 9.6292E+00 H1 2423 1.008000 0.423800 -9.6885E+00 -9.5460E+00 1.0291E+01 H2 2424 1.008000 0.423800 -1.0057E+01 -9.8847E+00 8.7365E+00 O6 2425 15.999400 -0.847600 -1.4069E+01 5.0932E+00 -3.7741E+00 H1 2426 1.008000 0.423800 -1.3437E+01 5.6695E+00 -4.2932E+00 H2 2427 1.008000 0.423800 -1.3563E+01 4.3389E+00 -3.3549E+00 O6 2428 15.999400 -0.847600 1.6920E+01 -9.5085E+00 1.2781E+00 H1 2429 1.008000 0.423800 1.7814E+01 -9.0946E+00 1.1107E+00 H2 2430 1.008000 0.423800 1.6348E+01 -8.8701E+00 1.7941E+00 O6 2431 15.999400 -0.847600 7.7501E+00 9.6351E+00 1.9243E+00 H1 2432 1.008000 0.423800 8.4419E+00 1.0342E+01 1.7779E+00 H2 2433 1.008000 0.423800 6.9003E+00 1.0060E+01 2.2364E+00 O6 2434 15.999400 -0.847600 5.2931E+00 -4.4237E+00 1.7638E+00 H1 2435 1.008000 0.423800 4.4923E+00 -3.9759E+00 1.3660E+00 H2 2436 1.008000 0.423800 5.5373E+00 -3.9698E+00 2.6207E+00 O6 2437 15.999400 -0.847600 1.7598E+01 -9.8567E+00 1.6114E+01 H1 2438 1.008000 0.423800 1.8353E+01 -9.2641E+00 1.6394E+01 H2 2439 1.008000 0.423800 1.7936E+01 -1.0547E+01 1.5474E+01 O6 2440 15.999400 -0.847600 1.7587E+01 -1.5026E+00 1.5134E+01 H1 2441 1.008000 0.423800 1.6606E+01 -1.4261E+00 1.5310E+01 H2 2442 1.008000 0.423800 1.7964E+01 -2.2576E+00 1.5671E+01 O6 2443 15.999400 -0.847600 1.5273E+00 -1.8890E+01 -1.9494E+01 H1 2444 1.008000 0.423800 5.2799E-01 -1.8856E+01 -1.9478E+01 H2 2445 1.008000 0.423800 1.8255E+00 1.9287E+01 1.9351E+01 O6 2446 15.999400 -0.847600 2.3117E-01 2.3451E+00 6.4087E+00 H1 2447 1.008000 0.423800 3.4959E-01 3.2366E+00 5.9714E+00 H2 2448 1.008000 0.423800 1.1055E+00 1.8598E+00 6.4184E+00 O6 2449 15.999400 -0.847600 1.9493E+01 -9.7543E+00 -1.6321E+00 H1 2450 1.008000 0.423800 1.9073E+01 -1.0658E+01 -1.5520E+00 H2 2451 1.008000 0.423800 1.9303E+01 -9.3774E+00 -2.5385E+00 O6 2452 15.999400 -0.847600 -1.2980E+01 6.1850E+00 8.8517E-01 H1 2453 1.008000 0.423800 -1.3689E+01 6.0606E+00 1.9125E-01 H2 2454 1.008000 0.423800 -1.3213E+01 6.9665E+00 1.4638E+00 O6 2455 15.999400 -0.847600 -5.7680E+00 -3.0107E+00 -9.5802E+00 H1 2456 1.008000 0.423800 -6.4523E+00 -3.5723E+00 -9.1151E+00 H2 2457 1.008000 0.423800 -5.0047E+00 -2.8329E+00 -8.9590E+00 O6 2458 15.999400 -0.847600 -6.3258E+00 -1.2418E+01 3.6726E+00 H1 2459 1.008000 0.423800 -6.4952E+00 -1.3197E+01 4.2764E+00 H2 2460 1.008000 0.423800 -7.1286E+00 -1.1822E+01 3.6647E+00 O6 2461 15.999400 -0.847600 -1.8027E+01 1.0709E+01 -4.1365E+00 H1 2462 1.008000 0.423800 -1.7975E+01 1.1146E+01 -3.2383E+00 H2 2463 1.008000 0.423800 -1.8357E+01 1.1371E+01 -4.8099E+00 O6 2464 15.999400 -0.847600 -1.5722E+01 6.2426E+00 -1.1466E+01 H1 2465 1.008000 0.423800 -1.6469E+01 6.8762E+00 -1.1666E+01 H2 2466 1.008000 0.423800 -1.4847E+01 6.7182E+00 -1.1561E+01 O6 2467 15.999400 -0.847600 -1.8574E+01 1.7333E+01 -1.4940E+01 H1 2468 1.008000 0.423800 -1.8325E+01 1.6543E+01 -1.5500E+01 H2 2469 1.008000 0.423800 -1.7857E+01 1.8027E+01 -1.5005E+01 O6 2470 15.999400 -0.847600 1.0671E+01 2.6131E-01 -5.7367E+00 H1 2471 1.008000 0.423800 1.0485E+01 1.7892E-01 -4.7574E+00 H2 2472 1.008000 0.423800 1.1532E+01 7.5044E-01 -5.8728E+00 O6 2473 15.999400 -0.847600 -1.5704E+00 9.9656E+00 1.8965E+00 H1 2474 1.008000 0.423800 -9.9509E-01 9.7572E+00 1.1055E+00 H2 2475 1.008000 0.423800 -2.1935E+00 1.0713E+01 1.6676E+00 O6 2476 15.999400 -0.847600 -4.6704E+00 -4.2705E-01 -8.1939E+00 H1 2477 1.008000 0.423800 -4.0493E+00 2.6490E-01 -7.8258E+00 H2 2478 1.008000 0.423800 -4.2048E+00 -1.3116E+00 -8.2221E+00 O6 2479 15.999400 -0.847600 5.5496E+00 -1.6543E+01 1.1463E+01 H1 2480 1.008000 0.423800 5.0956E+00 -1.5652E+01 1.1460E+01 H2 2481 1.008000 0.423800 6.5236E+00 -1.6421E+01 1.1272E+01 O6 2482 15.999400 -0.847600 -1.2316E+01 8.6546E+00 -1.4099E+01 H1 2483 1.008000 0.423800 -1.2026E+01 7.8432E+00 -1.4606E+01 H2 2484 1.008000 0.423800 -1.3082E+01 9.0891E+00 -1.4573E+01 O6 2485 15.999400 -0.847600 1.3401E+01 7.3239E+00 -1.7359E+01 H1 2486 1.008000 0.423800 1.4153E+01 6.6680E+00 -1.7429E+01 H2 2487 1.008000 0.423800 1.2978E+01 7.2495E+00 -1.6456E+01 O6 2488 15.999400 -0.847600 -7.4287E+00 -6.8046E+00 4.4935E-01 H1 2489 1.008000 0.423800 -7.5403E+00 -5.9281E+00 9.1763E-01 H2 2490 1.008000 0.423800 -7.6171E+00 -7.5502E+00 1.0885E+00 O6 2491 15.999400 -0.847600 -7.2271E+00 7.5370E+00 -3.2022E+00 H1 2492 1.008000 0.423800 -6.7362E+00 7.2532E+00 -2.3785E+00 H2 2493 1.008000 0.423800 -8.1504E+00 7.8311E+00 -2.9551E+00 O6 2494 15.999400 -0.847600 4.6580E+00 -1.6371E+01 -6.8623E+00 H1 2495 1.008000 0.423800 4.8439E+00 -1.6763E+01 -7.7631E+00 H2 2496 1.008000 0.423800 3.6699E+00 -1.6330E+01 -6.7139E+00 O6 2497 15.999400 -0.847600 -1.7489E+01 -1.3027E+01 1.1770E+01 H1 2498 1.008000 0.423800 -1.7971E+01 -1.2169E+01 1.1593E+01 H2 2499 1.008000 0.423800 -1.6996E+01 -1.3308E+01 1.0946E+01 O6 2500 15.999400 -0.847600 8.8418E-01 7.0435E+00 9.1368E+00 H1 2501 1.008000 0.423800 2.9007E-01 7.6918E+00 9.6130E+00 H2 2502 1.008000 0.423800 6.6275E-01 7.0429E+00 8.1616E+00 O6 2503 15.999400 -0.847600 1.5477E+01 -3.4335E+00 -1.8434E+01 H1 2504 1.008000 0.423800 1.6195E+01 -3.0322E+00 -1.7866E+01 H2 2505 1.008000 0.423800 1.4632E+01 -3.5040E+00 -1.7903E+01 O6 2506 15.999400 -0.847600 -7.8137E+00 -8.2472E-01 1.5674E+01 H1 2507 1.008000 0.423800 -8.7584E+00 -5.5806E-01 1.5483E+01 H2 2508 1.008000 0.423800 -7.4254E+00 -2.0816E-01 1.6359E+01 O6 2509 15.999400 -0.847600 -1.2889E+01 -8.4695E+00 -1.7323E+01 H1 2510 1.008000 0.423800 -1.2529E+01 -7.5477E+00 -1.7179E+01 H2 2511 1.008000 0.423800 -1.2882E+01 -8.9691E+00 -1.6457E+01 O6 2512 15.999400 -0.847600 -2.9800E+00 -1.0155E+01 1.1140E+01 H1 2513 1.008000 0.423800 -3.3513E+00 -1.0859E+01 1.0535E+01 H2 2514 1.008000 0.423800 -2.3674E+00 -1.0579E+01 1.1808E+01 O6 2515 15.999400 -0.847600 -5.9475E+00 -1.1199E+01 -4.6623E+00 H1 2516 1.008000 0.423800 -6.3199E+00 -1.0671E+01 -3.8985E+00 H2 2517 1.008000 0.423800 -4.9798E+00 -1.1388E+01 -4.4960E+00 O6 2518 15.999400 -0.847600 1.1675E+01 -1.2176E+01 -1.3839E+01 H1 2519 1.008000 0.423800 1.2377E+01 -1.1771E+01 -1.4424E+01 H2 2520 1.008000 0.423800 1.0774E+01 -1.1854E+01 -1.4127E+01 O6 2521 15.999400 -0.847600 -9.7346E+00 -1.0458E+01 1.5139E+01 H1 2522 1.008000 0.423800 -8.9411E+00 -9.9960E+00 1.4743E+01 H2 2523 1.008000 0.423800 -9.8128E+00 -1.0216E+01 1.6106E+01 O6 2524 15.999400 -0.847600 -9.9566E+00 -2.0289E+00 -1.1602E+01 H1 2525 1.008000 0.423800 -1.0421E+01 -2.1335E+00 -1.2481E+01 H2 2526 1.008000 0.423800 -9.8540E+00 -2.9253E+00 -1.1171E+01 O6 2527 15.999400 -0.847600 -1.5463E+01 8.3971E-01 -1.0312E+01 H1 2528 1.008000 0.423800 -1.5563E+01 1.1990E+00 -1.1240E+01 H2 2529 1.008000 0.423800 -1.6253E+01 1.1118E+00 -9.7627E+00 O6 2530 15.999400 -0.847600 1.1801E+01 -1.1134E+01 7.0680E-01 H1 2531 1.008000 0.423800 1.1336E+01 -1.0517E+01 1.3407E+00 H2 2532 1.008000 0.423800 1.2671E+01 -1.1426E+01 1.1042E+00 O6 2533 15.999400 -0.847600 -5.6027E+00 -1.2336E+01 1.4293E+01 H1 2534 1.008000 0.423800 -4.7771E+00 -1.1791E+01 1.4441E+01 H2 2535 1.008000 0.423800 -5.6554E+00 -1.3056E+01 1.4985E+01 O6 2536 15.999400 -0.847600 1.9469E+00 -1.5201E+00 1.6303E+01 H1 2537 1.008000 0.423800 2.5421E+00 -2.3096E+00 1.6453E+01 H2 2538 1.008000 0.423800 1.8491E+00 -1.0097E+00 1.7157E+01 O6 2539 15.999400 -0.847600 1.4844E+01 1.0726E+01 8.3726E+00 H1 2540 1.008000 0.423800 1.4086E+01 1.1372E+01 8.4639E+00 H2 2541 1.008000 0.423800 1.5054E+01 1.0594E+01 7.4039E+00 O6 2542 15.999400 -0.847600 9.7597E+00 6.3917E+00 6.2671E+00 H1 2543 1.008000 0.423800 9.5652E+00 5.5913E+00 5.7000E+00 H2 2544 1.008000 0.423800 1.0008E+01 7.1628E+00 5.6810E+00 O6 2545 15.999400 -0.847600 2.2459E+00 -6.4694E+00 -1.3344E+01 H1 2546 1.008000 0.423800 1.5399E+00 -6.3672E+00 -1.2643E+01 H2 2547 1.008000 0.423800 3.1487E+00 -6.3856E+00 -1.2922E+01 O6 2548 15.999400 -0.847600 2.4846E-01 1.5373E+01 -1.1584E+01 H1 2549 1.008000 0.423800 -7.4499E-01 1.5297E+01 -1.1500E+01 H2 2550 1.008000 0.423800 6.5917E-01 1.4463E+01 -1.1526E+01 O6 2551 15.999400 -0.847600 1.1409E+01 -1.4023E+01 6.3738E+00 H1 2552 1.008000 0.423800 1.1555E+01 -1.4463E+01 7.2599E+00 H2 2553 1.008000 0.423800 1.0783E+01 -1.3250E+01 6.4844E+00 O6 2554 15.999400 -0.847600 2.2854E+00 -1.9353E+00 5.6546E+00 H1 2555 1.008000 0.423800 2.2864E+00 -2.0948E+00 4.6674E+00 H2 2556 1.008000 0.423800 1.3561E+00 -2.0414E+00 6.0084E+00 O6 2557 15.999400 -0.847600 -1.4684E+01 -1.3883E+01 1.8490E+01 H1 2558 1.008000 0.423800 -1.4262E+01 -1.4767E+01 1.8692E+01 H2 2559 1.008000 0.423800 -1.4351E+01 -1.3549E+01 1.7608E+01 O6 2560 15.999400 -0.847600 7.2796E+00 1.5714E+01 -8.5408E+00 H1 2561 1.008000 0.423800 7.1035E+00 1.5402E+01 -9.4744E+00 H2 2562 1.008000 0.423800 8.1373E+00 1.6227E+01 -8.5172E+00 O6 2563 15.999400 -0.847600 -1.3773E+01 1.7786E+01 8.1885E+00 H1 2564 1.008000 0.423800 -1.2881E+01 1.8224E+01 8.3019E+00 H2 2565 1.008000 0.423800 -1.4477E+01 1.8346E+01 8.6243E+00 O6 2566 15.999400 -0.847600 1.7091E+01 -5.3006E+00 7.4870E+00 H1 2567 1.008000 0.423800 1.7673E+01 -5.4503E+00 8.2861E+00 H2 2568 1.008000 0.423800 1.6176E+01 -5.0322E+00 7.7873E+00 O6 2569 15.999400 -0.847600 3.4602E+00 7.1679E+00 -1.2240E+01 H1 2570 1.008000 0.423800 3.4570E+00 7.8887E+00 -1.2933E+01 H2 2571 1.008000 0.423800 3.5976E+00 6.2814E+00 -1.2681E+01 O6 2572 15.999400 -0.847600 -1.0807E+01 -1.5305E+01 6.7260E+00 H1 2573 1.008000 0.423800 -1.1305E+01 -1.4749E+01 7.3916E+00 H2 2574 1.008000 0.423800 -1.1444E+01 -1.5920E+01 6.2624E+00 O6 2575 15.999400 -0.847600 7.9700E+00 2.6263E+00 -3.2529E-01 H1 2576 1.008000 0.423800 8.0011E+00 2.7628E+00 -1.3155E+00 H2 2577 1.008000 0.423800 8.8989E+00 2.6539E+00 4.4197E-02 O6 2578 15.999400 -0.847600 -9.3022E+00 1.6829E+01 1.7783E+01 H1 2579 1.008000 0.423800 -8.7709E+00 1.7117E+01 1.8580E+01 H2 2580 1.008000 0.423800 -9.3465E+00 1.7580E+01 1.7123E+01 O6 2581 15.999400 -0.847600 1.1406E+01 5.5312E+00 1.4106E+01 H1 2582 1.008000 0.423800 1.0787E+01 6.2645E+00 1.4387E+01 H2 2583 1.008000 0.423800 1.0900E+01 4.6702E+00 1.4052E+01 O6 2584 15.999400 -0.847600 -1.9182E+01 6.9637E-01 -1.6230E+01 H1 2585 1.008000 0.423800 -1.8891E+01 6.6266E-01 -1.7187E+01 H2 2586 1.008000 0.423800 -1.8687E+01 1.4243E+00 -1.5757E+01 O6 2587 15.999400 -0.847600 1.1216E+01 1.2335E-01 1.1414E+00 H1 2588 1.008000 0.423800 1.0900E+01 2.3849E-01 2.0831E+00 H2 2589 1.008000 0.423800 1.1002E+01 -8.0220E-01 8.2891E-01 O6 2590 15.999400 -0.847600 4.9295E+00 9.1480E+00 -1.0749E+01 H1 2591 1.008000 0.423800 4.5739E+00 9.1997E+00 -9.8161E+00 H2 2592 1.008000 0.423800 4.7532E+00 8.2374E+00 -1.1123E+01 O6 2593 15.999400 -0.847600 -5.8427E+00 9.5536E+00 1.7066E+01 H1 2594 1.008000 0.423800 -5.1690E+00 9.2637E+00 1.7746E+01 H2 2595 1.008000 0.423800 -5.5373E+00 1.0403E+01 1.6635E+01 O6 2596 15.999400 -0.847600 -4.6485E+00 5.9649E+00 7.3888E+00 H1 2597 1.008000 0.423800 -5.4410E+00 5.5711E+00 7.8544E+00 H2 2598 1.008000 0.423800 -4.0160E+00 5.2343E+00 7.1316E+00 O6 2599 15.999400 -0.847600 -1.2854E+01 1.2762E+01 -1.4927E+00 H1 2600 1.008000 0.423800 -1.2724E+01 1.3000E+01 -5.3029E-01 H2 2601 1.008000 0.423800 -1.3799E+01 1.2466E+01 -1.6377E+00 O6 2602 15.999400 -0.847600 -5.0507E+00 -1.6925E+01 -1.9390E+01 H1 2603 1.008000 0.423800 -4.1410E+00 -1.7109E+01 -1.9018E+01 H2 2604 1.008000 0.423800 -5.2554E+00 -1.7585E+01 1.8985E+01 O6 2605 15.999400 -0.847600 1.8097E+01 1.2513E+01 -1.7644E+01 H1 2606 1.008000 0.423800 1.7802E+01 1.3069E+01 -1.6866E+01 H2 2607 1.008000 0.423800 1.8779E+01 1.1849E+01 -1.7339E+01 O6 2608 15.999400 -0.847600 1.7323E+01 4.8540E+00 1.0600E+01 H1 2609 1.008000 0.423800 1.8215E+01 4.7344E+00 1.0162E+01 H2 2610 1.008000 0.423800 1.7259E+01 5.7774E+00 1.0978E+01 O6 2611 15.999400 -0.847600 1.1295E+00 1.0340E+01 -4.6871E+00 H1 2612 1.008000 0.423800 6.1399E-01 1.0402E+01 -5.5417E+00 H2 2613 1.008000 0.423800 7.1995E-01 1.0947E+01 -4.0058E+00 O6 2614 15.999400 -0.847600 1.0051E+01 -1.7393E+01 -1.6693E+01 H1 2615 1.008000 0.423800 9.8290E+00 -1.6921E+01 -1.7547E+01 H2 2616 1.008000 0.423800 9.2931E+00 -1.7291E+01 -1.6049E+01 O6 2617 15.999400 -0.847600 -1.8153E-01 1.2238E+01 -2.1933E+00 H1 2618 1.008000 0.423800 -5.1593E-01 1.2278E+01 -1.2517E+00 H2 2619 1.008000 0.423800 -9.3404E-01 1.2431E+01 -2.8228E+00 O6 2620 15.999400 -0.847600 1.1501E+01 1.5870E+01 -2.2970E+00 H1 2621 1.008000 0.423800 1.1021E+01 1.5430E+01 -3.0559E+00 H2 2622 1.008000 0.423800 1.0840E+01 1.6151E+01 -1.6018E+00 O6 2623 15.999400 -0.847600 -1.5527E-02 1.5932E+01 -2.4203E+00 H1 2624 1.008000 0.423800 1.9764E-01 1.6853E+01 -2.7453E+00 H2 2625 1.008000 0.423800 7.8980E-01 1.5348E+01 -2.5222E+00 O6 2626 15.999400 -0.847600 1.3227E+01 8.0798E+00 -1.1088E+01 H1 2627 1.008000 0.423800 1.3096E+01 7.3468E+00 -1.1756E+01 H2 2628 1.008000 0.423800 1.2536E+01 8.0035E+00 -1.0370E+01 O6 2629 15.999400 -0.847600 -8.9757E+00 -9.2952E+00 -1.6955E+01 H1 2630 1.008000 0.423800 -9.5582E+00 -8.8096E+00 -1.6303E+01 H2 2631 1.008000 0.423800 -9.0734E+00 -8.8829E+00 -1.7861E+01 O6 2632 15.999400 -0.847600 -4.1253E+00 8.7405E-01 9.0635E+00 H1 2633 1.008000 0.423800 -4.3350E+00 1.5491E-01 9.7260E+00 H2 2634 1.008000 0.423800 -3.6179E+00 1.6070E+00 9.5167E+00 O6 2635 15.999400 -0.847600 1.4411E+01 1.3822E+01 1.0413E+01 H1 2636 1.008000 0.423800 1.4171E+01 1.4477E+01 9.6966E+00 H2 2637 1.008000 0.423800 1.5227E+01 1.3313E+01 1.0138E+01 O6 2638 15.999400 -0.847600 -8.9413E+00 -1.9087E+01 -1.0900E+01 H1 2639 1.008000 0.423800 -9.7042E+00 1.9393E+01 -1.1093E+01 H2 2640 1.008000 0.423800 -8.7485E+00 -1.9094E+01 -9.9184E+00 O6 2641 15.999400 -0.847600 9.7262E+00 1.1213E+01 8.9977E-01 H1 2642 1.008000 0.423800 1.0263E+01 1.0496E+01 4.5486E-01 H2 2643 1.008000 0.423800 9.8740E+00 1.2081E+01 4.2737E-01 O6 2644 15.999400 -0.847600 -1.3862E+00 -1.0980E+01 -6.6430E+00 H1 2645 1.008000 0.423800 -6.9964E-01 -1.0516E+01 -7.2030E+00 H2 2646 1.008000 0.423800 -1.4331E+00 -1.0544E+01 -5.7443E+00 O6 2647 15.999400 -0.847600 -1.4428E+01 1.5567E+01 -1.2119E+01 H1 2648 1.008000 0.423800 -1.4161E+01 1.6524E+01 -1.2009E+01 H2 2649 1.008000 0.423800 -1.3660E+01 1.4976E+01 -1.1872E+01 O6 2650 15.999400 -0.847600 -3.3186E+00 1.5017E+01 1.0895E+01 H1 2651 1.008000 0.423800 -3.6512E+00 1.4869E+01 1.1826E+01 H2 2652 1.008000 0.423800 -3.2951E+00 1.4144E+01 1.0407E+01 O6 2653 15.999400 -0.847600 -8.3880E+00 -6.3443E+00 1.8184E+01 H1 2654 1.008000 0.423800 -7.5513E+00 -6.5616E+00 1.7681E+01 H2 2655 1.008000 0.423800 -8.4856E+00 -5.3516E+00 1.8255E+01 O6 2656 15.999400 -0.847600 -1.2740E+01 6.9060E+00 1.7812E+01 H1 2657 1.008000 0.423800 -1.2239E+01 6.0788E+00 1.7559E+01 H2 2658 1.008000 0.423800 -1.2952E+01 7.4328E+00 1.6989E+01 O6 2659 15.999400 -0.847600 -1.8521E+01 1.2863E+01 -1.5399E+01 H1 2660 1.008000 0.423800 -1.9292E+01 1.2759E+01 -1.4770E+01 H2 2661 1.008000 0.423800 -1.8600E+01 1.2191E+01 -1.6135E+01 O6 2662 15.999400 -0.847600 -1.8169E+01 1.2246E+01 1.5248E+01 H1 2663 1.008000 0.423800 -1.8524E+01 1.2680E+01 1.6076E+01 H2 2664 1.008000 0.423800 -1.8295E+01 1.1256E+01 1.5310E+01 O6 2665 15.999400 -0.847600 -2.2508E+00 1.1912E+01 -1.0323E+01 H1 2666 1.008000 0.423800 -2.7657E+00 1.1203E+01 -1.0806E+01 H2 2667 1.008000 0.423800 -2.4985E+00 1.1903E+01 -9.3545E+00 O6 2668 15.999400 -0.847600 -7.9882E+00 1.4074E+01 -1.5245E+01 H1 2669 1.008000 0.423800 -8.5764E+00 1.3809E+01 -1.4481E+01 H2 2670 1.008000 0.423800 -7.4039E+00 1.4837E+01 -1.4966E+01 O6 2671 15.999400 -0.847600 1.8867E+01 5.7526E+00 1.3498E+01 H1 2672 1.008000 0.423800 1.8408E+01 6.4021E+00 1.2892E+01 H2 2673 1.008000 0.423800 1.8561E+01 4.8246E+00 1.3285E+01 O6 2674 15.999400 -0.847600 -1.4786E+01 -1.8528E+01 -6.0819E+00 H1 2675 1.008000 0.423800 -1.5654E+01 -1.8894E+01 -5.7473E+00 H2 2676 1.008000 0.423800 -1.4263E+01 -1.9259E+01 -6.5213E+00 O6 2677 15.999400 -0.847600 1.4111E+01 -8.8044E+00 1.9544E+01 H1 2678 1.008000 0.423800 1.3255E+01 -9.2503E+00 1.9282E+01 H2 2679 1.008000 0.423800 1.4883E+01 -9.3708E+00 1.9256E+01 O6 2680 15.999400 -0.847600 -1.5725E+01 -7.1553E-02 7.0552E+00 H1 2681 1.008000 0.423800 -1.6075E+01 -6.6074E-02 7.9921E+00 H2 2682 1.008000 0.423800 -1.5733E+01 -1.0072E+00 6.7023E+00 O6 2683 15.999400 -0.847600 6.8870E+00 6.0514E+00 -1.5814E+01 H1 2684 1.008000 0.423800 7.1707E+00 6.9884E+00 -1.5610E+01 H2 2685 1.008000 0.423800 7.6484E+00 5.4272E+00 -1.5639E+01 O6 2686 15.999400 -0.847600 -7.3690E+00 1.5949E+01 -1.2616E+01 H1 2687 1.008000 0.423800 -8.3386E+00 1.5872E+01 -1.2383E+01 H2 2688 1.008000 0.423800 -7.2136E+00 1.6798E+01 -1.3121E+01 O6 2689 15.999400 -0.847600 1.8045E+01 7.1869E+00 1.3404E+00 H1 2690 1.008000 0.423800 1.8535E+01 7.8151E+00 7.3594E-01 H2 2691 1.008000 0.423800 1.7114E+01 7.0564E+00 1.0011E+00 O6 2692 15.999400 -0.847600 1.4247E+01 -1.1329E+01 3.3881E+00 H1 2693 1.008000 0.423800 1.5246E+01 -1.1360E+01 3.3526E+00 H2 2694 1.008000 0.423800 1.3958E+01 -1.0843E+01 4.2131E+00 O6 2695 15.999400 -0.847600 6.8484E+00 -1.6302E+01 -7.0498E-02 H1 2696 1.008000 0.423800 6.9618E+00 -1.6282E+01 9.2287E-01 H2 2697 1.008000 0.423800 7.7431E+00 -1.6221E+01 -5.0974E-01 O6 2698 15.999400 -0.847600 -1.9779E+00 2.9198E+00 -1.5559E+01 H1 2699 1.008000 0.423800 -2.5475E+00 2.1777E+00 -1.5912E+01 H2 2700 1.008000 0.423800 -2.1805E+00 3.0630E+00 -1.4590E+01 O6 2701 15.999400 -0.847600 7.0901E+00 1.1949E+01 -3.9693E+00 H1 2702 1.008000 0.423800 7.3446E+00 1.1653E+01 -4.8902E+00 H2 2703 1.008000 0.423800 6.1126E+00 1.1793E+01 -3.8275E+00 O6 2704 15.999400 -0.847600 1.0182E+01 -1.3061E+01 -6.4986E+00 H1 2705 1.008000 0.423800 1.0086E+01 -1.2680E+01 -5.5792E+00 H2 2706 1.008000 0.423800 1.0742E+01 -1.2449E+01 -7.0566E+00 O6 2707 15.999400 -0.847600 -9.0939E+00 4.5714E+00 -1.4751E+01 H1 2708 1.008000 0.423800 -8.3438E+00 4.4478E+00 -1.5401E+01 H2 2709 1.008000 0.423800 -8.9229E+00 5.3850E+00 -1.4196E+01 O6 2710 15.999400 -0.847600 3.6782E+00 1.6891E+01 -1.6409E+01 H1 2711 1.008000 0.423800 2.7679E+00 1.7263E+01 -1.6227E+01 H2 2712 1.008000 0.423800 4.2673E+00 1.7050E+01 -1.5616E+01 O6 2713 15.999400 -0.847600 -9.9981E+00 1.0886E+01 -6.6965E+00 H1 2714 1.008000 0.423800 -1.0010E+01 1.0070E+01 -7.2749E+00 H2 2715 1.008000 0.423800 -9.0592E+00 1.1079E+01 -6.4120E+00 O6 2716 15.999400 -0.847600 1.6824E+01 7.3813E+00 -3.8416E+00 H1 2717 1.008000 0.423800 1.7588E+01 7.8932E+00 -4.2333E+00 H2 2718 1.008000 0.423800 1.6349E+01 7.9521E+00 -3.1716E+00 O6 2719 15.999400 -0.847600 -3.8187E+00 2.1668E+00 -3.8130E+00 H1 2720 1.008000 0.423800 -3.0336E+00 1.5627E+00 -3.6765E+00 H2 2721 1.008000 0.423800 -4.0734E+00 2.5846E+00 -2.9408E+00 O6 2722 15.999400 -0.847600 -1.9308E+01 -9.4113E+00 -1.1867E+01 H1 2723 1.008000 0.423800 -1.8401E+01 -9.8079E+00 -1.1728E+01 H2 2724 1.008000 0.423800 1.9145E+01 -9.8165E+00 -1.1218E+01 O6 2725 15.999400 -0.847600 1.5703E+01 7.5980E+00 -1.5021E+01 H1 2726 1.008000 0.423800 1.6440E+01 7.5165E+00 -1.4350E+01 H2 2727 1.008000 0.423800 1.5288E+01 8.5051E+00 -1.4952E+01 O6 2728 15.999400 -0.847600 -1.1285E+01 -6.4339E-01 -3.7424E-01 H1 2729 1.008000 0.423800 -1.2044E+01 -1.0848E+00 1.0335E-01 H2 2730 1.008000 0.423800 -1.0638E+01 -2.7777E-01 2.9493E-01 O6 2731 15.999400 -0.847600 4.9839E+00 -1.3338E+01 -9.6510E+00 H1 2732 1.008000 0.423800 5.3697E+00 -1.2614E+01 -1.0223E+01 H2 2733 1.008000 0.423800 3.9855E+00 -1.3297E+01 -9.6892E+00 O6 2734 15.999400 -0.847600 4.7194E+00 -5.8110E+00 -7.8573E+00 H1 2735 1.008000 0.423800 5.3869E+00 -5.1653E+00 -7.4865E+00 H2 2736 1.008000 0.423800 4.6480E+00 -6.6022E+00 -7.2499E+00 O6 2737 15.999400 -0.847600 -1.3832E+01 -7.7237E+00 -1.1201E+01 H1 2738 1.008000 0.423800 -1.3768E+01 -6.9214E+00 -1.0608E+01 H2 2739 1.008000 0.423800 -1.3912E+01 -8.5476E+00 -1.0640E+01 O6 2740 15.999400 -0.847600 5.3897E+00 -1.7787E+01 3.8859E+00 H1 2741 1.008000 0.423800 6.0391E+00 -1.7028E+01 3.8406E+00 H2 2742 1.008000 0.423800 5.4324E+00 -1.8313E+01 3.0366E+00 O6 2743 15.999400 -0.847600 -1.3273E+01 1.4529E+01 1.6437E+01 H1 2744 1.008000 0.423800 -1.2835E+01 1.5363E+01 1.6771E+01 H2 2745 1.008000 0.423800 -1.3742E+01 1.4072E+01 1.7194E+01 O6 2746 15.999400 -0.847600 6.7535E-01 1.7902E+01 -1.1811E+01 H1 2747 1.008000 0.423800 6.5174E-01 1.6906E+01 -1.1725E+01 H2 2748 1.008000 0.423800 1.1467E+00 1.8294E+01 -1.1021E+01 O6 2749 15.999400 -0.847600 -6.1033E+00 1.6767E+01 6.3302E+00 H1 2750 1.008000 0.423800 -6.4176E+00 1.7716E+01 6.2989E+00 H2 2751 1.008000 0.423800 -5.1078E+00 1.6749E+01 6.4228E+00 O6 2752 15.999400 -0.847600 3.7789E+00 6.9565E+00 1.5391E+01 H1 2753 1.008000 0.423800 3.1902E+00 7.0038E+00 1.6198E+01 H2 2754 1.008000 0.423800 4.2853E+00 6.0943E+00 1.5398E+01 O6 2755 15.999400 -0.847600 6.4166E+00 -1.2227E+00 -6.1097E+00 H1 2756 1.008000 0.423800 7.2830E+00 -7.2344E-01 -6.1246E+00 H2 2757 1.008000 0.423800 6.4133E+00 -1.8614E+00 -5.3403E+00 O6 2758 15.999400 -0.847600 -6.2832E+00 -6.6560E+00 -5.0205E+00 H1 2759 1.008000 0.423800 -6.2566E+00 -7.1732E+00 -5.8760E+00 H2 2760 1.008000 0.423800 -7.1720E+00 -6.7847E+00 -4.5808E+00 O6 2761 15.999400 -0.847600 1.1912E+01 -4.9669E+00 4.0714E+00 H1 2762 1.008000 0.423800 1.0964E+01 -4.8224E+00 3.7908E+00 H2 2763 1.008000 0.423800 1.1946E+01 -5.6698E+00 4.7819E+00 O6 2764 15.999400 -0.847600 -1.9282E+01 -1.6051E+01 1.5523E+01 H1 2765 1.008000 0.423800 -1.9221E+01 -1.6644E+01 1.6325E+01 H2 2766 1.008000 0.423800 1.9484E+01 -1.5149E+01 1.5799E+01 O6 2767 15.999400 -0.847600 -1.1575E+00 5.4247E+00 -1.2859E+01 H1 2768 1.008000 0.423800 -1.9776E+00 4.8703E+00 -1.2717E+01 H2 2769 1.008000 0.423800 -3.5129E-01 4.8331E+00 -1.2859E+01 O6 2770 15.999400 -0.847600 1.5885E+00 5.1522E+00 5.1991E+00 H1 2771 1.008000 0.423800 1.3598E+00 4.7129E+00 4.3303E+00 H2 2772 1.008000 0.423800 2.5490E+00 5.4303E+00 5.1892E+00 O6 2773 15.999400 -0.847600 -4.7135E+00 1.1777E+01 1.6084E+01 H1 2774 1.008000 0.423800 -3.8431E+00 1.2207E+01 1.6324E+01 H2 2775 1.008000 0.423800 -5.2008E+00 1.2354E+01 1.5429E+01 O6 2776 15.999400 -0.847600 1.2769E+01 -4.6377E+00 -4.3335E-01 H1 2777 1.008000 0.423800 1.3237E+01 -5.5211E+00 -4.5918E-01 H2 2778 1.008000 0.423800 1.2222E+01 -4.5261E+00 -1.2628E+00 O6 2779 15.999400 -0.847600 6.0313E+00 -1.1007E+01 1.2110E+01 H1 2780 1.008000 0.423800 6.8459E+00 -1.0494E+01 1.1839E+01 H2 2781 1.008000 0.423800 6.0552E+00 -1.1173E+01 1.3096E+01 O6 2782 15.999400 -0.847600 1.7408E+01 -1.4141E+01 1.4705E+01 H1 2783 1.008000 0.423800 1.7910E+01 -1.3870E+01 1.3883E+01 H2 2784 1.008000 0.423800 1.7912E+01 -1.3844E+01 1.5516E+01 O6 2785 15.999400 -0.847600 2.6759E+00 1.2387E+01 1.2726E+01 H1 2786 1.008000 0.423800 3.6585E+00 1.2326E+01 1.2551E+01 H2 2787 1.008000 0.423800 2.4554E+00 1.3300E+01 1.3071E+01 O6 2788 15.999400 -0.847600 1.0405E+01 3.7092E+00 4.7100E-01 H1 2789 1.008000 0.423800 1.1005E+01 3.4208E+00 -2.7548E-01 H2 2790 1.008000 0.423800 1.0942E+01 3.8126E+00 1.3085E+00 O6 2791 15.999400 -0.847600 -1.2337E+01 1.8193E+01 2.5175E+00 H1 2792 1.008000 0.423800 -1.2932E+01 1.7433E+01 2.7803E+00 H2 2793 1.008000 0.423800 -1.2813E+01 1.9058E+01 2.6721E+00 O6 2794 15.999400 -0.847600 2.2897E+00 -1.2677E-01 1.8710E+01 H1 2795 1.008000 0.423800 2.9138E+00 5.4376E-01 1.8309E+01 H2 2796 1.008000 0.423800 2.8060E+00 -7.5816E-01 1.9288E+01 O6 2797 15.999400 -0.847600 -5.6112E+00 1.3334E+01 -9.5669E+00 H1 2798 1.008000 0.423800 -5.9536E+00 1.3576E+01 -1.0475E+01 H2 2799 1.008000 0.423800 -5.6229E+00 1.2339E+01 -9.4608E+00 O6 2800 15.999400 -0.847600 -5.4502E+00 -5.0383E+00 -1.8711E+01 H1 2801 1.008000 0.423800 -5.6063E+00 -4.2820E+00 -1.8076E+01 H2 2802 1.008000 0.423800 -4.8001E+00 -5.6828E+00 -1.8309E+01 O6 2803 15.999400 -0.847600 1.2975E+01 2.7951E+00 6.6079E+00 H1 2804 1.008000 0.423800 1.2744E+01 2.4960E+00 5.6819E+00 H2 2805 1.008000 0.423800 1.3103E+01 3.7868E+00 6.6155E+00 O6 2806 15.999400 -0.847600 6.5195E+00 -1.5082E+00 -1.0600E+01 H1 2807 1.008000 0.423800 5.7749E+00 -1.6336E+00 -9.9439E+00 H2 2808 1.008000 0.423800 6.5591E+00 -5.4908E-01 -1.0880E+01 O6 2809 15.999400 -0.847600 -1.1587E+01 7.4745E-01 -1.4258E+01 H1 2810 1.008000 0.423800 -1.1612E+01 5.1041E-01 -1.3287E+01 H2 2811 1.008000 0.423800 -1.1575E+01 -8.9511E-02 -1.4805E+01 O6 2812 15.999400 -0.847600 -1.4547E+01 3.9490E+00 4.8003E+00 H1 2813 1.008000 0.423800 -1.4938E+01 3.3262E+00 5.4781E+00 H2 2814 1.008000 0.423800 -1.4313E+01 3.4374E+00 3.9734E+00 O6 2815 15.999400 -0.847600 1.6850E+01 1.1878E+01 -1.1277E+01 H1 2816 1.008000 0.423800 1.6175E+01 1.1140E+01 -1.1288E+01 H2 2817 1.008000 0.423800 1.7043E+01 1.2139E+01 -1.0331E+01 O6 2818 15.999400 -0.847600 1.3548E+01 8.1825E+00 9.2811E+00 H1 2819 1.008000 0.423800 1.2801E+01 8.4142E+00 9.9038E+00 H2 2820 1.008000 0.423800 1.4175E+01 8.9580E+00 9.2103E+00 O6 2821 15.999400 -0.847600 1.3442E+01 1.1918E+01 6.9081E-01 H1 2822 1.008000 0.423800 1.3014E+01 1.2313E+01 -1.2226E-01 H2 2823 1.008000 0.423800 1.4405E+01 1.2185E+01 7.2363E-01 O6 2824 15.999400 -0.847600 -1.0440E-01 -1.6086E+00 -1.2077E+01 H1 2825 1.008000 0.423800 -1.3708E-01 -2.2319E+00 -1.1296E+01 H2 2826 1.008000 0.423800 8.4835E-01 -1.3969E+00 -1.2295E+01 O6 2827 15.999400 -0.847600 8.0906E+00 1.9298E+01 4.1728E+00 H1 2828 1.008000 0.423800 7.5277E+00 1.9248E+01 4.9979E+00 H2 2829 1.008000 0.423800 8.5246E+00 1.8412E+01 4.0115E+00 O6 2830 15.999400 -0.847600 -1.7164E+01 5.8519E+00 -8.9307E-01 H1 2831 1.008000 0.423800 -1.6256E+01 5.8093E+00 -1.3103E+00 H2 2832 1.008000 0.423800 -1.7099E+01 6.2951E+00 1.0121E-03 O6 2833 15.999400 -0.847600 -1.1012E+01 7.0183E+00 -7.1593E-01 H1 2834 1.008000 0.423800 -1.0992E+01 7.9844E+00 -4.5864E-01 H2 2835 1.008000 0.423800 -1.1811E+01 6.5802E+00 -3.0259E-01 O6 2836 15.999400 -0.847600 5.8783E+00 -7.6622E+00 8.8951E+00 H1 2837 1.008000 0.423800 6.2178E+00 -8.6003E+00 8.8256E+00 H2 2838 1.008000 0.423800 6.0760E+00 -7.1726E+00 8.0458E+00 O6 2839 15.999400 -0.847600 1.9196E+01 -1.2881E+01 -1.9002E+01 H1 2840 1.008000 0.423800 1.9092E+01 -1.3857E+01 -1.8807E+01 H2 2841 1.008000 0.423800 -1.9198E+01 -1.2755E+01 1.9396E+01 O6 2842 15.999400 -0.847600 1.7279E+01 7.3636E-01 -4.1252E+00 H1 2843 1.008000 0.423800 1.6796E+01 3.7376E-01 -3.3284E+00 H2 2844 1.008000 0.423800 1.7830E+01 1.5243E+00 -3.8505E+00 O6 2845 15.999400 -0.847600 -1.1077E+01 9.2350E+00 -8.4949E+00 H1 2846 1.008000 0.423800 -1.0559E+01 9.7640E+00 -9.1678E+00 H2 2847 1.008000 0.423800 -1.0922E+01 8.2590E+00 -8.6480E+00 O6 2848 15.999400 -0.847600 -1.2049E+01 1.6779E+01 1.7277E+01 H1 2849 1.008000 0.423800 -1.1099E+01 1.6627E+01 1.7552E+01 H2 2850 1.008000 0.423800 -1.2204E+01 1.7758E+01 1.7142E+01 O6 2851 15.999400 -0.847600 -1.2807E+01 -2.7429E+00 -1.0671E+01 H1 2852 1.008000 0.423800 -1.3063E+01 -1.9003E+00 -1.0197E+01 H2 2853 1.008000 0.423800 -1.2595E+01 -2.5364E+00 -1.1626E+01 O6 2854 15.999400 -0.847600 -4.8487E+00 1.7074E+01 -4.4234E+00 H1 2855 1.008000 0.423800 -5.6747E+00 1.7216E+01 -4.9690E+00 H2 2856 1.008000 0.423800 -4.4343E+00 1.6197E+01 -4.6675E+00 O6 2857 15.999400 -0.847600 2.2647E+00 -1.1645E+01 9.9255E+00 H1 2858 1.008000 0.423800 2.4446E+00 -1.2550E+01 1.0312E+01 H2 2859 1.008000 0.423800 2.9122E+00 -1.1464E+01 9.1853E+00 O6 2860 15.999400 -0.847600 -6.2305E+00 -2.0228E+00 -1.2121E+01 H1 2861 1.008000 0.423800 -5.9730E+00 -2.2781E+00 -1.1190E+01 H2 2862 1.008000 0.423800 -6.8401E+00 -1.2305E+00 -1.2094E+01 O6 2863 15.999400 -0.847600 1.1521E+01 -4.5032E+00 1.7047E+01 H1 2864 1.008000 0.423800 1.0972E+01 -5.3372E+00 1.6999E+01 H2 2865 1.008000 0.423800 1.1368E+01 -4.0539E+00 1.7927E+01 O6 2866 15.999400 -0.847600 4.5973E+00 -4.0802E+00 5.9019E+00 H1 2867 1.008000 0.423800 4.0012E+00 -3.2912E+00 5.7531E+00 H2 2868 1.008000 0.423800 4.4948E+00 -4.4025E+00 6.8429E+00 O6 2869 15.999400 -0.847600 1.6972E+01 1.4216E+01 4.7245E+00 H1 2870 1.008000 0.423800 1.7328E+01 1.4363E+01 3.8015E+00 H2 2871 1.008000 0.423800 1.6201E+01 1.3580E+01 4.6871E+00 O6 2872 15.999400 -0.847600 1.4622E+01 4.3204E+00 1.1330E+01 H1 2873 1.008000 0.423800 1.4578E+01 4.4449E+00 1.2321E+01 H2 2874 1.008000 0.423800 1.5573E+01 4.1826E+00 1.1053E+01 O6 2875 15.999400 -0.847600 1.7028E+01 1.4054E+01 -1.5655E+01 H1 2876 1.008000 0.423800 1.7361E+01 1.3763E+01 -1.4758E+01 H2 2877 1.008000 0.423800 1.7366E+01 1.4974E+01 -1.5853E+01 O6 2878 15.999400 -0.847600 -7.5649E+00 -7.5151E+00 -1.4152E+01 H1 2879 1.008000 0.423800 -8.2709E+00 -7.6549E+00 -1.4847E+01 H2 2880 1.008000 0.423800 -7.1776E+00 -6.5984E+00 -1.4251E+01 O6 2881 15.999400 -0.847600 -1.4904E+01 -1.6812E+01 8.3607E+00 H1 2882 1.008000 0.423800 -1.4806E+01 -1.6310E+01 9.2201E+00 H2 2883 1.008000 0.423800 -1.4808E+01 -1.7792E+01 8.5345E+00 O6 2884 15.999400 -0.847600 -3.3134E+00 7.8242E+00 -1.7592E+01 H1 2885 1.008000 0.423800 -3.2011E+00 6.8910E+00 -1.7251E+01 H2 2886 1.008000 0.423800 -4.2818E+00 8.0726E+00 -1.7571E+01 O6 2887 15.999400 -0.847600 -7.8862E+00 1.1365E+01 -1.0907E+01 H1 2888 1.008000 0.423800 -7.2093E+00 1.0845E+01 -1.0385E+01 H2 2889 1.008000 0.423800 -7.4869E+00 1.2234E+01 -1.1198E+01 O6 2890 15.999400 -0.847600 6.3322E+00 6.3639E+00 5.3288E-01 H1 2891 1.008000 0.423800 6.7047E+00 6.3032E+00 1.4590E+00 H2 2892 1.008000 0.423800 6.1421E+00 5.4443E+00 1.8923E-01 O6 2893 15.999400 -0.847600 -4.7197E+00 -9.9802E+00 -1.0169E+01 H1 2894 1.008000 0.423800 -4.6762E+00 -9.1234E+00 -1.0683E+01 H2 2895 1.008000 0.423800 -5.2922E+00 -1.0636E+01 -1.0661E+01 O6 2896 15.999400 -0.847600 -1.0736E+01 1.8066E+01 5.9583E+00 H1 2897 1.008000 0.423800 -9.8194E+00 1.8428E+01 5.7882E+00 H2 2898 1.008000 0.423800 -1.0970E+01 1.7404E+01 5.2468E+00 O6 2899 15.999400 -0.847600 -9.7516E+00 -1.5732E+01 1.6830E+01 H1 2900 1.008000 0.423800 -1.0297E+01 -1.5006E+01 1.7249E+01 H2 2901 1.008000 0.423800 -1.0143E+01 -1.6621E+01 1.7066E+01 O6 2902 15.999400 -0.847600 -2.0443E+00 -8.0768E+00 -1.1278E+01 H1 2903 1.008000 0.423800 -2.1099E+00 -8.3573E+00 -1.2236E+01 H2 2904 1.008000 0.423800 -2.9176E+00 -7.6887E+00 -1.0984E+01 O6 2905 15.999400 -0.847600 -9.6171E+00 1.6250E+01 1.1468E+01 H1 2906 1.008000 0.423800 -9.2183E+00 1.5929E+01 1.0609E+01 H2 2907 1.008000 0.423800 -1.0536E+01 1.6605E+01 1.1297E+01 O6 2908 15.999400 -0.847600 2.6855E+00 -1.7169E+01 -1.7743E+01 H1 2909 1.008000 0.423800 2.1075E+00 -1.7715E+01 -1.8350E+01 H2 2910 1.008000 0.423800 3.1184E+00 -1.7767E+01 -1.7069E+01 O6 2911 15.999400 -0.847600 7.4825E+00 -7.8956E+00 -1.1541E+01 H1 2912 1.008000 0.423800 8.2957E+00 -8.0867E+00 -1.2091E+01 H2 2913 1.008000 0.423800 7.5794E+00 -7.0023E+00 -1.1102E+01 O6 2914 15.999400 -0.847600 -9.3821E+00 1.5550E+00 1.8057E+01 H1 2915 1.008000 0.423800 -9.2600E+00 1.8227E+00 1.7102E+01 H2 2916 1.008000 0.423800 -9.5259E+00 2.3715E+00 1.8616E+01 O6 2917 15.999400 -0.847600 6.5765E+00 -5.1594E+00 -1.3871E+01 H1 2918 1.008000 0.423800 7.2135E+00 -4.4995E+00 -1.3472E+01 H2 2919 1.008000 0.423800 5.6475E+00 -4.7915E+00 -1.3831E+01 O6 2920 15.999400 -0.847600 -1.4999E+01 -1.4427E+01 -2.4164E-02 H1 2921 1.008000 0.423800 -1.4635E+01 -1.5312E+01 -3.1607E-01 H2 2922 1.008000 0.423800 -1.4249E+01 -1.3771E+01 6.4122E-02 O6 2923 15.999400 -0.847600 -2.7714E+00 -1.7638E+01 2.4544E+00 H1 2924 1.008000 0.423800 -1.8006E+00 -1.7871E+01 2.5121E+00 H2 2925 1.008000 0.423800 -2.8908E+00 -1.6661E+01 2.6343E+00 O6 2926 15.999400 -0.847600 1.6447E+01 -2.8817E-01 -1.9520E+01 H1 2927 1.008000 0.423800 1.6615E+01 5.9650E-01 -1.9084E+01 H2 2928 1.008000 0.423800 1.5695E+01 -7.5262E-01 -1.9051E+01 O6 2929 15.999400 -0.847600 -1.5270E+01 6.2488E+00 1.5249E+01 H1 2930 1.008000 0.423800 -1.5574E+01 5.4093E+00 1.5699E+01 H2 2931 1.008000 0.423800 -1.5033E+01 6.0498E+00 1.4298E+01 O6 2932 15.999400 -0.847600 1.0370E+01 -8.8150E-02 3.9918E+00 H1 2933 1.008000 0.423800 9.5674E+00 3.3049E-01 4.4164E+00 H2 2934 1.008000 0.423800 1.0641E+01 -8.9585E-01 4.5154E+00 O6 2935 15.999400 -0.847600 -1.2898E+00 -1.5836E+01 -1.9105E+01 H1 2936 1.008000 0.423800 -5.3913E-01 -1.5687E+01 -1.8461E+01 H2 2937 1.008000 0.423800 -2.0260E+00 -1.6336E+01 -1.8648E+01 O6 2938 15.999400 -0.847600 -1.4900E+01 -7.2646E+00 -1.3509E+01 H1 2939 1.008000 0.423800 -1.4756E+01 -7.4364E+00 -1.2534E+01 H2 2940 1.008000 0.423800 -1.5777E+01 -7.6545E+00 -1.3790E+01 O6 2941 15.999400 -0.847600 2.1701E-01 -1.4455E+01 -1.4172E+01 H1 2942 1.008000 0.423800 1.0954E+00 -1.4892E+01 -1.4366E+01 H2 2943 1.008000 0.423800 -2.8765E-01 -1.5003E+01 -1.3505E+01 O6 2944 15.999400 -0.847600 1.6041E+01 5.5513E-01 -1.0480E+01 H1 2945 1.008000 0.423800 1.5116E+01 6.0003E-01 -1.0856E+01 H2 2946 1.008000 0.423800 1.6697E+01 8.5876E-01 -1.1171E+01 O6 2947 15.999400 -0.847600 1.2368E+01 2.9794E+00 1.1185E+01 H1 2948 1.008000 0.423800 1.3192E+01 3.5397E+00 1.1274E+01 H2 2949 1.008000 0.423800 1.2268E+01 2.6815E+00 1.0236E+01 O6 2950 15.999400 -0.847600 1.5005E+01 1.1708E+01 1.7253E+01 H1 2951 1.008000 0.423800 1.5572E+01 1.2464E+01 1.6927E+01 H2 2952 1.008000 0.423800 1.5454E+01 1.1265E+01 1.8029E+01 O6 2953 15.999400 -0.847600 -2.6818E+00 2.8713E+00 -1.3131E+01 H1 2954 1.008000 0.423800 -2.4399E+00 1.9319E+00 -1.2888E+01 H2 2955 1.008000 0.423800 -3.6100E+00 3.0686E+00 -1.2815E+01 O6 2956 15.999400 -0.847600 8.0847E+00 1.5134E+01 1.9713E+00 H1 2957 1.008000 0.423800 7.3551E+00 1.4453E+01 1.9083E+00 H2 2958 1.008000 0.423800 7.9341E+00 1.5848E+01 1.2875E+00 O6 2959 15.999400 -0.847600 1.2147E+01 1.8392E+01 7.7344E-01 H1 2960 1.008000 0.423800 1.2751E+01 1.8141E+01 1.6835E-02 H2 2961 1.008000 0.423800 1.2636E+01 1.8287E+01 1.6392E+00 O6 2962 15.999400 -0.847600 1.2921E+01 -8.6036E-01 8.7933E+00 H1 2963 1.008000 0.423800 1.3452E+01 -8.5091E-01 7.9460E+00 H2 2964 1.008000 0.423800 1.2206E+01 -1.5566E+00 8.7306E+00 O6 2965 15.999400 -0.847600 -4.3975E+00 -6.7600E+00 -1.0304E+01 H1 2966 1.008000 0.423800 -5.3347E+00 -6.9525E+00 -1.0014E+01 H2 2967 1.008000 0.423800 -4.3109E+00 -5.7893E+00 -1.0529E+01 O6 2968 15.999400 -0.847600 1.7092E+00 2.7689E+00 1.0271E+01 H1 2969 1.008000 0.423800 1.4923E+00 3.6834E+00 1.0613E+01 H2 2970 1.008000 0.423800 9.3226E-01 2.4144E+00 9.7510E+00 O6 2971 15.999400 -0.847600 5.2258E+00 1.2211E+01 1.2679E+01 H1 2972 1.008000 0.423800 5.6828E+00 1.1358E+01 1.2933E+01 H2 2973 1.008000 0.423800 5.6889E+00 1.2615E+01 1.1890E+01 O6 2974 15.999400 -0.847600 -1.8962E+01 -1.7339E+01 2.8317E+00 H1 2975 1.008000 0.423800 -1.8849E+01 -1.7143E+01 1.8577E+00 H2 2976 1.008000 0.423800 -1.8063E+01 -1.7471E+01 3.2507E+00 O6 2977 15.999400 -0.847600 -2.3479E+00 5.5662E-01 -1.1780E+01 H1 2978 1.008000 0.423800 -3.2768E+00 2.9716E-01 -1.2044E+01 H2 2979 1.008000 0.423800 -1.8026E+00 -2.6745E-01 -1.1627E+01 O6 2980 15.999400 -0.847600 1.2978E+01 1.9083E+00 -5.9823E+00 H1 2981 1.008000 0.423800 1.2878E+01 2.8960E+00 -5.8620E+00 H2 2982 1.008000 0.423800 1.3949E+01 1.6778E+00 -6.0498E+00 O6 2983 15.999400 -0.847600 3.3633E-01 -1.5395E+00 -8.6960E+00 H1 2984 1.008000 0.423800 1.1991E+00 -1.0357E+00 -8.7382E+00 H2 2985 1.008000 0.423800 -8.9334E-02 -1.3971E+00 -7.8024E+00 O6 2986 15.999400 -0.847600 -9.5831E+00 1.6202E+00 1.5029E+01 H1 2987 1.008000 0.423800 -9.3471E+00 2.0731E+00 1.4169E+01 H2 2988 1.008000 0.423800 -1.0563E+01 1.4225E+00 1.5043E+01 O6 2989 15.999400 -0.847600 1.5442E+01 7.3482E+00 3.5745E-01 H1 2990 1.008000 0.423800 1.4691E+01 6.7580E+00 6.5488E-01 H2 2991 1.008000 0.423800 1.5343E+01 7.5463E+00 -6.1778E-01 O6 2992 15.999400 -0.847600 3.8503E+00 1.5865E+01 -1.3101E+01 H1 2993 1.008000 0.423800 3.7430E+00 1.6141E+01 -1.2146E+01 H2 2994 1.008000 0.423800 3.0673E+00 1.5308E+01 -1.3377E+01 O6 2995 15.999400 -0.847600 1.8212E+01 -1.7844E+01 -1.8700E+01 H1 2996 1.008000 0.423800 1.7384E+01 -1.7302E+01 -1.8558E+01 H2 2997 1.008000 0.423800 1.8044E+01 -1.8789E+01 -1.8419E+01 O6 2998 15.999400 -0.847600 1.7934E+01 2.9041E+00 -2.3232E-01 H1 2999 1.008000 0.423800 1.8283E+01 3.5631E+00 4.3379E-01 H2 3000 1.008000 0.423800 1.8628E+01 2.2065E+00 -4.0699E-01 O6 3001 15.999400 -0.847600 -2.3805E+00 1.4598E+01 -1.0954E+01 H1 3002 1.008000 0.423800 -3.2772E+00 1.4938E+01 -1.1238E+01 H2 3003 1.008000 0.423800 -2.4424E+00 1.3620E+01 -1.0755E+01 O6 3004 15.999400 -0.847600 1.0007E+01 1.2763E+01 1.3014E+01 H1 3005 1.008000 0.423800 9.4877E+00 1.3244E+01 1.2307E+01 H2 3006 1.008000 0.423800 9.9999E+00 1.3302E+01 1.3856E+01 O6 3007 15.999400 -0.847600 7.0253E-01 3.1013E+00 -1.5519E+01 H1 3008 1.008000 0.423800 -2.1297E-01 2.7158E+00 -1.5635E+01 H2 3009 1.008000 0.423800 6.9357E-01 4.0660E+00 -1.5782E+01 O6 3010 15.999400 -0.847600 1.8362E+01 -6.2245E+00 1.8387E+01 H1 3011 1.008000 0.423800 1.8506E+01 -6.6263E+00 1.9291E+01 H2 3012 1.008000 0.423800 1.7639E+01 -5.5357E+00 1.8439E+01 O6 3013 15.999400 -0.847600 1.0917E+01 -1.3661E+01 4.3538E-01 H1 3014 1.008000 0.423800 1.1766E+01 -1.4082E+01 7.5480E-01 H2 3015 1.008000 0.423800 1.0999E+01 -1.2666E+01 4.8429E-01 O6 3016 15.999400 -0.847600 -2.9953E+00 -1.7663E+01 -1.7851E+01 H1 3017 1.008000 0.423800 -3.5359E+00 -1.7729E+01 -1.7013E+01 H2 3018 1.008000 0.423800 -2.1369E+00 -1.8162E+01 -1.7734E+01 O6 3019 15.999400 -0.847600 -9.5153E+00 7.5069E+00 1.1925E+01 H1 3020 1.008000 0.423800 -9.3499E+00 7.1783E+00 1.2855E+01 H2 3021 1.008000 0.423800 -9.4595E+00 8.5052E+00 1.1910E+01 O6 3022 15.999400 -0.847600 1.6490E+01 -1.3035E+01 1.8333E+01 H1 3023 1.008000 0.423800 1.6217E+01 -1.3951E+01 1.8042E+01 H2 3024 1.008000 0.423800 1.6681E+01 -1.3040E+01 1.9315E+01 O6 3025 15.999400 -0.847600 -3.4169E+00 -2.9002E+00 -8.0491E+00 H1 3026 1.008000 0.423800 -2.4406E+00 -3.0289E+00 -8.2230E+00 H2 3027 1.008000 0.423800 -3.6467E+00 -3.2701E+00 -7.1490E+00 O6 3028 15.999400 -0.847600 -7.8155E+00 -1.8251E-01 -4.9288E+00 H1 3029 1.008000 0.423800 -7.0509E+00 -2.4161E-01 -4.2870E+00 H2 3030 1.008000 0.423800 -8.6773E+00 -1.8508E-01 -4.4216E+00 O6 3031 15.999400 -0.847600 1.6252E+01 -1.2493E+01 1.7903E-01 H1 3032 1.008000 0.423800 1.7228E+01 -1.2591E+01 3.7032E-01 H2 3033 1.008000 0.423800 1.6082E+01 -1.1602E+01 -2.4187E-01 O6 3034 15.999400 -0.847600 4.2349E+00 1.0670E+01 1.8595E+01 H1 3035 1.008000 0.423800 3.4187E+00 1.0458E+01 1.8057E+01 H2 3036 1.008000 0.423800 5.0067E+00 1.0831E+01 1.7980E+01 O6 3037 15.999400 -0.847600 3.2801E+00 -9.5605E+00 6.3594E+00 H1 3038 1.008000 0.423800 2.9337E+00 -8.6583E+00 6.6165E+00 H2 3039 1.008000 0.423800 3.6156E+00 -1.0033E+01 7.1742E+00 O6 3040 15.999400 -0.847600 -1.5313E+01 -6.2217E+00 1.4350E+01 H1 3041 1.008000 0.423800 -1.4945E+01 -6.5527E+00 1.5219E+01 H2 3042 1.008000 0.423800 -1.4775E+01 -5.4396E+00 1.4036E+01 O6 3043 15.999400 -0.847600 1.6083E+01 -1.5584E+01 4.2466E+00 H1 3044 1.008000 0.423800 1.5171E+01 -1.5374E+01 4.5997E+00 H2 3045 1.008000 0.423800 1.6218E+01 -1.6575E+01 4.2395E+00 O6 3046 15.999400 -0.847600 1.2480E+01 -4.4370E+00 1.2369E+01 H1 3047 1.008000 0.423800 1.3126E+01 -4.4813E+00 1.1606E+01 H2 3048 1.008000 0.423800 1.2554E+01 -3.5460E+00 1.2817E+01 O6 3049 15.999400 -0.847600 6.2553E+00 -1.4184E+01 -3.4955E+00 H1 3050 1.008000 0.423800 5.6379E+00 -1.4394E+01 -2.7375E+00 H2 3051 1.008000 0.423800 6.1488E+00 -1.3224E+01 -3.7556E+00 O6 3052 15.999400 -0.847600 -1.6830E+01 2.5341E+00 -8.6520E+00 H1 3053 1.008000 0.423800 -1.5993E+01 2.3423E+00 -8.1394E+00 H2 3054 1.008000 0.423800 -1.7573E+01 1.9641E+00 -8.3019E+00 O6 3055 15.999400 -0.847600 -9.0762E+00 -3.5077E+00 1.9250E+01 H1 3056 1.008000 0.423800 -8.9208E+00 -3.7812E+00 -1.8899E+01 H2 3057 1.008000 0.423800 -9.4198E+00 -2.5689E+00 1.9225E+01 O6 3058 15.999400 -0.847600 6.3069E+00 -5.4416E-01 2.8384E+00 H1 3059 1.008000 0.423800 6.3856E+00 -1.5304E+00 2.9840E+00 H2 3060 1.008000 0.423800 6.5544E+00 -6.2450E-02 3.6791E+00 O6 3061 15.999400 -0.847600 1.3003E+01 8.0022E+00 1.7001E+01 H1 3062 1.008000 0.423800 1.2383E+01 7.2197E+00 1.7058E+01 H2 3063 1.008000 0.423800 1.2957E+01 8.3976E+00 1.6084E+01 O6 3064 15.999400 -0.847600 2.4686E+00 -1.5394E+01 1.6592E+01 H1 3065 1.008000 0.423800 2.8153E+00 -1.5095E+01 1.7481E+01 H2 3066 1.008000 0.423800 2.2001E+00 -1.6356E+01 1.6646E+01 O6 3067 15.999400 -0.847600 9.7771E-05 1.3000E+01 4.9663E-01 H1 3068 1.008000 0.423800 8.9893E-02 1.3703E+01 -2.0884E-01 H2 3069 1.008000 0.423800 8.9072E-01 1.2576E+01 6.5915E-01 O6 3070 15.999400 -0.847600 -1.9163E+01 -1.8324E+01 -1.2730E+01 H1 3071 1.008000 0.423800 -1.8451E+01 -1.8907E+01 -1.2338E+01 H2 3072 1.008000 0.423800 -1.8856E+01 -1.7372E+01 -1.2720E+01 O6 3073 15.999400 -0.847600 -5.5474E-01 -1.9231E+01 2.6792E+00 H1 3074 1.008000 0.423800 -2.3667E-01 1.8998E+01 2.3004E+00 H2 3075 1.008000 0.423800 2.3160E-01 -1.8645E+01 2.8746E+00 O6 3076 15.999400 -0.847600 -3.9014E+00 -1.9520E+01 1.8384E+01 H1 3077 1.008000 0.423800 -4.8085E+00 1.9218E+01 1.8164E+01 H2 3078 1.008000 0.423800 -3.6262E+00 -1.8859E+01 1.7686E+01 O6 3079 15.999400 -0.847600 1.7939E+01 1.0679E+01 7.7300E+00 H1 3080 1.008000 0.423800 1.8795E+01 1.0697E+01 8.2478E+00 H2 3081 1.008000 0.423800 1.7963E+01 9.9244E+00 7.0740E+00 O6 3082 15.999400 -0.847600 -1.6071E+01 -1.8191E+01 -2.5087E+00 H1 3083 1.008000 0.423800 -1.6403E+01 -1.7858E+01 -1.6259E+00 H2 3084 1.008000 0.423800 -1.5655E+01 -1.7435E+01 -3.0146E+00 O6 3085 15.999400 -0.847600 1.3516E+01 5.6045E+00 7.6722E-01 H1 3086 1.008000 0.423800 1.3208E+01 5.0227E+00 1.4258E-02 H2 3087 1.008000 0.423800 1.3866E+01 5.0325E+00 1.5086E+00 O6 3088 15.999400 -0.847600 -2.1007E+00 1.3759E+00 5.0601E+00 H1 3089 1.008000 0.423800 -1.2594E+00 1.6426E+00 5.5303E+00 H2 3090 1.008000 0.423800 -2.4155E+00 4.9531E-01 5.4142E+00 O6 3091 15.999400 -0.847600 4.9408E+00 4.6311E+00 1.6017E+01 H1 3092 1.008000 0.423800 4.2263E+00 4.4700E+00 1.6698E+01 H2 3093 1.008000 0.423800 5.1401E+00 3.7780E+00 1.5535E+01 O6 3094 15.999400 -0.847600 -6.2244E+00 -1.1922E+01 1.0817E+01 H1 3095 1.008000 0.423800 -5.7083E+00 -1.1176E+01 1.1238E+01 H2 3096 1.008000 0.423800 -6.8794E+00 -1.2289E+01 1.1478E+01 O6 3097 15.999400 -0.847600 1.8301E+01 3.3017E+00 -4.0603E+00 H1 3098 1.008000 0.423800 1.9285E+01 3.4789E+00 -4.0848E+00 H2 3099 1.008000 0.423800 1.7872E+01 3.8989E+00 -3.3828E+00 O6 3100 15.999400 -0.847600 1.4852E+01 -6.5229E+00 -1.8243E+01 H1 3101 1.008000 0.423800 1.5315E+01 -5.9636E+00 -1.8931E+01 H2 3102 1.008000 0.423800 1.4543E+01 -7.3767E+00 -1.8662E+01 O6 3103 15.999400 -0.847600 5.4383E+00 1.1991E+01 -1.3428E+01 H1 3104 1.008000 0.423800 4.5020E+00 1.1893E+01 -1.3091E+01 H2 3105 1.008000 0.423800 5.7774E+00 1.2906E+01 -1.3210E+01 O6 3106 15.999400 -0.847600 4.9836E+00 1.9131E+01 -5.8013E+00 H1 3107 1.008000 0.423800 4.2884E+00 1.8903E+01 -5.1194E+00 H2 3108 1.008000 0.423800 5.5726E+00 -1.9240E+01 -5.4469E+00 O6 3109 15.999400 -0.847600 1.4470E+01 -5.1564E+00 3.3356E+00 H1 3110 1.008000 0.423800 1.4874E+01 -4.3051E+00 3.6703E+00 H2 3111 1.008000 0.423800 1.3492E+01 -5.1644E+00 3.5416E+00 O6 3112 15.999400 -0.847600 -5.4653E+00 5.8309E+00 -1.5549E+01 H1 3113 1.008000 0.423800 -5.4496E+00 6.1742E+00 -1.4610E+01 H2 3114 1.008000 0.423800 -6.0811E+00 6.3946E+00 -1.6099E+01 O6 3115 15.999400 -0.847600 1.8444E+01 1.2597E+01 -1.3757E+01 H1 3116 1.008000 0.423800 1.8205E+01 1.1833E+01 -1.4357E+01 H2 3117 1.008000 0.423800 1.8326E+01 1.2321E+01 -1.2803E+01 O6 3118 15.999400 -0.847600 4.0051E+00 1.2801E+01 -3.2420E+00 H1 3119 1.008000 0.423800 3.9472E+00 1.3007E+01 -4.2189E+00 H2 3120 1.008000 0.423800 3.8237E+00 1.1829E+01 -3.0949E+00 O6 3121 15.999400 -0.847600 -9.6485E-01 -2.9062E+00 -7.4900E-01 H1 3122 1.008000 0.423800 -1.5836E+00 -3.6641E+00 -5.4196E-01 H2 3123 1.008000 0.423800 -3.9875E-01 -3.1442E+00 -1.5382E+00 O6 3124 15.999400 -0.847600 -1.7173E+01 1.1631E+01 1.8357E+01 H1 3125 1.008000 0.423800 -1.7996E+01 1.2198E+01 1.8326E+01 H2 3126 1.008000 0.423800 -1.7399E+01 1.0736E+01 1.8740E+01 O6 3127 15.999400 -0.847600 -1.2644E+01 -1.6062E+01 1.9218E+01 H1 3128 1.008000 0.423800 -1.2244E+01 -1.6345E+01 -1.9008E+01 H2 3129 1.008000 0.423800 -1.2272E+01 -1.5172E+01 1.8954E+01 O6 3130 15.999400 -0.847600 1.8908E+01 4.5742E+00 1.6308E+00 H1 3131 1.008000 0.423800 -1.9217E+01 4.3431E+00 1.5996E+00 H2 3132 1.008000 0.423800 1.8798E+01 5.5041E+00 1.9815E+00 O6 3133 15.999400 -0.847600 1.1569E+01 -1.2656E+01 9.5248E+00 H1 3134 1.008000 0.423800 1.1745E+01 -1.1833E+01 1.0064E+01 H2 3135 1.008000 0.423800 1.0607E+01 -1.2679E+01 9.2556E+00 O6 3136 15.999400 -0.847600 -9.1448E+00 -1.5914E+01 -1.1219E+01 H1 3137 1.008000 0.423800 -8.2133E+00 -1.6208E+01 -1.1433E+01 H2 3138 1.008000 0.423800 -9.7026E+00 -1.6713E+01 -1.0994E+01 O6 3139 15.999400 -0.847600 4.6766E+00 -7.8519E+00 -6.2924E+00 H1 3140 1.008000 0.423800 4.6574E+00 -8.0632E+00 -5.3151E+00 H2 3141 1.008000 0.423800 4.1336E+00 -8.5282E+00 -6.7903E+00 O6 3142 15.999400 -0.847600 1.1679E+01 1.6841E+00 8.6658E+00 H1 3143 1.008000 0.423800 1.2082E+01 7.7540E-01 8.7731E+00 H2 3144 1.008000 0.423800 1.2201E+01 2.2029E+00 7.9891E+00 O6 3145 15.999400 -0.847600 -1.1726E+01 1.3142E+00 4.9580E+00 H1 3146 1.008000 0.423800 -1.2114E+01 6.8979E-01 4.2798E+00 H2 3147 1.008000 0.423800 -1.1713E+01 8.6769E-01 5.8527E+00 O6 3148 15.999400 -0.847600 -1.1038E+01 -1.1561E+01 -1.3568E+01 H1 3149 1.008000 0.423800 -1.2003E+01 -1.1522E+01 -1.3307E+01 H2 3150 1.008000 0.423800 -1.0938E+01 -1.1271E+01 -1.4520E+01 O6 3151 15.999400 -0.847600 -6.4528E-01 -1.8509E+01 -9.2248E+00 H1 3152 1.008000 0.423800 -7.1677E-01 -1.9158E+01 -8.4678E+00 H2 3153 1.008000 0.423800 -4.7628E-01 -1.9006E+01 -1.0076E+01 O6 3154 15.999400 -0.847600 1.4139E-01 -1.5738E+01 1.3293E+00 H1 3155 1.008000 0.423800 -8.1150E-01 -1.5449E+01 1.2372E+00 H2 3156 1.008000 0.423800 6.5441E-01 -1.5040E+01 1.8294E+00 O6 3157 15.999400 -0.847600 2.5641E-01 7.4119E+00 6.4154E+00 H1 3158 1.008000 0.423800 1.0395E+00 6.8873E+00 6.0814E+00 H2 3159 1.008000 0.423800 -5.8331E-01 7.0533E+00 6.0076E+00 O6 3160 15.999400 -0.847600 -7.0866E+00 1.4270E+01 6.8433E+00 H1 3161 1.008000 0.423800 -7.8399E+00 1.4422E+01 7.4830E+00 H2 3162 1.008000 0.423800 -6.6642E+00 1.5146E+01 6.6106E+00 O6 3163 15.999400 -0.847600 1.9519E+01 1.3750E+00 2.6161E+00 H1 3164 1.008000 0.423800 1.8521E+01 1.3444E+00 2.6733E+00 H2 3165 1.008000 0.423800 -1.9204E+01 1.6913E+00 3.4878E+00 O6 3166 15.999400 -0.847600 8.9732E-01 -5.5261E+00 -8.9958E+00 H1 3167 1.008000 0.423800 3.3292E-01 -6.3484E+00 -8.9228E+00 H2 3168 1.008000 0.423800 1.8550E+00 -5.7886E+00 -9.1137E+00 O6 3169 15.999400 -0.847600 -6.9287E+00 1.9076E+00 4.9595E+00 H1 3170 1.008000 0.423800 -6.3408E+00 2.1190E+00 5.7404E+00 H2 3171 1.008000 0.423800 -6.6303E+00 2.4363E+00 4.1649E+00 O6 3172 15.999400 -0.847600 5.2636E+00 1.3822E+00 -1.8873E+00 H1 3173 1.008000 0.423800 5.8700E+00 7.0759E-01 -1.4663E+00 H2 3174 1.008000 0.423800 5.2842E+00 1.2743E+00 -2.8813E+00 O6 3175 15.999400 -0.847600 5.5258E+00 -2.3071E+00 -1.5491E+01 H1 3176 1.008000 0.423800 4.9768E+00 -2.9980E+00 -1.5021E+01 H2 3177 1.008000 0.423800 6.2466E+00 -1.9811E+00 -1.4880E+01 O6 3178 15.999400 -0.847600 1.7621E+01 1.0754E+01 -5.8687E+00 H1 3179 1.008000 0.423800 1.7611E+01 9.9241E+00 -6.4270E+00 H2 3180 1.008000 0.423800 1.8386E+01 1.1334E+01 -6.1479E+00 O6 3181 15.999400 -0.847600 -1.5150E+01 -4.9136E+00 -5.5299E+00 H1 3182 1.008000 0.423800 -1.4307E+01 -4.4006E+00 -5.6902E+00 H2 3183 1.008000 0.423800 -1.5718E+01 -4.8875E+00 -6.3529E+00 O6 3184 15.999400 -0.847600 9.4001E+00 7.5465E+00 2.1721E+00 H1 3185 1.008000 0.423800 8.8630E+00 8.3505E+00 1.9169E+00 H2 3186 1.008000 0.423800 9.7830E+00 7.1266E+00 1.3493E+00 O6 3187 15.999400 -0.847600 1.2748E+01 1.3911E+01 1.2522E+01 H1 3188 1.008000 0.423800 1.2170E+01 1.3117E+01 1.2339E+01 H2 3189 1.008000 0.423800 1.3592E+01 1.3839E+01 1.1991E+01 O6 3190 15.999400 -0.847600 -1.6652E+01 -9.7520E+00 1.5754E+01 H1 3191 1.008000 0.423800 -1.5681E+01 -9.5821E+00 1.5587E+01 H2 3192 1.008000 0.423800 -1.7188E+01 -8.9754E+00 1.5423E+01 O6 3193 15.999400 -0.847600 1.8931E+01 -1.8749E+01 6.3770E+00 H1 3194 1.008000 0.423800 -1.9387E+01 -1.9250E+01 6.0020E+00 H2 3195 1.008000 0.423800 1.9132E+01 -1.7769E+01 6.3734E+00 O6 3196 15.999400 -0.847600 8.2896E+00 -9.8661E+00 1.1199E+01 H1 3197 1.008000 0.423800 9.0847E+00 -9.8227E+00 1.0594E+01 H2 3198 1.008000 0.423800 8.4761E+00 -9.3460E+00 1.2033E+01 O6 3199 15.999400 -0.847600 7.8940E+00 -1.3635E+01 1.0181E+01 H1 3200 1.008000 0.423800 6.9049E+00 -1.3617E+01 1.0327E+01 H2 3201 1.008000 0.423800 8.1513E+00 -1.4498E+01 9.7471E+00 O6 3202 15.999400 -0.847600 1.5337E+01 1.9052E+01 -1.7290E+01 H1 3203 1.008000 0.423800 1.4895E+01 -1.9373E+01 -1.6695E+01 H2 3204 1.008000 0.423800 1.5182E+01 1.9301E+01 -1.8246E+01 O6 3205 15.999400 -0.847600 -1.4957E+01 3.9546E+00 -1.6671E+01 H1 3206 1.008000 0.423800 -1.4589E+01 3.1759E+00 -1.6163E+01 H2 3207 1.008000 0.423800 -1.4899E+01 3.7701E+00 -1.7652E+01 O6 3208 15.999400 -0.847600 -1.1614E+00 1.1410E+01 4.2135E+00 H1 3209 1.008000 0.423800 -9.7185E-01 1.2307E+01 3.8152E+00 H2 3210 1.008000 0.423800 -1.3142E+00 1.0746E+01 3.4814E+00 O6 3211 15.999400 -0.847600 -1.7810E+01 1.8751E+01 -2.5071E+00 H1 3212 1.008000 0.423800 -1.7386E+01 -1.9505E+01 -2.1740E+00 H2 3213 1.008000 0.423800 -1.8777E+01 1.8918E+01 -2.7003E+00 O6 3214 15.999400 -0.847600 -1.7460E+01 -1.1872E+01 -6.6232E+00 H1 3215 1.008000 0.423800 -1.7961E+01 -1.1026E+01 -6.8075E+00 H2 3216 1.008000 0.423800 -1.7404E+01 -1.2415E+01 -7.4611E+00 O6 3217 15.999400 -0.847600 -1.5021E+01 -4.9625E+00 4.3147E+00 H1 3218 1.008000 0.423800 -1.4803E+01 -5.8396E+00 3.8868E+00 H2 3219 1.008000 0.423800 -1.5459E+01 -5.1232E+00 5.1996E+00 O6 3220 15.999400 -0.847600 4.4585E+00 1.0650E+01 1.1242E-02 H1 3221 1.008000 0.423800 5.1163E+00 1.1387E+01 -1.4229E-01 H2 3222 1.008000 0.423800 4.2248E+00 1.0225E+01 -8.6301E-01 O6 3223 15.999400 -0.847600 -1.8033E+01 -1.2575E+01 -2.5218E+00 H1 3224 1.008000 0.423800 -1.9019E+01 -1.2517E+01 -2.3601E+00 H2 3225 1.008000 0.423800 -1.7858E+01 -1.3187E+01 -3.2923E+00 O6 3226 15.999400 -0.847600 1.0916E+01 1.4126E+01 8.6311E+00 H1 3227 1.008000 0.423800 1.1642E+01 1.3676E+01 8.1113E+00 H2 3228 1.008000 0.423800 1.1145E+01 1.5091E+01 8.7565E+00 O6 3229 15.999400 -0.847600 7.1061E+00 -7.4572E+00 -1.5213E+01 H1 3230 1.008000 0.423800 6.4891E+00 -8.2090E+00 -1.4980E+01 H2 3231 1.008000 0.423800 6.8384E+00 -6.6376E+00 -1.4706E+01 O6 3232 15.999400 -0.847600 -1.2689E+01 -3.5424E+00 1.5835E+01 H1 3233 1.008000 0.423800 -1.2868E+01 -3.7104E+00 1.4865E+01 H2 3234 1.008000 0.423800 -1.2397E+01 -4.3931E+00 1.6272E+01 O6 3235 15.999400 -0.847600 1.6130E+01 4.7841E+00 -5.2499E+00 H1 3236 1.008000 0.423800 1.6542E+01 5.5193E+00 -4.7120E+00 H2 3237 1.008000 0.423800 1.6702E+01 3.9660E+00 -5.1899E+00 O6 3238 15.999400 -0.847600 -1.9195E+01 -1.6543E+01 -5.3605E+00 H1 3239 1.008000 0.423800 1.9537E+01 -1.6380E+01 -4.4441E+00 H2 3240 1.008000 0.423800 1.9363E+01 -1.7254E+01 -5.8129E+00 O6 3241 15.999400 -0.847600 1.8369E+01 8.4191E+00 -1.3804E+01 H1 3242 1.008000 0.423800 1.8001E+01 7.5407E+00 -1.3499E+01 H2 3243 1.008000 0.423800 1.8784E+01 8.8940E+00 -1.3028E+01 O6 3244 15.999400 -0.847600 -1.7298E+01 -1.3259E+01 -1.5807E+01 H1 3245 1.008000 0.423800 -1.8131E+01 -1.3792E+01 -1.5954E+01 H2 3246 1.008000 0.423800 -1.7237E+01 -1.2538E+01 -1.6498E+01 O6 3247 15.999400 -0.847600 -2.7754E+00 -1.5225E+01 8.5838E+00 H1 3248 1.008000 0.423800 -2.8745E+00 -1.5490E+01 7.6247E+00 H2 3249 1.008000 0.423800 -3.6073E+00 -1.4761E+01 8.8891E+00 O6 3250 15.999400 -0.847600 -1.4843E+00 -4.6842E-01 2.3409E+00 H1 3251 1.008000 0.423800 -1.1115E+00 -4.3862E-02 3.1661E+00 H2 3252 1.008000 0.423800 -7.4495E-01 -6.3445E-01 1.6885E+00 O6 3253 15.999400 -0.847600 1.8534E+01 -1.9023E+01 -6.5521E+00 H1 3254 1.008000 0.423800 1.9205E+01 1.9374E+01 -6.3088E+00 H2 3255 1.008000 0.423800 1.8757E+01 -1.8646E+01 -7.4513E+00 O6 3256 15.999400 -0.847600 1.9459E+01 5.1078E+00 1.6566E+01 H1 3257 1.008000 0.423800 1.9165E+01 5.5933E+00 1.5743E+01 H2 3258 1.008000 0.423800 -1.9295E+01 4.2032E+00 1.6315E+01 O6 3259 15.999400 -0.847600 -4.4304E+00 1.6166E+01 -1.9065E+01 H1 3260 1.008000 0.423800 -5.2974E+00 1.5943E+01 -1.9510E+01 H2 3261 1.008000 0.423800 -3.9433E+00 1.5322E+01 -1.8841E+01 O6 3262 15.999400 -0.847600 -8.5129E+00 -9.3546E+00 1.1438E+01 H1 3263 1.008000 0.423800 -8.2134E+00 -9.3433E+00 1.2392E+01 H2 3264 1.008000 0.423800 -7.7361E+00 -9.5730E+00 1.0848E+01 O6 3265 15.999400 -0.847600 -5.2512E+00 6.1081E-01 -1.0584E+01 H1 3266 1.008000 0.423800 -4.8659E+00 3.6976E-01 -9.6933E+00 H2 3267 1.008000 0.423800 -6.2056E+00 3.1523E-01 -1.0625E+01 O6 3268 15.999400 -0.847600 1.5379E+01 -7.0431E+00 1.1669E+01 H1 3269 1.008000 0.423800 1.5848E+01 -7.6129E+00 1.0994E+01 H2 3270 1.008000 0.423800 1.4524E+01 -7.4841E+00 1.1942E+01 O6 3271 15.999400 -0.847600 2.3410E+00 -7.9739E+00 -1.7724E+01 H1 3272 1.008000 0.423800 1.5158E+00 -7.4122E+00 -1.7663E+01 H2 3273 1.008000 0.423800 2.3344E+00 -8.6559E+00 -1.6993E+01 O6 3274 15.999400 -0.847600 -3.1765E+00 -1.0908E+01 1.4846E+01 H1 3275 1.008000 0.423800 -2.9485E+00 -1.1494E+01 1.4068E+01 H2 3276 1.008000 0.423800 -2.6750E+00 -1.1217E+01 1.5654E+01 O6 3277 15.999400 -0.847600 1.3693E+01 1.5493E+01 1.8922E+01 H1 3278 1.008000 0.423800 1.3492E+01 1.4527E+01 1.8763E+01 H2 3279 1.008000 0.423800 1.3489E+01 1.5724E+01 -1.9224E+01 O6 3280 15.999400 -0.847600 -1.0567E+01 6.4410E+00 -9.4232E+00 H1 3281 1.008000 0.423800 -1.1233E+01 5.9345E+00 -8.8759E+00 H2 3282 1.008000 0.423800 -9.6460E+00 6.1091E+00 -9.2182E+00 O6 3283 15.999400 -0.847600 -1.5798E+01 3.6915E+00 1.5737E+01 H1 3284 1.008000 0.423800 -1.4862E+01 3.4173E+00 1.5955E+01 H2 3285 1.008000 0.423800 -1.6233E+01 2.9807E+00 1.5184E+01 O6 3286 15.999400 -0.847600 -1.7411E+01 -5.7309E+00 -1.7430E+01 H1 3287 1.008000 0.423800 -1.6666E+01 -5.3264E+00 -1.6899E+01 H2 3288 1.008000 0.423800 -1.7032E+01 -6.2460E+00 -1.8198E+01 O6 3289 15.999400 -0.847600 -1.3367E+01 -1.6734E+01 2.8753E-01 H1 3290 1.008000 0.423800 -1.2630E+01 -1.6995E+01 -3.3536E-01 H2 3291 1.008000 0.423800 -1.3846E+01 -1.7554E+01 5.9915E-01 O6 3292 15.999400 -0.847600 6.1825E+00 7.8668E-01 1.8054E+01 H1 3293 1.008000 0.423800 6.4736E+00 1.6279E+00 1.8509E+01 H2 3294 1.008000 0.423800 5.2688E+00 9.1544E-01 1.7668E+01 O6 3295 15.999400 -0.847600 -4.9937E+00 1.2150E+01 1.9025E+01 H1 3296 1.008000 0.423800 -4.4229E+00 1.1626E+01 -1.9440E+01 H2 3297 1.008000 0.423800 -4.9779E+00 1.1716E+01 1.8125E+01 O6 3298 15.999400 -0.847600 -8.1397E+00 -3.8440E+00 -1.7677E+00 H1 3299 1.008000 0.423800 -8.6449E+00 -3.6654E+00 -9.2339E-01 H2 3300 1.008000 0.423800 -8.7840E+00 -3.9564E+00 -2.5242E+00 O6 3301 15.999400 -0.847600 -1.0003E+01 -9.3473E+00 -1.0422E+01 H1 3302 1.008000 0.423800 -9.1770E+00 -9.0405E+00 -1.0895E+01 H2 3303 1.008000 0.423800 -1.0395E+01 -8.5848E+00 -9.9078E+00 O6 3304 15.999400 -0.847600 -1.2471E+01 -9.1419E+00 3.3487E+00 H1 3305 1.008000 0.423800 -1.3393E+01 -9.4586E+00 3.5706E+00 H2 3306 1.008000 0.423800 -1.1907E+01 -9.1546E+00 4.1741E+00 O6 3307 15.999400 -0.847600 4.0430E+00 3.4098E+00 2.4360E+00 H1 3308 1.008000 0.423800 4.6610E+00 3.4366E+00 1.6503E+00 H2 3309 1.008000 0.423800 4.2516E+00 4.1709E+00 3.0502E+00 O6 3310 15.999400 -0.847600 -1.2031E+01 -5.5484E-02 1.1729E+01 H1 3311 1.008000 0.423800 -1.2091E+01 1.5102E-01 1.2705E+01 H2 3312 1.008000 0.423800 -1.1309E+01 4.9862E-01 1.1314E+01 O6 3313 15.999400 -0.847600 1.0088E+01 1.4058E+01 1.5683E+01 H1 3314 1.008000 0.423800 9.3614E+00 1.4612E+01 1.6089E+01 H2 3315 1.008000 0.423800 1.0052E+01 1.3132E+01 1.6060E+01 O6 3316 15.999400 -0.847600 -8.4104E+00 -1.9333E+00 6.0444E+00 H1 3317 1.008000 0.423800 -7.8221E+00 -1.3300E+00 6.5827E+00 H2 3318 1.008000 0.423800 -9.2543E+00 -1.4517E+00 5.8078E+00 O6 3319 15.999400 -0.847600 1.0853E+00 1.7595E+01 -1.6368E+01 H1 3320 1.008000 0.423800 8.7122E-01 1.6805E+01 -1.6943E+01 H2 3321 1.008000 0.423800 4.9692E-01 1.7588E+01 -1.5560E+01 O6 3322 15.999400 -0.847600 -3.6527E+00 -4.1696E+00 -1.0948E+01 H1 3323 1.008000 0.423800 -2.8808E+00 -3.9354E+00 -1.0357E+01 H2 3324 1.008000 0.423800 -4.4486E+00 -3.6224E+00 -1.0689E+01 O6 3325 15.999400 -0.847600 1.4675E+01 -6.4657E+00 -1.4223E+01 H1 3326 1.008000 0.423800 1.4600E+01 -7.4370E+00 -1.3997E+01 H2 3327 1.008000 0.423800 1.3928E+01 -6.2068E+00 -1.4834E+01 O6 3328 15.999400 -0.847600 -1.6283E+01 1.8739E+01 -1.4973E+01 H1 3329 1.008000 0.423800 -1.6431E+01 -1.9434E+01 -1.5325E+01 H2 3330 1.008000 0.423800 -1.6305E+01 1.8755E+01 -1.3974E+01 O6 3331 15.999400 -0.847600 3.3747E+00 -3.6561E+00 1.7228E+01 H1 3332 1.008000 0.423800 2.5398E+00 -4.0811E+00 1.6878E+01 H2 3333 1.008000 0.423800 3.9063E+00 -4.3341E+00 1.7736E+01 O6 3334 15.999400 -0.847600 7.1740E+00 2.2052E-01 8.2052E+00 H1 3335 1.008000 0.423800 7.8229E+00 9.4711E-01 8.4310E+00 H2 3336 1.008000 0.423800 6.3130E+00 3.8087E-01 8.6877E+00 O6 3337 15.999400 -0.847600 2.6799E+00 -5.1380E+00 1.4320E+01 H1 3338 1.008000 0.423800 2.4595E+00 -4.2522E+00 1.3912E+01 H2 3339 1.008000 0.423800 2.1647E+00 -5.2507E+00 1.5170E+01 O6 3340 15.999400 -0.847600 5.4827E+00 -2.4517E+00 1.5937E+01 H1 3341 1.008000 0.423800 4.7038E+00 -2.6682E+00 1.6526E+01 H2 3342 1.008000 0.423800 6.2409E+00 -2.1177E+00 1.6497E+01 O6 3343 15.999400 -0.847600 1.4965E+01 -1.0283E+01 -9.8753E+00 H1 3344 1.008000 0.423800 1.5163E+01 -1.0907E+01 -9.1189E+00 H2 3345 1.008000 0.423800 1.4984E+01 -9.3402E+00 -9.5433E+00 O6 3346 15.999400 -0.847600 5.4011E+00 -8.8613E+00 -3.9261E+00 H1 3347 1.008000 0.423800 6.1959E+00 -9.1075E+00 -4.4807E+00 H2 3348 1.008000 0.423800 5.6949E+00 -8.2967E+00 -3.1548E+00 O6 3349 15.999400 -0.847600 -7.4581E+00 -7.9908E+00 -7.1743E+00 H1 3350 1.008000 0.423800 -8.4053E+00 -8.0382E+00 -6.8572E+00 H2 3351 1.008000 0.423800 -7.0691E+00 -8.9117E+00 -7.2008E+00 O6 3352 15.999400 -0.847600 4.2620E+00 1.6728E+01 -5.1252E-01 H1 3353 1.008000 0.423800 3.9151E+00 1.7591E+01 -8.7827E-01 H2 3354 1.008000 0.423800 3.6017E+00 1.6352E+01 1.3773E-01 O6 3355 15.999400 -0.847600 9.9481E+00 -8.6051E+00 -1.3415E+01 H1 3356 1.008000 0.423800 1.0606E+01 -8.3837E+00 -1.2694E+01 H2 3357 1.008000 0.423800 1.0018E+01 -7.9298E+00 -1.4149E+01 O6 3358 15.999400 -0.847600 1.0700E+01 2.9355E+00 -9.8760E+00 H1 3359 1.008000 0.423800 1.1658E+01 2.7511E+00 -9.6550E+00 H2 3360 1.008000 0.423800 1.0398E+01 2.3105E+00 -1.0596E+01 O6 3361 15.999400 -0.847600 8.5963E+00 4.7553E+00 -1.8638E+01 H1 3362 1.008000 0.423800 9.3040E+00 4.1502E+00 -1.8273E+01 H2 3363 1.008000 0.423800 7.9432E+00 4.9783E+00 -1.7914E+01 O6 3364 15.999400 -0.847600 1.1853E+01 1.2538E+01 -1.5934E+01 H1 3365 1.008000 0.423800 1.1009E+01 1.2586E+01 -1.6469E+01 H2 3366 1.008000 0.423800 1.2598E+01 1.2962E+01 -1.6449E+01 O6 3367 15.999400 -0.847600 8.5854E+00 -1.0405E+01 1.1243E+00 H1 3368 1.008000 0.423800 8.5811E+00 -1.1050E+01 3.6028E-01 H2 3369 1.008000 0.423800 8.3056E+00 -9.5015E+00 7.9930E-01 O6 3370 15.999400 -0.847600 3.9406E+00 -3.2488E+00 -5.0279E+00 H1 3371 1.008000 0.423800 4.7967E+00 -3.0007E+00 -4.5745E+00 H2 3372 1.008000 0.423800 3.6223E+00 -4.1303E+00 -4.6793E+00 O6 3373 15.999400 -0.847600 1.4245E+01 5.1960E+00 -2.0830E+00 H1 3374 1.008000 0.423800 1.3643E+01 4.5203E+00 -2.5085E+00 H2 3375 1.008000 0.423800 1.3953E+01 6.1154E+00 -2.3468E+00 O6 3376 15.999400 -0.847600 -1.0613E+01 7.5263E+00 -1.6649E+01 H1 3377 1.008000 0.423800 -1.0666E+01 7.4668E+00 -1.7646E+01 H2 3378 1.008000 0.423800 -1.1146E+01 6.7845E+00 -1.6242E+01 O6 3379 15.999400 -0.847600 7.5983E+00 5.7260E+00 3.1085E+00 H1 3380 1.008000 0.423800 8.2120E+00 6.4349E+00 2.7606E+00 H2 3381 1.008000 0.423800 8.1098E+00 5.1041E+00 3.7014E+00 O6 3382 15.999400 -0.847600 -1.9483E+00 -3.7000E-01 7.6729E+00 H1 3383 1.008000 0.423800 -1.2057E+00 1.2884E-01 8.1198E+00 H2 3384 1.008000 0.423800 -2.8256E+00 -6.0933E-02 8.0402E+00 O6 3385 15.999400 -0.847600 -1.3948E+01 -2.5218E-01 9.6488E+00 H1 3386 1.008000 0.423800 -1.3257E+01 -1.7716E-01 1.0367E+01 H2 3387 1.008000 0.423800 -1.3806E+01 -1.0997E+00 9.1373E+00 O6 3388 15.999400 -0.847600 1.5472E+01 -9.8759E+00 -1.6721E+01 H1 3389 1.008000 0.423800 1.5984E+01 -9.1005E+00 -1.6351E+01 H2 3390 1.008000 0.423800 1.5417E+01 -9.7947E+00 -1.7716E+01 O6 3391 15.999400 -0.847600 -9.0099E+00 1.0396E+01 4.7556E+00 H1 3392 1.008000 0.423800 -8.1770E+00 1.0027E+01 5.1679E+00 H2 3393 1.008000 0.423800 -8.7720E+00 1.0927E+01 3.9419E+00 O6 3394 15.999400 -0.847600 -1.8437E+01 1.6090E+01 7.3552E+00 H1 3395 1.008000 0.423800 -1.7662E+01 1.5602E+01 6.9541E+00 H2 3396 1.008000 0.423800 -1.8412E+01 1.5995E+01 8.3504E+00 O6 3397 15.999400 -0.847600 -1.6989E+01 -3.0400E+00 1.3474E+01 H1 3398 1.008000 0.423800 -1.7772E+01 -2.9683E+00 1.4091E+01 H2 3399 1.008000 0.423800 -1.6142E+01 -2.9428E+00 1.3996E+01 O6 3400 15.999400 -0.847600 -1.2583E+01 3.5656E+00 -1.1649E+01 H1 3401 1.008000 0.423800 -1.1960E+01 2.7882E+00 -1.1739E+01 H2 3402 1.008000 0.423800 -1.3289E+01 3.3513E+00 -1.0975E+01 O6 3403 15.999400 -0.847600 4.7151E+00 1.8162E+01 -1.4121E+01 H1 3404 1.008000 0.423800 5.1124E+00 1.8760E+01 -1.3424E+01 H2 3405 1.008000 0.423800 4.1983E+00 1.7430E+01 -1.3677E+01 O6 3406 15.999400 -0.847600 1.5553E+01 -1.7020E+01 -1.5122E+01 H1 3407 1.008000 0.423800 1.4861E+01 -1.6967E+01 -1.4403E+01 H2 3408 1.008000 0.423800 1.6378E+01 -1.7453E+01 -1.4759E+01 O6 3409 15.999400 -0.847600 -1.1668E+01 -4.6992E+00 3.9974E+00 H1 3410 1.008000 0.423800 -1.0860E+01 -5.1292E+00 3.5951E+00 H2 3411 1.008000 0.423800 -1.2080E+01 -5.3210E+00 4.6640E+00 O6 3412 15.999400 -0.847600 -5.5982E-01 -1.4002E+01 5.2081E+00 H1 3413 1.008000 0.423800 -1.9945E-01 -1.4876E+01 4.8819E+00 H2 3414 1.008000 0.423800 -4.5674E-01 -1.3311E+01 4.4926E+00 O6 3415 15.999400 -0.847600 -3.7750E+00 8.3575E+00 1.8475E+01 H1 3416 1.008000 0.423800 -2.9932E+00 7.8629E+00 1.8095E+01 H2 3417 1.008000 0.423800 -3.6278E+00 8.5141E+00 1.9452E+01 O6 3418 15.999400 -0.847600 1.6048E+01 -1.9501E+01 -5.4863E+00 H1 3419 1.008000 0.423800 1.5349E+01 -1.8814E+01 -5.6851E+00 H2 3420 1.008000 0.423800 1.6901E+01 -1.9252E+01 -5.9446E+00 O6 3421 15.999400 -0.847600 1.4146E+01 -6.1141E+00 1.5215E+01 H1 3422 1.008000 0.423800 1.4027E+01 -5.3123E+00 1.5801E+01 H2 3423 1.008000 0.423800 1.3390E+01 -6.1644E+00 1.4562E+01 O6 3424 15.999400 -0.847600 1.0909E+01 9.5339E+00 1.5048E+01 H1 3425 1.008000 0.423800 1.1725E+01 1.0094E+01 1.4907E+01 H2 3426 1.008000 0.423800 1.0193E+01 9.8206E+00 1.4411E+01 O6 3427 15.999400 -0.847600 -1.8284E+01 -8.8763E+00 -6.8236E+00 H1 3428 1.008000 0.423800 -1.7778E+01 -8.5861E+00 -7.6361E+00 H2 3429 1.008000 0.423800 -1.7898E+01 -8.4322E+00 -6.0148E+00 O6 3430 15.999400 -0.847600 -1.0314E+01 -4.7109E+00 -2.9044E+00 H1 3431 1.008000 0.423800 -1.1203E+01 -4.3219E+00 -2.6634E+00 H2 3432 1.008000 0.423800 -1.0114E+01 -5.4834E+00 -2.3018E+00 O6 3433 15.999400 -0.847600 -1.8360E+01 1.3888E+01 -1.1858E+01 H1 3434 1.008000 0.423800 -1.7746E+01 1.3713E+01 -1.2627E+01 H2 3435 1.008000 0.423800 -1.8034E+01 1.3394E+01 -1.1052E+01 O6 3436 15.999400 -0.847600 1.2806E+01 -1.8589E+01 -1.6814E+01 H1 3437 1.008000 0.423800 1.2995E+01 -1.7881E+01 -1.7495E+01 H2 3438 1.008000 0.423800 1.2126E+01 -1.8252E+01 -1.6163E+01 O6 3439 15.999400 -0.847600 -1.1696E+01 1.7928E+01 1.4445E+01 H1 3440 1.008000 0.423800 -1.0806E+01 1.7955E+01 1.4899E+01 H2 3441 1.008000 0.423800 -1.2008E+01 1.6980E+01 1.4379E+01 O6 3442 15.999400 -0.847600 -1.6356E+01 8.2182E+00 -1.5551E+01 H1 3443 1.008000 0.423800 -1.5829E+01 7.3984E+00 -1.5326E+01 H2 3444 1.008000 0.423800 -1.5872E+01 9.0272E+00 -1.5217E+01 O6 3445 15.999400 -0.847600 -1.9402E+01 -6.2342E+00 -8.9891E+00 H1 3446 1.008000 0.423800 1.9496E+01 -5.2982E+00 -9.2790E+00 H2 3447 1.008000 0.423800 -1.9395E+01 -6.2794E+00 -7.9901E+00 O6 3448 15.999400 -0.847600 1.8247E+01 3.2137E+00 1.2541E+01 H1 3449 1.008000 0.423800 1.7703E+01 2.4025E+00 1.2754E+01 H2 3450 1.008000 0.423800 1.7885E+01 3.6515E+00 1.1718E+01 O6 3451 15.999400 -0.847600 -1.3738E+01 -1.2382E+01 -1.5232E+01 H1 3452 1.008000 0.423800 -1.3300E+01 -1.3189E+01 -1.4837E+01 H2 3453 1.008000 0.423800 -1.4730E+01 -1.2510E+01 -1.5238E+01 O6 3454 15.999400 -0.847600 2.9247E+00 -1.6568E+01 5.0954E+00 H1 3455 1.008000 0.423800 3.6080E+00 -1.7172E+01 4.6856E+00 H2 3456 1.008000 0.423800 3.1198E+00 -1.5621E+01 4.8381E+00 O6 3457 15.999400 -0.847600 -1.7471E+01 1.2535E+01 -9.3574E+00 H1 3458 1.008000 0.423800 -1.7984E+01 1.1677E+01 -9.3194E+00 H2 3459 1.008000 0.423800 -1.6492E+01 1.2341E+01 -9.3026E+00 O6 3460 15.999400 -0.847600 -4.2459E+00 -1.0344E+01 3.6506E+00 H1 3461 1.008000 0.423800 -4.9572E+00 -1.1044E+01 3.5822E+00 H2 3462 1.008000 0.423800 -4.6715E+00 -9.4421E+00 3.7218E+00 O6 3463 15.999400 -0.847600 1.0116E+01 6.3725E+00 -1.9503E-01 H1 3464 1.008000 0.423800 9.9689E+00 5.4288E+00 1.0126E-01 H2 3465 1.008000 0.423800 1.0297E+01 6.3887E+00 -1.1783E+00 O6 3466 15.999400 -0.847600 1.9120E+01 -4.8906E+00 -1.4567E+01 H1 3467 1.008000 0.423800 1.9089E+01 -5.6978E+00 -1.3977E+01 H2 3468 1.008000 0.423800 1.8518E+01 -5.0285E+00 -1.5353E+01 O6 3469 15.999400 -0.847600 -6.0189E+00 3.4250E+00 1.7474E+01 H1 3470 1.008000 0.423800 -5.1330E+00 3.8588E+00 1.7310E+01 H2 3471 1.008000 0.423800 -6.3218E+00 3.6277E+00 1.8405E+01 O6 3472 15.999400 -0.847600 -6.2226E+00 4.9866E+00 1.7430E+00 H1 3473 1.008000 0.423800 -6.2422E+00 5.8104E+00 2.3096E+00 H2 3474 1.008000 0.423800 -5.4916E+00 4.3819E+00 2.0591E+00 O6 3475 15.999400 -0.847600 -1.7748E-01 7.8171E+00 1.9232E+01 H1 3476 1.008000 0.423800 5.7134E-01 7.9963E+00 -1.9228E+01 H2 3477 1.008000 0.423800 -4.4132E-01 8.6692E+00 1.8780E+01 O6 3478 15.999400 -0.847600 -1.2975E+01 -5.2180E+00 8.8688E+00 H1 3479 1.008000 0.423800 -1.2395E+01 -5.8582E+00 9.3725E+00 H2 3480 1.008000 0.423800 -1.3934E+01 -5.3881E+00 9.0954E+00 O6 3481 15.999400 -0.847600 -9.6531E+00 1.4332E+01 -9.0662E+00 H1 3482 1.008000 0.423800 -9.0106E+00 1.4529E+01 -9.8068E+00 H2 3483 1.008000 0.423800 -1.0268E+01 1.5111E+01 -8.9428E+00 O6 3484 15.999400 -0.847600 -1.4199E+01 -1.1021E+01 1.4290E+01 H1 3485 1.008000 0.423800 -1.4831E+01 -1.1795E+01 1.4266E+01 H2 3486 1.008000 0.423800 -1.3902E+01 -1.0804E+01 1.3360E+01 O6 3487 15.999400 -0.847600 -1.1529E+01 -1.7626E+01 -1.6605E+00 H1 3488 1.008000 0.423800 -1.2235E+01 -1.8148E+01 -2.1402E+00 H2 3489 1.008000 0.423800 -1.1136E+01 -1.6949E+01 -2.2815E+00 O6 3490 15.999400 -0.847600 -1.8943E+01 1.1348E+01 1.2441E+00 H1 3491 1.008000 0.423800 -1.9321E+01 1.1776E+01 4.2337E-01 H2 3492 1.008000 0.423800 -1.8691E+01 1.0402E+01 1.0406E+00 O6 3493 15.999400 -0.847600 1.1758E+01 -1.6797E+01 2.3861E+00 H1 3494 1.008000 0.423800 1.0803E+01 -1.7058E+01 2.5272E+00 H2 3495 1.008000 0.423800 1.1959E+01 -1.6787E+01 1.4066E+00 O6 3496 15.999400 -0.847600 -1.4103E+01 1.6255E+01 -1.8794E+01 H1 3497 1.008000 0.423800 -1.4587E+01 1.6929E+01 -1.8238E+01 H2 3498 1.008000 0.423800 -1.4707E+01 1.5924E+01 -1.9519E+01 O6 3499 15.999400 -0.847600 -1.6249E+01 1.3345E+01 -4.1491E+00 H1 3500 1.008000 0.423800 -1.7128E+01 1.3812E+01 -4.2473E+00 H2 3501 1.008000 0.423800 -1.6273E+01 1.2758E+01 -3.3396E+00 O6 3502 15.999400 -0.847600 -9.1939E+00 -1.3419E+01 -1.3207E+01 H1 3503 1.008000 0.423800 -9.9200E+00 -1.2735E+01 -1.3276E+01 H2 3504 1.008000 0.423800 -8.7357E+00 -1.3329E+01 -1.2322E+01 O6 3505 15.999400 -0.847600 8.6692E+00 -1.3272E+01 1.8192E+01 H1 3506 1.008000 0.423800 9.0473E+00 -1.3219E+01 1.7268E+01 H2 3507 1.008000 0.423800 9.2616E+00 -1.2772E+01 1.8824E+01 O6 3508 15.999400 -0.847600 -1.7729E+01 1.7353E+01 3.6268E+00 H1 3509 1.008000 0.423800 -1.7847E+01 1.6361E+01 3.5889E+00 H2 3510 1.008000 0.423800 -1.8365E+01 1.7789E+01 2.9899E+00 O6 3511 15.999400 -0.847600 -1.6790E+00 -1.0208E+01 2.4151E+00 H1 3512 1.008000 0.423800 -1.3410E+00 -9.4841E+00 3.0164E+00 H2 3513 1.008000 0.423800 -2.6735E+00 -1.0273E+01 2.4978E+00 O6 3514 15.999400 -0.847600 1.3165E+01 3.1386E-01 -3.4665E+00 H1 3515 1.008000 0.423800 1.3113E+01 7.7994E-01 -4.3498E+00 H2 3516 1.008000 0.423800 1.2547E+01 7.5869E-01 -2.8183E+00 O6 3517 15.999400 -0.847600 4.7364E+00 -1.2615E+00 -8.5836E+00 H1 3518 1.008000 0.423800 3.8130E+00 -8.7753E-01 -8.5766E+00 H2 3519 1.008000 0.423800 5.0178E+00 -1.4697E+00 -7.6469E+00 O6 3520 15.999400 -0.847600 1.8030E+01 -2.0807E+00 8.1478E+00 H1 3521 1.008000 0.423800 1.7724E+01 -2.7199E+00 8.8533E+00 H2 3522 1.008000 0.423800 1.7454E+01 -2.1789E+00 7.3364E+00 O6 3523 15.999400 -0.847600 -1.3153E+01 9.5950E+00 -1.7784E+01 H1 3524 1.008000 0.423800 -1.2340E+01 9.0137E+00 -1.7754E+01 H2 3525 1.008000 0.423800 -1.3953E+01 9.0375E+00 -1.8006E+01 O6 3526 15.999400 -0.847600 1.8798E+01 1.5510E+01 -1.3884E+01 H1 3527 1.008000 0.423800 1.9420E+01 1.6189E+01 -1.4275E+01 H2 3528 1.008000 0.423800 1.9325E+01 1.4731E+01 -1.3545E+01 O6 3529 15.999400 -0.847600 2.9417E+00 3.9671E+00 1.7979E+01 H1 3530 1.008000 0.423800 2.1864E+00 3.6892E+00 1.8572E+01 H2 3531 1.008000 0.423800 3.6089E+00 4.4887E+00 1.8511E+01 O6 3532 15.999400 -0.847600 6.8219E+00 -1.1546E+01 1.5027E+01 H1 3533 1.008000 0.423800 6.1992E+00 -1.1047E+01 1.5630E+01 H2 3534 1.008000 0.423800 7.7661E+00 -1.1378E+01 1.5311E+01 O6 3535 15.999400 -0.847600 -4.6647E+00 1.0773E+01 7.9711E+00 H1 3536 1.008000 0.423800 -5.1578E+00 9.9063E+00 8.0495E+00 H2 3537 1.008000 0.423800 -3.7751E+00 1.0612E+01 7.5434E+00 O6 3538 15.999400 -0.847600 -1.2652E+01 -8.2406E+00 -3.6989E+00 H1 3539 1.008000 0.423800 -1.2353E+01 -8.4658E+00 -2.7715E+00 H2 3540 1.008000 0.423800 -1.3142E+01 -7.3687E+00 -3.6888E+00 O6 3541 15.999400 -0.847600 1.1540E+01 4.1260E+00 3.0829E+00 H1 3542 1.008000 0.423800 1.2064E+01 3.3281E+00 3.3820E+00 H2 3543 1.008000 0.423800 1.2152E+01 4.9122E+00 2.9955E+00 O6 3544 15.999400 -0.847600 -4.6436E+00 1.6581E+01 -1.5204E+01 H1 3545 1.008000 0.423800 -3.9543E+00 1.7293E+01 -1.5337E+01 H2 3546 1.008000 0.423800 -5.4152E+00 1.6745E+01 -1.5818E+01 O6 3547 15.999400 -0.847600 1.2196E+01 1.7393E+01 8.2231E+00 H1 3548 1.008000 0.423800 1.2416E+01 1.8306E+01 7.8797E+00 H2 3549 1.008000 0.423800 1.1650E+01 1.7473E+01 9.0566E+00 O6 3550 15.999400 -0.847600 1.4084E-01 -1.1979E+01 3.6033E+00 H1 3551 1.008000 0.423800 -6.0149E-01 -1.1407E+01 3.2539E+00 H2 3552 1.008000 0.423800 8.8572E-01 -1.1396E+01 3.9282E+00 O6 3553 15.999400 -0.847600 -5.6207E+00 -1.7044E+01 1.5408E+01 H1 3554 1.008000 0.423800 -4.7414E+00 -1.7324E+01 1.5794E+01 H2 3555 1.008000 0.423800 -5.6174E+00 -1.7203E+01 1.4421E+01 O6 3556 15.999400 -0.847600 -2.1738E+00 -1.8271E+01 8.3284E+00 H1 3557 1.008000 0.423800 -1.5597E+00 -1.9008E+01 8.6113E+00 H2 3558 1.008000 0.423800 -1.6451E+00 -1.7550E+01 7.8814E+00 O6 3559 15.999400 -0.847600 1.6291E+01 -4.4860E+00 1.8543E+01 H1 3560 1.008000 0.423800 1.5957E+01 -3.8914E+00 1.9274E+01 H2 3561 1.008000 0.423800 1.5839E+01 -4.2449E+00 1.7684E+01 O6 3562 15.999400 -0.847600 -6.1178E+00 -2.7637E+00 -3.4196E+00 H1 3563 1.008000 0.423800 -5.6271E+00 -1.9044E+00 -3.2755E+00 H2 3564 1.008000 0.423800 -6.8600E+00 -2.8393E+00 -2.7537E+00 O6 3565 15.999400 -0.847600 -8.3192E+00 1.4417E+01 1.3263E+01 H1 3566 1.008000 0.423800 -8.3117E+00 1.4772E+01 1.4197E+01 H2 3567 1.008000 0.423800 -8.6401E+00 1.5129E+01 1.2638E+01 O6 3568 15.999400 -0.847600 9.5470E+00 2.5903E+00 -1.7506E+01 H1 3569 1.008000 0.423800 8.7899E+00 1.9373E+00 -1.7527E+01 H2 3570 1.008000 0.423800 1.0398E+01 2.1222E+00 -1.7744E+01 O6 3571 15.999400 -0.847600 -1.6266E+01 -7.9768E+00 -5.0358E+00 H1 3572 1.008000 0.423800 -1.5640E+01 -8.5094E+00 -5.6047E+00 H2 3573 1.008000 0.423800 -1.6343E+01 -8.4034E+00 -4.1345E+00 O6 3574 15.999400 -0.847600 -9.8394E+00 -7.2233E+00 -1.8706E+01 H1 3575 1.008000 0.423800 -9.2158E+00 -7.1515E+00 -1.9485E+01 H2 3576 1.008000 0.423800 -1.0710E+01 -6.7892E+00 -1.8936E+01 O6 3577 15.999400 -0.847600 -6.3306E+00 -1.0431E+01 7.3394E+00 H1 3578 1.008000 0.423800 -6.6764E+00 -1.1351E+01 7.5227E+00 H2 3579 1.008000 0.423800 -5.4107E+00 -1.0491E+01 6.9521E+00 O6 3580 15.999400 -0.847600 -6.6978E+00 1.2868E+00 -6.4682E-01 H1 3581 1.008000 0.423800 -7.4935E+00 1.5029E+00 -1.2126E+00 H2 3582 1.008000 0.423800 -6.8953E+00 1.5139E+00 3.0678E-01 O6 3583 15.999400 -0.847600 -1.1705E+01 1.4920E-01 -1.1601E+01 H1 3584 1.008000 0.423800 -1.0966E+01 -4.7228E-01 -1.1344E+01 H2 3585 1.008000 0.423800 -1.2191E+01 4.4799E-01 -1.0780E+01 O6 3586 15.999400 -0.847600 -3.5586E+00 3.7409E+00 -6.0111E+00 H1 3587 1.008000 0.423800 -2.5984E+00 4.0203E+00 -6.0114E+00 H2 3588 1.008000 0.423800 -3.7809E+00 3.3132E+00 -5.1350E+00 O6 3589 15.999400 -0.847600 9.1234E+00 2.5625E+00 8.0123E+00 H1 3590 1.008000 0.423800 9.9783E+00 2.2992E+00 8.4595E+00 H2 3591 1.008000 0.423800 8.9804E+00 3.5464E+00 8.1199E+00 O6 3592 15.999400 -0.847600 -1.8832E+01 -3.4651E+00 -1.6527E+01 H1 3593 1.008000 0.423800 -1.8329E+01 -4.1109E+00 -1.7101E+01 H2 3594 1.008000 0.423800 -1.9186E+01 -3.9410E+00 -1.5722E+01 O6 3595 15.999400 -0.847600 -1.1340E+01 -9.1440E+00 -1.4675E+00 H1 3596 1.008000 0.423800 -1.0968E+01 -9.9519E+00 -1.9247E+00 H2 3597 1.008000 0.423800 -1.1849E+01 -9.4261E+00 -6.5388E-01 O6 3598 15.999400 -0.847600 -1.0487E+01 1.6873E+01 -8.8592E+00 H1 3599 1.008000 0.423800 -1.0661E+01 1.7345E+01 -9.7233E+00 H2 3600 1.008000 0.423800 -1.0476E+01 1.7538E+01 -8.1123E+00 O6 3601 15.999400 -0.847600 1.8019E+01 1.1763E+01 -3.4847E+00 H1 3602 1.008000 0.423800 1.7581E+01 1.2650E+01 -3.6313E+00 H2 3603 1.008000 0.423800 1.8076E+01 1.1272E+01 -4.3539E+00 O6 3604 15.999400 -0.847600 1.8333E+01 1.6384E+01 -1.0833E+01 H1 3605 1.008000 0.423800 1.8484E+01 1.7338E+01 -1.1093E+01 H2 3606 1.008000 0.423800 1.8268E+01 1.5821E+01 -1.1657E+01 O6 3607 15.999400 -0.847600 1.0198E+01 -2.2052E+00 -1.2035E+01 H1 3608 1.008000 0.423800 1.0367E+01 -3.1373E+00 -1.2355E+01 H2 3609 1.008000 0.423800 1.0731E+01 -2.0353E+00 -1.1206E+01 O6 3610 15.999400 -0.847600 1.7012E+01 4.6519E+00 -2.1857E+00 H1 3611 1.008000 0.423800 1.7184E+01 3.9168E+00 -1.5300E+00 H2 3612 1.008000 0.423800 1.6060E+01 4.9484E+00 -2.1109E+00 O6 3613 15.999400 -0.847600 -1.3487E+01 8.4174E+00 2.6237E+00 H1 3614 1.008000 0.423800 -1.3621E+01 9.3959E+00 2.4675E+00 H2 3615 1.008000 0.423800 -1.2874E+01 8.2852E+00 3.4031E+00 O6 3616 15.999400 -0.847600 -7.7075E+00 1.4687E+01 -2.8662E-01 H1 3617 1.008000 0.423800 -7.8677E+00 1.4571E+01 -1.2669E+00 H2 3618 1.008000 0.423800 -7.7272E+00 1.5660E+01 -5.8553E-02 O6 3619 15.999400 -0.847600 -2.9851E+00 -1.8267E+01 -5.4285E+00 H1 3620 1.008000 0.423800 -3.0788E+00 -1.8894E+01 -6.2023E+00 H2 3621 1.008000 0.423800 -3.8916E+00 -1.7969E+01 -5.1297E+00 O6 3622 15.999400 -0.847600 -1.9026E+01 -1.5725E+01 1.2504E+01 H1 3623 1.008000 0.423800 -1.8734E+01 -1.5677E+01 1.3459E+01 H2 3624 1.008000 0.423800 1.9368E+01 -1.5035E+01 1.2336E+01 O6 3625 15.999400 -0.847600 9.0945E+00 -1.1179E+01 -1.3376E+01 H1 3626 1.008000 0.423800 9.3451E+00 -1.0211E+01 -1.3392E+01 H2 3627 1.008000 0.423800 8.0988E+00 -1.1266E+01 -1.3405E+01 O6 3628 15.999400 -0.847600 -8.8293E+00 -1.9193E+01 -8.0988E+00 H1 3629 1.008000 0.423800 -9.5572E+00 1.9470E+01 -7.5684E+00 H2 3630 1.008000 0.423800 -8.4986E+00 -1.8385E+01 -7.6113E+00 O6 3631 15.999400 -0.847600 1.6717E+01 -3.2203E+00 1.0455E+01 H1 3632 1.008000 0.423800 1.5826E+01 -3.6535E+00 1.0316E+01 H2 3633 1.008000 0.423800 1.6674E+01 -2.6188E+00 1.1253E+01 O6 3634 15.999400 -0.847600 1.5990E+01 1.0065E+01 1.0773E+01 H1 3635 1.008000 0.423800 1.5759E+01 1.0398E+01 9.8583E+00 H2 3636 1.008000 0.423800 1.5238E+01 1.0267E+01 1.1401E+01 O6 3637 15.999400 -0.847600 8.2172E+00 -9.0691E+00 1.7283E+01 H1 3638 1.008000 0.423800 7.2938E+00 -8.6897E+00 1.7225E+01 H2 3639 1.008000 0.423800 8.4829E+00 -9.4376E+00 1.6393E+01 O6 3640 15.999400 -0.847600 8.6247E+00 7.7710E-01 1.2886E+01 H1 3641 1.008000 0.423800 8.0690E+00 2.3121E-03 1.2585E+01 H2 3642 1.008000 0.423800 8.8705E+00 6.5656E-01 1.3848E+01 O6 3643 15.999400 -0.847600 1.0901E+01 1.0253E+01 -6.0089E+00 H1 3644 1.008000 0.423800 1.0861E+01 9.2642E+00 -6.1493E+00 H2 3645 1.008000 0.423800 1.1806E+01 1.0591E+01 -6.2693E+00 O6 3646 15.999400 -0.847600 8.7581E+00 -4.8178E+00 1.2501E+01 H1 3647 1.008000 0.423800 8.8838E+00 -4.0421E+00 1.3119E+01 H2 3648 1.008000 0.423800 7.7828E+00 -5.0217E+00 1.2416E+01 O6 3649 15.999400 -0.847600 1.8240E+01 1.4843E+01 2.4424E+00 H1 3650 1.008000 0.423800 1.8150E+01 1.4856E+01 1.4465E+00 H2 3651 1.008000 0.423800 1.9197E+01 1.4693E+01 2.6887E+00 O6 3652 15.999400 -0.847600 -7.6603E+00 -1.5357E+01 -1.9410E+01 H1 3653 1.008000 0.423800 -7.0117E+00 -1.6008E+01 1.9293E+01 H2 3654 1.008000 0.423800 -8.5851E+00 -1.5733E+01 -1.9465E+01 O6 3655 15.999400 -0.847600 -5.5161E+00 -1.5411E+01 -1.7143E+01 H1 3656 1.008000 0.423800 -4.8136E+00 -1.4708E+01 -1.7259E+01 H2 3657 1.008000 0.423800 -5.5049E+00 -1.6026E+01 -1.7932E+01 O6 3658 15.999400 -0.847600 1.7794E+01 1.7896E+01 5.5068E+00 H1 3659 1.008000 0.423800 1.7992E+01 1.8863E+01 5.6643E+00 H2 3660 1.008000 0.423800 1.7653E+01 1.7437E+01 6.3843E+00 O6 3661 15.999400 -0.847600 1.0455E+01 -1.8458E+01 1.4642E+01 H1 3662 1.008000 0.423800 9.7104E+00 -1.8438E+01 1.5310E+01 H2 3663 1.008000 0.423800 1.0970E+01 -1.9309E+01 1.4744E+01 O6 3664 15.999400 -0.847600 1.5992E+00 6.2048E+00 -1.0696E+01 H1 3665 1.008000 0.423800 2.3449E+00 6.6997E+00 -1.1142E+01 H2 3666 1.008000 0.423800 1.2383E+00 5.5123E+00 -1.1320E+01 O6 3667 15.999400 -0.847600 -1.3974E+01 -1.1749E+01 -1.9156E+01 H1 3668 1.008000 0.423800 -1.4217E+01 -1.2489E+01 1.9314E+01 H2 3669 1.008000 0.423800 -1.4465E+01 -1.1870E+01 -1.8293E+01 O6 3670 15.999400 -0.847600 6.8592E+00 6.9486E+00 1.6903E+01 H1 3671 1.008000 0.423800 6.1893E+00 7.6091E+00 1.7242E+01 H2 3672 1.008000 0.423800 6.3970E+00 6.0908E+00 1.6679E+01 O6 3673 15.999400 -0.847600 9.2222E+00 1.7613E+01 1.4573E+01 H1 3674 1.008000 0.423800 1.0171E+01 1.7420E+01 1.4824E+01 H2 3675 1.008000 0.423800 9.0518E+00 1.7293E+01 1.3642E+01 O6 3676 15.999400 -0.847600 1.6110E+01 4.8197E+00 2.7288E+00 H1 3677 1.008000 0.423800 1.6947E+01 4.4859E+00 2.2945E+00 H2 3678 1.008000 0.423800 1.6290E+01 5.0145E+00 3.6930E+00 O6 3679 15.999400 -0.847600 -1.4771E+01 -1.7141E+01 -1.4248E+01 H1 3680 1.008000 0.423800 -1.5458E+01 -1.6781E+01 -1.4879E+01 H2 3681 1.008000 0.423800 -1.3955E+01 -1.6565E+01 -1.4279E+01 O6 3682 15.999400 -0.847600 -1.7942E+01 -7.2453E+00 1.5031E+01 H1 3683 1.008000 0.423800 -1.8662E+01 -6.5849E+00 1.4820E+01 H2 3684 1.008000 0.423800 -1.7158E+01 -7.0879E+00 1.4430E+01 O6 3685 15.999400 -0.847600 -1.0061E+01 4.4925E+00 -8.5999E-01 H1 3686 1.008000 0.423800 -1.0250E+01 5.4693E+00 -9.6174E-01 H2 3687 1.008000 0.423800 -1.0078E+01 4.2489E+00 1.0972E-01 O6 3688 15.999400 -0.847600 -1.7624E+00 3.6340E+00 3.6995E+00 H1 3689 1.008000 0.423800 -1.5534E+00 2.6560E+00 3.6959E+00 H2 3690 1.008000 0.423800 -1.8336E+00 3.9630E+00 2.7578E+00 O6 3691 15.999400 -0.847600 -1.5268E+01 2.4790E+00 6.9899E+00 H1 3692 1.008000 0.423800 -1.4513E+01 2.6743E+00 7.6157E+00 H2 3693 1.008000 0.423800 -1.5500E+01 1.5076E+00 7.0402E+00 O6 3694 15.999400 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-1.4821E+01 1.5485E+01 1.0514E+01 H2 3711 1.008000 0.423800 -1.5246E+01 1.3908E+01 1.0498E+01 O6 3712 15.999400 -0.847600 6.8225E-01 -1.9199E+01 9.4020E+00 H1 3713 1.008000 0.423800 1.0698E+00 -1.8647E+01 1.0140E+01 H2 3714 1.008000 0.423800 1.1978E+00 -1.9039E+01 8.5603E+00 O6 3715 15.999400 -0.847600 -1.4652E+01 -1.9107E+01 9.8978E+00 H1 3716 1.008000 0.423800 -1.5495E+01 -1.9188E+01 9.3671E+00 H2 3717 1.008000 0.423800 -1.4785E+01 -1.9516E+01 1.0801E+01 O6 3718 15.999400 -0.847600 2.0504E+00 1.8739E+01 1.2582E+01 H1 3719 1.008000 0.423800 1.1378E+00 1.8611E+01 1.2194E+01 H2 3720 1.008000 0.423800 2.3615E+00 -1.9426E+01 1.2402E+01 O6 3721 15.999400 -0.847600 1.9193E+01 -1.7690E+01 -8.7607E+00 H1 3722 1.008000 0.423800 1.8672E+01 -1.7009E+01 -9.2760E+00 H2 3723 1.008000 0.423800 -1.8942E+01 -1.7419E+01 -8.7300E+00 O6 3724 15.999400 -0.847600 -2.9007E+00 -7.8343E+00 -2.4262E-01 H1 3725 1.008000 0.423800 -1.9836E+00 -7.5469E+00 -5.1896E-01 H2 3726 1.008000 0.423800 -3.3143E+00 -7.1251E+00 3.2825E-01 O6 3727 15.999400 -0.847600 -9.2135E-01 1.6230E+01 1.9297E+01 H1 3728 1.008000 0.423800 -1.7752E+00 1.6633E+01 1.8967E+01 H2 3729 1.008000 0.423800 -1.5398E-01 1.6816E+01 1.9036E+01 O6 3730 15.999400 -0.847600 1.1514E+00 5.6410E+00 -1.6365E+01 H1 3731 1.008000 0.423800 1.8530E+00 6.0725E+00 -1.6932E+01 H2 3732 1.008000 0.423800 5.9291E-01 6.3477E+00 -1.5930E+01 O6 3733 15.999400 -0.847600 -7.1362E+00 1.7237E+01 9.0600E+00 H1 3734 1.008000 0.423800 -6.2616E+00 1.7096E+01 9.5240E+00 H2 3735 1.008000 0.423800 -7.0432E+00 1.7975E+01 8.3913E+00 O6 3736 15.999400 -0.847600 6.1547E+00 7.9455E+00 1.1049E+01 H1 3737 1.008000 0.423800 7.1215E+00 7.8644E+00 1.1291E+01 H2 3738 1.008000 0.423800 5.7223E+00 7.0452E+00 1.1097E+01 O6 3739 15.999400 -0.847600 2.4808E+00 -2.0316E+00 3.1288E+00 H1 3740 1.008000 0.423800 2.9672E+00 -1.2107E+00 2.8296E+00 H2 3741 1.008000 0.423800 1.8778E+00 -2.3473E+00 2.3962E+00 O6 3742 15.999400 -0.847600 9.2619E+00 -1.7837E+01 2.5337E+00 H1 3743 1.008000 0.423800 9.7787E+00 -1.8308E+01 1.8184E+00 H2 3744 1.008000 0.423800 8.8156E+00 -1.8512E+01 3.1212E+00 O6 3745 15.999400 -0.847600 -1.6737E+01 -1.3240E+01 2.6130E+00 H1 3746 1.008000 0.423800 -1.6528E+01 -1.4210E+01 2.4853E+00 H2 3747 1.008000 0.423800 -1.6724E+01 -1.2777E+01 1.7271E+00 O6 3748 15.999400 -0.847600 1.1835E+01 -1.7443E+01 -1.3520E+01 H1 3749 1.008000 0.423800 1.1207E+01 -1.8127E+01 -1.3891E+01 H2 3750 1.008000 0.423800 1.1319E+01 -1.6767E+01 -1.2995E+01 O6 3751 15.999400 -0.847600 -4.0198E-01 -1.6279E+01 7.3287E+00 H1 3752 1.008000 0.423800 -6.4136E-01 -1.6359E+01 6.3611E+00 H2 3753 1.008000 0.423800 -3.9196E-01 -1.5314E+01 7.5910E+00 O6 3754 15.999400 -0.847600 6.8591E+00 1.6908E+00 -1.4695E+01 H1 3755 1.008000 0.423800 6.9368E+00 1.5042E+00 -1.5675E+01 H2 3756 1.008000 0.423800 7.7283E+00 2.0489E+00 -1.4354E+01 O6 3757 15.999400 -0.847600 -1.3069E+01 -8.5538E+00 1.4968E+01 H1 3758 1.008000 0.423800 -1.3037E+01 -9.5158E+00 1.4696E+01 H2 3759 1.008000 0.423800 -1.2722E+01 -7.9855E+00 1.4221E+01 O6 3760 15.999400 -0.847600 -1.4889E+01 -1.5228E+01 -8.1165E+00 H1 3761 1.008000 0.423800 -1.5722E+01 -1.5756E+01 -7.9492E+00 H2 3762 1.008000 0.423800 -1.4186E+01 -1.5497E+01 -7.4584E+00 O6 3763 15.999400 -0.847600 -1.0249E+01 -1.3898E+01 -7.1944E+00 H1 3764 1.008000 0.423800 -9.5074E+00 -1.3244E+01 -7.3442E+00 H2 3765 1.008000 0.423800 -1.1129E+01 -1.3431E+01 -7.2894E+00 O6 3766 15.999400 -0.847600 1.4766E+01 -2.2382E+00 -7.8017E+00 H1 3767 1.008000 0.423800 1.5074E+01 -3.0015E+00 -8.3697E+00 H2 3768 1.008000 0.423800 1.5548E+01 -1.8450E+00 -7.3189E+00 O6 3769 15.999400 -0.847600 -2.8583E+00 7.0194E+00 -1.9185E+00 H1 3770 1.008000 0.423800 -3.2410E+00 7.0091E+00 -9.9464E-01 H2 3771 1.008000 0.423800 -2.1544E+00 6.3133E+00 -1.9955E+00 O6 3772 15.999400 -0.847600 -1.1850E+01 -5.9390E+00 -1.6430E+01 H1 3773 1.008000 0.423800 -1.2390E+01 -5.7045E+00 -1.5622E+01 H2 3774 1.008000 0.423800 -1.1902E+01 -5.1929E+00 -1.7094E+01 O6 3775 15.999400 -0.847600 -1.3293E+01 8.0441E+00 -1.0981E+01 H1 3776 1.008000 0.423800 -1.3286E+01 8.8983E+00 -1.1501E+01 H2 3777 1.008000 0.423800 -1.2548E+01 7.4565E+00 -1.1296E+01 O6 3778 15.999400 -0.847600 2.3138E+00 -1.2224E+01 -1.9079E+01 H1 3779 1.008000 0.423800 1.3166E+00 -1.2152E+01 -1.9057E+01 H2 3780 1.008000 0.423800 2.6022E+00 -1.3019E+01 -1.8545E+01 O6 3781 15.999400 -0.847600 -6.5482E+00 -1.0680E+01 -7.2737E+00 H1 3782 1.008000 0.423800 -6.1635E+00 -1.0661E+01 -6.3508E+00 H2 3783 1.008000 0.423800 -6.0014E+00 -1.1286E+01 -7.8507E+00 O6 3784 15.999400 -0.847600 -1.0275E+01 -2.0505E+00 -8.0852E+00 H1 3785 1.008000 0.423800 -1.0373E+01 -2.3157E+00 -7.1261E+00 H2 3786 1.008000 0.423800 -1.0554E+01 -2.8107E+00 -8.6716E+00 O6 3787 15.999400 -0.847600 1.4793E+01 -1.8899E+01 -1.9146E+00 H1 3788 1.008000 0.423800 1.4287E+01 -1.9100E+01 -2.7535E+00 H2 3789 1.008000 0.423800 1.4860E+01 1.9369E+01 -1.3597E+00 O6 3790 15.999400 -0.847600 -8.2595E+00 1.1729E+01 1.4615E+01 H1 3791 1.008000 0.423800 -8.7419E+00 1.2095E+01 1.5411E+01 H2 3792 1.008000 0.423800 -7.3891E+00 1.2209E+01 1.4504E+01 O6 3793 15.999400 -0.847600 -9.4430E+00 -3.3859E+00 1.1428E+01 H1 3794 1.008000 0.423800 -1.0408E+01 -3.1246E+00 1.1396E+01 H2 3795 1.008000 0.423800 -9.2439E+00 -3.8174E+00 1.2308E+01 O6 3796 15.999400 -0.847600 4.6698E+00 5.4894E+00 -1.9423E+01 H1 3797 1.008000 0.423800 4.5738E+00 5.3947E+00 -1.8432E+01 H2 3798 1.008000 0.423800 4.6596E+00 6.4589E+00 1.9430E+01 O6 3799 15.999400 -0.847600 2.0900E+00 5.1574E+00 1.2612E+01 H1 3800 1.008000 0.423800 2.1168E+00 5.3257E+00 1.3598E+01 H2 3801 1.008000 0.423800 1.1630E+00 5.3161E+00 1.2272E+01 O6 3802 15.999400 -0.847600 1.6255E+01 -1.0307E+01 1.8855E+01 H1 3803 1.008000 0.423800 1.6702E+01 -9.8478E+00 1.8088E+01 H2 3804 1.008000 0.423800 1.6032E+01 -1.1247E+01 1.8597E+01 O6 3805 15.999400 -0.847600 3.3739E+00 8.6601E+00 1.5395E+00 H1 3806 1.008000 0.423800 3.5108E+00 8.9813E+00 2.4766E+00 H2 3807 1.008000 0.423800 3.8664E+00 9.2580E+00 9.0709E-01 O6 3808 15.999400 -0.847600 -1.1152E+01 -1.1756E+01 -1.6278E+01 H1 3809 1.008000 0.423800 -1.1048E+01 -1.1170E+01 -1.7082E+01 H2 3810 1.008000 0.423800 -1.2105E+01 -1.2051E+01 -1.6203E+01 O6 3811 15.999400 -0.847600 2.4099E+00 1.1873E+01 -8.6853E+00 H1 3812 1.008000 0.423800 2.6964E+00 1.0929E+01 -8.5234E+00 H2 3813 1.008000 0.423800 3.2175E+00 1.2451E+01 -8.8051E+00 O6 3814 15.999400 -0.847600 -1.8787E+01 -1.8477E+01 9.4960E+00 H1 3815 1.008000 0.423800 -1.8792E+01 -1.7667E+01 1.0083E+01 H2 3816 1.008000 0.423800 1.9431E+01 -1.8947E+01 9.5690E+00 O6 3817 15.999400 -0.847600 -9.7310E+00 -1.7796E+01 1.0173E+01 H1 3818 1.008000 0.423800 -1.0415E+01 -1.7072E+01 1.0080E+01 H2 3819 1.008000 0.423800 -8.9218E+00 -1.7561E+01 9.6346E+00 O6 3820 15.999400 -0.847600 -1.1557E+01 1.3786E+00 7.9726E+00 H1 3821 1.008000 0.423800 -1.1909E+01 5.3764E-01 8.3838E+00 H2 3822 1.008000 0.423800 -1.0811E+01 1.7369E+00 8.5334E+00 O6 3823 15.999400 -0.847600 -1.9534E+01 -3.2199E+00 1.5734E+01 H1 3824 1.008000 0.423800 -1.9404E+01 -3.3993E+00 1.6709E+01 H2 3825 1.008000 0.423800 -1.9061E+01 -2.3747E+00 1.5485E+01 O6 3826 15.999400 -0.847600 4.3060E+00 1.5029E+01 3.5570E+00 H1 3827 1.008000 0.423800 3.5310E+00 1.4397E+01 3.5399E+00 H2 3828 1.008000 0.423800 5.0295E+00 1.4685E+01 2.9585E+00 O6 3829 15.999400 -0.847600 -6.8834E+00 4.7626E+00 8.7105E+00 H1 3830 1.008000 0.423800 -6.9261E+00 3.9867E+00 9.3399E+00 H2 3831 1.008000 0.423800 -7.5680E+00 5.4427E+00 8.9728E+00 O6 3832 15.999400 -0.847600 -9.9759E+00 1.5560E+00 1.0623E+01 H1 3833 1.008000 0.423800 -9.9803E+00 2.2587E+00 1.1335E+01 H2 3834 1.008000 0.423800 -9.0709E+00 1.1331E+00 1.0578E+01 O6 3835 15.999400 -0.847600 2.6992E+00 -1.2110E+00 -1.1500E+01 H1 3836 1.008000 0.423800 3.3157E+00 -7.3597E-01 -1.2128E+01 H2 3837 1.008000 0.423800 2.4822E+00 -6.1196E-01 -1.0729E+01 O6 3838 15.999400 -0.847600 -1.7067E+01 1.0423E+01 -1.2037E+01 H1 3839 1.008000 0.423800 -1.7018E+01 1.1096E+01 -1.2775E+01 H2 3840 1.008000 0.423800 -1.6348E+01 1.0610E+01 -1.1367E+01 O6 3841 15.999400 -0.847600 -9.6661E+00 3.2627E+00 1.2810E+01 H1 3842 1.008000 0.423800 -1.0558E+01 3.6698E+00 1.3006E+01 H2 3843 1.008000 0.423800 -8.9431E+00 3.8982E+00 1.3080E+01 O6 3844 15.999400 -0.847600 6.2140E+00 1.2224E+01 -1.5954E+01 H1 3845 1.008000 0.423800 5.9686E+00 1.1939E+01 -1.5028E+01 H2 3846 1.008000 0.423800 6.8832E+00 1.2965E+01 -1.5909E+01 O6 3847 15.999400 -0.847600 1.4513E+01 -1.8766E+01 2.4215E+00 H1 3848 1.008000 0.423800 1.5402E+01 -1.8934E+01 2.8483E+00 H2 3849 1.008000 0.423800 1.3814E+01 -1.8676E+01 3.1311E+00 O6 3850 15.999400 -0.847600 9.8447E+00 1.7323E+01 -1.5422E+01 H1 3851 1.008000 0.423800 1.0822E+01 1.7327E+01 -1.5210E+01 H2 3852 1.008000 0.423800 9.7172E+00 1.7212E+01 -1.6407E+01 O6 3853 15.999400 -0.847600 -1.0830E+01 -1.4940E+01 1.0120E+01 H1 3854 1.008000 0.423800 -1.1207E+01 -1.4455E+01 1.0910E+01 H2 3855 1.008000 0.423800 -1.1368E+01 -1.4721E+01 9.3065E+00 O6 3856 15.999400 -0.847600 -7.5086E+00 2.4650E+00 1.6060E+00 H1 3857 1.008000 0.423800 -8.2143E+00 2.5414E+00 2.3105E+00 H2 3858 1.008000 0.423800 -7.1600E+00 3.3755E+00 1.3835E+00 O6 3859 15.999400 -0.847600 2.4629E+00 5.2333E-01 1.4715E+01 H1 3860 1.008000 0.423800 2.0700E+00 -2.5552E-01 1.5204E+01 H2 3861 1.008000 0.423800 2.2174E+00 4.6738E-01 1.3748E+01 O6 3862 15.999400 -0.847600 1.3807E+01 -1.8497E+01 1.6972E+01 H1 3863 1.008000 0.423800 1.3749E+01 -1.8778E+01 1.6014E+01 H2 3864 1.008000 0.423800 1.3066E+01 -1.7857E+01 1.7177E+01 O6 3865 15.999400 -0.847600 -7.6523E+00 -8.5637E+00 -1.1370E+01 H1 3866 1.008000 0.423800 -7.4386E+00 -7.9039E+00 -1.0650E+01 H2 3867 1.008000 0.423800 -7.5948E+00 -8.1140E+00 -1.2262E+01 O6 3868 15.999400 -0.847600 8.2996E+00 -1.4141E+01 -8.0130E+00 H1 3869 1.008000 0.423800 7.3766E+00 -1.4123E+01 -7.6287E+00 H2 3870 1.008000 0.423800 8.9329E+00 -1.3695E+01 -7.3806E+00 O6 3871 15.999400 -0.847600 1.9523E+01 1.4566E+01 -3.0810E+00 H1 3872 1.008000 0.423800 -1.8943E+01 1.4999E+01 -3.7245E+00 H2 3873 1.008000 0.423800 1.8582E+01 1.4747E+01 -3.3652E+00 O6 3874 15.999400 -0.847600 1.7655E+01 -5.2956E+00 -6.6391E+00 H1 3875 1.008000 0.423800 1.7061E+01 -4.8199E+00 -5.9896E+00 H2 3876 1.008000 0.423800 1.8611E+01 -5.1163E+00 -6.4097E+00 O6 3877 15.999400 -0.847600 4.7193E+00 5.6951E+00 3.8593E+00 H1 3878 1.008000 0.423800 4.4536E+00 6.0971E+00 4.7355E+00 H2 3879 1.008000 0.423800 5.6992E+00 5.8308E+00 3.7137E+00 O6 3880 15.999400 -0.847600 -1.1997E+01 3.4015E+00 -5.4398E+00 H1 3881 1.008000 0.423800 -1.2000E+01 4.3683E+00 -5.6956E+00 H2 3882 1.008000 0.423800 -1.2522E+01 3.2779E+00 -4.5980E+00 O6 3883 15.999400 -0.847600 -1.7775E+00 6.0487E+00 4.9543E+00 H1 3884 1.008000 0.423800 -1.7444E+00 5.1325E+00 4.5548E+00 H2 3885 1.008000 0.423800 -1.5399E+00 6.7250E+00 4.2570E+00 O6 3886 15.999400 -0.847600 6.4216E+00 -1.6448E+01 -1.7983E+01 H1 3887 1.008000 0.423800 6.8176E+00 -1.6825E+01 -1.7146E+01 H2 3888 1.008000 0.423800 5.9390E+00 -1.7170E+01 -1.8478E+01 O6 3889 15.999400 -0.847600 -1.0958E+01 1.2136E+01 -9.2492E+00 H1 3890 1.008000 0.423800 -1.0822E+01 1.1565E+01 -8.4393E+00 H2 3891 1.008000 0.423800 -1.0298E+01 1.2887E+01 -9.2426E+00 O6 3892 15.999400 -0.847600 1.1716E+01 -1.0436E+01 7.4613E+00 H1 3893 1.008000 0.423800 1.1155E+01 -9.7941E+00 6.9387E+00 H2 3894 1.008000 0.423800 1.1184E+01 -1.1258E+01 7.6611E+00 O6 3895 15.999400 -0.847600 1.7817E+01 8.4915E+00 -7.4394E+00 H1 3896 1.008000 0.423800 1.6980E+01 8.1345E+00 -7.8531E+00 H2 3897 1.008000 0.423800 1.8353E+01 7.7344E+00 -7.0659E+00 O6 3898 15.999400 -0.847600 1.4002E+01 1.7833E+00 -1.3326E+01 H1 3899 1.008000 0.423800 1.3210E+01 1.8005E+00 -1.3936E+01 H2 3900 1.008000 0.423800 1.3793E+01 1.2244E+00 -1.2524E+01 O6 3901 15.999400 -0.847600 1.0665E+00 -3.9570E+00 -2.6957E+00 H1 3902 1.008000 0.423800 1.0274E+00 -4.7164E+00 -2.0462E+00 H2 3903 1.008000 0.423800 1.5122E+00 -4.2612E+00 -3.5376E+00 O6 3904 15.999400 -0.847600 -1.4077E+01 1.0108E+01 -1.5328E+01 H1 3905 1.008000 0.423800 -1.3608E+01 1.0170E+01 -1.6209E+01 H2 3906 1.008000 0.423800 -1.3971E+01 1.0970E+01 -1.4833E+01 O6 3907 15.999400 -0.847600 -1.7513E+01 9.5340E+00 7.0508E+00 H1 3908 1.008000 0.423800 -1.7383E+01 9.8615E+00 6.1149E+00 H2 3909 1.008000 0.423800 -1.7378E+01 8.5436E+00 7.0791E+00 O6 3910 15.999400 -0.847600 4.5988E+00 -1.1533E+01 -3.3703E+00 H1 3911 1.008000 0.423800 4.4184E+00 -1.1533E+01 -2.3867E+00 H2 3912 1.008000 0.423800 4.9548E+00 -1.0639E+01 -3.6436E+00 O6 3913 15.999400 -0.847600 -2.5380E+00 1.6547E+01 -8.7539E+00 H1 3914 1.008000 0.423800 -2.6313E+00 1.7541E+01 -8.8046E+00 H2 3915 1.008000 0.423800 -2.6988E+00 1.6150E+01 -9.6578E+00 O6 3916 15.999400 -0.847600 -8.1625E-01 8.8376E+00 1.0249E+01 H1 3917 1.008000 0.423800 -1.8106E+00 8.8800E+00 1.0151E+01 H2 3918 1.008000 0.423800 -3.9209E-01 9.4986E+00 9.6301E+00 O6 3919 15.999400 -0.847600 -1.2968E+01 -9.6842E+00 -1.5071E+01 H1 3920 1.008000 0.423800 -1.2884E+01 -9.3481E+00 -1.4133E+01 H2 3921 1.008000 0.423800 -1.3356E+01 -1.0606E+01 -1.5061E+01 O6 3922 15.999400 -0.847600 -1.7741E+01 -5.9556E+00 -3.1102E+00 H1 3923 1.008000 0.423800 -1.7052E+01 -5.7873E+00 -2.4057E+00 H2 3924 1.008000 0.423800 -1.7353E+01 -6.5380E+00 -3.8243E+00 O6 3925 15.999400 -0.847600 -1.0413E+01 -1.0528E+01 6.9211E+00 H1 3926 1.008000 0.423800 -1.0494E+01 -9.6816E+00 6.3949E+00 H2 3927 1.008000 0.423800 -1.0298E+01 -1.1300E+01 6.2955E+00 O6 3928 15.999400 -0.847600 -1.8292E+01 4.1620E+00 -4.4370E+00 H1 3929 1.008000 0.423800 -1.7726E+01 4.4817E+00 -5.1972E+00 H2 3930 1.008000 0.423800 -1.8366E+01 4.8848E+00 -3.7500E+00 O6 3931 15.999400 -0.847600 6.1235E+00 5.6178E+00 -3.0272E+00 H1 3932 1.008000 0.423800 5.4463E+00 4.9361E+00 -2.7505E+00 H2 3933 1.008000 0.423800 6.0459E+00 5.7848E+00 -4.0101E+00 O6 3934 15.999400 -0.847600 -1.9071E+01 -9.0659E-02 -5.0880E+00 H1 3935 1.008000 0.423800 1.9096E+01 2.0639E-01 -4.8763E+00 H2 3936 1.008000 0.423800 -1.8469E+01 1.2470E-01 -4.3187E+00 O6 3937 15.999400 -0.847600 -4.0514E+00 -3.8829E+00 1.2544E+01 H1 3938 1.008000 0.423800 -4.8615E+00 -3.7183E+00 1.3106E+01 H2 3939 1.008000 0.423800 -3.2507E+00 -3.9843E+00 1.3134E+01 O6 3940 15.999400 -0.847600 -1.5487E+01 -9.3215E+00 -1.6781E+01 H1 3941 1.008000 0.423800 -1.5943E+01 -8.7845E+00 -1.6071E+01 H2 3942 1.008000 0.423800 -1.4497E+01 -9.2037E+00 -1.6703E+01 O6 3943 15.999400 -0.847600 -1.6155E+01 -1.0796E+01 8.6330E+00 H1 3944 1.008000 0.423800 -1.5750E+01 -1.0933E+01 7.7286E+00 H2 3945 1.008000 0.423800 -1.6025E+01 -1.1621E+01 9.1838E+00 O6 3946 15.999400 -0.847600 -1.6637E+01 1.2578E+01 6.0113E+00 H1 3947 1.008000 0.423800 -1.7628E+01 1.2489E+01 6.1095E+00 H2 3948 1.008000 0.423800 -1.6311E+01 1.1933E+01 5.3200E+00 O6 3949 15.999400 -0.847600 8.5267E+00 1.6346E+01 8.2141E+00 H1 3950 1.008000 0.423800 7.5927E+00 1.6025E+01 8.3704E+00 H2 3951 1.008000 0.423800 8.9463E+00 1.5808E+01 7.4833E+00 O6 3952 15.999400 -0.847600 1.8643E+01 -5.4613E+00 3.0122E+00 H1 3953 1.008000 0.423800 1.8684E+01 -5.6530E+00 2.0316E+00 H2 3954 1.008000 0.423800 1.8085E+01 -4.6462E+00 3.1695E+00 O6 3955 15.999400 -0.847600 -1.3139E+01 -1.2349E+01 -1.9712E-01 H1 3956 1.008000 0.423800 -1.2907E+01 -1.1416E+01 7.6677E-02 H2 3957 1.008000 0.423800 -1.3587E+01 -1.2333E+01 -1.0911E+00 O6 3958 15.999400 -0.847600 -1.3552E+01 1.3416E+01 1.2873E+01 H1 3959 1.008000 0.423800 -1.2904E+01 1.3628E+01 1.3605E+01 H2 3960 1.008000 0.423800 -1.4277E+01 1.2828E+01 1.3232E+01 O6 3961 15.999400 -0.847600 1.5765E+01 -1.6878E+01 -1.7879E+01 H1 3962 1.008000 0.423800 1.5598E+01 -1.6877E+01 -1.6893E+01 H2 3963 1.008000 0.423800 1.4902E+01 -1.6738E+01 -1.8363E+01 O6 3964 15.999400 -0.847600 -3.4602E+00 9.6576E+00 -1.1330E+01 H1 3965 1.008000 0.423800 -3.4937E+00 9.6575E+00 -1.2330E+01 H2 3966 1.008000 0.423800 -2.9726E+00 8.8441E+00 -1.1013E+01 O6 3967 15.999400 -0.847600 1.5981E+01 -1.5936E+01 8.6684E+00 H1 3968 1.008000 0.423800 1.6086E+01 -1.6490E+01 9.4946E+00 H2 3969 1.008000 0.423800 1.5957E+01 -1.4968E+01 8.9171E+00 O6 3970 15.999400 -0.847600 2.0754E-01 -1.6125E+00 -1.4680E+01 H1 3971 1.008000 0.423800 -1.6646E-01 -1.5767E+00 -1.3753E+01 H2 3972 1.008000 0.423800 6.5949E-01 -2.4929E+00 -1.4823E+01 O6 3973 15.999400 -0.847600 8.8279E+00 -1.5363E+01 -1.8881E+01 H1 3974 1.008000 0.423800 8.9639E+00 -1.4598E+01 -1.9510E+01 H2 3975 1.008000 0.423800 7.8999E+00 -1.5720E+01 -1.8987E+01 O6 3976 15.999400 -0.847600 5.4118E-01 1.2683E+01 -1.0632E+01 H1 3977 1.008000 0.423800 -4.0044E-01 1.2421E+01 -1.0421E+01 H2 3978 1.008000 0.423800 1.1385E+00 1.2420E+01 -9.8748E+00 O6 3979 15.999400 -0.847600 2.7415E+00 -1.2222E+01 -1.0082E-01 H1 3980 1.008000 0.423800 3.6231E+00 -1.1751E+01 -1.3244E-01 H2 3981 1.008000 0.423800 2.6456E+00 -1.2804E+01 -9.0810E-01 O6 3982 15.999400 -0.847600 3.5792E+00 -5.7187E+00 -3.7017E+00 H1 3983 1.008000 0.423800 3.9078E+00 -6.4424E+00 -3.0947E+00 H2 3984 1.008000 0.423800 3.2285E+00 -6.1252E+00 -4.5454E+00 O6 3985 15.999400 -0.847600 1.8534E+01 -1.4541E+01 -1.1722E+01 H1 3986 1.008000 0.423800 1.8187E+01 -1.3607E+01 -1.1635E+01 H2 3987 1.008000 0.423800 1.8300E+01 -1.5062E+01 -1.0902E+01 O6 3988 15.999400 -0.847600 -4.6841E+00 2.7229E+00 3.1120E+00 H1 3989 1.008000 0.423800 -4.1057E+00 3.0128E+00 3.8746E+00 H2 3990 1.008000 0.423800 -4.1204E+00 2.5949E+00 2.2960E+00 O6 3991 15.999400 -0.847600 -5.4427E+00 1.9535E+01 -6.8773E+00 H1 3992 1.008000 0.423800 -5.8897E+00 1.8744E+01 -6.4580E+00 H2 3993 1.008000 0.423800 -5.9376E+00 -1.8730E+01 -6.6298E+00 O6 3994 15.999400 -0.847600 1.0105E+01 -3.2300E+00 -4.7162E+00 H1 3995 1.008000 0.423800 9.1401E+00 -3.3124E+00 -4.9655E+00 H2 3996 1.008000 0.423800 1.0660E+01 -3.1719E+00 -5.5462E+00 O6 3997 15.999400 -0.847600 3.8226E+00 2.5249E-01 2.3134E+00 H1 3998 1.008000 0.423800 4.7486E+00 -1.0061E-01 2.4473E+00 H2 3999 1.008000 0.423800 3.8469E+00 1.2519E+00 2.2919E+00 O6 4000 15.999400 -0.847600 1.3144E+01 7.7390E+00 1.3586E+01 H1 4001 1.008000 0.423800 1.4085E+01 7.5021E+00 1.3827E+01 H2 4002 1.008000 0.423800 1.2544E+01 6.9648E+00 1.3786E+01 O6 4003 15.999400 -0.847600 1.1414E+01 -6.5188E+00 1.3691E+01 H1 4004 1.008000 0.423800 1.1242E+01 -6.3761E+00 1.4665E+01 H2 4005 1.008000 0.423800 1.1594E+01 -5.6385E+00 1.3252E+01 O6 4006 15.999400 -0.847600 -1.6533E+01 -1.8168E+01 3.8041E+00 H1 4007 1.008000 0.423800 -1.6669E+01 -1.7714E+01 4.6848E+00 H2 4008 1.008000 0.423800 -1.6126E+01 -1.9069E+01 3.9532E+00 O6 4009 15.999400 -0.847600 -6.0793E+00 -5.6987E+00 9.9643E+00 H1 4010 1.008000 0.423800 -5.1897E+00 -5.2446E+00 9.9155E+00 H2 4011 1.008000 0.423800 -6.0877E+00 -6.4829E+00 9.3439E+00 O6 4012 15.999400 -0.847600 1.7249E+01 -2.0087E+00 -1.1032E+01 H1 4013 1.008000 0.423800 1.6686E+01 -1.2022E+00 -1.0854E+01 H2 4014 1.008000 0.423800 1.6741E+01 -2.6506E+00 -1.1606E+01 O6 4015 15.999400 -0.847600 -9.3946E+00 -1.7671E+01 1.3008E+01 H1 4016 1.008000 0.423800 -9.5797E+00 -1.7656E+01 1.2026E+01 H2 4017 1.008000 0.423800 -8.9299E+00 -1.8524E+01 1.3247E+01 O6 4018 15.999400 -0.847600 1.8959E+01 3.5283E+00 -6.6755E+00 H1 4019 1.008000 0.423800 1.8727E+01 3.1785E+00 -5.7679E+00 H2 4020 1.008000 0.423800 1.9003E+01 4.5269E+00 -6.6468E+00 O6 4021 15.999400 -0.847600 -1.8434E+01 -1.5751E+01 -1.2917E+01 H1 4022 1.008000 0.423800 -1.9226E+01 -1.5386E+01 -1.2428E+01 H2 4023 1.008000 0.423800 -1.8599E+01 -1.5701E+01 -1.3902E+01 O6 4024 15.999400 -0.847600 1.4910E+01 -1.7155E+01 1.5575E-01 H1 4025 1.008000 0.423800 1.4804E+01 -1.7677E+01 -6.9106E-01 H2 4026 1.008000 0.423800 1.4761E+01 -1.7759E+01 9.3926E-01 O6 4027 15.999400 -0.847600 -1.7356E+01 -1.2982E+01 1.8385E+01 H1 4028 1.008000 0.423800 -1.7375E+01 -1.2766E+01 1.7409E+01 H2 4029 1.008000 0.423800 -1.6408E+01 -1.3097E+01 1.8683E+01 O6 4030 15.999400 -0.847600 1.3707E+01 -1.3555E+01 -1.2372E+01 H1 4031 1.008000 0.423800 1.3612E+01 -1.4511E+01 -1.2651E+01 H2 4032 1.008000 0.423800 1.2969E+01 -1.3015E+01 -1.2777E+01 O6 4033 15.999400 -0.847600 -1.6638E+01 -5.2082E+00 -8.0012E+00 H1 4034 1.008000 0.423800 -1.6623E+01 -6.1901E+00 -8.1900E+00 H2 4035 1.008000 0.423800 -1.6710E+01 -4.7044E+00 -8.8621E+00 O6 4036 15.999400 -0.847600 1.7377E+01 -2.4975E+00 5.4325E+00 H1 4037 1.008000 0.423800 1.8310E+01 -2.7151E+00 5.7184E+00 H2 4038 1.008000 0.423800 1.7300E+01 -2.5992E+00 4.4407E+00 O6 4039 15.999400 -0.847600 -1.3068E+01 -1.9302E+01 5.4857E+00 H1 4040 1.008000 0.423800 -1.3886E+01 1.9392E+01 5.0758E+00 H2 4041 1.008000 0.423800 -1.2427E+01 1.9069E+01 5.7353E+00 O6 4042 15.999400 -0.847600 -1.5267E+00 -6.9582E+00 -3.5600E+00 H1 4043 1.008000 0.423800 -1.1452E+00 -6.3261E+00 -4.2346E+00 H2 4044 1.008000 0.423800 -2.5133E+00 -6.8126E+00 -3.4874E+00 O6 4045 15.999400 -0.847600 1.9282E+01 9.6184E+00 -1.1454E+01 H1 4046 1.008000 0.423800 1.9226E+01 9.5495E+00 -1.0457E+01 H2 4047 1.008000 0.423800 -1.8955E+01 1.0058E+01 -1.1709E+01 O6 4048 15.999400 -0.847600 1.6128E+01 1.6558E+01 1.4943E+01 H1 4049 1.008000 0.423800 1.5219E+01 1.6650E+01 1.5349E+01 H2 4050 1.008000 0.423800 1.6040E+01 1.6244E+01 1.3998E+01 O6 4051 15.999400 -0.847600 -1.2086E+01 -6.1020E+00 1.6807E+01 H1 4052 1.008000 0.423800 -1.2927E+01 -6.6360E+00 1.6888E+01 H2 4053 1.008000 0.423800 -1.1328E+01 -6.7089E+00 1.6568E+01 O6 4054 15.999400 -0.847600 1.1515E+01 1.6370E+01 1.2989E+01 H1 4055 1.008000 0.423800 1.0964E+01 1.6790E+01 1.2267E+01 H2 4056 1.008000 0.423800 1.1742E+01 1.5431E+01 1.2732E+01 O6 4057 15.999400 -0.847600 -6.0764E+00 6.7428E+00 1.8209E+01 H1 4058 1.008000 0.423800 -5.1790E+00 7.1496E+00 1.8380E+01 H2 4059 1.008000 0.423800 -6.1717E+00 6.5435E+00 1.7234E+01 O6 4060 15.999400 -0.847600 1.8708E+01 1.3039E+01 1.3780E+01 H1 4061 1.008000 0.423800 1.8795E+01 1.3993E+01 1.3493E+01 H2 4062 1.008000 0.423800 -1.9535E+01 1.2740E+01 1.4204E+01 O6 4063 15.999400 -0.847600 -8.6796E+00 1.4547E+01 4.7273E+00 H1 4064 1.008000 0.423800 -8.1365E+00 1.4293E+01 5.5276E+00 H2 4065 1.008000 0.423800 -8.0840E+00 1.4609E+01 3.9264E+00 O6 4066 15.999400 -0.847600 -1.5787E+01 1.1234E+01 8.9491E+00 H1 4067 1.008000 0.423800 -1.6284E+01 1.2022E+01 9.3132E+00 H2 4068 1.008000 0.423800 -1.6184E+01 1.0967E+01 8.0709E+00 O6 4069 15.999400 -0.847600 -6.4655E+00 1.9508E+01 -1.6507E+01 H1 4070 1.008000 0.423800 -5.6287E+00 1.9400E+01 -1.7044E+01 H2 4071 1.008000 0.423800 -7.0058E+00 -1.8835E+01 -1.6881E+01 O6 4072 15.999400 -0.847600 5.4309E+00 -1.6628E+01 -1.3738E+01 H1 4073 1.008000 0.423800 5.4840E+00 -1.6091E+01 -1.2896E+01 H2 4074 1.008000 0.423800 4.5990E+00 -1.6384E+01 -1.4236E+01 O6 4075 15.999400 -0.847600 -1.0063E+01 1.4586E+00 -1.8150E+01 H1 4076 1.008000 0.423800 -1.0009E+01 2.4146E+00 -1.8438E+01 H2 4077 1.008000 0.423800 -1.0181E+01 1.4161E+00 -1.7158E+01 O6 4078 15.999400 -0.847600 -6.9194E-01 -5.8058E+00 1.2443E+01 H1 4079 1.008000 0.423800 -1.0658E+00 -5.1627E+00 1.3112E+01 H2 4080 1.008000 0.423800 -7.3838E-01 -6.7342E+00 1.2812E+01 O6 4081 15.999400 -0.847600 -7.5388E-01 -1.8930E+01 -1.6696E+01 H1 4082 1.008000 0.423800 -8.3546E-02 -1.9536E+01 -1.7125E+01 H2 4083 1.008000 0.423800 -2.9428E-01 -1.8342E+01 -1.6031E+01 O6 4084 15.999400 -0.847600 1.7344E+01 5.3690E+00 5.1849E+00 H1 4085 1.008000 0.423800 1.7848E+01 6.1532E+00 4.8223E+00 H2 4086 1.008000 0.423800 1.7100E+01 5.5420E+00 6.1391E+00 O6 4087 15.999400 -0.847600 -7.8303E+00 1.9240E+01 1.0897E+01 H1 4088 1.008000 0.423800 -7.9007E+00 1.8421E+01 1.0328E+01 H2 4089 1.008000 0.423800 -8.5493E+00 -1.9211E+01 1.0642E+01 O6 4090 15.999400 -0.847600 -1.8942E+01 1.4188E+00 -7.6554E+00 H1 4091 1.008000 0.423800 -1.8947E+01 7.6068E-01 -6.9025E+00 H2 4092 1.008000 0.423800 -1.9486E+01 2.2185E+00 -7.4030E+00 O6 4093 15.999400 -0.847600 -1.0645E+01 -1.1556E+01 1.2768E+01 H1 4094 1.008000 0.423800 -9.8167E+00 -1.2048E+01 1.2498E+01 H2 4095 1.008000 0.423800 -1.0548E+01 -1.1233E+01 1.3709E+01 O6 4096 15.999400 -0.847600 -2.5528E+00 4.3331E+00 1.3173E+01 H1 4097 1.008000 0.423800 -1.8035E+00 3.9621E+00 1.3721E+01 H2 4098 1.008000 0.423800 -2.8324E+00 5.2179E+00 1.3546E+01 O6 4099 15.999400 -0.847600 -1.3438E+01 3.3177E+00 8.9492E+00 H1 4100 1.008000 0.423800 -1.2832E+01 2.6798E+00 8.4737E+00 H2 4101 1.008000 0.423800 -1.3306E+01 3.2303E+00 9.9364E+00 O6 4102 15.999400 -0.847600 2.0830E-01 -1.7628E+01 1.2264E+01 H1 4103 1.008000 0.423800 1.1122E+00 -1.7607E+01 1.1837E+01 H2 4104 1.008000 0.423800 -3.8639E-01 -1.6958E+01 1.1819E+01 O6 4105 15.999400 -0.847600 1.0824E+01 -2.5180E+00 7.7222E-01 H1 4106 1.008000 0.423800 1.1332E+01 -3.3424E+00 5.2225E-01 H2 4107 1.008000 0.423800 9.8438E+00 -2.6868E+00 6.7030E-01 O6 4108 15.999400 -0.847600 -1.4546E+01 5.6071E-01 1.6428E+01 H1 4109 1.008000 0.423800 -1.5505E+01 8.1447E-01 1.6300E+01 H2 4110 1.008000 0.423800 -1.4054E+01 1.3193E+00 1.6856E+01 O6 4111 15.999400 -0.847600 1.3366E+01 -8.5821E+00 1.2459E+01 H1 4112 1.008000 0.423800 1.2569E+01 -8.0185E+00 1.2674E+01 H2 4113 1.008000 0.423800 1.3339E+01 -9.4194E+00 1.3005E+01 O6 4114 15.999400 -0.847600 -4.8028E+00 -5.2566E+00 1.7666E+01 H1 4115 1.008000 0.423800 -5.4128E+00 -5.8262E+00 1.7115E+01 H2 4116 1.008000 0.423800 -5.1410E+00 -5.2187E+00 1.8606E+01 O6 4117 15.999400 -0.847600 -6.3139E+00 1.1004E+01 1.0355E+01 H1 4118 1.008000 0.423800 -7.0047E+00 1.1724E+01 1.0285E+01 H2 4119 1.008000 0.423800 -5.8753E+00 1.0876E+01 9.4656E+00 O6 4120 15.999400 -0.847600 7.9937E+00 1.0409E+01 -6.1005E+00 H1 4121 1.008000 0.423800 7.6601E+00 1.0226E+01 -7.0254E+00 H2 4122 1.008000 0.423800 8.9173E+00 1.0789E+01 -6.1484E+00 O6 4123 15.999400 -0.847600 4.4784E+00 2.5324E+00 5.1124E+00 H1 4124 1.008000 0.423800 4.2545E+00 2.9817E+00 5.9773E+00 H2 4125 1.008000 0.423800 3.9584E+00 2.9576E+00 4.3715E+00 O6 4126 15.999400 -0.847600 -1.9536E+01 5.1673E+00 8.8849E+00 H1 4127 1.008000 0.423800 -1.8843E+01 5.7888E+00 9.2497E+00 H2 4128 1.008000 0.423800 -1.9110E+01 4.5348E+00 8.2383E+00 O6 4129 15.999400 -0.847600 -1.8424E+00 -1.9317E+01 1.3900E+01 H1 4130 1.008000 0.423800 -1.2249E+00 1.9289E+01 1.4514E+01 H2 4131 1.008000 0.423800 -1.4159E+00 -1.8458E+01 1.3616E+01 O6 4132 15.999400 -0.847600 1.5115E+01 9.9536E+00 5.7927E+00 H1 4133 1.008000 0.423800 1.5944E+01 9.5286E+00 6.1568E+00 H2 4134 1.008000 0.423800 1.4623E+01 9.2928E+00 5.2259E+00 O6 4135 15.999400 -0.847600 5.5812E+00 -1.3497E+01 -6.8093E+00 H1 4136 1.008000 0.423800 5.0458E+00 -1.4326E+01 -6.6459E+00 H2 4137 1.008000 0.423800 5.3147E+00 -1.3096E+01 -7.6854E+00 O6 4138 15.999400 -0.847600 1.1452E+01 -1.7204E+01 1.1111E+01 H1 4139 1.008000 0.423800 1.1692E+01 -1.6379E+01 1.1623E+01 H2 4140 1.008000 0.423800 1.2284E+01 -1.7712E+01 1.0888E+01 O6 4141 15.999400 -0.847600 1.6274E+00 1.3286E+01 1.8257E+01 H1 4142 1.008000 0.423800 1.6230E+00 1.3500E+01 1.7280E+01 H2 4143 1.008000 0.423800 2.1822E+00 1.3961E+01 1.8744E+01 O6 4144 15.999400 -0.847600 -1.2678E+01 -1.1098E+01 9.2580E+00 H1 4145 1.008000 0.423800 -1.1885E+01 -1.0488E+01 9.2735E+00 H2 4146 1.008000 0.423800 -1.3242E+01 -1.0891E+01 8.4582E+00 O6 4147 15.999400 -0.847600 1.3089E+00 1.4758E+01 1.3154E+01 H1 4148 1.008000 0.423800 3.8850E-01 1.5122E+01 1.3297E+01 H2 4149 1.008000 0.423800 1.4443E+00 1.4569E+01 1.2181E+01 O6 4150 15.999400 -0.847600 1.3986E+01 -1.0426E+01 6.1376E+00 H1 4151 1.008000 0.423800 1.3056E+01 -1.0322E+01 6.4904E+00 H2 4152 1.008000 0.423800 1.4584E+01 -9.7510E+00 6.5695E+00 O6 4153 15.999400 -0.847600 3.4210E-01 -3.5191E+00 1.6213E+00 H1 4154 1.008000 0.423800 8.2037E-01 -4.3849E+00 1.4741E+00 H2 4155 1.008000 0.423800 7.0243E-02 -3.1343E+00 7.3923E-01 O6 4156 15.999400 -0.847600 -1.5890E+01 1.9618E+00 1.3015E+01 H1 4157 1.008000 0.423800 -1.6234E+01 1.0270E+00 1.3100E+01 H2 4158 1.008000 0.423800 -1.6619E+01 2.5570E+00 1.2679E+01 O6 4159 15.999400 -0.847600 9.8770E+00 1.1590E+01 1.6686E+01 H1 4160 1.008000 0.423800 9.0258E+00 1.1251E+01 1.7088E+01 H2 4161 1.008000 0.423800 1.0423E+01 1.0817E+01 1.6363E+01 O6 4162 15.999400 -0.847600 1.5842E+01 -4.3611E+00 -9.2250E+00 H1 4163 1.008000 0.423800 1.6051E+01 -5.1970E+00 -9.7326E+00 H2 4164 1.008000 0.423800 1.6644E+01 -4.0829E+00 -8.6966E+00 O6 4165 15.999400 -0.847600 5.1851E+00 2.8958E+00 -1.0132E+01 H1 4166 1.008000 0.423800 5.7193E+00 3.7365E+00 -1.0042E+01 H2 4167 1.008000 0.423800 5.0560E+00 2.4857E+00 -9.2287E+00 O6 4168 15.999400 -0.847600 8.9140E+00 8.1509E-01 1.5678E+01 H1 4169 1.008000 0.423800 9.8377E+00 5.7752E-01 1.5978E+01 H2 4170 1.008000 0.423800 8.6470E+00 1.6903E+00 1.6081E+01 O6 4171 15.999400 -0.847600 1.4593E+01 -1.3972E+01 -9.2783E+00 H1 4172 1.008000 0.423800 1.4311E+01 -1.4013E+01 -1.0237E+01 H2 4173 1.008000 0.423800 1.5554E+01 -1.3701E+01 -9.2255E+00 O6 4174 15.999400 -0.847600 5.1543E+00 8.1152E+00 -1.9493E+01 H1 4175 1.008000 0.423800 5.8540E+00 8.7940E+00 -1.9270E+01 H2 4176 1.008000 0.423800 4.4334E+00 8.5457E+00 1.9061E+01 O6 4177 15.999400 -0.847600 -2.3446E-01 -1.8772E+01 -4.8135E+00 H1 4178 1.008000 0.423800 2.9794E-01 -1.7983E+01 -5.1190E+00 H2 4179 1.008000 0.423800 -1.1956E+00 -1.8511E+01 -4.7235E+00 O6 4180 15.999400 -0.847600 -1.4887E+00 -8.1929E+00 1.3699E+01 H1 4181 1.008000 0.423800 -2.4518E+00 -8.2209E+00 1.3431E+01 H2 4182 1.008000 0.423800 -1.1948E+00 -9.1059E+00 1.3982E+01 O6 4183 15.999400 -0.847600 1.9457E+01 -1.5482E+01 -1.8450E+01 H1 4184 1.008000 0.423800 -1.8848E+01 -1.5499E+01 -1.9060E+01 H2 4185 1.008000 0.423800 1.8951E+01 -1.6339E+01 -1.8538E+01 O6 4186 15.999400 -0.847600 1.3599E+01 -1.2623E+01 1.9514E+01 H1 4187 1.008000 0.423800 1.2912E+01 -1.2557E+01 -1.8860E+01 H2 4188 1.008000 0.423800 1.4462E+01 -1.2945E+01 -1.9194E+01 O6 4189 15.999400 -0.847600 -1.6844E+01 -1.2220E+01 1.8999E-02 H1 4190 1.008000 0.423800 -1.7645E+01 -1.2394E+01 -5.5434E-01 H2 4191 1.008000 0.423800 -1.6247E+01 -1.3022E+01 9.4495E-03 O6 4192 15.999400 -0.847600 8.3028E-01 1.3991E+01 -6.5396E+00 H1 4193 1.008000 0.423800 4.7427E-01 1.3185E+01 -7.0135E+00 H2 4194 1.008000 0.423800 7.3213E-01 1.4794E+01 -7.1274E+00 O6 4195 15.999400 -0.847600 1.4194E+01 -1.3018E+01 7.5903E+00 H1 4196 1.008000 0.423800 1.4022E+01 -1.2186E+01 7.0619E+00 H2 4197 1.008000 0.423800 1.3520E+01 -1.3714E+01 7.3442E+00 O6 4198 15.999400 -0.847600 -1.1640E+01 1.6256E+01 -4.7191E+00 H1 4199 1.008000 0.423800 -1.0791E+01 1.6003E+01 -5.1837E+00 H2 4200 1.008000 0.423800 -1.1540E+01 1.6103E+01 -3.7360E+00 O6 4201 15.999400 -0.847600 -3.7657E+00 -2.5496E+00 5.2087E+00 H1 4202 1.008000 0.423800 -3.9313E+00 -2.5293E+00 4.2228E+00 H2 4203 1.008000 0.423800 -3.6417E+00 -1.6161E+00 5.5452E+00 O6 4204 15.999400 -0.847600 5.9382E-01 -9.4376E+00 9.1863E+00 H1 4205 1.008000 0.423800 4.8081E-01 -8.8906E+00 1.0016E+01 H2 4206 1.008000 0.423800 1.1324E+00 -1.0254E+01 9.3960E+00 O6 4207 15.999400 -0.847600 1.6689E-01 -1.7308E+01 1.5001E+01 H1 4208 1.008000 0.423800 3.5986E-01 -1.7510E+01 1.4041E+01 H2 4209 1.008000 0.423800 8.4608E-01 -1.7759E+01 1.5580E+01 O6 4210 15.999400 -0.847600 1.4280E+01 8.1085E+00 -6.3416E+00 H1 4211 1.008000 0.423800 1.4496E+01 8.2821E+00 -5.3807E+00 H2 4212 1.008000 0.423800 1.4287E+01 8.9721E+00 -6.8459E+00 O6 4213 15.999400 -0.847600 1.8277E+01 -3.0433E-01 -1.4226E+01 H1 4214 1.008000 0.423800 1.8557E+01 -1.0089E+00 -1.3574E+01 H2 4215 1.008000 0.423800 1.9009E+01 -1.5507E-01 -1.4891E+01 O6 4216 15.999400 -0.847600 1.8792E+01 -1.1781E+01 -1.4062E+01 H1 4217 1.008000 0.423800 1.8135E+01 -1.1686E+01 -1.3313E+01 H2 4218 1.008000 0.423800 1.8303E+01 -1.1793E+01 -1.4934E+01 O6 4219 15.999400 -0.847600 5.4974E+00 3.4054E+00 9.6897E+00 H1 4220 1.008000 0.423800 5.8923E+00 3.0260E+00 1.0526E+01 H2 4221 1.008000 0.423800 6.1940E+00 3.9304E+00 9.2007E+00 O6 4222 15.999400 -0.847600 1.7348E+01 7.2061E+00 1.2029E+01 H1 4223 1.008000 0.423800 1.6613E+01 7.2142E+00 1.2706E+01 H2 4224 1.008000 0.423800 1.7359E+01 8.0778E+00 1.1539E+01 O6 4225 15.999400 -0.847600 -1.2898E+01 1.9214E+01 1.9410E+01 H1 4226 1.008000 0.423800 -1.3639E+01 1.8682E+01 1.9000E+01 H2 4227 1.008000 0.423800 -1.3252E+01 -1.9000E+01 -1.9381E+01 O6 4228 15.999400 -0.847600 8.5957E-01 -8.2713E+00 -1.4912E+01 H1 4229 1.008000 0.423800 1.1015E+00 -9.0642E+00 -1.4353E+01 H2 4230 1.008000 0.423800 1.3296E+00 -7.4609E+00 -1.4562E+01 O6 4231 15.999400 -0.847600 1.8440E+01 -9.8265E+00 -7.4694E+00 H1 4232 1.008000 0.423800 1.7779E+01 -1.0049E+01 -6.7527E+00 H2 4233 1.008000 0.423800 1.9209E+01 -9.3266E+00 -7.0703E+00 O6 4234 15.999400 -0.847600 1.7515E+01 -1.5895E+01 -9.6898E+00 H1 4235 1.008000 0.423800 1.6929E+01 -1.6526E+01 -1.0198E+01 H2 4236 1.008000 0.423800 1.7007E+01 -1.5519E+01 -8.9148E+00 O6 4237 15.999400 -0.847600 1.4472E+01 -5.9559E+00 -2.5439E+00 H1 4238 1.008000 0.423800 1.5228E+01 -5.3013E+00 -2.5505E+00 H2 4239 1.008000 0.423800 1.4166E+01 -6.1220E+00 -3.4815E+00 O6 4240 15.999400 -0.847600 -1.3166E+01 -1.6662E+01 6.1871E+00 H1 4241 1.008000 0.423800 -1.3417E+01 -1.7568E+01 5.8474E+00 H2 4242 1.008000 0.423800 -1.3694E+01 -1.6456E+01 7.0110E+00 O6 4243 15.999400 -0.847600 -1.7322E+01 9.0672E+00 7.5592E-01 H1 4244 1.008000 0.423800 -1.6535E+01 9.6225E+00 4.8573E-01 H2 4245 1.008000 0.423800 -1.7002E+01 8.2094E+00 1.1581E+00 O6 4246 15.999400 -0.847600 -1.0536E+01 9.7315E+00 9.6097E-02 H1 4247 1.008000 0.423800 -1.0022E+01 9.1315E+00 7.0956E-01 H2 4248 1.008000 0.423800 -1.0880E+01 1.0517E+01 6.0984E-01 O6 4249 15.999400 -0.847600 -1.6611E+01 -5.4515E+00 6.4295E+00 H1 4250 1.008000 0.423800 -1.7378E+01 -5.6662E+00 5.8249E+00 H2 4251 1.008000 0.423800 -1.6498E+01 -6.1865E+00 7.0980E+00 O6 4252 15.999400 -0.847600 -1.2759E+01 7.6284E+00 7.8621E+00 H1 4253 1.008000 0.423800 -1.2368E+01 8.2802E+00 8.5121E+00 H2 4254 1.008000 0.423800 -1.3470E+01 7.0910E+00 8.3159E+00 O6 4255 15.999400 -0.847600 -7.0048E+00 1.4186E+01 -5.6657E+00 H1 4256 1.008000 0.423800 -6.8563E+00 1.4595E+01 -6.5657E+00 H2 4257 1.008000 0.423800 -7.5452E+00 1.3350E+01 -5.7649E+00 O6 4258 15.999400 -0.847600 2.9332E+00 2.5339E-01 -3.1037E-01 H1 4259 1.008000 0.423800 3.6102E+00 8.3347E-01 -7.6334E-01 H2 4260 1.008000 0.423800 3.1366E+00 2.0513E-01 6.6753E-01 O6 4261 15.999400 -0.847600 -3.9702E-01 -5.7952E+00 -1.2481E+01 H1 4262 1.008000 0.423800 -7.8248E-01 -6.7118E+00 -1.2587E+01 H2 4263 1.008000 0.423800 -1.1351E+00 -5.1205E+00 -1.2488E+01 O6 4264 15.999400 -0.847600 -2.8345E+00 -1.5424E+01 -1.4668E+01 H1 4265 1.008000 0.423800 -2.0877E+00 -1.5400E+01 -1.5333E+01 H2 4266 1.008000 0.423800 -3.4454E+00 -1.6187E+01 -1.4881E+01 O6 4267 15.999400 -0.847600 -1.3256E+01 -2.8192E+00 3.0875E+00 H1 4268 1.008000 0.423800 -1.4214E+01 -3.0898E+00 3.1887E+00 H2 4269 1.008000 0.423800 -1.2667E+01 -3.6125E+00 3.2425E+00 O6 4270 15.999400 -0.847600 5.2701E+00 -1.3842E+01 1.0550E+01 H1 4271 1.008000 0.423800 5.0228E+00 -1.2966E+01 1.0963E+01 H2 4272 1.008000 0.423800 4.8269E+00 -1.3927E+01 9.6579E+00 O6 4273 15.999400 -0.847600 -1.2696E+01 1.0700E+01 6.6237E+00 H1 4274 1.008000 0.423800 -1.3320E+01 1.1436E+01 6.3598E+00 H2 4275 1.008000 0.423800 -1.3224E+01 9.9138E+00 6.9430E+00 O6 4276 15.999400 -0.847600 1.7325E+01 1.5500E+01 -6.0975E+00 H1 4277 1.008000 0.423800 1.7639E+01 1.4847E+01 -6.7874E+00 H2 4278 1.008000 0.423800 1.6776E+01 1.6211E+01 -6.5368E+00 O6 4279 15.999400 -0.847600 5.4285E+00 1.7745E+01 -8.2463E+00 H1 4280 1.008000 0.423800 5.4533E+00 1.8280E+01 -7.4016E+00 H2 4281 1.008000 0.423800 6.2052E+00 1.7116E+01 -8.2651E+00 O6 4282 15.999400 -0.847600 1.6834E+01 1.1834E+01 1.0150E+00 H1 4283 1.008000 0.423800 1.7651E+01 1.1786E+01 4.3952E-01 H2 4284 1.008000 0.423800 1.6781E+01 1.1015E+01 1.5864E+00 O6 4285 15.999400 -0.847600 3.3911E+00 9.2563E+00 -1.4395E+01 H1 4286 1.008000 0.423800 3.7832E+00 9.5483E+00 -1.5267E+01 H2 4287 1.008000 0.423800 3.7423E+00 9.8372E+00 -1.3660E+01 O6 4288 15.999400 -0.847600 -6.6847E+00 1.7395E+01 3.5726E+00 H1 4289 1.008000 0.423800 -6.2727E+00 1.6536E+01 3.8763E+00 H2 4290 1.008000 0.423800 -5.9808E+00 1.8103E+01 3.5253E+00 O6 4291 15.999400 -0.847600 -2.4270E+00 -1.4947E+01 1.1106E+00 H1 4292 1.008000 0.423800 -2.4910E+00 -1.4058E+01 6.5597E-01 H2 4293 1.008000 0.423800 -3.1891E+00 -1.5525E+01 8.2019E-01 O6 4294 15.999400 -0.847600 -8.6715E+00 -1.8473E+01 -1.3870E+01 H1 4295 1.008000 0.423800 -8.8714E+00 -1.9076E+01 -1.3099E+01 H2 4296 1.008000 0.423800 -8.4353E+00 -1.7563E+01 -1.3529E+01 O6 4297 15.999400 -0.847600 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1.3478E+01 H2 4314 1.008000 0.423800 -5.7495E+00 1.0970E+01 1.2055E+01 O6 4315 15.999400 -0.847600 1.8874E+01 -6.1164E+00 -1.8318E+00 H1 4316 1.008000 0.423800 1.8407E+01 -5.2355E+00 -1.9115E+00 H2 4317 1.008000 0.423800 -1.9425E+01 -6.1258E+00 -2.4331E+00 O6 4318 15.999400 -0.847600 1.2247E+01 1.0980E+01 -1.1449E+01 H1 4319 1.008000 0.423800 1.2809E+01 1.1183E+01 -1.2251E+01 H2 4320 1.008000 0.423800 1.2389E+01 1.0029E+01 -1.1175E+01 O6 4321 15.999400 -0.847600 -9.3236E+00 1.6801E+00 3.8128E+00 H1 4322 1.008000 0.423800 -8.4594E+00 1.5637E+00 4.3023E+00 H2 4323 1.008000 0.423800 -1.0086E+01 1.5526E+00 4.4474E+00 O6 4324 15.999400 -0.847600 -4.0261E+00 1.3096E+01 -1.3191E+00 H1 4325 1.008000 0.423800 -3.9898E+00 1.2768E+01 -2.2629E+00 H2 4326 1.008000 0.423800 -3.3146E+00 1.3785E+01 -1.1782E+00 O6 4327 15.999400 -0.847600 4.7208E+00 6.3941E-01 9.5166E+00 H1 4328 1.008000 0.423800 4.4685E+00 6.5061E-01 1.0484E+01 H2 4329 1.008000 0.423800 4.0935E+00 1.2238E+00 9.0018E+00 O6 4330 15.999400 -0.847600 -1.7217E+01 9.6296E-01 1.6847E+01 H1 4331 1.008000 0.423800 -1.7522E+01 1.5007E+00 1.7633E+01 H2 4332 1.008000 0.423800 -1.6952E+01 4.8154E-02 1.7152E+01 O6 4333 15.999400 -0.847600 -4.6623E+00 1.6286E+01 -1.2342E+01 H1 4334 1.008000 0.423800 -4.5440E+00 1.6251E+01 -1.3334E+01 H2 4335 1.008000 0.423800 -5.5745E+00 1.5952E+01 -1.2103E+01 O6 4336 15.999400 -0.847600 -1.9441E+00 1.4311E+01 -1.7889E+01 H1 4337 1.008000 0.423800 -1.4516E+00 1.4484E+01 -1.7036E+01 H2 4338 1.008000 0.423800 -1.5828E+00 1.4905E+01 -1.8608E+01 O6 4339 15.999400 -0.847600 2.8618E+00 8.6975E+00 1.0430E+01 H1 4340 1.008000 0.423800 2.1546E+00 7.9904E+00 1.0423E+01 H2 4341 1.008000 0.423800 3.1696E+00 8.8525E+00 1.1369E+01 O6 4342 15.999400 -0.847600 -6.7639E-01 1.4819E+01 7.2388E+00 H1 4343 1.008000 0.423800 -7.0434E-01 1.5809E+01 7.3799E+00 H2 4344 1.008000 0.423800 -1.4500E+00 1.4542E+01 6.6691E+00 O6 4345 15.999400 -0.847600 -1.4641E+01 1.3743E+01 8.1456E-01 H1 4346 1.008000 0.423800 -1.3778E+01 1.4089E+01 1.1816E+00 H2 4347 1.008000 0.423800 -1.5148E+01 1.3277E+01 1.5396E+00 O6 4348 15.999400 -0.847600 1.6369E+01 9.3212E+00 2.7013E+00 H1 4349 1.008000 0.423800 1.5596E+01 9.1823E+00 3.3209E+00 H2 4350 1.008000 0.423800 1.6291E+01 8.6946E+00 1.9258E+00 O6 4351 15.999400 -0.847600 -6.7734E+00 6.6656E+00 -7.3713E-01 H1 4352 1.008000 0.423800 -6.1930E+00 6.0475E+00 -2.0698E-01 H2 4353 1.008000 0.423800 -7.3830E+00 7.1623E+00 -1.1930E-01 O6 4354 15.999400 -0.847600 6.1647E+00 -1.6671E+01 1.7058E+01 H1 4355 1.008000 0.423800 6.2330E+00 -1.6723E+01 1.6062E+01 H2 4356 1.008000 0.423800 5.4000E+00 -1.6078E+01 1.7309E+01 O6 4357 15.999400 -0.847600 1.0506E+01 -5.8046E+00 -1.8135E+01 H1 4358 1.008000 0.423800 1.0711E+01 -4.9636E+00 -1.8636E+01 H2 4359 1.008000 0.423800 1.0325E+01 -6.5433E+00 -1.8785E+01 O6 4360 15.999400 -0.847600 5.5637E+00 -6.2842E+00 -1.7242E+01 H1 4361 1.008000 0.423800 6.2672E+00 -6.8120E+00 -1.6766E+01 H2 4362 1.008000 0.423800 5.3031E+00 -6.7584E+00 -1.8083E+01 O6 4363 15.999400 -0.847600 1.7869E+01 1.0355E+01 1.3821E+01 H1 4364 1.008000 0.423800 1.8260E+01 1.1267E+01 1.3701E+01 H2 4365 1.008000 0.423800 1.7834E+01 9.8891E+00 1.2936E+01 O6 4366 15.999400 -0.847600 1.0776E+00 -7.3730E+00 1.1263E+01 H1 4367 1.008000 0.423800 5.5727E-01 -6.6679E+00 1.1745E+01 H2 4368 1.008000 0.423800 1.7722E+00 -7.7513E+00 1.1875E+01 O6 4369 15.999400 -0.847600 1.7104E+01 -1.1448E+01 3.0966E+00 H1 4370 1.008000 0.423800 1.7369E+01 -1.0845E+01 3.8486E+00 H2 4371 1.008000 0.423800 1.7121E+01 -1.0937E+01 2.2372E+00 O6 4372 15.999400 -0.847600 2.1720E+00 -3.9520E+00 -1.8479E+01 H1 4373 1.008000 0.423800 2.0027E+00 -4.0963E+00 -1.9454E+01 H2 4374 1.008000 0.423800 1.3037E+00 -3.9725E+00 -1.7984E+01 O6 4375 15.999400 -0.847600 1.6620E+01 -3.9382E+00 -2.2919E+00 H1 4376 1.008000 0.423800 1.6651E+01 -4.0368E+00 -3.2865E+00 H2 4377 1.008000 0.423800 1.6278E+01 -3.0281E+00 -2.0578E+00 O6 4378 15.999400 -0.847600 -2.0251E+00 -1.1220E+01 -1.1596E+01 H1 4379 1.008000 0.423800 -2.7504E+00 -1.0603E+01 -1.1290E+01 H2 4380 1.008000 0.423800 -2.2324E+00 -1.2152E+01 -1.1298E+01 O6 4381 15.999400 -0.847600 6.1307E+00 -6.6146E+00 1.2913E+01 H1 4382 1.008000 0.423800 5.7048E+00 -6.5254E+00 1.3813E+01 H2 4383 1.008000 0.423800 5.6927E+00 -7.3593E+00 1.2409E+01 O6 4384 15.999400 -0.847600 8.2995E+00 9.5755E+00 -2.9982E+00 H1 4385 1.008000 0.423800 7.9414E+00 1.0490E+01 -3.1866E+00 H2 4386 1.008000 0.423800 8.0712E+00 9.3150E+00 -2.0601E+00 O6 4387 15.999400 -0.847600 -5.0699E-01 -6.7247E+00 1.7604E+00 H1 4388 1.008000 0.423800 -1.4531E+00 -6.4098E+00 1.8358E+00 H2 4389 1.008000 0.423800 -2.9378E-01 -6.9128E+00 8.0170E-01 O6 4390 15.999400 -0.847600 -1.8872E+01 1.0933E+01 -1.7117E+01 H1 4391 1.008000 0.423800 -1.8438E+01 1.0772E+01 -1.8004E+01 H2 4392 1.008000 0.423800 -1.9150E+01 1.0059E+01 -1.6719E+01 O6 4393 15.999400 -0.847600 -8.0392E+00 1.2984E+01 1.0349E+01 H1 4394 1.008000 0.423800 -8.1850E+00 1.3884E+01 9.9364E+00 H2 4395 1.008000 0.423800 -8.6778E+00 1.2859E+01 1.1108E+01 O6 4396 15.999400 -0.847600 -3.6233E+00 -5.9341E+00 7.5677E+00 H1 4397 1.008000 0.423800 -3.6095E+00 -5.4076E+00 8.4178E+00 H2 4398 1.008000 0.423800 -3.6162E+00 -6.9111E+00 7.7806E+00 O6 4399 15.999400 -0.847600 1.6614E+01 1.4025E+01 -3.9094E+00 H1 4400 1.008000 0.423800 1.5723E+01 1.4260E+01 -3.5206E+00 H2 4401 1.008000 0.423800 1.6796E+01 1.4607E+01 -4.7020E+00 O6 4402 15.999400 -0.847600 9.3496E+00 -1.2458E+01 7.8475E+00 H1 4403 1.008000 0.423800 8.8033E+00 -1.3096E+01 8.3906E+00 H2 4404 1.008000 0.423800 8.8678E+00 -1.2247E+01 6.9971E+00 O6 4405 15.999400 -0.847600 -3.1693E+00 -5.2600E+00 4.7623E+00 H1 4406 1.008000 0.423800 -3.5663E+00 -5.7890E+00 5.5123E+00 H2 4407 1.008000 0.423800 -3.1888E+00 -4.2874E+00 4.9936E+00 O6 4408 15.999400 -0.847600 1.0706E+01 -1.0720E+01 -1.6488E+01 H1 4409 1.008000 0.423800 1.1184E+01 -1.1528E+01 -1.6833E+01 H2 4410 1.008000 0.423800 1.1342E+01 -1.0155E+01 -1.5963E+01 O6 4411 15.999400 -0.847600 -5.4108E+00 -9.0914E+00 -1.3526E+01 H1 4412 1.008000 0.423800 -6.2119E+00 -8.6270E+00 -1.3904E+01 H2 4413 1.008000 0.423800 -5.7008E+00 -9.9201E+00 -1.3047E+01 O6 4414 15.999400 -0.847600 1.7728E+00 7.7709E-01 -1.4958E+01 H1 4415 1.008000 0.423800 1.0247E+00 1.1414E-01 -1.4926E+01 H2 4416 1.008000 0.423800 1.4423E+00 1.6337E+00 -1.5355E+01 O6 4417 15.999400 -0.847600 -1.7073E+01 -5.3632E+00 1.7780E+01 H1 4418 1.008000 0.423800 -1.6461E+01 -5.7050E+00 1.7067E+01 H2 4419 1.008000 0.423800 -1.6922E+01 -5.8779E+00 1.8624E+01 O6 4420 15.999400 -0.847600 -1.0764E+01 -1.4546E+01 -1.6555E+01 H1 4421 1.008000 0.423800 -1.0929E+01 -1.3588E+01 -1.6790E+01 H2 4422 1.008000 0.423800 -9.8648E+00 -1.4633E+01 -1.6126E+01 O6 4423 15.999400 -0.847600 3.3469E+00 -7.2859E+00 3.9666E+00 H1 4424 1.008000 0.423800 2.3982E+00 -7.5557E+00 3.8017E+00 H2 4425 1.008000 0.423800 3.4366E+00 -6.9359E+00 4.8990E+00 O6 4426 15.999400 -0.847600 4.6472E+00 -8.3781E+00 -1.1202E+01 H1 4427 1.008000 0.423800 4.3129E+00 -7.4630E+00 -1.0976E+01 H2 4428 1.008000 0.423800 5.6349E+00 -8.3437E+00 -1.1354E+01 O6 4429 15.999400 -0.847600 -6.7601E+00 -1.0403E+01 1.6288E+01 H1 4430 1.008000 0.423800 -6.5950E+00 -9.6493E+00 1.6924E+01 H2 4431 1.008000 0.423800 -6.5694E+00 -1.1272E+01 1.6744E+01 O6 4432 15.999400 -0.847600 -1.4461E+01 -7.3086E+00 1.6733E+01 H1 4433 1.008000 0.423800 -1.4426E+01 -7.8393E+00 1.7580E+01 H2 4434 1.008000 0.423800 -1.3989E+01 -7.8088E+00 1.6007E+01 O6 4435 15.999400 -0.847600 -6.7239E+00 -1.1229E+01 -1.1787E+01 H1 4436 1.008000 0.423800 -6.9787E+00 -1.0306E+01 -1.1498E+01 H2 4437 1.008000 0.423800 -7.4291E+00 -1.1876E+01 -1.1497E+01 O6 4438 15.999400 -0.847600 -7.2177E+00 1.0683E+01 -1.9245E+01 H1 4439 1.008000 0.423800 -6.5221E+00 1.1347E+01 -1.9520E+01 H2 4440 1.008000 0.423800 -7.8816E+00 1.1126E+01 -1.8642E+01 O6 4441 15.999400 -0.847600 1.3903E+01 -1.5458E+01 1.4989E+01 H1 4442 1.008000 0.423800 1.3769E+01 -1.4910E+01 1.4163E+01 H2 4443 1.008000 0.423800 1.4233E+01 -1.6367E+01 1.4736E+01 O6 4444 15.999400 -0.847600 1.2666E+01 1.4503E+01 1.5210E+01 H1 4445 1.008000 0.423800 1.2766E+01 1.4574E+01 1.4218E+01 H2 4446 1.008000 0.423800 1.1706E+01 1.4334E+01 1.5437E+01 O6 4447 15.999400 -0.847600 1.8209E+00 7.1377E-01 1.1995E+01 H1 4448 1.008000 0.423800 8.8774E-01 3.6051E-01 1.1929E+01 H2 4449 1.008000 0.423800 1.8660E+00 1.6178E+00 1.1570E+01 O6 4450 15.999400 -0.847600 -2.2086E+00 1.4874E+01 -6.6939E-01 H1 4451 1.008000 0.423800 -1.6297E+00 1.5243E+01 -1.3963E+00 H2 4452 1.008000 0.423800 -2.8172E+00 1.5591E+01 -3.3077E-01 O6 4453 15.999400 -0.847600 -8.8165E+00 -1.1903E+01 -4.4732E+00 H1 4454 1.008000 0.423800 -8.0091E+00 -1.1549E+01 -4.9455E+00 H2 4455 1.008000 0.423800 -8.5296E+00 -1.2501E+01 -3.7248E+00 O6 4456 15.999400 -0.847600 9.5435E+00 1.3112E+01 -1.7975E+01 H1 4457 1.008000 0.423800 9.9962E+00 1.3729E+01 -1.8619E+01 H2 4458 1.008000 0.423800 9.0115E+00 1.3647E+01 -1.7319E+01 O6 4459 15.999400 -0.847600 -1.5643E+01 -1.5889E+01 1.3743E+01 H1 4460 1.008000 0.423800 -1.6494E+01 -1.6411E+01 1.3807E+01 H2 4461 1.008000 0.423800 -1.5246E+01 -1.6008E+01 1.2833E+01 O6 4462 15.999400 -0.847600 1.9491E+01 1.4478E+01 -4.3853E-01 H1 4463 1.008000 0.423800 -1.8790E+01 1.4636E+01 1.1655E-01 H2 4464 1.008000 0.423800 -1.9450E+01 1.4818E+01 -1.3659E+00 O6 4465 15.999400 -0.847600 5.7237E+00 -1.8315E+01 -1.6610E+00 H1 4466 1.008000 0.423800 6.1384E+00 -1.8372E+01 -2.5692E+00 H2 4467 1.008000 0.423800 5.9575E+00 -1.7437E+01 -1.2427E+00 O6 4468 15.999400 -0.847600 -6.3517E-01 -3.2462E+00 1.7696E+01 H1 4469 1.008000 0.423800 -1.3929E+00 -3.0885E+00 1.7063E+01 H2 4470 1.008000 0.423800 -8.4953E-01 -2.8339E+00 1.8582E+01 O6 4471 15.999400 -0.847600 6.8894E+00 1.0306E+00 -1.1440E+01 H1 4472 1.008000 0.423800 6.5430E+00 9.2384E-01 -1.2372E+01 H2 4473 1.008000 0.423800 6.3510E+00 1.7244E+00 -1.0962E+01 O6 4474 15.999400 -0.847600 -1.7941E+01 -1.4020E+01 -4.9149E+00 H1 4475 1.008000 0.423800 -1.7952E+01 -1.3301E+01 -5.6101E+00 H2 4476 1.008000 0.423800 -1.8548E+01 -1.4764E+01 -5.1941E+00 O6 4477 15.999400 -0.847600 -1.6870E+01 -1.6017E+01 1.9537E+01 H1 4478 1.008000 0.423800 -1.6542E+01 -1.5217E+01 1.9034E+01 H2 4479 1.008000 0.423800 -1.6170E+01 -1.6730E+01 1.9523E+01 O6 4480 15.999400 -0.847600 -3.1738E+00 -2.5637E+00 2.3528E+00 H1 4481 1.008000 0.423800 -2.4744E+00 -1.8581E+00 2.2391E+00 H2 4482 1.008000 0.423800 -3.2261E+00 -3.1180E+00 1.5222E+00 O6 4483 15.999400 -0.847600 1.3639E+01 1.0018E+01 -1.7744E+01 H1 4484 1.008000 0.423800 1.2947E+01 1.0374E+01 -1.8372E+01 H2 4485 1.008000 0.423800 1.3541E+01 9.0252E+00 -1.7670E+01 O6 4486 15.999400 -0.847600 -4.8368E+00 -1.7638E+01 9.5409E+00 H1 4487 1.008000 0.423800 -3.9418E+00 -1.7814E+01 9.1307E+00 H2 4488 1.008000 0.423800 -4.8384E+00 -1.6731E+01 9.9619E+00 O6 4489 15.999400 -0.847600 1.9061E+01 -1.3721E+01 1.6787E+01 H1 4490 1.008000 0.423800 -1.9270E+01 -1.3135E+01 1.6522E+01 H2 4491 1.008000 0.423800 1.8638E+01 -1.3360E+01 1.7618E+01 O6 4492 15.999400 -0.847600 -1.9088E+01 -1.0645E+01 1.1837E+01 H1 4493 1.008000 0.423800 -1.9433E+01 -1.0880E+01 1.0928E+01 H2 4494 1.008000 0.423800 -1.8491E+01 -9.8459E+00 1.1770E+01 O6 4495 15.999400 -0.847600 3.0976E+00 9.1745E+00 -8.3155E+00 H1 4496 1.008000 0.423800 3.3908E+00 9.5470E+00 -7.4350E+00 H2 4497 1.008000 0.423800 2.5366E+00 8.3609E+00 -8.1629E+00 O6 4498 15.999400 -0.847600 -4.8264E+00 1.3408E+01 2.5557E+00 H1 4499 1.008000 0.423800 -4.0785E+00 1.3101E+01 1.9670E+00 H2 4500 1.008000 0.423800 -4.7369E+00 1.2983E+01 3.4567E+00 O6 4501 15.999400 -0.847600 6.5765E+00 -3.9364E+00 -7.1209E+00 H1 4502 1.008000 0.423800 6.3502E+00 -3.1087E+00 -6.6074E+00 H2 4503 1.008000 0.423800 7.1678E+00 -3.6991E+00 -7.8917E+00 O6 4504 15.999400 -0.847600 1.6572E+01 4.0310E+00 1.5992E+01 H1 4505 1.008000 0.423800 1.6434E+01 5.0057E+00 1.6168E+01 H2 4506 1.008000 0.423800 1.7518E+01 3.8742E+00 1.5709E+01 O6 4507 15.999400 -0.847600 -1.5720E+01 -2.8422E+00 -1.3651E+01 H1 4508 1.008000 0.423800 -1.6017E+01 -2.5973E+00 -1.4574E+01 H2 4509 1.008000 0.423800 -1.6243E+01 -2.3144E+00 -1.2982E+01 O6 4510 15.999400 -0.847600 -1.3733E+01 -2.4859E+00 4.2525E-01 H1 4511 1.008000 0.423800 -1.4609E+01 -2.1016E+00 1.3207E-01 H2 4512 1.008000 0.423800 -1.3683E+01 -2.4776E+00 1.4240E+00 O6 4513 15.999400 -0.847600 1.7155E+01 -1.1912E+01 -1.1820E+01 H1 4514 1.008000 0.423800 1.7075E+01 -1.1351E+01 -1.0996E+01 H2 4515 1.008000 0.423800 1.6407E+01 -1.1692E+01 -1.2447E+01 O6 4516 15.999400 -0.847600 -1.5255E+01 -2.3581E+00 1.5708E+01 H1 4517 1.008000 0.423800 -1.5914E+01 -2.4964E+00 1.6448E+01 H2 4518 1.008000 0.423800 -1.4373E+01 -2.7502E+00 1.5970E+01 O6 4519 15.999400 -0.847600 3.3408E+00 1.1371E+01 -1.1966E+01 H1 4520 1.008000 0.423800 2.4020E+00 1.1374E+01 -1.1621E+01 H2 4521 1.008000 0.423800 3.9035E+00 1.0774E+01 -1.1395E+01 O6 4522 15.999400 -0.847600 1.6397E+01 1.6660E+01 -1.3516E+01 H1 4523 1.008000 0.423800 1.7236E+01 1.6117E+01 -1.3552E+01 H2 4524 1.008000 0.423800 1.6078E+01 1.6843E+01 -1.4446E+01 O6 4525 15.999400 -0.847600 7.3759E+00 8.5388E+00 -6.4368E-01 H1 4526 1.008000 0.423800 7.5404E+00 9.0613E+00 1.9291E-01 H2 4527 1.008000 0.423800 7.1010E+00 7.6071E+00 -4.0604E-01 O6 4528 15.999400 -0.847600 -1.6124E+01 -3.1936E+00 2.0247E+00 H1 4529 1.008000 0.423800 -1.5907E+01 -4.1697E+00 2.0445E+00 H2 4530 1.008000 0.423800 -1.6632E+01 -2.9482E+00 2.8501E+00 O6 4531 15.999400 -0.847600 -1.5313E+01 -6.1738E+00 1.0174E+01 H1 4532 1.008000 0.423800 -1.5870E+01 -6.7066E+00 9.5367E+00 H2 4533 1.008000 0.423800 -1.5156E+01 -6.7073E+00 1.1005E+01 O6 4534 15.999400 -0.847600 -5.4284E+00 -1.2313E+01 -1.4084E+01 H1 4535 1.008000 0.423800 -5.9548E+00 -1.2069E+01 -1.3269E+01 H2 4536 1.008000 0.423800 -5.9673E+00 -1.2111E+01 -1.4902E+01 O6 4537 15.999400 -0.847600 1.6681E+01 1.7984E+00 -1.3695E+01 H1 4538 1.008000 0.423800 1.7126E+01 9.0962E-01 -1.3802E+01 H2 4539 1.008000 0.423800 1.5698E+01 1.6650E+00 -1.3569E+01 O6 4540 15.999400 -0.847600 -1.9245E+00 -1.1526E+01 1.7154E+01 H1 4541 1.008000 0.423800 -1.9046E+00 -1.2485E+01 1.7438E+01 H2 4542 1.008000 0.423800 -1.9849E+00 -1.0941E+01 1.7963E+01 O6 4543 15.999400 -0.847600 -1.6975E+01 1.6080E+01 -3.0550E+00 H1 4544 1.008000 0.423800 -1.6930E+01 1.5573E+01 -2.1940E+00 H2 4545 1.008000 0.423800 -1.7041E+01 1.7059E+01 -2.8625E+00 O6 4546 15.999400 -0.847600 -9.9593E+00 -3.7231E+00 -5.6240E+00 H1 4547 1.008000 0.423800 -8.9880E+00 -3.8920E+00 -5.7914E+00 H2 4548 1.008000 0.423800 -1.0255E+01 -4.2449E+00 -4.8238E+00 O6 4549 15.999400 -0.847600 7.3687E+00 -1.6937E+01 -1.5578E+01 H1 4550 1.008000 0.423800 6.8382E+00 -1.6651E+01 -1.4780E+01 H2 4551 1.008000 0.423800 7.3391E+00 -1.7933E+01 -1.5659E+01 O6 4552 15.999400 -0.847600 1.6714E+00 -4.2386E+00 -6.1146E+00 H1 4553 1.008000 0.423800 2.4830E+00 -3.7011E+00 -5.8858E+00 H2 4554 1.008000 0.423800 1.5814E+00 -4.2996E+00 -7.1086E+00 O6 4555 15.999400 -0.847600 6.3280E+00 9.7168E+00 1.3165E+01 H1 4556 1.008000 0.423800 5.9666E+00 9.1126E+00 1.2455E+01 H2 4557 1.008000 0.423800 7.3226E+00 9.7747E+00 1.3079E+01 O6 4558 15.999400 -0.847600 -1.0843E+01 1.9225E+01 8.7734E+00 H1 4559 1.008000 0.423800 -1.0619E+01 -1.9030E+01 9.2637E+00 H2 4560 1.008000 0.423800 -1.0603E+01 1.9328E+01 7.8081E+00 O6 4561 15.999400 -0.847600 -1.0658E+01 -1.0352E+01 1.8101E+01 H1 4562 1.008000 0.423800 -1.0004E+01 -1.1103E+01 1.8193E+01 H2 4563 1.008000 0.423800 -1.1154E+01 -1.0236E+01 1.8962E+01 O6 4564 15.999400 -0.847600 5.9722E+00 5.1998E+00 -5.6372E+00 H1 4565 1.008000 0.423800 5.7022E+00 5.5044E+00 -6.5506E+00 H2 4566 1.008000 0.423800 6.2910E+00 4.2530E+00 -5.6824E+00 O6 4567 15.999400 -0.847600 1.1321E+00 -1.6071E+01 -8.9060E+00 H1 4568 1.008000 0.423800 5.2648E-01 -1.6864E+01 -8.8452E+00 H2 4569 1.008000 0.423800 8.9996E-01 -1.5536E+01 -9.7183E+00 O6 4570 15.999400 -0.847600 -6.0898E-02 1.2309E+01 -1.6844E+01 H1 4571 1.008000 0.423800 -5.2459E-01 1.1423E+01 -1.6856E+01 H2 4572 1.008000 0.423800 -4.9322E-01 1.2903E+01 -1.6165E+01 O6 4573 15.999400 -0.847600 -1.8058E+01 4.5431E+00 -1.0109E+01 H1 4574 1.008000 0.423800 -1.7798E+01 3.7999E+00 -9.4928E+00 H2 4575 1.008000 0.423800 -1.7543E+01 5.3671E+00 -9.8741E+00 O6 4576 15.999400 -0.847600 -9.1559E+00 9.1258E+00 1.8532E+01 H1 4577 1.008000 0.423800 -9.0946E+00 9.1773E+00 1.7535E+01 H2 4578 1.008000 0.423800 -8.4897E+00 9.7504E+00 1.8939E+01 O6 4579 15.999400 -0.847600 1.8880E+01 -1.3351E+01 2.4433E-01 H1 4580 1.008000 0.423800 1.8673E+01 -1.3433E+01 1.2192E+00 H2 4581 1.008000 0.423800 1.9404E+01 -1.4149E+01 -5.3346E-02 O6 4582 15.999400 -0.847600 -6.9194E+00 -1.2962E+01 7.7469E+00 H1 4583 1.008000 0.423800 -7.0461E+00 -1.2591E+01 8.6668E+00 H2 4584 1.008000 0.423800 -7.5548E+00 -1.3721E+01 7.6034E+00 O6 4585 15.999400 -0.847600 2.3826E+00 1.8953E-01 -9.1099E+00 H1 4586 1.008000 0.423800 3.2831E+00 6.2019E-01 -9.0488E+00 H2 4587 1.008000 0.423800 1.6772E+00 8.5679E-01 -8.8710E+00 O6 4588 15.999400 -0.847600 -1.1174E+01 1.5096E+01 1.3763E+01 H1 4589 1.008000 0.423800 -1.0778E+01 1.4478E+01 1.4443E+01 H2 4590 1.008000 0.423800 -1.0607E+01 1.5094E+01 1.2940E+01 O6 4591 15.999400 -0.847600 -1.5347E+01 -3.9633E-01 -5.8614E+00 H1 4592 1.008000 0.423800 -1.5756E+01 -2.7847E-01 -4.9561E+00 H2 4593 1.008000 0.423800 -1.5602E+01 -1.2912E+00 -6.2279E+00 O6 4594 15.999400 -0.847600 3.6660E+00 1.6307E+01 -1.0418E+01 H1 4595 1.008000 0.423800 3.3546E+00 1.7246E+01 -1.0269E+01 H2 4596 1.008000 0.423800 3.5277E+00 1.5773E+01 -9.5841E+00 O6 4597 15.999400 -0.847600 7.9326E+00 1.6660E+01 1.2290E+01 H1 4598 1.008000 0.423800 7.1060E+00 1.6274E+01 1.2700E+01 H2 4599 1.008000 0.423800 8.5026E+00 1.5920E+01 1.1931E+01 O6 4600 15.999400 -0.847600 -1.0937E+01 -6.4243E+00 -9.3912E+00 H1 4601 1.008000 0.423800 -1.0487E+01 -6.4799E+00 -8.5000E+00 H2 4602 1.008000 0.423800 -1.1869E+01 -6.0804E+00 -9.2731E+00 O6 4603 15.999400 -0.847600 9.2223E+00 -5.2160E+00 2.9334E+00 H1 4604 1.008000 0.423800 8.6949E+00 -4.9619E+00 2.1227E+00 H2 4605 1.008000 0.423800 8.9104E+00 -4.6776E+00 3.7162E+00 O6 4606 15.999400 -0.847600 -1.1759E+01 1.4491E+01 -1.9315E+01 H1 4607 1.008000 0.423800 -1.2402E+01 1.5256E+01 -1.9377E+01 H2 4608 1.008000 0.423800 -1.2264E+01 1.3629E+01 -1.9351E+01 O6 4609 15.999400 -0.847600 8.0564E-01 -8.7976E+00 1.8301E+01 H1 4610 1.008000 0.423800 4.9750E-01 -8.3526E+00 1.7460E+01 H2 4611 1.008000 0.423800 1.4554E+00 -9.5233E+00 1.8075E+01 O6 4612 15.999400 -0.847600 4.2178E+00 -3.9891E+00 -1.3627E+01 H1 4613 1.008000 0.423800 3.6971E+00 -3.7452E+00 -1.2809E+01 H2 4614 1.008000 0.423800 3.5970E+00 -4.3550E+00 -1.4320E+01 O6 4615 15.999400 -0.847600 -4.2749E+00 5.0974E+00 1.1106E+01 H1 4616 1.008000 0.423800 -4.7515E+00 4.2183E+00 1.1114E+01 H2 4617 1.008000 0.423800 -3.5591E+00 5.0947E+00 1.1804E+01 O6 4618 15.999400 -0.847600 -2.9504E+00 5.2532E+00 -1.6610E+01 H1 4619 1.008000 0.423800 -2.4183E+00 4.5453E+00 -1.6145E+01 H2 4620 1.008000 0.423800 -3.7966E+00 5.4200E+00 -1.6104E+01 O6 4621 15.999400 -0.847600 3.3818E+00 3.0709E+00 -1.2341E+01 H1 4622 1.008000 0.423800 3.1545E+00 2.1787E+00 -1.2731E+01 H2 4623 1.008000 0.423800 3.9666E+00 2.9451E+00 -1.1539E+01 O6 4624 15.999400 -0.847600 -6.2401E+00 1.3214E+00 -1.6219E+01 H1 4625 1.008000 0.423800 -5.2531E+00 1.4009E+00 -1.6080E+01 H2 4626 1.008000 0.423800 -6.4409E+00 4.6851E-01 -1.6701E+01 O6 4627 15.999400 -0.847600 -1.9207E+01 -3.8093E+00 1.8320E+01 H1 4628 1.008000 0.423800 -1.8331E+01 -4.2920E+00 1.8345E+01 H2 4629 1.008000 0.423800 1.9147E+01 -4.4594E+00 1.8477E+01 O6 4630 15.999400 -0.847600 1.3635E+01 -1.6160E+01 -8.2653E+00 H1 4631 1.008000 0.423800 1.3842E+01 -1.5288E+01 -8.7092E+00 H2 4632 1.008000 0.423800 1.3611E+01 -1.6886E+01 -8.9524E+00 O6 4633 15.999400 -0.847600 2.9500E+00 -1.6398E+01 -1.2310E+00 H1 4634 1.008000 0.423800 3.0427E+00 -1.6606E+01 -2.5734E-01 H2 4635 1.008000 0.423800 2.0461E+00 -1.6684E+01 -1.5485E+00 O6 4636 15.999400 -0.847600 1.6650E+01 -1.8278E+01 4.4691E+00 H1 4637 1.008000 0.423800 1.6001E+01 -1.8472E+01 5.2048E+00 H2 4638 1.008000 0.423800 1.7583E+01 -1.8355E+01 4.8195E+00 O6 4639 15.999400 -0.847600 -1.8939E+01 -5.3888E+00 1.2039E+01 H1 4640 1.008000 0.423800 -1.8412E+01 -4.5394E+00 1.2025E+01 H2 4641 1.008000 0.423800 -1.9233E+01 -5.5831E+00 1.2975E+01 O6 4642 15.999400 -0.847600 7.5553E+00 1.6763E+01 -1.4284E+01 H1 4643 1.008000 0.423800 8.4212E+00 1.6982E+01 -1.4733E+01 H2 4644 1.008000 0.423800 7.4636E+00 1.7309E+01 -1.3452E+01 O6 4645 15.999400 -0.847600 7.2725E+00 -1.5948E+01 -5.5865E+00 H1 4646 1.008000 0.423800 7.1981E+00 -1.5212E+01 -4.9135E+00 H2 4647 1.008000 0.423800 6.4000E+00 -1.6053E+01 -6.0640E+00 O6 4648 15.999400 -0.847600 -1.8428E+01 1.9128E+01 1.2511E+01 H1 4649 1.008000 0.423800 -1.7794E+01 1.8397E+01 1.2257E+01 H2 4650 1.008000 0.423800 -1.7954E+01 -1.9302E+01 1.3084E+01 O6 4651 15.999400 -0.847600 -1.6097E+01 -1.4441E+01 6.7773E+00 H1 4652 1.008000 0.423800 -1.6296E+01 -1.5380E+01 6.5001E+00 H2 4653 1.008000 0.423800 -1.5407E+01 -1.4052E+01 6.1665E+00 O6 4654 15.999400 -0.847600 -5.8122E+00 8.2231E+00 8.2475E+00 H1 4655 1.008000 0.423800 -5.9499E+00 8.2421E+00 9.2378E+00 H2 4656 1.008000 0.423800 -5.3231E+00 7.3883E+00 7.9949E+00 O6 4657 15.999400 -0.847600 -1.8604E+01 1.7559E+01 -6.8627E+00 H1 4658 1.008000 0.423800 -1.8699E+01 1.6678E+01 -6.3987E+00 H2 4659 1.008000 0.423800 -1.8458E+01 1.7407E+01 -7.8402E+00 O6 4660 15.999400 -0.847600 1.3500E+01 1.6266E+01 -5.5961E+00 H1 4661 1.008000 0.423800 1.3782E+01 1.5922E+01 -4.7008E+00 H2 4662 1.008000 0.423800 1.3097E+01 1.5522E+01 -6.1285E+00 O6 4663 15.999400 -0.847600 1.3447E+01 -1.5081E+01 5.0942E+00 H1 4664 1.008000 0.423800 1.3340E+01 -1.4656E+01 4.1955E+00 H2 4665 1.008000 0.423800 1.2618E+01 -1.4936E+01 5.6332E+00 O6 4666 15.999400 -0.847600 -9.8449E+00 -1.3596E+01 -8.5044E-01 H1 4667 1.008000 0.423800 -1.0509E+01 -1.3790E+01 -1.2856E-01 H2 4668 1.008000 0.423800 -8.9284E+00 -1.3840E+01 -5.3354E-01 O6 4669 15.999400 -0.847600 1.6857E+01 1.7101E+01 2.9519E+00 H1 4670 1.008000 0.423800 1.7127E+01 1.7453E+01 3.8480E+00 H2 4671 1.008000 0.423800 1.7153E+01 1.6149E+01 2.8644E+00 O6 4672 15.999400 -0.847600 -2.4096E-01 -2.3211E+00 6.8418E+00 H1 4673 1.008000 0.423800 -5.7311E-01 -2.8459E+00 6.0579E+00 H2 4674 1.008000 0.423800 -9.4164E-01 -1.6666E+00 7.1257E+00 O6 4675 15.999400 -0.847600 -1.3551E+01 -1.2914E+01 1.6475E+01 H1 4676 1.008000 0.423800 -1.3451E+01 -1.1968E+01 1.6167E+01 H2 4677 1.008000 0.423800 -1.3591E+01 -1.3521E+01 1.5682E+01 O6 4678 15.999400 -0.847600 -2.5347E+00 1.1099E+00 -1.9136E+01 H1 4679 1.008000 0.423800 -2.6091E+00 3.5935E-01 1.9305E+01 H2 4680 1.008000 0.423800 -1.9090E+00 8.4871E-01 -1.8401E+01 O6 4681 15.999400 -0.847600 -1.4846E+01 1.0769E+01 -1.0186E+01 H1 4682 1.008000 0.423800 -1.4780E+01 1.1507E+01 -9.5146E+00 H2 4683 1.008000 0.423800 -1.4699E+01 9.8907E+00 -9.7321E+00 O6 4684 15.999400 -0.847600 -1.5599E+00 -9.3598E+00 7.5663E+00 H1 4685 1.008000 0.423800 -2.1953E+00 -9.0956E+00 8.2920E+00 H2 4686 1.008000 0.423800 -6.3158E-01 -9.4028E+00 7.9356E+00 O6 4687 15.999400 -0.847600 5.6461E+00 -1.7039E+00 -1.4786E+00 H1 4688 1.008000 0.423800 6.1170E+00 -1.0989E+00 -8.3642E-01 H2 4689 1.008000 0.423800 4.8452E+00 -2.1041E+00 -1.0332E+00 O6 4690 15.999400 -0.847600 1.8322E+01 4.6739E-01 9.8588E+00 H1 4691 1.008000 0.423800 1.8574E+01 -4.9998E-01 9.8393E+00 H2 4692 1.008000 0.423800 1.7340E+01 5.5198E-01 1.0029E+01 O6 4693 15.999400 -0.847600 1.0687E+00 3.6847E+00 -1.8660E+01 H1 4694 1.008000 0.423800 1.7863E+00 3.7995E+00 -1.7974E+01 H2 4695 1.008000 0.423800 2.7414E-01 4.2369E+00 -1.8408E+01 O6 4696 15.999400 -0.847600 -1.8123E+01 1.5529E+01 -1.8719E+01 H1 4697 1.008000 0.423800 -1.7898E+01 1.5308E+01 -1.7771E+01 H2 4698 1.008000 0.423800 -1.8091E+01 1.6520E+01 -1.8847E+01 O6 4699 15.999400 -0.847600 -6.5763E+00 1.7607E+01 -9.5551E+00 H1 4700 1.008000 0.423800 -5.7368E+00 1.8130E+01 -9.7000E+00 H2 4701 1.008000 0.423800 -7.2896E+00 1.8211E+01 -9.2011E+00 O6 4702 15.999400 -0.847600 -1.7821E+01 7.6849E+00 -1.2267E+01 H1 4703 1.008000 0.423800 -1.7625E+01 8.6648E+00 -1.2226E+01 H2 4704 1.008000 0.423800 -1.8644E+01 7.5320E+00 -1.2813E+01 O6 4705 15.999400 -0.847600 1.8075E+01 -8.3316E+00 1.2783E+01 H1 4706 1.008000 0.423800 1.8116E+01 -7.4927E+00 1.3326E+01 H2 4707 1.008000 0.423800 1.8886E+01 -8.8876E+00 1.2967E+01 O6 4708 15.999400 -0.847600 -1.3465E+01 -1.9396E+01 -2.7050E+00 H1 4709 1.008000 0.423800 -1.4412E+01 -1.9257E+01 -2.9941E+00 H2 4710 1.008000 0.423800 -1.3374E+01 1.8798E+01 -2.2847E+00 O6 4711 15.999400 -0.847600 8.7730E+00 1.8809E+01 -4.0355E+00 H1 4712 1.008000 0.423800 9.7290E+00 1.8574E+01 -4.2114E+00 H2 4713 1.008000 0.423800 8.2657E+00 1.7982E+01 -3.7931E+00 O6 4714 15.999400 -0.847600 -1.0487E+01 6.0416E+00 7.8075E+00 H1 4715 1.008000 0.423800 -1.0526E+01 5.1617E+00 7.3340E+00 H2 4716 1.008000 0.423800 -1.1388E+01 6.4741E+00 7.7820E+00 O6 4717 15.999400 -0.847600 1.9014E+00 -1.8387E+01 1.6824E+01 H1 4718 1.008000 0.423800 2.0302E+00 -1.9271E+01 1.6376E+01 H2 4719 1.008000 0.423800 1.8940E+00 -1.8513E+01 1.7815E+01 O6 4720 15.999400 -0.847600 -1.4693E+01 8.0639E+00 -8.7337E+00 H1 4721 1.008000 0.423800 -1.4132E+01 8.3192E+00 -7.9457E+00 H2 4722 1.008000 0.423800 -1.4111E+01 7.9801E+00 -9.5429E+00 O6 4723 15.999400 -0.847600 -1.5860E+01 1.4791E+01 7.4077E+00 H1 4724 1.008000 0.423800 -1.6061E+01 1.3872E+01 7.0681E+00 H2 4725 1.008000 0.423800 -1.5800E+01 1.4772E+01 8.4057E+00 O6 4726 15.999400 -0.847600 -1.5933E+01 -1.3090E+01 1.3793E+01 H1 4727 1.008000 0.423800 -1.6683E+01 -1.2957E+01 1.3145E+01 H2 4728 1.008000 0.423800 -1.5698E+01 -1.4061E+01 1.3835E+01 O6 4729 15.999400 -0.847600 -1.1221E+01 -7.2219E+00 1.0525E+01 H1 4730 1.008000 0.423800 -1.1267E+01 -8.1666E+00 1.0201E+01 H2 4731 1.008000 0.423800 -1.0324E+01 -6.8378E+00 1.0305E+01 O6 4732 15.999400 -0.847600 1.8330E+01 3.3994E+00 -9.5459E+00 H1 4733 1.008000 0.423800 1.8551E+01 3.2714E+00 -8.5789E+00 H2 4734 1.008000 0.423800 1.8590E+01 4.3232E+00 -9.8274E+00 O6 4735 15.999400 -0.847600 1.4205E+01 -5.1480E+00 7.7801E+00 H1 4736 1.008000 0.423800 1.3757E+01 -6.0090E+00 7.5379E+00 H2 4737 1.008000 0.423800 1.4160E+01 -4.5192E+00 7.0039E+00 O6 4738 15.999400 -0.847600 1.7062E+00 -1.5771E+01 1.0025E+01 H1 4739 1.008000 0.423800 1.9643E+00 -1.5008E+01 1.0619E+01 H2 4740 1.008000 0.423800 1.8166E+00 -1.5501E+01 9.0688E+00 O6 4741 15.999400 -0.847600 9.0010E+00 3.6277E+00 -8.0666E+00 H1 4742 1.008000 0.423800 9.6873E+00 3.4708E+00 -8.7769E+00 H2 4743 1.008000 0.423800 9.1669E+00 4.5132E+00 -7.6327E+00 O6 4744 15.999400 -0.847600 9.9083E+00 -1.1992E+01 -3.9258E+00 H1 4745 1.008000 0.423800 9.8807E+00 -1.2931E+01 -3.5839E+00 H2 4746 1.008000 0.423800 1.0238E+01 -1.1384E+01 -3.2034E+00 O6 4747 15.999400 -0.847600 1.7522E+01 8.5854E+00 6.0293E+00 H1 4748 1.008000 0.423800 1.7816E+01 8.2722E+00 5.1263E+00 H2 4749 1.008000 0.423800 1.7259E+01 7.7975E+00 6.5861E+00 O6 4750 15.999400 -0.847600 1.0238E+01 1.6813E+01 -6.2073E+00 H1 4751 1.008000 0.423800 9.8251E+00 1.6046E+01 -5.7160E+00 H2 4752 1.008000 0.423800 1.0996E+01 1.6480E+01 -6.7683E+00 O6 4753 15.999400 -0.847600 -1.8578E+01 -1.4223E+01 4.3732E+00 H1 4754 1.008000 0.423800 -1.7815E+01 -1.3973E+01 3.7766E+00 H2 4755 1.008000 0.423800 -1.9431E+01 -1.3870E+01 3.9898E+00 O6 4756 15.999400 -0.847600 -6.6012E+00 -1.8833E+00 1.2574E+00 H1 4757 1.008000 0.423800 -6.4038E+00 -1.9395E+00 2.2362E+00 H2 4758 1.008000 0.423800 -5.7428E+00 -1.8406E+00 7.4626E-01 O6 4759 15.999400 -0.847600 1.5254E+00 5.4710E+00 -5.4697E+00 H1 4760 1.008000 0.423800 1.8468E+00 5.9328E+00 -6.2963E+00 H2 4761 1.008000 0.423800 1.1466E+00 6.1461E+00 -4.8366E+00 O6 4762 15.999400 -0.847600 1.0021E+01 -1.1990E+01 1.3840E+01 H1 4763 1.008000 0.423800 1.0152E+01 -1.2575E+01 1.4640E+01 H2 4764 1.008000 0.423800 9.7760E+00 -1.2553E+01 1.3051E+01 O6 4765 15.999400 -0.847600 -2.8327E+00 1.2811E+00 -7.1726E+00 H1 4766 1.008000 0.423800 -3.2562E+00 1.9241E+00 -6.5344E+00 H2 4767 1.008000 0.423800 -2.6215E+00 1.7521E+00 -8.0291E+00 O6 4768 15.999400 -0.847600 1.4615E+01 -2.3066E+00 -6.4773E-03 H1 4769 1.008000 0.423800 1.4073E+01 -3.1462E+00 -4.4189E-02 H2 4770 1.008000 0.423800 1.4536E+01 -1.8995E+00 9.0346E-01 O6 4771 15.999400 -0.847600 1.9526E+01 1.2862E+01 1.7536E+01 H1 4772 1.008000 0.423800 1.9043E+01 1.3477E+01 1.8159E+01 H2 4773 1.008000 0.423800 1.8958E+01 1.2060E+01 1.7351E+01 O6 4774 15.999400 -0.847600 -1.0082E+01 1.4472E+01 1.0622E+00 H1 4775 1.008000 0.423800 -9.2431E+00 1.4342E+01 5.3403E-01 H2 4776 1.008000 0.423800 -1.0452E+01 1.3581E+01 1.3253E+00 O6 4777 15.999400 -0.847600 3.6412E+00 -4.6061E+00 8.2619E+00 H1 4778 1.008000 0.423800 3.6517E+00 -3.6225E+00 8.4422E+00 H2 4779 1.008000 0.423800 3.9409E+00 -5.0980E+00 9.0793E+00 O6 4780 15.999400 -0.847600 -1.8361E+01 1.8444E+01 6.0042E+00 H1 4781 1.008000 0.423800 -1.8497E+01 1.7727E+01 6.6871E+00 H2 4782 1.008000 0.423800 -1.8277E+01 1.8030E+01 5.0978E+00 O6 4783 15.999400 -0.847600 1.1523E+01 -6.8512E+00 8.4413E+00 H1 4784 1.008000 0.423800 1.1327E+01 -6.3836E+00 9.3033E+00 H2 4785 1.008000 0.423800 1.1501E+01 -7.8404E+00 8.5862E+00 O6 4786 15.999400 -0.847600 2.7891E-01 -1.5258E+01 -4.4495E+00 H1 4787 1.008000 0.423800 -4.9836E-01 -1.5766E+01 -4.0780E+00 H2 4788 1.008000 0.423800 -2.0395E-02 -1.4720E+01 -5.2376E+00 O6 4789 15.999400 -0.847600 1.3340E+01 8.8866E+00 3.4998E+00 H1 4790 1.008000 0.423800 1.3223E+01 9.3256E+00 2.6090E+00 H2 4791 1.008000 0.423800 1.3482E+01 7.9052E+00 3.3715E+00 O6 4792 15.999400 -0.847600 7.6415E+00 -1.3160E+00 1.7305E+01 H1 4793 1.008000 0.423800 7.2207E+00 -6.0919E-01 1.7873E+01 H2 4794 1.008000 0.423800 8.1860E+00 -8.8464E-01 1.6585E+01 O6 4795 15.999400 -0.847600 -4.3691E-01 -1.2017E+01 -1.7765E+01 H1 4796 1.008000 0.423800 -3.6754E-01 -1.2887E+01 -1.7276E+01 H2 4797 1.008000 0.423800 -1.1909E+00 -1.1481E+01 -1.7385E+01 O6 4798 15.999400 -0.847600 1.5900E+01 -1.9314E+00 -1.5577E+01 H1 4799 1.008000 0.423800 1.6687E+01 -1.3368E+00 -1.5409E+01 H2 4800 1.008000 0.423800 1.6216E+01 -2.8707E+00 -1.5712E+01 O6 4801 15.999400 -0.847600 7.9349E+00 1.5370E+01 1.6684E+01 H1 4802 1.008000 0.423800 7.9928E+00 1.6364E+01 1.6591E+01 H2 4803 1.008000 0.423800 7.6234E+00 1.5139E+01 1.7606E+01 O6 4804 15.999400 -0.847600 1.2510E+01 -1.8394E+01 -4.2303E+00 H1 4805 1.008000 0.423800 1.2311E+01 -1.9369E+01 -4.1271E+00 H2 4806 1.008000 0.423800 1.1653E+01 -1.7885E+01 -4.3096E+00 O6 4807 15.999400 -0.847600 4.3076E+00 4.0936E-01 -1.3392E+01 H1 4808 1.008000 0.423800 3.5715E+00 4.2220E-01 -1.4068E+01 H2 4809 1.008000 0.423800 5.1896E+00 3.5373E-01 -1.3860E+01 O6 4810 15.999400 -0.847600 -1.8229E+01 8.8168E+00 1.2475E+01 H1 4811 1.008000 0.423800 -1.8079E+01 9.1440E+00 1.3408E+01 H2 4812 1.008000 0.423800 -1.9106E+01 9.1579E+00 1.2139E+01 O6 4813 15.999400 -0.847600 -8.0916E+00 9.1773E+00 1.5716E+01 H1 4814 1.008000 0.423800 -8.0558E+00 9.8974E+00 1.5023E+01 H2 4815 1.008000 0.423800 -7.2163E+00 9.1342E+00 1.6197E+01 O6 4816 15.999400 -0.847600 -1.7755E+01 1.8404E+01 -1.8781E+01 H1 4817 1.008000 0.423800 -1.7144E+01 1.8329E+01 -1.7993E+01 H2 4818 1.008000 0.423800 -1.7288E+01 1.8889E+01 -1.9520E+01 O6 4819 15.999400 -0.847600 -1.9493E+01 -8.3661E+00 1.6935E+01 H1 4820 1.008000 0.423800 -1.8970E+01 -7.9613E+00 1.6185E+01 H2 4821 1.008000 0.423800 1.9361E+01 -7.6543E+00 1.7594E+01 O6 4822 15.999400 -0.847600 -2.3235E+00 1.6584E+01 2.8475E+00 H1 4823 1.008000 0.423800 -1.5951E+00 1.7001E+01 2.3037E+00 H2 4824 1.008000 0.423800 -3.0039E+00 1.7279E+01 3.0814E+00 O6 4825 15.999400 -0.847600 -1.4836E+01 -1.2629E+01 -2.3583E+00 H1 4826 1.008000 0.423800 -1.5741E+01 -1.2217E+01 -2.2567E+00 H2 4827 1.008000 0.423800 -1.4265E+01 -1.2042E+01 -2.9328E+00 O6 4828 15.999400 -0.847600 -5.7527E-01 5.5369E+00 -1.7658E+00 H1 4829 1.008000 0.423800 -4.6714E-01 4.5555E+00 -1.9242E+00 H2 4830 1.008000 0.423800 9.5653E-02 6.0385E+00 -2.3119E+00 O6 4831 15.999400 -0.847600 1.0080E+01 -5.0689E+00 -1.2930E+01 H1 4832 1.008000 0.423800 9.7221E+00 -5.6702E+00 -1.2215E+01 H2 4833 1.008000 0.423800 9.8772E+00 -5.4601E+00 -1.3827E+01 O6 4834 15.999400 -0.847600 -1.5955E+01 -5.6379E+00 -1.1065E+00 H1 4835 1.008000 0.423800 -1.5659E+01 -5.7420E+00 -1.5666E-01 H2 4836 1.008000 0.423800 -1.5167E+01 -5.7426E+00 -1.7135E+00 O6 4837 15.999400 -0.847600 -1.4461E+01 5.8226E+00 9.2270E+00 H1 4838 1.008000 0.423800 -1.4941E+01 5.5895E+00 1.0072E+01 H2 4839 1.008000 0.423800 -1.3941E+01 5.0296E+00 8.9098E+00 O6 4840 15.999400 -0.847600 -1.0213E+01 -8.1063E+00 -6.7481E+00 H1 4841 1.008000 0.423800 -1.0497E+01 -9.0575E+00 -6.6278E+00 H2 4842 1.008000 0.423800 -1.1013E+01 -7.5095E+00 -6.6888E+00 O6 4843 15.999400 -0.847600 1.1846E+00 7.1278E+00 -8.1409E+00 H1 4844 1.008000 0.423800 5.5600E-01 7.8825E+00 -8.3288E+00 H2 4845 1.008000 0.423800 1.3997E+00 6.6528E+00 -8.9942E+00 O6 4846 15.999400 -0.847600 1.9328E+00 1.7543E+01 -1.9498E+01 H1 4847 1.008000 0.423800 2.0134E+00 1.6897E+01 -1.8739E+01 H2 4848 1.008000 0.423800 2.5208E+00 1.7248E+01 1.8846E+01 O6 4849 15.999400 -0.847600 6.1599E+00 -1.0981E+01 -1.0477E+01 H1 4850 1.008000 0.423800 5.8406E+00 -1.0034E+01 -1.0469E+01 H2 4851 1.008000 0.423800 7.1575E+00 -1.0998E+01 -1.0409E+01 O6 4852 15.999400 -0.847600 -6.7311E+00 -1.3049E+01 1.7638E+01 H1 4853 1.008000 0.423800 -6.3679E+00 -1.3272E+01 1.8543E+01 H2 4854 1.008000 0.423800 -6.4879E+00 -1.3773E+01 1.6994E+01 O6 4855 15.999400 -0.847600 -1.6703E+01 5.1345E+00 3.7139E+00 H1 4856 1.008000 0.423800 -1.7490E+01 4.6683E+00 4.1164E+00 H2 4857 1.008000 0.423800 -1.5863E+01 4.6608E+00 3.9801E+00 O6 4858 15.999400 -0.847600 6.8614E+00 1.8234E+01 1.5705E+01 H1 4859 1.008000 0.423800 6.4437E+00 1.8570E+01 1.4861E+01 H2 4860 1.008000 0.423800 7.8438E+00 1.8111E+01 1.5565E+01 O6 4861 15.999400 -0.847600 1.6578E+01 -6.2465E+00 1.3983E+01 H1 4862 1.008000 0.423800 1.6295E+01 -6.4537E+00 1.3047E+01 H2 4863 1.008000 0.423800 1.5771E+01 -6.1795E+00 1.4569E+01 O6 4864 15.999400 -0.847600 1.5666E+01 -6.8199E+00 1.6936E+00 H1 4865 1.008000 0.423800 1.6301E+01 -6.1812E+00 1.2593E+00 H2 4866 1.008000 0.423800 1.5088E+01 -6.3252E+00 2.3424E+00 O6 4867 15.999400 -0.847600 8.4709E+00 -7.8159E+00 1.9975E+00 H1 4868 1.008000 0.423800 8.7782E+00 -6.8646E+00 1.9723E+00 H2 4869 1.008000 0.423800 9.2245E+00 -8.4018E+00 2.2953E+00 O6 4870 15.999400 -0.847600 1.8736E+01 -8.5592E+00 -1.9023E+01 H1 4871 1.008000 0.423800 1.9263E+01 -9.3954E+00 -1.9175E+01 H2 4872 1.008000 0.423800 1.7768E+01 -8.7390E+00 -1.9199E+01 O6 4873 15.999400 -0.847600 -1.7948E+01 1.3421E+01 9.1732E+00 H1 4874 1.008000 0.423800 -1.8531E+01 1.4234E+01 9.1722E+00 H2 4875 1.008000 0.423800 -1.7673E+01 1.3210E+01 1.0111E+01 O6 4876 15.999400 -0.847600 -3.8511E+00 -9.0823E+00 1.8740E+01 H1 4877 1.008000 0.423800 -3.0709E+00 -9.4747E+00 1.9227E+01 H2 4878 1.008000 0.423800 -4.6751E+00 -9.6075E+00 1.8952E+01 O6 4879 15.999400 -0.847600 -1.4107E+01 -8.9029E+00 1.9029E+01 H1 4880 1.008000 0.423800 -1.3877E+01 -9.8755E+00 1.9064E+01 H2 4881 1.008000 0.423800 -1.3661E+01 -8.4274E+00 -1.9310E+01 O6 4882 15.999400 -0.847600 1.7200E+01 1.2461E+00 4.4928E+00 H1 4883 1.008000 0.423800 1.6534E+01 1.1469E+00 5.2317E+00 H2 4884 1.008000 0.423800 1.8120E+01 1.0860E+00 4.8501E+00 O6 4885 15.999400 -0.847600 -4.3961E+00 -1.7309E+01 -1.5420E+01 H1 4886 1.008000 0.423800 -5.0723E+00 -1.6762E+01 -1.5913E+01 H2 4887 1.008000 0.423800 -4.8487E+00 -1.7815E+01 -1.4686E+01 O6 4888 15.999400 -0.847600 1.0198E+01 -7.4433E+00 -8.8746E+00 H1 4889 1.008000 0.423800 9.3588E+00 -7.8406E+00 -8.5027E+00 H2 4890 1.008000 0.423800 1.0979E+01 -7.7401E+00 -8.3255E+00 O6 4891 15.999400 -0.847600 -3.4807E+00 -1.1381E+01 -3.8742E+00 H1 4892 1.008000 0.423800 -2.7248E+00 -1.0882E+01 -4.2980E+00 H2 4893 1.008000 0.423800 -3.5534E+00 -1.1121E+01 -2.9113E+00 O6 4894 15.999400 -0.847600 1.0163E+01 -1.7217E+00 -1.6766E+01 H1 4895 1.008000 0.423800 9.9815E+00 -1.8399E+00 -1.5790E+01 H2 4896 1.008000 0.423800 9.3147E+00 -1.4751E+00 -1.7235E+01 O6 4897 15.999400 -0.847600 1.5292E+01 1.7336E+01 -7.1441E+00 H1 4898 1.008000 0.423800 1.4485E+01 1.6881E+01 -6.7657E+00 H2 4899 1.008000 0.423800 1.5382E+01 1.8246E+01 -6.7398E+00 O6 4900 15.999400 -0.847600 -5.2325E+00 -1.4510E+01 1.5850E+01 H1 4901 1.008000 0.423800 -5.6445E+00 -1.5416E+01 1.5748E+01 H2 4902 1.008000 0.423800 -4.6911E+00 -1.4483E+01 1.6690E+01 O6 4903 15.999400 -0.847600 8.6199E-01 1.5326E+01 -1.7807E+01 H1 4904 1.008000 0.423800 2.4784E-01 1.5276E+01 -1.8594E+01 H2 4905 1.008000 0.423800 1.0913E+00 1.4401E+01 -1.7504E+01 O6 4906 15.999400 -0.847600 -7.8069E+00 -1.4944E+01 -3.5565E+00 H1 4907 1.008000 0.423800 -8.6041E+00 -1.5357E+01 -3.1168E+00 H2 4908 1.008000 0.423800 -6.9825E+00 -1.5181E+01 -3.0425E+00 O6 4909 15.999400 -0.847600 -1.6660E+00 -8.0923E+00 -1.6068E+01 H1 4910 1.008000 0.423800 -6.8945E-01 -8.1800E+00 -1.5872E+01 H2 4911 1.008000 0.423800 -2.1397E+00 -7.7483E+00 -1.5258E+01 O6 4912 15.999400 -0.847600 9.5449E+00 -1.4091E+01 1.2278E+01 H1 4913 1.008000 0.423800 8.7575E+00 -1.3854E+01 1.1709E+01 H2 4914 1.008000 0.423800 9.3802E+00 -1.4969E+01 1.2727E+01 O6 4915 15.999400 -0.847600 -3.1110E+00 4.8622E+00 -9.1516E+00 H1 4916 1.008000 0.423800 -3.9397E+00 5.2415E+00 -9.5632E+00 H2 4917 1.008000 0.423800 -3.3238E+00 4.5063E+00 -8.2417E+00 O6 4918 15.999400 -0.847600 -2.8734E-01 -1.3574E+01 -6.5906E+00 H1 4919 1.008000 0.423800 -7.1154E-01 -1.2668E+01 -6.5885E+00 H2 4920 1.008000 0.423800 -9.9887E-01 -1.4275E+01 -6.5489E+00 O6 4921 15.999400 -0.847600 1.7851E+01 -1.7111E+01 1.0868E+00 H1 4922 1.008000 0.423800 1.6862E+01 -1.7141E+01 9.4236E-01 H2 4923 1.008000 0.423800 1.8044E+01 -1.6759E+01 2.0026E+00 O6 4924 15.999400 -0.847600 1.7372E+01 -8.2452E+00 1.0156E+01 H1 4925 1.008000 0.423800 1.7525E+01 -8.5555E+00 1.1095E+01 H2 4926 1.008000 0.423800 1.7985E+01 -7.4819E+00 9.9536E+00 O6 4927 15.999400 -0.847600 -9.1221E+00 -2.0442E-01 1.6428E+00 H1 4928 1.008000 0.423800 -8.1874E+00 -5.5117E-01 1.5650E+00 H2 4929 1.008000 0.423800 -9.1501E+00 5.2859E-01 2.3225E+00 O6 4930 15.999400 -0.847600 6.3322E+00 5.5342E+00 7.6185E+00 H1 4931 1.008000 0.423800 6.2085E+00 6.4916E+00 7.3573E+00 H2 4932 1.008000 0.423800 5.4961E+00 5.0235E+00 7.4186E+00 O6 4933 15.999400 -0.847600 -7.4901E+00 -1.7560E+01 8.6375E+00 H1 4934 1.008000 0.423800 -6.6806E+00 -1.7517E+01 9.2230E+00 H2 4935 1.008000 0.423800 -7.4620E+00 -1.6813E+01 7.9740E+00 O6 4936 15.999400 -0.847600 -1.4368E+01 -1.8141E+01 -1.8157E+01 H1 4937 1.008000 0.423800 -1.3552E+01 -1.7644E+01 -1.7864E+01 H2 4938 1.008000 0.423800 -1.5161E+01 -1.7812E+01 -1.7645E+01 O6 4939 15.999400 -0.847600 1.4564E+01 1.3071E+01 -1.6570E+01 H1 4940 1.008000 0.423800 1.5528E+01 1.3242E+01 -1.6369E+01 H2 4941 1.008000 0.423800 1.4461E+01 1.2154E+01 -1.6956E+01 O6 4942 15.999400 -0.847600 8.9759E+00 -7.6955E+00 1.2993E+01 H1 4943 1.008000 0.423800 9.7625E+00 -7.1025E+00 1.3164E+01 H2 4944 1.008000 0.423800 8.1443E+00 -7.1420E+00 1.2949E+01 O6 4945 15.999400 -0.847600 1.0564E+01 -1.3541E+01 3.6171E+00 H1 4946 1.008000 0.423800 1.0701E+01 -1.4135E+01 4.4102E+00 H2 4947 1.008000 0.423800 1.1273E+01 -1.3726E+01 2.9363E+00 O6 4948 15.999400 -0.847600 -9.9632E-01 -5.5565E+00 9.7924E+00 H1 4949 1.008000 0.423800 -4.9279E-01 -5.6571E+00 1.0651E+01 H2 4950 1.008000 0.423800 -4.3825E-01 -5.0488E+00 9.1362E+00 O6 4951 15.999400 -0.847600 1.7843E+01 -1.1565E+01 -1.6715E+01 H1 4952 1.008000 0.423800 1.6868E+01 -1.1355E+01 -1.6786E+01 H2 4953 1.008000 0.423800 1.8118E+01 -1.2135E+01 -1.7489E+01 O6 4954 15.999400 -0.847600 -1.3380E+01 -6.8757E+00 2.0659E+00 H1 4955 1.008000 0.423800 -1.2625E+01 -6.2484E+00 1.8765E+00 H2 4956 1.008000 0.423800 -1.3022E+01 -7.7138E+00 2.4776E+00 O6 4957 15.999400 -0.847600 -1.7667E+01 -1.2434E+01 1.5764E+01 H1 4958 1.008000 0.423800 -1.7376E+01 -1.1502E+01 1.5979E+01 H2 4959 1.008000 0.423800 -1.7085E+01 -1.2807E+01 1.5041E+01 O6 4960 15.999400 -0.847600 -1.4856E-01 8.8950E+00 1.3316E+01 H1 4961 1.008000 0.423800 -7.2710E-01 8.9065E+00 1.2500E+01 H2 4962 1.008000 0.423800 8.0485E-01 9.0377E+00 1.3050E+01 O6 4963 15.999400 -0.847600 3.2663E+00 -1.6304E+01 1.4497E+00 H1 4964 1.008000 0.423800 2.4591E+00 -1.5815E+01 1.1193E+00 H2 4965 1.008000 0.423800 3.8308E+00 -1.5685E+01 1.9957E+00 O6 4966 15.999400 -0.847600 5.2258E+00 -1.8961E+01 -1.2358E+01 H1 4967 1.008000 0.423800 5.5667E+00 -1.8064E+01 -1.2639E+01 H2 4968 1.008000 0.423800 5.5072E+00 -1.9145E+01 -1.1416E+01 O6 4969 15.999400 -0.847600 1.0412E+01 1.8746E+01 -1.1491E+01 H1 4970 1.008000 0.423800 1.0853E+01 -1.9454E+01 -1.1467E+01 H2 4971 1.008000 0.423800 9.4517E+00 1.8853E+01 -1.1748E+01 O6 4972 15.999400 -0.847600 1.0117E+01 -1.4741E+01 -3.0508E+00 H1 4973 1.008000 0.423800 1.0027E+01 -1.5638E+01 -3.4823E+00 H2 4974 1.008000 0.423800 1.0181E+01 -1.4853E+01 -2.0591E+00 O6 4975 15.999400 -0.847600 -9.8092E+00 3.4130E+00 -9.7666E+00 H1 4976 1.008000 0.423800 -1.0579E+01 3.9756E+00 -9.4648E+00 H2 4977 1.008000 0.423800 -9.9806E+00 2.4574E+00 -9.5269E+00 O6 4978 15.999400 -0.847600 -1.2073E+01 3.8994E+00 -1.8234E+01 H1 4979 1.008000 0.423800 -1.1864E+01 3.3884E+00 -1.7400E+01 H2 4980 1.008000 0.423800 -1.2713E+01 4.6382E+00 -1.8020E+01 O6 4981 15.999400 -0.847600 -1.5422E+01 6.7043E+00 1.8410E+01 H1 4982 1.008000 0.423800 -1.4510E+01 6.8975E+00 1.8048E+01 H2 4983 1.008000 0.423800 -1.5501E+01 7.0816E+00 1.9332E+01 O6 4984 15.999400 -0.847600 1.3980E+01 4.5423E+00 1.4103E+01 H1 4985 1.008000 0.423800 1.3970E+01 3.6434E+00 1.4541E+01 H2 4986 1.008000 0.423800 1.3128E+01 5.0231E+00 1.4310E+01 O6 4987 15.999400 -0.847600 -2.0288E+00 7.1307E+00 -1.0840E+01 H1 4988 1.008000 0.423800 -1.5278E+00 6.9177E+00 -1.1679E+01 H2 4989 1.008000 0.423800 -2.1665E+00 6.2927E+00 -1.0312E+01 O6 4990 15.999400 -0.847600 -5.3378E+00 -1.6441E+01 -9.4015E+00 H1 4991 1.008000 0.423800 -5.9097E+00 -1.7021E+01 -9.9821E+00 H2 4992 1.008000 0.423800 -5.7437E+00 -1.5530E+01 -9.3376E+00 O6 4993 15.999400 -0.847600 -1.6382E+01 -3.8909E+00 1.0782E+01 H1 4994 1.008000 0.423800 -1.6435E+01 -3.7369E+00 1.1769E+01 H2 4995 1.008000 0.423800 -1.5891E+01 -4.7440E+00 1.0604E+01 O6 4996 15.999400 -0.847600 -5.6647E+00 -1.1886E+01 1.0220E+00 H1 4997 1.008000 0.423800 -5.6707E+00 -1.2148E+01 1.9869E+00 H2 4998 1.008000 0.423800 -4.7325E+00 -1.1948E+01 6.6535E-01 O6 4999 15.999400 -0.847600 -4.4991E+00 1.8550E+01 -1.8047E+01 H1 5000 1.008000 0.423800 -4.1059E+00 1.9203E+01 -1.8695E+01 H2 5001 1.008000 0.423800 -4.5296E+00 1.7643E+01 -1.8466E+01 O6 5002 15.999400 -0.847600 4.0420E+00 1.7218E+01 1.1482E+01 H1 5003 1.008000 0.423800 3.2830E+00 1.7708E+01 1.1910E+01 H2 5004 1.008000 0.423800 4.3059E+00 1.7684E+01 1.0638E+01 O6 5005 15.999400 -0.847600 1.8458E+01 -1.1808E+01 6.7903E+00 H1 5006 1.008000 0.423800 1.7959E+01 -1.2651E+01 6.5893E+00 H2 5007 1.008000 0.423800 1.9438E+01 -1.2003E+01 6.8304E+00 O6 5008 15.999400 -0.847600 4.2459E+00 -1.1388E+01 8.2969E+00 H1 5009 1.008000 0.423800 5.1070E+00 -1.0945E+01 8.5459E+00 H2 5010 1.008000 0.423800 4.4339E+00 -1.2300E+01 7.9313E+00 O6 5011 15.999400 -0.847600 -1.5900E+01 -1.3731E+01 -1.3621E+01 H1 5012 1.008000 0.423800 -1.6200E+01 -1.4578E+01 -1.3182E+01 H2 5013 1.008000 0.423800 -1.6319E+01 -1.3657E+01 -1.4526E+01 O6 5014 15.999400 -0.847600 -1.2775E+01 1.6092E+01 -1.6572E+01 H1 5015 1.008000 0.423800 -1.3135E+01 1.5831E+01 -1.7467E+01 H2 5016 1.008000 0.423800 -1.3532E+01 1.6337E+01 -1.5966E+01 O6 5017 15.999400 -0.847600 -1.0624E+00 -8.4160E+00 4.8172E+00 H1 5018 1.008000 0.423800 -1.1906E+00 -9.0018E+00 5.6175E+00 H2 5019 1.008000 0.423800 -8.4991E-01 -7.4856E+00 5.1157E+00 O6 5020 15.999400 -0.847600 -1.5053E+01 3.2654E+00 -1.9212E+01 H1 5021 1.008000 0.423800 -1.5697E+01 3.7042E+00 1.9259E+01 H2 5022 1.008000 0.423800 -1.4228E+01 3.0040E+00 1.9386E+01 O6 5023 15.999400 -0.847600 -1.7245E+01 -1.1227E+01 -1.7897E+01 H1 5024 1.008000 0.423800 -1.7810E+01 -1.0987E+01 -1.8686E+01 H2 5025 1.008000 0.423800 -1.6661E+01 -1.0451E+01 -1.7657E+01 O6 5026 15.999400 -0.847600 1.6496E+01 -1.4184E+01 -1.3971E+01 H1 5027 1.008000 0.423800 1.7326E+01 -1.4235E+01 -1.3415E+01 H2 5028 1.008000 0.423800 1.5864E+01 -1.4908E+01 -1.3695E+01 O6 5029 15.999400 -0.847600 -5.1945E+00 -8.0003E+00 8.7438E+00 H1 5030 1.008000 0.423800 -5.5839E+00 -8.8988E+00 8.5407E+00 H2 5031 1.008000 0.423800 -4.3712E+00 -8.1121E+00 9.3002E+00 O6 5032 15.999400 -0.847600 1.8788E+01 7.5670E+00 3.9442E+00 H1 5033 1.008000 0.423800 1.8573E+01 7.6567E+00 2.9717E+00 H2 5034 1.008000 0.423800 -1.9341E+01 7.3408E+00 4.0519E+00 O6 5035 15.999400 -0.847600 4.9898E+00 -1.0746E+01 -5.6695E-01 H1 5036 1.008000 0.423800 5.9706E+00 -1.0845E+01 -7.3522E-01 H2 5037 1.008000 0.423800 4.8452E+00 -1.0139E+01 2.1456E-01 O6 5038 15.999400 -0.847600 1.0560E+01 -1.8471E+01 1.4412E-02 H1 5039 1.008000 0.423800 1.1174E+01 -1.9259E+01 3.7305E-02 H2 5040 1.008000 0.423800 9.6689E+00 -1.8753E+01 -3.4204E-01 O6 5041 15.999400 -0.847600 4.2293E+00 1.8838E+00 -7.8648E+00 H1 5042 1.008000 0.423800 3.4230E+00 2.1036E+00 -7.3156E+00 H2 5043 1.008000 0.423800 4.9738E+00 1.5949E+00 -7.2629E+00 O6 5044 15.999400 -0.847600 3.2989E+00 9.1970E+00 1.3145E+01 H1 5045 1.008000 0.423800 3.9994E+00 9.7991E+00 1.3528E+01 H2 5046 1.008000 0.423800 3.4984E+00 8.2504E+00 1.3398E+01 O6 5047 15.999400 -0.847600 -1.8278E+01 -5.9164E+00 -1.1492E+01 H1 5048 1.008000 0.423800 -1.8328E+01 -6.5396E+00 -1.2273E+01 H2 5049 1.008000 0.423800 -1.8743E+01 -6.3263E+00 -1.0708E+01 O6 5050 15.999400 -0.847600 -1.1480E+01 5.2462E+00 1.5887E+01 H1 5051 1.008000 0.423800 -1.0613E+01 4.9473E+00 1.6284E+01 H2 5052 1.008000 0.423800 -1.1410E+01 5.2412E+00 1.4890E+01 O6 5053 15.999400 -0.847600 -1.5890E+01 -1.6040E+01 2.3004E+00 H1 5054 1.008000 0.423800 -1.6151E+01 -1.6846E+01 2.8319E+00 H2 5055 1.008000 0.423800 -1.4901E+01 -1.5908E+01 2.3590E+00 O6 5056 15.999400 -0.847600 -1.9134E+01 1.0352E+00 -1.6946E+00 H1 5057 1.008000 0.423800 -1.8578E+01 2.0987E-01 -1.7913E+00 H2 5058 1.008000 0.423800 -1.8549E+01 1.8036E+00 -1.4366E+00 O6 5059 15.999400 -0.847600 6.1451E+00 8.8335E+00 -5.1167E+00 H1 5060 1.008000 0.423800 5.3312E+00 9.3608E+00 -5.3608E+00 H2 5061 1.008000 0.423800 6.9553E+00 9.4137E+00 -5.1998E+00 O6 5062 15.999400 -0.847600 5.7516E+00 -1.9096E+01 6.3276E+00 H1 5063 1.008000 0.423800 4.8377E+00 -1.9376E+01 6.6220E+00 H2 5064 1.008000 0.423800 5.7301E+00 -1.8856E+01 5.3573E+00 O6 5065 15.999400 -0.847600 1.2682E+01 1.2988E+01 2.9002E+00 H1 5066 1.008000 0.423800 1.1945E+01 1.2395E+01 3.2234E+00 H2 5067 1.008000 0.423800 1.2900E+01 1.2762E+01 1.9510E+00 O6 5068 15.999400 -0.847600 -1.5000E+01 1.0619E+01 4.7165E+00 H1 5069 1.008000 0.423800 -1.4428E+01 1.0752E+01 3.9066E+00 H2 5070 1.008000 0.423800 -1.5762E+01 1.0013E+01 4.4906E+00 O6 5071 15.999400 -0.847600 -1.1303E+01 9.1231E+00 9.7048E+00 H1 5072 1.008000 0.423800 -1.0549E+01 8.8581E+00 1.0306E+01 H2 5073 1.008000 0.423800 -1.1379E+01 1.0120E+01 9.6855E+00 O6 5074 15.999400 -0.847600 1.2361E+01 -9.2602E+00 1.6481E+01 H1 5075 1.008000 0.423800 1.2167E+01 -9.8741E+00 1.5715E+01 H2 5076 1.008000 0.423800 1.3153E+01 -8.6912E+00 1.6260E+01 O6 5077 15.999400 -0.847600 8.4521E+00 -1.7428E+01 1.0836E+01 H1 5078 1.008000 0.423800 9.2470E+00 -1.7055E+01 1.1314E+01 H2 5079 1.008000 0.423800 8.2120E+00 -1.8315E+01 1.1229E+01 O6 5080 15.999400 -0.847600 -5.6436E+00 -6.5131E+00 5.6920E+00 H1 5081 1.008000 0.423800 -4.9966E+00 -6.6086E+00 6.4485E+00 H2 5082 1.008000 0.423800 -6.4142E+00 -5.9458E+00 5.9821E+00 O6 5083 15.999400 -0.847600 -1.2287E+01 -3.0014E+00 -1.7796E+01 H1 5084 1.008000 0.423800 -1.3026E+01 -3.3313E+00 -1.8383E+01 H2 5085 1.008000 0.423800 -1.1407E+01 -3.1750E+00 -1.8239E+01 O6 5086 15.999400 -0.847600 -1.2663E+01 -1.1971E+01 -7.6078E+00 H1 5087 1.008000 0.423800 -1.1960E+01 -1.1334E+01 -7.2907E+00 H2 5088 1.008000 0.423800 -1.3526E+01 -1.1772E+01 -7.1438E+00 O6 5089 15.999400 -0.847600 -1.6851E+01 -7.6690E+00 -1.9205E+01 H1 5090 1.008000 0.423800 -1.7396E+01 -8.4936E+00 -1.9359E+01 H2 5091 1.008000 0.423800 -1.5887E+01 -7.8691E+00 -1.9379E+01 O6 5092 15.999400 -0.847600 -1.7763E+01 -1.2142E+01 6.9076E+00 H1 5093 1.008000 0.423800 -1.7268E+01 -1.2999E+01 7.0497E+00 H2 5094 1.008000 0.423800 -1.7543E+01 -1.1504E+01 7.6455E+00 O6 5095 15.999400 -0.847600 -1.5097E+00 -2.4505E+00 -1.8785E+01 H1 5096 1.008000 0.423800 -1.6239E+00 -1.5340E+00 -1.8402E+01 H2 5097 1.008000 0.423800 -1.3967E+00 -3.1106E+00 -1.8042E+01 O6 5098 15.999400 -0.847600 6.7124E+00 -1.8254E+01 -4.4555E+00 H1 5099 1.008000 0.423800 7.0141E+00 -1.7350E+01 -4.7569E+00 H2 5100 1.008000 0.423800 7.4412E+00 -1.8920E+01 -4.6170E+00 O6 5101 15.999400 -0.847600 6.0515E+00 -1.0040E+01 -1.8269E+01 H1 5102 1.008000 0.423800 5.9822E+00 -1.0987E+01 -1.8584E+01 H2 5103 1.008000 0.423800 6.9262E+00 -9.9073E+00 -1.7804E+01 O6 5104 15.999400 -0.847600 1.4408E+01 -1.6449E+01 -1.2796E+01 H1 5105 1.008000 0.423800 1.3542E+01 -1.6948E+01 -1.2824E+01 H2 5106 1.008000 0.423800 1.5031E+01 -1.6899E+01 -1.2156E+01 O6 5107 15.999400 -0.847600 3.9491E+00 5.1886E+00 -1.3958E+01 H1 5108 1.008000 0.423800 3.4411E+00 4.3672E+00 -1.3698E+01 H2 5109 1.008000 0.423800 4.8554E+00 4.9287E+00 -1.4291E+01 O6 5110 15.999400 -0.847600 -2.2153E+00 1.0928E+01 -4.0445E+00 H1 5111 1.008000 0.423800 -1.8504E+00 1.0218E+01 -3.4413E+00 H2 5112 1.008000 0.423800 -2.3676E+00 1.0544E+01 -4.9555E+00 O6 5113 15.999400 -0.847600 1.2512E+01 1.8278E+01 -1.8579E+01 H1 5114 1.008000 0.423800 1.3299E+01 1.8649E+01 -1.9072E+01 H2 5115 1.008000 0.423800 1.2235E+01 1.8918E+01 -1.7863E+01 O6 5116 15.999400 -0.847600 2.2809E+00 1.1976E+01 1.1934E+00 H1 5117 1.008000 0.423800 2.2303E+00 1.2041E+01 2.1900E+00 H2 5118 1.008000 0.423800 3.1616E+00 1.1583E+01 9.2935E-01 O6 5119 15.999400 -0.847600 1.1336E+01 -7.8965E+00 -1.1309E+01 H1 5120 1.008000 0.423800 1.2028E+01 -7.1789E+00 -1.1383E+01 H2 5121 1.008000 0.423800 1.0945E+01 -7.8890E+00 -1.0389E+01 O6 5122 15.999400 -0.847600 -2.8706E+00 1.8077E+01 -3.1229E+00 H1 5123 1.008000 0.423800 -3.7591E+00 1.7643E+01 -3.2712E+00 H2 5124 1.008000 0.423800 -2.3067E+00 1.7971E+01 -3.9419E+00 O6 5125 15.999400 -0.847600 2.1266E-01 -1.6375E+01 4.1354E+00 H1 5126 1.008000 0.423800 1.1490E+00 -1.6681E+01 4.3087E+00 H2 5127 1.008000 0.423800 9.1258E-02 -1.6212E+01 3.1564E+00 O6 5128 15.999400 -0.847600 -2.0122E+00 2.1820E+00 -9.5717E+00 H1 5129 1.008000 0.423800 -2.2178E+00 1.7020E+00 -1.0425E+01 H2 5130 1.008000 0.423800 -2.4085E+00 3.0996E+00 -9.6019E+00 O6 5131 15.999400 -0.847600 -3.4651E+00 1.1012E+00 1.5815E+01 H1 5132 1.008000 0.423800 -2.4839E+00 1.1131E+00 1.5622E+01 H2 5133 1.008000 0.423800 -3.6278E+00 1.4498E+00 1.6738E+01 O6 5134 15.999400 -0.847600 1.3306E+01 -1.8988E+01 1.0475E+01 H1 5135 1.008000 0.423800 1.4178E+01 -1.8532E+01 1.0656E+01 H2 5136 1.008000 0.423800 1.3241E+01 1.9282E+01 1.1032E+01 O6 5137 15.999400 -0.847600 7.7918E+00 1.6314E+01 -3.2900E+00 H1 5138 1.008000 0.423800 8.2236E+00 1.5952E+01 -4.1161E+00 H2 5139 1.008000 0.423800 6.8358E+00 1.6022E+01 -3.2584E+00 O6 5140 15.999400 -0.847600 8.0224E+00 -9.8206E+00 -4.6358E+00 H1 5141 1.008000 0.423800 7.6177E+00 -1.0296E+01 -5.4171E+00 H2 5142 1.008000 0.423800 8.5653E+00 -1.0466E+01 -4.0981E+00 O6 5143 15.999400 -0.847600 1.5587E+00 -1.3651E+01 2.0760E+00 H1 5144 1.008000 0.423800 1.1007E+00 -1.3072E+01 2.7506E+00 H2 5145 1.008000 0.423800 2.1122E+00 -1.3081E+01 1.4687E+00 O6 5146 15.999400 -0.847600 -1.4406E+01 1.2153E+01 -5.7347E+00 H1 5147 1.008000 0.423800 -1.3791E+01 1.1809E+01 -5.0250E+00 H2 5148 1.008000 0.423800 -1.5189E+01 1.2604E+01 -5.3069E+00 O6 5149 15.999400 -0.847600 8.6883E+00 1.4527E+01 -1.1834E+01 H1 5150 1.008000 0.423800 9.2128E+00 1.4723E+01 -1.2662E+01 H2 5151 1.008000 0.423800 9.2825E+00 1.4090E+01 -1.1159E+01 O6 5152 15.999400 -0.847600 -1.5007E+01 1.0506E+01 5.6253E-02 H1 5153 1.008000 0.423800 -1.4288E+01 1.0074E+01 -4.8798E-01 H2 5154 1.008000 0.423800 -1.4606E+01 1.0911E+01 8.7748E-01 O6 5155 15.999400 -0.847600 -1.3196E+01 1.8908E+01 -7.3548E+00 H1 5156 1.008000 0.423800 -1.3950E+01 1.8265E+01 -7.4863E+00 H2 5157 1.008000 0.423800 -1.2362E+01 1.8403E+01 -7.1320E+00 O6 5158 15.999400 -0.847600 -1.8573E+01 3.0760E-01 -1.8999E+01 H1 5159 1.008000 0.423800 -1.9280E+01 -3.7134E-02 1.9481E+01 H2 5160 1.008000 0.423800 -1.8449E+01 1.2886E+00 -1.9148E+01 O6 5161 15.999400 -0.847600 2.2115E+00 8.6822E+00 -1.8520E+01 H1 5162 1.008000 0.423800 2.1261E+00 9.6362E+00 -1.8233E+01 H2 5163 1.008000 0.423800 3.1014E+00 8.3265E+00 -1.8235E+01 O6 5164 15.999400 -0.847600 -4.9032E+00 -1.4415E+01 1.2530E+01 H1 5165 1.008000 0.423800 -5.2414E+00 -1.3638E+01 1.3061E+01 H2 5166 1.008000 0.423800 -5.4075E+00 -1.5239E+01 1.2788E+01 O6 5167 15.999400 -0.847600 7.8843E+00 -4.5580E+00 8.3208E-01 H1 5168 1.008000 0.423800 8.0998E+00 -4.5243E+00 -1.4385E-01 H2 5169 1.008000 0.423800 6.9040E+00 -4.4096E+00 9.6220E-01 O6 5170 15.999400 -0.847600 -1.2647E+01 -1.4667E+01 1.4566E+01 H1 5171 1.008000 0.423800 -1.1657E+01 -1.4765E+01 1.4664E+01 H2 5172 1.008000 0.423800 -1.3089E+01 -1.5546E+01 1.4748E+01 O6 5173 15.999400 -0.847600 -5.8047E+00 -1.8897E+01 -1.3610E+01 H1 5174 1.008000 0.423800 -6.5202E+00 -1.9485E+01 -1.3988E+01 H2 5175 1.008000 0.423800 -5.2541E+00 -1.9419E+01 -1.2958E+01 O6 5176 15.999400 -0.847600 5.8247E+00 1.8582E+01 -1.8201E+01 H1 5177 1.008000 0.423800 4.9606E+00 1.8219E+01 -1.7852E+01 H2 5178 1.008000 0.423800 5.6384E+00 1.9272E+01 -1.8901E+01 O6 5179 15.999400 -0.847600 1.0812E+01 8.1215E+00 4.5483E+00 H1 5180 1.008000 0.423800 1.0276E+01 7.8778E+00 3.7394E+00 H2 5181 1.008000 0.423800 1.1674E+01 8.5408E+00 4.2636E+00 O6 5182 15.999400 -0.847600 9.1231E+00 5.2515E+00 8.6344E+00 H1 5183 1.008000 0.423800 9.4280E+00 5.8769E+00 7.9161E+00 H2 5184 1.008000 0.423800 8.1279E+00 5.3006E+00 8.7187E+00 O6 5185 15.999400 -0.847600 -1.3947E+01 -8.9370E+00 -7.6170E+00 H1 5186 1.008000 0.423800 -1.4270E+01 -9.4972E+00 -6.8543E+00 H2 5187 1.008000 0.423800 -1.3616E+01 -9.5312E+00 -8.3502E+00 O6 5188 15.999400 -0.847600 1.7437E+01 -4.4130E+00 4.1562E-01 H1 5189 1.008000 0.423800 1.8303E+01 -3.9247E+00 3.0995E-01 H2 5190 1.008000 0.423800 1.6943E+01 -4.4070E+00 -4.5372E-01 O6 5191 15.999400 -0.847600 6.3195E+00 -3.3133E+00 3.9393E+00 H1 5192 1.008000 0.423800 7.2151E+00 -3.4584E+00 4.3598E+00 H2 5193 1.008000 0.423800 5.6118E+00 -3.3383E+00 4.6454E+00 O6 5194 15.999400 -0.847600 1.2499E+01 1.1442E+01 1.0575E+01 H1 5195 1.008000 0.423800 1.2753E+01 1.2401E+01 1.0699E+01 H2 5196 1.008000 0.423800 1.3062E+01 1.0868E+01 1.1170E+01 O6 5197 15.999400 -0.847600 -7.6688E+00 7.0604E+00 -1.6914E+01 H1 5198 1.008000 0.423800 -7.8325E+00 6.6927E+00 -1.7829E+01 H2 5199 1.008000 0.423800 -8.4945E+00 7.5200E+00 -1.6587E+01 O6 5200 15.999400 -0.847600 1.5923E+01 -1.3333E+01 9.4290E+00 H1 5201 1.008000 0.423800 1.5405E+01 -1.3236E+01 8.5791E+00 H2 5202 1.008000 0.423800 1.6049E+01 -1.2433E+01 9.8475E+00 O6 5203 15.999400 -0.847600 6.1316E+00 1.2857E+01 1.5525E+01 H1 5204 1.008000 0.423800 6.4278E+00 1.3780E+01 1.5770E+01 H2 5205 1.008000 0.423800 6.0802E+00 1.2776E+01 1.4530E+01 O6 5206 15.999400 -0.847600 4.7811E+00 -8.5869E+00 1.1390E+01 H1 5207 1.008000 0.423800 5.0606E+00 -9.5346E+00 1.1544E+01 H2 5208 1.008000 0.423800 4.8601E+00 -8.3704E+00 1.0417E+01 O6 5209 15.999400 -0.847600 1.3035E+01 -1.2981E+01 -2.5194E+00 H1 5210 1.008000 0.423800 1.2699E+01 -1.3672E+01 -3.1585E+00 H2 5211 1.008000 0.423800 1.3258E+01 -1.3414E+01 -1.6460E+00 O6 5212 15.999400 -0.847600 -1.1495E+01 1.2243E+01 1.6091E+01 H1 5213 1.008000 0.423800 -1.0625E+01 1.2533E+01 1.6489E+01 H2 5214 1.008000 0.423800 -1.2159E+01 1.2987E+01 1.6164E+01 O6 5215 15.999400 -0.847600 1.5914E+01 -1.0173E+01 1.3347E+01 H1 5216 1.008000 0.423800 1.6628E+01 -9.5837E+00 1.2969E+01 H2 5217 1.008000 0.423800 1.5475E+01 -9.7113E+00 1.4118E+01 O6 5218 15.999400 -0.847600 -6.4689E+00 -1.2235E+00 1.3177E+01 H1 5219 1.008000 0.423800 -6.6628E+00 -2.1561E+00 1.2873E+01 H2 5220 1.008000 0.423800 -6.8765E+00 -1.0755E+00 1.4078E+01 O6 5221 15.999400 -0.847600 -8.4417E+00 8.4209E+00 1.1253E+00 H1 5222 1.008000 0.423800 -7.6074E+00 8.9653E+00 1.2122E+00 H2 5223 1.008000 0.423800 -8.7695E+00 8.1659E+00 2.0350E+00 O6 5224 15.999400 -0.847600 -9.4624E+00 -4.7227E+00 -1.0914E+01 H1 5225 1.008000 0.423800 -1.0024E+01 -5.3423E+00 -1.0366E+01 H2 5226 1.008000 0.423800 -9.6084E+00 -4.9120E+00 -1.1885E+01 O6 5227 15.999400 -0.847600 -1.6918E+01 1.6385E+01 -1.1885E+01 H1 5228 1.008000 0.423800 -1.7670E+01 1.5726E+01 -1.1890E+01 H2 5229 1.008000 0.423800 -1.6066E+01 1.5920E+01 -1.2127E+01 O6 5230 15.999400 -0.847600 9.5590E+00 -1.1792E+01 -1.8932E+01 H1 5231 1.008000 0.423800 1.0257E+01 -1.1325E+01 -1.9474E+01 H2 5232 1.008000 0.423800 9.6415E+00 -1.1516E+01 -1.7974E+01 O6 5233 15.999400 -0.847600 -6.3331E+00 -4.2755E+00 1.4135E+01 H1 5234 1.008000 0.423800 -6.1014E+00 -4.2197E+00 1.5106E+01 H2 5235 1.008000 0.423800 -7.2954E+00 -4.5289E+00 1.4036E+01 O6 5236 15.999400 -0.847600 7.3485E+00 9.5582E+00 -8.8002E+00 H1 5237 1.008000 0.423800 7.5552E+00 8.7429E+00 -9.3411E+00 H2 5238 1.008000 0.423800 7.3134E+00 1.0357E+01 -9.4012E+00 O6 5239 15.999400 -0.847600 4.6855E-01 -2.5529E+00 1.0714E+01 H1 5240 1.008000 0.423800 -2.7542E-01 -1.8848E+00 1.0728E+01 H2 5241 1.008000 0.423800 4.0315E-01 -3.1068E+00 9.8836E+00 O6 5242 15.999400 -0.847600 -1.9917E+00 -3.8324E+00 1.4323E+01 H1 5243 1.008000 0.423800 -2.4943E+00 -3.8381E+00 1.5188E+01 H2 5244 1.008000 0.423800 -1.2196E+00 -3.2006E+00 1.4391E+01 O6 5245 15.999400 -0.847600 -1.9477E+01 -1.6092E+01 -4.4153E-01 H1 5246 1.008000 0.423800 1.9343E+01 -1.6256E+01 -1.3881E+00 H2 5247 1.008000 0.423800 1.8958E+01 -1.6513E+01 1.7798E-01 O6 5248 15.999400 -0.847600 -1.5075E+01 1.7584E+01 1.1138E+00 H1 5249 1.008000 0.423800 -1.4837E+01 1.6959E+01 1.8577E+00 H2 5250 1.008000 0.423800 -1.6061E+01 1.7545E+01 9.4873E-01 O6 5251 15.999400 -0.847600 1.3666E+01 -6.3839E-01 5.9012E+00 H1 5252 1.008000 0.423800 1.3146E+01 -2.1325E-01 5.1607E+00 H2 5253 1.008000 0.423800 1.4315E+01 2.4092E-02 6.2755E+00 O6 5254 15.999400 -0.847600 -1.3298E+00 1.8724E+01 5.7887E+00 H1 5255 1.008000 0.423800 -4.7142E-01 1.8632E+01 6.2934E+00 H2 5256 1.008000 0.423800 -1.1413E+00 1.9075E+01 4.8718E+00 O6 5257 15.999400 -0.847600 1.6767E+01 1.0931E+01 1.9214E+01 H1 5258 1.008000 0.423800 1.7059E+01 1.1447E+01 -1.9078E+01 H2 5259 1.008000 0.423800 1.6837E+01 9.9519E+00 1.9403E+01 O6 5260 15.999400 -0.847600 7.8617E+00 -2.0969E+00 9.5944E+00 H1 5261 1.008000 0.423800 7.6012E+00 -1.3371E+00 8.9986E+00 H2 5262 1.008000 0.423800 7.5239E+00 -1.9256E+00 1.0520E+01 O6 5263 15.999400 -0.847600 3.3038E+00 1.2957E+01 -5.8651E+00 H1 5264 1.008000 0.423800 2.4282E+00 1.3404E+01 -6.0480E+00 H2 5265 1.008000 0.423800 4.0264E+00 1.3415E+01 -6.3830E+00 O6 5266 15.999400 -0.847600 1.0154E+01 -8.1021E+00 1.9083E+01 H1 5267 1.008000 0.423800 9.3561E+00 -8.6423E+00 1.8815E+01 H2 5268 1.008000 0.423800 1.0913E+01 -8.7148E+00 1.9301E+01 O6 5269 15.999400 -0.847600 7.3551E+00 -1.6469E+01 6.2361E+00 H1 5270 1.008000 0.423800 8.2109E+00 -1.6943E+01 6.0290E+00 H2 5271 1.008000 0.423800 6.6179E+00 -1.7138E+01 6.3302E+00 O6 5272 15.999400 -0.847600 2.8959E+00 -1.0118E+01 1.4658E+01 H1 5273 1.008000 0.423800 2.8097E+00 -1.0096E+01 1.5654E+01 H2 5274 1.008000 0.423800 2.9266E+00 -9.1826E+00 1.4305E+01 O6 5275 15.999400 -0.847600 -1.0827E+01 1.8427E+01 -1.1280E+01 H1 5276 1.008000 0.423800 -1.1810E+01 1.8526E+01 -1.1439E+01 H2 5277 1.008000 0.423800 -1.0500E+01 1.7593E+01 -1.1725E+01 O6 5278 15.999400 -0.847600 -1.0236E+01 -1.0906E+00 1.8979E+01 H1 5279 1.008000 0.423800 -9.8506E+00 -1.9802E-01 1.8746E+01 H2 5280 1.008000 0.423800 -1.1119E+01 -1.2021E+00 1.8523E+01 O6 5281 15.999400 -0.847600 1.3325E+01 1.4713E+01 -1.4564E+01 H1 5282 1.008000 0.423800 1.3842E+01 1.4603E+01 -1.3715E+01 H2 5283 1.008000 0.423800 1.3812E+01 1.4262E+01 -1.5311E+01 O6 5284 15.999400 -0.847600 -1.3403E+01 2.6972E+00 1.2523E+01 H1 5285 1.008000 0.423800 -1.4321E+01 2.3720E+00 1.2749E+01 H2 5286 1.008000 0.423800 -1.3409E+01 3.6953E+00 1.2462E+01 O6 5287 15.999400 -0.847600 8.2889E+00 -9.6400E+00 -1.6797E+01 H1 5288 1.008000 0.423800 9.1596E+00 -1.0012E+01 -1.6475E+01 H2 5289 1.008000 0.423800 8.0477E+00 -8.8365E+00 -1.6253E+01 O6 5290 15.999400 -0.847600 4.2773E+00 -5.3174E+00 1.8975E+01 H1 5291 1.008000 0.423800 3.8132E+00 -4.8728E+00 -1.9357E+01 H2 5292 1.008000 0.423800 4.3611E+00 -6.2967E+00 1.9159E+01 O6 5293 15.999400 -0.847600 9.9846E+00 1.6776E+01 -4.4402E-01 H1 5294 1.008000 0.423800 9.1455E+00 1.7319E+01 -4.2170E-01 H2 5295 1.008000 0.423800 1.0703E+01 1.7251E+01 6.4211E-02 O6 5296 15.999400 -0.847600 3.1448E-01 9.5009E-01 -1.8806E+01 H1 5297 1.008000 0.423800 1.0359E+00 5.1696E-01 -1.9346E+01 H2 5298 1.008000 0.423800 4.0374E-01 1.9442E+00 -1.8867E+01 O6 5299 15.999400 -0.847600 -1.1727E+01 6.0489E+00 -1.2010E+01 H1 5300 1.008000 0.423800 -1.2031E+01 5.0961E+00 -1.2010E+01 H2 5301 1.008000 0.423800 -1.1464E+01 6.3150E+00 -1.1083E+01 O6 5302 15.999400 -0.847600 5.6999E+00 1.3577E+01 1.8273E+00 H1 5303 1.008000 0.423800 5.4326E+00 1.2728E+01 2.2822E+00 H2 5304 1.008000 0.423800 5.4435E+00 1.3533E+01 8.6177E-01 O6 5305 15.999400 -0.847600 -7.1283E+00 1.4892E+01 -3.0192E+00 H1 5306 1.008000 0.423800 -6.9348E+00 1.4664E+01 -3.9735E+00 H2 5307 1.008000 0.423800 -6.7057E+00 1.5770E+01 -2.7936E+00 O6 5308 15.999400 -0.847600 -3.8983E+00 1.9481E+01 -9.1817E+00 H1 5309 1.008000 0.423800 -2.9957E+00 -1.9203E+01 -9.0624E+00 H2 5310 1.008000 0.423800 -4.4083E+00 1.9541E+01 -8.3236E+00 O6 5311 15.999400 -0.847600 -8.5394E+00 -4.7912E+00 -1.7012E+01 H1 5312 1.008000 0.423800 -8.6077E+00 -5.7137E+00 -1.7392E+01 H2 5313 1.008000 0.423800 -9.1848E+00 -4.6944E+00 -1.6254E+01 O6 5314 15.999400 -0.847600 2.2421E+00 -1.3550E+01 1.1655E+01 H1 5315 1.008000 0.423800 2.7867E+00 -1.3902E+01 1.2417E+01 H2 5316 1.008000 0.423800 1.8442E+00 -1.2668E+01 1.1909E+01 O6 5317 15.999400 -0.847600 -1.4348E+01 6.3124E+00 -1.4993E+00 H1 5318 1.008000 0.423800 -1.4315E+01 7.2740E+00 -1.7719E+00 H2 5319 1.008000 0.423800 -1.4206E+01 5.7333E+00 -2.3021E+00 O6 5320 15.999400 -0.847600 -1.0620E+01 -1.5192E+01 -3.0044E+00 H1 5321 1.008000 0.423800 -1.0925E+01 -1.4531E+01 -3.6893E+00 H2 5322 1.008000 0.423800 -1.0273E+01 -1.4706E+01 -2.2026E+00 O6 5323 15.999400 -0.847600 1.0847E+00 -8.3488E+00 3.1842E+00 H1 5324 1.008000 0.423800 3.1402E-01 -8.5649E+00 3.7837E+00 H2 5325 1.008000 0.423800 8.4613E-01 -7.5720E+00 2.6015E+00 O6 5326 15.999400 -0.847600 1.6430E+01 -1.3992E+01 -2.5457E+00 H1 5327 1.008000 0.423800 1.5775E+01 -1.3846E+01 -1.8038E+00 H2 5328 1.008000 0.423800 1.6307E+01 -1.4910E+01 -2.9224E+00 O6 5329 15.999400 -0.847600 9.0386E+00 -9.7825E+00 1.4996E+01 H1 5330 1.008000 0.423800 8.9400E+00 -8.9970E+00 1.4385E+01 H2 5331 1.008000 0.423800 9.5872E+00 -1.0487E+01 1.4547E+01 O6 5332 15.999400 -0.847600 -6.0022E+00 1.3167E+01 1.4072E+01 H1 5333 1.008000 0.423800 -5.4222E+00 1.3975E+01 1.4177E+01 H2 5334 1.008000 0.423800 -6.8653E+00 1.3430E+01 1.3641E+01 O6 5335 15.999400 -0.847600 -1.8096E+01 3.1845E+00 7.3178E+00 H1 5336 1.008000 0.423800 -1.8459E+01 2.6803E+00 8.1014E+00 H2 5337 1.008000 0.423800 -1.7189E+01 2.8325E+00 7.0858E+00 O6 5338 15.999400 -0.847600 -1.2445E+01 3.4709E+00 -2.3885E+00 H1 5339 1.008000 0.423800 -1.2665E+01 2.5669E+00 -2.0218E+00 H2 5340 1.008000 0.423800 -1.1850E+01 3.9551E+00 -1.7467E+00 O6 5341 15.999400 -0.847600 -1.1667E+01 -1.3789E+01 1.8059E+01 H1 5342 1.008000 0.423800 -1.2267E+01 -1.3350E+01 1.7390E+01 H2 5343 1.008000 0.423800 -1.0886E+01 -1.3193E+01 1.8248E+01 O6 5344 15.999400 -0.847600 -1.8668E+01 3.8845E-01 -1.0368E+01 H1 5345 1.008000 0.423800 -1.8681E+01 7.7896E-01 -9.4473E+00 H2 5346 1.008000 0.423800 -1.9445E+01 7.4067E-01 -1.0890E+01 O6 5347 15.999400 -0.847600 1.7192E+01 8.3050E+00 -1.9471E+01 H1 5348 1.008000 0.423800 1.7857E+01 7.9292E+00 1.8981E+01 H2 5349 1.008000 0.423800 1.7271E+01 7.8281E+00 -1.8596E+01 O6 5350 15.999400 -0.847600 1.5965E+01 -1.6856E+01 -3.4862E+00 H1 5351 1.008000 0.423800 1.5427E+01 -1.6722E+01 -4.3180E+00 H2 5352 1.008000 0.423800 1.5706E+01 -1.7722E+01 -3.0579E+00 O6 5353 15.999400 -0.847600 1.7121E+01 -7.2415E+00 5.2582E+00 H1 5354 1.008000 0.423800 1.7080E+01 -6.5017E+00 5.9298E+00 H2 5355 1.008000 0.423800 1.6805E+01 -6.9042E+00 4.3713E+00 O6 5356 15.999400 -0.847600 1.6934E+01 1.6761E+01 8.4602E+00 H1 5357 1.008000 0.423800 1.7469E+01 1.6003E+01 8.0867E+00 H2 5358 1.008000 0.423800 1.6094E+01 1.6405E+01 8.8688E+00 O6 5359 15.999400 -0.847600 4.6517E+00 1.7956E+01 9.0628E+00 H1 5360 1.008000 0.423800 4.0253E+00 1.8369E+01 8.4018E+00 H2 5361 1.008000 0.423800 5.5205E+00 1.8451E+01 9.0529E+00 O6 5362 15.999400 -0.847600 1.7519E+01 1.4077E+01 1.1341E+01 H1 5363 1.008000 0.423800 1.7754E+01 1.3385E+01 1.2024E+01 H2 5364 1.008000 0.423800 1.7150E+01 1.3630E+01 1.0527E+01 O6 5365 15.999400 -0.847600 -1.8847E+01 -1.3136E+00 2.4610E+00 H1 5366 1.008000 0.423800 -1.9111E+01 -3.5136E-01 2.3972E+00 H2 5367 1.008000 0.423800 -1.9436E+01 -1.8614E+00 1.8672E+00 O6 5368 15.999400 -0.847600 1.4332E+01 -1.6809E+01 -5.7267E+00 H1 5369 1.008000 0.423800 1.4098E+01 -1.6539E+01 -6.6608E+00 H2 5370 1.008000 0.423800 1.3585E+01 -1.7347E+01 -5.3375E+00 O6 5371 15.999400 -0.847600 -9.1623E+00 2.7035E+00 -5.7163E+00 H1 5372 1.008000 0.423800 -8.8700E+00 1.7521E+00 -5.8136E+00 H2 5373 1.008000 0.423800 -1.0144E+01 2.7329E+00 -5.5267E+00 O6 5374 15.999400 -0.847600 1.0471E+01 -7.0916E+00 1.6296E+01 H1 5375 1.008000 0.423800 9.5486E+00 -7.4776E+00 1.6307E+01 H2 5376 1.008000 0.423800 1.1137E+01 -7.8137E+00 1.6484E+01 O6 5377 15.999400 -0.847600 1.3737E+01 1.6612E+01 1.6418E+01 H1 5378 1.008000 0.423800 1.3396E+01 1.5805E+01 1.5935E+01 H2 5379 1.008000 0.423800 1.3770E+01 1.6423E+01 1.7400E+01 O6 5380 15.999400 -0.847600 1.1221E+01 1.1072E+01 -1.9041E+01 H1 5381 1.008000 0.423800 1.0944E+01 1.0326E+01 1.9453E+01 H2 5382 1.008000 0.423800 1.0409E+01 1.1504E+01 -1.8649E+01 O6 5383 15.999400 -0.847600 1.0002E+01 1.2310E+01 -1.0417E+01 H1 5384 1.008000 0.423800 9.1308E+00 1.2056E+01 -1.0837E+01 H2 5385 1.008000 0.423800 1.0750E+01 1.1853E+01 -1.0898E+01 O6 5386 15.999400 -0.847600 -1.1220E+01 -1.5938E+00 -1.5580E+01 H1 5387 1.008000 0.423800 -1.0589E+01 -2.2650E+00 -1.5190E+01 H2 5388 1.008000 0.423800 -1.1703E+01 -2.0014E+00 -1.6355E+01 O6 5389 15.999400 -0.847600 -9.6576E+00 -1.8827E+01 1.7632E+01 H1 5390 1.008000 0.423800 -1.0490E+01 -1.8366E+01 1.7324E+01 H2 5391 1.008000 0.423800 -9.8031E+00 -1.9200E+01 1.8549E+01 O6 5392 15.999400 -0.847600 -1.4646E+01 2.0909E+00 -6.9405E+00 H1 5393 1.008000 0.423800 -1.3798E+01 1.9741E+00 -7.4565E+00 H2 5394 1.008000 0.423800 -1.4906E+01 1.2195E+00 -6.5244E+00 O6 5395 15.999400 -0.847600 -5.2966E+00 1.2824E+01 5.1398E+00 H1 5396 1.008000 0.423800 -5.8117E+00 1.3302E+01 5.8510E+00 H2 5397 1.008000 0.423800 -5.6701E+00 1.1904E+01 5.0193E+00 O6 5398 15.999400 -0.847600 1.0846E+01 -1.6656E+01 1.8926E+01 H1 5399 1.008000 0.423800 9.9209E+00 -1.6427E+01 1.9228E+01 H2 5400 1.008000 0.423800 1.0848E+01 -1.6795E+01 1.7935E+01 O6 5401 15.999400 -0.847600 8.3296E+00 4.7204E+00 -1.1996E+01 H1 5402 1.008000 0.423800 7.7049E+00 4.5252E+00 -1.1240E+01 H2 5403 1.008000 0.423800 9.0146E+00 5.3856E+00 -1.1699E+01 O6 5404 15.999400 -0.847600 -3.0593E+00 1.2572E+01 9.5581E+00 H1 5405 1.008000 0.423800 -3.6120E+00 1.2343E+01 8.7567E+00 H2 5406 1.008000 0.423800 -2.1150E+00 1.2280E+01 9.4060E+00 O6 5407 15.999400 -0.847600 -2.7034E+00 -7.8806E+00 9.6502E+00 H1 5408 1.008000 0.423800 -1.9235E+00 -7.2554E+00 9.6796E+00 H2 5409 1.008000 0.423800 -2.6069E+00 -8.5679E+00 1.0370E+01 O6 5410 15.999400 -0.847600 1.7521E+01 2.6057E-01 -8.2488E+00 H1 5411 1.008000 0.423800 1.8447E+01 6.1937E-01 -8.3637E+00 H2 5412 1.008000 0.423800 1.7042E+01 2.8628E-01 -9.1264E+00 O6 5413 15.999400 -0.847600 3.5744E+00 1.9141E+01 -1.7599E+00 H1 5414 1.008000 0.423800 4.2769E+00 -1.9246E+01 -1.8073E+00 H2 5415 1.008000 0.423800 2.7147E+00 1.9543E+01 -1.4449E+00 O6 5416 15.999400 -0.847600 -7.5812E+00 1.1398E+01 -5.1320E+00 H1 5417 1.008000 0.423800 -7.0605E+00 1.0559E+01 -5.2921E+00 H2 5418 1.008000 0.423800 -7.6342E+00 1.1575E+01 -4.1492E+00 O6 5419 15.999400 -0.847600 1.5105E+01 9.8942E+00 -1.1315E+01 H1 5420 1.008000 0.423800 1.5946E+01 9.4117E+00 -1.1560E+01 H2 5421 1.008000 0.423800 1.4407E+01 9.2311E+00 -1.1045E+01 O6 5422 15.999400 -0.847600 8.6247E+00 8.9851E+00 -1.7006E+01 H1 5423 1.008000 0.423800 8.1255E+00 9.4184E+00 -1.7757E+01 H2 5424 1.008000 0.423800 9.3623E+00 8.4216E+00 -1.7379E+01 O6 5425 15.999400 -0.847600 -8.2633E+00 -1.4608E+01 1.0048E+01 H1 5426 1.008000 0.423800 -8.0939E+00 -1.4038E+01 1.0852E+01 H2 5427 1.008000 0.423800 -9.2277E+00 -1.4871E+01 1.0024E+01 O6 5428 15.999400 -0.847600 1.6929E+01 -1.2635E+01 -8.7992E+00 H1 5429 1.008000 0.423800 1.7112E+01 -1.2525E+01 -7.8224E+00 H2 5430 1.008000 0.423800 1.7669E+01 -1.2219E+01 -9.3265E+00 O6 5431 15.999400 -0.847600 1.7018E+01 1.7339E+01 -4.2403E+00 H1 5432 1.008000 0.423800 1.7161E+01 1.6487E+01 -4.7451E+00 H2 5433 1.008000 0.423800 1.6598E+01 1.8017E+01 -4.8431E+00 O6 5434 15.999400 -0.847600 -1.4771E+01 1.2457E+01 1.7762E+01 H1 5435 1.008000 0.423800 -1.5632E+01 1.1986E+01 1.7955E+01 H2 5436 1.008000 0.423800 -1.4217E+01 1.1899E+01 1.7145E+01 O6 5437 15.999400 -0.847600 -8.1914E-01 3.7686E+00 1.5359E+01 H1 5438 1.008000 0.423800 -1.4169E+00 3.8445E+00 1.6157E+01 H2 5439 1.008000 0.423800 -2.3190E-01 4.5762E+00 1.5304E+01 O6 5440 15.999400 -0.847600 -1.8673E+01 9.6631E+00 1.5118E+01 H1 5441 1.008000 0.423800 -1.8328E+01 8.8859E+00 1.5644E+01 H2 5442 1.008000 0.423800 1.9431E+01 9.5905E+00 1.5028E+01 O6 5443 15.999400 -0.847600 -1.0095E+01 1.6061E+01 -1.2382E+01 H1 5444 1.008000 0.423800 -1.0932E+01 1.5634E+01 -1.2039E+01 H2 5445 1.008000 0.423800 -1.0224E+01 1.6329E+01 -1.3336E+01 O6 5446 15.999400 -0.847600 6.2345E+00 -3.3425E+00 -1.8060E+01 H1 5447 1.008000 0.423800 5.9868E+00 -2.8590E+00 -1.7221E+01 H2 5448 1.008000 0.423800 6.0434E+00 -4.3180E+00 -1.7952E+01 O6 5449 15.999400 -0.847600 1.1292E+01 1.0219E-02 1.7120E+01 H1 5450 1.008000 0.423800 1.1525E+01 -3.9958E-01 1.8002E+01 H2 5451 1.008000 0.423800 1.1890E+01 7.9316E-01 1.6948E+01 O6 5452 15.999400 -0.847600 -1.8095E+01 7.3191E+00 1.0205E+01 H1 5453 1.008000 0.423800 -1.7478E+01 7.9119E+00 9.6883E+00 H2 5454 1.008000 0.423800 -1.8234E+01 7.6986E+00 1.1120E+01 O6 5455 15.999400 -0.847600 3.0602E+00 1.0086E+01 7.6674E+00 H1 5456 1.008000 0.423800 2.7151E+00 9.8013E+00 8.5618E+00 H2 5457 1.008000 0.423800 2.2942E+00 1.0194E+01 7.0336E+00 O6 5458 15.999400 -0.847600 -1.3764E+01 -1.7074E+01 1.5267E+01 H1 5459 1.008000 0.423800 -1.4135E+01 -1.8002E+01 1.5227E+01 H2 5460 1.008000 0.423800 -1.4505E+01 -1.6414E+01 1.5136E+01 O6 5461 15.999400 -0.847600 -7.1080E+00 -6.6204E+00 -9.3536E+00 H1 5462 1.008000 0.423800 -7.1673E+00 -7.0209E+00 -8.4392E+00 H2 5463 1.008000 0.423800 -7.7284E+00 -5.8385E+00 -9.4158E+00 O6 5464 15.999400 -0.847600 -9.6132E+00 -3.1828E+00 6.2168E-01 H1 5465 1.008000 0.423800 -9.5681E+00 -2.2227E+00 3.4563E-01 H2 5466 1.008000 0.423800 -8.8277E+00 -3.4003E+00 1.2009E+00 O6 5467 15.999400 -0.847600 -9.5360E+00 -4.7744E+00 7.1320E+00 H1 5468 1.008000 0.423800 -9.5651E+00 -4.9186E+00 8.1211E+00 H2 5469 1.008000 0.423800 -9.1378E+00 -3.8780E+00 6.9375E+00 O6 5470 15.999400 -0.847600 -1.8650E+01 2.0704E+00 9.7264E+00 H1 5471 1.008000 0.423800 -1.9416E+01 1.4580E+00 9.9205E+00 H2 5472 1.008000 0.423800 -1.7789E+01 1.5837E+00 9.8737E+00 O6 5473 15.999400 -0.847600 -9.8510E+00 -1.5152E+01 3.6464E+00 H1 5474 1.008000 0.423800 -1.0308E+01 -1.5132E+01 2.7572E+00 H2 5475 1.008000 0.423800 -9.9419E+00 -1.6063E+01 4.0476E+00 O6 5476 15.999400 -0.847600 -1.5233E+01 -4.6933E+00 -1.6428E+01 H1 5477 1.008000 0.423800 -1.5373E+01 -3.7290E+00 -1.6203E+01 H2 5478 1.008000 0.423800 -1.4657E+01 -5.1189E+00 -1.5731E+01 O6 5479 15.999400 -0.847600 -5.6479E+00 7.1606E+00 -1.3020E+01 H1 5480 1.008000 0.423800 -5.3954E+00 6.6236E+00 -1.2215E+01 H2 5481 1.008000 0.423800 -6.6178E+00 7.3991E+00 -1.2971E+01 O6 5482 15.999400 -0.847600 5.9177E+00 5.5384E+00 -9.8352E+00 H1 5483 1.008000 0.423800 5.6979E+00 5.8716E+00 -8.9183E+00 H2 5484 1.008000 0.423800 5.2813E+00 5.9365E+00 -1.0496E+01 O6 5485 15.999400 -0.847600 -1.3959E+01 5.7306E+00 1.2610E+01 H1 5486 1.008000 0.423800 -1.4798E+01 5.4355E+00 1.2152E+01 H2 5487 1.008000 0.423800 -1.3741E+01 6.6672E+00 1.2335E+01 O6 5488 15.999400 -0.847600 9.3564E+00 1.7011E+01 3.7909E+00 H1 5489 1.008000 0.423800 9.0408E+00 1.6378E+01 3.0844E+00 H2 5490 1.008000 0.423800 1.0119E+01 1.6601E+01 4.2899E+00 O6 5491 15.999400 -0.847600 3.0036E+00 -8.7223E+00 -1.2378E+00 H1 5492 1.008000 0.423800 3.8326E+00 -9.0208E+00 -1.7107E+00 H2 5493 1.008000 0.423800 3.0932E+00 -8.9075E+00 -2.5920E-01 O6 5494 15.999400 -0.847600 2.4066E+00 -1.0991E+01 1.7688E+01 H1 5495 1.008000 0.423800 2.4210E+00 -1.1384E+01 1.8607E+01 H2 5496 1.008000 0.423800 1.8875E+00 -1.1590E+01 1.7078E+01 O6 5497 15.999400 -0.847600 -8.5913E-01 -5.1100E+00 -5.2722E+00 H1 5498 1.008000 0.423800 -1.4487E+00 -5.1436E+00 -6.0793E+00 H2 5499 1.008000 0.423800 8.7801E-02 -4.9615E+00 -5.5573E+00 O6 5500 15.999400 -0.847600 9.5209E+00 -1.8109E+01 6.4198E+00 H1 5501 1.008000 0.423800 9.8149E+00 -1.8859E+01 5.8274E+00 H2 5502 1.008000 0.423800 1.0315E+01 -1.7725E+01 6.8906E+00 O6 5503 15.999400 -0.847600 -4.6159E+00 1.4777E+01 1.6831E+01 H1 5504 1.008000 0.423800 -4.9975E+00 1.5600E+01 1.6410E+01 H2 5505 1.008000 0.423800 -4.9343E+00 1.4708E+01 1.7777E+01 O6 5506 15.999400 -0.847600 9.0684E+00 -1.6331E+01 1.3570E+01 H1 5507 1.008000 0.423800 8.0933E+00 -1.6454E+01 1.3755E+01 H2 5508 1.008000 0.423800 9.5731E+00 -1.7130E+01 1.3897E+01 O6 5509 15.999400 -0.847600 1.8608E+01 1.9319E+01 -2.5588E+00 H1 5510 1.008000 0.423800 1.8353E+01 1.9500E+01 -1.6089E+00 H2 5511 1.008000 0.423800 1.8071E+01 1.8551E+01 -2.9077E+00 O6 5512 15.999400 -0.847600 -8.2441E+00 -1.3347E+01 -1.0677E+01 H1 5513 1.008000 0.423800 -8.7329E+00 -1.3049E+01 -9.8573E+00 H2 5514 1.008000 0.423800 -8.5419E+00 -1.4269E+01 -1.0926E+01 O6 5515 15.999400 -0.847600 8.6125E-01 3.4408E+00 -2.8907E+00 H1 5516 1.008000 0.423800 1.6060E+00 3.8283E+00 -3.4341E+00 H2 5517 1.008000 0.423800 8.0945E-01 2.4551E+00 -3.0514E+00 O6 5518 15.999400 -0.847600 8.5057E+00 -1.7724E+01 -1.0006E+01 H1 5519 1.008000 0.423800 7.8517E+00 -1.8415E+01 -9.6979E+00 H2 5520 1.008000 0.423800 8.0179E+00 -1.6881E+01 -1.0233E+01 O6 5521 15.999400 -0.847600 6.4016E+00 1.3492E+01 1.0418E+01 H1 5522 1.008000 0.423800 6.1836E+00 1.4338E+01 9.9311E+00 H2 5523 1.008000 0.423800 6.7891E+00 1.2829E+01 9.7779E+00 O6 5524 15.999400 -0.847600 -3.2514E+00 -1.3340E+01 -1.6052E+01 H1 5525 1.008000 0.423800 -3.3681E+00 -1.3970E+01 -1.5285E+01 H2 5526 1.008000 0.423800 -2.6758E+00 -1.2573E+01 -1.5769E+01 O6 5527 15.999400 -0.847600 2.1582E+00 1.1608E+01 -1.8241E+01 H1 5528 1.008000 0.423800 2.1664E+00 1.2100E+01 -1.9111E+01 H2 5529 1.008000 0.423800 1.3318E+00 1.1846E+01 -1.7731E+01 O6 5530 15.999400 -0.847600 1.7060E+01 3.0838E+00 -1.5986E+01 H1 5531 1.008000 0.423800 1.6880E+01 2.6605E+00 -1.5098E+01 H2 5532 1.008000 0.423800 1.6799E+01 2.4513E+00 -1.6716E+01 O6 5533 15.999400 -0.847600 9.8296E+00 -1.5944E+01 -5.6182E-01 H1 5534 1.008000 0.423800 1.0274E+01 -1.5137E+01 -1.7314E-01 H2 5535 1.008000 0.423800 1.0336E+01 -1.6764E+01 -2.9559E-01 O6 5536 15.999400 -0.847600 -6.5897E+00 1.7115E+01 -1.4668E+00 H1 5537 1.008000 0.423800 -5.7141E+00 1.6760E+01 -1.1390E+00 H2 5538 1.008000 0.423800 -7.0276E+00 1.7645E+01 -7.4040E-01 O6 5539 15.999400 -0.847600 -7.7630E+00 5.1025E+00 -5.4158E+00 H1 5540 1.008000 0.423800 -7.4027E+00 4.9867E+00 -4.4902E+00 H2 5541 1.008000 0.423800 -8.2069E+00 4.2558E+00 -5.7089E+00 O6 5542 15.999400 -0.847600 1.8224E+01 -1.6754E+00 -1.7427E+01 H1 5543 1.008000 0.423800 1.8726E+01 -2.3517E+00 -1.6887E+01 H2 5544 1.008000 0.423800 1.8695E+01 -7.9468E-01 -1.7378E+01 O6 5545 15.999400 -0.847600 -1.3610E+01 8.4352E+00 1.1525E+01 H1 5546 1.008000 0.423800 -1.3132E+01 8.0192E+00 1.0751E+01 H2 5547 1.008000 0.423800 -1.4467E+01 8.8405E+00 1.1208E+01 O6 5548 15.999400 -0.847600 1.3154E+01 -1.6458E+01 -1.8473E+01 H1 5549 1.008000 0.423800 1.2385E+01 -1.6531E+01 -1.9108E+01 H2 5550 1.008000 0.423800 1.2870E+01 -1.5944E+01 -1.7663E+01 O6 5551 15.999400 -0.847600 4.3722E+00 1.0320E+01 -1.6692E+01 H1 5552 1.008000 0.423800 4.9639E+00 1.1113E+01 -1.6543E+01 H2 5553 1.008000 0.423800 3.6338E+00 1.0568E+01 -1.7319E+01 O6 5554 15.999400 -0.847600 5.3329E+00 8.7236E+00 -2.4593E+00 H1 5555 1.008000 0.423800 5.9779E+00 8.5621E+00 -1.7124E+00 H2 5556 1.008000 0.423800 5.8150E+00 8.6690E+00 -3.3337E+00 O6 5557 15.999400 -0.847600 -1.0383E+01 1.8075E+01 -2.1032E+00 H1 5558 1.008000 0.423800 -1.0689E+01 1.9010E+01 -1.9255E+00 H2 5559 1.008000 0.423800 -1.0275E+01 1.7589E+01 -1.2358E+00 O6 5560 15.999400 -0.847600 2.1576E+00 1.3906E+01 -1.4148E+01 H1 5561 1.008000 0.423800 1.8904E+00 1.4266E+01 -1.5042E+01 H2 5562 1.008000 0.423800 1.9202E+00 1.2937E+01 -1.4094E+01 O6 5563 15.999400 -0.847600 -7.8610E+00 1.7239E+01 1.1152E+00 H1 5564 1.008000 0.423800 -7.3572E+00 1.7117E+01 1.9705E+00 H2 5565 1.008000 0.423800 -8.6184E+00 1.7875E+01 1.2625E+00 O6 5566 15.999400 -0.847600 2.9931E+00 -1.4462E+01 -1.7601E+01 H1 5567 1.008000 0.423800 3.4550E+00 -1.4220E+01 -1.6748E+01 H2 5568 1.008000 0.423800 2.8597E+00 -1.5453E+01 -1.7639E+01 O6 5569 15.999400 -0.847600 1.2355E+01 1.7488E+00 4.2238E+00 H1 5570 1.008000 0.423800 1.1592E+01 1.1658E+00 3.9444E+00 H2 5571 1.008000 0.423800 1.3131E+01 1.5982E+00 3.6115E+00 O6 5572 15.999400 -0.847600 2.5175E+00 -1.3013E+01 -4.5998E+00 H1 5573 1.008000 0.423800 2.5060E+00 -1.3022E+01 -5.5997E+00 H2 5574 1.008000 0.423800 3.3777E+00 -1.2616E+01 -4.2801E+00 O6 5575 15.999400 -0.847600 -1.7921E+01 -1.7934E+01 1.4267E+01 H1 5576 1.008000 0.423800 -1.7845E+01 -1.8826E+01 1.4712E+01 H2 5577 1.008000 0.423800 -1.8355E+01 -1.7285E+01 1.4892E+01 O6 5578 15.999400 -0.847600 -1.5838E+01 -1.5367E+01 -3.5575E+00 H1 5579 1.008000 0.423800 -1.6629E+01 -1.5050E+01 -4.0819E+00 H2 5580 1.008000 0.423800 -1.5559E+01 -1.4655E+01 -2.9136E+00 O6 5581 15.999400 -0.847600 5.9323E+00 4.1258E-01 5.4869E+00 H1 5582 1.008000 0.423800 5.5287E+00 1.3225E+00 5.3908E+00 H2 5583 1.008000 0.423800 5.6879E+00 3.2099E-02 6.3788E+00 O6 5584 15.999400 -0.847600 -1.7034E+01 -3.1378E+00 -3.5346E+00 H1 5585 1.008000 0.423800 -1.6639E+01 -4.0288E+00 -3.3110E+00 H2 5586 1.008000 0.423800 -1.7241E+01 -3.1009E+00 -4.5122E+00 O6 5587 15.999400 -0.847600 -1.2366E+00 5.0274E+00 -6.4585E+00 H1 5588 1.008000 0.423800 -3.0987E-01 4.8297E+00 -6.1391E+00 H2 5589 1.008000 0.423800 -1.3819E+00 6.0168E+00 -6.4679E+00 O6 5590 15.999400 -0.847600 2.3924E+00 -1.3112E+01 -1.0411E+01 H1 5591 1.008000 0.423800 1.8710E+00 -1.2349E+01 -1.0793E+01 H2 5592 1.008000 0.423800 1.9723E+00 -1.3976E+01 -1.0691E+01 O6 5593 15.999400 -0.847600 -8.6118E+00 1.1535E+01 2.3603E+00 H1 5594 1.008000 0.423800 -8.2108E+00 1.2413E+01 2.6233E+00 H2 5595 1.008000 0.423800 -9.4782E+00 1.1693E+01 1.8867E+00 O6 5596 15.999400 -0.847600 -1.1479E+01 -1.4808E+01 1.4010E+00 H1 5597 1.008000 0.423800 -1.1951E+01 -1.5255E+01 6.4064E-01 H2 5598 1.008000 0.423800 -1.1878E+01 -1.3904E+01 1.5540E+00 O6 5599 15.999400 -0.847600 1.4543E+01 -4.6601E+00 1.0500E+01 H1 5600 1.008000 0.423800 1.4191E+01 -4.9127E+00 9.5990E+00 H2 5601 1.008000 0.423800 1.4960E+01 -5.4604E+00 1.0931E+01 O6 5602 15.999400 -0.847600 -1.3432E+00 1.9374E+01 1.8915E+01 H1 5603 1.008000 0.423800 -1.2039E+00 1.9047E+01 1.7980E+01 H2 5604 1.008000 0.423800 -2.3167E+00 1.9545E+01 1.9066E+01 O6 5605 15.999400 -0.847600 4.5523E+00 -7.8202E+00 1.9521E+01 H1 5606 1.008000 0.423800 3.7204E+00 -7.8484E+00 -1.9022E+01 H2 5607 1.008000 0.423800 5.1948E+00 -8.5128E+00 -1.9249E+01 O6 5608 15.999400 -0.847600 -7.2682E+00 3.0948E+00 1.0652E+01 H1 5609 1.008000 0.423800 -7.7256E+00 3.4081E+00 1.1485E+01 H2 5610 1.008000 0.423800 -7.1881E+00 2.0982E+00 1.0671E+01 O6 5611 15.999400 -0.847600 2.0162E+00 1.0025E+01 1.7158E+01 H1 5612 1.008000 0.423800 2.1372E+00 1.0570E+01 1.6328E+01 H2 5613 1.008000 0.423800 1.0404E+00 9.8843E+00 1.7325E+01 O6 5614 15.999400 -0.847600 -1.6249E+01 -1.4724E+00 -1.5709E-02 H1 5615 1.008000 0.423800 -1.7123E+01 -1.6721E+00 -4.6013E-01 H2 5616 1.008000 0.423800 -1.6196E+01 -1.9674E+00 8.5150E-01 O6 5617 15.999400 -0.847600 5.8930E-01 2.2588E+00 -8.7096E+00 H1 5618 1.008000 0.423800 -2.6598E-01 1.9856E+00 -9.1499E+00 H2 5619 1.008000 0.423800 7.2388E-01 3.2430E+00 -8.8246E+00 O6 5620 15.999400 -0.847600 1.2982E+01 -5.9482E+00 -1.6373E+01 H1 5621 1.008000 0.423800 1.3598E+01 -6.2995E+00 -1.7078E+01 H2 5622 1.008000 0.423800 1.2034E+01 -6.0596E+00 -1.6672E+01 O6 5623 15.999400 -0.847600 1.7183E+00 1.3936E+01 -2.5345E+00 H1 5624 1.008000 0.423800 1.0851E+00 1.3168E+01 -2.4357E+00 H2 5625 1.008000 0.423800 2.6133E+00 1.3595E+01 -2.8218E+00 O6 5626 15.999400 -0.847600 1.3587E+01 1.8168E+01 -1.0795E+01 H1 5627 1.008000 0.423800 1.2912E+01 1.7484E+01 -1.1074E+01 H2 5628 1.008000 0.423800 1.4497E+01 1.7753E+01 -1.0788E+01 O6 5629 15.999400 -0.847600 2.9142E+00 -1.5260E+01 -1.4135E+01 H1 5630 1.008000 0.423800 2.6654E+00 -1.4988E+01 -1.3206E+01 H2 5631 1.008000 0.423800 3.5429E+00 -1.4587E+01 -1.4523E+01 O6 5632 15.999400 -0.847600 2.1563E+00 6.9901E+00 1.7530E+01 H1 5633 1.008000 0.423800 1.8128E+00 6.2925E+00 1.8158E+01 H2 5634 1.008000 0.423800 2.0253E+00 7.8958E+00 1.7933E+01 O6 5635 15.999400 -0.847600 1.2678E+01 1.7503E+01 -1.5031E+01 H1 5636 1.008000 0.423800 1.3228E+01 1.8141E+01 -1.5569E+01 H2 5637 1.008000 0.423800 1.3269E+01 1.6793E+01 -1.4648E+01 O6 5638 15.999400 -0.847600 -4.0654E+00 -5.0616E+00 -1.3568E+01 H1 5639 1.008000 0.423800 -3.6804E+00 -4.4872E+00 -1.4290E+01 H2 5640 1.008000 0.423800 -4.1095E+00 -4.5405E+00 -1.2715E+01 O6 5641 15.999400 -0.847600 8.7877E+00 1.3306E+01 3.9460E+00 H1 5642 1.008000 0.423800 8.3618E+00 1.3948E+01 3.3084E+00 H2 5643 1.008000 0.423800 8.4843E+00 1.3510E+01 4.8768E+00 O6 5644 15.999400 -0.847600 1.4240E+01 1.5482E+01 8.2757E+00 H1 5645 1.008000 0.423800 1.3621E+01 1.6265E+01 8.3443E+00 H2 5646 1.008000 0.423800 1.4331E+01 1.5212E+01 7.3171E+00 O6 5647 15.999400 -0.847600 8.3595E+00 -1.8496E+01 1.6395E+01 H1 5648 1.008000 0.423800 7.7869E+00 -1.7904E+01 1.6962E+01 H2 5649 1.008000 0.423800 7.9242E+00 -1.9392E+01 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1.008000 0.423800 5.9737E+00 1.5116E+00 1.1875E+01 H2 5667 1.008000 0.423800 7.6004E+00 1.6507E+00 1.1906E+01 O6 5668 15.999400 -0.847600 1.8000E+01 3.4760E+00 1.8419E+01 H1 5669 1.008000 0.423800 1.8285E+01 4.2303E+00 1.7828E+01 H2 5670 1.008000 0.423800 1.7235E+01 3.7722E+00 1.8992E+01 O6 5671 15.999400 -0.847600 -1.9849E+00 6.4268E+00 1.7375E+01 H1 5672 1.008000 0.423800 -1.4448E+00 6.3598E+00 1.6536E+01 H2 5673 1.008000 0.423800 -1.4087E+00 6.7727E+00 1.8116E+01 O6 5674 15.999400 -0.847600 8.5995E-01 1.4290E+01 5.0761E+00 H1 5675 1.008000 0.423800 4.1608E-01 1.4588E+01 5.9211E+00 H2 5676 1.008000 0.423800 1.6320E-01 1.4070E+01 4.3934E+00 O6 5677 15.999400 -0.847600 -1.2067E+01 -2.6669E+00 1.0934E+01 H1 5678 1.008000 0.423800 -1.2511E+01 -2.5677E+00 1.0043E+01 H2 5679 1.008000 0.423800 -1.1900E+01 -1.7621E+00 1.1325E+01 O6 5680 15.999400 -0.847600 -8.0648E+00 -1.5758E+01 6.7129E+00 H1 5681 1.008000 0.423800 -9.0139E+00 -1.5450E+01 6.7822E+00 H2 5682 1.008000 0.423800 -7.7315E+00 -1.5603E+01 5.7828E+00 O6 5683 15.999400 -0.847600 6.0224E+00 1.5826E+01 8.4800E+00 H1 5684 1.008000 0.423800 5.4689E+00 1.6602E+01 8.7832E+00 H2 5685 1.008000 0.423800 5.8055E+00 1.5614E+01 7.5271E+00 O6 5686 15.999400 -0.847600 5.1489E+00 -9.3483E+00 -1.4769E+01 H1 5687 1.008000 0.423800 4.4305E+00 -9.8254E+00 -1.5275E+01 H2 5688 1.008000 0.423800 4.9480E+00 -9.3860E+00 -1.3790E+01 O6 5689 15.999400 -0.847600 -3.8980E+00 1.7336E+01 9.2829E+00 H1 5690 1.008000 0.423800 -3.5266E+00 1.6638E+01 9.8947E+00 H2 5691 1.008000 0.423800 -3.6362E+00 1.7127E+01 8.3407E+00 O6 5692 15.999400 -0.847600 1.0356E+01 -1.2734E+01 -1.1379E+01 H1 5693 1.008000 0.423800 1.1117E+01 -1.2213E+01 -1.0993E+01 H2 5694 1.008000 0.423800 1.0161E+01 -1.2405E+01 -1.2303E+01 O6 5695 15.999400 -0.847600 -4.7736E+00 -1.6766E+01 -4.8555E-01 H1 5696 1.008000 0.423800 -4.1064E+00 -1.7217E+01 -1.0785E+00 H2 5697 1.008000 0.423800 -5.4842E+00 -1.7420E+01 -2.2580E-01 O6 5698 15.999400 -0.847600 -1.7138E+01 1.5125E+01 -1.6225E+01 H1 5699 1.008000 0.423800 -1.6267E+01 1.5129E+01 -1.5734E+01 H2 5700 1.008000 0.423800 -1.7580E+01 1.4235E+01 -1.6114E+01 O6 5701 15.999400 -0.847600 -8.7397E+00 9.9672E+00 1.1623E+01 H1 5702 1.008000 0.423800 -9.1992E+00 1.0850E+01 1.1722E+01 H2 5703 1.008000 0.423800 -7.7773E+00 1.0116E+01 1.1396E+01 O6 5704 15.999400 -0.847600 -9.0239E+00 6.7110E+00 -1.2939E+01 H1 5705 1.008000 0.423800 -9.9634E+00 6.8237E+00 -1.2616E+01 H2 5706 1.008000 0.423800 -8.7477E+00 7.5248E+00 -1.3450E+01 O6 5707 15.999400 -0.847600 -6.2649E+00 6.8857E-01 1.7646E+01 H1 5708 1.008000 0.423800 -6.3548E+00 1.6072E+00 1.7262E+01 H2 5709 1.008000 0.423800 -5.9035E+00 7.5093E-01 1.8577E+01 O6 5710 15.999400 -0.847600 6.9180E+00 1.5987E-01 2.0074E-01 H1 5711 1.008000 0.423800 7.2958E+00 1.0813E+00 1.1028E-01 H2 5712 1.008000 0.423800 6.8525E+00 -7.9850E-02 1.1694E+00 O6 5713 15.999400 -0.847600 1.3875E+01 1.4676E+01 -3.3011E+00 H1 5714 1.008000 0.423800 1.3031E+01 1.5012E+01 -2.8820E+00 H2 5715 1.008000 0.423800 1.4019E+01 1.3722E+01 -3.0400E+00 O6 5716 15.999400 -0.847600 8.7504E+00 -1.6000E+01 8.6016E+00 H1 5717 1.008000 0.423800 8.3725E+00 -1.6254E+01 7.7111E+00 H2 5718 1.008000 0.423800 8.6126E+00 -1.6751E+01 9.2480E+00 O6 5719 15.999400 -0.847600 1.2821E+01 1.2961E+01 1.8927E+01 H1 5720 1.008000 0.423800 1.2290E+01 1.2212E+01 1.9323E+01 H2 5721 1.008000 0.423800 1.3519E+01 1.2588E+01 1.8315E+01 O6 5722 15.999400 -0.847600 1.0528E+01 8.9770E+00 -6.7018E-01 H1 5723 1.008000 0.423800 1.1377E+01 9.2174E+00 -1.9861E-01 H2 5724 1.008000 0.423800 1.0174E+01 8.1179E+00 -3.0121E-01 O6 5725 15.999400 -0.847600 -4.1440E+00 -1.8520E+01 5.7890E+00 H1 5726 1.008000 0.423800 -3.6892E+00 -1.8469E+01 6.6782E+00 H2 5727 1.008000 0.423800 -3.8399E+00 -1.7760E+01 5.2153E+00 O6 5728 15.999400 -0.847600 1.4568E+01 -9.0684E+00 -1.3170E+01 H1 5729 1.008000 0.423800 1.4900E+01 -9.9684E+00 -1.3452E+01 H2 5730 1.008000 0.423800 1.4438E+01 -9.0572E+00 -1.2178E+01 O6 5731 15.999400 -0.847600 1.3458E+01 -8.1089E+00 -4.8474E+00 H1 5732 1.008000 0.423800 1.3258E+01 -8.8339E+00 -4.1882E+00 H2 5733 1.008000 0.423800 1.4411E+01 -8.1800E+00 -5.1427E+00 O6 5734 15.999400 -0.847600 1.1472E+01 -1.6447E+01 1.6144E+01 H1 5735 1.008000 0.423800 1.1156E+01 -1.7272E+01 1.5675E+01 H2 5736 1.008000 0.423800 1.2265E+01 -1.6074E+01 1.5662E+01 O6 5737 15.999400 -0.847600 1.8749E+01 6.1345E+00 -1.0074E+01 H1 5738 1.008000 0.423800 1.9516E+01 5.5345E+00 -1.0301E+01 H2 5739 1.008000 0.423800 1.9098E+01 7.0112E+00 -9.7428E+00 O6 5740 15.999400 -0.847600 4.9278E+00 8.9225E-01 -4.5436E+00 H1 5741 1.008000 0.423800 4.3788E+00 1.7016E+00 -4.7525E+00 H2 5742 1.008000 0.423800 4.3594E+00 7.3647E-02 -4.6260E+00 O6 5743 15.999400 -0.847600 -1.3832E+01 8.4046E+00 1.5747E+01 H1 5744 1.008000 0.423800 -1.4460E+01 7.6510E+00 1.5555E+01 H2 5745 1.008000 0.423800 -1.2994E+01 8.2833E+00 1.5215E+01 O6 5746 15.999400 -0.847600 1.3965E+01 -2.1749E+00 -1.3878E+01 H1 5747 1.008000 0.423800 1.4692E+01 -2.0518E+00 -1.4553E+01 H2 5748 1.008000 0.423800 1.4204E+01 -2.9267E+00 -1.3263E+01 O6 5749 15.999400 -0.847600 8.4881E+00 1.9390E+01 -1.3184E+00 H1 5750 1.008000 0.423800 7.7763E+00 -1.9007E+01 -1.3671E+00 H2 5751 1.008000 0.423800 8.7822E+00 1.9149E+01 -2.2432E+00 O6 5752 15.999400 -0.847600 1.5531E+01 -9.4327E+00 -9.9870E-01 H1 5753 1.008000 0.423800 1.4622E+01 -9.0688E+00 -7.9227E-01 H2 5754 1.008000 0.423800 1.6072E+01 -9.4731E+00 -1.5902E-01 O6 5755 15.999400 -0.847600 -3.6943E+00 -1.4657E+01 1.8204E+01 H1 5756 1.008000 0.423800 -2.6997E+00 -1.4686E+01 1.8304E+01 H2 5757 1.008000 0.423800 -4.1206E+00 -1.4671E+01 1.9108E+01 O6 5758 15.999400 -0.847600 1.4692E+01 4.7484E+00 -1.6109E+01 H1 5759 1.008000 0.423800 1.5467E+01 4.3232E+00 -1.6576E+01 H2 5760 1.008000 0.423800 1.5023E+01 5.4751E+00 -1.5507E+01 O6 5761 15.999400 -0.847600 7.4670E+00 1.6468E+01 -1.8235E+01 H1 5762 1.008000 0.423800 6.9141E+00 1.7297E+01 -1.8151E+01 H2 5763 1.008000 0.423800 8.4369E+00 1.6710E+01 -1.8210E+01 O6 5764 15.999400 -0.847600 -9.9344E-01 1.2520E+01 1.8948E+01 H1 5765 1.008000 0.423800 -1.4765E+00 1.2788E+01 -1.9316E+01 H2 5766 1.008000 0.423800 -1.0955E-01 1.2986E+01 1.8910E+01 O6 5767 15.999400 -0.847600 -5.7607E+00 7.5211E+00 2.9364E+00 H1 5768 1.008000 0.423800 -6.1508E+00 8.3739E+00 2.5888E+00 H2 5769 1.008000 0.423800 -5.5491E+00 7.6233E+00 3.9083E+00 O6 5770 15.999400 -0.847600 1.9200E+01 -5.5333E+00 1.4472E+01 H1 5771 1.008000 0.423800 1.9269E+01 -4.6665E+00 1.4965E+01 H2 5772 1.008000 0.423800 1.8236E+01 -5.7807E+00 1.4366E+01 O6 5773 15.999400 -0.847600 -1.7333E+01 1.4950E+01 -8.0861E+00 H1 5774 1.008000 0.423800 -1.7502E+01 1.4027E+01 -8.4313E+00 H2 5775 1.008000 0.423800 -1.7657E+01 1.5620E+01 -8.7541E+00 O6 5776 15.999400 -0.847600 -1.1673E+01 -8.5039E+00 -1.2825E+01 H1 5777 1.008000 0.423800 -1.2604E+01 -8.2983E+00 -1.2523E+01 H2 5778 1.008000 0.423800 -1.1230E+01 -9.1013E+00 -1.2157E+01 O6 5779 15.999400 -0.847600 1.4892E+01 8.9036E+00 -2.0637E+00 H1 5780 1.008000 0.423800 1.3947E+01 8.6510E+00 -1.8548E+00 H2 5781 1.008000 0.423800 1.4940E+01 9.8834E+00 -2.2579E+00 O6 5782 15.999400 -0.847600 1.4564E+01 2.0110E+00 1.5638E+01 H1 5783 1.008000 0.423800 1.5157E+01 2.7168E+00 1.6025E+01 H2 5784 1.008000 0.423800 1.4394E+01 1.3048E+00 1.6326E+01 O6 5785 15.999400 -0.847600 1.2789E+01 -1.8046E+01 4.5137E+00 H1 5786 1.008000 0.423800 1.3381E+01 -1.7513E+01 5.1187E+00 H2 5787 1.008000 0.423800 1.2445E+01 -1.7458E+01 3.7818E+00 O6 5788 15.999400 -0.847600 7.6885E+00 1.1657E+01 8.8775E+00 H1 5789 1.008000 0.423800 8.6105E+00 1.1352E+01 9.1152E+00 H2 5790 1.008000 0.423800 7.1360E+00 1.0870E+01 8.6055E+00 O6 5791 15.999400 -0.847600 1.6449E+01 -1.1009E+01 1.0580E+01 H1 5792 1.008000 0.423800 1.6122E+01 -1.0201E+01 1.0090E+01 H2 5793 1.008000 0.423800 1.6444E+01 -1.0827E+01 1.1563E+01 O6 5794 15.999400 -0.847600 -1.3597E+01 -2.5118E+00 8.3841E+00 H1 5795 1.008000 0.423800 -1.3173E+01 -3.4020E+00 8.2173E+00 H2 5796 1.008000 0.423800 -1.4574E+01 -2.5636E+00 8.1764E+00 O6 5797 15.999400 -0.847600 -1.7660E+01 -7.9596E+00 1.8158E+00 H1 5798 1.008000 0.423800 -1.7982E+01 -8.3421E+00 2.6818E+00 H2 5799 1.008000 0.423800 -1.8432E+01 -7.8576E+00 1.1889E+00 O6 5800 15.999400 -0.847600 -1.5054E+01 -1.8496E+00 1.9186E+01 H1 5801 1.008000 0.423800 -1.4280E+01 -1.7023E+00 1.8570E+01 H2 5802 1.008000 0.423800 -1.5139E+01 -1.0701E+00 -1.9291E+01 O6 5803 15.999400 -0.847600 1.7481E+01 -1.2159E+00 1.2422E+01 H1 5804 1.008000 0.423800 1.7217E+01 -1.4336E+00 1.3362E+01 H2 5805 1.008000 0.423800 1.8099E+01 -4.2967E-01 1.2423E+01 O6 5806 15.999400 -0.847600 4.8480E+00 -1.4556E+01 2.8464E+00 H1 5807 1.008000 0.423800 5.8103E+00 -1.4768E+01 2.6754E+00 H2 5808 1.008000 0.423800 4.6413E+00 -1.3641E+01 2.4994E+00 O6 5809 15.999400 -0.847600 4.8712E-01 -4.5887E+00 -1.4974E+01 H1 5810 1.008000 0.423800 1.2336E+00 -5.0985E+00 -1.5402E+01 H2 5811 1.008000 0.423800 3.2187E-01 -4.9474E+00 -1.4056E+01 O6 5812 15.999400 -0.847600 -6.2320E-01 -1.1875E+01 -1.3954E+01 H1 5813 1.008000 0.423800 -1.1541E+00 -1.1642E+01 -1.3139E+01 H2 5814 1.008000 0.423800 -3.2359E-01 -1.2827E+01 -1.3895E+01 O6 5815 15.999400 -0.847600 6.4432E+00 8.7788E+00 -1.5389E+01 H1 5816 1.008000 0.423800 7.3430E+00 8.8835E+00 -1.5813E+01 H2 5817 1.008000 0.423800 5.7336E+00 9.0283E+00 -1.6048E+01 O6 5818 15.999400 -0.847600 8.7549E+00 1.4390E+01 1.1240E+01 H1 5819 1.008000 0.423800 7.8485E+00 1.4103E+01 1.0930E+01 H2 5820 1.008000 0.423800 9.3982E+00 1.4345E+01 1.0476E+01 O6 5821 15.999400 -0.847600 1.1391E+01 1.8031E+01 -3.8410E+00 H1 5822 1.008000 0.423800 1.1568E+01 1.7479E+01 -3.0260E+00 H2 5823 1.008000 0.423800 1.1385E+01 1.7441E+01 -4.6483E+00 O6 5824 15.999400 -0.847600 1.7250E+01 1.8289E+01 1.7896E+01 H1 5825 1.008000 0.423800 1.6972E+01 1.7340E+01 1.7746E+01 H2 5826 1.008000 0.423800 1.7890E+01 1.8566E+01 1.7180E+01 O6 5827 15.999400 -0.847600 1.1986E+01 6.6483E+00 -1.5112E+01 H1 5828 1.008000 0.423800 1.1349E+01 5.9888E+00 -1.5511E+01 H2 5829 1.008000 0.423800 1.1500E+01 7.4958E+00 -1.4900E+01 O6 5830 15.999400 -0.847600 1.1336E+01 -4.7370E+00 -2.7123E+00 H1 5831 1.008000 0.423800 1.1215E+01 -4.2528E+00 -3.5788E+00 H2 5832 1.008000 0.423800 1.1431E+01 -5.7167E+00 -2.8884E+00 O6 5833 15.999400 -0.847600 1.1066E+01 1.0693E+01 -3.1728E+00 H1 5834 1.008000 0.423800 1.1293E+01 1.0481E+01 -4.1234E+00 H2 5835 1.008000 0.423800 1.0255E+01 1.0176E+01 -2.9008E+00 O6 5836 15.999400 -0.847600 4.1608E+00 -1.8517E+01 -1.5921E+01 H1 5837 1.008000 0.423800 5.1526E+00 -1.8390E+01 -1.5938E+01 H2 5838 1.008000 0.423800 3.9296E+00 -1.9252E+01 -1.5284E+01 O6 5839 15.999400 -0.847600 1.2082E+01 -1.0339E+01 1.8828E+01 H1 5840 1.008000 0.423800 1.2129E+01 -9.9087E+00 1.7926E+01 H2 5841 1.008000 0.423800 1.2654E+01 -1.1159E+01 1.8836E+01 O6 5842 15.999400 -0.847600 -1.3080E+01 8.9190E+00 -6.5697E+00 H1 5843 1.008000 0.423800 -1.3073E+01 9.3750E+00 -5.6797E+00 H2 5844 1.008000 0.423800 -1.2218E+01 9.0991E+00 -7.0435E+00 O6 5845 15.999400 -0.847600 -2.9069E+00 1.8650E+01 -1.5833E+01 H1 5846 1.008000 0.423800 -3.5555E+00 1.8783E+01 -1.6582E+01 H2 5847 1.008000 0.423800 -2.0237E+00 1.9047E+01 -1.6082E+01 O6 5848 15.999400 -0.847600 -6.4860E+00 -7.1533E+00 1.6483E+01 H1 5849 1.008000 0.423800 -7.0410E+00 -7.0958E+00 1.5654E+01 H2 5850 1.008000 0.423800 -5.6356E+00 -7.6395E+00 1.6283E+01 O6 5851 15.999400 -0.847600 -1.8323E+01 1.8815E+01 1.6047E+01 H1 5852 1.008000 0.423800 -1.7881E+01 1.7970E+01 1.6349E+01 H2 5853 1.008000 0.423800 -1.9226E+01 1.8603E+01 1.5672E+01 O6 5854 15.999400 -0.847600 1.0728E+01 3.3654E+00 1.5976E+01 H1 5855 1.008000 0.423800 1.0611E+01 3.2026E+00 1.4996E+01 H2 5856 1.008000 0.423800 9.8372E+00 3.5518E+00 1.6391E+01 O6 5857 15.999400 -0.847600 1.8372E+00 1.8448E+01 -9.4013E+00 H1 5858 1.008000 0.423800 1.2800E+00 1.7699E+01 -9.0411E+00 H2 5859 1.008000 0.423800 2.0988E+00 1.9058E+01 -8.6537E+00 O6 5860 15.999400 -0.847600 1.0644E+01 7.7748E+00 -9.3140E+00 H1 5861 1.008000 0.423800 1.0619E+01 6.9799E+00 -9.9203E+00 H2 5862 1.008000 0.423800 9.7769E+00 8.2690E+00 -9.3767E+00 O6 5863 15.999400 -0.847600 3.3227E+00 6.9929E+00 -2.6457E+00 H1 5864 1.008000 0.423800 4.1542E+00 7.5193E+00 -2.8233E+00 H2 5865 1.008000 0.423800 3.3797E+00 6.5761E+00 -1.7385E+00 O6 5866 15.999400 -0.847600 1.1118E+01 1.2094E+00 -1.3659E+00 H1 5867 1.008000 0.423800 1.0487E+01 5.8376E-01 -1.8243E+00 H2 5868 1.008000 0.423800 1.1396E+01 8.1848E-01 -4.8858E-01 O6 5869 15.999400 -0.847600 4.0468E+00 6.2439E+00 -1.6551E+01 H1 5870 1.008000 0.423800 3.8045E+00 6.0510E+00 -1.5600E+01 H2 5871 1.008000 0.423800 4.9581E+00 6.6540E+00 -1.6586E+01 O6 5872 15.999400 -0.847600 1.6876E+01 6.5515E+00 -1.7286E+01 H1 5873 1.008000 0.423800 1.7758E+01 6.1571E+00 -1.7028E+01 H2 5874 1.008000 0.423800 1.6535E+01 7.1225E+00 -1.6539E+01 O6 5875 15.999400 -0.847600 1.5260E+01 -1.2501E+01 1.4866E+01 H1 5876 1.008000 0.423800 1.5672E+01 -1.1677E+01 1.4477E+01 H2 5877 1.008000 0.423800 1.5906E+01 -1.3261E+01 1.4798E+01 O6 5878 15.999400 -0.847600 -1.7023E+01 1.9059E+01 -1.2418E+01 H1 5879 1.008000 0.423800 -1.6974E+01 1.8123E+01 -1.2070E+01 H2 5880 1.008000 0.423800 -1.6338E+01 -1.9475E+01 -1.1956E+01 O6 5881 15.999400 -0.847600 1.5486E+01 1.3837E+01 -4.6128E-01 H1 5882 1.008000 0.423800 1.4966E+01 1.4374E+01 2.0219E-01 H2 5883 1.008000 0.423800 1.6310E+01 1.3475E+01 -2.4512E-02 O6 5884 15.999400 -0.847600 -1.9467E+01 8.2488E+00 -4.7219E+00 H1 5885 1.008000 0.423800 -1.9227E+01 7.7004E+00 -3.9210E+00 H2 5886 1.008000 0.423800 -1.9059E+01 9.1581E+00 -4.6376E+00 O6 5887 15.999400 -0.847600 1.2615E+01 5.8769E+00 -1.2602E+01 H1 5888 1.008000 0.423800 1.3201E+01 5.1252E+00 -1.2300E+01 H2 5889 1.008000 0.423800 1.2738E+01 6.0216E+00 -1.3584E+01 O6 5890 15.999400 -0.847600 8.0392E-01 -4.1756E+00 8.4252E+00 H1 5891 1.008000 0.423800 1.7562E+00 -4.4730E+00 8.4941E+00 H2 5892 1.008000 0.423800 7.1416E-01 -3.5153E+00 7.6796E+00 O6 5893 15.999400 -0.847600 1.0452E+01 5.6519E+00 1.1077E+01 H1 5894 1.008000 0.423800 1.1034E+01 4.8748E+00 1.1316E+01 H2 5895 1.008000 0.423800 9.9963E+00 5.4711E+00 1.0206E+01 O6 5896 15.999400 -0.847600 7.4382E+00 -1.5815E+01 2.4728E+00 H1 5897 1.008000 0.423800 7.7996E+00 -1.4903E+01 2.6688E+00 H2 5898 1.008000 0.423800 8.1592E+00 -1.6495E+01 2.6060E+00 O6 5899 15.999400 -0.847600 -1.6451E+01 -2.0844E+00 -1.6129E+01 H1 5900 1.008000 0.423800 -1.7426E+01 -2.2820E+00 -1.6232E+01 H2 5901 1.008000 0.423800 -1.6092E+01 -1.7204E+00 -1.6989E+01 O6 5902 15.999400 -0.847600 4.4474E-01 1.7238E+00 -6.0674E+00 H1 5903 1.008000 0.423800 1.1162E-01 7.8106E-01 -6.0525E+00 H2 5904 1.008000 0.423800 4.3792E-01 2.0649E+00 -7.0074E+00 O6 5905 15.999400 -0.847600 8.7131E-01 3.7522E+00 -1.2785E+01 H1 5906 1.008000 0.423800 8.1625E-01 3.2421E+00 -1.3643E+01 H2 5907 1.008000 0.423800 1.7398E+00 3.5501E+00 -1.2332E+01 O6 5908 15.999400 -0.847600 -3.5958E+00 7.0402E-01 -1.6221E+01 H1 5909 1.008000 0.423800 -2.6941E+00 2.9851E-01 -1.6371E+01 H2 5910 1.008000 0.423800 -4.0096E+00 3.0253E-01 -1.5404E+01 O6 5911 15.999400 -0.847600 -1.3941E+01 -1.5988E+01 -5.6632E+00 H1 5912 1.008000 0.423800 -1.4319E+01 -1.5627E+01 -4.8104E+00 H2 5913 1.008000 0.423800 -1.4324E+01 -1.6895E+01 -5.8399E+00 O6 5914 15.999400 -0.847600 -1.0362E+00 -2.0311E-01 -1.6697E+01 H1 5915 1.008000 0.423800 -3.1707E-01 -5.4996E-03 -1.7363E+01 H2 5916 1.008000 0.423800 -6.6666E-01 -7.8073E-01 -1.5969E+01 O6 5917 15.999400 -0.847600 1.2281E+01 -1.2609E+01 -1.7291E+01 H1 5918 1.008000 0.423800 1.1559E+01 -1.3283E+01 -1.7132E+01 H2 5919 1.008000 0.423800 1.3055E+01 -1.2801E+01 -1.6688E+01 O6 5920 15.999400 -0.847600 4.5150E+00 -1.4068E+01 7.7758E+00 H1 5921 1.008000 0.423800 5.0267E+00 -1.4298E+01 6.9481E+00 H2 5922 1.008000 0.423800 3.5432E+00 -1.4252E+01 7.6289E+00 O6 5923 15.999400 -0.847600 1.3126E+01 4.5931E+00 -5.6403E+00 H1 5924 1.008000 0.423800 1.4085E+01 4.5051E+00 -5.3708E+00 H2 5925 1.008000 0.423800 1.2929E+01 5.5472E+00 -5.8665E+00 O6 5926 15.999400 -0.847600 -1.2905E+01 -1.0370E+01 1.1858E+01 H1 5927 1.008000 0.423800 -1.3139E+01 -1.0450E+01 1.0889E+01 H2 5928 1.008000 0.423800 -1.2062E+01 -1.0877E+01 1.2040E+01 O6 5929 15.999400 -0.847600 -1.7880E+01 4.7102E+00 -1.3179E+01 H1 5930 1.008000 0.423800 -1.7178E+01 5.3703E+00 -1.3446E+01 H2 5931 1.008000 0.423800 -1.7853E+01 4.5780E+00 -1.2188E+01 O6 5932 15.999400 -0.847600 -3.6323E+00 6.9322E+00 9.5892E-01 H1 5933 1.008000 0.423800 -4.3954E+00 7.0473E+00 1.5949E+00 H2 5934 1.008000 0.423800 -2.8088E+00 7.3448E+00 1.3484E+00 O6 5935 15.999400 -0.847600 -1.9529E+01 2.7003E+00 1.5296E+01 H1 5936 1.008000 0.423800 1.9066E+01 2.9018E+00 1.4455E+01 H2 5937 1.008000 0.423800 1.9122E+01 1.9463E+00 1.5778E+01 O6 5938 15.999400 -0.847600 -3.6829E+00 8.9940E+00 -1.3872E+01 H1 5939 1.008000 0.423800 -4.0254E+00 9.6926E+00 -1.4501E+01 H2 5940 1.008000 0.423800 -4.4460E+00 8.4360E+00 -1.3546E+01 O6 5941 15.999400 -0.847600 -3.8397E+00 -4.0072E+00 -1.7129E-01 H1 5942 1.008000 0.423800 -4.0453E+00 -4.6928E+00 -8.6967E-01 H2 5943 1.008000 0.423800 -4.0801E+00 -3.0993E+00 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-4.7397E+00 1.0825E+00 1.4429E+01 O6 5977 15.999400 -0.847600 1.0675E+01 2.8905E+00 1.3311E+01 H1 5978 1.008000 0.423800 1.1480E+01 2.9221E+00 1.2718E+01 H2 5979 1.008000 0.423800 1.0012E+01 2.2416E+00 1.2939E+01 O6 5980 15.999400 -0.847600 8.4695E+00 7.4159E+00 1.2178E+01 H1 5981 1.008000 0.423800 8.9296E+00 6.6773E+00 1.1686E+01 H2 5982 1.008000 0.423800 8.9031E+00 7.5421E+00 1.3071E+01 O6 5983 15.999400 -0.847600 9.6688E+00 8.7346E-01 -1.1658E+01 H1 5984 1.008000 0.423800 8.7100E+00 7.3574E-01 -1.1410E+01 H2 5985 1.008000 0.423800 1.0131E+01 -1.2076E-02 -1.1708E+01 O6 5986 15.999400 -0.847600 1.0859E-01 -1.2166E+01 -1.2672E+00 H1 5987 1.008000 0.423800 4.9175E-01 -1.1811E+01 -4.1456E-01 H2 5988 1.008000 0.423800 6.7293E-01 -1.2924E+01 -1.5961E+00 O6 5989 15.999400 -0.847600 1.2562E+01 -1.4033E+00 1.9171E+01 H1 5990 1.008000 0.423800 1.2292E+01 -2.3491E+00 1.9352E+01 H2 5991 1.008000 0.423800 1.3181E+01 -1.0897E+00 -1.9206E+01 O6 5992 15.999400 -0.847600 -7.2119E+00 -9.6414E+00 -2.7859E+00 H1 5993 1.008000 0.423800 -7.6100E+00 -8.7356E+00 -2.9316E+00 H2 5994 1.008000 0.423800 -6.9791E+00 -9.7515E+00 -1.8196E+00 O6 5995 15.999400 -0.847600 1.2656E+01 9.4866E+00 8.4282E-01 H1 5996 1.008000 0.423800 1.3473E+01 8.9104E+00 8.2213E-01 H2 5997 1.008000 0.423800 1.2917E+01 1.0440E+01 6.8959E-01 O6 5998 15.999400 -0.847600 -1.9314E+01 6.1838E+00 -6.7572E+00 H1 5999 1.008000 0.423800 -1.9130E+01 6.8938E+00 -6.0774E+00 H2 6000 1.008000 0.423800 -1.8553E+01 6.1374E+00 -7.4049E+00 O6 6001 15.999400 -0.847600 -7.7093E+00 1.9267E+01 1.3602E+01 H1 6002 1.008000 0.423800 -7.7307E+00 1.8887E+01 1.2677E+01 H2 6003 1.008000 0.423800 -6.7763E+00 1.9223E+01 1.3959E+01 O6 6004 15.999400 -0.847600 -8.4919E+00 -3.6103E+00 1.6693E+01 H1 6005 1.008000 0.423800 -8.7483E+00 -3.5103E+00 1.7654E+01 H2 6006 1.008000 0.423800 -8.1311E+00 -2.7422E+00 1.6352E+01 timestep 110001 6006 0 1 0.001000 39.10 0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.3078E+01 1.2699E+01 2.2191E+00 O1 2 15.999400 -1.000000 -1.2274E+01 1.3605E+01 1.0698E+00 O2 3 15.999400 -1.000000 -1.3362E+01 1.1166E+01 1.6204E+00 O3 4 15.999400 -1.000000 -1.2143E+01 1.2593E+01 3.5987E+00 O4 5 15.999400 -1.000000 -1.4533E+01 1.3431E+01 2.5876E+00 CU 6 63.465000 2.000000 -1.1268E+01 1.2161E+01 5.0742E+00 O6 7 15.999400 -0.847600 1.6894E+01 1.2136E+01 1.7856E+01 H1 8 1.008000 0.423800 1.7484E+01 1.1765E+01 1.8573E+01 H2 9 1.008000 0.423800 1.7410E+01 1.2207E+01 1.7003E+01 O6 10 15.999400 -0.847600 1.1636E+01 1.0691E+01 1.3830E+01 H1 11 1.008000 0.423800 1.1228E+01 9.7789E+00 1.3809E+01 H2 12 1.008000 0.423800 1.2130E+01 1.0855E+01 1.2976E+01 O6 13 15.999400 -0.847600 -4.7173E+00 -1.5028E+01 -8.1815E+00 H1 14 1.008000 0.423800 -3.9025E+00 -1.5596E+01 -8.0647E+00 H2 15 1.008000 0.423800 -5.3916E+00 -1.5264E+01 -7.4820E+00 O6 16 15.999400 -0.847600 -6.6092E+00 -1.1553E+01 9.3909E+00 H1 17 1.008000 0.423800 -7.0559E+00 -1.1315E+01 8.5284E+00 H2 18 1.008000 0.423800 -6.3909E+00 -1.2529E+01 9.3948E+00 O6 19 15.999400 -0.847600 -1.0622E+01 1.0181E+01 1.6365E+01 H1 20 1.008000 0.423800 -1.0734E+01 1.0180E+01 1.5371E+01 H2 21 1.008000 0.423800 -1.0857E+01 1.1084E+01 1.6726E+01 O6 22 15.999400 -0.847600 -1.5622E+01 1.5447E+01 1.6275E+01 H1 23 1.008000 0.423800 -1.6594E+01 1.5306E+01 1.6464E+01 H2 24 1.008000 0.423800 -1.5358E+01 1.6368E+01 1.6561E+01 O6 25 15.999400 -0.847600 8.0484E+00 7.8749E+00 6.8989E+00 H1 26 1.008000 0.423800 7.1527E+00 8.3124E+00 6.8204E+00 H2 27 1.008000 0.423800 8.7428E+00 8.4594E+00 6.4792E+00 O6 28 15.999400 -0.847600 -5.5177E+00 4.3154E+00 1.1927E+00 H1 29 1.008000 0.423800 -4.6276E+00 4.2127E+00 1.6367E+00 H2 30 1.008000 0.423800 -5.7578E+00 5.2851E+00 1.1476E+00 O6 31 15.999400 -0.847600 -2.9397E+00 1.7219E+01 -1.8398E+01 H1 32 1.008000 0.423800 -3.1258E+00 1.6862E+01 -1.7482E+01 H2 33 1.008000 0.423800 -2.1367E+00 1.7814E+01 -1.8366E+01 O6 34 15.999400 -0.847600 -1.5254E+01 -1.0052E+00 -1.1467E+01 H1 35 1.008000 0.423800 -1.5569E+01 -1.8686E-01 -1.1948E+01 H2 36 1.008000 0.423800 -1.4294E+01 -8.9334E-01 -1.1212E+01 O6 37 15.999400 -0.847600 5.8203E+00 -9.7417E+00 6.6044E+00 H1 38 1.008000 0.423800 6.6625E+00 -9.2408E+00 6.8040E+00 H2 39 1.008000 0.423800 5.0903E+00 -9.4201E+00 7.2075E+00 O6 40 15.999400 -0.847600 -5.8183E+00 -1.1451E+00 -1.0253E+01 H1 41 1.008000 0.423800 -6.5951E+00 -1.7140E+00 -9.9825E+00 H2 42 1.008000 0.423800 -5.9445E+00 -8.3463E-01 -1.1195E+01 O6 43 15.999400 -0.847600 -2.5854E+00 -9.1988E+00 1.2404E+01 H1 44 1.008000 0.423800 -3.1228E+00 -1.0040E+01 1.2350E+01 H2 45 1.008000 0.423800 -3.0165E+00 -8.5688E+00 1.3050E+01 O6 46 15.999400 -0.847600 -1.0789E+01 -1.3668E-03 -6.3264E+00 H1 47 1.008000 0.423800 -1.0021E+01 5.6467E-02 -5.6897E+00 H2 48 1.008000 0.423800 -1.1647E+01 1.0564E-01 -5.8236E+00 O6 49 15.999400 -0.847600 -1.0409E+01 -1.2485E+01 -5.6684E+00 H1 50 1.008000 0.423800 -1.0528E+01 -1.2875E+01 -4.7555E+00 H2 51 1.008000 0.423800 -1.0744E+01 -1.1543E+01 -5.6744E+00 O6 52 15.999400 -0.847600 -1.8819E+01 -6.2226E+00 2.9721E+00 H1 53 1.008000 0.423800 -1.7985E+01 -6.2261E+00 2.4212E+00 H2 54 1.008000 0.423800 -1.9110E+01 -5.2790E+00 3.1303E+00 O6 55 15.999400 -0.847600 -1.2165E+01 -1.9420E+00 -1.8691E+01 H1 56 1.008000 0.423800 -1.2363E+01 -1.6817E+00 1.9461E+01 H2 57 1.008000 0.423800 -1.2017E+01 -1.1188E+00 -1.8143E+01 O6 58 15.999400 -0.847600 7.7158E+00 -1.2137E+01 -1.2260E+01 H1 59 1.008000 0.423800 7.0871E+00 -1.2516E+01 -1.2939E+01 H2 60 1.008000 0.423800 8.5336E+00 -1.2710E+01 -1.2206E+01 O6 61 15.999400 -0.847600 1.2859E+01 -7.1873E+00 4.0099E+00 H1 62 1.008000 0.423800 1.2395E+01 -6.9345E+00 4.8591E+00 H2 63 1.008000 0.423800 1.2252E+01 -7.7577E+00 3.4561E+00 O6 64 15.999400 -0.847600 4.8134E+00 -1.6429E+01 4.8700E-01 H1 65 1.008000 0.423800 4.5702E+00 -1.7032E+01 -2.7243E-01 H2 66 1.008000 0.423800 5.5861E+00 -1.5852E+01 2.2058E-01 O6 67 15.999400 -0.847600 -1.0464E+01 1.7488E+01 1.3680E+01 H1 68 1.008000 0.423800 -1.0835E+01 1.8365E+01 1.3985E+01 H2 69 1.008000 0.423800 -9.4667E+00 1.7504E+01 1.3754E+01 O6 70 15.999400 -0.847600 1.0621E+01 -4.0059E+00 6.0332E+00 H1 71 1.008000 0.423800 9.6855E+00 -4.0537E+00 6.3841E+00 H2 72 1.008000 0.423800 1.1136E+01 -4.8036E+00 6.3470E+00 O6 73 15.999400 -0.847600 3.0162E+00 1.5211E+01 3.9763E+00 H1 74 1.008000 0.423800 3.8092E+00 1.5233E+01 4.5852E+00 H2 75 1.008000 0.423800 2.1954E+00 1.4997E+01 4.5059E+00 O6 76 15.999400 -0.847600 1.0974E+01 3.3452E+00 -3.9812E+00 H1 77 1.008000 0.423800 1.0436E+01 3.3099E+00 -3.1386E+00 H2 78 1.008000 0.423800 1.0370E+01 3.5458E+00 -4.7531E+00 O6 79 15.999400 -0.847600 6.1452E+00 1.7774E+01 1.3107E+01 H1 80 1.008000 0.423800 5.2520E+00 1.7488E+01 1.2760E+01 H2 81 1.008000 0.423800 6.8209E+00 1.7062E+01 1.2916E+01 O6 82 15.999400 -0.847600 -9.6582E+00 -1.6447E+01 -3.6918E-01 H1 83 1.008000 0.423800 -1.0449E+01 -1.6303E+01 2.2611E-01 H2 84 1.008000 0.423800 -8.9773E+00 -1.5735E+01 -1.9662E-01 O6 85 15.999400 -0.847600 7.3562E+00 2.8573E+00 -7.5397E+00 H1 86 1.008000 0.423800 6.8709E+00 3.6049E+00 -7.9931E+00 H2 87 1.008000 0.423800 7.7546E+00 2.2521E+00 -8.2288E+00 O6 88 15.999400 -0.847600 5.5942E+00 -1.8613E+01 -5.8812E+00 H1 89 1.008000 0.423800 6.3350E+00 -1.8509E+01 -5.2176E+00 H2 90 1.008000 0.423800 5.2372E+00 -1.9546E+01 -5.8380E+00 O6 91 15.999400 -0.847600 -7.1563E-01 -2.2150E+00 2.1430E+00 H1 92 1.008000 0.423800 5.2714E-02 -1.8840E+00 1.5952E+00 H2 93 1.008000 0.423800 -1.5742E+00 -1.9966E+00 1.6792E+00 O6 94 15.999400 -0.847600 -1.2236E+01 6.5664E+00 4.6247E+00 H1 95 1.008000 0.423800 -1.2652E+01 6.9624E+00 3.8063E+00 H2 96 1.008000 0.423800 -1.2699E+01 5.7100E+00 4.8530E+00 O6 97 15.999400 -0.847600 1.1780E+01 -5.9527E+00 1.4367E+01 H1 98 1.008000 0.423800 1.1208E+01 -6.0065E+00 1.3548E+01 H2 99 1.008000 0.423800 1.1809E+01 -5.0074E+00 1.4691E+01 O6 100 15.999400 -0.847600 -2.4691E+00 -1.5143E+01 4.1886E+00 H1 101 1.008000 0.423800 -1.5320E+00 -1.4874E+01 4.4103E+00 H2 102 1.008000 0.423800 -2.5997E+00 -1.6109E+01 4.4123E+00 O6 103 15.999400 -0.847600 1.6387E+01 5.1210E+00 -4.7843E-01 H1 104 1.008000 0.423800 1.7266E+01 4.8556E+00 -8.3038E-02 H2 105 1.008000 0.423800 1.5816E+01 4.3085E+00 -5.9701E-01 O6 106 15.999400 -0.847600 4.4155E+00 1.5740E+01 1.6068E+01 H1 107 1.008000 0.423800 4.9175E+00 1.5706E+01 1.5204E+01 H2 108 1.008000 0.423800 5.0573E+00 1.5888E+01 1.6820E+01 O6 109 15.999400 -0.847600 -9.1937E+00 -1.3454E+01 1.1556E+01 H1 110 1.008000 0.423800 -8.8592E+00 -1.3465E+01 1.0613E+01 H2 111 1.008000 0.423800 -8.8625E+00 -1.2631E+01 1.2017E+01 O6 112 15.999400 -0.847600 5.0236E+00 6.6354E+00 5.7339E+00 H1 113 1.008000 0.423800 5.1113E+00 6.3843E+00 6.6979E+00 H2 114 1.008000 0.423800 5.0196E+00 7.6317E+00 5.6481E+00 O6 115 15.999400 -0.847600 -1.8203E+01 -1.0271E+01 -1.3890E+01 H1 116 1.008000 0.423800 -1.8908E+01 -1.0798E+01 -1.3415E+01 H2 117 1.008000 0.423800 -1.8023E+01 -1.0685E+01 -1.4783E+01 O6 118 15.999400 -0.847600 6.9748E+00 -5.5919E+00 1.0913E+01 H1 119 1.008000 0.423800 6.2802E+00 -5.5394E+00 1.0195E+01 H2 120 1.008000 0.423800 7.3361E+00 -6.5232E+00 1.0960E+01 O6 121 15.999400 -0.847600 -3.0376E+00 3.6824E+00 -3.0033E+00 H1 122 1.008000 0.423800 -2.2021E+00 3.6232E+00 -2.4571E+00 H2 123 1.008000 0.423800 -3.0795E+00 2.9070E+00 -3.6334E+00 O6 124 15.999400 -0.847600 1.2742E+01 9.4440E+00 1.6510E+01 H1 125 1.008000 0.423800 1.3698E+01 9.5450E+00 1.6232E+01 H2 126 1.008000 0.423800 1.2150E+01 9.8780E+00 1.5832E+01 O6 127 15.999400 -0.847600 1.5449E+01 1.4793E+01 1.7897E+01 H1 128 1.008000 0.423800 1.4476E+01 1.4562E+01 1.7903E+01 H2 129 1.008000 0.423800 1.5975E+01 1.4029E+01 1.8268E+01 O6 130 15.999400 -0.847600 1.6173E+01 7.4407E-01 -8.3628E+00 H1 131 1.008000 0.423800 1.5497E+01 4.8267E-01 -7.6737E+00 H2 132 1.008000 0.423800 1.5714E+01 1.2077E+00 -9.1206E+00 O6 133 15.999400 -0.847600 -1.4906E+01 9.9521E+00 5.6671E+00 H1 134 1.008000 0.423800 -1.5323E+01 9.9626E+00 4.7581E+00 H2 135 1.008000 0.423800 -1.5266E+01 9.1793E+00 6.1898E+00 O6 136 15.999400 -0.847600 -1.9433E+01 -1.9371E+00 1.8391E+01 H1 137 1.008000 0.423800 -1.9491E+01 -1.7096E+00 1.7419E+01 H2 138 1.008000 0.423800 1.9039E+01 -1.3521E+00 1.8908E+01 O6 139 15.999400 -0.847600 5.2676E+00 1.8579E+01 -1.0333E+01 H1 140 1.008000 0.423800 5.8117E+00 1.9296E+01 -1.0769E+01 H2 141 1.008000 0.423800 5.5328E+00 1.7688E+01 -1.0701E+01 O6 142 15.999400 -0.847600 -1.8415E+01 1.5962E+01 -3.3622E+00 H1 143 1.008000 0.423800 -1.7802E+01 1.5482E+01 -2.7334E+00 H2 144 1.008000 0.423800 -1.8847E+01 1.5300E+01 -3.9754E+00 O6 145 15.999400 -0.847600 -1.0522E+01 -1.1706E+01 8.5343E+00 H1 146 1.008000 0.423800 -9.8558E+00 -1.1556E+01 7.8034E+00 H2 147 1.008000 0.423800 -1.1325E+01 -1.2172E+01 8.1631E+00 O6 148 15.999400 -0.847600 -1.2202E+01 1.0289E+01 -6.0867E-01 H1 149 1.008000 0.423800 -1.2630E+01 1.0678E+01 -1.4241E+00 H2 150 1.008000 0.423800 -1.2736E+01 1.0538E+01 1.9943E-01 O6 151 15.999400 -0.847600 1.8322E+01 -7.0985E+00 -1.6627E+00 H1 152 1.008000 0.423800 1.9231E+01 -6.6832E+00 -1.6470E+00 H2 153 1.008000 0.423800 1.8002E+01 -7.2365E+00 -7.2529E-01 O6 154 15.999400 -0.847600 1.5421E+01 6.0612E+00 -1.6347E+01 H1 155 1.008000 0.423800 1.6381E+01 5.9095E+00 -1.6112E+01 H2 156 1.008000 0.423800 1.5342E+01 6.2416E+00 -1.7328E+01 O6 157 15.999400 -0.847600 1.2482E+01 -1.2973E+00 -1.1152E+01 H1 158 1.008000 0.423800 1.3441E+01 -1.4908E+00 -1.1360E+01 H2 159 1.008000 0.423800 1.2097E+01 -2.0532E+00 -1.0623E+01 O6 160 15.999400 -0.847600 -1.1823E+01 1.1169E+01 -1.5381E+01 H1 161 1.008000 0.423800 -1.2361E+01 1.1787E+01 -1.5956E+01 H2 162 1.008000 0.423800 -1.1277E+01 1.1705E+01 -1.4738E+01 O6 163 15.999400 -0.847600 5.8299E+00 1.1426E+01 -1.1240E+00 H1 164 1.008000 0.423800 5.5862E+00 1.2379E+01 -1.3060E+00 H2 165 1.008000 0.423800 5.4980E+00 1.0849E+01 -1.8701E+00 O6 166 15.999400 -0.847600 1.5471E+01 3.8842E+00 1.7262E+01 H1 167 1.008000 0.423800 1.5481E+01 4.1732E+00 1.8219E+01 H2 168 1.008000 0.423800 1.4532E+01 3.6778E+00 1.6986E+01 O6 169 15.999400 -0.847600 -5.8603E+00 -1.8665E+01 1.0997E+01 H1 170 1.008000 0.423800 -5.3015E+00 -1.8523E+01 1.1814E+01 H2 171 1.008000 0.423800 -6.2581E+00 1.9516E+01 1.1021E+01 O6 172 15.999400 -0.847600 -1.8171E+00 1.3531E+01 4.3358E+00 H1 173 1.008000 0.423800 -2.1141E+00 1.2576E+01 4.3501E+00 H2 174 1.008000 0.423800 -2.1280E+00 1.3964E+01 3.4898E+00 O6 175 15.999400 -0.847600 -7.7642E+00 -1.8244E+01 -9.8314E-01 H1 176 1.008000 0.423800 -7.8330E+00 -1.8759E+01 -1.2815E-01 H2 177 1.008000 0.423800 -8.4970E+00 -1.7565E+01 -1.0234E+00 O6 178 15.999400 -0.847600 1.4939E+01 1.5922E+01 7.3521E+00 H1 179 1.008000 0.423800 1.5488E+01 1.5207E+01 7.7851E+00 H2 180 1.008000 0.423800 1.5357E+01 1.6182E+01 6.4815E+00 O6 181 15.999400 -0.847600 1.7125E+01 1.3150E+01 -1.2781E+01 H1 182 1.008000 0.423800 1.7430E+01 1.3738E+01 -1.2031E+01 H2 183 1.008000 0.423800 1.6377E+01 1.2568E+01 -1.2464E+01 O6 184 15.999400 -0.847600 -9.6495E+00 -5.2942E+00 1.2014E+01 H1 185 1.008000 0.423800 -9.0832E+00 -6.1183E+00 1.2009E+01 H2 186 1.008000 0.423800 -9.2900E+00 -4.6469E+00 1.2686E+01 O6 187 15.999400 -0.847600 1.9717E+00 -1.3824E+01 1.3506E+01 H1 188 1.008000 0.423800 1.7688E+00 -1.3077E+01 1.2873E+01 H2 189 1.008000 0.423800 1.4238E+00 -1.4625E+01 1.3264E+01 O6 190 15.999400 -0.847600 -9.8704E+00 -1.0522E+01 1.5220E+01 H1 191 1.008000 0.423800 -9.0621E+00 -9.9343E+00 1.5183E+01 H2 192 1.008000 0.423800 -1.0651E+01 -1.0040E+01 1.4823E+01 O6 193 15.999400 -0.847600 -8.4441E+00 1.9439E+01 1.8051E+01 H1 194 1.008000 0.423800 -7.5333E+00 1.9246E+01 1.7686E+01 H2 195 1.008000 0.423800 -8.9917E+00 -1.9196E+01 1.7353E+01 O6 196 15.999400 -0.847600 -6.2038E+00 1.3922E+01 -3.9988E+00 H1 197 1.008000 0.423800 -5.7685E+00 1.3120E+01 -3.5886E+00 H2 198 1.008000 0.423800 -6.2972E+00 1.3782E+01 -4.9846E+00 O6 199 15.999400 -0.847600 -5.7317E+00 -1.0689E+01 -1.0730E+01 H1 200 1.008000 0.423800 -6.0644E+00 -1.0011E+01 -1.0075E+01 H2 201 1.008000 0.423800 -6.0403E+00 -1.0445E+01 -1.1649E+01 O6 202 15.999400 -0.847600 1.7736E+01 -1.3667E+00 -4.3206E+00 H1 203 1.008000 0.423800 1.8109E+01 -2.1074E+00 -3.7613E+00 H2 204 1.008000 0.423800 1.7123E+01 -8.0547E-01 -3.7649E+00 O6 205 15.999400 -0.847600 1.2033E+01 -6.2688E+00 6.8317E+00 H1 206 1.008000 0.423800 1.2878E+01 -5.8480E+00 7.1633E+00 H2 207 1.008000 0.423800 1.1839E+01 -7.0916E+00 7.3658E+00 O6 208 15.999400 -0.847600 1.4380E+01 5.3036E+00 -1.3787E+01 H1 209 1.008000 0.423800 1.3595E+01 5.2912E+00 -1.3167E+01 H2 210 1.008000 0.423800 1.4063E+01 5.1895E+00 -1.4729E+01 O6 211 15.999400 -0.847600 9.6112E+00 -1.8532E+01 -7.8703E+00 H1 212 1.008000 0.423800 8.6888E+00 -1.8465E+01 -8.2508E+00 H2 213 1.008000 0.423800 9.5558E+00 -1.8618E+01 -6.8756E+00 O6 214 15.999400 -0.847600 -5.8909E+00 -6.5359E+00 -1.1552E+01 H1 215 1.008000 0.423800 -6.1591E+00 -6.1324E+00 -1.0677E+01 H2 216 1.008000 0.423800 -6.5115E+00 -7.2872E+00 -1.1776E+01 O6 217 15.999400 -0.847600 8.1515E+00 -8.5248E+00 7.1471E+00 H1 218 1.008000 0.423800 8.3203E+00 -8.1110E+00 6.2525E+00 H2 219 1.008000 0.423800 9.0132E+00 -8.8625E+00 7.5260E+00 O6 220 15.999400 -0.847600 1.8646E+00 -6.8697E+00 5.9625E+00 H1 221 1.008000 0.423800 2.4207E+00 -7.5648E+00 6.4181E+00 H2 222 1.008000 0.423800 2.1609E+00 -6.7762E+00 5.0120E+00 O6 223 15.999400 -0.847600 1.1650E+01 1.5678E+01 1.4773E+01 H1 224 1.008000 0.423800 1.0859E+01 1.6285E+01 1.4695E+01 H2 225 1.008000 0.423800 1.2275E+01 1.5845E+01 1.4011E+01 O6 226 15.999400 -0.847600 -8.3057E+00 1.4686E+01 1.7465E+01 H1 227 1.008000 0.423800 -8.5601E+00 1.4973E+01 1.8388E+01 H2 228 1.008000 0.423800 -7.7559E+00 1.3853E+01 1.7514E+01 O6 229 15.999400 -0.847600 -8.9103E+00 8.4317E+00 -5.4016E+00 H1 230 1.008000 0.423800 -9.0353E+00 7.4989E+00 -5.7396E+00 H2 231 1.008000 0.423800 -8.1411E+00 8.8583E+00 -5.8772E+00 O6 232 15.999400 -0.847600 1.6801E+01 -4.2225E+00 -9.8414E+00 H1 233 1.008000 0.423800 1.7253E+01 -4.6297E+00 -1.0635E+01 H2 234 1.008000 0.423800 1.6830E+01 -3.2258E+00 -9.9162E+00 O6 235 15.999400 -0.847600 5.7585E+00 -5.4922E+00 6.0647E+00 H1 236 1.008000 0.423800 5.1958E+00 -4.6740E+00 6.1830E+00 H2 237 1.008000 0.423800 5.7593E+00 -5.7597E+00 5.1012E+00 O6 238 15.999400 -0.847600 5.3416E+00 -1.2871E+01 3.0811E+00 H1 239 1.008000 0.423800 5.7801E+00 -1.2334E+01 2.3605E+00 H2 240 1.008000 0.423800 5.5577E+00 -1.3839E+01 2.9534E+00 O6 241 15.999400 -0.847600 1.8392E+01 5.5797E-01 -1.3464E+01 H1 242 1.008000 0.423800 1.7403E+01 6.6274E-01 -1.3356E+01 H2 243 1.008000 0.423800 1.8766E+01 8.3316E-02 -1.2667E+01 O6 244 15.999400 -0.847600 -1.6100E+01 -1.0364E+01 6.2695E+00 H1 245 1.008000 0.423800 -1.6132E+01 -1.0855E+01 5.3990E+00 H2 246 1.008000 0.423800 -1.7031E+01 -1.0150E+01 6.5654E+00 O6 247 15.999400 -0.847600 1.5688E+00 -8.7291E+00 1.5680E+00 H1 248 1.008000 0.423800 1.7946E+00 -9.4777E+00 9.4455E-01 H2 249 1.008000 0.423800 1.4509E+00 -9.0900E+00 2.4931E+00 O6 250 15.999400 -0.847600 -1.2974E+01 1.5785E+01 -1.1119E+01 H1 251 1.008000 0.423800 -1.2346E+01 1.6561E+01 -1.1061E+01 H2 252 1.008000 0.423800 -1.3054E+01 1.5353E+01 -1.0221E+01 O6 253 15.999400 -0.847600 8.4564E+00 2.0441E+00 1.5410E+01 H1 254 1.008000 0.423800 7.8331E+00 2.5921E+00 1.5968E+01 H2 255 1.008000 0.423800 9.0078E+00 1.4584E+00 1.6004E+01 O6 256 15.999400 -0.847600 -3.3929E+00 1.1478E+01 1.1957E-01 H1 257 1.008000 0.423800 -2.5150E+00 1.1948E+01 2.9678E-02 H2 258 1.008000 0.423800 -4.0810E+00 1.1948E+01 -4.3293E-01 O6 259 15.999400 -0.847600 -7.8148E+00 1.4173E+01 9.1211E-02 H1 260 1.008000 0.423800 -8.6181E+00 1.3974E+01 6.5262E-01 H2 261 1.008000 0.423800 -7.8355E+00 1.3606E+01 -7.3272E-01 O6 262 15.999400 -0.847600 3.9638E+00 -2.5496E+00 1.4671E+01 H1 263 1.008000 0.423800 3.2079E+00 -1.8991E+00 1.4745E+01 H2 264 1.008000 0.423800 3.7274E+00 -3.2617E+00 1.4010E+01 O6 265 15.999400 -0.847600 -1.7578E+01 8.2935E+00 -9.5970E+00 H1 266 1.008000 0.423800 -1.7995E+01 7.6782E+00 -1.0266E+01 H2 267 1.008000 0.423800 -1.6718E+01 8.6492E+00 -9.9620E+00 O6 268 15.999400 -0.847600 -1.5709E+00 8.0258E+00 1.1829E+01 H1 269 1.008000 0.423800 -2.3415E+00 8.6557E+00 1.1732E+01 H2 270 1.008000 0.423800 -1.6638E+00 7.2810E+00 1.1168E+01 O6 271 15.999400 -0.847600 2.1946E+00 -6.7689E-01 -1.5568E+01 H1 272 1.008000 0.423800 1.7192E+00 1.3206E-01 -1.5222E+01 H2 273 1.008000 0.423800 1.7255E+00 -1.5006E+00 -1.5250E+01 O6 274 15.999400 -0.847600 -7.5035E+00 -1.1990E+01 7.0610E-01 H1 275 1.008000 0.423800 -7.8907E+00 -1.1840E+01 1.6158E+00 H2 276 1.008000 0.423800 -6.5894E+00 -1.2385E+01 7.9410E-01 O6 277 15.999400 -0.847600 7.2198E+00 -2.9268E+00 1.7773E+01 H1 278 1.008000 0.423800 7.6426E+00 -2.5003E+00 1.6973E+01 H2 279 1.008000 0.423800 6.4501E+00 -2.3677E+00 1.8081E+01 O6 280 15.999400 -0.847600 -8.4583E+00 7.9178E+00 1.1975E+01 H1 281 1.008000 0.423800 -9.4350E+00 7.9670E+00 1.2185E+01 H2 282 1.008000 0.423800 -8.2942E+00 8.2895E+00 1.1062E+01 O6 283 15.999400 -0.847600 1.3696E+01 -1.3848E+00 7.7968E+00 H1 284 1.008000 0.423800 1.3116E+01 -1.5283E+00 6.9955E+00 H2 285 1.008000 0.423800 1.3166E+01 -1.5546E+00 8.6274E+00 O6 286 15.999400 -0.847600 -7.0375E+00 -1.0333E+01 -1.6316E+01 H1 287 1.008000 0.423800 -7.8838E+00 -1.0148E+01 -1.6816E+01 H2 288 1.008000 0.423800 -6.5727E+00 -9.4706E+00 -1.6116E+01 O6 289 15.999400 -0.847600 -1.0126E+01 -7.8864E+00 -1.5521E+00 H1 290 1.008000 0.423800 -1.0479E+01 -7.5685E+00 -6.7220E-01 H2 291 1.008000 0.423800 -9.3004E+00 -8.4306E+00 -1.4028E+00 O6 292 15.999400 -0.847600 -5.5784E+00 -5.7038E+00 -3.1344E+00 H1 293 1.008000 0.423800 -6.2168E+00 -5.8716E+00 -2.3832E+00 H2 294 1.008000 0.423800 -5.8041E+00 -4.8354E+00 -3.5759E+00 O6 295 15.999400 -0.847600 1.9174E+01 9.2518E+00 -2.8854E+00 H1 296 1.008000 0.423800 -1.9015E+01 8.8421E+00 -2.9666E+00 H2 297 1.008000 0.423800 1.8721E+01 8.8994E+00 -2.0663E+00 O6 298 15.999400 -0.847600 5.2419E+00 9.0611E+00 -1.0484E+01 H1 299 1.008000 0.423800 4.9312E+00 8.1460E+00 -1.0227E+01 H2 300 1.008000 0.423800 5.4843E+00 9.0705E+00 -1.1454E+01 O6 301 15.999400 -0.847600 -2.1091E-01 -9.8236E+00 -1.7356E+01 H1 302 1.008000 0.423800 -1.4879E-01 -8.8548E+00 -1.7597E+01 H2 303 1.008000 0.423800 -8.9105E-01 -9.9448E+00 -1.6633E+01 O6 304 15.999400 -0.847600 3.2723E+00 -2.6822E+00 -1.0982E+00 H1 305 1.008000 0.423800 3.4200E+00 -3.6703E+00 -1.1415E+00 H2 306 1.008000 0.423800 4.1033E+00 -2.2080E+00 -1.3889E+00 O6 307 15.999400 -0.847600 1.1607E+01 -1.5796E+01 -1.1585E+01 H1 308 1.008000 0.423800 1.1833E+01 -1.6561E+01 -1.2189E+01 H2 309 1.008000 0.423800 1.1352E+01 -1.6147E+01 -1.0684E+01 O6 310 15.999400 -0.847600 1.1860E+01 -9.9435E+00 -6.8775E+00 H1 311 1.008000 0.423800 1.1204E+01 -9.3291E+00 -7.3165E+00 H2 312 1.008000 0.423800 1.2056E+01 -9.6159E+00 -5.9534E+00 O6 313 15.999400 -0.847600 -1.0873E+01 -5.9011E+00 5.3899E+00 H1 314 1.008000 0.423800 -1.0299E+01 -5.1094E+00 5.6016E+00 H2 315 1.008000 0.423800 -1.0573E+01 -6.3083E+00 4.5272E+00 O6 316 15.999400 -0.847600 -1.4758E+01 1.7443E+01 -3.9330E+00 H1 317 1.008000 0.423800 -1.4155E+01 1.6650E+01 -3.8387E+00 H2 318 1.008000 0.423800 -1.4335E+01 1.8236E+01 -3.4944E+00 O6 319 15.999400 -0.847600 1.8926E+01 -9.9855E+00 1.3726E+01 H1 320 1.008000 0.423800 1.8356E+01 -9.9143E+00 1.2908E+01 H2 321 1.008000 0.423800 -1.9527E+01 -1.0743E+01 1.3619E+01 O6 322 15.999400 -0.847600 -1.8127E+01 1.8873E+01 -1.6246E+01 H1 323 1.008000 0.423800 -1.8697E+01 1.9414E+01 -1.5627E+01 H2 324 1.008000 0.423800 -1.7169E+01 1.9139E+01 -1.6134E+01 O6 325 15.999400 -0.847600 -1.4222E+00 -1.3330E+01 -1.3694E+01 H1 326 1.008000 0.423800 -1.0443E+00 -1.3044E+01 -1.2813E+01 H2 327 1.008000 0.423800 -1.9745E+00 -1.4154E+01 -1.3568E+01 O6 328 15.999400 -0.847600 -3.2601E+00 1.6406E+01 -6.7560E+00 H1 329 1.008000 0.423800 -2.8203E+00 1.5788E+01 -6.1041E+00 H2 330 1.008000 0.423800 -2.5611E+00 1.6860E+01 -7.3083E+00 O6 331 15.999400 -0.847600 1.4169E+01 -2.2060E+00 -7.4718E+00 H1 332 1.008000 0.423800 1.4174E+01 -1.2495E+00 -7.1800E+00 H2 333 1.008000 0.423800 1.5002E+01 -2.6570E+00 -7.1520E+00 O6 334 15.999400 -0.847600 -1.8952E+01 -1.6855E+01 -1.7358E+01 H1 335 1.008000 0.423800 -1.8758E+01 -1.6492E+01 -1.6447E+01 H2 336 1.008000 0.423800 1.9517E+01 -1.6241E+01 -1.7835E+01 O6 337 15.999400 -0.847600 -8.9345E-01 -5.9613E+00 1.5493E+01 H1 338 1.008000 0.423800 -1.4047E+00 -6.8113E+00 1.5620E+01 H2 339 1.008000 0.423800 -4.1074E-01 -5.7331E+00 1.6339E+01 O6 340 15.999400 -0.847600 1.7234E+00 -9.9435E-01 1.4504E+01 H1 341 1.008000 0.423800 1.1974E+00 -1.8448E+00 1.4492E+01 H2 342 1.008000 0.423800 1.4806E+00 -4.6412E-01 1.5317E+01 O6 343 15.999400 -0.847600 5.0955E-01 -1.6624E+01 -3.5044E-01 H1 344 1.008000 0.423800 9.3668E-01 -1.6546E+01 5.5038E-01 H2 345 1.008000 0.423800 -2.2828E-01 -1.5954E+01 -4.2875E-01 O6 346 15.999400 -0.847600 1.8743E+01 -8.4429E+00 -8.0164E+00 H1 347 1.008000 0.423800 1.9422E+01 -8.1720E+00 -8.6991E+00 H2 348 1.008000 0.423800 1.8145E+01 -7.6674E+00 -7.8154E+00 O6 349 15.999400 -0.847600 -3.1054E-03 -1.7832E+01 1.9279E+01 H1 350 1.008000 0.423800 6.0146E-01 -1.7153E+01 -1.9403E+01 H2 351 1.008000 0.423800 5.3520E-01 -1.8453E+01 1.8709E+01 O6 352 15.999400 -0.847600 -1.3356E+01 -1.9267E+01 1.5856E+01 H1 353 1.008000 0.423800 -1.2870E+01 -1.8864E+01 1.5080E+01 H2 354 1.008000 0.423800 -1.3301E+01 -1.8650E+01 1.6641E+01 O6 355 15.999400 -0.847600 3.7698E+00 -5.1995E+00 -2.0111E+00 H1 356 1.008000 0.423800 3.9476E+00 -6.1796E+00 -2.0990E+00 H2 357 1.008000 0.423800 4.0910E+00 -4.7275E+00 -2.8321E+00 O6 358 15.999400 -0.847600 1.1352E+01 -1.2080E+01 6.3813E-01 H1 359 1.008000 0.423800 1.1790E+01 -1.1183E+01 6.9289E-01 H2 360 1.008000 0.423800 1.1428E+01 -1.2432E+01 -2.9498E-01 O6 361 15.999400 -0.847600 -1.3280E+01 -9.7944E+00 5.3838E+00 H1 362 1.008000 0.423800 -1.4145E+01 -1.0119E+01 5.7670E+00 H2 363 1.008000 0.423800 -1.3462E+01 -9.0861E+00 4.7019E+00 O6 364 15.999400 -0.847600 7.4954E+00 6.0461E-01 -5.7519E+00 H1 365 1.008000 0.423800 7.0573E+00 7.5944E-01 -4.8663E+00 H2 366 1.008000 0.423800 7.3120E+00 1.3811E+00 -6.3547E+00 O6 367 15.999400 -0.847600 5.7760E+00 -9.1685E+00 -6.3424E+00 H1 368 1.008000 0.423800 5.5448E+00 -9.8171E+00 -7.0676E+00 H2 369 1.008000 0.423800 6.6725E+00 -9.3978E+00 -5.9635E+00 O6 370 15.999400 -0.847600 1.8154E+01 1.4656E+01 -8.0700E+00 H1 371 1.008000 0.423800 1.9146E+01 1.4532E+01 -8.0327E+00 H2 372 1.008000 0.423800 1.7766E+01 1.4515E+01 -7.1590E+00 O6 373 15.999400 -0.847600 5.9346E+00 -1.5822E+01 -7.0779E+00 H1 374 1.008000 0.423800 5.4246E+00 -1.6483E+01 -6.5276E+00 H2 375 1.008000 0.423800 5.3021E+00 -1.5323E+01 -7.6708E+00 O6 376 15.999400 -0.847600 -1.4875E+01 1.8624E+01 1.3897E+01 H1 377 1.008000 0.423800 -1.4342E+01 1.8788E+01 1.4727E+01 H2 378 1.008000 0.423800 -1.5703E+01 1.8113E+01 1.4128E+01 O6 379 15.999400 -0.847600 -9.5542E+00 -7.3769E+00 1.5079E+01 H1 380 1.008000 0.423800 -1.0498E+01 -7.6949E+00 1.4993E+01 H2 381 1.008000 0.423800 -9.1315E+00 -7.3388E+00 1.4173E+01 O6 382 15.999400 -0.847600 3.6043E+00 -1.9354E+01 -1.3404E+01 H1 383 1.008000 0.423800 4.2793E+00 -1.8864E+01 -1.2852E+01 H2 384 1.008000 0.423800 3.5569E+00 1.8791E+01 -1.3104E+01 O6 385 15.999400 -0.847600 1.5898E+00 -1.7379E+01 -9.7763E+00 H1 386 1.008000 0.423800 2.3245E+00 -1.6791E+01 -1.0114E+01 H2 387 1.008000 0.423800 1.1808E+00 -1.7874E+01 -1.0543E+01 O6 388 15.999400 -0.847600 1.6293E+01 1.7324E+01 -1.3975E+00 H1 389 1.008000 0.423800 1.6162E+01 1.6666E+01 -6.5562E-01 H2 390 1.008000 0.423800 1.7259E+01 1.7349E+01 -1.6529E+00 O6 391 15.999400 -0.847600 -8.8657E+00 2.7874E+00 -1.2864E+01 H1 392 1.008000 0.423800 -9.7718E+00 3.1977E+00 -1.2760E+01 H2 393 1.008000 0.423800 -8.8164E+00 1.9471E+00 -1.2324E+01 O6 394 15.999400 -0.847600 -4.4094E+00 -2.9955E+00 -1.3781E+01 H1 395 1.008000 0.423800 -4.8579E+00 -2.2202E+00 -1.3336E+01 H2 396 1.008000 0.423800 -4.4620E+00 -2.8864E+00 -1.4773E+01 O6 397 15.999400 -0.847600 1.2975E+01 -1.3163E+01 -1.8434E+01 H1 398 1.008000 0.423800 1.3690E+01 -1.3665E+01 -1.8922E+01 H2 399 1.008000 0.423800 1.3320E+01 -1.2261E+01 -1.8173E+01 O6 400 15.999400 -0.847600 1.5591E+01 -1.0575E+01 -1.4434E+00 H1 401 1.008000 0.423800 1.5340E+01 -9.8666E+00 -2.1025E+00 H2 402 1.008000 0.423800 1.6406E+01 -1.0288E+01 -9.3961E-01 O6 403 15.999400 -0.847600 -2.8422E+00 3.6090E+00 2.2441E+00 H1 404 1.008000 0.423800 -2.7920E+00 2.7222E+00 2.7037E+00 H2 405 1.008000 0.423800 -1.9188E+00 3.9221E+00 2.0223E+00 O6 406 15.999400 -0.847600 -1.3367E+01 -1.8683E+01 1.6516E+00 H1 407 1.008000 0.423800 -1.2749E+01 -1.9469E+01 1.6096E+00 H2 408 1.008000 0.423800 -1.4037E+01 -1.8747E+01 9.1254E-01 O6 409 15.999400 -0.847600 -1.7103E+01 1.7725E+01 7.8866E+00 H1 410 1.008000 0.423800 -1.7828E+01 1.7042E+01 7.7885E+00 H2 411 1.008000 0.423800 -1.6249E+01 1.7358E+01 7.5192E+00 O6 412 15.999400 -0.847600 1.5533E+01 -1.2792E+01 1.9240E+01 H1 413 1.008000 0.423800 1.6243E+01 -1.2307E+01 1.8731E+01 H2 414 1.008000 0.423800 1.5465E+01 -1.3731E+01 1.8905E+01 O6 415 15.999400 -0.847600 -1.3345E+01 5.2835E-01 -4.9658E+00 H1 416 1.008000 0.423800 -1.3767E+01 -2.2246E-01 -5.4734E+00 H2 417 1.008000 0.423800 -1.3788E+01 1.3897E+00 -5.2145E+00 O6 418 15.999400 -0.847600 -7.6140E+00 -7.3490E+00 1.3053E+01 H1 419 1.008000 0.423800 -7.3617E+00 -7.8959E+00 1.2255E+01 H2 420 1.008000 0.423800 -7.0246E+00 -6.5429E+00 1.3105E+01 O6 421 15.999400 -0.847600 1.0064E+01 1.7186E+01 -8.8197E+00 H1 422 1.008000 0.423800 1.0767E+01 1.7820E+01 -8.4970E+00 H2 423 1.008000 0.423800 9.1594E+00 1.7582E+01 -8.6598E+00 O6 424 15.999400 -0.847600 7.0308E+00 1.4079E+01 -2.2743E+00 H1 425 1.008000 0.423800 6.9537E+00 1.3437E+01 -3.0370E+00 H2 426 1.008000 0.423800 7.9965E+00 1.4251E+01 -2.0791E+00 O6 427 15.999400 -0.847600 1.6195E+01 -1.3245E+01 8.2720E-01 H1 428 1.008000 0.423800 1.6930E+01 -1.2602E+01 1.0435E+00 H2 429 1.008000 0.423800 1.5807E+01 -1.3019E+01 -6.6046E-02 O6 430 15.999400 -0.847600 4.6604E+00 -7.7654E+00 -2.0065E+00 H1 431 1.008000 0.423800 4.5893E+00 -8.3162E+00 -2.8381E+00 H2 432 1.008000 0.423800 5.0382E+00 -8.3239E+00 -1.2681E+00 O6 433 15.999400 -0.847600 1.9383E+01 2.3681E+00 -2.1669E+00 H1 434 1.008000 0.423800 -1.9387E+01 3.1246E+00 -1.6006E+00 H2 435 1.008000 0.423800 1.8711E+01 1.8344E+00 -1.6541E+00 O6 436 15.999400 -0.847600 -5.8462E+00 -1.5648E+01 4.8731E-01 H1 437 1.008000 0.423800 -5.7306E+00 -1.6269E+01 1.2629E+00 H2 438 1.008000 0.423800 -5.4678E+00 -1.6070E+01 -3.3649E-01 O6 439 15.999400 -0.847600 2.6191E+00 -1.3183E+01 5.8926E+00 H1 440 1.008000 0.423800 2.7189E+00 -1.4129E+01 6.2001E+00 H2 441 1.008000 0.423800 3.5173E+00 -1.2813E+01 5.6549E+00 O6 442 15.999400 -0.847600 9.4664E+00 1.8979E+01 1.0623E+01 H1 443 1.008000 0.423800 8.5196E+00 1.9155E+01 1.0892E+01 H2 444 1.008000 0.423800 1.0065E+01 -1.9439E+01 1.1046E+01 O6 445 15.999400 -0.847600 -1.3381E+01 -1.4859E+01 3.0638E+00 H1 446 1.008000 0.423800 -1.4229E+01 -1.4984E+01 2.5493E+00 H2 447 1.008000 0.423800 -1.3597E+01 -1.4659E+01 4.0195E+00 O6 448 15.999400 -0.847600 1.5123E+01 -1.7804E+01 8.4277E+00 H1 449 1.008000 0.423800 1.5034E+01 -1.6864E+01 8.7562E+00 H2 450 1.008000 0.423800 1.4357E+01 -1.8350E+01 8.7679E+00 O6 451 15.999400 -0.847600 -8.9151E-01 1.8526E+01 7.1773E+00 H1 452 1.008000 0.423800 -2.5970E-03 1.8309E+01 6.7737E+00 H2 453 1.008000 0.423800 -1.6188E+00 1.8254E+01 6.5475E+00 O6 454 15.999400 -0.847600 3.3721E+00 5.3343E+00 1.7737E+01 H1 455 1.008000 0.423800 3.2014E+00 6.2973E+00 1.7945E+01 H2 456 1.008000 0.423800 3.7494E+00 4.8803E+00 1.8544E+01 O6 457 15.999400 -0.847600 8.1077E-01 -1.3778E+01 -1.9054E+01 H1 458 1.008000 0.423800 1.1791E+00 -1.3142E+01 1.9365E+01 H2 459 1.008000 0.423800 5.3338E-01 -1.3271E+01 -1.8238E+01 O6 460 15.999400 -0.847600 6.3562E+00 -9.7025E+00 2.2590E+00 H1 461 1.008000 0.423800 5.7732E+00 -9.7630E+00 1.4487E+00 H2 462 1.008000 0.423800 5.7954E+00 -9.4835E+00 3.0574E+00 O6 463 15.999400 -0.847600 4.8254E+00 9.9378E+00 1.1452E+00 H1 464 1.008000 0.423800 4.2789E+00 1.0451E+01 1.8073E+00 H2 465 1.008000 0.423800 4.9315E+00 1.0478E+01 3.1066E-01 O6 466 15.999400 -0.847600 -1.7615E+01 -6.0892E+00 1.0927E+01 H1 467 1.008000 0.423800 -1.8595E+01 -6.2142E+00 1.1084E+01 H2 468 1.008000 0.423800 -1.7243E+01 -5.4694E+00 1.1618E+01 O6 469 15.999400 -0.847600 -1.6448E+01 1.3994E+01 -1.8264E+00 H1 470 1.008000 0.423800 -1.7064E+01 1.3313E+01 -2.2214E+00 H2 471 1.008000 0.423800 -1.5502E+01 1.3685E+01 -1.9254E+00 O6 472 15.999400 -0.847600 -1.1378E+01 -1.1443E+01 4.0276E+00 H1 473 1.008000 0.423800 -1.1391E+01 -1.1167E+01 3.0667E+00 H2 474 1.008000 0.423800 -1.2023E+01 -1.0882E+01 4.5450E+00 O6 475 15.999400 -0.847600 8.1603E+00 1.0638E+01 8.6452E-02 H1 476 1.008000 0.423800 8.8420E+00 1.1228E+01 -3.4532E-01 H2 477 1.008000 0.423800 7.2832E+00 1.0743E+01 -3.8211E-01 O6 478 15.999400 -0.847600 1.7030E+01 -6.9838E-01 4.1994E+00 H1 479 1.008000 0.423800 1.7632E+01 5.7068E-02 4.4603E+00 H2 480 1.008000 0.423800 1.6089E+01 -4.7907E-01 4.4558E+00 O6 481 15.999400 -0.847600 -1.7735E+01 -1.7841E+01 -1.4522E-01 H1 482 1.008000 0.423800 -1.8307E+01 -1.8358E+01 4.9146E-01 H2 483 1.008000 0.423800 -1.6893E+01 -1.8349E+01 -3.2586E-01 O6 484 15.999400 -0.847600 1.3390E+01 9.4392E-01 -1.2330E+01 H1 485 1.008000 0.423800 1.2773E+01 1.6879E+00 -1.2587E+01 H2 486 1.008000 0.423800 1.2881E+01 2.5042E-01 -1.1820E+01 O6 487 15.999400 -0.847600 -4.9462E+00 -3.5919E+00 -3.3085E-01 H1 488 1.008000 0.423800 -4.0628E+00 -4.0596E+00 -3.6103E-01 H2 489 1.008000 0.423800 -5.3854E+00 -3.7657E+00 5.5054E-01 O6 490 15.999400 -0.847600 -1.2118E+01 1.9199E+01 -5.4883E+00 H1 491 1.008000 0.423800 -1.1242E+01 1.9526E+01 -5.8432E+00 H2 492 1.008000 0.423800 -1.2014E+01 1.8945E+01 -4.5267E+00 O6 493 15.999400 -0.847600 -1.5176E+01 -4.0095E+00 -1.0714E+01 H1 494 1.008000 0.423800 -1.5320E+01 -4.7812E+00 -1.1333E+01 H2 495 1.008000 0.423800 -1.4325E+01 -3.5423E+00 -1.0955E+01 O6 496 15.999400 -0.847600 -1.5880E+01 2.1382E+00 -1.7012E+00 H1 497 1.008000 0.423800 -1.4968E+01 1.7581E+00 -1.5508E+00 H2 498 1.008000 0.423800 -1.6558E+01 1.4039E+00 -1.6610E+00 O6 499 15.999400 -0.847600 -1.5339E+01 -1.9437E+01 -1.3263E+01 H1 500 1.008000 0.423800 -1.6002E+01 -1.9043E+01 -1.3899E+01 H2 501 1.008000 0.423800 -1.4444E+01 -1.9017E+01 -1.3412E+01 O6 502 15.999400 -0.847600 1.8643E+01 4.2998E+00 4.6330E+00 H1 503 1.008000 0.423800 1.8228E+01 3.8046E+00 5.3963E+00 H2 504 1.008000 0.423800 -1.9478E+01 4.0894E+00 4.5908E+00 O6 505 15.999400 -0.847600 -5.7128E+00 -3.7530E-01 1.2075E+01 H1 506 1.008000 0.423800 -5.6081E+00 -6.1651E-01 1.1110E+01 H2 507 1.008000 0.423800 -5.2101E+00 4.6817E-01 1.2264E+01 O6 508 15.999400 -0.847600 1.6503E+01 5.1889E+00 7.3730E+00 H1 509 1.008000 0.423800 1.6088E+01 5.5029E+00 6.5193E+00 H2 510 1.008000 0.423800 1.6454E+01 4.1912E+00 7.4200E+00 O6 511 15.999400 -0.847600 1.9213E+00 -1.7945E+01 1.0564E+01 H1 512 1.008000 0.423800 2.0163E+00 -1.6991E+01 1.0282E+01 H2 513 1.008000 0.423800 1.1487E+00 -1.8360E+01 1.0083E+01 O6 514 15.999400 -0.847600 1.8350E+01 1.4153E+01 1.0841E+01 H1 515 1.008000 0.423800 1.9037E+01 1.4796E+01 1.0504E+01 H2 516 1.008000 0.423800 1.8804E+01 1.3334E+01 1.1191E+01 O6 517 15.999400 -0.847600 1.2717E+01 1.8169E+01 1.0900E+01 H1 518 1.008000 0.423800 1.2760E+01 1.8869E+01 1.0187E+01 H2 519 1.008000 0.423800 1.1966E+01 1.7539E+01 1.0703E+01 O6 520 15.999400 -0.847600 1.3863E+01 1.0827E+01 -6.9588E+00 H1 521 1.008000 0.423800 1.2874E+01 1.0835E+01 -6.8138E+00 H2 522 1.008000 0.423800 1.4104E+01 1.1508E+01 -7.6509E+00 O6 523 15.999400 -0.847600 -1.8587E+01 1.2998E+01 1.4665E+01 H1 524 1.008000 0.423800 -1.8570E+01 1.2000E+01 1.4602E+01 H2 525 1.008000 0.423800 -1.8369E+01 1.3276E+01 1.5601E+01 O6 526 15.999400 -0.847600 7.7338E+00 1.2615E-02 1.0868E+01 H1 527 1.008000 0.423800 7.0840E+00 -7.1332E-01 1.0643E+01 H2 528 1.008000 0.423800 7.5368E+00 3.6387E-01 1.1783E+01 O6 529 15.999400 -0.847600 -6.3978E+00 -1.7185E+01 4.7429E+00 H1 530 1.008000 0.423800 -5.5924E+00 -1.7026E+01 5.3139E+00 H2 531 1.008000 0.423800 -7.0791E+00 -1.7699E+01 5.2636E+00 O6 532 15.999400 -0.847600 8.3734E+00 6.5986E+00 -5.2648E+00 H1 533 1.008000 0.423800 9.1153E+00 7.2460E+00 -5.0906E+00 H2 534 1.008000 0.423800 7.9544E+00 6.3306E+00 -4.3974E+00 O6 535 15.999400 -0.847600 -8.5326E+00 1.1842E+01 -1.8160E+01 H1 536 1.008000 0.423800 -8.5527E+00 1.1998E+01 -1.7172E+01 H2 537 1.008000 0.423800 -7.6272E+00 1.2074E+01 -1.8515E+01 O6 538 15.999400 -0.847600 3.0272E+00 -8.8611E+00 7.2768E+00 H1 539 1.008000 0.423800 2.3218E+00 -9.5299E+00 7.0418E+00 H2 540 1.008000 0.423800 2.8713E+00 -8.5247E+00 8.2055E+00 O6 541 15.999400 -0.847600 1.0674E+01 8.5470E+00 5.5298E+00 H1 542 1.008000 0.423800 1.1276E+01 7.7655E+00 5.6933E+00 H2 543 1.008000 0.423800 1.0175E+01 8.4101E+00 4.6741E+00 O6 544 15.999400 -0.847600 -1.8096E+01 -1.1499E+01 1.0081E+01 H1 545 1.008000 0.423800 -1.7296E+01 -1.1386E+01 9.4906E+00 H2 546 1.008000 0.423800 -1.8219E+01 -1.0676E+01 1.0636E+01 O6 547 15.999400 -0.847600 1.7234E+01 1.3990E+01 -5.7235E+00 H1 548 1.008000 0.423800 1.7214E+01 1.2998E+01 -5.8505E+00 H2 549 1.008000 0.423800 1.6787E+01 1.4224E+01 -4.8602E+00 O6 550 15.999400 -0.847600 -9.2274E+00 -9.2229E+00 2.0762E+00 H1 551 1.008000 0.423800 -8.7117E+00 -9.9719E+00 2.4923E+00 H2 552 1.008000 0.423800 -1.0095E+01 -9.5720E+00 1.7225E+00 O6 553 15.999400 -0.847600 1.3327E+01 -1.0429E+01 3.6166E-01 H1 554 1.008000 0.423800 1.3864E+01 -1.0691E+01 -4.3995E-01 H2 555 1.008000 0.423800 1.3878E+01 -1.0550E+01 1.1869E+00 O6 556 15.999400 -0.847600 7.6684E+00 6.6110E+00 2.4375E+00 H1 557 1.008000 0.423800 6.7505E+00 6.9822E+00 2.2969E+00 H2 558 1.008000 0.423800 8.3336E+00 7.1711E+00 1.9438E+00 O6 559 15.999400 -0.847600 1.8095E+00 -1.1433E+01 -9.5507E-02 H1 560 1.008000 0.423800 1.1966E+00 -1.1439E+01 -8.8568E-01 H2 561 1.008000 0.423800 2.3460E+00 -1.2277E+01 -8.3620E-02 O6 562 15.999400 -0.847600 -1.0567E+01 6.4107E+00 9.4003E+00 H1 563 1.008000 0.423800 -9.8581E+00 7.1141E+00 9.3438E+00 H2 564 1.008000 0.423800 -1.1365E+01 6.6991E+00 8.8723E+00 O6 565 15.999400 -0.847600 -1.5808E+01 1.4066E+01 -1.1387E+01 H1 566 1.008000 0.423800 -1.5371E+01 1.4468E+01 -1.2192E+01 H2 567 1.008000 0.423800 -1.6612E+01 1.3544E+01 -1.1671E+01 O6 568 15.999400 -0.847600 4.7612E-01 -1.4456E+01 -3.6284E+00 H1 569 1.008000 0.423800 -1.4604E-01 -1.4017E+01 -4.2761E+00 H2 570 1.008000 0.423800 -2.2359E-02 -1.4690E+01 -2.7935E+00 O6 571 15.999400 -0.847600 -1.2122E+01 1.6213E+01 6.7238E-01 H1 572 1.008000 0.423800 -1.1989E+01 1.5244E+01 8.7935E-01 H2 573 1.008000 0.423800 -1.3081E+01 1.6456E+01 8.1915E-01 O6 574 15.999400 -0.847600 4.5318E+00 1.0101E+01 -3.4589E+00 H1 575 1.008000 0.423800 5.0771E+00 9.3895E+00 -3.9028E+00 H2 576 1.008000 0.423800 4.4223E+00 1.0875E+01 -4.0826E+00 O6 577 15.999400 -0.847600 1.2753E+01 1.1310E+01 1.1446E+01 H1 578 1.008000 0.423800 1.3553E+01 1.1757E+01 1.1846E+01 H2 579 1.008000 0.423800 1.2696E+01 1.1536E+01 1.0474E+01 O6 580 15.999400 -0.847600 -1.5765E+01 -6.0935E+00 3.6783E+00 H1 581 1.008000 0.423800 -1.5624E+01 -5.1494E+00 3.9765E+00 H2 582 1.008000 0.423800 -1.5875E+01 -6.6829E+00 4.4786E+00 O6 583 15.999400 -0.847600 1.8741E+01 -1.7082E+01 1.0357E+01 H1 584 1.008000 0.423800 1.9153E+01 -1.7481E+01 1.1176E+01 H2 585 1.008000 0.423800 1.8425E+01 -1.7813E+01 9.7523E+00 O6 586 15.999400 -0.847600 -9.9291E+00 -1.8771E+01 -7.7494E+00 H1 587 1.008000 0.423800 -9.1467E+00 -1.8646E+01 -8.3597E+00 H2 588 1.008000 0.423800 -1.0659E+01 -1.8140E+01 -8.0111E+00 O6 589 15.999400 -0.847600 -1.8029E+01 1.6907E+00 -1.1319E+01 H1 590 1.008000 0.423800 -1.7251E+01 1.5817E+00 -1.1937E+01 H2 591 1.008000 0.423800 -1.8307E+01 2.6513E+00 -1.1298E+01 O6 592 15.999400 -0.847600 -5.4210E+00 1.3488E+01 1.7779E+01 H1 593 1.008000 0.423800 -5.6035E+00 1.3030E+01 1.8649E+01 H2 594 1.008000 0.423800 -5.1823E+00 1.4444E+01 1.7949E+01 O6 595 15.999400 -0.847600 6.7448E+00 8.5237E-01 -1.2890E+01 H1 596 1.008000 0.423800 6.8415E+00 -4.4452E-02 -1.2458E+01 H2 597 1.008000 0.423800 7.4476E+00 9.6135E-01 -1.3593E+01 O6 598 15.999400 -0.847600 2.8600E+00 1.5824E+01 -2.6002E+00 H1 599 1.008000 0.423800 2.8174E+00 1.4895E+01 -2.9696E+00 H2 600 1.008000 0.423800 2.1743E+00 1.5928E+01 -1.8798E+00 O6 601 15.999400 -0.847600 -6.7576E+00 1.7064E+01 9.3487E-01 H1 602 1.008000 0.423800 -6.0376E+00 1.7052E+01 1.6289E+00 H2 603 1.008000 0.423800 -6.8818E+00 1.6142E+01 5.6789E-01 O6 604 15.999400 -0.847600 1.7720E+01 9.4039E+00 -1.2918E+01 H1 605 1.008000 0.423800 1.7631E+01 8.4112E+00 -1.2998E+01 H2 606 1.008000 0.423800 1.6926E+01 9.7724E+00 -1.2435E+01 O6 607 15.999400 -0.847600 8.9584E+00 1.9467E+01 8.0973E+00 H1 608 1.008000 0.423800 9.6755E+00 -1.9223E+01 7.5314E+00 H2 609 1.008000 0.423800 9.3170E+00 1.9291E+01 9.0141E+00 O6 610 15.999400 -0.847600 -1.3065E+01 -5.6459E+00 -9.6044E+00 H1 611 1.008000 0.423800 -1.2359E+01 -6.3442E+00 -9.7235E+00 H2 612 1.008000 0.423800 -1.2867E+01 -4.8669E+00 -1.0199E+01 O6 613 15.999400 -0.847600 5.8178E-01 1.5817E+01 -5.4521E+00 H1 614 1.008000 0.423800 3.6482E-01 1.6748E+01 -5.7448E+00 H2 615 1.008000 0.423800 1.2846E+00 1.5434E+01 -6.0517E+00 O6 616 15.999400 -0.847600 -1.4169E+00 -5.6905E+00 -1.1558E+01 H1 617 1.008000 0.423800 -1.2455E+00 -5.9812E+00 -1.2500E+01 H2 618 1.008000 0.423800 -1.7534E+00 -6.4671E+00 -1.1026E+01 O6 619 15.999400 -0.847600 -1.1714E+01 -1.0388E+01 1.3234E+00 H1 620 1.008000 0.423800 -1.2359E+01 -9.6246E+00 1.2977E+00 H2 621 1.008000 0.423800 -1.2212E+01 -1.1249E+01 1.2202E+00 O6 622 15.999400 -0.847600 1.2923E+01 2.1137E+00 -1.6566E+01 H1 623 1.008000 0.423800 1.2318E+01 2.0927E+00 -1.7362E+01 H2 624 1.008000 0.423800 1.3151E+01 1.1783E+00 -1.6296E+01 O6 625 15.999400 -0.847600 5.4542E+00 8.2051E+00 -9.0667E-01 H1 626 1.008000 0.423800 5.4603E+00 8.4052E+00 7.3104E-02 H2 627 1.008000 0.423800 4.5140E+00 8.2319E+00 -1.2464E+00 O6 628 15.999400 -0.847600 1.4507E+01 -1.9031E+01 -1.1397E+01 H1 629 1.008000 0.423800 1.4171E+01 1.9128E+01 -1.1320E+01 H2 630 1.008000 0.423800 1.5473E+01 -1.9043E+01 -1.1657E+01 O6 631 15.999400 -0.847600 6.2943E+00 -1.3395E+00 1.4655E+01 H1 632 1.008000 0.423800 5.3978E+00 -1.7747E+00 1.4571E+01 H2 633 1.008000 0.423800 6.2863E+00 -4.6387E-01 1.4173E+01 O6 634 15.999400 -0.847600 -1.8107E+01 -3.0131E+00 -1.3801E+01 H1 635 1.008000 0.423800 -1.9069E+01 -3.0407E+00 -1.4072E+01 H2 636 1.008000 0.423800 -1.7695E+01 -3.9130E+00 -1.3943E+01 O6 637 15.999400 -0.847600 1.3572E+01 1.7786E+01 -1.0518E+01 H1 638 1.008000 0.423800 1.3920E+01 1.6848E+01 -1.0521E+01 H2 639 1.008000 0.423800 1.3116E+01 1.7969E+01 -9.6474E+00 O6 640 15.999400 -0.847600 -1.4454E+01 5.6967E+00 1.8208E+01 H1 641 1.008000 0.423800 -1.5097E+01 4.9374E+00 1.8309E+01 H2 642 1.008000 0.423800 -1.4299E+01 5.8760E+00 1.7237E+01 O6 643 15.999400 -0.847600 -9.9427E+00 1.3576E+01 4.7719E+00 H1 644 1.008000 0.423800 -9.6462E+00 1.4281E+01 5.4158E+00 H2 645 1.008000 0.423800 -9.7195E+00 1.3861E+01 3.8397E+00 O6 646 15.999400 -0.847600 1.2960E+01 1.3807E+01 1.8810E+01 H1 647 1.008000 0.423800 1.2026E+01 1.3941E+01 1.9142E+01 H2 648 1.008000 0.423800 1.2934E+01 1.3403E+01 1.7895E+01 O6 649 15.999400 -0.847600 -2.6735E+00 1.5499E+00 -4.8178E+00 H1 650 1.008000 0.423800 -1.6970E+00 1.3781E+00 -4.9481E+00 H2 651 1.008000 0.423800 -3.1379E+00 6.8978E-01 -4.6069E+00 O6 652 15.999400 -0.847600 1.1938E+01 1.1233E+01 2.5360E+00 H1 653 1.008000 0.423800 1.1815E+01 1.2197E+01 2.7749E+00 H2 654 1.008000 0.423800 1.2050E+01 1.1147E+01 1.5461E+00 O6 655 15.999400 -0.847600 -1.6711E+01 1.2333E+01 1.1319E+01 H1 656 1.008000 0.423800 -1.6718E+01 1.1333E+01 1.1327E+01 H2 657 1.008000 0.423800 -1.6895E+01 1.2675E+01 1.2240E+01 O6 658 15.999400 -0.847600 1.0099E+01 3.4479E+00 1.3884E+01 H1 659 1.008000 0.423800 1.0153E+01 4.3931E+00 1.4206E+01 H2 660 1.008000 0.423800 9.5314E+00 2.9142E+00 1.4511E+01 O6 661 15.999400 -0.847600 5.2678E+00 1.4502E+01 -6.1881E+00 H1 662 1.008000 0.423800 5.9672E+00 1.4832E+01 -5.5541E+00 H2 663 1.008000 0.423800 5.5009E+00 1.4786E+01 -7.1183E+00 O6 664 15.999400 -0.847600 1.2367E+01 1.4789E+01 -2.3030E+00 H1 665 1.008000 0.423800 1.2889E+01 1.3940E+01 -2.3874E+00 H2 666 1.008000 0.423800 1.2947E+01 1.5499E+01 -1.9042E+00 O6 667 15.999400 -0.847600 1.1729E+01 -1.3303E+01 1.6129E+01 H1 668 1.008000 0.423800 1.0835E+01 -1.2887E+01 1.6293E+01 H2 669 1.008000 0.423800 1.2449E+01 -1.2640E+01 1.6336E+01 O6 670 15.999400 -0.847600 1.7261E+01 -1.7527E+01 -1.7145E+01 H1 671 1.008000 0.423800 1.6327E+01 -1.7821E+01 -1.7348E+01 H2 672 1.008000 0.423800 1.7388E+01 -1.6584E+01 -1.7451E+01 O6 673 15.999400 -0.847600 -2.9221E+00 1.2136E+01 1.7270E+01 H1 674 1.008000 0.423800 -2.0691E+00 1.2558E+01 1.7576E+01 H2 675 1.008000 0.423800 -3.6460E+00 1.2825E+01 1.7247E+01 O6 676 15.999400 -0.847600 1.8579E+01 1.9710E+00 -9.0389E+00 H1 677 1.008000 0.423800 1.7690E+01 1.5168E+00 -8.9748E+00 H2 678 1.008000 0.423800 1.8585E+01 2.5801E+00 -9.8319E+00 O6 679 15.999400 -0.847600 1.4310E+01 -3.1996E+00 1.5453E+00 H1 680 1.008000 0.423800 1.4521E+01 -3.8581E+00 2.2676E+00 H2 681 1.008000 0.423800 1.4358E+01 -3.6537E+00 6.5568E-01 O6 682 15.999400 -0.847600 -4.4740E+00 -1.1309E+01 1.1937E+01 H1 683 1.008000 0.423800 -4.0159E+00 -1.2197E+01 1.1982E+01 H2 684 1.008000 0.423800 -5.4026E+00 -1.1431E+01 1.1586E+01 O6 685 15.999400 -0.847600 -6.1994E+00 1.0088E+01 2.7868E+00 H1 686 1.008000 0.423800 -5.3580E+00 1.0189E+01 2.2558E+00 H2 687 1.008000 0.423800 -5.9776E+00 9.7501E+00 3.7015E+00 O6 688 15.999400 -0.847600 -5.2698E+00 1.8948E+01 -1.3316E+01 H1 689 1.008000 0.423800 -5.7756E+00 1.8279E+01 -1.2772E+01 H2 690 1.008000 0.423800 -5.3825E+00 1.8740E+01 -1.4288E+01 O6 691 15.999400 -0.847600 -5.5916E+00 1.9320E+00 1.9292E+01 H1 692 1.008000 0.423800 -6.1793E+00 1.2203E+00 -1.9421E+01 H2 693 1.008000 0.423800 -6.1265E+00 2.7648E+00 1.9149E+01 O6 694 15.999400 -0.847600 4.8599E+00 1.5030E+00 6.3476E+00 H1 695 1.008000 0.423800 5.1055E+00 2.1956E+00 5.6694E+00 H2 696 1.008000 0.423800 5.4860E+00 1.5612E+00 7.1252E+00 O6 697 15.999400 -0.847600 4.1938E+00 7.9537E+00 -1.6641E+01 H1 698 1.008000 0.423800 5.0384E+00 8.4022E+00 -1.6348E+01 H2 699 1.008000 0.423800 3.7951E+00 8.4599E+00 -1.7405E+01 O6 700 15.999400 -0.847600 1.5924E+01 -1.4818E+01 1.1333E+01 H1 701 1.008000 0.423800 1.6772E+01 -1.4713E+01 1.1853E+01 H2 702 1.008000 0.423800 1.6110E+01 -1.4676E+01 1.0361E+01 O6 703 15.999400 -0.847600 1.5369E+01 1.6636E+01 -1.3273E+01 H1 704 1.008000 0.423800 1.4601E+01 1.7222E+01 -1.3531E+01 H2 705 1.008000 0.423800 1.6070E+01 1.6672E+01 -1.3985E+01 O6 706 15.999400 -0.847600 -1.0044E+01 1.1873E+01 6.8581E+00 H1 707 1.008000 0.423800 -9.1454E+00 1.2303E+01 6.7681E+00 H2 708 1.008000 0.423800 -1.0127E+01 1.1461E+01 7.7658E+00 O6 709 15.999400 -0.847600 -1.7601E+01 1.8371E+01 1.1526E+01 H1 710 1.008000 0.423800 -1.8010E+01 1.8541E+01 1.2422E+01 H2 711 1.008000 0.423800 -1.7096E+01 1.9182E+01 1.1230E+01 O6 712 15.999400 -0.847600 -1.1644E+01 -7.0673E-02 -1.2840E+01 H1 713 1.008000 0.423800 -1.1926E+01 -7.6777E-01 -1.2181E+01 H2 714 1.008000 0.423800 -1.0998E+01 5.5665E-01 -1.2406E+01 O6 715 15.999400 -0.847600 -1.8720E+01 -1.9055E+01 8.6583E+00 H1 716 1.008000 0.423800 -1.8337E+01 1.9169E+01 8.3568E+00 H2 717 1.008000 0.423800 1.9440E+01 -1.8968E+01 8.3209E+00 O6 718 15.999400 -0.847600 -8.8770E+00 1.1907E+01 -1.3072E+00 H1 719 1.008000 0.423800 -9.0314E+00 1.1633E+01 -2.2564E+00 H2 720 1.008000 0.423800 -9.6301E+00 1.1576E+01 -7.3827E-01 O6 721 15.999400 -0.847600 -1.0410E+01 -1.6620E+01 -5.9354E+00 H1 722 1.008000 0.423800 -9.7555E+00 -1.7355E+01 -5.7576E+00 H2 723 1.008000 0.423800 -1.0050E+01 -1.6020E+01 -6.6497E+00 O6 724 15.999400 -0.847600 -1.0651E+01 -1.7732E+01 -2.5990E+00 H1 725 1.008000 0.423800 -1.1191E+01 -1.7195E+01 -3.2477E+00 H2 726 1.008000 0.423800 -1.0370E+01 -1.7149E+01 -1.8371E+00 O6 727 15.999400 -0.847600 -5.9642E+00 1.6426E+01 -1.6993E+01 H1 728 1.008000 0.423800 -6.0436E+00 1.6636E+01 -1.7968E+01 H2 729 1.008000 0.423800 -6.8437E+00 1.6095E+01 -1.6651E+01 O6 730 15.999400 -0.847600 -1.5149E+01 -1.5192E+01 9.2313E+00 H1 731 1.008000 0.423800 -1.5326E+01 -1.5249E+01 8.2487E+00 H2 732 1.008000 0.423800 -1.5890E+01 -1.4688E+01 9.6747E+00 O6 733 15.999400 -0.847600 -1.5219E+01 1.3855E+01 -1.8444E+01 H1 734 1.008000 0.423800 -1.5601E+01 1.3786E+01 -1.9365E+01 H2 735 1.008000 0.423800 -1.5963E+01 1.3912E+01 -1.7778E+01 O6 736 15.999400 -0.847600 1.0248E+01 -1.5514E+01 1.2152E+01 H1 737 1.008000 0.423800 1.0446E+01 -1.5356E+01 1.1185E+01 H2 738 1.008000 0.423800 1.0943E+01 -1.5064E+01 1.2712E+01 O6 739 15.999400 -0.847600 -1.1799E+01 -9.1192E+00 -1.7753E+01 H1 740 1.008000 0.423800 -1.2587E+01 -9.3879E+00 -1.7199E+01 H2 741 1.008000 0.423800 -1.1944E+01 -8.1983E+00 -1.8115E+01 O6 742 15.999400 -0.847600 -1.4957E+01 1.7328E+01 4.6533E+00 H1 743 1.008000 0.423800 -1.4905E+01 1.7986E+01 5.4049E+00 H2 744 1.008000 0.423800 -1.4092E+01 1.7326E+01 4.1515E+00 O6 745 15.999400 -0.847600 -6.6160E+00 -1.3723E+01 1.4020E+01 H1 746 1.008000 0.423800 -5.8195E+00 -1.3181E+01 1.4289E+01 H2 747 1.008000 0.423800 -6.3807E+00 -1.4694E+01 1.4040E+01 O6 748 15.999400 -0.847600 -2.9528E+00 -1.3712E+01 1.1982E+01 H1 749 1.008000 0.423800 -2.8516E+00 -1.4314E+01 1.2774E+01 H2 750 1.008000 0.423800 -3.0289E+00 -1.4264E+01 1.1151E+01 O6 751 15.999400 -0.847600 8.3940E+00 -5.8748E+00 -4.3230E+00 H1 752 1.008000 0.423800 7.9009E+00 -5.9861E+00 -5.1858E+00 H2 753 1.008000 0.423800 7.8949E+00 -5.2397E+00 -3.7334E+00 O6 754 15.999400 -0.847600 -1.8168E+00 -1.4070E+01 1.4153E+00 H1 755 1.008000 0.423800 -2.2407E+00 -1.4670E+01 2.0938E+00 H2 756 1.008000 0.423800 -1.3008E+00 -1.3352E+01 1.8818E+00 O6 757 15.999400 -0.847600 7.5994E+00 -6.0468E+00 1.6260E+01 H1 758 1.008000 0.423800 6.7303E+00 -5.9034E+00 1.6734E+01 H2 759 1.008000 0.423800 7.8526E+00 -5.2134E+00 1.5769E+01 O6 760 15.999400 -0.847600 2.3998E+00 -1.8935E+01 6.9997E+00 H1 761 1.008000 0.423800 1.9744E+00 -1.9211E+01 6.1379E+00 H2 762 1.008000 0.423800 2.9230E+00 1.9397E+01 7.3737E+00 O6 763 15.999400 -0.847600 -6.8814E+00 8.5137E+00 -3.3331E+00 H1 764 1.008000 0.423800 -7.6553E+00 7.9509E+00 -3.6236E+00 H2 765 1.008000 0.423800 -6.7896E+00 8.4663E+00 -2.3384E+00 O6 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5.5765E+00 -7.2493E+00 1.1613E+01 H2 783 1.008000 0.423800 5.4067E+00 -6.8705E+00 1.3193E+01 O6 784 15.999400 -0.847600 9.0134E+00 1.5311E+01 -7.0654E+00 H1 785 1.008000 0.423800 8.0252E+00 1.5438E+01 -6.9788E+00 H2 786 1.008000 0.423800 9.3477E+00 1.5828E+01 -7.8538E+00 O6 787 15.999400 -0.847600 2.6085E+00 4.8559E+00 -3.2860E+00 H1 788 1.008000 0.423800 2.3658E+00 5.1888E+00 -2.3748E+00 H2 789 1.008000 0.423800 1.8746E+00 5.0773E+00 -3.9282E+00 O6 790 15.999400 -0.847600 -1.2972E+00 1.1107E+01 -1.1950E+01 H1 791 1.008000 0.423800 -1.8428E+00 1.1749E+01 -1.1411E+01 H2 792 1.008000 0.423800 -4.1042E-01 1.1518E+01 -1.2161E+01 O6 793 15.999400 -0.847600 1.3141E+01 -9.2631E+00 -1.2523E+01 H1 794 1.008000 0.423800 1.3212E+01 -8.4255E+00 -1.3064E+01 H2 795 1.008000 0.423800 1.2322E+01 -9.2210E+00 -1.1950E+01 O6 796 15.999400 -0.847600 2.5091E+00 1.8505E+01 1.0309E+01 H1 797 1.008000 0.423800 1.6079E+00 1.8095E+01 1.0450E+01 H2 798 1.008000 0.423800 2.4309E+00 1.9501E+01 1.0342E+01 O6 799 15.999400 -0.847600 1.4619E+01 -1.6100E+01 1.6183E+01 H1 800 1.008000 0.423800 1.3687E+01 -1.6444E+01 1.6069E+01 H2 801 1.008000 0.423800 1.5136E+01 -1.6254E+01 1.5341E+01 O6 802 15.999400 -0.847600 -1.6809E+01 -2.5983E+00 1.8807E+01 H1 803 1.008000 0.423800 -1.6602E+01 -3.4821E+00 1.9227E+01 H2 804 1.008000 0.423800 -1.7784E+01 -2.5548E+00 1.8586E+01 O6 805 15.999400 -0.847600 -1.8436E+01 -8.7864E+00 6.7983E+00 H1 806 1.008000 0.423800 -1.8401E+01 -8.7310E+00 7.7961E+00 H2 807 1.008000 0.423800 -1.8427E+01 -7.8637E+00 6.4128E+00 O6 808 15.999400 -0.847600 1.6613E+01 -2.8488E+00 -6.2820E+00 H1 809 1.008000 0.423800 1.7311E+01 -2.8564E+00 -6.9978E+00 H2 810 1.008000 0.423800 1.6963E+01 -2.3649E+00 -5.4800E+00 O6 811 15.999400 -0.847600 -6.9177E+00 1.2632E+01 -1.1364E+01 H1 812 1.008000 0.423800 -6.3433E+00 1.3310E+01 -1.0906E+01 H2 813 1.008000 0.423800 -6.8725E+00 1.2770E+01 -1.2353E+01 O6 814 15.999400 -0.847600 -6.5950E+00 -1.7249E+01 -4.4009E+00 H1 815 1.008000 0.423800 -5.7964E+00 -1.7847E+01 -4.4726E+00 H2 816 1.008000 0.423800 -7.4279E+00 -1.7791E+01 -4.5125E+00 O6 817 15.999400 -0.847600 -1.4555E+01 9.7516E+00 1.3272E+01 H1 818 1.008000 0.423800 -1.4643E+01 8.9894E+00 1.3914E+01 H2 819 1.008000 0.423800 -1.3959E+01 1.0452E+01 1.3667E+01 O6 820 15.999400 -0.847600 1.1911E+01 8.5602E+00 1.0862E+01 H1 821 1.008000 0.423800 1.1109E+01 8.5389E+00 1.1459E+01 H2 822 1.008000 0.423800 1.2390E+01 9.4303E+00 1.0978E+01 O6 823 15.999400 -0.847600 1.0032E+00 -1.8685E+01 -1.2081E+01 H1 824 1.008000 0.423800 6.6516E-01 1.9500E+01 -1.1852E+01 H2 825 1.008000 0.423800 1.9487E+00 -1.8750E+01 -1.2400E+01 O6 826 15.999400 -0.847600 -2.7852E+00 -5.1286E+00 2.2326E+00 H1 827 1.008000 0.423800 -1.9855E+00 -4.9884E+00 2.8165E+00 H2 828 1.008000 0.423800 -3.6030E+00 -4.7956E+00 2.7021E+00 O6 829 15.999400 -0.847600 -1.4087E+01 1.4849E+01 -1.3499E+01 H1 830 1.008000 0.423800 -1.3366E+01 1.5235E+01 -1.2925E+01 H2 831 1.008000 0.423800 -1.4559E+01 1.5586E+01 -1.3983E+01 O6 832 15.999400 -0.847600 4.1895E+00 -5.4224E+00 7.1849E-01 H1 833 1.008000 0.423800 4.1207E+00 -5.3908E+00 -2.7866E-01 H2 834 1.008000 0.423800 5.1266E+00 -5.2089E+00 9.9479E-01 O6 835 15.999400 -0.847600 -1.8657E+01 -3.2596E+00 1.4331E+01 H1 836 1.008000 0.423800 -1.8037E+01 -3.7187E+00 1.3695E+01 H2 837 1.008000 0.423800 -1.8677E+01 -3.7598E+00 1.5197E+01 O6 838 15.999400 -0.847600 1.1233E+00 1.1704E+01 1.2414E+01 H1 839 1.008000 0.423800 4.7610E-01 1.1186E+01 1.2974E+01 H2 840 1.008000 0.423800 9.5089E-01 1.2683E+01 1.2524E+01 O6 841 15.999400 -0.847600 -1.8976E+01 6.8291E+00 -1.6259E+01 H1 842 1.008000 0.423800 -1.8212E+01 6.1841E+00 -1.6280E+01 H2 843 1.008000 0.423800 -1.8792E+01 7.5411E+00 -1.5581E+01 O6 844 15.999400 -0.847600 4.2640E+00 1.8275E+01 8.2848E+00 H1 845 1.008000 0.423800 3.5531E+00 1.8068E+01 8.9568E+00 H2 846 1.008000 0.423800 5.1628E+00 1.8200E+01 8.7168E+00 O6 847 15.999400 -0.847600 7.4071E+00 -1.2419E+01 1.9402E+01 H1 848 1.008000 0.423800 7.2545E+00 -1.1675E+01 -1.9045E+01 H2 849 1.008000 0.423800 8.0086E+00 -1.3103E+01 -1.9284E+01 O6 850 15.999400 -0.847600 1.8702E+00 -1.7536E+01 -2.7872E+00 H1 851 1.008000 0.423800 1.4243E+00 -1.8357E+01 -3.1442E+00 H2 852 1.008000 0.423800 1.3969E+00 -1.7232E+01 -1.9603E+00 O6 853 15.999400 -0.847600 -1.8200E+01 2.2156E+00 1.2300E+01 H1 854 1.008000 0.423800 -1.8534E+01 2.9438E+00 1.2899E+01 H2 855 1.008000 0.423800 -1.8892E+01 1.4973E+00 1.2231E+01 O6 856 15.999400 -0.847600 2.7121E+00 -1.0181E+01 -1.0873E+01 H1 857 1.008000 0.423800 2.5737E+00 -1.1170E+01 -1.0813E+01 H2 858 1.008000 0.423800 2.4930E+00 -9.7595E+00 -9.9933E+00 O6 859 15.999400 -0.847600 1.2982E+01 4.0434E+00 -9.5696E+00 H1 860 1.008000 0.423800 1.3565E+01 4.5538E+00 -8.9381E+00 H2 861 1.008000 0.423800 1.2051E+01 4.0054E+00 -9.2062E+00 O6 862 15.999400 -0.847600 7.9836E+00 -6.7980E+00 -9.3291E+00 H1 863 1.008000 0.423800 7.2472E+00 -6.1218E+00 -9.3514E+00 H2 864 1.008000 0.423800 8.7009E+00 -6.5308E+00 -9.9726E+00 O6 865 15.999400 -0.847600 1.4666E+01 -1.5472E+01 1.8921E+01 H1 866 1.008000 0.423800 1.4260E+01 -1.6329E+01 1.9239E+01 H2 867 1.008000 0.423800 1.4726E+01 -1.5482E+01 1.7923E+01 O6 868 15.999400 -0.847600 1.8976E+01 1.8891E+00 1.9043E+00 H1 869 1.008000 0.423800 -1.9215E+01 1.5288E+00 2.1259E+00 H2 870 1.008000 0.423800 1.8614E+01 1.4109E+00 1.1043E+00 O6 871 15.999400 -0.847600 -1.1344E+01 2.0184E+00 -1.0305E+01 H1 872 1.008000 0.423800 -1.1589E+01 2.6038E+00 -9.5323E+00 H2 873 1.008000 0.423800 -1.0665E+01 1.3459E+00 -1.0012E+01 O6 874 15.999400 -0.847600 -8.3341E+00 1.5094E+01 -1.6386E+01 H1 875 1.008000 0.423800 -7.9859E+00 1.4220E+01 -1.6046E+01 H2 876 1.008000 0.423800 -9.3322E+00 1.5058E+01 -1.6436E+01 O6 877 15.999400 -0.847600 -1.5623E+01 5.1089E+00 -1.3839E+01 H1 878 1.008000 0.423800 -1.4832E+01 5.1513E+00 -1.3228E+01 H2 879 1.008000 0.423800 -1.5476E+01 5.7186E+00 -1.4618E+01 O6 880 15.999400 -0.847600 -1.2648E+01 -1.4346E+01 -1.1591E+01 H1 881 1.008000 0.423800 -1.3239E+01 -1.5139E+01 -1.1439E+01 H2 882 1.008000 0.423800 -1.2234E+01 -1.4067E+01 -1.0725E+01 O6 883 15.999400 -0.847600 -3.3862E+00 -4.5407E+00 1.4490E+01 H1 884 1.008000 0.423800 -4.0351E+00 -4.2934E+00 1.5209E+01 H2 885 1.008000 0.423800 -2.4934E+00 -4.7320E+00 1.4897E+01 O6 886 15.999400 -0.847600 -1.3229E+01 -1.2556E+01 7.7892E-01 H1 887 1.008000 0.423800 -1.3941E+01 -1.2967E+01 1.3478E+00 H2 888 1.008000 0.423800 -1.3641E+01 -1.2171E+01 -4.6536E-02 O6 889 15.999400 -0.847600 3.1323E+00 1.5220E+01 8.4256E+00 H1 890 1.008000 0.423800 3.5822E+00 1.4552E+01 7.8329E+00 H2 891 1.008000 0.423800 2.8134E+00 1.5992E+01 7.8757E+00 O6 892 15.999400 -0.847600 2.7848E+00 1.0283E+01 3.9685E+00 H1 893 1.008000 0.423800 2.7595E+00 9.3474E+00 3.6167E+00 H2 894 1.008000 0.423800 2.0084E+00 1.0430E+01 4.5814E+00 O6 895 15.999400 -0.847600 1.8947E+01 -1.4311E+01 4.0327E+00 H1 896 1.008000 0.423800 1.8126E+01 -1.3927E+01 3.6109E+00 H2 897 1.008000 0.423800 1.9314E+01 -1.3663E+01 4.7002E+00 O6 898 15.999400 -0.847600 -2.7314E+00 -1.5716E+01 1.0094E+01 H1 899 1.008000 0.423800 -2.3565E+00 -1.5693E+01 9.1671E+00 H2 900 1.008000 0.423800 -2.1536E+00 -1.6292E+01 1.0673E+01 O6 901 15.999400 -0.847600 -5.7474E+00 1.9139E+01 1.7368E+01 H1 902 1.008000 0.423800 -5.1913E+00 1.9536E+01 1.6637E+01 H2 903 1.008000 0.423800 -5.2935E+00 1.9282E+01 1.8247E+01 O6 904 15.999400 -0.847600 -6.6682E+00 -1.4220E+01 -1.5006E+01 H1 905 1.008000 0.423800 -6.3821E+00 -1.3696E+01 -1.4204E+01 H2 906 1.008000 0.423800 -6.6902E+00 -1.3621E+01 -1.5806E+01 O6 907 15.999400 -0.847600 6.1449E+00 8.8930E+00 -1.9497E+01 H1 908 1.008000 0.423800 5.1801E+00 8.8502E+00 -1.9237E+01 H2 909 1.008000 0.423800 6.2442E+00 8.6273E+00 1.8642E+01 O6 910 15.999400 -0.847600 -9.0967E+00 1.7809E+01 -4.9164E+00 H1 911 1.008000 0.423800 -8.5471E+00 1.7550E+01 -4.1223E+00 H2 912 1.008000 0.423800 -9.4766E+00 1.6988E+01 -5.3417E+00 O6 913 15.999400 -0.847600 -6.0383E+00 3.3239E+00 -9.9218E+00 H1 914 1.008000 0.423800 -5.9850E+00 4.3060E+00 -9.7410E+00 H2 915 1.008000 0.423800 -6.7189E+00 2.9103E+00 -9.3172E+00 O6 916 15.999400 -0.847600 7.3287E+00 1.8869E+01 -1.4753E+01 H1 917 1.008000 0.423800 6.8946E+00 1.8211E+01 -1.4137E+01 H2 918 1.008000 0.423800 7.9970E+00 1.9411E+01 -1.4244E+01 O6 919 15.999400 -0.847600 1.2577E+00 -7.7052E+00 -1.5446E+01 H1 920 1.008000 0.423800 2.2100E+00 -7.4071E+00 -1.5380E+01 H2 921 1.008000 0.423800 1.1299E+00 -8.5355E+00 -1.4903E+01 O6 922 15.999400 -0.847600 -7.1086E+00 -1.6347E+01 -1.1267E+01 H1 923 1.008000 0.423800 -6.8404E+00 -1.5468E+01 -1.0872E+01 H2 924 1.008000 0.423800 -8.0759E+00 -1.6318E+01 -1.1519E+01 O6 925 15.999400 -0.847600 -2.1431E+00 9.0077E+00 6.9265E+00 H1 926 1.008000 0.423800 -2.6797E+00 8.2281E+00 7.2494E+00 H2 927 1.008000 0.423800 -1.3528E+00 8.6774E+00 6.4104E+00 O6 928 15.999400 -0.847600 -3.4844E+00 -2.3055E-01 8.4956E+00 H1 929 1.008000 0.423800 -2.5743E+00 -3.4446E-01 8.8941E+00 H2 930 1.008000 0.423800 -4.1406E+00 -7.9463E-01 8.9967E+00 O6 931 15.999400 -0.847600 -1.7156E+01 1.2067E+01 3.8003E+00 H1 932 1.008000 0.423800 -1.7282E+01 1.1193E+01 3.3310E+00 H2 933 1.008000 0.423800 -1.6307E+01 1.2493E+01 3.4865E+00 O6 934 15.999400 -0.847600 5.8638E-01 1.2616E+01 7.3865E+00 H1 935 1.008000 0.423800 -2.1474E-01 1.3126E+01 7.6998E+00 H2 936 1.008000 0.423800 1.1577E+00 1.2377E+01 8.1719E+00 O6 937 15.999400 -0.847600 6.8879E+00 -1.7090E+01 -3.4525E+00 H1 938 1.008000 0.423800 6.5234E+00 -1.6207E+01 -3.7496E+00 H2 939 1.008000 0.423800 6.1613E+00 -1.7621E+01 -3.0165E+00 O6 940 15.999400 -0.847600 -2.2967E+00 1.4499E+01 1.4012E+01 H1 941 1.008000 0.423800 -2.9026E+00 1.4542E+01 1.4806E+01 H2 942 1.008000 0.423800 -2.4790E+00 1.3660E+01 1.3499E+01 O6 943 15.999400 -0.847600 -3.6606E+00 -1.2777E+01 8.2856E+00 H1 944 1.008000 0.423800 -4.3368E+00 -1.3513E+01 8.2534E+00 H2 945 1.008000 0.423800 -4.0068E+00 -1.1984E+01 7.7839E+00 O6 946 15.999400 -0.847600 -5.6461E+00 -5.3041E+00 -9.2366E+00 H1 947 1.008000 0.423800 -4.6731E+00 -5.1160E+00 -9.3703E+00 H2 948 1.008000 0.423800 -5.8173E+00 -5.5049E+00 -8.2720E+00 O6 949 15.999400 -0.847600 1.5913E+01 -5.7459E+00 1.1183E+00 H1 950 1.008000 0.423800 1.5645E+01 -5.7520E+00 2.0815E+00 H2 951 1.008000 0.423800 1.6311E+01 -6.6313E+00 8.7755E-01 O6 952 15.999400 -0.847600 1.0407E+01 1.2597E+01 -7.6779E+00 H1 953 1.008000 0.423800 1.0498E+01 1.2363E+01 -8.6459E+00 H2 954 1.008000 0.423800 9.8723E+00 1.3437E+01 -7.5868E+00 O6 955 15.999400 -0.847600 1.1125E+01 -6.1493E+00 -4.5977E+00 H1 956 1.008000 0.423800 1.0150E+01 -6.0428E+00 -4.4031E+00 H2 957 1.008000 0.423800 1.1635E+01 -5.4065E+00 -4.1634E+00 O6 958 15.999400 -0.847600 -9.8415E+00 -1.1118E+01 -3.1100E+00 H1 959 1.008000 0.423800 -1.0360E+01 -1.1967E+01 -3.0121E+00 H2 960 1.008000 0.423800 -1.0348E+01 -1.0484E+01 -3.6939E+00 O6 961 15.999400 -0.847600 1.3929E+01 -5.1165E+00 -5.3371E-01 H1 962 1.008000 0.423800 1.3260E+01 -5.8589E+00 -4.8554E-01 H2 963 1.008000 0.423800 1.4767E+01 -5.3914E+00 -6.2379E-02 O6 964 15.999400 -0.847600 1.2534E+01 2.9851E+00 1.0167E+01 H1 965 1.008000 0.423800 1.1694E+01 2.4734E+00 1.0345E+01 H2 966 1.008000 0.423800 1.2317E+01 3.8177E+00 9.6583E+00 O6 967 15.999400 -0.847600 -1.5897E+01 -2.4554E+00 1.1308E+01 H1 968 1.008000 0.423800 -1.5114E+01 -2.7343E+00 1.0752E+01 H2 969 1.008000 0.423800 -1.5714E+01 -1.5606E+00 1.1716E+01 O6 970 15.999400 -0.847600 1.3896E+01 3.3575E+00 3.3550E+00 H1 971 1.008000 0.423800 1.4486E+01 4.1627E+00 3.4179E+00 H2 972 1.008000 0.423800 1.4059E+01 2.7625E+00 4.1420E+00 O6 973 15.999400 -0.847600 5.7557E+00 -1.4063E+01 1.8198E+01 H1 974 1.008000 0.423800 6.3324E+00 -1.3312E+01 1.8519E+01 H2 975 1.008000 0.423800 6.2140E+00 -1.4537E+01 1.7446E+01 O6 976 15.999400 -0.847600 8.0112E+00 -1.0475E+01 -1.3082E+00 H1 977 1.008000 0.423800 8.5054E+00 -9.6385E+00 -1.5439E+00 H2 978 1.008000 0.423800 7.9415E+00 -1.1060E+01 -2.1164E+00 O6 979 15.999400 -0.847600 2.1436E+00 -8.7651E+00 1.5256E+01 H1 980 1.008000 0.423800 1.3720E+00 -8.2006E+00 1.4962E+01 H2 981 1.008000 0.423800 2.6022E+00 -9.1457E+00 1.4452E+01 O6 982 15.999400 -0.847600 -1.0834E+01 -5.0907E+00 1.7635E+01 H1 983 1.008000 0.423800 -1.0428E+01 -6.0041E+00 1.7602E+01 H2 984 1.008000 0.423800 -1.0695E+01 -4.6321E+00 1.6757E+01 O6 985 15.999400 -0.847600 -9.4158E-01 -1.2554E+01 7.5913E+00 H1 986 1.008000 0.423800 -1.2258E+00 -1.2605E+01 6.6340E+00 H2 987 1.008000 0.423800 -1.7288E+00 -1.2316E+01 8.1603E+00 O6 988 15.999400 -0.847600 4.1981E-01 1.0794E+01 5.4990E+00 H1 989 1.008000 0.423800 -2.2773E-01 1.1013E+01 4.7692E+00 H2 990 1.008000 0.423800 4.8929E-01 1.1569E+01 6.1272E+00 O6 991 15.999400 -0.847600 -1.1509E+01 -7.1738E+00 6.0458E-01 H1 992 1.008000 0.423800 -1.1385E+01 -6.9120E+00 1.5618E+00 H2 993 1.008000 0.423800 -1.1875E+01 -6.3974E+00 9.1283E-02 O6 994 15.999400 -0.847600 9.7234E+00 3.0996E+00 -1.7098E+00 H1 995 1.008000 0.423800 1.0006E+01 3.4434E+00 -8.1412E-01 H2 996 1.008000 0.423800 9.6883E+00 2.1005E+00 -1.6874E+00 O6 997 15.999400 -0.847600 1.6706E+01 -5.6114E+00 5.1421E+00 H1 998 1.008000 0.423800 1.7197E+01 -6.4401E+00 5.4102E+00 H2 999 1.008000 0.423800 1.7300E+01 -4.8167E+00 5.2672E+00 O6 1000 15.999400 -0.847600 4.3268E+00 -7.5460E+00 1.6628E+01 H1 1001 1.008000 0.423800 4.2533E+00 -7.7380E+00 1.7607E+01 H2 1002 1.008000 0.423800 3.6299E+00 -8.0651E+00 1.6133E+01 O6 1003 15.999400 -0.847600 -3.0655E+00 -1.8725E+01 2.1279E+00 H1 1004 1.008000 0.423800 -3.9992E+00 -1.8390E+01 2.0000E+00 H2 1005 1.008000 0.423800 -2.7482E+00 -1.8484E+01 3.0453E+00 O6 1006 15.999400 -0.847600 -2.5358E+00 -7.3574E+00 -1.4490E+01 H1 1007 1.008000 0.423800 -1.8922E+00 -7.7088E+00 -1.3810E+01 H2 1008 1.008000 0.423800 -3.1445E+00 -6.6910E+00 -1.4060E+01 O6 1009 15.999400 -0.847600 6.6718E+00 1.6633E+01 -1.8310E+01 H1 1010 1.008000 0.423800 6.8911E+00 1.7467E+01 -1.8816E+01 H2 1011 1.008000 0.423800 6.5601E+00 1.6851E+01 -1.7340E+01 O6 1012 15.999400 -0.847600 8.2950E+00 1.1675E+00 6.0262E+00 H1 1013 1.008000 0.423800 7.8563E+00 1.1293E+00 6.9240E+00 H2 1014 1.008000 0.423800 8.7307E+00 2.0595E+00 5.9058E+00 O6 1015 15.999400 -0.847600 -8.8892E+00 5.5544E+00 -6.3043E+00 H1 1016 1.008000 0.423800 -9.5574E+00 5.3687E+00 -5.5838E+00 H2 1017 1.008000 0.423800 -9.3647E+00 5.8626E+00 -7.1283E+00 O6 1018 15.999400 -0.847600 -1.5688E+01 -4.4385E+00 -2.5712E+00 H1 1019 1.008000 0.423800 -1.5315E+01 -3.6499E+00 -3.0603E+00 H2 1020 1.008000 0.423800 -1.5299E+01 -5.2789E+00 -2.9490E+00 O6 1021 15.999400 -0.847600 1.8006E+01 -1.4499E+01 1.6889E+01 H1 1022 1.008000 0.423800 1.8896E+01 -1.4047E+01 1.6944E+01 H2 1023 1.008000 0.423800 1.7418E+01 -1.4002E+01 1.6251E+01 O6 1024 15.999400 -0.847600 -1.1079E+01 3.9214E+00 -1.2083E+01 H1 1025 1.008000 0.423800 -1.1317E+01 3.1574E+00 -1.1483E+01 H2 1026 1.008000 0.423800 -1.1857E+01 4.5457E+00 -1.2153E+01 O6 1027 15.999400 -0.847600 1.3775E+01 -4.9509E-01 -1.5838E+01 H1 1028 1.008000 0.423800 1.3380E+01 -1.3524E+00 -1.6169E+01 H2 1029 1.008000 0.423800 1.3311E+01 -2.1783E-01 -1.4996E+01 O6 1030 15.999400 -0.847600 -8.0560E+00 -1.7995E+01 7.0532E+00 H1 1031 1.008000 0.423800 -8.5719E+00 -1.7170E+01 6.8256E+00 H2 1032 1.008000 0.423800 -8.2523E+00 -1.8261E+01 7.9970E+00 O6 1033 15.999400 -0.847600 -1.0738E+01 4.1230E+00 1.1171E+01 H1 1034 1.008000 0.423800 -1.0229E+01 3.2717E+00 1.1042E+01 H2 1035 1.008000 0.423800 -1.0249E+01 4.8737E+00 1.0726E+01 O6 1036 15.999400 -0.847600 8.6663E+00 6.0998E+00 -1.4151E+01 H1 1037 1.008000 0.423800 9.1245E+00 6.9784E+00 -1.4286E+01 H2 1038 1.008000 0.423800 8.0745E+00 5.9090E+00 -1.4934E+01 O6 1039 15.999400 -0.847600 -1.4537E+01 -1.2644E+01 -1.2377E+01 H1 1040 1.008000 0.423800 -1.5073E+01 -1.2412E+01 -1.1565E+01 H2 1041 1.008000 0.423800 -1.3845E+01 -1.3324E+01 -1.2135E+01 O6 1042 15.999400 -0.847600 -4.3404E-01 7.8160E+00 -5.4427E+00 H1 1043 1.008000 0.423800 -3.0261E-03 8.6238E+00 -5.0405E+00 H2 1044 1.008000 0.423800 -1.0222E+00 8.0952E+00 -6.2017E+00 O6 1045 15.999400 -0.847600 -2.3555E-01 4.4556E+00 -1.2923E+01 H1 1046 1.008000 0.423800 5.3668E-01 4.9580E+00 -1.2534E+01 H2 1047 1.008000 0.423800 -1.4856E-01 3.4850E+00 -1.2699E+01 O6 1048 15.999400 -0.847600 -1.2981E+01 -1.0750E+01 -8.8687E+00 H1 1049 1.008000 0.423800 -1.3058E+01 -1.0683E+01 -9.8636E+00 H2 1050 1.008000 0.423800 -1.3808E+01 -1.1172E+01 -8.4982E+00 O6 1051 15.999400 -0.847600 1.0027E+01 -1.7870E+00 -1.2617E+01 H1 1052 1.008000 0.423800 1.0927E+01 -1.6008E+00 -1.2222E+01 H2 1053 1.008000 0.423800 1.0081E+01 -2.5956E+00 -1.3203E+01 O6 1054 15.999400 -0.847600 -6.7825E+00 8.0369E+00 1.4174E+01 H1 1055 1.008000 0.423800 -5.8825E+00 8.2994E+00 1.3826E+01 H2 1056 1.008000 0.423800 -7.4383E+00 8.0158E+00 1.3419E+01 O6 1057 15.999400 -0.847600 6.9326E+00 -9.8388E+00 1.7855E+01 H1 1058 1.008000 0.423800 6.7609E+00 -9.8858E+00 1.6871E+01 H2 1059 1.008000 0.423800 6.9931E+00 -1.0765E+01 1.8227E+01 O6 1060 15.999400 -0.847600 -5.9717E+00 3.0503E+00 1.4490E+01 H1 1061 1.008000 0.423800 -6.7191E+00 3.6981E+00 1.4343E+01 H2 1062 1.008000 0.423800 -6.3135E+00 2.2557E+00 1.4992E+01 O6 1063 15.999400 -0.847600 -1.5205E+01 -9.9226E+00 -4.8626E+00 H1 1064 1.008000 0.423800 -1.5142E+01 -8.9931E+00 -5.2259E+00 H2 1065 1.008000 0.423800 -1.5751E+01 -1.0486E+01 -5.4825E+00 O6 1066 15.999400 -0.847600 -1.2205E+01 -1.7279E+01 -8.6856E+00 H1 1067 1.008000 0.423800 -1.2079E+01 -1.6321E+01 -8.4298E+00 H2 1068 1.008000 0.423800 -1.2963E+01 -1.7667E+01 -8.1619E+00 O6 1069 15.999400 -0.847600 -1.0638E+01 6.1193E+00 1.6034E+01 H1 1070 1.008000 0.423800 -1.0977E+01 6.1695E+00 1.5095E+01 H2 1071 1.008000 0.423800 -1.1409E+01 6.0205E+00 1.6662E+01 O6 1072 15.999400 -0.847600 1.9130E+01 6.8200E+00 -6.1105E+00 H1 1073 1.008000 0.423800 1.8479E+01 6.1572E+00 -6.4807E+00 H2 1074 1.008000 0.423800 -1.9239E+01 6.3364E+00 -5.6254E+00 O6 1075 15.999400 -0.847600 -9.7039E+00 7.5824E+00 -1.7870E+01 H1 1076 1.008000 0.423800 -9.3131E+00 6.6677E+00 -1.7972E+01 H2 1077 1.008000 0.423800 -9.9731E+00 7.9327E+00 -1.8767E+01 O6 1078 15.999400 -0.847600 -1.0924E+01 -1.0150E+01 -1.3372E+01 H1 1079 1.008000 0.423800 -1.0723E+01 -1.0808E+01 -1.4098E+01 H2 1080 1.008000 0.423800 -1.0929E+01 -9.2251E+00 -1.3751E+01 O6 1081 15.999400 -0.847600 -1.7956E+01 2.2814E+00 1.5925E+01 H1 1082 1.008000 0.423800 -1.8637E+01 1.9928E+00 1.6599E+01 H2 1083 1.008000 0.423800 -1.8022E+01 1.6999E+00 1.5115E+01 O6 1084 15.999400 -0.847600 1.7400E+01 -8.1719E+00 5.7580E+00 H1 1085 1.008000 0.423800 1.7071E+01 -8.4345E+00 6.6653E+00 H2 1086 1.008000 0.423800 1.7897E+01 -8.9372E+00 5.3490E+00 O6 1087 15.999400 -0.847600 -1.7909E+00 -1.5693E+01 -1.7815E+01 H1 1088 1.008000 0.423800 -1.2395E+00 -1.6057E+01 -1.8565E+01 H2 1089 1.008000 0.423800 -1.8706E+00 -1.4701E+01 -1.7911E+01 O6 1090 15.999400 -0.847600 -1.0488E+00 4.3869E-01 -1.0673E-02 H1 1091 1.008000 0.423800 -1.8082E+00 -7.5896E-02 3.8754E-01 H2 1092 1.008000 0.423800 -9.0384E-01 1.4198E-01 -9.5456E-01 O6 1093 15.999400 -0.847600 -7.4314E-04 1.7429E+01 1.5245E+01 H1 1094 1.008000 0.423800 -2.0527E-01 1.7066E+01 1.6154E+01 H2 1095 1.008000 0.423800 8.1502E-01 1.6978E+01 1.4882E+01 O6 1096 15.999400 -0.847600 1.9129E+00 -1.3356E+01 1.6120E+01 H1 1097 1.008000 0.423800 2.0158E+00 -1.3306E+01 1.5127E+01 H2 1098 1.008000 0.423800 1.4709E+00 -1.4218E+01 1.6367E+01 O6 1099 15.999400 -0.847600 1.5657E+01 1.8062E+00 1.0145E+00 H1 1100 1.008000 0.423800 1.5325E+01 2.4068E+00 1.7417E+00 H2 1101 1.008000 0.423800 1.5246E+01 9.0020E-01 1.1167E+00 O6 1102 15.999400 -0.847600 1.2844E+01 -1.0841E+01 -1.4995E+01 H1 1103 1.008000 0.423800 1.2800E+01 -1.0557E+01 -1.4037E+01 H2 1104 1.008000 0.423800 1.1917E+01 -1.0952E+01 -1.5353E+01 O6 1105 15.999400 -0.847600 8.4260E+00 2.1355E+00 -1.4994E+01 H1 1106 1.008000 0.423800 8.8701E+00 2.9371E+00 -1.4594E+01 H2 1107 1.008000 0.423800 7.7495E+00 2.4314E+00 -1.5668E+01 O6 1108 15.999400 -0.847600 -2.5884E+00 1.4556E+01 -1.1574E+01 H1 1109 1.008000 0.423800 -3.3961E+00 1.4828E+01 -1.2096E+01 H2 1110 1.008000 0.423800 -2.7827E+00 1.3710E+01 -1.1077E+01 O6 1111 15.999400 -0.847600 8.4047E+00 1.9050E+01 4.5090E+00 H1 1112 1.008000 0.423800 9.3478E+00 1.9074E+01 4.1775E+00 H2 1113 1.008000 0.423800 8.3715E+00 1.9398E+01 5.4458E+00 O6 1114 15.999400 -0.847600 -4.4512E+00 1.1689E+01 -3.4244E+00 H1 1115 1.008000 0.423800 -3.5809E+00 1.1345E+01 -3.0724E+00 H2 1116 1.008000 0.423800 -5.1540E+00 1.1603E+01 -2.7183E+00 O6 1117 15.999400 -0.847600 1.1364E+01 7.0917E+00 -1.7423E+01 H1 1118 1.008000 0.423800 1.1632E+01 6.1539E+00 -1.7202E+01 H2 1119 1.008000 0.423800 1.0392E+01 7.1145E+00 -1.7654E+01 O6 1120 15.999400 -0.847600 -1.3439E+01 1.5697E+01 -1.7639E+01 H1 1121 1.008000 0.423800 -1.3064E+01 1.6192E+01 -1.8423E+01 H2 1122 1.008000 0.423800 -1.4141E+01 1.5059E+01 -1.7953E+01 O6 1123 15.999400 -0.847600 -1.0162E+01 4.6900E+00 -1.8485E+01 H1 1124 1.008000 0.423800 -1.1079E+01 4.4458E+00 -1.8171E+01 H2 1125 1.008000 0.423800 -1.0056E+01 4.4219E+00 -1.9443E+01 O6 1126 15.999400 -0.847600 -1.8903E+01 3.8014E+00 -1.9424E+01 H1 1127 1.008000 0.423800 1.9374E+01 4.0411E+00 -1.8906E+01 H2 1128 1.008000 0.423800 -1.8351E+01 4.6221E+00 1.9525E+01 O6 1129 15.999400 -0.847600 -1.7264E+01 5.8226E+00 -4.9886E+00 H1 1130 1.008000 0.423800 -1.6547E+01 5.3441E+00 -4.4811E+00 H2 1131 1.008000 0.423800 -1.6929E+01 6.0509E+00 -5.9028E+00 O6 1132 15.999400 -0.847600 3.2565E+00 -1.8381E+01 3.4186E+00 H1 1133 1.008000 0.423800 3.0342E+00 -1.8748E+01 2.5153E+00 H2 1134 1.008000 0.423800 4.0213E+00 -1.8894E+01 3.8078E+00 O6 1135 15.999400 -0.847600 4.9587E+00 8.1626E+00 1.4907E+01 H1 1136 1.008000 0.423800 4.5054E+00 8.6657E+00 1.5642E+01 H2 1137 1.008000 0.423800 5.3868E+00 8.8092E+00 1.4275E+01 O6 1138 15.999400 -0.847600 1.6553E+01 1.8805E+01 -1.9355E+01 H1 1139 1.008000 0.423800 1.7223E+01 1.8626E+01 1.9022E+01 H2 1140 1.008000 0.423800 1.6191E+01 -1.9366E+01 -1.9459E+01 O6 1141 15.999400 -0.847600 1.8927E+01 -1.6996E+01 1.7666E+01 H1 1142 1.008000 0.423800 -1.9307E+01 -1.6867E+01 1.7179E+01 H2 1143 1.008000 0.423800 1.8631E+01 -1.6123E+01 1.8055E+01 O6 1144 15.999400 -0.847600 -5.3858E+00 -1.7269E+01 -1.7011E+00 H1 1145 1.008000 0.423800 -6.2302E+00 -1.7753E+01 -1.4711E+00 H2 1146 1.008000 0.423800 -5.5307E+00 -1.6718E+01 -2.5228E+00 O6 1147 15.999400 -0.847600 1.2486E+01 5.3958E+00 -1.1763E+01 H1 1148 1.008000 0.423800 1.2737E+01 4.8347E+00 -1.0975E+01 H2 1149 1.008000 0.423800 1.1544E+01 5.1920E+00 -1.2032E+01 O6 1150 15.999400 -0.847600 -2.1368E+00 -8.2236E+00 1.6193E+01 H1 1151 1.008000 0.423800 -2.3506E+00 -8.4154E+00 1.7151E+01 H2 1152 1.008000 0.423800 -1.4734E+00 -8.8932E+00 1.5859E+01 O6 1153 15.999400 -0.847600 -7.5959E+00 -1.4440E+01 4.3919E+00 H1 1154 1.008000 0.423800 -7.0993E+00 -1.5303E+01 4.2989E+00 H2 1155 1.008000 0.423800 -8.5621E+00 -1.4587E+01 4.1803E+00 O6 1156 15.999400 -0.847600 5.4459E+00 9.1574E+00 6.7151E+00 H1 1157 1.008000 0.423800 4.5048E+00 9.1198E+00 7.0512E+00 H2 1158 1.008000 0.423800 5.7774E+00 1.0100E+01 6.7573E+00 O6 1159 15.999400 -0.847600 3.5437E+00 1.7189E+01 -1.2713E+01 H1 1160 1.008000 0.423800 2.8693E+00 1.6822E+01 -1.2073E+01 H2 1161 1.008000 0.423800 4.3197E+00 1.6561E+01 -1.2776E+01 O6 1162 15.999400 -0.847600 -1.7590E+01 1.9338E+01 -6.5494E+00 H1 1163 1.008000 0.423800 -1.7622E+01 1.9100E+01 -5.5786E+00 H2 1164 1.008000 0.423800 -1.8353E+01 1.8899E+01 -7.0251E+00 O6 1165 15.999400 -0.847600 1.5003E+01 -9.3734E+00 -6.6455E+00 H1 1166 1.008000 0.423800 1.4205E+01 -9.9765E+00 -6.6367E+00 H2 1167 1.008000 0.423800 1.4828E+01 -8.5984E+00 -7.2528E+00 O6 1168 15.999400 -0.847600 -1.4547E+00 -1.8540E+01 1.7071E+01 H1 1169 1.008000 0.423800 -1.2406E+00 -1.8164E+01 1.7973E+01 H2 1170 1.008000 0.423800 -6.3492E-01 -1.8521E+01 1.6499E+01 O6 1171 15.999400 -0.847600 -1.8834E+01 1.6210E+01 1.0617E+01 H1 1172 1.008000 0.423800 -1.8373E+01 1.7056E+01 1.0884E+01 H2 1173 1.008000 0.423800 -1.8208E+01 1.5643E+01 1.0082E+01 O6 1174 15.999400 -0.847600 1.4033E+01 -1.6614E+00 1.1715E+01 H1 1175 1.008000 0.423800 1.3280E+01 -1.4653E+00 1.1087E+01 H2 1176 1.008000 0.423800 1.4157E+01 -8.8890E-01 1.2338E+01 O6 1177 15.999400 -0.847600 1.2048E+01 -1.6743E+00 9.8537E+00 H1 1178 1.008000 0.423800 1.1411E+01 -2.3430E+00 1.0238E+01 H2 1179 1.008000 0.423800 1.1535E+01 -9.6416E-01 9.3719E+00 O6 1180 15.999400 -0.847600 3.8877E+00 -2.0378E+00 -6.4107E+00 H1 1181 1.008000 0.423800 3.7082E+00 -1.1370E+00 -6.8060E+00 H2 1182 1.008000 0.423800 3.3667E+00 -2.1397E+00 -5.5632E+00 O6 1183 15.999400 -0.847600 -7.2615E+00 -3.1767E+00 5.0246E+00 H1 1184 1.008000 0.423800 -6.5516E+00 -3.8470E+00 4.8083E+00 H2 1185 1.008000 0.423800 -6.8479E+00 -2.2708E+00 5.1154E+00 O6 1186 15.999400 -0.847600 2.5405E+00 -2.6942E+00 -4.2768E+00 H1 1187 1.008000 0.423800 1.7335E+00 -3.2395E+00 -4.5035E+00 H2 1188 1.008000 0.423800 2.2773E+00 -1.9473E+00 -3.6662E+00 O6 1189 15.999400 -0.847600 9.2766E+00 -9.2002E+00 -8.1270E+00 H1 1190 1.008000 0.423800 9.4273E+00 -9.9022E+00 -8.8231E+00 H2 1191 1.008000 0.423800 8.7375E+00 -8.4540E+00 -8.5175E+00 O6 1192 15.999400 -0.847600 -2.8565E+00 8.8928E+00 -1.8270E+00 H1 1193 1.008000 0.423800 -3.3159E+00 9.2601E+00 -1.0182E+00 H2 1194 1.008000 0.423800 -3.0074E+00 7.9055E+00 -1.8763E+00 O6 1195 15.999400 -0.847600 -1.2886E+01 9.3995E-01 -1.5153E+01 H1 1196 1.008000 0.423800 -1.3029E+01 1.9260E+00 -1.5068E+01 H2 1197 1.008000 0.423800 -1.2541E+01 5.7742E-01 -1.4287E+01 O6 1198 15.999400 -0.847600 5.1618E+00 -1.0683E+01 -8.5510E+00 H1 1199 1.008000 0.423800 4.2561E+00 -1.1016E+01 -8.2881E+00 H2 1200 1.008000 0.423800 5.7046E+00 -1.1443E+01 -8.9095E+00 O6 1201 15.999400 -0.847600 1.8375E+01 1.3877E+01 -2.6322E+00 H1 1202 1.008000 0.423800 1.8089E+01 1.2933E+01 -2.7967E+00 H2 1203 1.008000 0.423800 1.7567E+01 1.4463E+01 -2.5673E+00 O6 1204 15.999400 -0.847600 -8.4479E+00 6.0805E+00 3.0114E+00 H1 1205 1.008000 0.423800 -8.7758E+00 5.2424E+00 2.5755E+00 H2 1206 1.008000 0.423800 -9.1058E+00 6.8171E+00 2.8545E+00 O6 1207 15.999400 -0.847600 -1.3933E+01 -3.5123E+00 1.4287E+00 H1 1208 1.008000 0.423800 -1.4787E+01 -3.6054E+00 9.1615E-01 H2 1209 1.008000 0.423800 -1.4077E+01 -3.8095E+00 2.3726E+00 O6 1210 15.999400 -0.847600 -8.7326E+00 8.6106E+00 9.3412E+00 H1 1211 1.008000 0.423800 -8.0882E+00 8.8814E+00 8.6260E+00 H2 1212 1.008000 0.423800 -9.4205E+00 9.3269E+00 9.4585E+00 O6 1213 15.999400 -0.847600 1.8328E+01 4.6200E+00 -1.7736E+01 H1 1214 1.008000 0.423800 1.8211E+01 5.5171E+00 -1.8162E+01 H2 1215 1.008000 0.423800 1.8345E+01 4.7230E+00 -1.6741E+01 O6 1216 15.999400 -0.847600 1.3786E+01 1.2730E+01 -2.9630E+00 H1 1217 1.008000 0.423800 1.4444E+01 1.2119E+01 -2.5227E+00 H2 1218 1.008000 0.423800 1.3553E+01 1.2373E+01 -3.8671E+00 O6 1219 15.999400 -0.847600 1.5276E+01 1.7044E+01 -1.6085E+01 H1 1220 1.008000 0.423800 1.6190E+01 1.7451E+01 -1.6083E+01 H2 1221 1.008000 0.423800 1.4942E+01 1.6978E+01 -1.7025E+01 O6 1222 15.999400 -0.847600 4.3048E+00 2.3969E+00 -4.6034E-01 H1 1223 1.008000 0.423800 4.5966E+00 2.9784E+00 -1.2198E+00 H2 1224 1.008000 0.423800 4.3893E+00 2.9027E+00 3.9818E-01 O6 1225 15.999400 -0.847600 -1.0899E+01 1.0626E+01 1.3693E+01 H1 1226 1.008000 0.423800 -1.1466E+01 1.1359E+01 1.4068E+01 H2 1227 1.008000 0.423800 -1.0224E+01 1.1014E+01 1.3066E+01 O6 1228 15.999400 -0.847600 1.3701E+00 -9.6457E+00 -1.3369E+01 H1 1229 1.008000 0.423800 1.2056E+00 -1.0534E+01 -1.3798E+01 H2 1230 1.008000 0.423800 1.7614E+00 -9.7830E+00 -1.2459E+01 O6 1231 15.999400 -0.847600 1.9727E+00 -1.5242E+01 -5.9108E+00 H1 1232 1.008000 0.423800 1.5180E+00 -1.5185E+01 -5.0220E+00 H2 1233 1.008000 0.423800 2.4759E+00 -1.6104E+01 -5.9726E+00 O6 1234 15.999400 -0.847600 -8.8169E-01 1.6457E+01 -1.0690E+01 H1 1235 1.008000 0.423800 -1.0862E+00 1.7338E+01 -1.1118E+01 H2 1236 1.008000 0.423800 -1.5613E+00 1.5782E+01 -1.0977E+01 O6 1237 15.999400 -0.847600 -1.1650E+01 1.5424E+01 1.8830E+01 H1 1238 1.008000 0.423800 -1.1966E+01 1.5818E+01 1.7967E+01 H2 1239 1.008000 0.423800 -1.1918E+01 1.4462E+01 1.8875E+01 O6 1240 15.999400 -0.847600 -1.3465E+01 -7.9828E+00 3.3668E+00 H1 1241 1.008000 0.423800 -1.4165E+01 -7.3131E+00 3.6144E+00 H2 1242 1.008000 0.423800 -1.3543E+01 -8.2024E+00 2.3944E+00 O6 1243 15.999400 -0.847600 1.5959E+01 1.4729E+01 2.3505E-01 H1 1244 1.008000 0.423800 1.6614E+01 1.3983E+01 1.0960E-01 H2 1245 1.008000 0.423800 1.5036E+01 1.4353E+01 3.0877E-01 O6 1246 15.999400 -0.847600 9.2507E+00 9.7171E+00 1.5516E+01 H1 1247 1.008000 0.423800 8.6503E+00 9.7565E+00 1.4717E+01 H2 1248 1.008000 0.423800 8.7552E+00 1.0042E+01 1.6322E+01 O6 1249 15.999400 -0.847600 -1.2006E-01 -6.4443E+00 9.0059E+00 H1 1250 1.008000 0.423800 -2.5797E-01 -7.0095E+00 9.8193E+00 H2 1251 1.008000 0.423800 -2.2852E-01 -7.0073E+00 8.1866E+00 O6 1252 15.999400 -0.847600 -7.8761E+00 -1.8187E+01 -1.5730E+01 H1 1253 1.008000 0.423800 -7.1061E+00 -1.7557E+01 -1.5624E+01 H2 1254 1.008000 0.423800 -8.1245E+00 -1.8250E+01 -1.6696E+01 O6 1255 15.999400 -0.847600 -8.3895E+00 1.1054E+00 -5.5475E-01 H1 1256 1.008000 0.423800 -9.1113E+00 1.7631E+00 -3.3962E-01 H2 1257 1.008000 0.423800 -8.1937E+00 1.1342E+00 -1.5350E+00 O6 1258 15.999400 -0.847600 -1.8840E+00 -8.5860E+00 2.8677E+00 H1 1259 1.008000 0.423800 -2.3718E+00 -9.1515E+00 2.2026E+00 H2 1260 1.008000 0.423800 -1.4914E+00 -7.7912E+00 2.4050E+00 O6 1261 15.999400 -0.847600 -1.4347E+01 1.1835E+01 -1.6587E+01 H1 1262 1.008000 0.423800 -1.4517E+01 1.0947E+01 -1.7013E+01 H2 1263 1.008000 0.423800 -1.4594E+01 1.2564E+01 -1.7226E+01 O6 1264 15.999400 -0.847600 1.4730E+01 5.0118E+00 -7.5331E+00 H1 1265 1.008000 0.423800 1.5684E+01 4.7901E+00 -7.3278E+00 H2 1266 1.008000 0.423800 1.4297E+01 5.4027E+00 -6.7211E+00 O6 1267 15.999400 -0.847600 -1.4810E+01 1.4751E+01 1.3748E+01 H1 1268 1.008000 0.423800 -1.5053E+01 1.5155E+01 1.4630E+01 H2 1269 1.008000 0.423800 -1.5626E+01 1.4694E+01 1.3172E+01 O6 1270 15.999400 -0.847600 -1.0318E+01 1.8594E+01 -1.8898E+01 H1 1271 1.008000 0.423800 -9.7910E+00 1.8822E+01 1.9381E+01 H2 1272 1.008000 0.423800 -1.0222E+01 1.7618E+01 -1.8701E+01 O6 1273 15.999400 -0.847600 -1.2888E+01 8.7825E+00 1.8047E+01 H1 1274 1.008000 0.423800 -1.2660E+01 8.7216E+00 1.7075E+01 H2 1275 1.008000 0.423800 -1.3741E+01 9.2925E+00 1.8158E+01 O6 1276 15.999400 -0.847600 1.4448E+01 3.5699E+00 -1.9201E+01 H1 1277 1.008000 0.423800 1.3686E+01 2.9320E+00 -1.9086E+01 H2 1278 1.008000 0.423800 1.5136E+01 3.3973E+00 -1.8496E+01 O6 1279 15.999400 -0.847600 -1.3309E+01 1.7006E+01 -6.6483E+00 H1 1280 1.008000 0.423800 -1.3976E+01 1.6774E+01 -5.9406E+00 H2 1281 1.008000 0.423800 -1.2743E+01 1.7769E+01 -6.3354E+00 O6 1282 15.999400 -0.847600 -1.5115E+01 -1.2005E+01 -1.5061E+01 H1 1283 1.008000 0.423800 -1.4998E+01 -1.2123E+01 -1.4075E+01 H2 1284 1.008000 0.423800 -1.4570E+01 -1.2689E+01 -1.5546E+01 O6 1285 15.999400 -0.847600 -1.1427E+01 -6.2288E+00 -6.2835E+00 H1 1286 1.008000 0.423800 -1.1558E+01 -7.0823E+00 -6.7879E+00 H2 1287 1.008000 0.423800 -1.1905E+01 -5.4870E+00 -6.7540E+00 O6 1288 15.999400 -0.847600 -1.4283E+01 -2.1910E+00 -3.2184E+00 H1 1289 1.008000 0.423800 -1.3634E+01 -2.6679E+00 -3.8105E+00 H2 1290 1.008000 0.423800 -1.3783E+01 -1.6590E+00 -2.5353E+00 O6 1291 15.999400 -0.847600 1.6777E+00 1.6839E+01 -1.0993E+01 H1 1292 1.008000 0.423800 7.4933E-01 1.6555E+01 -1.0754E+01 H2 1293 1.008000 0.423800 2.0386E+00 1.7436E+01 -1.0276E+01 O6 1294 15.999400 -0.847600 3.6440E+00 1.8106E+01 1.8851E+01 H1 1295 1.008000 0.423800 3.5568E+00 1.8160E+01 -1.9251E+01 H2 1296 1.008000 0.423800 4.5114E+00 1.7667E+01 1.8616E+01 O6 1297 15.999400 -0.847600 -2.9524E+00 1.8468E+01 1.0220E+01 H1 1298 1.008000 0.423800 -2.0378E+00 1.8096E+01 1.0062E+01 H2 1299 1.008000 0.423800 -2.8766E+00 1.9405E+01 1.0563E+01 O6 1300 15.999400 -0.847600 -8.8203E-01 -1.0324E+01 -8.4438E+00 H1 1301 1.008000 0.423800 -1.7419E+00 -1.0137E+01 -8.9187E+00 H2 1302 1.008000 0.423800 -1.0723E+00 -1.0561E+01 -7.4909E+00 O6 1303 15.999400 -0.847600 2.9507E-01 -4.1660E+00 6.0224E+00 H1 1304 1.008000 0.423800 1.3838E-01 -4.2303E+00 5.0368E+00 H2 1305 1.008000 0.423800 3.3541E-01 -5.0852E+00 6.4141E+00 O6 1306 15.999400 -0.847600 -1.8125E+01 -5.7107E+00 -1.9411E+01 H1 1307 1.008000 0.423800 -1.8990E+01 -5.2545E+00 1.9476E+01 H2 1308 1.008000 0.423800 -1.8293E+01 -6.4655E+00 -1.8777E+01 O6 1309 15.999400 -0.847600 6.3637E+00 1.4042E+01 -1.9429E+01 H1 1310 1.008000 0.423800 7.1269E+00 1.3566E+01 1.9232E+01 H2 1311 1.008000 0.423800 6.4010E+00 1.5014E+01 1.9437E+01 O6 1312 15.999400 -0.847600 -3.2796E-01 -1.0217E+01 1.5489E+01 H1 1313 1.008000 0.423800 3.5991E-01 -1.0512E+01 1.4826E+01 H2 1314 1.008000 0.423800 1.0701E-01 -1.0070E+01 1.6378E+01 O6 1315 15.999400 -0.847600 1.2517E+01 -1.9116E+00 1.7503E+01 H1 1316 1.008000 0.423800 1.3236E+01 -2.3895E+00 1.8008E+01 H2 1317 1.008000 0.423800 1.1732E+01 -1.7601E+00 1.8103E+01 O6 1318 15.999400 -0.847600 -9.7135E+00 1.5024E+01 7.7835E+00 H1 1319 1.008000 0.423800 -9.5569E+00 1.4848E+01 8.7554E+00 H2 1320 1.008000 0.423800 -1.0692E+01 1.5151E+01 7.6214E+00 O6 1321 15.999400 -0.847600 -2.9523E+00 -6.4900E+00 1.8857E+01 H1 1322 1.008000 0.423800 -3.3698E+00 -6.9502E+00 -1.9457E+01 H2 1323 1.008000 0.423800 -2.1888E+00 -5.9252E+00 1.9170E+01 O6 1324 15.999400 -0.847600 -2.2879E+00 1.4917E+01 -2.2811E+00 H1 1325 1.008000 0.423800 -1.8236E+00 1.5756E+01 -1.9965E+00 H2 1326 1.008000 0.423800 -3.2614E+00 1.5104E+01 -2.4133E+00 O6 1327 15.999400 -0.847600 -8.4327E+00 -1.1108E+01 1.8138E+01 H1 1328 1.008000 0.423800 -8.3087E+00 -1.1564E+01 1.7257E+01 H2 1329 1.008000 0.423800 -9.3352E+00 -1.0678E+01 1.8167E+01 O6 1330 15.999400 -0.847600 1.4873E+01 -1.2177E+01 1.0509E+01 H1 1331 1.008000 0.423800 1.5142E+01 -1.3032E+01 1.0951E+01 H2 1332 1.008000 0.423800 1.4761E+01 -1.1464E+01 1.1201E+01 O6 1333 15.999400 -0.847600 -1.6628E+00 -1.5506E+01 -1.0216E+01 H1 1334 1.008000 0.423800 -2.2068E+00 -1.4667E+01 -1.0238E+01 H2 1335 1.008000 0.423800 -1.1184E+00 -1.5572E+01 -1.1052E+01 O6 1336 15.999400 -0.847600 -1.2332E+01 -1.4565E+01 -8.3023E+00 H1 1337 1.008000 0.423800 -1.1541E+01 -1.4053E+01 -7.9668E+00 H2 1338 1.008000 0.423800 -1.3075E+01 -1.4503E+01 -7.6368E+00 O6 1339 15.999400 -0.847600 -1.8341E+01 6.4600E+00 7.4739E+00 H1 1340 1.008000 0.423800 -1.9115E+01 6.2269E+00 8.0627E+00 H2 1341 1.008000 0.423800 -1.8651E+01 6.5247E+00 6.5255E+00 O6 1342 15.999400 -0.847600 -5.8707E+00 1.3225E+01 -1.4073E+01 H1 1343 1.008000 0.423800 -5.6330E+00 1.4054E+01 -1.3566E+01 H2 1344 1.008000 0.423800 -5.0698E+00 1.2630E+01 -1.4132E+01 O6 1345 15.999400 -0.847600 -1.8946E+01 -1.6707E+01 4.4290E+00 H1 1346 1.008000 0.423800 -1.9386E+01 -1.5838E+01 4.2004E+00 H2 1347 1.008000 0.423800 -1.9439E+01 -1.7142E+01 5.1824E+00 O6 1348 15.999400 -0.847600 1.5761E+01 -1.3608E+01 -1.7220E+01 H1 1349 1.008000 0.423800 1.4836E+01 -1.3345E+01 -1.6946E+01 H2 1350 1.008000 0.423800 1.5919E+01 -1.3331E+01 -1.8167E+01 O6 1351 15.999400 -0.847600 9.9460E+00 8.9178E+00 -1.5545E+01 H1 1352 1.008000 0.423800 1.0736E+01 8.5087E+00 -1.6001E+01 H2 1353 1.008000 0.423800 9.2804E+00 9.2120E+00 -1.6231E+01 O6 1354 15.999400 -0.847600 -1.9863E+00 7.6861E-03 6.0858E+00 H1 1355 1.008000 0.423800 -2.5476E+00 1.0180E-01 6.9081E+00 H2 1356 1.008000 0.423800 -1.2052E+00 -5.8513E-01 6.2816E+00 O6 1357 15.999400 -0.847600 8.2189E+00 2.7961E+00 1.8459E+01 H1 1358 1.008000 0.423800 7.9472E+00 3.7575E+00 1.8415E+01 H2 1359 1.008000 0.423800 7.4162E+00 2.2162E+00 1.8320E+01 O6 1360 15.999400 -0.847600 -1.4471E+01 5.1454E+00 -9.6503E+00 H1 1361 1.008000 0.423800 -1.3642E+01 5.0371E+00 -9.1028E+00 H2 1362 1.008000 0.423800 -1.5135E+01 4.4437E+00 -9.3915E+00 O6 1363 15.999400 -0.847600 -6.0140E+00 -3.4962E+00 2.2805E+00 H1 1364 1.008000 0.423800 -5.7159E+00 -3.8385E+00 3.1716E+00 H2 1365 1.008000 0.423800 -6.2434E+00 -2.5258E+00 2.3560E+00 O6 1366 15.999400 -0.847600 2.2934E+00 1.6049E+01 1.4299E+01 H1 1367 1.008000 0.423800 2.8867E+00 1.6435E+01 1.3593E+01 H2 1368 1.008000 0.423800 2.8397E+00 1.5821E+01 1.5105E+01 O6 1369 15.999400 -0.847600 -6.2696E+00 -3.2225E+00 -3.9342E+00 H1 1370 1.008000 0.423800 -6.1472E+00 -2.8601E+00 -4.8582E+00 H2 1371 1.008000 0.423800 -6.0275E+00 -2.5193E+00 -3.2656E+00 O6 1372 15.999400 -0.847600 4.8962E+00 -1.3391E+01 -9.6733E-01 H1 1373 1.008000 0.423800 5.6524E+00 -1.3950E+01 -6.2677E-01 H2 1374 1.008000 0.423800 4.0636E+00 -1.3944E+01 -1.0038E+00 O6 1375 15.999400 -0.847600 -1.7559E+01 1.4659E+01 1.2784E+01 H1 1376 1.008000 0.423800 -1.8233E+01 1.5052E+01 1.2158E+01 H2 1377 1.008000 0.423800 -1.8026E+01 1.4100E+01 1.3468E+01 O6 1378 15.999400 -0.847600 1.3827E+01 -3.0519E+00 -1.9127E+01 H1 1379 1.008000 0.423800 1.4102E+01 -3.9900E+00 -1.9338E+01 H2 1380 1.008000 0.423800 1.3647E+01 -2.9691E+00 -1.8147E+01 O6 1381 15.999400 -0.847600 -1.9082E+01 2.7146E+00 -4.7901E+00 H1 1382 1.008000 0.423800 -1.9303E+01 2.8747E+00 -3.8279E+00 H2 1383 1.008000 0.423800 -1.8452E+01 3.4223E+00 -5.1100E+00 O6 1384 15.999400 -0.847600 1.9433E+01 1.1404E+01 8.6684E+00 H1 1385 1.008000 0.423800 -1.8833E+01 1.0861E+01 8.5460E+00 H2 1386 1.008000 0.423800 1.9473E+01 1.2211E+01 8.0796E+00 O6 1387 15.999400 -0.847600 -1.7649E+01 -1.2656E+01 -1.6171E+01 H1 1388 1.008000 0.423800 -1.8277E+01 -1.3091E+01 -1.5526E+01 H2 1389 1.008000 0.423800 -1.6808E+01 -1.2399E+01 -1.5695E+01 O6 1390 15.999400 -0.847600 -8.8540E+00 -1.8660E+01 -4.4542E+00 H1 1391 1.008000 0.423800 -9.5809E+00 -1.8403E+01 -3.8172E+00 H2 1392 1.008000 0.423800 -8.9033E+00 1.9456E+01 -4.6380E+00 O6 1393 15.999400 -0.847600 1.2878E+01 7.8424E+00 -1.0481E+01 H1 1394 1.008000 0.423800 1.2377E+01 7.8871E+00 -9.6161E+00 H2 1395 1.008000 0.423800 1.2586E+01 7.0355E+00 -1.0994E+01 O6 1396 15.999400 -0.847600 -7.7360E+00 -1.9497E+01 1.5582E+00 H1 1397 1.008000 0.423800 -7.7565E+00 -1.9441E+01 2.5564E+00 H2 1398 1.008000 0.423800 -7.4337E+00 1.8689E+01 1.2810E+00 O6 1399 15.999400 -0.847600 -1.8971E+00 -1.5846E+01 -5.5676E+00 H1 1400 1.008000 0.423800 -1.9436E+00 -1.6530E+01 -4.8395E+00 H2 1401 1.008000 0.423800 -1.5552E+00 -1.6274E+01 -6.4046E+00 O6 1402 15.999400 -0.847600 -4.6563E-01 -4.6045E+00 3.3956E+00 H1 1403 1.008000 0.423800 2.5327E-01 -5.1398E+00 2.9521E+00 H2 1404 1.008000 0.423800 -3.7431E-01 -3.6434E+00 3.1352E+00 O6 1405 15.999400 -0.847600 1.0666E+01 4.8115E+00 -8.4360E+00 H1 1406 1.008000 0.423800 1.0190E+01 4.4191E+00 -7.6493E+00 H2 1407 1.008000 0.423800 1.1206E+01 5.5994E+00 -8.1395E+00 O6 1408 15.999400 -0.847600 -5.1897E+00 1.7799E+01 8.3327E+00 H1 1409 1.008000 0.423800 -6.0835E+00 1.8009E+01 8.7292E+00 H2 1410 1.008000 0.423800 -4.4690E+00 1.8132E+01 8.9403E+00 O6 1411 15.999400 -0.847600 -8.7914E+00 1.4048E+01 -7.0406E+00 H1 1412 1.008000 0.423800 -7.9497E+00 1.4523E+01 -7.2982E+00 H2 1413 1.008000 0.423800 -8.9607E+00 1.3299E+01 -7.6805E+00 O6 1414 15.999400 -0.847600 1.6183E+01 -1.2378E+01 -1.0277E+01 H1 1415 1.008000 0.423800 1.6227E+01 -1.2377E+01 -1.1276E+01 H2 1416 1.008000 0.423800 1.5696E+01 -1.1563E+01 -9.9633E+00 O6 1417 15.999400 -0.847600 -5.8452E+00 -8.7222E-01 5.4753E+00 H1 1418 1.008000 0.423800 -6.4821E+00 -4.2960E-01 6.1066E+00 H2 1419 1.008000 0.423800 -5.1631E+00 -2.0786E-01 5.1697E+00 O6 1420 15.999400 -0.847600 -1.9087E+01 1.3955E+01 -3.4749E-01 H1 1421 1.008000 0.423800 -1.9347E+01 1.4048E+01 -1.3088E+00 H2 1422 1.008000 0.423800 1.9343E+01 1.3379E+01 1.2397E-01 O6 1423 15.999400 -0.847600 7.5352E+00 1.4829E+01 6.7089E+00 H1 1424 1.008000 0.423800 7.9979E+00 1.3979E+01 6.4559E+00 H2 1425 1.008000 0.423800 8.0945E+00 1.5609E+01 6.4288E+00 O6 1426 15.999400 -0.847600 -1.2998E+00 -8.2746E+00 -2.3108E+00 H1 1427 1.008000 0.423800 -8.0606E-01 -8.4083E+00 -3.1701E+00 H2 1428 1.008000 0.423800 -1.8906E+00 -7.4715E+00 -2.3874E+00 O6 1429 15.999400 -0.847600 1.8922E+00 -1.6140E+01 -1.9513E+01 H1 1430 1.008000 0.423800 1.5123E+00 -1.5233E+01 -1.9331E+01 H2 1431 1.008000 0.423800 2.8847E+00 -1.6115E+01 -1.9393E+01 O6 1432 15.999400 -0.847600 -2.4793E+00 -8.1768E-01 -1.6850E+01 H1 1433 1.008000 0.423800 -1.9143E+00 -1.4347E+00 -1.6302E+01 H2 1434 1.008000 0.423800 -1.9637E+00 1.4983E-02 -1.7052E+01 O6 1435 15.999400 -0.847600 -1.4979E+01 -2.8757E-02 1.2425E+01 H1 1436 1.008000 0.423800 -1.4330E+01 7.2539E-01 1.2524E+01 H2 1437 1.008000 0.423800 -1.5136E+01 -4.5355E-01 1.3316E+01 O6 1438 15.999400 -0.847600 -5.2566E+00 1.2544E+01 -1.8573E+01 H1 1439 1.008000 0.423800 -4.3822E+00 1.2059E+01 -1.8558E+01 H2 1440 1.008000 0.423800 -5.1356E+00 1.3462E+01 -1.8193E+01 O6 1441 15.999400 -0.847600 -1.2836E+01 6.2937E+00 -5.5769E+00 H1 1442 1.008000 0.423800 -1.3174E+01 7.2103E+00 -5.3630E+00 H2 1443 1.008000 0.423800 -1.2193E+01 6.0021E+00 -4.8692E+00 O6 1444 15.999400 -0.847600 -8.6624E-01 3.0837E+00 -1.0534E+00 H1 1445 1.008000 0.423800 -1.0632E+00 2.2645E+00 -5.1472E-01 H2 1446 1.008000 0.423800 -1.8213E-02 2.9495E+00 -1.5660E+00 O6 1447 15.999400 -0.847600 1.4240E+01 1.4921E+01 -8.3534E+00 H1 1448 1.008000 0.423800 1.3368E+01 1.5084E+01 -8.8152E+00 H2 1449 1.008000 0.423800 1.4991E+01 1.5093E+01 -8.9904E+00 O6 1450 15.999400 -0.847600 1.7318E+01 -1.7674E+01 -6.2501E+00 H1 1451 1.008000 0.423800 1.7438E+01 -1.8513E+01 -6.7813E+00 H2 1452 1.008000 0.423800 1.6352E+01 -1.7415E+01 -6.2500E+00 O6 1453 15.999400 -0.847600 5.1134E+00 4.4660E+00 -9.3059E+00 H1 1454 1.008000 0.423800 5.7546E+00 5.1002E+00 -8.8737E+00 H2 1455 1.008000 0.423800 5.6197E+00 3.8096E+00 -9.8650E+00 O6 1456 15.999400 -0.847600 1.2872E+01 -4.2123E+00 -5.7981E+00 H1 1457 1.008000 0.423800 1.2930E+01 -3.2812E+00 -6.1581E+00 H2 1458 1.008000 0.423800 1.3001E+01 -4.1950E+00 -4.8067E+00 O6 1459 15.999400 -0.847600 9.7589E+00 1.2045E+01 -1.4826E+00 H1 1460 1.008000 0.423800 9.7161E+00 1.1465E+01 -2.2963E+00 H2 1461 1.008000 0.423800 1.0637E+01 1.1910E+01 -1.0233E+00 O6 1462 15.999400 -0.847600 1.2367E+01 -1.7472E+01 1.5577E+01 H1 1463 1.008000 0.423800 1.1393E+01 -1.7245E+01 1.5585E+01 H2 1464 1.008000 0.423800 1.2626E+01 -1.7796E+01 1.4667E+01 O6 1465 15.999400 -0.847600 -1.7601E+01 6.3723E-01 -4.4102E+00 H1 1466 1.008000 0.423800 -1.6657E+01 9.5720E-01 -4.4951E+00 H2 1467 1.008000 0.423800 -1.8226E+01 1.3654E+00 -4.6909E+00 O6 1468 15.999400 -0.847600 4.8105E+00 4.3963E+00 1.0928E+01 H1 1469 1.008000 0.423800 5.6741E+00 4.8655E+00 1.0744E+01 H2 1470 1.008000 0.423800 4.0749E+00 5.0696E+00 1.1003E+01 O6 1471 15.999400 -0.847600 1.8953E+01 1.5927E+01 6.8890E+00 H1 1472 1.008000 0.423800 1.8025E+01 1.6025E+01 6.5308E+00 H2 1473 1.008000 0.423800 -1.9491E+01 1.6296E+01 6.2280E+00 O6 1474 15.999400 -0.847600 1.6701E+01 1.8794E+01 1.5916E+01 H1 1475 1.008000 0.423800 1.6421E+01 -1.9506E+01 1.6451E+01 H2 1476 1.008000 0.423800 1.6078E+01 1.8676E+01 1.5142E+01 O6 1477 15.999400 -0.847600 6.5193E+00 1.5464E+01 -8.6793E+00 H1 1478 1.008000 0.423800 7.3200E+00 1.5060E+01 -9.1214E+00 H2 1479 1.008000 0.423800 5.6950E+00 1.5208E+01 -9.1842E+00 O6 1480 15.999400 -0.847600 -5.0670E+00 -7.7049E+00 -5.3077E+00 H1 1481 1.008000 0.423800 -5.0288E+00 -7.0687E+00 -4.5370E+00 H2 1482 1.008000 0.423800 -5.0788E+00 -8.6440E+00 -4.9643E+00 O6 1483 15.999400 -0.847600 3.2735E+00 -1.7415E+01 -5.5356E+00 H1 1484 1.008000 0.423800 4.1446E+00 -1.7876E+01 -5.7042E+00 H2 1485 1.008000 0.423800 2.8956E+00 -1.7725E+01 -4.6632E+00 O6 1486 15.999400 -0.847600 -1.4861E+01 -1.5863E+01 -1.0717E+01 H1 1487 1.008000 0.423800 -1.5347E+01 -1.5423E+01 -9.9623E+00 H2 1488 1.008000 0.423800 -1.4819E+01 -1.6849E+01 -1.0557E+01 O6 1489 15.999400 -0.847600 1.5971E+01 -6.9224E+00 -3.0442E+00 H1 1490 1.008000 0.423800 1.6011E+01 -6.2162E+00 -3.7511E+00 H2 1491 1.008000 0.423800 1.6878E+01 -7.0411E+00 -2.6397E+00 O6 1492 15.999400 -0.847600 -1.1558E+01 2.8707E+00 1.5586E+01 H1 1493 1.008000 0.423800 -1.0682E+01 2.8651E+00 1.5105E+01 H2 1494 1.008000 0.423800 -1.1410E+01 2.6496E+00 1.6550E+01 O6 1495 15.999400 -0.847600 -1.3214E+01 1.9548E+01 -1.9033E+01 H1 1496 1.008000 0.423800 -1.3745E+01 1.8778E+01 -1.8681E+01 H2 1497 1.008000 0.423800 -1.2264E+01 1.9462E+01 -1.8732E+01 O6 1498 15.999400 -0.847600 -1.9499E+01 9.5725E+00 -5.7129E+00 H1 1499 1.008000 0.423800 -1.9544E+01 9.5290E+00 -4.7148E+00 H2 1500 1.008000 0.423800 1.9445E+01 8.6606E+00 -6.0934E+00 O6 1501 15.999400 -0.847600 1.9259E+01 7.3323E+00 5.1889E+00 H1 1502 1.008000 0.423800 -1.8947E+01 7.5788E+00 4.8091E+00 H2 1503 1.008000 0.423800 1.8951E+01 6.4712E+00 4.7843E+00 O6 1504 15.999400 -0.847600 -2.3630E+00 1.4635E+01 1.9665E+00 H1 1505 1.008000 0.423800 -1.9227E+00 1.4089E+01 1.2532E+00 H2 1506 1.008000 0.423800 -2.2440E+00 1.5607E+01 1.7642E+00 O6 1507 15.999400 -0.847600 -1.8382E+01 -1.3451E+01 -9.5114E+00 H1 1508 1.008000 0.423800 -1.9085E+01 -1.2806E+01 -9.2130E+00 H2 1509 1.008000 0.423800 -1.8724E+01 -1.3981E+01 -1.0288E+01 O6 1510 15.999400 -0.847600 -7.1833E+00 9.7656E+00 7.2453E+00 H1 1511 1.008000 0.423800 -7.5116E+00 1.0665E+01 6.9552E+00 H2 1512 1.008000 0.423800 -6.5540E+00 9.4029E+00 6.5580E+00 O6 1513 15.999400 -0.847600 1.0497E+01 -1.2544E+01 5.4621E+00 H1 1514 1.008000 0.423800 1.0482E+01 -1.3355E+01 6.0479E+00 H2 1515 1.008000 0.423800 9.7698E+00 -1.2613E+01 4.7795E+00 O6 1516 15.999400 -0.847600 1.3933E+00 -1.0647E+01 3.6285E+00 H1 1517 1.008000 0.423800 9.6532E-01 -1.1408E+01 3.1414E+00 H2 1518 1.008000 0.423800 2.3857E+00 -1.0694E+01 3.5149E+00 O6 1519 15.999400 -0.847600 1.4385E+01 -4.7514E+00 -1.2178E+01 H1 1520 1.008000 0.423800 1.3755E+01 -4.5492E+00 -1.1428E+01 H2 1521 1.008000 0.423800 1.5027E+01 -5.4634E+00 -1.1891E+01 O6 1522 15.999400 -0.847600 1.8017E+01 -1.8955E+01 -1.4866E+01 H1 1523 1.008000 0.423800 1.7744E+01 -1.8419E+01 -1.5665E+01 H2 1524 1.008000 0.423800 1.7349E+01 -1.8824E+01 -1.4133E+01 O6 1525 15.999400 -0.847600 -1.1921E+01 -6.5281E+00 -1.8597E+01 H1 1526 1.008000 0.423800 -1.0931E+01 -6.4215E+00 -1.8508E+01 H2 1527 1.008000 0.423800 -1.2366E+01 -5.6440E+00 -1.8454E+01 O6 1528 15.999400 -0.847600 4.9504E+00 1.5138E+01 1.0654E+01 H1 1529 1.008000 0.423800 4.4126E+00 1.5035E+01 9.8171E+00 H2 1530 1.008000 0.423800 5.9237E+00 1.5153E+01 1.0425E+01 O6 1531 15.999400 -0.847600 3.4195E+00 5.2479E+00 4.0449E+00 H1 1532 1.008000 0.423800 3.0325E+00 4.4874E+00 4.5665E+00 H2 1533 1.008000 0.423800 4.0646E+00 5.7518E+00 4.6192E+00 O6 1534 15.999400 -0.847600 -9.1740E+00 -1.3391E+01 -1.0065E+01 H1 1535 1.008000 0.423800 -8.1951E+00 -1.3218E+01 -9.9552E+00 H2 1536 1.008000 0.423800 -9.6923E+00 -1.2721E+01 -9.5335E+00 O6 1537 15.999400 -0.847600 1.5206E+01 -1.9398E+01 1.1734E+00 H1 1538 1.008000 0.423800 1.5453E+01 1.8730E+01 1.1601E+00 H2 1539 1.008000 0.423800 1.4911E+01 -1.9117E+01 2.6021E-01 O6 1540 15.999400 -0.847600 1.2533E+01 -1.3249E+01 9.1893E+00 H1 1541 1.008000 0.423800 1.3271E+01 -1.2804E+01 9.6960E+00 H2 1542 1.008000 0.423800 1.1668E+01 -1.3116E+01 9.6742E+00 O6 1543 15.999400 -0.847600 9.8009E+00 1.8863E+01 1.6935E+01 H1 1544 1.008000 0.423800 9.2028E+00 -1.9445E+01 1.7074E+01 H2 1545 1.008000 0.423800 9.7967E+00 1.8293E+01 1.7756E+01 O6 1546 15.999400 -0.847600 4.3635E+00 6.0404E+00 -6.1313E+00 H1 1547 1.008000 0.423800 3.7005E+00 6.7890E+00 -6.1390E+00 H2 1548 1.008000 0.423800 3.9183E+00 5.1978E+00 -6.4343E+00 O6 1549 15.999400 -0.847600 1.7722E+01 1.2618E+01 1.0127E+00 H1 1550 1.008000 0.423800 1.7039E+01 1.1891E+01 9.4300E-01 H2 1551 1.008000 0.423800 1.7528E+01 1.3182E+01 1.8151E+00 O6 1552 15.999400 -0.847600 -1.5861E+01 1.8801E+01 -8.6344E+00 H1 1553 1.008000 0.423800 -1.6122E+01 1.7896E+01 -8.9695E+00 H2 1554 1.008000 0.423800 -1.6401E+01 1.9025E+01 -7.8231E+00 O6 1555 15.999400 -0.847600 1.1646E+01 1.6282E+01 4.1210E+00 H1 1556 1.008000 0.423800 1.1992E+01 1.6530E+01 5.0262E+00 H2 1557 1.008000 0.423800 1.1723E+01 1.7069E+01 3.5086E+00 O6 1558 15.999400 -0.847600 1.2971E+01 -1.5972E+01 3.7603E+00 H1 1559 1.008000 0.423800 1.3095E+01 -1.6396E+01 4.6575E+00 H2 1560 1.008000 0.423800 1.3520E+01 -1.5138E+01 3.7070E+00 O6 1561 15.999400 -0.847600 1.0635E+01 8.1355E+00 -4.7890E+00 H1 1562 1.008000 0.423800 1.1238E+01 8.4516E+00 -4.0563E+00 H2 1563 1.008000 0.423800 1.0245E+01 8.9247E+00 -5.2628E+00 O6 1564 15.999400 -0.847600 -1.3151E+01 8.7365E+00 -1.5154E+01 H1 1565 1.008000 0.423800 -1.4143E+01 8.7130E+00 -1.5277E+01 H2 1566 1.008000 0.423800 -1.2867E+01 9.6630E+00 -1.4907E+01 O6 1567 15.999400 -0.847600 -2.4920E+00 -4.8601E+00 -1.6641E+01 H1 1568 1.008000 0.423800 -2.0637E+00 -4.1254E+00 -1.6115E+01 H2 1569 1.008000 0.423800 -2.5793E+00 -5.6741E+00 -1.6067E+01 O6 1570 15.999400 -0.847600 -1.7007E+01 -1.6734E+00 -2.8769E+00 H1 1571 1.008000 0.423800 -1.6010E+01 -1.7443E+00 -2.8841E+00 H2 1572 1.008000 0.423800 -1.7278E+01 -7.4985E-01 -3.1489E+00 O6 1573 15.999400 -0.847600 -1.1727E+01 -3.6960E+00 -1.5727E+01 H1 1574 1.008000 0.423800 -1.2163E+01 -3.8743E+00 -1.6610E+01 H2 1575 1.008000 0.423800 -1.2430E+01 -3.5654E+00 -1.5028E+01 O6 1576 15.999400 -0.847600 4.9120E+00 -1.1972E+01 -1.6724E+01 H1 1577 1.008000 0.423800 4.4344E+00 -1.1843E+01 -1.7593E+01 H2 1578 1.008000 0.423800 5.7944E+00 -1.1503E+01 -1.6755E+01 O6 1579 15.999400 -0.847600 -1.4967E+01 -3.2752E+00 3.8558E+00 H1 1580 1.008000 0.423800 -1.4372E+01 -3.0746E+00 4.6339E+00 H2 1581 1.008000 0.423800 -1.5835E+01 -2.7906E+00 3.9665E+00 O6 1582 15.999400 -0.847600 -9.3496E+00 -4.0541E+00 6.5683E+00 H1 1583 1.008000 0.423800 -8.5490E+00 -3.6891E+00 6.0933E+00 H2 1584 1.008000 0.423800 -9.2572E+00 -3.8914E+00 7.5506E+00 O6 1585 15.999400 -0.847600 -2.7763E+00 -1.8002E+01 -1.1247E+01 H1 1586 1.008000 0.423800 -3.5859E+00 -1.7941E+01 -1.1831E+01 H2 1587 1.008000 0.423800 -2.7807E+00 -1.7247E+01 -1.0591E+01 O6 1588 15.999400 -0.847600 1.5021E+01 1.1439E+01 7.5763E+00 H1 1589 1.008000 0.423800 1.5668E+01 1.1538E+01 8.3323E+00 H2 1590 1.008000 0.423800 1.5317E+01 1.0693E+01 6.9797E+00 O6 1591 15.999400 -0.847600 -1.6122E+00 -1.3107E+01 -5.2950E+00 H1 1592 1.008000 0.423800 -1.8465E+00 -1.4002E+01 -5.6730E+00 H2 1593 1.008000 0.423800 -2.2370E+00 -1.2888E+01 -4.5456E+00 O6 1594 15.999400 -0.847600 3.5186E+00 1.2888E+01 1.7053E+01 H1 1595 1.008000 0.423800 2.6259E+00 1.3092E+01 1.6651E+01 H2 1596 1.008000 0.423800 4.1591E+00 1.3624E+01 1.6834E+01 O6 1597 15.999400 -0.847600 -1.7418E+01 -1.9451E+00 8.9343E+00 H1 1598 1.008000 0.423800 -1.7718E+01 -1.0029E+00 9.0826E+00 H2 1599 1.008000 0.423800 -1.7044E+01 -2.3135E+00 9.7853E+00 O6 1600 15.999400 -0.847600 1.6446E+01 -5.8579E+00 -1.5630E+01 H1 1601 1.008000 0.423800 1.5807E+01 -6.6265E+00 -1.5588E+01 H2 1602 1.008000 0.423800 1.5937E+01 -4.9989E+00 -1.5569E+01 O6 1603 15.999400 -0.847600 -1.5738E+01 -7.5093E+00 -1.3848E+00 H1 1604 1.008000 0.423800 -1.6051E+01 -8.3526E+00 -1.8215E+00 H2 1605 1.008000 0.423800 -1.4743E+01 -7.4424E+00 -1.4646E+00 O6 1606 15.999400 -0.847600 -2.0602E+00 1.1207E+01 9.9115E+00 H1 1607 1.008000 0.423800 -2.0889E+00 1.2063E+01 9.3945E+00 H2 1608 1.008000 0.423800 -1.3718E+00 1.0601E+01 9.5140E+00 O6 1609 15.999400 -0.847600 -1.1208E+01 8.2863E+00 1.2215E+01 H1 1610 1.008000 0.423800 -1.1222E+01 9.0874E+00 1.2813E+01 H2 1611 1.008000 0.423800 -1.1868E+01 8.4129E+00 1.1474E+01 O6 1612 15.999400 -0.847600 -2.3151E+00 -5.9838E+00 -5.8109E+00 H1 1613 1.008000 0.423800 -1.4881E+00 -6.5284E+00 -5.9506E+00 H2 1614 1.008000 0.423800 -2.5463E+00 -5.9725E+00 -4.8381E+00 O6 1615 15.999400 -0.847600 5.0631E+00 1.4232E+01 -1.7137E+01 H1 1616 1.008000 0.423800 5.5657E+00 1.4179E+01 -1.8000E+01 H2 1617 1.008000 0.423800 5.1599E+00 1.5149E+01 -1.6751E+01 O6 1618 15.999400 -0.847600 1.2394E+01 -4.5166E-01 -4.1347E+00 H1 1619 1.008000 0.423800 1.2315E+01 -1.0558E+00 -3.3417E+00 H2 1620 1.008000 0.423800 1.1511E+01 -3.9508E-01 -4.5996E+00 O6 1621 15.999400 -0.847600 -1.6093E+01 -1.8342E+01 -1.5504E+01 H1 1622 1.008000 0.423800 -1.6696E+01 -1.7560E+01 -1.5348E+01 H2 1623 1.008000 0.423800 -1.5441E+01 -1.8121E+01 -1.6229E+01 O6 1624 15.999400 -0.847600 -4.2102E+00 1.1087E+01 -1.4275E+01 H1 1625 1.008000 0.423800 -4.2802E+00 1.0664E+01 -1.5178E+01 H2 1626 1.008000 0.423800 -3.5728E+00 1.0563E+01 -1.3710E+01 O6 1627 15.999400 -0.847600 4.8178E+00 6.1379E+00 8.2841E+00 H1 1628 1.008000 0.423800 5.2033E+00 6.4415E+00 9.1554E+00 H2 1629 1.008000 0.423800 3.9721E+00 5.6314E+00 8.4523E+00 O6 1630 15.999400 -0.847600 -9.4503E+00 -6.2177E+00 -1.8254E+01 H1 1631 1.008000 0.423800 -8.6519E+00 -6.7212E+00 -1.8585E+01 H2 1632 1.008000 0.423800 -9.4948E+00 -5.3282E+00 -1.8709E+01 O6 1633 15.999400 -0.847600 -7.9294E+00 8.4204E-01 -1.8710E+01 H1 1634 1.008000 0.423800 -8.2223E+00 1.3210E+00 -1.7883E+01 H2 1635 1.008000 0.423800 -8.0761E+00 -1.4053E-01 -1.8596E+01 O6 1636 15.999400 -0.847600 -1.1319E+01 -1.4610E+01 -1.4230E+01 H1 1637 1.008000 0.423800 -1.1668E+01 -1.4565E+01 -1.3294E+01 H2 1638 1.008000 0.423800 -1.0383E+01 -1.4962E+01 -1.4220E+01 O6 1639 15.999400 -0.847600 -5.1539E+00 -9.0672E+00 -6.3932E-01 H1 1640 1.008000 0.423800 -4.4338E+00 -8.3961E+00 -4.6296E-01 H2 1641 1.008000 0.423800 -5.9269E+00 -8.8947E+00 -2.8781E-02 O6 1642 15.999400 -0.847600 3.7827E+00 -7.1784E+00 -1.4640E+01 H1 1643 1.008000 0.423800 3.5728E+00 -7.2314E+00 -1.3664E+01 H2 1644 1.008000 0.423800 4.4787E+00 -7.8590E+00 -1.4869E+01 O6 1645 15.999400 -0.847600 1.0982E+01 1.4894E+01 -1.3510E+01 H1 1646 1.008000 0.423800 1.0490E+01 1.4107E+01 -1.3136E+01 H2 1647 1.008000 0.423800 1.1908E+01 1.4616E+01 -1.3766E+01 O6 1648 15.999400 -0.847600 -8.7284E+00 5.2541E-01 -1.1322E+01 H1 1649 1.008000 0.423800 -8.3192E+00 7.9066E-01 -1.0449E+01 H2 1650 1.008000 0.423800 -8.9956E+00 -4.3753E-01 -1.1286E+01 O6 1651 15.999400 -0.847600 -4.3651E+00 6.5556E+00 1.3036E+01 H1 1652 1.008000 0.423800 -4.2360E+00 7.5363E+00 1.3183E+01 H2 1653 1.008000 0.423800 -3.8342E+00 6.0444E+00 1.3712E+01 O6 1654 15.999400 -0.847600 -1.7796E+01 -9.3299E+00 1.1728E+01 H1 1655 1.008000 0.423800 -1.8163E+01 -8.4702E+00 1.2084E+01 H2 1656 1.008000 0.423800 -1.6798E+01 -9.2825E+00 1.1706E+01 O6 1657 15.999400 -0.847600 -1.0234E+00 -3.7097E-01 -1.3508E+01 H1 1658 1.008000 0.423800 -1.8690E+00 1.6257E-01 -1.3489E+01 H2 1659 1.008000 0.423800 -1.1942E+00 -1.2797E+00 -1.3127E+01 O6 1660 15.999400 -0.847600 -9.6385E+00 -1.6939E+00 9.0275E+00 H1 1661 1.008000 0.423800 -9.1366E+00 -2.4780E+00 9.3927E+00 H2 1662 1.008000 0.423800 -1.0526E+01 -1.6252E+00 9.4827E+00 O6 1663 15.999400 -0.847600 -5.9754E+00 1.1351E+01 -1.2865E+00 H1 1664 1.008000 0.423800 -6.9358E+00 1.1603E+01 -1.1685E+00 H2 1665 1.008000 0.423800 -5.8821E+00 1.0357E+01 -1.2272E+00 O6 1666 15.999400 -0.847600 1.6925E+01 3.1243E+00 1.4925E+01 H1 1667 1.008000 0.423800 1.6616E+01 3.5544E+00 1.5774E+01 H2 1668 1.008000 0.423800 1.6336E+01 3.4150E+00 1.4171E+01 O6 1669 15.999400 -0.847600 -1.5638E+01 1.9513E+01 -4.7813E-01 H1 1670 1.008000 0.423800 -1.5147E+01 -1.9431E+01 -1.3353E+00 H2 1671 1.008000 0.423800 -1.5839E+01 1.8538E+01 -3.7950E-01 O6 1672 15.999400 -0.847600 2.5893E+00 -3.2209E+00 1.1918E+01 H1 1673 1.008000 0.423800 1.6065E+00 -3.4024E+00 1.1950E+01 H2 1674 1.008000 0.423800 2.7432E+00 -2.2401E+00 1.1798E+01 O6 1675 15.999400 -0.847600 6.5441E+00 1.1182E+00 1.7397E+01 H1 1676 1.008000 0.423800 7.2852E+00 6.4452E-01 1.6921E+01 H2 1677 1.008000 0.423800 6.0731E+00 4.7658E-01 1.8003E+01 O6 1678 15.999400 -0.847600 8.1415E+00 5.9352E+00 1.8020E+01 H1 1679 1.008000 0.423800 7.2731E+00 6.1958E+00 1.7598E+01 H2 1680 1.008000 0.423800 8.8900E+00 6.1192E+00 1.7383E+01 O6 1681 15.999400 -0.847600 -1.9645E-01 1.8090E+01 2.8992E+00 H1 1682 1.008000 0.423800 5.8600E-01 1.7532E+01 2.6232E+00 H2 1683 1.008000 0.423800 -2.9575E-01 1.8860E+01 2.2684E+00 O6 1684 15.999400 -0.847600 1.8094E+01 -3.7925E+00 -3.1293E+00 H1 1685 1.008000 0.423800 1.7773E+01 -4.0236E+00 -2.2109E+00 H2 1686 1.008000 0.423800 1.8988E+01 -4.2113E+00 -3.2848E+00 O6 1687 15.999400 -0.847600 -2.6129E+00 1.0990E+01 4.8703E+00 H1 1688 1.008000 0.423800 -2.3385E+00 1.0559E+01 5.7300E+00 H2 1689 1.008000 0.423800 -2.4125E+00 1.0372E+01 4.1095E+00 O6 1690 15.999400 -0.847600 8.8619E+00 1.4449E+01 -9.9149E+00 H1 1691 1.008000 0.423800 8.8713E+00 1.5283E+01 -1.0467E+01 H2 1692 1.008000 0.423800 8.6590E+00 1.3664E+01 -1.0500E+01 O6 1693 15.999400 -0.847600 8.7650E+00 -1.2917E+01 -5.9329E-02 H1 1694 1.008000 0.423800 8.3380E+00 -1.2055E+01 -3.2998E-01 H2 1695 1.008000 0.423800 9.6690E+00 -1.2735E+01 3.2726E-01 O6 1696 15.999400 -0.847600 1.2016E+01 1.5322E+01 -9.8334E+00 H1 1697 1.008000 0.423800 1.1335E+01 1.5908E+01 -9.3962E+00 H2 1698 1.008000 0.423800 1.1568E+01 1.4509E+01 -1.0204E+01 O6 1699 15.999400 -0.847600 -1.5295E+01 1.7652E+01 -1.8709E+01 H1 1700 1.008000 0.423800 -1.5757E+01 1.6876E+01 -1.8278E+01 H2 1701 1.008000 0.423800 -1.5972E+01 1.8232E+01 -1.9163E+01 O6 1702 15.999400 -0.847600 -4.3847E+00 1.2497E+01 -7.3532E+00 H1 1703 1.008000 0.423800 -3.5505E+00 1.2374E+01 -6.8157E+00 H2 1704 1.008000 0.423800 -5.0886E+00 1.1867E+01 -7.0254E+00 O6 1705 15.999400 -0.847600 1.8420E+01 -2.4667E+00 1.1978E+01 H1 1706 1.008000 0.423800 1.9084E+01 -3.1231E+00 1.2335E+01 H2 1707 1.008000 0.423800 1.7638E+01 -2.9588E+00 1.1595E+01 O6 1708 15.999400 -0.847600 -1.8885E+01 4.6251E+00 9.9936E+00 H1 1709 1.008000 0.423800 -1.9379E+01 3.8300E+00 1.0345E+01 H2 1710 1.008000 0.423800 -1.9494E+01 5.1692E+00 9.4173E+00 O6 1711 15.999400 -0.847600 1.7938E+01 1.3890E+01 3.4763E+00 H1 1712 1.008000 0.423800 1.8381E+01 1.4786E+01 3.4366E+00 H2 1713 1.008000 0.423800 1.8472E+01 1.3281E+01 4.0631E+00 O6 1714 15.999400 -0.847600 -1.7422E+01 -1.1656E+01 -2.2337E-01 H1 1715 1.008000 0.423800 -1.7417E+01 -1.1710E+01 7.7514E-01 H2 1716 1.008000 0.423800 -1.7750E+01 -1.0754E+01 -5.0601E-01 O6 1717 15.999400 -0.847600 1.8989E+01 -7.0840E+00 -1.5410E+01 H1 1718 1.008000 0.423800 1.9146E+01 -7.3053E+00 -1.4447E+01 H2 1719 1.008000 0.423800 1.8187E+01 -6.4919E+00 -1.5489E+01 O6 1720 15.999400 -0.847600 -1.4892E+01 1.6088E+01 1.9847E+00 H1 1721 1.008000 0.423800 -1.5188E+01 1.6505E+01 2.8443E+00 H2 1722 1.008000 0.423800 -1.4897E+01 1.5092E+01 2.0779E+00 O6 1723 15.999400 -0.847600 1.7865E+01 1.7859E+01 -1.6345E+01 H1 1724 1.008000 0.423800 1.7964E+01 1.8231E+01 -1.7268E+01 H2 1725 1.008000 0.423800 1.8052E+01 1.8577E+01 -1.5674E+01 O6 1726 15.999400 -0.847600 -8.6378E+00 -3.1077E+00 1.3345E+01 H1 1727 1.008000 0.423800 -8.4932E+00 -2.2110E+00 1.2926E+01 H2 1728 1.008000 0.423800 -9.1977E+00 -3.0054E+00 1.4167E+01 O6 1729 15.999400 -0.847600 8.4923E+00 1.2136E+01 1.8653E+01 H1 1730 1.008000 0.423800 8.6785E+00 1.2208E+01 -1.9464E+01 H2 1731 1.008000 0.423800 9.3015E+00 1.1780E+01 1.8186E+01 O6 1732 15.999400 -0.847600 -3.8323E+00 9.3952E+00 -1.6500E+01 H1 1733 1.008000 0.423800 -3.1010E+00 8.7440E+00 -1.6297E+01 H2 1734 1.008000 0.423800 -3.6024E+00 9.9077E+00 -1.7327E+01 O6 1735 15.999400 -0.847600 -1.3661E+01 1.1510E+01 -2.5068E+00 H1 1736 1.008000 0.423800 -1.3320E+01 1.2418E+01 -2.2610E+00 H2 1737 1.008000 0.423800 -1.3733E+01 1.1440E+01 -3.5016E+00 O6 1738 15.999400 -0.847600 -7.8470E+00 1.6922E+01 -1.3500E+01 H1 1739 1.008000 0.423800 -8.3007E+00 1.7597E+01 -1.4082E+01 H2 1740 1.008000 0.423800 -8.4129E+00 1.6100E+01 -1.3440E+01 O6 1741 15.999400 -0.847600 -2.8033E+00 -1.0315E+01 -1.0705E+01 H1 1742 1.008000 0.423800 -3.6223E+00 -1.0811E+01 -1.0993E+01 H2 1743 1.008000 0.423800 -2.9984E+00 -9.3345E+00 -1.0682E+01 O6 1744 15.999400 -0.847600 -1.6698E+01 -1.8198E+01 1.0141E+01 H1 1745 1.008000 0.423800 -1.5818E+01 -1.8422E+01 9.7229E+00 H2 1746 1.008000 0.423800 -1.7439E+01 -1.8547E+01 9.5664E+00 O6 1747 15.999400 -0.847600 1.1051E+01 7.9154E+00 1.3603E+01 H1 1748 1.008000 0.423800 1.0199E+01 7.7892E+00 1.3095E+01 H2 1749 1.008000 0.423800 1.1207E+01 7.1238E+00 1.4194E+01 O6 1750 15.999400 -0.847600 -4.6246E+00 2.3640E+00 1.2220E+01 H1 1751 1.008000 0.423800 -5.1864E+00 2.6118E+00 1.1431E+01 H2 1752 1.008000 0.423800 -5.0538E+00 2.7071E+00 1.3055E+01 O6 1753 15.999400 -0.847600 -1.6516E+01 -8.2580E+00 -1.6573E+01 H1 1754 1.008000 0.423800 -1.6703E+01 -8.4058E+00 -1.5602E+01 H2 1755 1.008000 0.423800 -1.7345E+01 -8.4343E+00 -1.7103E+01 O6 1756 15.999400 -0.847600 -5.2959E+00 1.4972E+01 -7.7794E+00 H1 1757 1.008000 0.423800 -5.1645E+00 1.3980E+01 -7.7811E+00 H2 1758 1.008000 0.423800 -4.4437E+00 1.5421E+01 -7.5107E+00 O6 1759 15.999400 -0.847600 -1.7210E+00 -1.8066E+01 -3.4464E+00 H1 1760 1.008000 0.423800 -2.5280E+00 -1.8246E+01 -4.0088E+00 H2 1761 1.008000 0.423800 -1.9680E+00 -1.8128E+01 -2.4794E+00 O6 1762 15.999400 -0.847600 1.7080E+01 -4.1779E+00 1.4203E+01 H1 1763 1.008000 0.423800 1.7685E+01 -3.4046E+00 1.4393E+01 H2 1764 1.008000 0.423800 1.6128E+01 -3.8736E+00 1.4242E+01 O6 1765 15.999400 -0.847600 -8.6229E-01 8.8209E+00 1.6138E+01 H1 1766 1.008000 0.423800 -1.2093E+00 8.0483E+00 1.5606E+01 H2 1767 1.008000 0.423800 -8.3056E-01 8.5717E+00 1.7106E+01 O6 1768 15.999400 -0.847600 1.5183E+01 1.0758E+01 1.5859E+01 H1 1769 1.008000 0.423800 1.5673E+01 1.1483E+01 1.6344E+01 H2 1770 1.008000 0.423800 1.5748E+01 9.9337E+00 1.5833E+01 O6 1771 15.999400 -0.847600 2.0753E+00 -1.6122E+01 1.6021E+00 H1 1772 1.008000 0.423800 2.8839E+00 -1.6711E+01 1.6106E+00 H2 1773 1.008000 0.423800 2.2734E+00 -1.5277E+01 2.0973E+00 O6 1774 15.999400 -0.847600 -4.3120E+00 1.4280E+01 -1.6612E+01 H1 1775 1.008000 0.423800 -4.6638E+00 1.3656E+01 -1.5915E+01 H2 1776 1.008000 0.423800 -4.8129E+00 1.5145E+01 -1.6568E+01 O6 1777 15.999400 -0.847600 -1.3979E+01 -6.3313E+00 -4.7356E+00 H1 1778 1.008000 0.423800 -1.3196E+01 -6.1935E+00 -5.3418E+00 H2 1779 1.008000 0.423800 -1.3668E+01 -6.7342E+00 -3.8750E+00 O6 1780 15.999400 -0.847600 -6.9199E-01 8.2783E+00 7.3390E-02 H1 1781 1.008000 0.423800 -1.4209E+00 8.5515E+00 -5.5442E-01 H2 1782 1.008000 0.423800 -5.9592E-01 7.2830E+00 5.9582E-02 O6 1783 15.999400 -0.847600 4.3541E+00 -1.7990E+01 1.4765E+01 H1 1784 1.008000 0.423800 3.3980E+00 -1.8071E+01 1.4483E+01 H2 1785 1.008000 0.423800 4.4993E+00 -1.7103E+01 1.5201E+01 O6 1786 15.999400 -0.847600 -1.7557E+01 7.4182E+00 3.5959E+00 H1 1787 1.008000 0.423800 -1.7084E+01 6.5454E+00 3.4738E+00 H2 1788 1.008000 0.423800 -1.8224E+01 7.5413E+00 2.8613E+00 O6 1789 15.999400 -0.847600 4.7780E+00 -9.6645E+00 -1.2567E+01 H1 1790 1.008000 0.423800 4.0119E+00 -9.8741E+00 -1.1959E+01 H2 1791 1.008000 0.423800 5.4599E+00 -9.1275E+00 -1.2070E+01 O6 1792 15.999400 -0.847600 -1.2564E+01 1.1538E+01 -1.1468E+01 H1 1793 1.008000 0.423800 -1.3203E+01 1.1350E+01 -1.2213E+01 H2 1794 1.008000 0.423800 -1.3047E+01 1.1994E+01 -1.0721E+01 O6 1795 15.999400 -0.847600 1.5113E+01 -2.0309E+00 -1.1907E+01 H1 1796 1.008000 0.423800 1.5832E+01 -1.8220E+00 -1.1244E+01 H2 1797 1.008000 0.423800 1.5121E+01 -3.0100E+00 -1.2110E+01 O6 1798 15.999400 -0.847600 1.6459E+00 -4.3638E-01 1.1571E+01 H1 1799 1.008000 0.423800 1.6577E+00 -5.8510E-01 1.2560E+01 H2 1800 1.008000 0.423800 1.3201E+00 4.8895E-01 1.1377E+01 O6 1801 15.999400 -0.847600 -4.5022E+00 -1.7884E+01 -7.9074E+00 H1 1802 1.008000 0.423800 -3.5174E+00 -1.7759E+01 -8.0276E+00 H2 1803 1.008000 0.423800 -4.8138E+00 -1.8642E+01 -8.4807E+00 O6 1804 15.999400 -0.847600 -6.9656E+00 -1.4591E+01 1.7175E+01 H1 1805 1.008000 0.423800 -7.6530E+00 -1.3974E+01 1.6792E+01 H2 1806 1.008000 0.423800 -6.4756E+00 -1.5046E+01 1.6431E+01 O6 1807 15.999400 -0.847600 -6.8636E+00 -7.2818E+00 4.3709E+00 H1 1808 1.008000 0.423800 -7.5026E+00 -7.7783E+00 4.9584E+00 H2 1809 1.008000 0.423800 -6.2615E+00 -6.7175E+00 4.9355E+00 O6 1810 15.999400 -0.847600 -1.5637E+00 1.7490E+01 -1.3072E+00 H1 1811 1.008000 0.423800 -2.0579E+00 1.7268E+01 -4.6647E-01 H2 1812 1.008000 0.423800 -1.9651E+00 1.8305E+01 -1.7248E+00 O6 1813 15.999400 -0.847600 -1.8788E+01 -3.4745E+00 7.1740E+00 H1 1814 1.008000 0.423800 -1.8331E+01 -2.9124E+00 7.8634E+00 H2 1815 1.008000 0.423800 -1.9468E+01 -4.0583E+00 7.6174E+00 O6 1816 15.999400 -0.847600 1.7196E+00 2.3769E+00 -2.2794E+00 H1 1817 1.008000 0.423800 2.0455E+00 2.2954E+00 -1.3375E+00 H2 1818 1.008000 0.423800 2.1383E+00 3.1771E+00 -2.7088E+00 O6 1819 15.999400 -0.847600 2.2744E+00 3.7590E+00 -1.5027E+01 H1 1820 1.008000 0.423800 2.4513E+00 3.4993E+00 -1.4078E+01 H2 1821 1.008000 0.423800 1.3951E+00 4.2318E+00 -1.5085E+01 O6 1822 15.999400 -0.847600 9.5650E+00 -3.0754E+00 -6.7428E+00 H1 1823 1.008000 0.423800 8.6294E+00 -2.7408E+00 -6.8553E+00 H2 1824 1.008000 0.423800 9.5596E+00 -4.0748E+00 -6.7078E+00 O6 1825 15.999400 -0.847600 8.8317E+00 9.4399E+00 1.0606E+01 H1 1826 1.008000 0.423800 8.8481E+00 8.4861E+00 1.0906E+01 H2 1827 1.008000 0.423800 9.3223E+00 9.5247E+00 9.7386E+00 O6 1828 15.999400 -0.847600 -5.5217E+00 3.0363E+00 -1.4713E+00 H1 1829 1.008000 0.423800 -5.6899E+00 3.4327E+00 -5.6869E-01 H2 1830 1.008000 0.423800 -4.7106E+00 3.4594E+00 -1.8751E+00 O6 1831 15.999400 -0.847600 1.8869E+01 9.6260E+00 -1.7413E+01 H1 1832 1.008000 0.423800 1.8448E+01 9.9083E+00 -1.6551E+01 H2 1833 1.008000 0.423800 -1.9334E+01 9.2190E+00 -1.7229E+01 O6 1834 15.999400 -0.847600 -1.3305E+00 1.3348E+01 -1.9172E-01 H1 1835 1.008000 0.423800 -3.8276E-01 1.3467E+01 1.0434E-01 H2 1836 1.008000 0.423800 -1.4276E+00 1.3667E+01 -1.1345E+00 O6 1837 15.999400 -0.847600 -1.4614E+01 -1.7526E+01 -1.7798E+01 H1 1838 1.008000 0.423800 -1.4103E+01 -1.6708E+01 -1.7530E+01 H2 1839 1.008000 0.423800 -1.4062E+01 -1.8072E+01 -1.8428E+01 O6 1840 15.999400 -0.847600 1.9504E+01 1.7250E+01 -6.2422E+00 H1 1841 1.008000 0.423800 -1.9441E+01 1.6344E+01 -5.8472E+00 H2 1842 1.008000 0.423800 1.8837E+01 1.7747E+01 -5.6873E+00 O6 1843 15.999400 -0.847600 1.3941E+01 1.1159E+01 4.8573E+00 H1 1844 1.008000 0.423800 1.3618E+01 1.1450E+01 5.7575E+00 H2 1845 1.008000 0.423800 1.3202E+01 1.0688E+01 4.3745E+00 O6 1846 15.999400 -0.847600 1.7843E+01 1.5191E+01 -1.6930E+01 H1 1847 1.008000 0.423800 1.6889E+01 1.4890E+01 -1.6954E+01 H2 1848 1.008000 0.423800 1.7908E+01 1.6052E+01 -1.6426E+01 O6 1849 15.999400 -0.847600 -9.2160E+00 5.2760E+00 -9.1200E+00 H1 1850 1.008000 0.423800 -9.7570E+00 6.0778E+00 -8.8662E+00 H2 1851 1.008000 0.423800 -9.0599E+00 5.2783E+00 -1.0108E+01 O6 1852 15.999400 -0.847600 -1.6641E+01 6.4236E+00 -3.5845E-01 H1 1853 1.008000 0.423800 -1.5696E+01 6.5725E+00 -6.5210E-01 H2 1854 1.008000 0.423800 -1.7090E+01 7.3064E+00 -2.2213E-01 O6 1855 15.999400 -0.847600 1.4830E+01 -7.5851E+00 -8.8823E+00 H1 1856 1.008000 0.423800 1.4825E+01 -6.8386E+00 -8.2169E+00 H2 1857 1.008000 0.423800 1.5576E+01 -7.4456E+00 -9.5337E+00 O6 1858 15.999400 -0.847600 -3.3842E+00 -7.2959E+00 -9.0793E-02 H1 1859 1.008000 0.423800 -2.4859E+00 -7.5059E+00 2.9509E-01 H2 1860 1.008000 0.423800 -3.4715E+00 -6.3073E+00 -2.1340E-01 O6 1861 15.999400 -0.847600 1.8153E+01 -1.6871E+01 1.4304E+01 H1 1862 1.008000 0.423800 1.8824E+01 -1.7301E+01 1.3701E+01 H2 1863 1.008000 0.423800 1.8602E+01 -1.6580E+01 1.5149E+01 O6 1864 15.999400 -0.847600 -1.1603E+01 1.7933E+01 6.2299E+00 H1 1865 1.008000 0.423800 -1.0807E+01 1.8477E+01 6.4942E+00 H2 1866 1.008000 0.423800 -1.1540E+01 1.7699E+01 5.2596E+00 O6 1867 15.999400 -0.847600 -7.1277E+00 4.0418E+00 1.9004E+01 H1 1868 1.008000 0.423800 -6.9870E+00 4.9005E+00 1.8511E+01 H2 1869 1.008000 0.423800 -8.0661E+00 4.0047E+00 1.9348E+01 O6 1870 15.999400 -0.847600 -7.9714E+00 -5.6052E+00 -8.2534E-01 H1 1871 1.008000 0.423800 -7.9726E+00 -6.5935E+00 -6.7259E-01 H2 1872 1.008000 0.423800 -8.1008E+00 -5.1330E+00 4.6616E-02 O6 1873 15.999400 -0.847600 -1.2558E+01 1.5853E+01 7.6338E+00 H1 1874 1.008000 0.423800 -1.2260E+01 1.6677E+01 7.1514E+00 H2 1875 1.008000 0.423800 -1.2632E+01 1.6048E+01 8.6118E+00 O6 1876 15.999400 -0.847600 2.1582E+00 1.2018E+01 9.4699E+00 H1 1877 1.008000 0.423800 3.1520E+00 1.1954E+01 9.5610E+00 H2 1878 1.008000 0.423800 1.7241E+00 1.1662E+01 1.0298E+01 O6 1879 15.999400 -0.847600 -1.1914E+01 -8.1421E+00 9.7043E+00 H1 1880 1.008000 0.423800 -1.1639E+01 -8.9115E+00 1.0281E+01 H2 1881 1.008000 0.423800 -1.1477E+01 -8.2247E+00 8.8086E+00 O6 1882 15.999400 -0.847600 1.4002E+01 -1.0847E+01 -1.7524E+01 H1 1883 1.008000 0.423800 1.3664E+01 -1.0664E+01 -1.6601E+01 H2 1884 1.008000 0.423800 1.4959E+01 -1.0565E+01 -1.7591E+01 O6 1885 15.999400 -0.847600 -6.2568E+00 2.0361E+00 -5.5906E+00 H1 1886 1.008000 0.423800 -6.3858E+00 1.2365E+00 -6.1772E+00 H2 1887 1.008000 0.423800 -5.2802E+00 2.1744E+00 -5.4259E+00 O6 1888 15.999400 -0.847600 -1.1936E+00 -1.0424E+01 -5.2732E+00 H1 1889 1.008000 0.423800 -9.5841E-01 -1.1378E+01 -5.4595E+00 H2 1890 1.008000 0.423800 -1.8902E+00 -1.0386E+01 -4.5568E+00 O6 1891 15.999400 -0.847600 1.6048E+01 -2.5123E+00 7.9419E+00 H1 1892 1.008000 0.423800 1.5183E+01 -2.0138E+00 7.8788E+00 H2 1893 1.008000 0.423800 1.6277E+01 -2.6627E+00 8.9038E+00 O6 1894 15.999400 -0.847600 -4.9921E+00 1.2673E+01 5.8072E+00 H1 1895 1.008000 0.423800 -4.9725E+00 1.3145E+01 4.9260E+00 H2 1896 1.008000 0.423800 -4.2847E+00 1.1966E+01 5.8223E+00 O6 1897 15.999400 -0.847600 1.4739E+01 -5.6092E-01 1.9330E+00 H1 1898 1.008000 0.423800 1.5068E+01 -5.1546E-01 2.8764E+00 H2 1899 1.008000 0.423800 1.4697E+01 -1.5162E+00 1.6404E+00 O6 1900 15.999400 -0.847600 1.9332E+01 -6.4356E-01 -1.0733E+01 H1 1901 1.008000 0.423800 -1.9435E+01 2.0528E-01 -1.0321E+01 H2 1902 1.008000 0.423800 -1.9020E+01 -1.3093E+00 -1.0768E+01 O6 1903 15.999400 -0.847600 -9.3280E+00 1.5854E+01 -1.8944E+01 H1 1904 1.008000 0.423800 -1.0119E+01 1.5373E+01 -1.9323E+01 H2 1905 1.008000 0.423800 -9.1262E+00 1.5496E+01 -1.8032E+01 O6 1906 15.999400 -0.847600 8.8063E+00 4.4447E+00 -1.0507E+01 H1 1907 1.008000 0.423800 9.4286E+00 4.7669E+00 -9.7935E+00 H2 1908 1.008000 0.423800 8.5792E+00 3.4848E+00 -1.0342E+01 O6 1909 15.999400 -0.847600 -5.6151E+00 -4.0679E+00 9.7003E+00 H1 1910 1.008000 0.423800 -4.9629E+00 -4.6693E+00 9.2389E+00 H2 1911 1.008000 0.423800 -5.4282E+00 -4.0649E+00 1.0683E+01 O6 1912 15.999400 -0.847600 -1.1167E+01 1.8901E+01 9.2114E-01 H1 1913 1.008000 0.423800 -1.0211E+01 1.9187E+01 9.7369E-01 H2 1914 1.008000 0.423800 -1.1250E+01 1.8130E+01 2.8916E-01 O6 1915 15.999400 -0.847600 9.9039E+00 -3.6457E-01 -5.2801E+00 H1 1916 1.008000 0.423800 1.0107E+01 -1.1769E+00 -5.8269E+00 H2 1917 1.008000 0.423800 9.1978E+00 1.7664E-01 -5.7367E+00 O6 1918 15.999400 -0.847600 -1.1947E+01 9.4313E+00 -6.0894E+00 H1 1919 1.008000 0.423800 -1.1892E+01 1.0186E+01 -6.7437E+00 H2 1920 1.008000 0.423800 -1.1032E+01 9.0587E+00 -5.9327E+00 O6 1921 15.999400 -0.847600 -5.8458E+00 -2.3489E+00 1.9195E+01 H1 1922 1.008000 0.423800 -5.2070E+00 -1.6080E+00 1.9402E+01 H2 1923 1.008000 0.423800 -6.2852E+00 -2.1734E+00 1.8314E+01 O6 1924 15.999400 -0.847600 5.0813E+00 4.0941E+00 -2.6663E+00 H1 1925 1.008000 0.423800 5.8636E+00 4.6272E+00 -2.9884E+00 H2 1926 1.008000 0.423800 4.2341E+00 4.5719E+00 -2.8984E+00 O6 1927 15.999400 -0.847600 -1.3626E+01 8.5436E+00 1.1076E+01 H1 1928 1.008000 0.423800 -1.4026E+01 9.1330E+00 1.1778E+01 H2 1929 1.008000 0.423800 -1.4180E+01 7.7165E+00 1.0980E+01 O6 1930 15.999400 -0.847600 1.1351E+01 -1.6548E+01 -4.8376E+00 H1 1931 1.008000 0.423800 1.2264E+01 -1.6144E+01 -4.8933E+00 H2 1932 1.008000 0.423800 1.0662E+01 -1.5838E+01 -4.9816E+00 O6 1933 15.999400 -0.847600 -4.4780E+00 9.1369E+00 1.3477E+01 H1 1934 1.008000 0.423800 -4.2541E+00 9.8656E+00 1.4125E+01 H2 1935 1.008000 0.423800 -4.1293E+00 9.3770E+00 1.2572E+01 O6 1936 15.999400 -0.847600 -1.2961E+01 -1.5330E+00 1.7796E+01 H1 1937 1.008000 0.423800 -1.3139E+01 -6.4716E-01 1.7368E+01 H2 1938 1.008000 0.423800 -1.3473E+01 -2.2447E+00 1.7316E+01 O6 1939 15.999400 -0.847600 1.0139E+01 -5.7921E+00 -7.2564E+00 H1 1940 1.008000 0.423800 1.0696E+01 -6.2252E+00 -7.9651E+00 H2 1941 1.008000 0.423800 1.0350E+01 -6.2033E+00 -6.3695E+00 O6 1942 15.999400 -0.847600 1.5018E+00 -1.1793E+01 -1.7391E+01 H1 1943 1.008000 0.423800 8.3929E-01 -1.1044E+01 -1.7385E+01 H2 1944 1.008000 0.423800 2.3090E+00 -1.1520E+01 -1.7914E+01 O6 1945 15.999400 -0.847600 1.0905E+01 3.8483E+00 1.8409E+01 H1 1946 1.008000 0.423800 1.0647E+01 4.7969E+00 1.8225E+01 H2 1947 1.008000 0.423800 1.0086E+01 3.2734E+00 1.8401E+01 O6 1948 15.999400 -0.847600 -1.0293E+01 1.7678E+01 -8.2407E+00 H1 1949 1.008000 0.423800 -1.0551E+01 1.7765E+01 -9.2030E+00 H2 1950 1.008000 0.423800 -1.0112E+01 1.8585E+01 -7.8605E+00 O6 1951 15.999400 -0.847600 1.8256E+01 -1.4247E+01 1.2556E+01 H1 1952 1.008000 0.423800 1.9135E+01 -1.4648E+01 1.2813E+01 H2 1953 1.008000 0.423800 1.8412E+01 -1.3406E+01 1.2037E+01 O6 1954 15.999400 -0.847600 -1.6501E+01 5.5003E+00 2.1923E+00 H1 1955 1.008000 0.423800 -1.6415E+01 5.9131E+00 1.2854E+00 H2 1956 1.008000 0.423800 -1.6054E+01 4.6054E+00 2.1943E+00 O6 1957 15.999400 -0.847600 -1.2198E+01 -1.4115E+00 1.0812E+01 H1 1958 1.008000 0.423800 -1.2957E+01 -8.2452E-01 1.0532E+01 H2 1959 1.008000 0.423800 -1.1697E+01 -9.7493E-01 1.1559E+01 O6 1960 15.999400 -0.847600 -1.0208E+01 1.2011E+01 -1.3020E+01 H1 1961 1.008000 0.423800 -1.1090E+01 1.1938E+01 -1.2556E+01 H2 1962 1.008000 0.423800 -9.5501E+00 1.1396E+01 -1.2585E+01 O6 1963 15.999400 -0.847600 1.1323E+01 1.1938E+01 -1.3319E+01 H1 1964 1.008000 0.423800 1.2073E+01 1.1336E+01 -1.3044E+01 H2 1965 1.008000 0.423800 1.1308E+01 1.2017E+01 -1.4316E+01 O6 1966 15.999400 -0.847600 8.0937E+00 -1.3120E+01 -7.6659E+00 H1 1967 1.008000 0.423800 8.8086E+00 -1.3077E+01 -6.9679E+00 H2 1968 1.008000 0.423800 7.5027E+00 -1.3907E+01 -7.4899E+00 O6 1969 15.999400 -0.847600 -1.6948E+01 1.6378E+01 -9.2920E+00 H1 1970 1.008000 0.423800 -1.6590E+01 1.5829E+01 -8.5366E+00 H2 1971 1.008000 0.423800 -1.6662E+01 1.5976E+01 -1.0161E+01 O6 1972 15.999400 -0.847600 -8.1539E+00 4.6198E+00 -1.6658E+01 H1 1973 1.008000 0.423800 -8.7373E+00 4.7258E+00 -1.7463E+01 H2 1974 1.008000 0.423800 -8.5610E+00 5.1067E+00 -1.5885E+01 O6 1975 15.999400 -0.847600 -1.2429E+01 -3.4353E+00 -4.5879E+00 H1 1976 1.008000 0.423800 -1.1449E+01 -3.2464E+00 -4.5196E+00 H2 1977 1.008000 0.423800 -1.2645E+01 -3.7412E+00 -5.5150E+00 O6 1978 15.999400 -0.847600 1.5123E+01 9.1158E+00 -1.4538E+01 H1 1979 1.008000 0.423800 1.5335E+01 8.1589E+00 -1.4737E+01 H2 1980 1.008000 0.423800 1.5033E+01 9.6219E+00 -1.5396E+01 O6 1981 15.999400 -0.847600 -1.1694E+01 1.7086E+01 3.5796E+00 H1 1982 1.008000 0.423800 -1.0752E+01 1.6753E+01 3.6294E+00 H2 1983 1.008000 0.423800 -1.1965E+01 1.7177E+01 2.6213E+00 O6 1984 15.999400 -0.847600 -4.4969E+00 5.8745E+00 -1.3502E+01 H1 1985 1.008000 0.423800 -4.9172E+00 4.9673E+00 -1.3485E+01 H2 1986 1.008000 0.423800 -4.9630E+00 6.4450E+00 -1.4179E+01 O6 1987 15.999400 -0.847600 -1.2886E+01 5.8313E+00 6.7212E-01 H1 1988 1.008000 0.423800 -1.3261E+01 6.0859E+00 -2.1935E-01 H2 1989 1.008000 0.423800 -1.3060E+01 4.8615E+00 8.4230E-01 O6 1990 15.999400 -0.847600 9.7823E+00 1.7431E+01 1.9224E+01 H1 1991 1.008000 0.423800 9.2729E+00 1.8180E+01 -1.9450E+01 H2 1992 1.008000 0.423800 1.0640E+01 1.7290E+01 -1.9380E+01 O6 1993 15.999400 -0.847600 1.6663E+01 2.6492E+00 6.6522E+00 H1 1994 1.008000 0.423800 1.5954E+01 1.9446E+00 6.6321E+00 H2 1995 1.008000 0.423800 1.7403E+01 2.3604E+00 7.2604E+00 O6 1996 15.999400 -0.847600 -1.2087E+01 -1.2367E+01 -1.8314E+01 H1 1997 1.008000 0.423800 -1.1655E+01 -1.2035E+01 -1.9153E+01 H2 1998 1.008000 0.423800 -1.2210E+01 -1.3357E+01 -1.8371E+01 O6 1999 15.999400 -0.847600 -4.3190E+00 5.2716E+00 -1.8816E+01 H1 2000 1.008000 0.423800 -3.7391E+00 4.7761E+00 -1.9462E+01 H2 2001 1.008000 0.423800 -5.0257E+00 5.7711E+00 -1.9317E+01 O6 2002 15.999400 -0.847600 1.8862E+01 1.7139E+01 -1.6723E+00 H1 2003 1.008000 0.423800 1.9478E+01 1.6871E+01 -2.4130E+00 H2 2004 1.008000 0.423800 1.9329E+01 1.7031E+01 -7.9478E-01 O6 2005 15.999400 -0.847600 2.3240E+00 1.1779E-01 7.8729E+00 H1 2006 1.008000 0.423800 2.9444E+00 5.1792E-01 7.1983E+00 H2 2007 1.008000 0.423800 1.6808E+00 -4.9407E-01 7.4125E+00 O6 2008 15.999400 -0.847600 9.5352E+00 -8.6773E+00 -1.5218E+01 H1 2009 1.008000 0.423800 8.9011E+00 -8.1953E+00 -1.5823E+01 H2 2010 1.008000 0.423800 9.0607E+00 -8.9381E+00 -1.4377E+01 O6 2011 15.999400 -0.847600 1.4514E+01 -2.9824E+00 1.4493E+01 H1 2012 1.008000 0.423800 1.3575E+01 -3.3018E+00 1.4622E+01 H2 2013 1.008000 0.423800 1.4518E+01 -2.2067E+00 1.3862E+01 O6 2014 15.999400 -0.847600 1.7760E+01 -8.5063E+00 1.6251E+01 H1 2015 1.008000 0.423800 1.7889E+01 -9.2447E+00 1.5589E+01 H2 2016 1.008000 0.423800 1.8071E+01 -7.6434E+00 1.5852E+01 O6 2017 15.999400 -0.847600 1.6657E+01 -1.3702E+01 1.4710E+01 H1 2018 1.008000 0.423800 1.7024E+01 -1.3973E+01 1.3821E+01 H2 2019 1.008000 0.423800 1.6264E+01 -1.4500E+01 1.5166E+01 O6 2020 15.999400 -0.847600 -7.5377E+00 1.2755E+01 6.7154E+00 H1 2021 1.008000 0.423800 -7.3772E+00 1.3151E+01 7.6193E+00 H2 2022 1.008000 0.423800 -6.7068E+00 1.2833E+01 6.1647E+00 O6 2023 15.999400 -0.847600 9.3977E+00 9.3666E+00 -1.0801E+01 H1 2024 1.008000 0.423800 1.0069E+01 9.9972E+00 -1.0411E+01 H2 2025 1.008000 0.423800 9.7690E+00 8.9580E+00 -1.1635E+01 O6 2026 15.999400 -0.847600 6.3186E+00 -1.4331E+01 -4.8235E+00 H1 2027 1.008000 0.423800 5.3435E+00 -1.4120E+01 -4.7528E+00 H2 2028 1.008000 0.423800 6.4984E+00 -1.4789E+01 -5.6938E+00 O6 2029 15.999400 -0.847600 -1.3991E+01 3.2397E+00 5.8417E-01 H1 2030 1.008000 0.423800 -1.4094E+01 3.0068E+00 -3.8290E-01 H2 2031 1.008000 0.423800 -1.3341E+01 2.6111E+00 1.0110E+00 O6 2032 15.999400 -0.847600 -1.9248E+01 -1.8209E+01 1.2759E+01 H1 2033 1.008000 0.423800 -1.9548E+01 -1.8938E+01 1.3375E+01 H2 2034 1.008000 0.423800 -1.8298E+01 -1.7971E+01 1.2962E+01 O6 2035 15.999400 -0.847600 1.2669E-01 7.0221E+00 8.7046E+00 H1 2036 1.008000 0.423800 -7.8064E-01 6.7991E+00 9.0611E+00 H2 2037 1.008000 0.423800 7.5566E-01 6.2696E+00 8.9000E+00 O6 2038 15.999400 -0.847600 -1.4571E+01 -1.3599E+01 -2.9094E+00 H1 2039 1.008000 0.423800 -1.5504E+01 -1.3243E+01 -2.8469E+00 H2 2040 1.008000 0.423800 -1.4538E+01 -1.4328E+01 -3.5936E+00 O6 2041 15.999400 -0.847600 5.4137E-01 1.4458E+01 1.3116E+01 H1 2042 1.008000 0.423800 -2.9897E-01 1.4639E+01 1.3627E+01 H2 2043 1.008000 0.423800 1.2509E+00 1.5102E+01 1.3403E+01 O6 2044 15.999400 -0.847600 -5.8639E+00 5.9849E+00 -9.5656E+00 H1 2045 1.008000 0.423800 -6.0492E+00 6.5897E+00 -1.0340E+01 H2 2046 1.008000 0.423800 -4.9757E+00 6.2153E+00 -9.1679E+00 O6 2047 15.999400 -0.847600 1.2434E+01 1.7692E+00 1.9487E+01 H1 2048 1.008000 0.423800 1.2763E+01 1.2362E+00 1.8707E+01 H2 2049 1.008000 0.423800 1.1782E+01 2.4571E+00 1.9169E+01 O6 2050 15.999400 -0.847600 -1.7855E+01 1.6350E+00 -7.6172E+00 H1 2051 1.008000 0.423800 -1.8784E+01 1.7449E+00 -7.9706E+00 H2 2052 1.008000 0.423800 -1.7853E+01 1.7926E+00 -6.6297E+00 O6 2053 15.999400 -0.847600 7.4440E+00 1.2354E+01 -1.1280E+01 H1 2054 1.008000 0.423800 7.3110E+00 1.2500E+01 -1.2260E+01 H2 2055 1.008000 0.423800 6.6380E+00 1.1901E+01 -1.0898E+01 O6 2056 15.999400 -0.847600 1.4382E+01 -1.4510E+01 -1.2130E+01 H1 2057 1.008000 0.423800 1.3456E+01 -1.4839E+01 -1.1945E+01 H2 2058 1.008000 0.423800 1.4988E+01 -1.4780E+01 -1.1381E+01 O6 2059 15.999400 -0.847600 -1.4815E+01 -8.4983E+00 1.2361E+01 H1 2060 1.008000 0.423800 -1.4721E+01 -8.1469E+00 1.1429E+01 H2 2061 1.008000 0.423800 -1.3908E+01 -8.6714E+00 1.2745E+01 O6 2062 15.999400 -0.847600 6.6440E+00 -1.0428E+01 1.0659E+01 H1 2063 1.008000 0.423800 6.3888E+00 -9.6136E+00 1.0138E+01 H2 2064 1.008000 0.423800 5.8350E+00 -1.0998E+01 1.0804E+01 O6 2065 15.999400 -0.847600 -3.0770E+00 1.0877E+01 -1.8959E+01 H1 2066 1.008000 0.423800 -2.0776E+00 1.0879E+01 -1.8996E+01 H2 2067 1.008000 0.423800 -3.4438E+00 1.0714E+01 1.9222E+01 O6 2068 15.999400 -0.847600 4.1157E+00 1.8884E+00 1.5871E+01 H1 2069 1.008000 0.423800 4.9905E+00 1.6787E+00 1.6308E+01 H2 2070 1.008000 0.423800 3.8972E+00 2.8544E+00 1.6009E+01 O6 2071 15.999400 -0.847600 -9.3733E+00 -6.5598E+00 3.0942E+00 H1 2072 1.008000 0.423800 -8.6454E+00 -6.7199E+00 3.7610E+00 H2 2073 1.008000 0.423800 -9.4943E+00 -7.3768E+00 2.5304E+00 O6 2074 15.999400 -0.847600 -7.8894E+00 -3.1092E+00 -1.3716E+01 H1 2075 1.008000 0.423800 -8.3513E+00 -2.6077E+00 -1.4447E+01 H2 2076 1.008000 0.423800 -7.8865E+00 -2.5561E+00 -1.2882E+01 O6 2077 15.999400 -0.847600 1.7721E+00 4.3271E+00 1.1983E+01 H1 2078 1.008000 0.423800 1.5792E+00 4.9910E+00 1.2705E+01 H2 2079 1.008000 0.423800 2.3621E+00 3.6045E+00 1.2343E+01 O6 2080 15.999400 -0.847600 -8.1225E+00 1.2403E+01 -1.5442E+01 H1 2081 1.008000 0.423800 -8.7359E+00 1.1961E+01 -1.4788E+01 H2 2082 1.008000 0.423800 -7.2547E+00 1.2617E+01 -1.4994E+01 O6 2083 15.999400 -0.847600 -1.7738E+00 1.0893E+00 1.8171E+01 H1 2084 1.008000 0.423800 -1.5039E+00 2.7058E-01 1.8678E+01 H2 2085 1.008000 0.423800 -1.4305E+00 1.0294E+00 1.7234E+01 O6 2086 15.999400 -0.847600 -4.7546E+00 2.4093E+00 8.2632E+00 H1 2087 1.008000 0.423800 -4.6863E+00 1.4801E+00 8.6265E+00 H2 2088 1.008000 0.423800 -5.0493E+00 3.0303E+00 8.9895E+00 O6 2089 15.999400 -0.847600 -8.6903E+00 1.3352E+00 4.5976E+00 H1 2090 1.008000 0.423800 -9.0799E+00 4.1506E-01 4.6381E+00 H2 2091 1.008000 0.423800 -7.7293E+00 1.2786E+00 4.3269E+00 O6 2092 15.999400 -0.847600 -1.9410E+01 -4.3664E+00 -9.7263E+00 H1 2093 1.008000 0.423800 -1.8882E+01 -3.8250E+00 -1.0381E+01 H2 2094 1.008000 0.423800 1.9006E+01 -3.7831E+00 -9.2844E+00 O6 2095 15.999400 -0.847600 1.3753E+01 1.9456E+00 5.7772E+00 H1 2096 1.008000 0.423800 1.3826E+01 1.4056E+00 6.6158E+00 H2 2097 1.008000 0.423800 1.2990E+01 2.5869E+00 5.8584E+00 O6 2098 15.999400 -0.847600 -1.5928E+01 3.0199E+00 1.8897E+01 H1 2099 1.008000 0.423800 -1.5930E+01 2.5783E+00 -1.9304E+01 H2 2100 1.008000 0.423800 -1.6609E+01 2.5829E+00 1.8309E+01 O6 2101 15.999400 -0.847600 -1.4486E+01 -1.0672E+01 -5.7022E-01 H1 2102 1.008000 0.423800 -1.4239E+01 -1.0449E+01 -1.5134E+00 H2 2103 1.008000 0.423800 -1.5430E+01 -1.1000E+01 -5.4136E-01 O6 2104 15.999400 -0.847600 -3.7592E+00 -7.1312E+00 -7.7169E+00 H1 2105 1.008000 0.423800 -3.0458E+00 -6.4802E+00 -7.4574E+00 H2 2106 1.008000 0.423800 -4.2890E+00 -7.3850E+00 -6.9077E+00 O6 2107 15.999400 -0.847600 1.1465E+01 -1.9044E+00 -1.9058E+00 H1 2108 1.008000 0.423800 1.1413E+01 -1.5743E+00 -9.6325E-01 H2 2109 1.008000 0.423800 1.0597E+01 -1.7269E+00 -2.3694E+00 O6 2110 15.999400 -0.847600 -1.9276E+01 -1.1110E+01 -1.7502E+01 H1 2111 1.008000 0.423800 -1.8667E+01 -1.0518E+01 -1.8031E+01 H2 2112 1.008000 0.423800 -1.8738E+01 -1.1809E+01 -1.7032E+01 O6 2113 15.999400 -0.847600 1.7349E+01 1.1093E+01 -3.4552E+00 H1 2114 1.008000 0.423800 1.7022E+01 1.1158E+01 -4.3979E+00 H2 2115 1.008000 0.423800 1.8232E+01 1.0624E+01 -3.4407E+00 O6 2116 15.999400 -0.847600 -1.2233E+01 -1.6115E+01 -4.0184E+00 H1 2117 1.008000 0.423800 -1.2096E+01 -1.5141E+01 -3.8373E+00 H2 2118 1.008000 0.423800 -1.1809E+01 -1.6355E+01 -4.8915E+00 O6 2119 15.999400 -0.847600 1.3126E+01 1.7809E+01 5.9369E+00 H1 2120 1.008000 0.423800 1.3846E+01 1.7421E+01 6.5126E+00 H2 2121 1.008000 0.423800 1.3541E+01 1.8332E+01 5.1925E+00 O6 2122 15.999400 -0.847600 -2.9431E+00 1.7520E+01 1.4151E+01 H1 2123 1.008000 0.423800 -1.9585E+00 1.7528E+01 1.3976E+01 H2 2124 1.008000 0.423800 -3.1737E+00 1.6733E+01 1.4724E+01 O6 2125 15.999400 -0.847600 7.9740E+00 1.2792E+01 2.6169E+00 H1 2126 1.008000 0.423800 7.8601E+00 1.1855E+01 2.2876E+00 H2 2127 1.008000 0.423800 8.4163E+00 1.3343E+01 1.9089E+00 O6 2128 15.999400 -0.847600 1.4202E+01 2.0283E-01 1.3657E+01 H1 2129 1.008000 0.423800 1.4127E+01 1.1985E+00 1.3601E+01 H2 2130 1.008000 0.423800 1.4815E+01 -4.3549E-02 1.4408E+01 O6 2131 15.999400 -0.847600 1.7412E+01 -9.5935E+00 -1.2789E+01 H1 2132 1.008000 0.423800 1.6936E+01 -9.8259E+00 -1.3637E+01 H2 2133 1.008000 0.423800 1.7797E+01 -1.0423E+01 -1.2385E+01 O6 2134 15.999400 -0.847600 -1.8159E+01 1.2394E+01 -2.8993E+00 H1 2135 1.008000 0.423800 -1.7933E+01 1.1514E+01 -3.3173E+00 H2 2136 1.008000 0.423800 -1.9108E+01 1.2628E+01 -3.1089E+00 O6 2137 15.999400 -0.847600 -5.5893E+00 8.9171E+00 5.2733E+00 H1 2138 1.008000 0.423800 -5.7358E+00 7.9470E+00 5.4671E+00 H2 2139 1.008000 0.423800 -4.6083E+00 9.0986E+00 5.2039E+00 O6 2140 15.999400 -0.847600 2.0916E+00 -1.2045E+01 9.1288E+00 H1 2141 1.008000 0.423800 1.6938E+00 -1.1129E+01 9.1866E+00 H2 2142 1.008000 0.423800 2.1370E+00 -1.2329E+01 8.1709E+00 O6 2143 15.999400 -0.847600 -1.4048E+01 1.2398E+01 1.1207E+01 H1 2144 1.008000 0.423800 -1.5011E+01 1.2658E+01 1.1283E+01 H2 2145 1.008000 0.423800 -1.3692E+01 1.2169E+01 1.2113E+01 O6 2146 15.999400 -0.847600 -4.8638E+00 -1.3698E+01 4.2217E+00 H1 2147 1.008000 0.423800 -5.6984E+00 -1.4130E+01 4.5629E+00 H2 2148 1.008000 0.423800 -4.1157E+00 -1.4361E+01 4.2338E+00 O6 2149 15.999400 -0.847600 -8.7419E+00 -1.5844E+01 -1.4687E+01 H1 2150 1.008000 0.423800 -7.8990E+00 -1.5427E+01 -1.5028E+01 H2 2151 1.008000 0.423800 -8.7419E+00 -1.6820E+01 -1.4903E+01 O6 2152 15.999400 -0.847600 -1.5216E+00 2.6383E+00 7.7161E+00 H1 2153 1.008000 0.423800 -2.3461E+00 2.1138E+00 7.9287E+00 H2 2154 1.008000 0.423800 -1.6759E+00 3.1818E+00 6.8910E+00 O6 2155 15.999400 -0.847600 -5.8495E+00 -1.4651E+00 9.5038E+00 H1 2156 1.008000 0.423800 -5.6261E+00 -2.4250E+00 9.3339E+00 H2 2157 1.008000 0.423800 -6.4700E+00 -1.1363E+00 8.7919E+00 O6 2158 15.999400 -0.847600 -6.4178E+00 1.6182E+01 1.5883E+01 H1 2159 1.008000 0.423800 -6.9892E+00 1.5680E+01 1.6533E+01 H2 2160 1.008000 0.423800 -6.9752E+00 1.6859E+01 1.5403E+01 O6 2161 15.999400 -0.847600 -5.4923E+00 -5.1191E-01 -1.2946E+01 H1 2162 1.008000 0.423800 -4.7919E+00 -7.0018E-02 -1.3506E+01 H2 2163 1.008000 0.423800 -6.3837E+00 -1.0444E-01 -1.3144E+01 O6 2164 15.999400 -0.847600 -2.9235E+00 3.3401E+00 -1.0193E+01 H1 2165 1.008000 0.423800 -3.4972E+00 3.2639E+00 -1.1009E+01 H2 2166 1.008000 0.423800 -3.3313E+00 2.8121E+00 -9.4486E+00 O6 2167 15.999400 -0.847600 1.3053E+01 -1.1564E+01 -3.1533E+00 H1 2168 1.008000 0.423800 1.3433E+01 -1.2395E+01 -2.7466E+00 H2 2169 1.008000 0.423800 1.3799E+01 -1.0961E+01 -3.4374E+00 O6 2170 15.999400 -0.847600 -2.9997E+00 1.2258E+01 1.2858E+01 H1 2171 1.008000 0.423800 -3.8488E+00 1.2769E+01 1.2726E+01 H2 2172 1.008000 0.423800 -2.8208E+00 1.1695E+01 1.2051E+01 O6 2173 15.999400 -0.847600 -1.5412E+00 6.9608E+00 1.4303E+01 H1 2174 1.008000 0.423800 -1.2728E+00 6.0046E+00 1.4186E+01 H2 2175 1.008000 0.423800 -1.4692E+00 7.4369E+00 1.3427E+01 O6 2176 15.999400 -0.847600 5.9750E+00 6.4662E+00 1.6851E+01 H1 2177 1.008000 0.423800 5.2537E+00 5.7846E+00 1.6728E+01 H2 2178 1.008000 0.423800 5.9367E+00 7.1306E+00 1.6105E+01 O6 2179 15.999400 -0.847600 1.2160E+01 2.1713E+00 -6.0737E+00 H1 2180 1.008000 0.423800 1.1840E+01 2.2331E+00 -5.1283E+00 H2 2181 1.008000 0.423800 1.2762E+01 2.9448E+00 -6.2731E+00 O6 2182 15.999400 -0.847600 1.4681E+01 1.2238E+01 1.3413E+01 H1 2183 1.008000 0.423800 1.4691E+01 1.3107E+01 1.3907E+01 H2 2184 1.008000 0.423800 1.4629E+01 1.1483E+01 1.4067E+01 O6 2185 15.999400 -0.847600 -5.7872E+00 -1.2608E+01 -1.6895E+01 H1 2186 1.008000 0.423800 -6.1232E+00 -1.1683E+01 -1.6715E+01 H2 2187 1.008000 0.423800 -4.8915E+00 -1.2726E+01 -1.6466E+01 O6 2188 15.999400 -0.847600 2.9361E+00 8.8652E+00 -1.7074E+00 H1 2189 1.008000 0.423800 3.2536E+00 9.2722E+00 -2.5638E+00 H2 2190 1.008000 0.423800 2.1273E+00 9.3567E+00 -1.3845E+00 O6 2191 15.999400 -0.847600 6.6921E+00 -1.3690E+00 -1.7164E+01 H1 2192 1.008000 0.423800 6.3073E+00 -1.9990E+00 -1.6490E+01 H2 2193 1.008000 0.423800 7.3224E+00 -7.3907E-01 -1.6711E+01 O6 2194 15.999400 -0.847600 -1.5004E+01 1.7214E+01 1.1404E+01 H1 2195 1.008000 0.423800 -1.4928E+01 1.7462E+01 1.2370E+01 H2 2196 1.008000 0.423800 -1.5946E+01 1.7349E+01 1.1099E+01 O6 2197 15.999400 -0.847600 5.3709E+00 8.1882E+00 -1.3075E+01 H1 2198 1.008000 0.423800 6.0010E+00 7.5040E+00 -1.2708E+01 H2 2199 1.008000 0.423800 5.7687E+00 8.6020E+00 -1.3894E+01 O6 2200 15.999400 -0.847600 -1.2069E+01 1.5182E+01 1.3099E+01 H1 2201 1.008000 0.423800 -1.2981E+01 1.5115E+01 1.3503E+01 H2 2202 1.008000 0.423800 -1.1603E+01 1.5990E+01 1.3460E+01 O6 2203 15.999400 -0.847600 1.7994E+01 6.2876E+00 1.2032E+01 H1 2204 1.008000 0.423800 1.7486E+01 7.0454E+00 1.2442E+01 H2 2205 1.008000 0.423800 1.7856E+01 6.2918E+00 1.1042E+01 O6 2206 15.999400 -0.847600 -1.5225E-01 -1.3893E+01 1.0344E+01 H1 2207 1.008000 0.423800 -7.9616E-01 -1.3716E+01 1.1089E+01 H2 2208 1.008000 0.423800 -4.9942E-01 -1.3485E+01 9.5001E+00 O6 2209 15.999400 -0.847600 5.7093E+00 3.7630E+00 1.3651E+01 H1 2210 1.008000 0.423800 5.1246E+00 4.0373E+00 1.4414E+01 H2 2211 1.008000 0.423800 5.1448E+00 3.5941E+00 1.2843E+01 O6 2212 15.999400 -0.847600 1.4505E+01 -1.8993E+01 4.4404E+00 H1 2213 1.008000 0.423800 1.4122E+01 -1.8282E+01 5.0297E+00 H2 2214 1.008000 0.423800 1.4079E+01 -1.8943E+01 3.5372E+00 O6 2215 15.999400 -0.847600 -4.2910E+00 -9.2093E+00 -1.8506E+01 H1 2216 1.008000 0.423800 -4.5946E+00 -8.3736E+00 -1.8048E+01 H2 2217 1.008000 0.423800 -5.0678E+00 -9.6371E+00 -1.8968E+01 O6 2218 15.999400 -0.847600 -1.4838E+01 -8.1887E+00 -1.0742E+01 H1 2219 1.008000 0.423800 -1.4529E+01 -9.1065E+00 -1.0992E+01 H2 2220 1.008000 0.423800 -1.4316E+01 -7.5095E+00 -1.1259E+01 O6 2221 15.999400 -0.847600 -1.7541E+01 8.2269E+00 -3.5945E+00 H1 2222 1.008000 0.423800 -1.7401E+01 7.4950E+00 -4.2614E+00 H2 2223 1.008000 0.423800 -1.6742E+01 8.2914E+00 -2.9973E+00 O6 2224 15.999400 -0.847600 1.3246E+01 -1.1820E+01 -8.1972E+00 H1 2225 1.008000 0.423800 1.2629E+01 -1.1171E+01 -7.7522E+00 H2 2226 1.008000 0.423800 1.3750E+01 -1.1355E+01 -8.9250E+00 O6 2227 15.999400 -0.847600 1.0269E+01 -1.3143E+00 1.3995E+01 H1 2228 1.008000 0.423800 9.8239E+00 -1.9549E+00 1.3369E+01 H2 2229 1.008000 0.423800 1.0635E+01 -5.4195E-01 1.3476E+01 O6 2230 15.999400 -0.847600 -1.2316E+01 1.0540E+01 5.6297E+00 H1 2231 1.008000 0.423800 -1.3299E+01 1.0380E+01 5.5383E+00 H2 2232 1.008000 0.423800 -1.1822E+01 9.6874E+00 5.4589E+00 O6 2233 15.999400 -0.847600 -1.4906E+01 1.2478E+01 6.4114E+00 H1 2234 1.008000 0.423800 -1.5700E+01 1.2984E+01 6.0738E+00 H2 2235 1.008000 0.423800 -1.4985E+01 1.1518E+01 6.1453E+00 O6 2236 15.999400 -0.847600 -8.5300E+00 5.4932E+00 -1.1768E+01 H1 2237 1.008000 0.423800 -9.0173E+00 4.7270E+00 -1.2187E+01 H2 2238 1.008000 0.423800 -7.5453E+00 5.3237E+00 -1.1808E+01 O6 2239 15.999400 -0.847600 -3.2593E+00 -1.3187E+01 -3.0745E+00 H1 2240 1.008000 0.423800 -4.1227E+00 -1.3616E+01 -2.8090E+00 H2 2241 1.008000 0.423800 -3.3613E+00 -1.2192E+01 -3.0543E+00 O6 2242 15.999400 -0.847600 1.1900E+01 3.9647E+00 6.2039E+00 H1 2243 1.008000 0.423800 1.2053E+01 4.9336E+00 6.3986E+00 H2 2244 1.008000 0.423800 1.1624E+01 3.4956E+00 7.0429E+00 O6 2245 15.999400 -0.847600 2.1010E+00 -9.4375E+00 -8.3074E+00 H1 2246 1.008000 0.423800 1.1105E+00 -9.5445E+00 -8.2209E+00 H2 2247 1.008000 0.423800 2.3706E+00 -8.5389E+00 -7.9614E+00 O6 2248 15.999400 -0.847600 1.6916E+01 1.9538E+01 -1.2406E+01 H1 2249 1.008000 0.423800 1.7373E+01 -1.9267E+01 -1.1565E+01 H2 2250 1.008000 0.423800 1.7266E+01 1.8643E+01 -1.2681E+01 O6 2251 15.999400 -0.847600 -8.3109E+00 -8.6547E+00 6.9620E+00 H1 2252 1.008000 0.423800 -9.2819E+00 -8.4779E+00 6.8010E+00 H2 2253 1.008000 0.423800 -8.1025E+00 -9.6051E+00 6.7313E+00 O6 2254 15.999400 -0.847600 -1.8065E+01 4.7847E-01 -1.0344E+00 H1 2255 1.008000 0.423800 -1.8310E+01 -4.9059E-01 -1.0639E+00 H2 2256 1.008000 0.423800 -1.8725E+01 1.0058E+00 -1.5687E+00 O6 2257 15.999400 -0.847600 -1.6273E+01 -1.4923E+01 -8.4925E+00 H1 2258 1.008000 0.423800 -1.6712E+01 -1.5811E+01 -8.3559E+00 H2 2259 1.008000 0.423800 -1.6956E+01 -1.4198E+01 -8.4133E+00 O6 2260 15.999400 -0.847600 -1.2379E+01 1.6588E+00 1.7950E+01 H1 2261 1.008000 0.423800 -1.2544E+01 2.0458E+00 1.8857E+01 H2 2262 1.008000 0.423800 -1.1505E+01 1.1716E+00 1.7949E+01 O6 2263 15.999400 -0.847600 1.5712E+01 1.5752E+01 -1.0700E+01 H1 2264 1.008000 0.423800 1.6638E+01 1.5404E+01 -1.0552E+01 H2 2265 1.008000 0.423800 1.5619E+01 1.6060E+01 -1.1646E+01 O6 2266 15.999400 -0.847600 -9.5039E+00 4.3467E+00 -1.7359E+00 H1 2267 1.008000 0.423800 -9.5371E+00 3.9680E+00 -8.1095E-01 H2 2268 1.008000 0.423800 -9.1029E+00 3.6737E+00 -2.3574E+00 O6 2269 15.999400 -0.847600 5.8052E+00 -1.2573E+01 -1.4119E+01 H1 2270 1.008000 0.423800 5.4087E+00 -1.1843E+01 -1.3562E+01 H2 2271 1.008000 0.423800 5.3503E+00 -1.2597E+01 -1.5009E+01 O6 2272 15.999400 -0.847600 -7.3850E+00 -1.6385E+01 1.2339E+01 H1 2273 1.008000 0.423800 -7.4722E+00 -1.5438E+01 1.2648E+01 H2 2274 1.008000 0.423800 -6.7641E+00 -1.6425E+01 1.1556E+01 O6 2275 15.999400 -0.847600 -1.7268E+01 7.9674E+00 1.6448E+01 H1 2276 1.008000 0.423800 -1.7655E+01 7.2972E+00 1.5815E+01 H2 2277 1.008000 0.423800 -1.7964E+01 8.6460E+00 1.6682E+01 O6 2278 15.999400 -0.847600 -5.1827E+00 1.7976E+01 1.2393E+01 H1 2279 1.008000 0.423800 -4.6120E+00 1.8168E+01 1.1595E+01 H2 2280 1.008000 0.423800 -4.5989E+00 1.7808E+01 1.3187E+01 O6 2281 15.999400 -0.847600 7.7028E+00 -1.2317E+01 1.5391E+01 H1 2282 1.008000 0.423800 6.8120E+00 -1.1864E+01 1.5425E+01 H2 2283 1.008000 0.423800 7.9676E+00 -1.2461E+01 1.4438E+01 O6 2284 15.999400 -0.847600 7.3669E-01 1.2973E+01 -1.2570E+01 H1 2285 1.008000 0.423800 4.1500E-01 1.3734E+01 -1.3133E+01 H2 2286 1.008000 0.423800 1.1978E+00 1.2301E+01 -1.3150E+01 O6 2287 15.999400 -0.847600 9.3762E+00 1.6557E+01 -1.1516E+01 H1 2288 1.008000 0.423800 9.8194E+00 1.7055E+01 -1.0770E+01 H2 2289 1.008000 0.423800 1.0045E+01 1.6370E+01 -1.2235E+01 O6 2290 15.999400 -0.847600 -1.5608E+01 -7.8394E+00 -6.4280E+00 H1 2291 1.008000 0.423800 -1.5342E+01 -7.1314E+00 -5.7738E+00 H2 2292 1.008000 0.423800 -1.5583E+01 -7.4635E+00 -7.3543E+00 O6 2293 15.999400 -0.847600 1.6490E-01 -1.4013E+01 4.7653E+00 H1 2294 1.008000 0.423800 -7.8729E-02 -1.3045E+01 4.7052E+00 H2 2295 1.008000 0.423800 8.2571E-01 -1.4145E+01 5.5042E+00 O6 2296 15.999400 -0.847600 2.1822E+00 -7.7443E+00 -4.0410E+00 H1 2297 1.008000 0.423800 2.7574E+00 -8.5367E+00 -3.8380E+00 H2 2298 1.008000 0.423800 2.5204E+00 -7.2893E+00 -4.8648E+00 O6 2299 15.999400 -0.847600 1.6651E+01 -1.0221E+01 -1.5352E+01 H1 2300 1.008000 0.423800 1.6956E+01 -9.7420E+00 -1.6175E+01 H2 2301 1.008000 0.423800 1.7157E+01 -1.1078E+01 -1.5258E+01 O6 2302 15.999400 -0.847600 -8.3103E+00 -5.1675E-01 1.2662E+01 H1 2303 1.008000 0.423800 -8.3361E+00 -1.2867E-01 1.3583E+01 H2 2304 1.008000 0.423800 -7.4187E+00 -3.3320E-01 1.2248E+01 O6 2305 15.999400 -0.847600 1.3839E+00 -2.5425E+00 -7.6443E+00 H1 2306 1.008000 0.423800 5.1559E-01 -2.1416E+00 -7.3521E+00 H2 2307 1.008000 0.423800 2.1352E+00 -1.9360E+00 -7.3842E+00 O6 2308 15.999400 -0.847600 -6.6069E+00 6.8364E+00 1.9122E+01 H1 2309 1.008000 0.423800 -5.8935E+00 7.2875E+00 1.8586E+01 H2 2310 1.008000 0.423800 -6.7371E+00 7.3277E+00 -1.9114E+01 O6 2311 15.999400 -0.847600 8.1053E+00 -1.6375E+01 -1.0549E+01 H1 2312 1.008000 0.423800 9.0707E+00 -1.6185E+01 -1.0371E+01 H2 2313 1.008000 0.423800 7.8520E+00 -1.6004E+01 -1.1442E+01 O6 2314 15.999400 -0.847600 -3.0194E+00 3.4256E+00 1.8937E+01 H1 2315 1.008000 0.423800 -2.3607E+00 2.6853E+00 1.8802E+01 H2 2316 1.008000 0.423800 -3.9274E+00 3.0385E+00 1.9098E+01 O6 2317 15.999400 -0.847600 -6.0830E+00 -1.0558E+01 1.9117E+01 H1 2318 1.008000 0.423800 -6.9971E+00 -1.0723E+01 1.8747E+01 H2 2319 1.008000 0.423800 -5.7280E+00 -1.1403E+01 1.9517E+01 O6 2320 15.999400 -0.847600 -8.5477E+00 -1.2716E+01 1.5560E+01 H1 2321 1.008000 0.423800 -8.0123E+00 -1.2927E+01 1.4742E+01 H2 2322 1.008000 0.423800 -9.1639E+00 -1.1953E+01 1.5368E+01 O6 2323 15.999400 -0.847600 9.9509E+00 -1.3705E+01 -1.2423E+01 H1 2324 1.008000 0.423800 9.9882E+00 -1.3598E+01 -1.3417E+01 H2 2325 1.008000 0.423800 1.0643E+01 -1.4366E+01 -1.2133E+01 O6 2326 15.999400 -0.847600 1.2014E+01 -8.5654E+00 -4.5029E+00 H1 2327 1.008000 0.423800 1.2937E+01 -8.5381E+00 -4.1195E+00 H2 2328 1.008000 0.423800 1.1583E+01 -7.6694E+00 -4.3972E+00 O6 2329 15.999400 -0.847600 5.3794E+00 1.4014E+01 1.3364E+01 H1 2330 1.008000 0.423800 6.3058E+00 1.3640E+01 1.3315E+01 H2 2331 1.008000 0.423800 5.1086E+00 1.4354E+01 1.2463E+01 O6 2332 15.999400 -0.847600 -1.4032E+01 1.9328E+01 6.4836E+00 H1 2333 1.008000 0.423800 -1.3102E+01 1.8970E+01 6.3984E+00 H2 2334 1.008000 0.423800 -1.4196E+01 -1.9094E+01 5.7644E+00 O6 2335 15.999400 -0.847600 -1.0830E+01 -7.4760E-01 6.4742E+00 H1 2336 1.008000 0.423800 -1.0544E+01 -1.2712E+00 7.2770E+00 H2 2337 1.008000 0.423800 -1.0261E+01 -1.0007E+00 5.6917E+00 O6 2338 15.999400 -0.847600 1.1024E+01 1.4434E+01 -1.8554E+01 H1 2339 1.008000 0.423800 1.1479E+01 1.5309E+01 -1.8390E+01 H2 2340 1.008000 0.423800 1.1353E+01 1.3759E+01 -1.7894E+01 O6 2341 15.999400 -0.847600 -1.0923E+01 -8.2488E+00 6.3423E+00 H1 2342 1.008000 0.423800 -1.1614E+01 -8.6305E+00 5.7284E+00 H2 2343 1.008000 0.423800 -1.0712E+01 -7.3118E+00 6.0645E+00 O6 2344 15.999400 -0.847600 -1.5558E+01 7.8925E+00 -1.6779E+01 H1 2345 1.008000 0.423800 -1.4840E+01 7.9205E+00 -1.7475E+01 H2 2346 1.008000 0.423800 -1.6067E+01 7.0354E+00 -1.6860E+01 O6 2347 15.999400 -0.847600 1.3540E+01 -1.5071E+01 -4.8376E+00 H1 2348 1.008000 0.423800 1.3874E+01 -1.4717E+01 -3.9636E+00 H2 2349 1.008000 0.423800 1.3906E+01 -1.4514E+01 -5.5835E+00 O6 2350 15.999400 -0.847600 -5.2835E+00 -1.6831E+00 -1.9957E+00 H1 2351 1.008000 0.423800 -5.1412E+00 -2.4146E+00 -1.3288E+00 H2 2352 1.008000 0.423800 -5.4277E+00 -8.1786E-01 -1.5157E+00 O6 2353 15.999400 -0.847600 1.9541E+01 2.8796E+00 -1.4546E+01 H1 2354 1.008000 0.423800 -1.9098E+01 2.7725E+00 -1.5428E+01 H2 2355 1.008000 0.423800 1.9073E+01 2.0285E+00 -1.4309E+01 O6 2356 15.999400 -0.847600 -4.8684E+00 -2.2111E+00 -1.6404E+01 H1 2357 1.008000 0.423800 -5.4457E+00 -1.3996E+00 -1.6313E+01 H2 2358 1.008000 0.423800 -3.9325E+00 -1.9318E+00 -1.6619E+01 O6 2359 15.999400 -0.847600 1.7096E+01 1.7592E+01 1.2165E+01 H1 2360 1.008000 0.423800 1.7338E+01 1.6757E+01 1.2658E+01 H2 2361 1.008000 0.423800 1.7854E+01 1.7861E+01 1.1571E+01 O6 2362 15.999400 -0.847600 -1.0246E+01 7.7955E+00 -1.1643E+01 H1 2363 1.008000 0.423800 -9.5003E+00 8.4227E+00 -1.1866E+01 H2 2364 1.008000 0.423800 -9.9014E+00 6.8569E+00 -1.1634E+01 O6 2365 15.999400 -0.847600 1.9122E+01 7.4031E+00 -1.9108E+01 H1 2366 1.008000 0.423800 1.8380E+01 7.3967E+00 1.9319E+01 H2 2367 1.008000 0.423800 1.8925E+01 8.0801E+00 -1.8399E+01 O6 2368 15.999400 -0.847600 -3.8235E+00 -1.8460E+01 -5.2781E+00 H1 2369 1.008000 0.423800 -3.9779E+00 -1.9436E+01 -5.4305E+00 H2 2370 1.008000 0.423800 -3.9331E+00 -1.7966E+01 -6.1410E+00 O6 2371 15.999400 -0.847600 -3.0598E+00 4.2078E+00 1.5896E+01 H1 2372 1.008000 0.423800 -2.8897E+00 4.0321E+00 1.6866E+01 H2 2373 1.008000 0.423800 -4.0251E+00 4.0444E+00 1.5692E+01 O6 2374 15.999400 -0.847600 -1.2796E-01 1.5525E+00 2.4918E+00 H1 2375 1.008000 0.423800 -1.5760E-01 2.5188E+00 2.2361E+00 H2 2376 1.008000 0.423800 -1.7847E-01 9.8804E-01 1.6680E+00 O6 2377 15.999400 -0.847600 -1.2547E+01 1.6703E+01 1.0167E+01 H1 2378 1.008000 0.423800 -1.2012E+01 1.5991E+01 1.0623E+01 H2 2379 1.008000 0.423800 -1.3426E+01 1.6807E+01 1.0632E+01 O6 2380 15.999400 -0.847600 -1.1803E+01 -7.8503E+00 -1.4398E+01 H1 2381 1.008000 0.423800 -1.1418E+01 -6.9965E+00 -1.4748E+01 H2 2382 1.008000 0.423800 -1.2405E+01 -8.2524E+00 -1.5087E+01 O6 2383 15.999400 -0.847600 1.5668E+01 1.2343E+01 3.0746E+00 H1 2384 1.008000 0.423800 1.5158E+01 1.1868E+01 3.7926E+00 H2 2385 1.008000 0.423800 1.6447E+01 1.2822E+01 3.4795E+00 O6 2386 15.999400 -0.847600 3.2641E+00 9.3007E+00 8.2877E+00 H1 2387 1.008000 0.423800 2.4969E+00 9.5014E+00 8.8969E+00 H2 2388 1.008000 0.423800 3.7735E+00 8.5159E+00 8.6407E+00 O6 2389 15.999400 -0.847600 -1.9346E+01 -1.3742E+01 -1.4266E+01 H1 2390 1.008000 0.423800 -1.9192E+01 -1.4228E+01 -1.3406E+01 H2 2391 1.008000 0.423800 1.8775E+01 -1.3551E+01 -1.4371E+01 O6 2392 15.999400 -0.847600 1.4386E+01 2.6276E-01 -6.6208E+00 H1 2393 1.008000 0.423800 1.4931E+01 5.9956E-01 -5.8532E+00 H2 2394 1.008000 0.423800 1.3450E+01 6.0565E-01 -6.5404E+00 O6 2395 15.999400 -0.847600 6.9638E+00 -3.2868E+00 -2.6162E+00 H1 2396 1.008000 0.423800 6.2693E+00 -3.4549E+00 -3.3158E+00 H2 2397 1.008000 0.423800 6.5423E+00 -3.3322E+00 -1.7106E+00 O6 2398 15.999400 -0.847600 -7.7205E+00 2.4789E+00 -3.1807E+00 H1 2399 1.008000 0.423800 -6.9311E+00 2.7533E+00 -2.6316E+00 H2 2400 1.008000 0.423800 -7.4391E+00 2.3606E+00 -4.1330E+00 O6 2401 15.999400 -0.847600 -1.6294E+01 6.4822E+00 -7.3718E+00 H1 2402 1.008000 0.423800 -1.5771E+01 5.9539E+00 -8.0401E+00 H2 2403 1.008000 0.423800 -1.6782E+01 7.2203E+00 -7.8385E+00 O6 2404 15.999400 -0.847600 1.6182E+01 -2.3438E-01 -2.1747E+00 H1 2405 1.008000 0.423800 1.5775E+01 -1.1340E+00 -2.0169E+00 H2 2406 1.008000 0.423800 1.5464E+01 4.1954E-01 -2.4122E+00 O6 2407 15.999400 -0.847600 -1.3117E+01 1.9446E+01 -1.5686E+01 H1 2408 1.008000 0.423800 -1.3176E+01 -1.9061E+01 -1.6491E+01 H2 2409 1.008000 0.423800 -1.3060E+01 -1.9087E+01 -1.4862E+01 O6 2410 15.999400 -0.847600 -1.6530E+01 5.3952E+00 -1.7117E+01 H1 2411 1.008000 0.423800 -1.5818E+01 4.7248E+00 -1.6909E+01 H2 2412 1.008000 0.423800 -1.6672E+01 5.4344E+00 -1.8106E+01 O6 2413 15.999400 -0.847600 -1.5582E+01 1.4745E+01 4.6019E+00 H1 2414 1.008000 0.423800 -1.5120E+01 1.4391E+01 3.7885E+00 H2 2415 1.008000 0.423800 -1.5346E+01 1.5709E+01 4.7262E+00 O6 2416 15.999400 -0.847600 -6.1687E+00 -8.2634E-01 2.2238E+00 H1 2417 1.008000 0.423800 -6.1837E+00 1.0013E-01 2.5999E+00 H2 2418 1.008000 0.423800 -6.0708E+00 -7.8087E-01 1.2296E+00 O6 2419 15.999400 -0.847600 1.5547E+01 -1.0948E+01 8.1083E+00 H1 2420 1.008000 0.423800 1.6407E+01 -1.0454E+01 8.2378E+00 H2 2421 1.008000 0.423800 1.5168E+01 -1.1197E+01 8.9997E+00 O6 2422 15.999400 -0.847600 -1.0078E+01 -9.9255E+00 1.0535E+01 H1 2423 1.008000 0.423800 -9.3359E+00 -1.0339E+01 1.1063E+01 H2 2424 1.008000 0.423800 -1.0225E+01 -1.0452E+01 9.6981E+00 O6 2425 15.999400 -0.847600 -1.2371E+01 5.0648E+00 -7.8954E+00 H1 2426 1.008000 0.423800 -1.1969E+01 4.1694E+00 -7.7038E+00 H2 2427 1.008000 0.423800 -1.2842E+01 5.3999E+00 -7.0796E+00 O6 2428 15.999400 -0.847600 -1.8983E+01 -9.3416E+00 -4.9323E-01 H1 2429 1.008000 0.423800 -1.9316E+01 -8.6697E+00 -1.1548E+00 H2 2430 1.008000 0.423800 -1.8853E+01 -8.8991E+00 3.9395E-01 O6 2431 15.999400 -0.847600 2.4488E+00 7.7513E+00 3.2027E+00 H1 2432 1.008000 0.423800 1.7448E+00 7.7935E+00 2.4938E+00 H2 2433 1.008000 0.423800 2.3275E+00 6.9192E+00 3.7438E+00 O6 2434 15.999400 -0.847600 5.9600E+00 -4.9878E+00 3.3715E+00 H1 2435 1.008000 0.423800 5.5899E+00 -4.1437E+00 2.9835E+00 H2 2436 1.008000 0.423800 6.7815E+00 -5.2541E+00 2.8674E+00 O6 2437 15.999400 -0.847600 -1.5103E+01 -1.3817E+01 1.3943E+01 H1 2438 1.008000 0.423800 -1.5660E+01 -1.3355E+01 1.3253E+01 H2 2439 1.008000 0.423800 -1.4509E+01 -1.3151E+01 1.4394E+01 O6 2440 15.999400 -0.847600 1.4057E+01 -7.8111E+00 1.0456E+01 H1 2441 1.008000 0.423800 1.4285E+01 -7.9685E+00 1.1417E+01 H2 2442 1.008000 0.423800 1.3068E+01 -7.8917E+00 1.0330E+01 O6 2443 15.999400 -0.847600 5.1896E-01 -1.9383E+01 -1.5829E+01 H1 2444 1.008000 0.423800 5.2787E-01 1.9087E+01 -1.5051E+01 H2 2445 1.008000 0.423800 1.3813E+00 -1.8878E+01 -1.5860E+01 O6 2446 15.999400 -0.847600 2.0658E+00 5.1520E+00 9.3303E+00 H1 2447 1.008000 0.423800 1.5031E+00 4.5370E+00 8.7778E+00 H2 2448 1.008000 0.423800 2.0479E+00 4.8530E+00 1.0284E+01 O6 2449 15.999400 -0.847600 -1.8222E+01 -9.0975E+00 -6.4804E+00 H1 2450 1.008000 0.423800 -1.7513E+01 -8.3987E+00 -6.3848E+00 H2 2451 1.008000 0.423800 -1.8781E+01 -8.8970E+00 -7.2847E+00 O6 2452 15.999400 -0.847600 -1.3763E+01 6.2171E+00 -1.8390E+00 H1 2453 1.008000 0.423800 -1.2802E+01 6.2278E+00 -2.1173E+00 H2 2454 1.008000 0.423800 -1.4198E+01 7.0757E+00 -2.1100E+00 O6 2455 15.999400 -0.847600 -6.6882E+00 -5.6451E+00 -6.7493E+00 H1 2456 1.008000 0.423800 -7.5358E+00 -5.5275E+00 -6.2319E+00 H2 2457 1.008000 0.423800 -6.0950E+00 -6.2949E+00 -6.2740E+00 O6 2458 15.999400 -0.847600 -5.2908E+00 -1.3309E+01 1.6558E+00 H1 2459 1.008000 0.423800 -4.9502E+00 -1.3424E+01 2.5890E+00 H2 2460 1.008000 0.423800 -5.3935E+00 -1.4206E+01 1.2260E+00 O6 2461 15.999400 -0.847600 -1.4105E+01 9.7616E+00 -4.6064E+00 H1 2462 1.008000 0.423800 -1.4848E+01 9.7548E+00 -5.2762E+00 H2 2463 1.008000 0.423800 -1.3228E+01 9.6821E+00 -5.0802E+00 O6 2464 15.999400 -0.847600 -1.2073E+01 6.2833E+00 -1.5680E+01 H1 2465 1.008000 0.423800 -1.2435E+01 6.1305E+00 -1.6599E+01 H2 2466 1.008000 0.423800 -1.2293E+01 7.2132E+00 -1.5385E+01 O6 2467 15.999400 -0.847600 -1.6934E+01 1.4406E+01 -1.6584E+01 H1 2468 1.008000 0.423800 -1.6543E+01 1.4984E+01 -1.5868E+01 H2 2469 1.008000 0.423800 -1.7579E+01 1.4942E+01 -1.7130E+01 O6 2470 15.999400 -0.847600 1.0506E+01 1.0230E+00 -7.8616E+00 H1 2471 1.008000 0.423800 1.0596E+01 4.1499E-02 -8.0307E+00 H2 2472 1.008000 0.423800 1.1061E+01 1.2768E+00 -7.0692E+00 O6 2473 15.999400 -0.847600 1.7248E-01 9.8738E+00 1.9589E+00 H1 2474 1.008000 0.423800 7.1879E-01 1.0539E+01 1.4497E+00 H2 2475 1.008000 0.423800 -2.7519E-01 9.2500E+00 1.3183E+00 O6 2476 15.999400 -0.847600 -9.1011E+00 6.1390E-01 -8.6531E+00 H1 2477 1.008000 0.423800 -8.8561E+00 1.5394E+00 -8.3643E+00 H2 2478 1.008000 0.423800 -9.4710E+00 1.0847E-01 -7.8735E+00 O6 2479 15.999400 -0.847600 6.7046E+00 -1.9412E+01 1.1418E+01 H1 2480 1.008000 0.423800 6.5047E+00 1.9036E+01 1.2151E+01 H2 2481 1.008000 0.423800 6.7506E+00 1.9200E+01 1.0545E+01 O6 2482 15.999400 -0.847600 -1.3462E+01 9.4098E+00 -1.8417E+01 H1 2483 1.008000 0.423800 -1.3102E+01 8.8135E+00 -1.9134E+01 H2 2484 1.008000 0.423800 -1.2853E+01 1.0194E+01 -1.8298E+01 O6 2485 15.999400 -0.847600 1.5195E+01 6.2800E+00 -1.8992E+01 H1 2486 1.008000 0.423800 1.4816E+01 5.3608E+00 -1.9099E+01 H2 2487 1.008000 0.423800 1.5925E+01 6.4191E+00 1.9437E+01 O6 2488 15.999400 -0.847600 -8.9887E+00 -4.1842E+00 1.7606E+00 H1 2489 1.008000 0.423800 -8.0432E+00 -4.0133E+00 2.0377E+00 H2 2490 1.008000 0.423800 -9.3598E+00 -4.9448E+00 2.2934E+00 O6 2491 15.999400 -0.847600 -1.1067E+01 5.9214E+00 -3.5828E+00 H1 2492 1.008000 0.423800 -1.0380E+01 5.4147E+00 -3.0628E+00 H2 2493 1.008000 0.423800 -1.1055E+01 6.8817E+00 -3.3040E+00 O6 2494 15.999400 -0.847600 9.1130E+00 -1.8219E+01 -5.1098E+00 H1 2495 1.008000 0.423800 8.3723E+00 -1.7807E+01 -4.5795E+00 H2 2496 1.008000 0.423800 9.9833E+00 -1.7803E+01 -4.8461E+00 O6 2497 15.999400 -0.847600 -1.7404E+01 -1.4172E+01 9.8892E+00 H1 2498 1.008000 0.423800 -1.7981E+01 -1.4802E+01 9.3691E+00 H2 2499 1.008000 0.423800 -1.7839E+01 -1.3272E+01 9.9230E+00 O6 2500 15.999400 -0.847600 -2.1733E+00 6.0897E+00 9.9191E+00 H1 2501 1.008000 0.423800 -2.2165E+00 5.1185E+00 1.0153E+01 H2 2502 1.008000 0.423800 -3.1008E+00 6.4518E+00 9.8267E+00 O6 2503 15.999400 -0.847600 1.9255E+01 -3.5926E-01 -1.7054E+01 H1 2504 1.008000 0.423800 1.9170E+01 -1.3099E+00 -1.7352E+01 H2 2505 1.008000 0.423800 1.8345E+01 2.9732E-02 -1.6914E+01 O6 2506 15.999400 -0.847600 -8.3356E+00 6.8597E-01 1.4979E+01 H1 2507 1.008000 0.423800 -8.6092E+00 1.6299E+00 1.4794E+01 H2 2508 1.008000 0.423800 -7.4696E+00 6.8195E-01 1.5479E+01 O6 2509 15.999400 -0.847600 -1.4339E+01 -1.1215E+01 1.9433E+01 H1 2510 1.008000 0.423800 -1.4354E+01 -1.1911E+01 1.8716E+01 H2 2511 1.008000 0.423800 -1.3859E+01 -1.1572E+01 -1.8863E+01 O6 2512 15.999400 -0.847600 -5.7459E+00 -9.5782E+00 3.0722E+00 H1 2513 1.008000 0.423800 -5.0239E+00 -9.7992E+00 2.4166E+00 H2 2514 1.008000 0.423800 -5.8072E+00 -8.5858E+00 3.1785E+00 O6 2515 15.999400 -0.847600 -6.6547E+00 -1.0724E+01 -5.7915E+00 H1 2516 1.008000 0.423800 -6.8715E+00 -1.1649E+01 -5.4806E+00 H2 2517 1.008000 0.423800 -5.8787E+00 -1.0757E+01 -6.4213E+00 O6 2518 15.999400 -0.847600 1.5580E+01 -1.2249E+01 -1.2976E+01 H1 2519 1.008000 0.423800 1.4890E+01 -1.1534E+01 -1.2860E+01 H2 2520 1.008000 0.423800 1.5170E+01 -1.3141E+01 -1.2787E+01 O6 2521 15.999400 -0.847600 -1.0714E+01 -1.6295E+01 1.7758E+01 H1 2522 1.008000 0.423800 -1.0146E+01 -1.5967E+01 1.8512E+01 H2 2523 1.008000 0.423800 -1.1129E+01 -1.5515E+01 1.7290E+01 O6 2524 15.999400 -0.847600 -1.2792E+01 -1.5182E+00 -1.0392E+01 H1 2525 1.008000 0.423800 -1.2591E+01 -2.3070E+00 -1.0973E+01 H2 2526 1.008000 0.423800 -1.2309E+01 -1.6133E+00 -9.5217E+00 O6 2527 15.999400 -0.847600 -1.6027E+01 1.3531E+00 -1.3342E+01 H1 2528 1.008000 0.423800 -1.6589E+01 6.3761E-01 -1.3756E+01 H2 2529 1.008000 0.423800 -1.6145E+01 2.2062E+00 -1.3850E+01 O6 2530 15.999400 -0.847600 1.2248E+01 -7.4548E+00 9.4718E-02 H1 2531 1.008000 0.423800 1.1443E+01 -7.6366E+00 6.5854E-01 H2 2532 1.008000 0.423800 1.2621E+01 -8.3193E+00 -2.4174E-01 O6 2533 15.999400 -0.847600 -2.4065E+00 -1.5015E+01 1.4276E+01 H1 2534 1.008000 0.423800 -2.1403E+00 -1.4111E+01 1.4610E+01 H2 2535 1.008000 0.423800 -2.7530E+00 -1.5563E+01 1.5037E+01 O6 2536 15.999400 -0.847600 2.3074E+00 -2.5797E+00 1.8926E+01 H1 2537 1.008000 0.423800 2.4151E+00 -2.8947E+00 -1.9229E+01 H2 2538 1.008000 0.423800 2.8525E+00 -3.1566E+00 1.8317E+01 O6 2539 15.999400 -0.847600 1.0331E+01 1.0084E+01 8.2820E+00 H1 2540 1.008000 0.423800 1.1131E+01 1.0628E+01 8.5356E+00 H2 2541 1.008000 0.423800 1.0386E+01 9.8422E+00 7.3132E+00 O6 2542 15.999400 -0.847600 9.7545E+00 2.3144E+00 2.3148E+00 H1 2543 1.008000 0.423800 1.0531E+01 1.6837E+00 2.3143E+00 H2 2544 1.008000 0.423800 9.4923E+00 2.5194E+00 3.2577E+00 O6 2545 15.999400 -0.847600 7.6542E+00 -5.2457E+00 -1.4535E+01 H1 2546 1.008000 0.423800 7.3142E+00 -5.8991E+00 -1.3859E+01 H2 2547 1.008000 0.423800 7.0720E+00 -4.4327E+00 -1.4535E+01 O6 2548 15.999400 -0.847600 -1.8978E+00 1.7842E+01 -8.6887E+00 H1 2549 1.008000 0.423800 -2.7262E+00 1.8091E+01 -9.1907E+00 H2 2550 1.008000 0.423800 -1.3382E+00 1.7233E+01 -9.2502E+00 O6 2551 15.999400 -0.847600 1.1134E+01 -9.0136E+00 2.9125E+00 H1 2552 1.008000 0.423800 1.0348E+01 -9.2646E+00 2.3478E+00 H2 2553 1.008000 0.423800 1.1855E+01 -9.6980E+00 2.8032E+00 O6 2554 15.999400 -0.847600 3.9152E+00 -3.2530E+00 6.7135E+00 H1 2555 1.008000 0.423800 4.3792E+00 -2.3850E+00 6.5363E+00 H2 2556 1.008000 0.423800 2.9287E+00 -3.0985E+00 6.7679E+00 O6 2557 15.999400 -0.847600 -1.6621E+01 -1.5200E+01 1.5692E+01 H1 2558 1.008000 0.423800 -1.6154E+01 -1.5924E+01 1.6200E+01 H2 2559 1.008000 0.423800 -1.6016E+01 -1.4853E+01 1.4975E+01 O6 2560 15.999400 -0.847600 6.8819E+00 1.5811E+01 -4.4890E+00 H1 2561 1.008000 0.423800 7.0088E+00 1.5238E+01 -3.6790E+00 H2 2562 1.008000 0.423800 7.0814E+00 1.6763E+01 -4.2583E+00 O6 2563 15.999400 -0.847600 -8.9400E+00 1.6952E+01 1.1259E+01 H1 2564 1.008000 0.423800 -9.3307E+00 1.6037E+01 1.1165E+01 H2 2565 1.008000 0.423800 -9.5311E+00 1.7509E+01 1.1843E+01 O6 2566 15.999400 -0.847600 1.7411E+01 -1.1734E+01 5.2200E+00 H1 2567 1.008000 0.423800 1.6786E+01 -1.2367E+01 4.7645E+00 H2 2568 1.008000 0.423800 1.7370E+01 -1.1878E+01 6.2087E+00 O6 2569 15.999400 -0.847600 2.2368E+00 6.7922E+00 -1.4747E+01 H1 2570 1.008000 0.423800 3.0407E+00 7.3201E+00 -1.5021E+01 H2 2571 1.008000 0.423800 2.3039E+00 6.5631E+00 -1.3776E+01 O6 2572 15.999400 -0.847600 -1.2689E+01 -1.3117E+01 7.5570E+00 H1 2573 1.008000 0.423800 -1.3410E+01 -1.3190E+01 6.8678E+00 H2 2574 1.008000 0.423800 -1.2559E+01 -1.4005E+01 7.9981E+00 O6 2575 15.999400 -0.847600 1.2457E+01 1.1465E+00 2.1596E+00 H1 2576 1.008000 0.423800 1.2779E+01 2.0677E+00 2.3778E+00 H2 2577 1.008000 0.423800 1.3204E+01 4.9379E-01 2.2847E+00 O6 2578 15.999400 -0.847600 -8.8901E+00 1.3546E+01 1.3659E+01 H1 2579 1.008000 0.423800 -8.1281E+00 1.3270E+01 1.4245E+01 H2 2580 1.008000 0.423800 -9.5894E+00 1.3998E+01 1.4213E+01 O6 2581 15.999400 -0.847600 1.4072E+01 7.6631E+00 1.2952E+01 H1 2582 1.008000 0.423800 1.3433E+01 7.8500E+00 1.2206E+01 H2 2583 1.008000 0.423800 1.3591E+01 7.7279E+00 1.3827E+01 O6 2584 15.999400 -0.847600 -1.8303E+01 2.1382E+00 -1.7335E+01 H1 2585 1.008000 0.423800 -1.8779E+01 1.2630E+00 -1.7418E+01 H2 2586 1.008000 0.423800 -1.8444E+01 2.6752E+00 -1.8166E+01 O6 2587 15.999400 -0.847600 6.4580E+00 -3.7897E+00 3.8448E-01 H1 2588 1.008000 0.423800 6.1857E+00 -3.0861E+00 1.0409E+00 H2 2589 1.008000 0.423800 7.4560E+00 -3.8418E+00 3.4669E-01 O6 2590 15.999400 -0.847600 3.1169E+00 1.0665E+01 -1.0291E+01 H1 2591 1.008000 0.423800 2.4265E+00 1.0253E+01 -1.0885E+01 H2 2592 1.008000 0.423800 3.8968E+00 1.0045E+01 -1.0206E+01 O6 2593 15.999400 -0.847600 -3.7884E+00 7.5359E+00 1.7406E+01 H1 2594 1.008000 0.423800 -2.8615E+00 7.4588E+00 1.7773E+01 H2 2595 1.008000 0.423800 -3.8732E+00 8.3895E+00 1.6892E+01 O6 2596 15.999400 -0.847600 -5.8720E+00 5.3341E+00 6.5968E+00 H1 2597 1.008000 0.423800 -5.8233E+00 4.3358E+00 6.6298E+00 H2 2598 1.008000 0.423800 -6.8287E+00 5.6193E+00 6.5379E+00 O6 2599 15.999400 -0.847600 -1.2713E+01 1.3518E+01 -5.4966E+00 H1 2600 1.008000 0.423800 -1.3625E+01 1.3341E+01 -5.1286E+00 H2 2601 1.008000 0.423800 -1.2785E+01 1.4114E+01 -6.2962E+00 O6 2602 15.999400 -0.847600 -6.6185E+00 -1.6303E+01 1.9347E+01 H1 2603 1.008000 0.423800 -5.7312E+00 -1.6514E+01 -1.9340E+01 H2 2604 1.008000 0.423800 -6.5086E+00 -1.5574E+01 1.8672E+01 O6 2605 15.999400 -0.847600 1.8474E+01 1.1321E+01 -1.9396E+01 H1 2606 1.008000 0.423800 1.8566E+01 1.0705E+01 -1.8614E+01 H2 2607 1.008000 0.423800 1.8778E+01 1.2237E+01 -1.9136E+01 O6 2608 15.999400 -0.847600 1.9294E+01 4.2073E+00 1.3632E+01 H1 2609 1.008000 0.423800 1.8515E+01 3.7325E+00 1.4042E+01 H2 2610 1.008000 0.423800 1.8963E+01 4.8886E+00 1.2979E+01 O6 2611 15.999400 -0.847600 -5.2815E-01 7.0637E+00 -9.2803E+00 H1 2612 1.008000 0.423800 -5.5677E-01 7.5200E+00 -1.0170E+01 H2 2613 1.008000 0.423800 -1.4089E+00 7.1753E+00 -8.8200E+00 O6 2614 15.999400 -0.847600 5.5992E+00 -1.7926E+01 -1.2221E+01 H1 2615 1.008000 0.423800 5.8132E+00 -1.6999E+01 -1.2530E+01 H2 2616 1.008000 0.423800 6.4482E+00 -1.8438E+01 -1.2089E+01 O6 2617 15.999400 -0.847600 -1.7421E+00 1.1099E+01 -3.2032E+00 H1 2618 1.008000 0.423800 -9.9528E-01 1.1403E+01 -2.6118E+00 H2 2619 1.008000 0.423800 -1.9901E+00 1.0159E+01 -2.9698E+00 O6 2620 15.999400 -0.847600 1.1302E+01 1.4099E+01 2.3651E+00 H1 2621 1.008000 0.423800 1.0451E+01 1.4186E+01 1.8472E+00 H2 2622 1.008000 0.423800 1.1350E+01 1.4824E+01 3.0515E+00 O6 2623 15.999400 -0.847600 1.9366E+00 1.6666E+01 1.9665E+00 H1 2624 1.008000 0.423800 2.7282E+00 1.7076E+01 1.5137E+00 H2 2625 1.008000 0.423800 2.2421E+00 1.6141E+01 2.7612E+00 O6 2626 15.999400 -0.847600 1.0123E+01 1.2189E+01 -1.0902E+01 H1 2627 1.008000 0.423800 9.2076E+00 1.1881E+01 -1.1161E+01 H2 2628 1.008000 0.423800 1.0727E+01 1.2148E+01 -1.1698E+01 O6 2629 15.999400 -0.847600 -1.3902E+01 -6.6384E+00 -1.3058E+01 H1 2630 1.008000 0.423800 -1.4864E+01 -6.8825E+00 -1.3184E+01 H2 2631 1.008000 0.423800 -1.3335E+01 -7.1894E+00 -1.3671E+01 O6 2632 15.999400 -0.847600 -2.2774E+00 -2.7387E+00 1.0689E+01 H1 2633 1.008000 0.423800 -3.0894E+00 -2.9634E+00 1.1227E+01 H2 2634 1.008000 0.423800 -2.3806E+00 -3.1026E+00 9.7630E+00 O6 2635 15.999400 -0.847600 1.6149E+01 1.4657E+01 9.5053E+00 H1 2636 1.008000 0.423800 1.5735E+01 1.5465E+01 9.9243E+00 H2 2637 1.008000 0.423800 1.6913E+01 1.4343E+01 1.0070E+01 O6 2638 15.999400 -0.847600 -1.2799E+01 -1.8053E+01 -1.3555E+01 H1 2639 1.008000 0.423800 -1.2094E+01 -1.8307E+01 -1.2893E+01 H2 2640 1.008000 0.423800 -1.2783E+01 -1.7063E+01 -1.3696E+01 O6 2641 15.999400 -0.847600 1.3804E+01 9.5549E+00 -3.4504E+00 H1 2642 1.008000 0.423800 1.3967E+01 8.6267E+00 -3.7851E+00 H2 2643 1.008000 0.423800 1.4073E+01 9.6143E+00 -2.4889E+00 O6 2644 15.999400 -0.847600 -2.4817E-01 -8.0744E+00 -5.4904E+00 H1 2645 1.008000 0.423800 5.8214E-01 -7.9558E+00 -4.9459E+00 H2 2646 1.008000 0.423800 -5.8386E-01 -9.0106E+00 -5.3867E+00 O6 2647 15.999400 -0.847600 -1.7524E+01 1.7705E+01 -1.3285E+01 H1 2648 1.008000 0.423800 -1.8107E+01 1.7966E+01 -1.2516E+01 H2 2649 1.008000 0.423800 -1.6661E+01 1.8208E+01 -1.3235E+01 O6 2650 15.999400 -0.847600 -1.7968E+00 1.3870E+01 8.7856E+00 H1 2651 1.008000 0.423800 -2.6150E+00 1.4280E+01 8.3820E+00 H2 2652 1.008000 0.423800 -1.3052E+00 1.4561E+01 9.3158E+00 O6 2653 15.999400 -0.847600 -7.5125E+00 -8.2347E+00 -1.9297E+01 H1 2654 1.008000 0.423800 -7.3746E+00 -9.2106E+00 -1.9127E+01 H2 2655 1.008000 0.423800 -6.7595E+00 -7.8834E+00 1.9245E+01 O6 2656 15.999400 -0.847600 -1.1815E+01 5.7044E+00 1.3417E+01 H1 2657 1.008000 0.423800 -1.1822E+01 4.8304E+00 1.2932E+01 H2 2658 1.008000 0.423800 -1.1658E+01 6.4466E+00 1.2766E+01 O6 2659 15.999400 -0.847600 -1.8933E+01 1.1893E+01 -1.6002E+01 H1 2660 1.008000 0.423800 -1.8718E+01 1.2598E+01 -1.5326E+01 H2 2661 1.008000 0.423800 -1.8293E+01 1.1131E+01 -1.5904E+01 O6 2662 15.999400 -0.847600 -1.8558E+01 9.7904E+00 1.4335E+01 H1 2663 1.008000 0.423800 -1.9491E+01 9.6828E+00 1.4679E+01 H2 2664 1.008000 0.423800 -1.8377E+01 9.0961E+00 1.3638E+01 O6 2665 15.999400 -0.847600 -4.4446E+00 1.0058E+01 -1.0632E+01 H1 2666 1.008000 0.423800 -4.8845E+00 9.3441E+00 -1.1177E+01 H2 2667 1.008000 0.423800 -5.0455E+00 1.0317E+01 -9.8759E+00 O6 2668 15.999400 -0.847600 -9.7125E+00 1.4770E+01 -1.3202E+01 H1 2669 1.008000 0.423800 -1.0285E+01 1.5060E+01 -1.3968E+01 H2 2670 1.008000 0.423800 -9.8391E+00 1.3791E+01 -1.3044E+01 O6 2671 15.999400 -0.847600 -1.8060E+01 5.5176E+00 1.5108E+01 H1 2672 1.008000 0.423800 -1.8826E+01 5.0005E+00 1.4725E+01 H2 2673 1.008000 0.423800 -1.7332E+01 5.5878E+00 1.4426E+01 O6 2674 15.999400 -0.847600 -1.4386E+01 -1.4622E+01 -6.6955E+00 H1 2675 1.008000 0.423800 -1.5135E+01 -1.4687E+01 -7.3542E+00 H2 2676 1.008000 0.423800 -1.4325E+01 -1.5474E+01 -6.1752E+00 O6 2677 15.999400 -0.847600 1.5367E+01 -4.5399E+00 1.6708E+01 H1 2678 1.008000 0.423800 1.4741E+01 -4.1755E+00 1.6019E+01 H2 2679 1.008000 0.423800 1.5547E+01 -5.5051E+00 1.6518E+01 O6 2680 15.999400 -0.847600 -1.5282E+01 -3.0061E-01 5.1304E+00 H1 2681 1.008000 0.423800 -1.4697E+01 -7.6684E-01 5.7937E+00 H2 2682 1.008000 0.423800 -1.6222E+01 -2.8407E-01 5.4697E+00 O6 2683 15.999400 -0.847600 5.2156E+00 4.6893E+00 -1.3198E+01 H1 2684 1.008000 0.423800 5.9450E+00 5.2552E+00 -1.2814E+01 H2 2685 1.008000 0.423800 4.8979E+00 5.0926E+00 -1.4057E+01 O6 2686 15.999400 -0.847600 -7.4503E+00 1.6416E+01 -8.6377E+00 H1 2687 1.008000 0.423800 -6.5490E+00 1.5988E+01 -8.5758E+00 H2 2688 1.008000 0.423800 -7.5425E+00 1.7104E+01 -7.9176E+00 O6 2689 15.999400 -0.847600 -1.9523E+01 7.0594E+00 1.6822E+00 H1 2690 1.008000 0.423800 1.8971E+01 7.5853E+00 1.0829E+00 H2 2691 1.008000 0.423800 -1.9547E+01 6.0957E+00 1.4165E+00 O6 2692 15.999400 -0.847600 1.5179E+01 -1.0503E+01 2.1809E+00 H1 2693 1.008000 0.423800 1.6046E+01 -1.0994E+01 2.0950E+00 H2 2694 1.008000 0.423800 1.5245E+01 -9.8366E+00 2.9237E+00 O6 2695 15.999400 -0.847600 2.6037E+00 -1.3669E+01 2.7106E+00 H1 2696 1.008000 0.423800 3.5658E+00 -1.3407E+01 2.6329E+00 H2 2697 1.008000 0.423800 2.2951E+00 -1.3528E+01 3.6513E+00 O6 2698 15.999400 -0.847600 -1.4202E-01 1.3266E+00 -1.5892E+01 H1 2699 1.008000 0.423800 -3.4616E-02 2.3094E+00 -1.5741E+01 H2 2700 1.008000 0.423800 -7.7029E-01 9.5169E-01 -1.5210E+01 O6 2701 15.999400 -0.847600 7.2805E+00 9.5217E+00 -8.9859E+00 H1 2702 1.008000 0.423800 6.4020E+00 9.3727E+00 -9.4398E+00 H2 2703 1.008000 0.423800 8.0237E+00 9.3188E+00 -9.6234E+00 O6 2704 15.999400 -0.847600 1.4951E+01 -1.3342E+01 -1.7478E+00 H1 2705 1.008000 0.423800 1.5206E+01 -1.2383E+01 -1.6246E+00 H2 2706 1.008000 0.423800 1.5628E+01 -1.3795E+01 -2.3284E+00 O6 2707 15.999400 -0.847600 -7.7454E+00 8.6298E+00 -1.3894E+01 H1 2708 1.008000 0.423800 -8.6068E+00 8.8228E+00 -1.4364E+01 H2 2709 1.008000 0.423800 -7.0184E+00 8.5042E+00 -1.4569E+01 O6 2710 15.999400 -0.847600 3.0431E+00 -1.8412E+01 -1.6008E+01 H1 2711 1.008000 0.423800 3.8379E+00 -1.8086E+01 -1.6519E+01 H2 2712 1.008000 0.423800 3.2758E+00 -1.8479E+01 -1.5038E+01 O6 2713 15.999400 -0.847600 -9.4832E+00 1.2250E+01 -9.0493E+00 H1 2714 1.008000 0.423800 -9.2285E+00 1.3045E+01 -9.6005E+00 H2 2715 1.008000 0.423800 -9.4068E+00 1.1421E+01 -9.6039E+00 O6 2716 15.999400 -0.847600 1.7565E+01 1.0788E+01 -8.3825E+00 H1 2717 1.008000 0.423800 1.8562E+01 1.0781E+01 -8.2949E+00 H2 2718 1.008000 0.423800 1.7237E+01 9.8544E+00 -8.5287E+00 O6 2719 15.999400 -0.847600 -8.9671E+00 2.5953E-01 -4.3543E+00 H1 2720 1.008000 0.423800 -8.3623E+00 9.9007E-01 -4.0372E+00 H2 2721 1.008000 0.423800 -9.6341E+00 4.5788E-02 -3.6407E+00 O6 2722 15.999400 -0.847600 1.6397E+01 -7.1235E+00 -1.1559E+01 H1 2723 1.008000 0.423800 1.6827E+01 -6.3783E+00 -1.2068E+01 H2 2724 1.008000 0.423800 1.6849E+01 -7.9862E+00 -1.1784E+01 O6 2725 15.999400 -0.847600 1.6571E+01 3.8400E+00 -1.3507E+01 H1 2726 1.008000 0.423800 1.5771E+01 4.4143E+00 -1.3334E+01 H2 2727 1.008000 0.423800 1.6921E+01 4.0237E+00 -1.4426E+01 O6 2728 15.999400 -0.847600 -1.2280E+01 9.3506E-01 1.4834E+00 H1 2729 1.008000 0.423800 -1.2991E+01 4.4070E-01 1.9836E+00 H2 2730 1.008000 0.423800 -1.1434E+01 4.0216E-01 1.4931E+00 O6 2731 15.999400 -0.847600 1.9121E+00 -1.3130E+01 -1.0784E+01 H1 2732 1.008000 0.423800 1.5622E+00 -1.3682E+01 -1.0027E+01 H2 2733 1.008000 0.423800 2.1373E+00 -1.3726E+01 -1.1555E+01 O6 2734 15.999400 -0.847600 5.1685E+00 -6.5174E+00 -6.0486E+00 H1 2735 1.008000 0.423800 6.0070E+00 -6.0990E+00 -6.3976E+00 H2 2736 1.008000 0.423800 5.2602E+00 -7.5130E+00 -6.0671E+00 O6 2737 15.999400 -0.847600 -1.2194E+01 -3.7642E+00 -1.1769E+01 H1 2738 1.008000 0.423800 -1.1357E+01 -4.2718E+00 -1.1567E+01 H2 2739 1.008000 0.423800 -1.2519E+01 -4.0077E+00 -1.2683E+01 O6 2740 15.999400 -0.847600 5.2823E+00 -1.6343E+01 5.6418E+00 H1 2741 1.008000 0.423800 4.3384E+00 -1.6477E+01 5.9437E+00 H2 2742 1.008000 0.423800 5.2898E+00 -1.6084E+01 4.6758E+00 O6 2743 15.999400 -0.847600 -1.7448E+01 1.1580E+01 1.6971E+01 H1 2744 1.008000 0.423800 -1.8283E+01 1.1265E+01 1.7423E+01 H2 2745 1.008000 0.423800 -1.7275E+01 1.1019E+01 1.6162E+01 O6 2746 15.999400 -0.847600 -8.2013E-02 1.8212E+01 -6.5838E+00 H1 2747 1.008000 0.423800 -8.6787E-01 1.8087E+01 -7.1894E+00 H2 2748 1.008000 0.423800 6.3283E-01 1.8719E+01 -7.0657E+00 O6 2749 15.999400 -0.847600 -4.9475E+00 1.8544E+01 5.4950E+00 H1 2750 1.008000 0.423800 -4.0082E+00 1.8841E+01 5.3228E+00 H2 2751 1.008000 0.423800 -5.0021E+00 1.8118E+01 6.3979E+00 O6 2752 15.999400 -0.847600 2.8621E+00 7.9332E+00 1.8474E+01 H1 2753 1.008000 0.423800 3.0862E+00 8.5199E+00 1.7696E+01 H2 2754 1.008000 0.423800 2.6060E+00 8.5008E+00 1.9256E+01 O6 2755 15.999400 -0.847600 6.9499E+00 -1.9298E+00 -6.8999E+00 H1 2756 1.008000 0.423800 5.9901E+00 -2.1012E+00 -6.6777E+00 H2 2757 1.008000 0.423800 7.2722E+00 -1.1313E+00 -6.3915E+00 O6 2758 15.999400 -0.847600 -7.7819E+00 -8.2050E+00 1.9084E-01 H1 2759 1.008000 0.423800 -8.2267E+00 -8.4907E+00 1.0397E+00 H2 2760 1.008000 0.423800 -7.7807E+00 -8.9664E+00 -4.5743E-01 O6 2761 15.999400 -0.847600 1.4768E+01 -4.8891E+00 3.5330E+00 H1 2762 1.008000 0.423800 1.3998E+01 -5.4933E+00 3.7383E+00 H2 2763 1.008000 0.423800 1.5557E+01 -5.1556E+00 4.0861E+00 O6 2764 15.999400 -0.847600 -1.8010E+01 -1.7638E+01 1.5926E+01 H1 2765 1.008000 0.423800 -1.7720E+01 -1.7894E+01 1.5004E+01 H2 2766 1.008000 0.423800 -1.7220E+01 -1.7649E+01 1.6539E+01 O6 2767 15.999400 -0.847600 -1.8844E+00 6.5232E+00 -1.3101E+01 H1 2768 1.008000 0.423800 -2.8501E+00 6.2637E+00 -1.3094E+01 H2 2769 1.008000 0.423800 -1.3188E+00 5.7052E+00 -1.2996E+01 O6 2770 15.999400 -0.847600 2.5068E+00 3.2053E+00 5.4567E+00 H1 2771 1.008000 0.423800 2.2091E+00 3.1569E+00 6.4102E+00 H2 2772 1.008000 0.423800 2.6488E+00 2.2802E+00 5.1046E+00 O6 2773 15.999400 -0.847600 -5.2965E+00 1.3494E+01 1.3023E+01 H1 2774 1.008000 0.423800 -5.5351E+00 1.4415E+01 1.2715E+01 H2 2775 1.008000 0.423800 -5.7576E+00 1.3304E+01 1.3890E+01 O6 2776 15.999400 -0.847600 1.5217E+01 -2.6199E+00 -1.4871E+00 H1 2777 1.008000 0.423800 1.6084E+01 -2.7321E+00 -1.0003E+00 H2 2778 1.008000 0.423800 1.4691E+01 -3.4682E+00 -1.4305E+00 O6 2779 15.999400 -0.847600 5.9144E+00 -1.0068E+01 1.5133E+01 H1 2780 1.008000 0.423800 6.5236E+00 -1.0194E+01 1.4350E+01 H2 2781 1.008000 0.423800 5.3456E+00 -9.2585E+00 1.4985E+01 O6 2782 15.999400 -0.847600 1.5610E+01 -1.6575E+01 1.3526E+01 H1 2783 1.008000 0.423800 1.5612E+01 -1.5996E+01 1.2710E+01 H2 2784 1.008000 0.423800 1.6545E+01 -1.6867E+01 1.3730E+01 O6 2785 15.999400 -0.847600 5.3308E+00 9.9732E+00 1.2803E+01 H1 2786 1.008000 0.423800 5.4354E+00 1.0271E+01 1.1854E+01 H2 2787 1.008000 0.423800 4.6641E+00 1.0558E+01 1.3264E+01 O6 2788 15.999400 -0.847600 1.0043E+01 4.5373E+00 8.6501E-01 H1 2789 1.008000 0.423800 9.9656E+00 3.7155E+00 1.4294E+00 H2 2790 1.008000 0.423800 1.0538E+01 5.2437E+00 1.3711E+00 O6 2791 15.999400 -0.847600 -1.2318E+01 1.6276E+01 -3.1603E+00 H1 2792 1.008000 0.423800 -1.2031E+01 1.7141E+01 -2.7486E+00 H2 2793 1.008000 0.423800 -1.1538E+01 1.5849E+01 -3.6171E+00 O6 2794 15.999400 -0.847600 8.4943E+00 -9.6432E-01 1.6211E+01 H1 2795 1.008000 0.423800 7.6979E+00 -1.1032E+00 1.5622E+01 H2 2796 1.008000 0.423800 9.3298E+00 -1.0731E+00 1.5672E+01 O6 2797 15.999400 -0.847600 -4.9518E+00 9.4763E+00 -4.7369E+00 H1 2798 1.008000 0.423800 -5.7128E+00 9.3482E+00 -4.1008E+00 H2 2799 1.008000 0.423800 -4.3958E+00 1.0252E+01 -4.4394E+00 O6 2800 15.999400 -0.847600 -6.9880E+00 -6.4656E+00 -1.6111E+01 H1 2801 1.008000 0.423800 -7.1890E+00 -5.6864E+00 -1.6705E+01 H2 2802 1.008000 0.423800 -7.5158E+00 -6.3854E+00 -1.5265E+01 O6 2803 15.999400 -0.847600 9.4053E+00 3.3317E+00 4.8586E+00 H1 2804 1.008000 0.423800 1.0233E+01 3.5073E+00 5.3918E+00 H2 2805 1.008000 0.423800 8.9008E+00 4.1862E+00 4.7350E+00 O6 2806 15.999400 -0.847600 7.4039E+00 -1.9857E+00 -1.2163E+01 H1 2807 1.008000 0.423800 7.0504E+00 -1.9535E+00 -1.1228E+01 H2 2808 1.008000 0.423800 8.4009E+00 -1.9106E+00 -1.2145E+01 O6 2809 15.999400 -0.847600 -9.2784E+00 2.0325E+00 -1.6305E+01 H1 2810 1.008000 0.423800 -9.6256E+00 2.9056E+00 -1.5963E+01 H2 2811 1.008000 0.423800 -1.0046E+01 1.4549E+00 -1.6584E+01 O6 2812 15.999400 -0.847600 -1.4574E+01 2.3177E+00 4.5205E+00 H1 2813 1.008000 0.423800 -1.4896E+01 2.5264E+00 3.5969E+00 H2 2814 1.008000 0.423800 -1.4837E+01 1.3836E+00 4.7618E+00 O6 2815 15.999400 -0.847600 1.9527E+01 1.3695E+01 -1.3820E+01 H1 2816 1.008000 0.423800 1.8534E+01 1.3646E+01 -1.3705E+01 H2 2817 1.008000 0.423800 -1.9337E+01 1.4503E+01 -1.4361E+01 O6 2818 15.999400 -0.847600 1.2576E+01 6.7296E+00 6.2315E+00 H1 2819 1.008000 0.423800 1.2520E+01 7.1738E+00 7.1257E+00 H2 2820 1.008000 0.423800 1.3534E+01 6.6451E+00 5.9600E+00 O6 2821 15.999400 -0.847600 1.6523E+01 1.1260E+01 -6.0012E+00 H1 2822 1.008000 0.423800 1.5528E+01 1.1154E+01 -5.9918E+00 H2 2823 1.008000 0.423800 1.6869E+01 1.1076E+01 -6.9211E+00 O6 2824 15.999400 -0.847600 -2.6091E+00 -3.1677E+00 -6.2267E+00 H1 2825 1.008000 0.423800 -2.1923E+00 -2.6995E+00 -5.4476E+00 H2 2826 1.008000 0.423800 -2.7726E+00 -4.1257E+00 -5.9913E+00 O6 2827 15.999400 -0.847600 9.0590E+00 -1.4930E+01 6.9105E+00 H1 2828 1.008000 0.423800 8.7083E+00 -1.5820E+01 6.6204E+00 H2 2829 1.008000 0.423800 8.2935E+00 -1.4330E+01 7.1421E+00 O6 2830 15.999400 -0.847600 -1.6020E+01 1.0391E+01 -6.8888E+00 H1 2831 1.008000 0.423800 -1.5159E+01 1.0676E+01 -7.3108E+00 H2 2832 1.008000 0.423800 -1.6727E+01 1.0317E+01 -7.5917E+00 O6 2833 15.999400 -0.847600 -1.1311E+01 8.3837E+00 -2.5479E+00 H1 2834 1.008000 0.423800 -1.1952E+01 8.6479E+00 -1.8271E+00 H2 2835 1.008000 0.423800 -1.0650E+01 9.1199E+00 -2.6923E+00 O6 2836 15.999400 -0.847600 6.5738E+00 -8.1134E+00 9.4403E+00 H1 2837 1.008000 0.423800 5.7672E+00 -7.5579E+00 9.2381E+00 H2 2838 1.008000 0.423800 7.1109E+00 -8.2373E+00 8.6060E+00 O6 2839 15.999400 -0.847600 -1.7285E+01 -1.0084E+01 -1.9099E+01 H1 2840 1.008000 0.423800 -1.6782E+01 -9.2377E+00 -1.9275E+01 H2 2841 1.008000 0.423800 -1.6843E+01 -1.0841E+01 1.9518E+01 O6 2842 15.999400 -0.847600 1.7764E+01 1.0118E+00 -3.7033E-01 H1 2843 1.008000 0.423800 1.7013E+01 1.4629E+00 1.1104E-01 H2 2844 1.008000 0.423800 1.7399E+01 2.8406E-01 -9.5080E-01 O6 2845 15.999400 -0.847600 -6.1852E+00 5.3186E+00 -6.4351E+00 H1 2846 1.008000 0.423800 -5.8875E+00 6.2098E+00 -6.7772E+00 H2 2847 1.008000 0.423800 -7.1806E+00 5.3142E+00 -6.3387E+00 O6 2848 15.999400 -0.847600 -1.2270E+01 1.6933E+01 1.6275E+01 H1 2849 1.008000 0.423800 -1.3234E+01 1.6691E+01 1.6388E+01 H2 2850 1.008000 0.423800 -1.2193E+01 1.7913E+01 1.6090E+01 O6 2851 15.999400 -0.847600 -1.4325E+01 -1.5181E+00 -6.1614E+00 H1 2852 1.008000 0.423800 -1.4584E+01 -2.3287E+00 -5.6364E+00 H2 2853 1.008000 0.423800 -1.5087E+01 -1.2423E+00 -6.7472E+00 O6 2854 15.999400 -0.847600 -6.9563E+00 1.8751E+01 -6.6837E+00 H1 2855 1.008000 0.423800 -7.7340E+00 1.8544E+01 -6.0902E+00 H2 2856 1.008000 0.423800 -6.1120E+00 1.8724E+01 -6.1485E+00 O6 2857 15.999400 -0.847600 4.3547E+00 -1.1826E+01 1.0725E+01 H1 2858 1.008000 0.423800 3.5174E+00 -1.1626E+01 1.0216E+01 H2 2859 1.008000 0.423800 4.4228E+00 -1.2811E+01 1.0881E+01 O6 2860 15.999400 -0.847600 -5.6282E+00 -1.9590E+00 -6.3480E+00 H1 2861 1.008000 0.423800 -5.6212E+00 -1.1592E+00 -6.9482E+00 H2 2862 1.008000 0.423800 -4.6879E+00 -2.2419E+00 -6.1589E+00 O6 2863 15.999400 -0.847600 1.1095E+01 -5.5960E+00 -1.6600E+01 H1 2864 1.008000 0.423800 1.0985E+01 -5.9844E+00 -1.7515E+01 H2 2865 1.008000 0.423800 1.0770E+01 -4.6503E+00 -1.6598E+01 O6 2866 15.999400 -0.847600 7.2629E+00 -2.0984E+00 8.3091E+00 H1 2867 1.008000 0.423800 6.6449E+00 -2.1368E+00 9.0944E+00 H2 2868 1.008000 0.423800 6.7656E+00 -1.7612E+00 7.5098E+00 O6 2869 15.999400 -0.847600 1.6569E+01 1.6533E+01 5.2204E+00 H1 2870 1.008000 0.423800 1.6941E+01 1.7365E+01 4.8072E+00 H2 2871 1.008000 0.423800 1.6536E+01 1.5806E+01 4.5345E+00 O6 2872 15.999400 -0.847600 1.5954E+01 7.5803E+00 1.0294E+01 H1 2873 1.008000 0.423800 1.5287E+01 6.9547E+00 9.8893E+00 H2 2874 1.008000 0.423800 1.6513E+01 7.9854E+00 9.5698E+00 O6 2875 15.999400 -0.847600 1.7425E+01 1.0646E+01 -1.5295E+01 H1 2876 1.008000 0.423800 1.7801E+01 1.1572E+01 -1.5324E+01 H2 2877 1.008000 0.423800 1.7126E+01 1.0436E+01 -1.4364E+01 O6 2878 15.999400 -0.847600 -5.5962E+00 -4.4643E+00 -1.7997E+01 H1 2879 1.008000 0.423800 -5.8174E+00 -3.8428E+00 -1.8748E+01 H2 2880 1.008000 0.423800 -5.3949E+00 -3.9335E+00 -1.7173E+01 O6 2881 15.999400 -0.847600 -1.1950E+01 -1.7123E+01 1.0315E+01 H1 2882 1.008000 0.423800 -1.1121E+01 -1.7065E+01 1.0872E+01 H2 2883 1.008000 0.423800 -1.2690E+01 -1.6625E+01 1.0766E+01 O6 2884 15.999400 -0.847600 -1.8138E+00 7.6213E+00 -1.5775E+01 H1 2885 1.008000 0.423800 -9.5424E-01 7.7993E+00 -1.6254E+01 H2 2886 1.008000 0.423800 -1.6265E+00 7.4445E+00 -1.4808E+01 O6 2887 15.999400 -0.847600 -8.2876E+00 1.0441E+01 -1.1569E+01 H1 2888 1.008000 0.423800 -7.7576E+00 9.8379E+00 -1.2164E+01 H2 2889 1.008000 0.423800 -7.7248E+00 1.1223E+01 -1.1300E+01 O6 2890 15.999400 -0.847600 6.8629E+00 3.8271E+00 1.7583E+00 H1 2891 1.008000 0.423800 7.7201E+00 3.4082E+00 1.4587E+00 H2 2892 1.008000 0.423800 6.9806E+00 4.8181E+00 1.8217E+00 O6 2893 15.999400 -0.847600 -5.3304E+00 -9.3153E+00 -1.3111E+01 H1 2894 1.008000 0.423800 -6.2356E+00 -8.8987E+00 -1.3027E+01 H2 2895 1.008000 0.423800 -4.7430E+00 -8.7267E+00 -1.3666E+01 O6 2896 15.999400 -0.847600 -1.0814E+01 -1.8644E+01 6.5076E+00 H1 2897 1.008000 0.423800 -9.8530E+00 -1.8370E+01 6.4617E+00 H2 2898 1.008000 0.423800 -1.1033E+01 -1.8935E+01 7.4388E+00 O6 2899 15.999400 -0.847600 -9.4432E+00 -1.5519E+01 -1.9177E+01 H1 2900 1.008000 0.423800 -9.3418E+00 -1.4541E+01 -1.8994E+01 H2 2901 1.008000 0.423800 -8.5701E+00 -1.5891E+01 -1.9492E+01 O6 2902 15.999400 -0.847600 -3.4471E+00 -7.8296E+00 -1.0176E+01 H1 2903 1.008000 0.423800 -4.2410E+00 -7.4813E+00 -1.0674E+01 H2 2904 1.008000 0.423800 -3.5507E+00 -7.6285E+00 -9.2016E+00 O6 2905 15.999400 -0.847600 -7.3432E+00 1.8033E+01 1.3974E+01 H1 2906 1.008000 0.423800 -6.6039E+00 1.7740E+01 1.3367E+01 H2 2907 1.008000 0.423800 -7.3546E+00 1.9031E+01 1.4027E+01 O6 2908 15.999400 -0.847600 6.0304E+00 -1.8841E+01 -1.6901E+01 H1 2909 1.008000 0.423800 6.3998E+00 -1.9411E+01 -1.6167E+01 H2 2910 1.008000 0.423800 5.8154E+00 -1.7933E+01 -1.6542E+01 O6 2911 15.999400 -0.847600 1.1842E+01 -6.8889E+00 -9.8213E+00 H1 2912 1.008000 0.423800 1.2661E+01 -6.3335E+00 -9.6748E+00 H2 2913 1.008000 0.423800 1.1132E+01 -6.3296E+00 -1.0249E+01 O6 2914 15.999400 -0.847600 -9.9290E+00 3.8341E+00 1.7994E+01 H1 2915 1.008000 0.423800 -9.8115E+00 2.8410E+00 1.7994E+01 H2 2916 1.008000 0.423800 -9.7922E+00 4.1859E+00 1.7068E+01 O6 2917 15.999400 -0.847600 3.1043E+00 -4.7272E+00 -8.7988E+00 H1 2918 1.008000 0.423800 2.7419E+00 -3.8390E+00 -8.5163E+00 H2 2919 1.008000 0.423800 2.3583E+00 -5.2975E+00 -9.1425E+00 O6 2920 15.999400 -0.847600 -1.7289E+01 -1.3718E+01 -2.3385E+00 H1 2921 1.008000 0.423800 -1.7262E+01 -1.4586E+01 -1.8437E+00 H2 2922 1.008000 0.423800 -1.7220E+01 -1.2961E+01 -1.6880E+00 O6 2923 15.999400 -0.847600 -5.8276E-02 -1.9337E+01 6.8040E-01 H1 2924 1.008000 0.423800 2.7008E-01 1.9240E+01 -1.0758E-01 H2 2925 1.008000 0.423800 2.6032E-02 -1.8358E+01 4.9171E-01 O6 2926 15.999400 -0.847600 1.7696E+01 -4.3260E-01 1.9258E+01 H1 2927 1.008000 0.423800 1.7367E+01 5.1119E-01 1.9219E+01 H2 2928 1.008000 0.423800 1.6937E+01 -1.0573E+00 1.9075E+01 O6 2929 15.999400 -0.847600 -1.6371E+01 6.2551E+00 1.3046E+01 H1 2930 1.008000 0.423800 -1.5473E+01 6.4366E+00 1.3445E+01 H2 2931 1.008000 0.423800 -1.6262E+01 5.9830E+00 1.2090E+01 O6 2932 15.999400 -0.847600 1.2307E+01 -1.7072E+00 5.6316E+00 H1 2933 1.008000 0.423800 1.1548E+01 -1.1792E+00 5.2497E+00 H2 2934 1.008000 0.423800 1.2073E+01 -2.6794E+00 5.6250E+00 O6 2935 15.999400 -0.847600 -1.4570E+00 -1.2267E+01 -1.8043E+01 H1 2936 1.008000 0.423800 -7.1928E-01 -1.1600E+01 -1.7934E+01 H2 2937 1.008000 0.423800 -2.3238E+00 -1.1786E+01 -1.8174E+01 O6 2938 15.999400 -0.847600 -1.5334E+01 -5.5807E+00 -1.5950E+01 H1 2939 1.008000 0.423800 -1.5087E+01 -5.0047E+00 -1.6730E+01 H2 2940 1.008000 0.423800 -1.5653E+01 -6.4692E+00 -1.6280E+01 O6 2941 15.999400 -0.847600 -2.3617E-01 -1.6126E+01 -1.2611E+01 H1 2942 1.008000 0.423800 -7.8010E-03 -1.7091E+01 -1.2740E+01 H2 2943 1.008000 0.423800 -1.1389E+00 -1.5942E+01 -1.3000E+01 O6 2944 15.999400 -0.847600 1.5089E+01 2.0555E+00 -1.0228E+01 H1 2945 1.008000 0.423800 1.4357E+01 2.7155E+00 -1.0060E+01 H2 2946 1.008000 0.423800 1.4832E+01 1.4571E+00 -1.0986E+01 O6 2947 15.999400 -0.847600 1.4624E+01 5.4012E+00 9.4578E+00 H1 2948 1.008000 0.423800 1.5162E+01 5.2706E+00 8.6249E+00 H2 2949 1.008000 0.423800 1.4753E+01 4.6165E+00 1.0064E+01 O6 2950 15.999400 -0.847600 1.3053E+01 6.2611E+00 1.5716E+01 H1 2951 1.008000 0.423800 1.2420E+01 5.4877E+00 1.5727E+01 H2 2952 1.008000 0.423800 1.3193E+01 6.5916E+00 1.6649E+01 O6 2953 15.999400 -0.847600 -3.0391E+00 -1.3352E+00 -1.0090E+01 H1 2954 1.008000 0.423800 -2.6648E+00 -7.7283E-01 -1.0827E+01 H2 2955 1.008000 0.423800 -4.0378E+00 -1.2863E+00 -1.0107E+01 O6 2956 15.999400 -0.847600 2.9983E+00 1.2468E+01 2.0820E+00 H1 2957 1.008000 0.423800 2.8586E+00 1.1914E+01 2.9025E+00 H2 2958 1.008000 0.423800 3.8481E+00 1.2987E+01 2.1714E+00 O6 2959 15.999400 -0.847600 1.0909E+01 -1.6570E+01 4.5645E-01 H1 2960 1.008000 0.423800 1.0389E+01 -1.6679E+01 -3.9094E-01 H2 2961 1.008000 0.423800 1.1545E+01 -1.5804E+01 3.6136E-01 O6 2962 15.999400 -0.847600 1.5169E+01 8.4350E-01 8.0358E+00 H1 2963 1.008000 0.423800 1.5799E+01 8.4721E-01 8.8127E+00 H2 2964 1.008000 0.423800 1.4706E+01 -4.1214E-02 7.9868E+00 O6 2965 15.999400 -0.847600 -9.4231E+00 -7.7878E+00 -4.2922E+00 H1 2966 1.008000 0.423800 -9.1918E+00 -6.8455E+00 -4.5342E+00 H2 2967 1.008000 0.423800 -9.6953E+00 -7.8276E+00 -3.3308E+00 O6 2968 15.999400 -0.847600 3.2850E-01 1.7119E+00 1.1066E+01 H1 2969 1.008000 0.423800 -6.6036E-01 1.8314E+00 1.0976E+01 H2 2970 1.008000 0.423800 7.4855E-01 2.5848E+00 1.1314E+01 O6 2971 15.999400 -0.847600 7.8577E+00 1.3185E+01 1.3920E+01 H1 2972 1.008000 0.423800 7.5697E+00 1.2230E+01 1.3851E+01 H2 2973 1.008000 0.423800 8.8408E+00 1.3250E+01 1.3749E+01 O6 2974 15.999400 -0.847600 -1.8570E+01 -1.5080E+01 7.8879E-02 H1 2975 1.008000 0.423800 -1.9466E+01 -1.5302E+01 4.6468E-01 H2 2976 1.008000 0.423800 -1.8087E+01 -1.5925E+01 -1.5035E-01 O6 2977 15.999400 -0.847600 -1.5968E+00 -3.0210E+00 -1.2404E+01 H1 2978 1.008000 0.423800 -1.5532E+00 -3.9204E+00 -1.1969E+01 H2 2979 1.008000 0.423800 -2.3979E+00 -2.9780E+00 -1.3001E+01 O6 2980 15.999400 -0.847600 1.4223E+01 1.3020E+00 -3.1758E+00 H1 2981 1.008000 0.423800 1.3556E+01 7.0331E-01 -3.6202E+00 H2 2982 1.008000 0.423800 1.4299E+01 2.1556E+00 -3.6912E+00 O6 2983 15.999400 -0.847600 2.7448E+00 1.4752E-01 -7.7800E+00 H1 2984 1.008000 0.423800 2.4289E+00 7.2883E-01 -7.0301E+00 H2 2985 1.008000 0.423800 3.2374E+00 7.0451E-01 -8.4486E+00 O6 2986 15.999400 -0.847600 -1.4716E+01 9.9025E-01 1.6749E+01 H1 2987 1.008000 0.423800 -1.5333E+01 7.3255E-01 1.7493E+01 H2 2988 1.008000 0.423800 -1.3904E+01 1.4335E+00 1.7129E+01 O6 2989 15.999400 -0.847600 1.3712E+01 8.8879E+00 9.1623E-01 H1 2990 1.008000 0.423800 1.3354E+01 8.5477E+00 1.7857E+00 H2 2991 1.008000 0.423800 1.4061E+01 8.1215E+00 3.7651E-01 O6 2992 15.999400 -0.847600 2.7506E+00 1.8141E+01 -8.9846E+00 H1 2993 1.008000 0.423800 2.6294E+00 1.8748E+01 -8.1991E+00 H2 2994 1.008000 0.423800 3.5365E+00 1.8446E+01 -9.5228E+00 O6 2995 15.999400 -0.847600 1.6475E+01 -1.8017E+01 1.7349E+01 H1 2996 1.008000 0.423800 1.5988E+01 -1.7172E+01 1.7571E+01 H2 2997 1.008000 0.423800 1.7460E+01 -1.7843E+01 1.7346E+01 O6 2998 15.999400 -0.847600 1.8917E+01 4.5680E+00 4.5612E-01 H1 2999 1.008000 0.423800 1.8904E+01 4.0548E+00 1.3143E+00 H2 3000 1.008000 0.423800 -1.9368E+01 4.3176E+00 -6.9857E-02 O6 3001 15.999400 -0.847600 -4.8985E+00 1.5459E+01 -1.2782E+01 H1 3002 1.008000 0.423800 -4.3297E+00 1.5905E+01 -1.3473E+01 H2 3003 1.008000 0.423800 -5.3472E+00 1.6153E+01 -1.2220E+01 O6 3004 15.999400 -0.847600 1.3448E+01 1.6120E+01 1.2957E+01 H1 3005 1.008000 0.423800 1.3538E+01 1.5332E+01 1.2349E+01 H2 3006 1.008000 0.423800 1.3412E+01 1.6959E+01 1.2413E+01 O6 3007 15.999400 -0.847600 -2.7080E+00 5.1768E+00 -1.6680E+01 H1 3008 1.008000 0.423800 -2.4350E+00 6.1219E+00 -1.6501E+01 H2 3009 1.008000 0.423800 -3.3936E+00 5.1603E+00 -1.7408E+01 O6 3010 15.999400 -0.847600 -1.5292E+01 -5.4261E+00 -1.9042E+01 H1 3011 1.008000 0.423800 -1.6278E+01 -5.4130E+00 -1.9207E+01 H2 3012 1.008000 0.423800 -1.4898E+01 -6.2529E+00 -1.9443E+01 O6 3013 15.999400 -0.847600 8.8877E+00 -1.0088E+01 1.4997E+00 H1 3014 1.008000 0.423800 8.7679E+00 -1.0076E+01 5.0693E-01 H2 3015 1.008000 0.423800 7.9919E+00 -1.0114E+01 1.9432E+00 O6 3016 15.999400 -0.847600 -4.1675E+00 -1.6732E+01 -1.8260E+01 H1 3017 1.008000 0.423800 -4.6433E+00 -1.6856E+01 -1.7389E+01 H2 3018 1.008000 0.423800 -3.2653E+00 -1.6334E+01 -1.8093E+01 O6 3019 15.999400 -0.847600 -8.8224E+00 1.2372E+01 1.1329E+01 H1 3020 1.008000 0.423800 -8.8071E+00 1.2849E+01 1.2208E+01 H2 3021 1.008000 0.423800 -7.9028E+00 1.2045E+01 1.1112E+01 O6 3022 15.999400 -0.847600 1.6034E+01 -1.1280E+01 1.5494E+01 H1 3023 1.008000 0.423800 1.6557E+01 -1.1027E+01 1.6308E+01 H2 3024 1.008000 0.423800 1.6448E+01 -1.2085E+01 1.5069E+01 O6 3025 15.999400 -0.847600 -3.5032E+00 -9.2140E-01 -3.9005E+00 H1 3026 1.008000 0.423800 -2.6613E+00 -1.4464E+00 -4.0258E+00 H2 3027 1.008000 0.423800 -4.0358E+00 -1.3191E+00 -3.1534E+00 O6 3028 15.999400 -0.847600 -1.1043E+01 2.9113E+00 -7.6255E+00 H1 3029 1.008000 0.423800 -1.0242E+01 3.1927E+00 -7.0971E+00 H2 3030 1.008000 0.423800 -1.1066E+01 1.9137E+00 -7.6905E+00 O6 3031 15.999400 -0.847600 1.3890E+01 -1.3655E+01 2.4180E+00 H1 3032 1.008000 0.423800 1.3603E+01 -1.2937E+01 3.0517E+00 H2 3033 1.008000 0.423800 1.4473E+01 -1.3261E+01 1.7085E+00 O6 3034 15.999400 -0.847600 1.1670E+00 1.0510E+01 1.7338E+01 H1 3035 1.008000 0.423800 1.3989E+00 1.1159E+01 1.6613E+01 H2 3036 1.008000 0.423800 5.6247E-01 9.8027E+00 1.6972E+01 O6 3037 15.999400 -0.847600 2.6393E+00 -1.6125E+01 7.0610E+00 H1 3038 1.008000 0.423800 2.6341E+00 -1.5775E+01 7.9977E+00 H2 3039 1.008000 0.423800 2.4637E+00 -1.7109E+01 7.0724E+00 O6 3040 15.999400 -0.847600 -1.3127E+01 -6.7448E+00 1.4729E+01 H1 3041 1.008000 0.423800 -1.3551E+01 -5.9700E+00 1.4260E+01 H2 3042 1.008000 0.423800 -1.3322E+01 -6.6890E+00 1.5708E+01 O6 3043 15.999400 -0.847600 1.6071E+01 -1.3778E+01 3.9432E+00 H1 3044 1.008000 0.423800 1.5310E+01 -1.3891E+01 4.5817E+00 H2 3045 1.008000 0.423800 1.5754E+01 -1.3956E+01 3.0117E+00 O6 3046 15.999400 -0.847600 1.3907E+01 -7.4304E+00 1.3380E+01 H1 3047 1.008000 0.423800 1.3469E+01 -6.7349E+00 1.3949E+01 H2 3048 1.008000 0.423800 1.3487E+01 -8.3201E+00 1.3557E+01 O6 3049 15.999400 -0.847600 1.1567E+01 -1.3460E+01 -1.7797E+00 H1 3050 1.008000 0.423800 1.1849E+01 -1.4336E+01 -1.3876E+00 H2 3051 1.008000 0.423800 1.0796E+01 -1.3605E+01 -2.3992E+00 O6 3052 15.999400 -0.847600 -1.5538E+01 3.2036E+00 -8.2664E+00 H1 3053 1.008000 0.423800 -1.4823E+01 2.6283E+00 -8.6635E+00 H2 3054 1.008000 0.423800 -1.6406E+01 2.7059E+00 -8.2678E+00 O6 3055 15.999400 -0.847600 -5.7119E+00 -7.4071E+00 1.7963E+01 H1 3056 1.008000 0.423800 -4.8647E+00 -6.9881E+00 1.8290E+01 H2 3057 1.008000 0.423800 -5.5009E+00 -8.0677E+00 1.7243E+01 O6 3058 15.999400 -0.847600 5.0005E+00 -2.5700E+00 2.3449E+00 H1 3059 1.008000 0.423800 4.1848E+00 -2.9480E+00 1.9071E+00 H2 3060 1.008000 0.423800 4.8220E+00 -1.6267E+00 2.6244E+00 O6 3061 15.999400 -0.847600 1.0425E+01 7.4158E+00 1.7047E+01 H1 3062 1.008000 0.423800 1.0309E+01 8.3721E+00 1.6779E+01 H2 3063 1.008000 0.423800 1.1365E+01 7.2676E+00 1.7353E+01 O6 3064 15.999400 -0.847600 4.6465E+00 -1.5817E+01 -1.9285E+01 H1 3065 1.008000 0.423800 5.3210E+00 -1.6555E+01 -1.9318E+01 H2 3066 1.008000 0.423800 4.9156E+00 -1.5092E+01 1.9179E+01 O6 3067 15.999400 -0.847600 1.2824E+00 1.3313E+01 1.4608E-01 H1 3068 1.008000 0.423800 1.5244E+00 1.4278E+01 5.1795E-02 H2 3069 1.008000 0.423800 1.8819E+00 1.2883E+01 8.2154E-01 O6 3070 15.999400 -0.847600 -1.7568E+01 -1.6366E+01 -1.4788E+01 H1 3071 1.008000 0.423800 -1.6827E+01 -1.6011E+01 -1.4217E+01 H2 3072 1.008000 0.423800 -1.8439E+01 -1.6257E+01 -1.4308E+01 O6 3073 15.999400 -0.847600 7.7788E-02 -1.6897E+01 6.4132E+00 H1 3074 1.008000 0.423800 1.1048E-01 -1.7617E+01 5.7201E+00 H2 3075 1.008000 0.423800 1.0089E+00 -1.6617E+01 6.6473E+00 O6 3076 15.999400 -0.847600 -1.3411E+00 1.9424E+01 -1.8017E+01 H1 3077 1.008000 0.423800 -1.1230E+00 -1.9099E+01 -1.8806E+01 H2 3078 1.008000 0.423800 -5.5156E-01 1.9385E+01 -1.7405E+01 O6 3079 15.999400 -0.847600 -1.8873E+01 1.3660E+01 7.0628E+00 H1 3080 1.008000 0.423800 -1.8338E+01 1.3852E+01 7.8856E+00 H2 3081 1.008000 0.423800 -1.9541E+01 1.4391E+01 6.9214E+00 O6 3082 15.999400 -0.847600 1.7894E+01 1.8894E+01 -4.7499E+00 H1 3083 1.008000 0.423800 1.7888E+01 1.8594E+01 -3.7960E+00 H2 3084 1.008000 0.423800 1.7780E+01 -1.9211E+01 -4.7878E+00 O6 3085 15.999400 -0.847600 1.1739E+01 5.2346E+00 3.4233E+00 H1 3086 1.008000 0.423800 1.2585E+01 4.7932E+00 3.1241E+00 H2 3087 1.008000 0.423800 1.1250E+01 4.6276E+00 4.0497E+00 O6 3088 15.999400 -0.847600 -2.4485E+00 1.8165E+00 3.9552E+00 H1 3089 1.008000 0.423800 -1.4901E+00 1.8602E+00 3.6731E+00 H2 3090 1.008000 0.423800 -2.5135E+00 1.3682E+00 4.8466E+00 O6 3091 15.999400 -0.847600 3.5537E+00 4.8047E+00 1.5087E+01 H1 3092 1.008000 0.423800 3.4569E+00 4.7786E+00 1.6082E+01 H2 3093 1.008000 0.423800 2.7962E+00 5.3244E+00 1.4692E+01 O6 3094 15.999400 -0.847600 -6.6045E+00 -1.4283E+01 8.9158E+00 H1 3095 1.008000 0.423800 -6.2354E+00 -1.5172E+01 9.1858E+00 H2 3096 1.008000 0.423800 -7.2988E+00 -1.4411E+01 8.2077E+00 O6 3097 15.999400 -0.847600 1.7105E+01 1.9699E+00 -5.9507E+00 H1 3098 1.008000 0.423800 1.7032E+01 1.6451E+00 -6.8937E+00 H2 3099 1.008000 0.423800 1.7606E+01 1.2981E+00 -5.4046E+00 O6 3100 15.999400 -0.847600 1.8732E+01 -4.5319E+00 1.8594E+01 H1 3101 1.008000 0.423800 1.7831E+01 -4.8352E+00 1.8905E+01 H2 3102 1.008000 0.423800 1.8726E+01 -3.5393E+00 1.8472E+01 O6 3103 15.999400 -0.847600 3.9410E+00 1.5095E+01 -9.4026E+00 H1 3104 1.008000 0.423800 3.3276E+00 1.4393E+01 -9.7658E+00 H2 3105 1.008000 0.423800 3.4013E+00 1.5856E+01 -9.0442E+00 O6 3106 15.999400 -0.847600 3.0632E+00 1.8405E+01 -3.0258E+00 H1 3107 1.008000 0.423800 2.9610E+00 1.7465E+01 -2.6983E+00 H2 3108 1.008000 0.423800 2.1855E+00 1.8733E+01 -3.3742E+00 O6 3109 15.999400 -0.847600 1.8001E+01 -3.2846E+00 5.2396E+00 H1 3110 1.008000 0.423800 1.8815E+01 -3.4590E+00 5.7932E+00 H2 3111 1.008000 0.423800 1.7935E+01 -2.3064E+00 5.0424E+00 O6 3112 15.999400 -0.847600 -5.9202E+00 3.2813E+00 -1.7098E+01 H1 3113 1.008000 0.423800 -6.7870E+00 3.7016E+00 -1.6829E+01 H2 3114 1.008000 0.423800 -5.2853E+00 3.9917E+00 -1.7401E+01 O6 3115 15.999400 -0.847600 -1.7899E+01 1.2656E+01 -1.2032E+01 H1 3116 1.008000 0.423800 -1.7725E+01 1.1695E+01 -1.2247E+01 H2 3117 1.008000 0.423800 -1.8563E+01 1.3028E+01 -1.2681E+01 O6 3118 15.999400 -0.847600 4.1806E+00 1.1769E+01 -5.6353E+00 H1 3119 1.008000 0.423800 4.8001E+00 1.2550E+01 -5.7144E+00 H2 3120 1.008000 0.423800 3.7034E+00 1.1633E+01 -6.5035E+00 O6 3121 15.999400 -0.847600 -5.8067E-02 -1.3945E+00 -1.8306E+00 H1 3122 1.008000 0.423800 -4.8459E-02 -2.1387E+00 -1.1627E+00 H2 3123 1.008000 0.423800 8.8082E-01 -1.1156E+00 -2.0323E+00 O6 3124 15.999400 -0.847600 -1.9513E+01 1.0025E+01 1.7475E+01 H1 3125 1.008000 0.423800 1.8866E+01 9.8880E+00 1.6792E+01 H2 3126 1.008000 0.423800 1.9169E+01 1.0269E+01 1.8351E+01 O6 3127 15.999400 -0.847600 -1.3177E+01 -1.7792E+01 1.7985E+01 H1 3128 1.008000 0.423800 -1.3128E+01 -1.8478E+01 1.8711E+01 H2 3129 1.008000 0.423800 -1.2459E+01 -1.7110E+01 1.8122E+01 O6 3130 15.999400 -0.847600 1.6205E+01 5.1691E+00 3.1876E+00 H1 3131 1.008000 0.423800 1.6328E+01 5.7372E+00 2.3738E+00 H2 3132 1.008000 0.423800 1.7055E+01 4.6801E+00 3.3842E+00 O6 3133 15.999400 -0.847600 1.5314E+01 -1.4780E+01 8.4626E+00 H1 3134 1.008000 0.423800 1.4544E+01 -1.4145E+01 8.5119E+00 H2 3135 1.008000 0.423800 1.5906E+01 -1.4528E+01 7.6969E+00 O6 3136 15.999400 -0.847600 -1.0686E+01 -1.1920E+01 -1.6115E+01 H1 3137 1.008000 0.423800 -1.1303E+01 -1.2157E+01 -1.6866E+01 H2 3138 1.008000 0.423800 -1.0602E+01 -1.2700E+01 -1.5495E+01 O6 3139 15.999400 -0.847600 4.1514E+00 -9.5477E+00 -4.0281E+00 H1 3140 1.008000 0.423800 4.2326E+00 -1.0485E+01 -3.6882E+00 H2 3141 1.008000 0.423800 4.7037E+00 -9.4442E+00 -4.8553E+00 O6 3142 15.999400 -0.847600 1.5061E+01 2.6071E+00 1.0772E+01 H1 3143 1.008000 0.423800 1.5153E+01 2.4773E+00 1.1760E+01 H2 3144 1.008000 0.423800 1.4092E+01 2.6180E+00 1.0526E+01 O6 3145 15.999400 -0.847600 -1.2465E+01 3.8843E+00 5.2066E+00 H1 3146 1.008000 0.423800 -1.1690E+01 3.8212E+00 5.8350E+00 H2 3147 1.008000 0.423800 -1.3079E+01 3.1087E+00 5.3553E+00 O6 3148 15.999400 -0.847600 -9.4723E+00 -9.8800E+00 -1.0689E+01 H1 3149 1.008000 0.423800 -9.7331E+00 -1.0524E+01 -9.9694E+00 H2 3150 1.008000 0.423800 -9.8008E+00 -1.0216E+01 -1.1572E+01 O6 3151 15.999400 -0.847600 -1.6908E+00 -1.7316E+01 -8.2810E+00 H1 3152 1.008000 0.423800 -1.4237E+00 -1.6692E+01 -9.0151E+00 H2 3153 1.008000 0.423800 -1.0828E+00 -1.8110E+01 -8.2809E+00 O6 3154 15.999400 -0.847600 8.3435E-01 -1.9165E+01 4.6561E+00 H1 3155 1.008000 0.423800 1.6253E+00 -1.8713E+01 4.2436E+00 H2 3156 1.008000 0.423800 3.4969E-01 1.9406E+01 3.9577E+00 O6 3157 15.999400 -0.847600 -3.7490E+00 6.6489E+00 6.7480E+00 H1 3158 1.008000 0.423800 -3.0344E+00 6.0381E+00 6.4070E+00 H2 3159 1.008000 0.423800 -4.6263E+00 6.1689E+00 6.7467E+00 O6 3160 15.999400 -0.847600 -7.5731E+00 1.8319E+01 4.5034E+00 H1 3161 1.008000 0.423800 -8.1326E+00 1.8240E+01 5.3285E+00 H2 3162 1.008000 0.423800 -6.6501E+00 1.8612E+01 4.7535E+00 O6 3163 15.999400 -0.847600 -1.5883E+01 2.6990E+00 2.3422E+00 H1 3164 1.008000 0.423800 -1.5318E+01 2.8392E+00 1.5292E+00 H2 3165 1.008000 0.423800 -1.6516E+01 1.9419E+00 2.1815E+00 O6 3166 15.999400 -0.847600 -3.0831E+00 -4.0852E+00 -9.6010E+00 H1 3167 1.008000 0.423800 -2.8749E+00 -4.3668E+00 -1.0538E+01 H2 3168 1.008000 0.423800 -2.8426E+00 -3.1220E+00 -9.4814E+00 O6 3169 15.999400 -0.847600 -1.0523E+01 1.3690E+00 8.3141E+00 H1 3170 1.008000 0.423800 -1.0815E+01 8.0451E-01 7.5422E+00 H2 3171 1.008000 0.423800 -1.1189E+01 1.2909E+00 9.0556E+00 O6 3172 15.999400 -0.847600 9.4092E+00 5.5425E-01 -9.0218E-01 H1 3173 1.008000 0.423800 9.1616E+00 -6.4905E-02 -1.6474E+00 H2 3174 1.008000 0.423800 1.0020E+01 8.2540E-02 -2.6582E-01 O6 3175 15.999400 -0.847600 6.0980E+00 -4.6991E+00 -9.1885E+00 H1 3176 1.008000 0.423800 5.1445E+00 -4.8804E+00 -8.9477E+00 H2 3177 1.008000 0.423800 6.1832E+00 -3.7631E+00 -9.5301E+00 O6 3178 15.999400 -0.847600 1.4853E+01 1.2449E+01 -8.9872E+00 H1 3179 1.008000 0.423800 1.4517E+01 1.3361E+01 -8.7525E+00 H2 3180 1.008000 0.423800 1.5842E+01 1.2411E+01 -8.8465E+00 O6 3181 15.999400 -0.847600 -1.5704E+01 -4.1520E+00 -5.4670E+00 H1 3182 1.008000 0.423800 -1.4960E+01 -4.7328E+00 -5.1354E+00 H2 3183 1.008000 0.423800 -1.5573E+01 -3.9668E+00 -6.4410E+00 O6 3184 15.999400 -0.847600 5.1994E+00 7.3698E+00 2.3775E+00 H1 3185 1.008000 0.423800 5.0108E+00 8.3144E+00 2.1089E+00 H2 3186 1.008000 0.423800 4.4421E+00 7.0232E+00 2.9310E+00 O6 3187 15.999400 -0.847600 1.5665E+01 1.4426E+01 1.4863E+01 H1 3188 1.008000 0.423800 1.5386E+01 1.4909E+01 1.5692E+01 H2 3189 1.008000 0.423800 1.6473E+01 1.4869E+01 1.4475E+01 O6 3190 15.999400 -0.847600 -1.5982E+01 -9.5284E+00 1.6598E+01 H1 3191 1.008000 0.423800 -1.5186E+01 -1.0110E+01 1.6433E+01 H2 3192 1.008000 0.423800 -1.6117E+01 -8.9176E+00 1.5818E+01 O6 3193 15.999400 -0.847600 -1.6417E+01 -1.6314E+01 3.6662E+00 H1 3194 1.008000 0.423800 -1.6272E+01 -1.5942E+01 2.7494E+00 H2 3195 1.008000 0.423800 -1.7394E+01 -1.6467E+01 3.8127E+00 O6 3196 15.999400 -0.847600 1.3893E+01 -1.0344E+01 6.0147E+00 H1 3197 1.008000 0.423800 1.4341E+01 -9.9055E+00 5.2356E+00 H2 3198 1.008000 0.423800 1.4582E+01 -1.0607E+01 6.6905E+00 O6 3199 15.999400 -0.847600 7.5889E+00 -1.2797E+01 1.0224E+01 H1 3200 1.008000 0.423800 6.9472E+00 -1.3226E+01 9.5888E+00 H2 3201 1.008000 0.423800 7.2478E+00 -1.1893E+01 1.0483E+01 O6 3202 15.999400 -0.847600 1.4284E+01 1.7010E+01 -1.9144E+01 H1 3203 1.008000 0.423800 1.4742E+01 1.7895E+01 -1.9230E+01 H2 3204 1.008000 0.423800 1.4875E+01 1.6292E+01 -1.9510E+01 O6 3205 15.999400 -0.847600 -1.7648E+01 6.1703E+00 1.9034E+01 H1 3206 1.008000 0.423800 -1.6994E+01 6.7480E+00 1.8545E+01 H2 3207 1.008000 0.423800 -1.8423E+01 6.7259E+00 1.9336E+01 O6 3208 15.999400 -0.847600 -1.9270E+00 8.8223E+00 3.3230E+00 H1 3209 1.008000 0.423800 -1.0710E+00 9.1326E+00 2.9094E+00 H2 3210 1.008000 0.423800 -1.9757E+00 7.8244E+00 3.2791E+00 O6 3211 15.999400 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7.6822E+00 1.1731E+01 6.3326E+00 H2 3228 1.008000 0.423800 8.6124E+00 1.0822E+01 7.3204E+00 O6 3229 15.999400 -0.847600 1.0677E+01 -9.3471E+00 -1.0854E+01 H1 3230 1.008000 0.423800 1.1166E+01 -8.6388E+00 -1.0345E+01 H2 3231 1.008000 0.423800 1.0434E+01 -1.0094E+01 -1.0235E+01 O6 3232 15.999400 -0.847600 -7.2330E+00 -5.7271E+00 1.6033E+01 H1 3233 1.008000 0.423800 -8.0131E+00 -6.1374E+00 1.5561E+01 H2 3234 1.008000 0.423800 -6.7196E+00 -6.4404E+00 1.6510E+01 O6 3235 15.999400 -0.847600 1.6658E+01 6.1611E+00 -2.9586E+00 H1 3236 1.008000 0.423800 1.7553E+01 6.6061E+00 -2.9999E+00 H2 3237 1.008000 0.423800 1.6579E+01 5.6516E+00 -2.1019E+00 O6 3238 15.999400 -0.847600 -1.9288E+01 -1.6526E+01 -5.2866E+00 H1 3239 1.008000 0.423800 1.8972E+01 -1.6982E+01 -5.5861E+00 H2 3240 1.008000 0.423800 -1.8933E+01 -1.6982E+01 -4.4704E+00 O6 3241 15.999400 -0.847600 1.7730E+01 5.6100E+00 -1.5320E+01 H1 3242 1.008000 0.423800 1.7233E+01 5.8690E+00 -1.4492E+01 H2 3243 1.008000 0.423800 1.8617E+01 6.0728E+00 -1.5335E+01 O6 3244 15.999400 -0.847600 1.8981E+01 -1.2683E+01 1.9477E+01 H1 3245 1.008000 0.423800 1.9332E+01 -1.2095E+01 -1.8892E+01 H2 3246 1.008000 0.423800 -1.9351E+01 -1.3089E+01 1.8978E+01 O6 3247 15.999400 -0.847600 -1.9347E+00 -1.5269E+01 7.5517E+00 H1 3248 1.008000 0.423800 -1.2990E+00 -1.5749E+01 6.9476E+00 H2 3249 1.008000 0.423800 -1.7289E+00 -1.4290E+01 7.5415E+00 O6 3250 15.999400 -0.847600 -3.5023E+00 -2.1460E+00 6.0503E+00 H1 3251 1.008000 0.423800 -4.4430E+00 -1.8594E+00 5.8688E+00 H2 3252 1.008000 0.423800 -2.8690E+00 -1.4826E+00 5.6517E+00 O6 3253 15.999400 -0.847600 -1.7969E+01 -1.7226E+01 -7.5816E+00 H1 3254 1.008000 0.423800 -1.7541E+01 -1.8002E+01 -7.1180E+00 H2 3255 1.008000 0.423800 -1.8680E+01 -1.6838E+01 -6.9954E+00 O6 3256 15.999400 -0.847600 1.7987E+01 6.1681E-01 1.4679E+01 H1 3257 1.008000 0.423800 1.7667E+01 1.4874E+00 1.5053E+01 H2 3258 1.008000 0.423800 1.8104E+01 7.0173E-01 1.3690E+01 O6 3259 15.999400 -0.847600 -4.9239E+00 1.5658E+01 1.9056E+01 H1 3260 1.008000 0.423800 -5.7793E+00 1.6159E+01 1.8921E+01 H2 3261 1.008000 0.423800 -4.2038E+00 1.6297E+01 1.9328E+01 O6 3262 15.999400 -0.847600 -8.1513E+00 -1.0886E+01 1.2363E+01 H1 3263 1.008000 0.423800 -7.6770E+00 -1.0287E+01 1.1717E+01 H2 3264 1.008000 0.423800 -7.8391E+00 -1.0688E+01 1.3292E+01 O6 3265 15.999400 -0.847600 -5.3761E+00 2.1067E-01 -7.8112E+00 H1 3266 1.008000 0.423800 -4.5545E+00 7.6147E-01 -7.6646E+00 H2 3267 1.008000 0.423800 -5.4368E+00 -4.7293E-02 -8.7754E+00 O6 3268 15.999400 -0.847600 1.2537E+01 -7.6832E+00 1.6351E+01 H1 3269 1.008000 0.423800 1.2071E+01 -7.1036E+00 1.5682E+01 H2 3270 1.008000 0.423800 1.1905E+01 -8.3858E+00 1.6679E+01 O6 3271 15.999400 -0.847600 7.9505E-01 -7.4767E+00 -1.8411E+01 H1 3272 1.008000 0.423800 6.3150E-01 -6.5368E+00 -1.8711E+01 H2 3273 1.008000 0.423800 1.2467E+00 -7.4680E+00 -1.7519E+01 O6 3274 15.999400 -0.847600 -1.8802E+00 -1.2479E+01 1.5315E+01 H1 3275 1.008000 0.423800 -1.4530E+00 -1.1580E+01 1.5418E+01 H2 3276 1.008000 0.423800 -2.4523E+00 -1.2669E+01 1.6113E+01 O6 3277 15.999400 -0.847600 1.2510E+01 9.1207E+00 -1.8486E+01 H1 3278 1.008000 0.423800 1.2162E+01 8.4267E+00 -1.7856E+01 H2 3279 1.008000 0.423800 1.3417E+01 9.4189E+00 -1.8186E+01 O6 3280 15.999400 -0.847600 -7.9498E+00 2.7914E+00 -7.6346E+00 H1 3281 1.008000 0.423800 -8.3669E+00 3.6539E+00 -7.9212E+00 H2 3282 1.008000 0.423800 -7.3094E+00 2.9634E+00 -6.8861E+00 O6 3283 15.999400 -0.847600 -1.4101E+01 5.6609E+00 1.5259E+01 H1 3284 1.008000 0.423800 -1.3157E+01 5.7035E+00 1.4931E+01 H2 3285 1.008000 0.423800 -1.4444E+01 4.7262E+00 1.5166E+01 O6 3286 15.999400 -0.847600 1.6838E+01 -1.0422E+01 -1.8232E+01 H1 3287 1.008000 0.423800 1.7386E+01 -9.6520E+00 -1.8560E+01 H2 3288 1.008000 0.423800 1.7292E+01 -1.1280E+01 -1.8474E+01 O6 3289 15.999400 -0.847600 -1.5155E+01 -1.5418E+01 -1.0004E+00 H1 3290 1.008000 0.423800 -1.4688E+01 -1.4710E+01 -1.5302E+00 H2 3291 1.008000 0.423800 -1.5445E+01 -1.6155E+01 -1.6113E+00 O6 3292 15.999400 -0.847600 4.1111E+00 2.0699E+00 -1.6463E+01 H1 3293 1.008000 0.423800 4.1526E+00 1.2122E+00 -1.5950E+01 H2 3294 1.008000 0.423800 3.6621E+00 2.7691E+00 -1.5906E+01 O6 3295 15.999400 -0.847600 -6.7438E+00 1.2667E+01 1.5435E+01 H1 3296 1.008000 0.423800 -7.2018E+00 1.1809E+01 1.5669E+01 H2 3297 1.008000 0.423800 -6.2557E+00 1.3013E+01 1.6237E+01 O6 3298 15.999400 -0.847600 -1.2481E+01 -1.5258E+00 -2.3436E-01 H1 3299 1.008000 0.423800 -1.3164E+01 -1.7950E+00 4.4520E-01 H2 3300 1.008000 0.423800 -1.1761E+01 -2.2178E+00 -2.7500E-01 O6 3301 15.999400 -0.847600 -1.0691E+01 -7.4574E+00 -9.6505E+00 H1 3302 1.008000 0.423800 -9.8485E+00 -6.9244E+00 -9.5699E+00 H2 3303 1.008000 0.423800 -1.0477E+01 -8.3648E+00 -1.0013E+01 O6 3304 15.999400 -0.847600 -8.8566E+00 -1.1743E+01 3.1275E+00 H1 3305 1.008000 0.423800 -9.7918E+00 -1.1599E+01 3.4516E+00 H2 3306 1.008000 0.423800 -8.2728E+00 -1.2000E+01 3.8976E+00 O6 3307 15.999400 -0.847600 5.1436E+00 1.5795E+00 2.5120E+00 H1 3308 1.008000 0.423800 5.7176E+00 1.3269E+00 1.7331E+00 H2 3309 1.008000 0.423800 5.4153E+00 2.4815E+00 2.8475E+00 O6 3310 15.999400 -0.847600 -1.1448E+01 -3.2153E-01 1.3332E+01 H1 3311 1.008000 0.423800 -1.0682E+01 -3.1712E-02 1.3906E+01 H2 3312 1.008000 0.423800 -1.2141E+01 3.9878E-01 1.3313E+01 O6 3313 15.999400 -0.847600 9.2925E+00 1.5091E+01 1.8123E+01 H1 3314 1.008000 0.423800 9.4636E+00 1.5895E+01 1.8693E+01 H2 3315 1.008000 0.423800 9.5697E+00 1.4267E+01 1.8617E+01 O6 3316 15.999400 -0.847600 -7.6281E+00 -2.5587E-01 7.7434E+00 H1 3317 1.008000 0.423800 -7.9215E+00 6.6658E-01 7.4924E+00 H2 3318 1.008000 0.423800 -8.4246E+00 -7.9731E-01 8.0125E+00 O6 3319 15.999400 -0.847600 -1.5783E+00 1.8751E+01 -1.2066E+01 H1 3320 1.008000 0.423800 -1.7012E+00 -1.9421E+01 -1.1708E+01 H2 3321 1.008000 0.423800 -2.1614E+00 1.8624E+01 -1.2869E+01 O6 3322 15.999400 -0.847600 -7.3073E+00 -3.2477E+00 -8.6056E+00 H1 3323 1.008000 0.423800 -6.5256E+00 -3.8070E+00 -8.8815E+00 H2 3324 1.008000 0.423800 -7.3322E+00 -3.1785E+00 -7.6083E+00 O6 3325 15.999400 -0.847600 1.2878E+01 -2.9868E+00 -1.6463E+01 H1 3326 1.008000 0.423800 1.1891E+01 -2.8234E+00 -1.6450E+01 H2 3327 1.008000 0.423800 1.3086E+01 -3.8116E+00 -1.5938E+01 O6 3328 15.999400 -0.847600 -1.6139E+01 -1.4759E+01 -1.2904E+01 H1 3329 1.008000 0.423800 -1.5526E+01 -1.5229E+01 -1.2270E+01 H2 3330 1.008000 0.423800 -1.5857E+01 -1.3803E+01 -1.2994E+01 O6 3331 15.999400 -0.847600 3.3735E+00 -4.3947E+00 1.7192E+01 H1 3332 1.008000 0.423800 3.6295E+00 -3.9077E+00 1.6357E+01 H2 3333 1.008000 0.423800 4.1878E+00 -4.8075E+00 1.7600E+01 O6 3334 15.999400 -0.847600 5.6758E+00 -1.3364E+00 6.3473E+00 H1 3335 1.008000 0.423800 5.5387E+00 -4.0173E-01 6.6755E+00 H2 3336 1.008000 0.423800 6.1609E+00 -1.3148E+00 5.4732E+00 O6 3337 15.999400 -0.847600 7.2863E+00 -4.0445E+00 1.4356E+01 H1 3338 1.008000 0.423800 8.1280E+00 -4.0578E+00 1.3816E+01 H2 3339 1.008000 0.423800 7.0065E+00 -3.0975E+00 1.4513E+01 O6 3340 15.999400 -0.847600 1.1534E+01 9.6147E-01 1.2952E+01 H1 3341 1.008000 0.423800 1.2453E+01 7.4443E-01 1.3279E+01 H2 3342 1.008000 0.423800 1.1307E+01 1.9044E+00 1.3196E+01 O6 3343 15.999400 -0.847600 1.8619E+01 -1.1944E+01 -9.0232E+00 H1 3344 1.008000 0.423800 1.8598E+01 -1.1372E+01 -8.2033E+00 H2 3345 1.008000 0.423800 1.7694E+01 -1.2029E+01 -9.3939E+00 O6 3346 15.999400 -0.847600 7.4971E+00 -1.2027E+01 -3.5433E+00 H1 3347 1.008000 0.423800 7.8215E+00 -1.1512E+01 -4.3366E+00 H2 3348 1.008000 0.423800 7.0979E+00 -1.2892E+01 -3.8480E+00 O6 3349 15.999400 -0.847600 -8.1588E+00 -8.5610E+00 -6.5739E+00 H1 3350 1.008000 0.423800 -8.6307E+00 -8.2405E+00 -5.7525E+00 H2 3351 1.008000 0.423800 -7.5583E+00 -9.3245E+00 -6.3367E+00 O6 3352 15.999400 -0.847600 6.1654E+00 1.5876E+01 3.9835E+00 H1 3353 1.008000 0.423800 6.9995E+00 1.5641E+01 4.4825E+00 H2 3354 1.008000 0.423800 5.7384E+00 1.6675E+01 4.4061E+00 O6 3355 15.999400 -0.847600 1.4272E+01 -9.9700E+00 -1.0063E+01 H1 3356 1.008000 0.423800 1.4369E+01 -9.0178E+00 -9.7734E+00 H2 3357 1.008000 0.423800 1.3936E+01 -9.9997E+00 -1.1004E+01 O6 3358 15.999400 -0.847600 8.6811E+00 1.9519E+00 -9.7320E+00 H1 3359 1.008000 0.423800 9.4838E+00 1.7832E+00 -9.1599E+00 H2 3360 1.008000 0.423800 8.8719E+00 1.6586E+00 -1.0669E+01 O6 3361 15.999400 -0.847600 6.9047E+00 5.7412E+00 -1.6015E+01 H1 3362 1.008000 0.423800 5.9066E+00 5.7128E+00 -1.6069E+01 H2 3363 1.008000 0.423800 7.2728E+00 6.1492E+00 -1.6850E+01 O6 3364 15.999400 -0.847600 1.2881E+01 1.3306E+01 1.6033E+01 H1 3365 1.008000 0.423800 1.3648E+01 1.3051E+01 1.5445E+01 H2 3366 1.008000 0.423800 1.2441E+01 1.4128E+01 1.5669E+01 O6 3367 15.999400 -0.847600 9.2449E+00 -7.8704E+00 4.7180E+00 H1 3368 1.008000 0.423800 9.8542E+00 -8.4336E+00 4.1599E+00 H2 3369 1.008000 0.423800 8.5014E+00 -7.5191E+00 4.1490E+00 O6 3370 15.999400 -0.847600 4.9154E+00 -3.9325E+00 -4.3948E+00 H1 3371 1.008000 0.423800 5.0133E+00 -4.5377E+00 -5.1849E+00 H2 3372 1.008000 0.423800 4.0339E+00 -3.4628E+00 -4.4420E+00 O6 3373 15.999400 -0.847600 1.2717E+01 5.5518E+00 -2.1662E+00 H1 3374 1.008000 0.423800 1.3137E+01 5.0334E+00 -1.4212E+00 H2 3375 1.008000 0.423800 1.2118E+01 4.9503E+00 -2.6948E+00 O6 3376 15.999400 -0.847600 -9.9169E+00 9.2032E+00 -1.5336E+01 H1 3377 1.008000 0.423800 -1.0708E+01 9.7958E+00 -1.5185E+01 H2 3378 1.008000 0.423800 -1.0001E+01 8.7544E+00 -1.6226E+01 O6 3379 15.999400 -0.847600 7.9129E+00 5.6794E+00 4.9532E+00 H1 3380 1.008000 0.423800 7.6225E+00 6.0462E+00 4.0693E+00 H2 3381 1.008000 0.423800 7.7296E+00 6.3525E+00 5.6697E+00 O6 3382 15.999400 -0.847600 -5.6654E-01 -1.0977E+00 9.3934E+00 H1 3383 1.008000 0.423800 3.1126E-01 -7.2691E-01 9.6968E+00 H2 3384 1.008000 0.423800 -1.1270E+00 -1.3220E+00 1.0191E+01 O6 3385 15.999400 -0.847600 -1.3406E+01 -2.1697E+00 6.3281E+00 H1 3386 1.008000 0.423800 -1.2556E+01 -1.6437E+00 6.2880E+00 H2 3387 1.008000 0.423800 -1.3205E+01 -3.1387E+00 6.1844E+00 O6 3388 15.999400 -0.847600 1.1810E+01 -7.4393E+00 -1.4625E+01 H1 3389 1.008000 0.423800 1.1562E+01 -6.7095E+00 -1.5262E+01 H2 3390 1.008000 0.423800 1.1089E+01 -8.1321E+00 -1.4614E+01 O6 3391 15.999400 -0.847600 -1.0032E+01 1.0975E+01 4.1039E+00 H1 3392 1.008000 0.423800 -9.4411E+00 1.1040E+01 3.2996E+00 H2 3393 1.008000 0.423800 -9.9172E+00 1.0078E+01 4.5303E+00 O6 3394 15.999400 -0.847600 -1.7685E+01 1.6181E+01 5.3102E+00 H1 3395 1.008000 0.423800 -1.6993E+01 1.6904E+01 5.3053E+00 H2 3396 1.008000 0.423800 -1.7262E+01 1.5314E+01 5.0489E+00 O6 3397 15.999400 -0.847600 -1.2806E+01 -2.5744E+00 1.3851E+01 H1 3398 1.008000 0.423800 -1.2246E+01 -1.7679E+00 1.3662E+01 H2 3399 1.008000 0.423800 -1.3696E+01 -2.2866E+00 1.4206E+01 O6 3400 15.999400 -0.847600 -1.3527E+01 5.5495E+00 -1.2272E+01 H1 3401 1.008000 0.423800 -1.2996E+01 6.3955E+00 -1.2323E+01 H2 3402 1.008000 0.423800 -1.3905E+01 5.4485E+00 -1.1352E+01 O6 3403 15.999400 -0.847600 -8.9806E-01 1.5085E+01 -1.3926E+01 H1 3404 1.008000 0.423800 -1.3393E+00 1.4819E+01 -1.3070E+01 H2 3405 1.008000 0.423800 -4.5752E-01 1.5976E+01 -1.3811E+01 O6 3406 15.999400 -0.847600 1.2350E+01 1.8209E+01 -1.5693E+01 H1 3407 1.008000 0.423800 1.2189E+01 1.8097E+01 -1.4712E+01 H2 3408 1.008000 0.423800 1.3273E+01 1.8563E+01 -1.5840E+01 O6 3409 15.999400 -0.847600 -9.4126E+00 -1.4138E+00 4.2774E+00 H1 3410 1.008000 0.423800 -9.4922E+00 -1.1683E+00 3.3112E+00 H2 3411 1.008000 0.423800 -8.8733E+00 -2.2514E+00 4.3650E+00 O6 3412 15.999400 -0.847600 -1.7583E+00 -1.2040E+01 4.9959E+00 H1 3413 1.008000 0.423800 -1.3773E+00 -1.1209E+01 4.5906E+00 H2 3414 1.008000 0.423800 -2.5826E+00 -1.2306E+01 4.4965E+00 O6 3415 15.999400 -0.847600 -1.0200E+00 4.0509E+00 1.3982E+01 H1 3416 1.008000 0.423800 -1.6934E+00 4.1921E+00 1.4707E+01 H2 3417 1.008000 0.423800 -2.6886E-01 3.4893E+00 1.4329E+01 O6 3418 15.999400 -0.847600 1.3997E+01 -1.8637E+01 -3.9595E+00 H1 3419 1.008000 0.423800 1.4230E+01 -1.8089E+01 -4.7624E+00 H2 3420 1.008000 0.423800 1.3569E+01 -1.9492E+01 -4.2528E+00 O6 3421 15.999400 -0.847600 1.6264E+01 -6.1907E+00 1.2487E+01 H1 3422 1.008000 0.423800 1.6452E+01 -5.3646E+00 1.3018E+01 H2 3423 1.008000 0.423800 1.5452E+01 -6.6449E+00 1.2854E+01 O6 3424 15.999400 -0.847600 1.1064E+01 1.1463E+01 1.7622E+01 H1 3425 1.008000 0.423800 1.1709E+01 1.0729E+01 1.7835E+01 H2 3426 1.008000 0.423800 1.1422E+01 1.2012E+01 1.6867E+01 O6 3427 15.999400 -0.847600 -1.8538E+01 -7.0580E+00 -9.9175E+00 H1 3428 1.008000 0.423800 -1.7593E+01 -6.9938E+00 -9.5973E+00 H2 3429 1.008000 0.423800 -1.8979E+01 -6.1644E+00 -9.8354E+00 O6 3430 15.999400 -0.847600 -1.0313E+01 -3.0230E+00 -2.2390E-01 H1 3431 1.008000 0.423800 -9.8535E+00 -3.5739E+00 4.7254E-01 H2 3432 1.008000 0.423800 -9.7623E+00 -3.0128E+00 -1.0583E+00 O6 3433 15.999400 -0.847600 -1.9486E+01 1.7296E+01 -8.9017E+00 H1 3434 1.008000 0.423800 -1.8667E+01 1.6777E+01 -9.1463E+00 H2 3435 1.008000 0.423800 1.9445E+01 1.7214E+01 -7.9190E+00 O6 3436 15.999400 -0.847600 1.1044E+01 -1.6864E+01 -1.6946E+01 H1 3437 1.008000 0.423800 1.0288E+01 -1.6231E+01 -1.7113E+01 H2 3438 1.008000 0.423800 1.0680E+01 -1.7774E+01 -1.6748E+01 O6 3439 15.999400 -0.847600 -1.0374E+01 1.4851E+01 1.5697E+01 H1 3440 1.008000 0.423800 -9.5843E+00 1.4832E+01 1.6310E+01 H2 3441 1.008000 0.423800 -1.0810E+01 1.5749E+01 1.5743E+01 O6 3442 15.999400 -0.847600 -1.2743E+01 5.9420E+00 -1.8727E+01 H1 3443 1.008000 0.423800 -1.3403E+01 5.9160E+00 -1.9477E+01 H2 3444 1.008000 0.423800 -1.1826E+01 5.7590E+00 -1.9083E+01 O6 3445 15.999400 -0.847600 1.7818E+01 -5.8714E+00 -7.6711E+00 H1 3446 1.008000 0.423800 1.7317E+01 -5.6110E+00 -6.8460E+00 H2 3447 1.008000 0.423800 1.7406E+01 -5.4261E+00 -8.4660E+00 O6 3448 15.999400 -0.847600 1.5627E+01 5.1581E+00 1.2918E+01 H1 3449 1.008000 0.423800 1.6584E+01 5.3226E+00 1.2676E+01 H2 3450 1.008000 0.423800 1.5099E+01 5.9947E+00 1.2774E+01 O6 3451 15.999400 -0.847600 -1.7128E+01 -1.7573E+01 -1.9211E+01 H1 3452 1.008000 0.423800 -1.6315E+01 -1.7535E+01 -1.8628E+01 H2 3453 1.008000 0.423800 -1.7947E+01 -1.7482E+01 -1.8645E+01 O6 3454 15.999400 -0.847600 5.7850E+00 1.8803E+01 3.7558E+00 H1 3455 1.008000 0.423800 6.6359E+00 1.9044E+01 4.2223E+00 H2 3456 1.008000 0.423800 5.9117E+00 1.8886E+01 2.7673E+00 O6 3457 15.999400 -0.847600 -1.5295E+01 1.3528E+01 -8.9129E+00 H1 3458 1.008000 0.423800 -1.5447E+01 1.3780E+01 -9.8687E+00 H2 3459 1.008000 0.423800 -1.4578E+01 1.4109E+01 -8.5259E+00 O6 3460 15.999400 -0.847600 -3.6595E+00 -1.0495E+01 1.5123E+00 H1 3461 1.008000 0.423800 -3.7749E+00 -1.1487E+01 1.5620E+00 H2 3462 1.008000 0.423800 -3.9585E+00 -1.0169E+01 6.1541E-01 O6 3463 15.999400 -0.847600 8.6613E+00 8.5262E+00 -2.7375E+00 H1 3464 1.008000 0.423800 9.4756E+00 8.0548E+00 -2.3988E+00 H2 3465 1.008000 0.423800 7.8610E+00 8.2219E+00 -2.2210E+00 O6 3466 15.999400 -0.847600 -1.6960E+01 -5.5963E+00 -1.3871E+01 H1 3467 1.008000 0.423800 -1.6364E+01 -5.5969E+00 -1.4675E+01 H2 3468 1.008000 0.423800 -1.7247E+01 -6.5326E+00 -1.3668E+01 O6 3469 15.999400 -0.847600 -3.9845E+00 -7.3104E-01 1.5697E+01 H1 3470 1.008000 0.423800 -3.5910E+00 1.1219E-01 1.5331E+01 H2 3471 1.008000 0.423800 -3.2601E+00 -1.2874E+00 1.6104E+01 O6 3472 15.999400 -0.847600 -2.8693E+00 6.3753E+00 3.0680E+00 H1 3473 1.008000 0.423800 -2.6443E+00 5.6375E+00 2.4316E+00 H2 3474 1.008000 0.423800 -3.8206E+00 6.6529E+00 2.9336E+00 O6 3475 15.999400 -0.847600 -8.7985E-01 8.1620E+00 1.8754E+01 H1 3476 1.008000 0.423800 -4.7244E-01 7.4387E+00 1.9312E+01 H2 3477 1.008000 0.423800 -6.5978E-01 9.0529E+00 1.9151E+01 O6 3478 15.999400 -0.847600 -1.3617E+01 -3.8402E+00 1.0032E+01 H1 3479 1.008000 0.423800 -1.3154E+01 -4.6736E+00 1.0335E+01 H2 3480 1.008000 0.423800 -1.3018E+01 -3.0536E+00 1.0183E+01 O6 3481 15.999400 -0.847600 -9.7763E+00 1.5064E+01 -9.8439E+00 H1 3482 1.008000 0.423800 -9.3991E+00 1.5768E+01 -9.2422E+00 H2 3483 1.008000 0.423800 -9.9514E+00 1.5456E+01 -1.0747E+01 O6 3484 15.999400 -0.847600 -1.3654E+01 -1.4812E+01 1.1996E+01 H1 3485 1.008000 0.423800 -1.4283E+01 -1.5407E+01 1.1495E+01 H2 3486 1.008000 0.423800 -1.4090E+01 -1.4505E+01 1.2842E+01 O6 3487 15.999400 -0.847600 -1.3794E+01 -1.9438E+01 -2.6816E+00 H1 3488 1.008000 0.423800 -1.3819E+01 -1.8502E+01 -3.0323E+00 H2 3489 1.008000 0.423800 -1.2861E+01 1.9305E+01 -2.7420E+00 O6 3490 15.999400 -0.847600 -1.6021E+01 9.3976E+00 3.3474E+00 H1 3491 1.008000 0.423800 -1.6681E+01 8.6667E+00 3.5224E+00 H2 3492 1.008000 0.423800 -1.5818E+01 9.4360E+00 2.3689E+00 O6 3493 15.999400 -0.847600 1.2240E+01 -1.1553E+01 3.1223E+00 H1 3494 1.008000 0.423800 1.1706E+01 -1.1783E+01 3.9362E+00 H2 3495 1.008000 0.423800 1.1905E+01 -1.2083E+01 2.3432E+00 O6 3496 15.999400 -0.847600 -1.5093E+01 1.2957E+01 1.7564E+01 H1 3497 1.008000 0.423800 -1.5853E+01 1.2364E+01 1.7296E+01 H2 3498 1.008000 0.423800 -1.5163E+01 1.3829E+01 1.7078E+01 O6 3499 15.999400 -0.847600 -1.4074E+01 1.1261E+01 -8.9942E+00 H1 3500 1.008000 0.423800 -1.4598E+01 1.2102E+01 -8.8618E+00 H2 3501 1.008000 0.423800 -1.3126E+01 1.1409E+01 -8.7100E+00 O6 3502 15.999400 -0.847600 -8.4877E+00 -1.3011E+01 -1.8868E+01 H1 3503 1.008000 0.423800 -8.4436E+00 -1.2193E+01 -1.9442E+01 H2 3504 1.008000 0.423800 -8.2954E+00 -1.2763E+01 -1.7919E+01 O6 3505 15.999400 -0.847600 7.4270E+00 -1.0947E+01 -1.6333E+01 H1 3506 1.008000 0.423800 8.4265E+00 -1.0956E+01 -1.6365E+01 H2 3507 1.008000 0.423800 7.1076E+00 -1.0020E+01 -1.6137E+01 O6 3508 15.999400 -0.847600 -1.8552E+01 1.6429E+01 5.5697E-01 H1 3509 1.008000 0.423800 -1.8574E+01 1.5454E+01 7.7500E-01 H2 3510 1.008000 0.423800 -1.7655E+01 1.6667E+01 1.8380E-01 O6 3511 15.999400 -0.847600 -7.0433E-01 -7.8028E+00 2.7706E-01 H1 3512 1.008000 0.423800 1.7289E-01 -7.9624E+00 7.2988E-01 H2 3513 1.008000 0.423800 -6.2045E-01 -8.0157E+00 -6.9640E-01 O6 3514 15.999400 -0.847600 1.1285E+01 -7.4690E-01 5.6553E-01 H1 3515 1.008000 0.423800 1.1869E+01 4.3768E-02 7.4991E-01 H2 3516 1.008000 0.423800 1.1385E+01 -1.4141E+00 1.3037E+00 O6 3517 15.999400 -0.847600 6.5981E+00 -1.8145E+00 -9.5938E+00 H1 3518 1.008000 0.423800 6.2826E+00 -8.9763E-01 -9.8386E+00 H2 3519 1.008000 0.423800 6.6769E+00 -1.8854E+00 -8.5994E+00 O6 3520 15.999400 -0.847600 1.7990E+01 3.0262E+00 1.0449E+01 H1 3521 1.008000 0.423800 1.8112E+01 2.6666E+00 9.5243E+00 H2 3522 1.008000 0.423800 1.7016E+01 3.0511E+00 1.0672E+01 O6 3523 15.999400 -0.847600 -9.9951E+00 7.9121E+00 1.8259E+01 H1 3524 1.008000 0.423800 -1.0271E+01 8.7826E+00 1.7852E+01 H2 3525 1.008000 0.423800 -9.9450E+00 7.2119E+00 1.7547E+01 O6 3526 15.999400 -0.847600 1.8221E+01 1.7074E+01 -1.3136E+01 H1 3527 1.008000 0.423800 1.8864E+01 1.6440E+01 -1.3564E+01 H2 3528 1.008000 0.423800 1.8623E+01 1.7440E+01 -1.2296E+01 O6 3529 15.999400 -0.847600 3.2178E+00 9.8994E-01 -1.9292E+01 H1 3530 1.008000 0.423800 2.2921E+00 8.3429E-01 -1.8947E+01 H2 3531 1.008000 0.423800 3.7619E+00 1.4495E+00 -1.8590E+01 O6 3532 15.999400 -0.847600 4.4351E+00 -1.2734E+01 1.5128E+01 H1 3533 1.008000 0.423800 4.7897E+00 -1.1801E+01 1.5191E+01 H2 3534 1.008000 0.423800 3.6280E+00 -1.2824E+01 1.5712E+01 O6 3535 15.999400 -0.847600 -4.2928E+00 7.5970E+00 9.1593E+00 H1 3536 1.008000 0.423800 -4.2062E+00 7.2486E+00 8.2259E+00 H2 3537 1.008000 0.423800 -5.1570E+00 7.2837E+00 9.5531E+00 O6 3538 15.999400 -0.847600 -1.3074E+01 -1.0301E+01 -3.1447E+00 H1 3539 1.008000 0.423800 -1.2318E+01 -1.0267E+01 -3.7987E+00 H2 3540 1.008000 0.423800 -1.3936E+01 -1.0131E+01 -3.6226E+00 O6 3541 15.999400 -0.847600 1.4369E+01 3.2485E+00 -1.0453E+00 H1 3542 1.008000 0.423800 1.4577E+01 2.5330E+00 -3.7843E-01 H2 3543 1.008000 0.423800 1.4172E+01 2.8305E+00 -1.9320E+00 O6 3544 15.999400 -0.847600 -3.1087E+00 1.6371E+01 -1.4735E+01 H1 3545 1.008000 0.423800 -2.9217E+00 1.7304E+01 -1.5044E+01 H2 3546 1.008000 0.423800 -2.2511E+00 1.5860E+01 -1.4682E+01 O6 3547 15.999400 -0.847600 1.1302E+01 -1.9438E+01 6.5755E+00 H1 3548 1.008000 0.423800 1.1654E+01 1.8736E+01 6.4193E+00 H2 3549 1.008000 0.423800 1.1968E+01 -1.8768E+01 6.2468E+00 O6 3550 15.999400 -0.847600 -2.8496E-01 -8.4543E+00 6.8342E+00 H1 3551 1.008000 0.423800 4.3305E-02 -9.3945E+00 6.9255E+00 H2 3552 1.008000 0.423800 4.5324E-01 -7.8758E+00 6.4873E+00 O6 3553 15.999400 -0.847600 -5.7855E+00 -1.6136E+01 1.5231E+01 H1 3554 1.008000 0.423800 -4.9096E+00 -1.6196E+01 1.5710E+01 H2 3555 1.008000 0.423800 -5.8025E+00 -1.6800E+01 1.4483E+01 O6 3556 15.999400 -0.847600 -2.7401E+00 -1.7848E+01 4.6712E+00 H1 3557 1.008000 0.423800 -2.2052E+00 -1.8572E+01 5.1079E+00 H2 3558 1.008000 0.423800 -3.3876E+00 -1.7468E+01 5.3314E+00 O6 3559 15.999400 -0.847600 1.6010E+01 -2.5228E+00 1.8256E+01 H1 3560 1.008000 0.423800 1.5449E+01 -2.7026E+00 1.9064E+01 H2 3561 1.008000 0.423800 1.5842E+01 -3.2300E+00 1.7569E+01 O6 3562 15.999400 -0.847600 -9.5839E+00 -2.5799E+00 -4.7406E+00 H1 3563 1.008000 0.423800 -9.2023E+00 -2.8717E+00 -3.8636E+00 H2 3564 1.008000 0.423800 -9.2611E+00 -1.6579E+00 -4.9543E+00 O6 3565 15.999400 -0.847600 -6.5888E+00 1.5548E+01 1.1250E+01 H1 3566 1.008000 0.423800 -5.9287E+00 1.6123E+01 1.1733E+01 H2 3567 1.008000 0.423800 -7.4417E+00 1.6055E+01 1.1123E+01 O6 3568 15.999400 -0.847600 8.4151E+00 7.0229E+00 -1.8408E+01 H1 3569 1.008000 0.423800 8.1638E+00 6.7741E+00 -1.9344E+01 H2 3570 1.008000 0.423800 8.2073E+00 7.9886E+00 -1.8253E+01 O6 3571 15.999400 -0.847600 -1.2172E+01 -8.5034E+00 -7.5141E+00 H1 3572 1.008000 0.423800 -1.2695E+01 -9.3395E+00 -7.6791E+00 H2 3573 1.008000 0.423800 -1.1855E+01 -8.1310E+00 -8.3864E+00 O6 3574 15.999400 -0.847600 -1.0475E+01 -6.0383E+00 -1.5560E+01 H1 3575 1.008000 0.423800 -1.0911E+01 -5.1394E+00 -1.5603E+01 H2 3576 1.008000 0.423800 -1.0224E+01 -6.3317E+00 -1.6482E+01 O6 3577 15.999400 -0.847600 -8.3005E+00 -1.1550E+01 6.6096E+00 H1 3578 1.008000 0.423800 -7.4578E+00 -1.1448E+01 6.0810E+00 H2 3579 1.008000 0.423800 -8.7200E+00 -1.2434E+01 6.4009E+00 O6 3580 15.999400 -0.847600 -5.9544E+00 6.9300E+00 2.3017E+00 H1 3581 1.008000 0.423800 -6.8149E+00 6.5330E+00 2.6211E+00 H2 3582 1.008000 0.423800 -5.9545E+00 7.9138E+00 2.4807E+00 O6 3583 15.999400 -0.847600 -1.1947E+01 3.6319E+00 -1.4740E+01 H1 3584 1.008000 0.423800 -1.2121E+01 4.5698E+00 -1.5040E+01 H2 3585 1.008000 0.423800 -1.1438E+01 3.6466E+00 -1.3879E+01 O6 3586 15.999400 -0.847600 -2.4374E+00 6.0234E+00 -4.8406E+00 H1 3587 1.008000 0.423800 -1.6024E+00 6.5556E+00 -4.9803E+00 H2 3588 1.008000 0.423800 -2.2523E+00 5.2734E+00 -4.2056E+00 O6 3589 15.999400 -0.847600 7.1565E+00 1.6648E+00 8.4409E+00 H1 3590 1.008000 0.423800 7.2456E+00 1.1281E+00 9.2800E+00 H2 3591 1.008000 0.423800 7.4823E+00 2.5959E+00 8.6047E+00 O6 3592 15.999400 -0.847600 -1.9098E+01 -7.7583E+00 -1.7810E+01 H1 3593 1.008000 0.423800 1.9333E+01 -8.1565E+00 -1.8440E+01 H2 3594 1.008000 0.423800 -1.9547E+01 -7.5402E+00 -1.6944E+01 O6 3595 15.999400 -0.847600 -1.0925E+01 -1.3420E+01 -7.3221E-01 H1 3596 1.008000 0.423800 -1.0263E+01 -1.3778E+01 -7.3286E-02 H2 3597 1.008000 0.423800 -1.1703E+01 -1.3025E+01 -2.4280E-01 O6 3598 15.999400 -0.847600 -1.0342E+01 1.7642E+01 -1.1375E+01 H1 3599 1.008000 0.423800 -9.8721E+00 1.8498E+01 -1.1160E+01 H2 3600 1.008000 0.423800 -1.0240E+01 1.7442E+01 -1.2350E+01 O6 3601 15.999400 -0.847600 1.8382E+01 8.8129E+00 -1.1450E-01 H1 3602 1.008000 0.423800 1.9070E+01 9.5382E+00 -1.2159E-01 H2 3603 1.008000 0.423800 1.7625E+01 9.0776E+00 4.8315E-01 O6 3604 15.999400 -0.847600 -1.9224E+01 1.8680E+01 -1.1399E+01 H1 3605 1.008000 0.423800 -1.9316E+01 1.8077E+01 -1.0607E+01 H2 3606 1.008000 0.423800 1.9522E+01 -1.9510E+01 -1.1169E+01 O6 3607 15.999400 -0.847600 9.7502E+00 -5.2709E+00 -1.0972E+01 H1 3608 1.008000 0.423800 9.7726E+00 -4.5384E+00 -1.0291E+01 H2 3609 1.008000 0.423800 9.9071E+00 -4.8858E+00 -1.1881E+01 O6 3610 15.999400 -0.847600 1.4467E+01 6.8991E+00 -5.5356E-01 H1 3611 1.008000 0.423800 1.3840E+01 6.6587E+00 -1.2947E+00 H2 3612 1.008000 0.423800 1.5189E+01 6.2104E+00 -4.9150E-01 O6 3613 15.999400 -0.847600 -1.0864E+01 7.0484E+00 1.7402E+00 H1 3614 1.008000 0.423800 -1.1631E+01 6.7958E+00 1.1505E+00 H2 3615 1.008000 0.423800 -1.1179E+01 7.6892E+00 2.4404E+00 O6 3616 15.999400 -0.847600 -9.3586E+00 1.4801E+01 -2.8782E+00 H1 3617 1.008000 0.423800 -8.3944E+00 1.5054E+01 -2.9580E+00 H2 3618 1.008000 0.423800 -9.5471E+00 1.4016E+01 -3.4681E+00 O6 3619 15.999400 -0.847600 -6.7678E+00 -1.5745E+01 -6.5758E+00 H1 3620 1.008000 0.423800 -7.2053E+00 -1.4864E+01 -6.3908E+00 H2 3621 1.008000 0.423800 -6.5685E+00 -1.6206E+01 -5.7112E+00 O6 3622 15.999400 -0.847600 -1.6660E+01 -1.5929E+01 1.1855E+01 H1 3623 1.008000 0.423800 -1.6681E+01 -1.5101E+01 1.1295E+01 H2 3624 1.008000 0.423800 -1.6880E+01 -1.6722E+01 1.1287E+01 O6 3625 15.999400 -0.847600 9.1640E+00 -1.3995E+01 -1.4970E+01 H1 3626 1.008000 0.423800 8.4541E+00 -1.3358E+01 -1.5271E+01 H2 3627 1.008000 0.423800 9.5026E+00 -1.4513E+01 -1.5755E+01 O6 3628 15.999400 -0.847600 -1.2920E+01 1.4887E+01 -8.1299E+00 H1 3629 1.008000 0.423800 -1.1940E+01 1.4942E+01 -8.3235E+00 H2 3630 1.008000 0.423800 -1.3205E+01 1.5700E+01 -7.6210E+00 O6 3631 15.999400 -0.847600 1.6117E+01 -3.4664E+00 1.1056E+01 H1 3632 1.008000 0.423800 1.5346E+01 -2.8520E+00 1.1224E+01 H2 3633 1.008000 0.423800 1.5794E+01 -4.4126E+00 1.1050E+01 O6 3634 15.999400 -0.847600 1.6603E+01 1.0905E+01 1.2128E+01 H1 3635 1.008000 0.423800 1.5751E+01 1.1359E+01 1.2390E+01 H2 3636 1.008000 0.423800 1.6661E+01 1.0858E+01 1.1131E+01 O6 3637 15.999400 -0.847600 8.6295E+00 -7.6899E+00 1.8242E+01 H1 3638 1.008000 0.423800 8.4286E+00 -7.1349E+00 1.7434E+01 H2 3639 1.008000 0.423800 7.9633E+00 -8.4326E+00 1.8310E+01 O6 3640 15.999400 -0.847600 1.0080E+01 8.2030E-01 1.0249E+01 H1 3641 1.008000 0.423800 1.0530E+01 6.3340E-01 1.1122E+01 H2 3642 1.008000 0.423800 9.0947E+00 6.8072E-01 1.0345E+01 O6 3643 15.999400 -0.847600 9.3663E+00 1.0371E+01 -6.4868E+00 H1 3644 1.008000 0.423800 8.3961E+00 1.0152E+01 -6.5894E+00 H2 3645 1.008000 0.423800 9.6307E+00 1.1044E+01 -7.1780E+00 O6 3646 15.999400 -0.847600 1.0086E+01 -6.3616E+00 1.2051E+01 H1 3647 1.008000 0.423800 9.2979E+00 -6.7931E+00 1.2491E+01 H2 3648 1.008000 0.423800 9.8235E+00 -6.0355E+00 1.1143E+01 O6 3649 15.999400 -0.847600 1.6377E+01 1.7311E+01 1.7510E+00 H1 3650 1.008000 0.423800 1.5823E+01 1.6571E+01 1.3696E+00 H2 3651 1.008000 0.423800 1.7330E+01 1.7194E+01 1.4702E+00 O6 3652 15.999400 -0.847600 -7.9444E+00 -1.8320E+01 -1.8485E+01 H1 3653 1.008000 0.423800 -7.3910E+00 -1.7529E+01 -1.8748E+01 H2 3654 1.008000 0.423800 -8.4116E+00 -1.8682E+01 -1.9292E+01 O6 3655 15.999400 -0.847600 -5.2590E+00 -1.3136E+01 1.9254E+01 H1 3656 1.008000 0.423800 -5.8365E+00 -1.3153E+01 -1.9027E+01 H2 3657 1.008000 0.423800 -5.6934E+00 -1.3668E+01 1.8528E+01 O6 3658 15.999400 -0.847600 1.3853E+01 -1.6908E+01 6.0885E+00 H1 3659 1.008000 0.423800 1.3288E+01 -1.6266E+01 6.6060E+00 H2 3660 1.008000 0.423800 1.4699E+01 -1.7086E+01 6.5905E+00 O6 3661 15.999400 -0.847600 7.8863E+00 -1.8431E+01 1.7133E+01 H1 3662 1.008000 0.423800 7.3476E+00 -1.8149E+01 1.7927E+01 H2 3663 1.008000 0.423800 7.3073E+00 -1.8952E+01 1.6506E+01 O6 3664 15.999400 -0.847600 -5.8105E-01 8.3545E+00 -1.1700E+01 H1 3665 1.008000 0.423800 -1.0676E+00 9.2281E+00 -1.1708E+01 H2 3666 1.008000 0.423800 -1.1630E+00 7.6453E+00 -1.2098E+01 O6 3667 15.999400 -0.847600 -1.5709E+01 -1.3184E+01 1.8289E+01 H1 3668 1.008000 0.423800 -1.6258E+01 -1.3391E+01 1.7480E+01 H2 3669 1.008000 0.423800 -1.6185E+01 -1.3510E+01 1.9107E+01 O6 3670 15.999400 -0.847600 6.8249E+00 6.1451E+00 1.4011E+01 H1 3671 1.008000 0.423800 5.9609E+00 6.6472E+00 1.4049E+01 H2 3672 1.008000 0.423800 6.6415E+00 5.1801E+00 1.3823E+01 O6 3673 15.999400 -0.847600 9.4390E+00 1.7198E+01 1.4617E+01 H1 3674 1.008000 0.423800 9.5666E+00 1.7990E+01 1.5214E+01 H2 3675 1.008000 0.423800 8.8269E+00 1.6542E+01 1.5059E+01 O6 3676 15.999400 -0.847600 1.8902E+01 1.1059E+00 4.9057E+00 H1 3677 1.008000 0.423800 1.8951E+01 1.7568E+00 4.1482E+00 H2 3678 1.008000 0.423800 1.8823E+01 1.6044E+00 5.7689E+00 O6 3679 15.999400 -0.847600 -1.3474E+01 -1.4011E+01 -1.6016E+01 H1 3680 1.008000 0.423800 -1.3509E+01 -1.4523E+01 -1.6874E+01 H2 3681 1.008000 0.423800 -1.2657E+01 -1.4275E+01 -1.5503E+01 O6 3682 15.999400 -0.847600 -1.6131E+01 -8.0065E+00 1.4470E+01 H1 3683 1.008000 0.423800 -1.7086E+01 -7.8550E+00 1.4217E+01 H2 3684 1.008000 0.423800 -1.5601E+01 -8.2332E+00 1.3653E+01 O6 3685 15.999400 -0.847600 -1.3374E+01 1.3358E+00 -1.4109E+00 H1 3686 1.008000 0.423800 -1.3117E+01 8.4213E-01 -5.8011E-01 H2 3687 1.008000 0.423800 -1.2610E+01 1.3219E+00 -2.0565E+00 O6 3688 15.999400 -0.847600 -2.1259E+00 4.9510E+00 5.3197E+00 H1 3689 1.008000 0.423800 -1.1350E+00 5.0829E+00 5.3448E+00 H2 3690 1.008000 0.423800 -2.4769E+00 5.2313E+00 4.4262E+00 O6 3691 15.999400 -0.847600 -1.4523E+01 4.9695E+00 8.4812E+00 H1 3692 1.008000 0.423800 -1.3901E+01 4.5825E+00 9.1613E+00 H2 3693 1.008000 0.423800 -1.3998E+01 5.4773E+00 7.7987E+00 O6 3694 15.999400 -0.847600 5.0946E-01 -1.6099E+01 1.6813E+01 H1 3695 1.008000 0.423800 1.1307E+00 -1.6728E+01 1.7280E+01 H2 3696 1.008000 0.423800 -1.6533E-01 -1.5752E+01 1.7464E+01 O6 3697 15.999400 -0.847600 9.4986E+00 -6.0360E+00 9.2167E+00 H1 3698 1.008000 0.423800 8.9302E+00 -5.7332E+00 8.4517E+00 H2 3699 1.008000 0.423800 1.0220E+01 -6.6402E+00 8.8775E+00 O6 3700 15.999400 -0.847600 1.8904E+01 -2.6399E+00 -7.6483E+00 H1 3701 1.008000 0.423800 -1.9406E+01 -3.2546E+00 -7.6098E+00 H2 3702 1.008000 0.423800 1.9086E+01 -1.8295E+00 -7.0914E+00 O6 3703 15.999400 -0.847600 -1.0046E+01 -1.6980E+01 1.2394E+01 H1 3704 1.008000 0.423800 -9.0624E+00 -1.6823E+01 1.2481E+01 H2 3705 1.008000 0.423800 -1.0537E+01 -1.6127E+01 1.2570E+01 O6 3706 15.999400 -0.847600 1.9265E+01 -1.9477E+01 -1.8206E+01 H1 3707 1.008000 0.423800 -1.9083E+01 1.9315E+01 -1.7618E+01 H2 3708 1.008000 0.423800 1.9008E+01 -1.8543E+01 -1.7959E+01 O6 3709 15.999400 -0.847600 -1.3105E+01 1.1636E+01 8.8730E+00 H1 3710 1.008000 0.423800 -1.3654E+01 1.2141E+01 8.2068E+00 H2 3711 1.008000 0.423800 -1.3502E+01 1.1746E+01 9.7840E+00 O6 3712 15.999400 -0.847600 5.8379E-01 1.5188E+01 1.0466E+01 H1 3713 1.008000 0.423800 6.3996E-01 1.4864E+01 1.1410E+01 H2 3714 1.008000 0.423800 1.4478E+00 1.5003E+01 9.9978E+00 O6 3715 15.999400 -0.847600 -1.1088E+01 1.9412E+01 8.9196E+00 H1 3716 1.008000 0.423800 -1.1401E+01 1.8468E+01 9.0225E+00 H2 3717 1.008000 0.423800 -1.1794E+01 -1.9062E+01 9.2544E+00 O6 3718 15.999400 -0.847600 2.1267E+00 -1.7966E+01 1.3188E+01 H1 3719 1.008000 0.423800 1.6220E+00 -1.7104E+01 1.3226E+01 H2 3720 1.008000 0.423800 2.3776E+00 -1.8164E+01 1.2241E+01 O6 3721 15.999400 -0.847600 1.8088E+01 -1.8084E+01 -1.0352E+01 H1 3722 1.008000 0.423800 1.7541E+01 -1.7329E+01 -1.0714E+01 H2 3723 1.008000 0.423800 1.9058E+01 -1.7841E+01 -1.0391E+01 O6 3724 15.999400 -0.847600 -2.3796E+00 -4.3805E+00 -3.6337E-01 H1 3725 1.008000 0.423800 -1.5230E+00 -3.9966E+00 -7.0819E-01 H2 3726 1.008000 0.423800 -2.2441E+00 -4.7127E+00 5.7002E-01 O6 3727 15.999400 -0.847600 1.0645E+00 1.6689E+01 -1.7159E+01 H1 3728 1.008000 0.423800 1.6267E+00 1.5908E+01 -1.7432E+01 H2 3729 1.008000 0.423800 1.2492E-01 1.6548E+01 -1.7471E+01 O6 3730 15.999400 -0.847600 2.9062E-01 6.2633E+00 -1.8642E+01 H1 3731 1.008000 0.423800 -1.5856E-01 5.5289E+00 -1.8133E+01 H2 3732 1.008000 0.423800 5.5936E-01 6.9904E+00 -1.8010E+01 O6 3733 15.999400 -0.847600 -3.7514E-01 1.7727E+01 9.8459E+00 H1 3734 1.008000 0.423800 -2.4708E-01 1.6756E+01 1.0050E+01 H2 3735 1.008000 0.423800 -2.5457E-01 1.7880E+01 8.8651E+00 O6 3736 15.999400 -0.847600 9.4146E+00 6.8624E+00 1.1648E+01 H1 3737 1.008000 0.423800 9.6454E+00 6.4847E+00 1.0751E+01 H2 3738 1.008000 0.423800 8.6715E+00 6.3295E+00 1.2053E+01 O6 3739 15.999400 -0.847600 1.4649E+00 5.4166E-01 4.6215E+00 H1 3740 1.008000 0.423800 1.0318E+00 -6.7560E-03 5.3369E+00 H2 3741 1.008000 0.423800 7.6247E-01 9.0914E-01 4.0121E+00 O6 3742 15.999400 -0.847600 1.0204E+01 -1.5779E+01 3.0377E+00 H1 3743 1.008000 0.423800 1.0425E+01 -1.6317E+01 2.2239E+00 H2 3744 1.008000 0.423800 1.1010E+01 -1.5261E+01 3.3236E+00 O6 3745 15.999400 -0.847600 -1.6673E+01 -1.2146E+01 4.2933E+00 H1 3746 1.008000 0.423800 -1.6971E+01 -1.2378E+01 3.3674E+00 H2 3747 1.008000 0.423800 -1.7320E+01 -1.2523E+01 4.9560E+00 O6 3748 15.999400 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-1.3582E+01 -1.1009E+01 -1.2209E+01 H2 3765 1.008000 0.423800 -1.2431E+01 -9.8669E+00 -1.2399E+01 O6 3766 15.999400 -0.847600 1.1174E+01 -3.1685E+00 -9.3658E+00 H1 3767 1.008000 0.423800 1.0829E+01 -3.2604E+00 -8.4316E+00 H2 3768 1.008000 0.423800 1.2139E+01 -3.4276E+00 -9.3917E+00 O6 3769 15.999400 -0.847600 -3.8797E+00 6.2901E+00 -2.3128E+00 H1 3770 1.008000 0.423800 -3.6900E+00 5.3112E+00 -2.2371E+00 H2 3771 1.008000 0.423800 -4.2967E+00 6.4811E+00 -3.2014E+00 O6 3772 15.999400 -0.847600 -8.5986E+00 -5.8173E+00 -1.3611E+01 H1 3773 1.008000 0.423800 -8.2374E+00 -4.8883E+00 -1.3531E+01 H2 3774 1.008000 0.423800 -9.3522E+00 -5.8266E+00 -1.4268E+01 O6 3775 15.999400 -0.847600 -1.2778E+01 8.1947E+00 -1.2486E+01 H1 3776 1.008000 0.423800 -1.3044E+01 8.4475E+00 -1.3416E+01 H2 3777 1.008000 0.423800 -1.1790E+01 8.0449E+00 -1.2450E+01 O6 3778 15.999400 -0.847600 -2.5853E+00 -9.7887E+00 -1.5808E+01 H1 3779 1.008000 0.423800 -3.1812E+00 -9.6383E+00 -1.6597E+01 H2 3780 1.008000 0.423800 -2.5253E+00 -8.9476E+00 -1.5271E+01 O6 3781 15.999400 -0.847600 -4.5436E+00 -1.1913E+01 -8.2539E+00 H1 3782 1.008000 0.423800 -4.8760E+00 -1.1778E+01 -9.1873E+00 H2 3783 1.008000 0.423800 -4.7077E+00 -1.2860E+01 -7.9754E+00 O6 3784 15.999400 -0.847600 -1.2846E+01 -4.3281E+00 -7.4288E+00 H1 3785 1.008000 0.423800 -1.2679E+01 -3.3777E+00 -7.6912E+00 H2 3786 1.008000 0.423800 -1.3106E+01 -4.8563E+00 -8.2372E+00 O6 3787 15.999400 -0.847600 1.2832E+01 1.6441E+01 1.0421E+00 H1 3788 1.008000 0.423800 1.2033E+01 1.6879E+01 1.4546E+00 H2 3789 1.008000 0.423800 1.3042E+01 1.6885E+01 1.7073E-01 O6 3790 15.999400 -0.847600 -7.9635E+00 1.0220E+01 1.5484E+01 H1 3791 1.008000 0.423800 -7.5981E+00 9.4863E+00 1.4911E+01 H2 3792 1.008000 0.423800 -8.7353E+00 9.8730E+00 1.6017E+01 O6 3793 15.999400 -0.847600 -5.2820E+00 -9.8580E+00 1.6660E+01 H1 3794 1.008000 0.423800 -4.6611E+00 -1.0538E+01 1.6270E+01 H2 3795 1.008000 0.423800 -5.5586E+00 -1.0147E+01 1.7577E+01 O6 3796 15.999400 -0.847600 3.9005E+00 4.4321E+00 -1.8941E+01 H1 3797 1.008000 0.423800 3.0278E+00 3.9685E+00 -1.9094E+01 H2 3798 1.008000 0.423800 4.0507E+00 4.5442E+00 -1.7959E+01 O6 3799 15.999400 -0.847600 1.9618E+00 6.4055E+00 1.3927E+01 H1 3800 1.008000 0.423800 1.4049E+00 6.9248E+00 1.4575E+01 H2 3801 1.008000 0.423800 2.3947E+00 7.0344E+00 1.3281E+01 O6 3802 15.999400 -0.847600 1.5268E+01 -7.0810E+00 1.6937E+01 H1 3803 1.008000 0.423800 1.5963E+01 -7.7657E+00 1.6718E+01 H2 3804 1.008000 0.423800 1.4370E+01 -7.4128E+00 1.6646E+01 O6 3805 15.999400 -0.847600 -2.0022E-02 4.3437E+00 2.0508E+00 H1 3806 1.008000 0.423800 -1.2299E-01 4.8728E+00 2.8931E+00 H2 3807 1.008000 0.423800 -2.9009E-02 4.9625E+00 1.2653E+00 O6 3808 15.999400 -0.847600 -1.2420E+01 -1.5134E+01 -1.8481E+01 H1 3809 1.008000 0.423800 -1.2874E+01 -1.5152E+01 -1.9372E+01 H2 3810 1.008000 0.423800 -1.1928E+01 -1.5993E+01 -1.8340E+01 O6 3811 15.999400 -0.847600 -2.1544E+00 1.2362E+01 -5.6891E+00 H1 3812 1.008000 0.423800 -2.0313E+00 1.3347E+01 -5.5647E+00 H2 3813 1.008000 0.423800 -2.0314E+00 1.1897E+01 -4.8122E+00 O6 3814 15.999400 -0.847600 -1.6544E+01 -1.5904E+01 6.3577E+00 H1 3815 1.008000 0.423800 -1.7226E+01 -1.6243E+01 7.0058E+00 H2 3816 1.008000 0.423800 -1.6651E+01 -1.6378E+01 5.4838E+00 O6 3817 15.999400 -0.847600 -8.8456E+00 -1.8272E+01 9.7322E+00 H1 3818 1.008000 0.423800 -9.7091E+00 -1.8775E+01 9.6979E+00 H2 3819 1.008000 0.423800 -8.8353E+00 -1.7682E+01 1.0540E+01 O6 3820 15.999400 -0.847600 -1.2914E+01 1.0115E+00 9.6251E+00 H1 3821 1.008000 0.423800 -1.3585E+01 4.7257E-01 9.1149E+00 H2 3822 1.008000 0.423800 -1.3316E+01 1.8922E+00 9.8759E+00 O6 3823 15.999400 -0.847600 1.8903E+01 -6.1626E+00 1.1798E+01 H1 3824 1.008000 0.423800 1.7909E+01 -6.2110E+00 1.1899E+01 H2 3825 1.008000 0.423800 1.9337E+01 -6.7121E+00 1.2512E+01 O6 3826 15.999400 -0.847600 4.9454E+00 1.1913E+01 5.0272E+00 H1 3827 1.008000 0.423800 4.2833E+00 1.1175E+01 4.8955E+00 H2 3828 1.008000 0.423800 4.8768E+00 1.2561E+01 4.2692E+00 O6 3829 15.999400 -0.847600 -8.3241E+00 5.6485E+00 5.7444E+00 H1 3830 1.008000 0.423800 -9.1310E+00 5.1760E+00 6.0989E+00 H2 3831 1.008000 0.423800 -8.3553E+00 5.6572E+00 4.7449E+00 O6 3832 15.999400 -0.847600 -1.2991E+01 1.8100E+00 1.3566E+01 H1 3833 1.008000 0.423800 -1.3684E+01 2.4463E+00 1.3226E+01 H2 3834 1.008000 0.423800 -1.2358E+01 2.2965E+00 1.4168E+01 O6 3835 15.999400 -0.847600 2.5954E+00 -2.8993E+00 -1.2036E+01 H1 3836 1.008000 0.423800 1.8207E+00 -2.6969E+00 -1.1437E+01 H2 3837 1.008000 0.423800 2.9590E+00 -3.8046E+00 -1.1817E+01 O6 3838 15.999400 -0.847600 -1.6455E+01 1.0199E+01 -1.3606E+01 H1 3839 1.008000 0.423800 -1.5925E+01 1.1039E+01 -1.3719E+01 H2 3840 1.008000 0.423800 -1.6238E+01 9.7842E+00 -1.2722E+01 O6 3841 15.999400 -0.847600 -1.5012E+01 3.3109E+00 1.2339E+01 H1 3842 1.008000 0.423800 -1.5528E+01 3.2105E+00 1.3189E+01 H2 3843 1.008000 0.423800 -1.5534E+01 2.9164E+00 1.1583E+01 O6 3844 15.999400 -0.847600 5.0385E+00 1.4404E+01 -1.2163E+01 H1 3845 1.008000 0.423800 4.4692E+00 1.4261E+01 -1.1354E+01 H2 3846 1.008000 0.423800 5.3074E+00 1.3518E+01 -1.2543E+01 O6 3847 15.999400 -0.847600 1.6956E+01 -1.7700E+01 2.4571E+00 H1 3848 1.008000 0.423800 1.6686E+01 -1.7435E+01 3.3829E+00 H2 3849 1.008000 0.423800 1.6270E+01 -1.8317E+01 2.0732E+00 O6 3850 15.999400 -0.847600 1.0063E+01 -1.9470E+01 -1.6364E+01 H1 3851 1.008000 0.423800 9.6652E+00 -1.9292E+01 -1.5464E+01 H2 3852 1.008000 0.423800 1.0627E+01 1.8803E+01 -1.6322E+01 O6 3853 15.999400 -0.847600 -1.1155E+01 -1.4480E+01 1.3106E+01 H1 3854 1.008000 0.423800 -1.0553E+01 -1.4105E+01 1.2401E+01 H2 3855 1.008000 0.423800 -1.2062E+01 -1.4642E+01 1.2718E+01 O6 3856 15.999400 -0.847600 -1.0054E+01 2.7845E+00 5.6523E-01 H1 3857 1.008000 0.423800 -9.6060E+00 2.8868E+00 1.4533E+00 H2 3858 1.008000 0.423800 -1.1043E+01 2.7187E+00 6.9679E-01 O6 3859 15.999400 -0.847600 3.1860E+00 2.2120E+00 1.3178E+01 H1 3860 1.008000 0.423800 3.7738E+00 1.8260E+00 1.2467E+01 H2 3861 1.008000 0.423800 3.5470E+00 1.9674E+00 1.4078E+01 O6 3862 15.999400 -0.847600 1.2955E+01 -1.7735E+01 1.9249E+01 H1 3863 1.008000 0.423800 1.2299E+01 -1.7061E+01 1.8909E+01 H2 3864 1.008000 0.423800 1.2788E+01 -1.8616E+01 1.8805E+01 O6 3865 15.999400 -0.847600 -7.1148E+00 -8.7526E+00 -9.3662E+00 H1 3866 1.008000 0.423800 -7.1940E+00 -8.4454E+00 -8.4178E+00 H2 3867 1.008000 0.423800 -7.9240E+00 -9.2860E+00 -9.6124E+00 O6 3868 15.999400 -0.847600 8.5582E+00 -1.0427E+01 -5.6155E+00 H1 3869 1.008000 0.423800 8.8784E+00 -1.0243E+01 -6.5447E+00 H2 3870 1.008000 0.423800 9.3443E+00 -1.0519E+01 -5.0042E+00 O6 3871 15.999400 -0.847600 1.3933E+01 1.7648E+01 -4.9186E+00 H1 3872 1.008000 0.423800 1.3713E+01 1.6718E+01 -5.2132E+00 H2 3873 1.008000 0.423800 1.4536E+01 1.8076E+01 -5.5914E+00 O6 3874 15.999400 -0.847600 1.6735E+01 -5.4579E+00 -5.2426E+00 H1 3875 1.008000 0.423800 1.6869E+01 -4.4681E+00 -5.1951E+00 H2 3876 1.008000 0.423800 1.7618E+01 -5.9184E+00 -5.1588E+00 O6 3877 15.999400 -0.847600 5.9746E+00 3.8398E+00 5.4243E+00 H1 3878 1.008000 0.423800 6.7970E+00 4.1372E+00 4.9393E+00 H2 3879 1.008000 0.423800 5.3823E+00 4.6282E+00 5.5904E+00 O6 3880 15.999400 -0.847600 -1.4758E+01 2.6794E+00 -5.7005E+00 H1 3881 1.008000 0.423800 -1.4420E+01 3.5543E+00 -5.3540E+00 H2 3882 1.008000 0.423800 -1.5107E+01 2.8014E+00 -6.6297E+00 O6 3883 15.999400 -0.847600 -4.9603E+00 2.4966E+00 5.5862E+00 H1 3884 1.008000 0.423800 -4.3105E+00 3.2205E+00 5.3540E+00 H2 3885 1.008000 0.423800 -4.9685E+00 2.3614E+00 6.5769E+00 O6 3886 15.999400 -0.847600 7.9764E+00 -1.6093E+01 -1.3466E+01 H1 3887 1.008000 0.423800 7.0701E+00 -1.5707E+01 -1.3293E+01 H2 3888 1.008000 0.423800 8.4602E+00 -1.5521E+01 -1.4129E+01 O6 3889 15.999400 -0.847600 -1.1852E+01 1.1748E+01 -7.5323E+00 H1 3890 1.008000 0.423800 -1.2202E+01 1.2448E+01 -6.9102E+00 H2 3891 1.008000 0.423800 -1.0998E+01 1.2066E+01 -7.9445E+00 O6 3892 15.999400 -0.847600 1.0332E+01 -1.1445E+01 9.9225E+00 H1 3893 1.008000 0.423800 9.3949E+00 -1.1540E+01 9.5854E+00 H2 3894 1.008000 0.423800 1.0894E+01 -1.1003E+01 9.2240E+00 O6 3895 15.999400 -0.847600 1.6287E+01 6.8928E+00 -1.3150E+01 H1 3896 1.008000 0.423800 1.5459E+01 6.3761E+00 -1.3368E+01 H2 3897 1.008000 0.423800 1.6074E+01 7.5910E+00 -1.2466E+01 O6 3898 15.999400 -0.847600 1.1505E+01 2.4265E+00 -1.3924E+01 H1 3899 1.008000 0.423800 1.0930E+01 3.1319E+00 -1.3510E+01 H2 3900 1.008000 0.423800 1.1850E+01 2.7525E+00 -1.4804E+01 O6 3901 15.999400 -0.847600 3.2587E-01 -3.7302E+00 -2.7449E-01 H1 3902 1.008000 0.423800 1.1127E+00 -3.3253E+00 1.9130E-01 H2 3903 1.008000 0.423800 5.4430E-01 -4.6682E+00 -5.4344E-01 O6 3904 15.999400 -0.847600 -1.4392E+01 1.2151E+01 -1.3802E+01 H1 3905 1.008000 0.423800 -1.4274E+01 1.3117E+01 -1.3573E+01 H2 3906 1.008000 0.423800 -1.4438E+01 1.2047E+01 -1.4796E+01 O6 3907 15.999400 -0.847600 1.9437E+01 1.2138E+01 5.0494E+00 H1 3908 1.008000 0.423800 -1.8876E+01 1.1968E+01 4.4532E+00 H2 3909 1.008000 0.423800 -1.9347E+01 1.2551E+01 5.9044E+00 O6 3910 15.999400 -0.847600 9.7031E+00 -1.3992E+01 -3.6484E+00 H1 3911 1.008000 0.423800 9.1372E+00 -1.4710E+01 -3.2432E+00 H2 3912 1.008000 0.423800 9.2745E+00 -1.3102E+01 -3.4922E+00 O6 3913 15.999400 -0.847600 -3.8734E+00 1.8416E+01 -1.0288E+01 H1 3914 1.008000 0.423800 -3.4898E+00 1.9047E+01 -1.0963E+01 H2 3915 1.008000 0.423800 -4.7874E+00 1.8133E+01 -1.0578E+01 O6 3916 15.999400 -0.847600 1.1187E+00 8.9502E+00 1.0549E+01 H1 3917 1.008000 0.423800 4.4465E-01 9.2063E+00 1.1242E+01 H2 3918 1.008000 0.423800 7.2065E-01 8.2714E+00 9.9318E+00 O6 3919 15.999400 -0.847600 -9.7226E+00 -4.8280E+00 -1.1297E+01 H1 3920 1.008000 0.423800 -9.3749E+00 -5.3655E+00 -1.0528E+01 H2 3921 1.008000 0.423800 -9.3617E+00 -5.1980E+00 -1.2153E+01 O6 3922 15.999400 -0.847600 -1.8116E+01 -5.8071E+00 -7.0140E+00 H1 3923 1.008000 0.423800 -1.7303E+01 -5.7814E+00 -7.5956E+00 H2 3924 1.008000 0.423800 -1.8892E+01 -6.1528E+00 -7.5414E+00 O6 3925 15.999400 -0.847600 -6.3859E+00 -1.1561E+01 4.7413E+00 H1 3926 1.008000 0.423800 -6.1554E+00 -1.0836E+01 4.0927E+00 H2 3927 1.008000 0.423800 -5.8286E+00 -1.2369E+01 4.5497E+00 O6 3928 15.999400 -0.847600 1.5370E+01 3.6630E+00 -4.8392E+00 H1 3929 1.008000 0.423800 1.5833E+01 2.9797E+00 -5.4037E+00 H2 3930 1.008000 0.423800 1.6027E+01 4.3611E+00 -4.5549E+00 O6 3931 15.999400 -0.847600 6.2103E+00 1.2044E+00 -3.4980E+00 H1 3932 1.008000 0.423800 6.1542E+00 4.7948E-01 -2.8115E+00 H2 3933 1.008000 0.423800 6.3802E+00 2.0797E+00 -3.0453E+00 O6 3934 15.999400 -0.847600 -1.6672E+01 -5.9873E-01 -8.5862E+00 H1 3935 1.008000 0.423800 -1.6341E+01 -6.5489E-01 -9.5280E+00 H2 3936 1.008000 0.423800 -1.7181E+01 2.5300E-01 -8.4624E+00 O6 3937 15.999400 -0.847600 -6.5360E+00 -4.8145E+00 1.3333E+01 H1 3938 1.008000 0.423800 -7.3820E+00 -4.2815E+00 1.3316E+01 H2 3939 1.008000 0.423800 -5.8887E+00 -4.3929E+00 1.3967E+01 O6 3940 15.999400 -0.847600 -1.6966E+01 -1.4486E+01 -1.8444E+01 H1 3941 1.008000 0.423800 -1.7403E+01 -1.3997E+01 -1.7689E+01 H2 3942 1.008000 0.423800 -1.7242E+01 -1.5447E+01 -1.8422E+01 O6 3943 15.999400 -0.847600 -1.3503E+01 -1.2231E+01 1.0907E+01 H1 3944 1.008000 0.423800 -1.3357E+01 -1.2197E+01 9.9184E+00 H2 3945 1.008000 0.423800 -1.3402E+01 -1.3173E+01 1.1227E+01 O6 3946 15.999400 -0.847600 -1.9098E+01 1.0958E+01 1.0376E+00 H1 3947 1.008000 0.423800 1.9175E+01 1.1523E+01 1.0097E+00 H2 3948 1.008000 0.423800 -1.8293E+01 1.1547E+01 1.0991E+00 O6 3949 15.999400 -0.847600 1.2336E+01 1.4864E+01 8.6919E+00 H1 3950 1.008000 0.423800 1.2961E+01 1.5498E+01 8.2370E+00 H2 3951 1.008000 0.423800 1.1778E+01 1.5363E+01 9.3552E+00 O6 3952 15.999400 -0.847600 1.8527E+01 -5.4638E+00 8.6648E+00 H1 3953 1.008000 0.423800 1.7594E+01 -5.7771E+00 8.4862E+00 H2 3954 1.008000 0.423800 1.8628E+01 -5.2559E+00 9.6377E+00 O6 3955 15.999400 -0.847600 -1.6518E+01 -9.7552E+00 -2.4680E+00 H1 3956 1.008000 0.423800 -1.6037E+01 -1.0112E+01 -3.2694E+00 H2 3957 1.008000 0.423800 -1.7478E+01 -9.6001E+00 -2.6971E+00 O6 3958 15.999400 -0.847600 -1.2091E+01 1.2814E+01 1.6326E+01 H1 3959 1.008000 0.423800 -1.1504E+01 1.3550E+01 1.5988E+01 H2 3960 1.008000 0.423800 -1.2313E+01 1.2980E+01 1.7287E+01 O6 3961 15.999400 -0.847600 1.4581E+01 -1.8255E+01 -1.7404E+01 H1 3962 1.008000 0.423800 1.4049E+01 -1.8226E+01 -1.8250E+01 H2 3963 1.008000 0.423800 1.4062E+01 -1.7818E+01 -1.6669E+01 O6 3964 15.999400 -0.847600 -2.2884E+00 8.8183E+00 -7.7452E+00 H1 3965 1.008000 0.423800 -3.0688E+00 8.2619E+00 -7.4598E+00 H2 3966 1.008000 0.423800 -2.6045E+00 9.7347E+00 -7.9908E+00 O6 3967 15.999400 -0.847600 1.7668E+01 -1.9063E+01 8.5245E+00 H1 3968 1.008000 0.423800 1.7568E+01 1.9044E+01 8.6225E+00 H2 3969 1.008000 0.423800 1.6787E+01 -1.8621E+01 8.6903E+00 O6 3970 15.999400 -0.847600 1.5012E+00 -3.1672E+00 -1.4473E+01 H1 3971 1.008000 0.423800 1.8178E+00 -3.3351E+00 -1.3539E+01 H2 3972 1.008000 0.423800 1.0813E+00 -3.9985E+00 -1.4837E+01 O6 3973 15.999400 -0.847600 5.9502E+00 -1.4509E+01 -1.7269E+01 H1 3974 1.008000 0.423800 5.4303E+00 -1.4920E+01 -1.8018E+01 H2 3975 1.008000 0.423800 5.5352E+00 -1.3636E+01 -1.7015E+01 O6 3976 15.999400 -0.847600 -3.1562E+00 1.2274E+01 -1.0145E+01 H1 3977 1.008000 0.423800 -3.4774E+00 1.1356E+01 -1.0378E+01 H2 3978 1.008000 0.423800 -3.4922E+00 1.2524E+01 -9.2368E+00 O6 3979 15.999400 -0.847600 4.1192E+00 -1.1923E+01 -2.9909E+00 H1 3980 1.008000 0.423800 4.4300E+00 -1.2392E+01 -2.1642E+00 H2 3981 1.008000 0.423800 4.0056E+00 -1.2588E+01 -3.7288E+00 O6 3982 15.999400 -0.847600 4.3231E-01 -4.4397E+00 -4.1776E+00 H1 3983 1.008000 0.423800 4.4911E-01 -5.0984E+00 -4.9298E+00 H2 3984 1.008000 0.423800 5.3807E-01 -4.9233E+00 -3.3087E+00 O6 3985 15.999400 -0.847600 1.5867E+01 -1.5782E+01 -1.0448E+01 H1 3986 1.008000 0.423800 1.6326E+01 -1.5425E+01 -9.6340E+00 H2 3987 1.008000 0.423800 1.5255E+01 -1.6528E+01 -1.0184E+01 O6 3988 15.999400 -0.847600 -5.8349E+00 1.6779E+00 3.1347E+00 H1 3989 1.008000 0.423800 -5.4630E+00 1.8501E+00 4.0469E+00 H2 3990 1.008000 0.423800 -5.6413E+00 2.4602E+00 2.5427E+00 O6 3991 15.999400 -0.847600 -1.0969E+01 -1.7461E+01 -1.0974E+01 H1 3992 1.008000 0.423800 -1.1572E+01 -1.7553E+01 -1.0181E+01 H2 3993 1.008000 0.423800 -1.0698E+01 -1.6504E+01 -1.1076E+01 O6 3994 15.999400 -0.847600 1.3027E+01 -4.5681E+00 -3.1621E+00 H1 3995 1.008000 0.423800 1.3370E+01 -5.3675E+00 -2.6691E+00 H2 3996 1.008000 0.423800 1.2615E+01 -3.9283E+00 -2.5136E+00 O6 3997 15.999400 -0.847600 3.2310E+00 -3.6576E-01 2.9305E+00 H1 3998 1.008000 0.423800 2.5509E+00 -1.2368E-01 3.6226E+00 H2 3999 1.008000 0.423800 3.7802E+00 4.3944E-01 2.7070E+00 O6 4000 15.999400 -0.847600 1.6773E+01 8.4243E+00 1.3046E+01 H1 4001 1.008000 0.423800 1.6901E+01 9.3788E+00 1.2776E+01 H2 4002 1.008000 0.423800 1.5957E+01 8.0583E+00 1.2597E+01 O6 4003 15.999400 -0.847600 1.1927E+01 -3.2557E+00 1.5237E+01 H1 4004 1.008000 0.423800 1.2241E+01 -2.9193E+00 1.6125E+01 H2 4005 1.008000 0.423800 1.1220E+01 -2.6455E+00 1.4880E+01 O6 4006 15.999400 -0.847600 -1.9297E+01 -1.8220E+01 2.3591E+00 H1 4007 1.008000 0.423800 -1.9057E+01 -1.7511E+01 3.0224E+00 H2 4008 1.008000 0.423800 1.8806E+01 -1.8310E+01 2.3114E+00 O6 4009 15.999400 -0.847600 -4.9310E+00 -6.7804E+00 9.0737E+00 H1 4010 1.008000 0.423800 -5.9277E+00 -6.8601E+00 9.0917E+00 H2 4011 1.008000 0.423800 -4.5223E+00 -7.6431E+00 9.3715E+00 O6 4012 15.999400 -0.847600 1.8544E+01 -3.0026E+00 -1.4723E+01 H1 4013 1.008000 0.423800 1.7643E+01 -2.5778E+00 -1.4803E+01 H2 4014 1.008000 0.423800 1.8844E+01 -3.3199E+00 -1.5623E+01 O6 4015 15.999400 -0.847600 -7.6488E+00 -1.8466E+01 1.4177E+01 H1 4016 1.008000 0.423800 -8.3661E+00 -1.8129E+01 1.4787E+01 H2 4017 1.008000 0.423800 -7.4141E+00 -1.7756E+01 1.3514E+01 O6 4018 15.999400 -0.847600 1.6976E+01 7.9579E+00 -8.5227E+00 H1 4019 1.008000 0.423800 1.6239E+01 7.6355E+00 -7.9287E+00 H2 4020 1.008000 0.423800 1.7629E+01 7.2162E+00 -8.6761E+00 O6 4021 15.999400 -0.847600 1.8875E+01 -1.6539E+01 -1.3333E+01 H1 4022 1.008000 0.423800 1.8010E+01 -1.6256E+01 -1.3746E+01 H2 4023 1.008000 0.423800 1.9085E+01 -1.7478E+01 -1.3608E+01 O6 4024 15.999400 -0.847600 1.1763E+01 1.9194E+01 -1.0103E+00 H1 4025 1.008000 0.423800 1.2397E+01 1.8590E+01 -1.4945E+00 H2 4026 1.008000 0.423800 1.2244E+01 -1.9451E+01 -2.5920E-01 O6 4027 15.999400 -0.847600 -1.8538E+01 -1.3839E+01 1.7259E+01 H1 4028 1.008000 0.423800 -1.8006E+01 -1.4407E+01 1.6632E+01 H2 4029 1.008000 0.423800 -1.8443E+01 -1.2877E+01 1.7001E+01 O6 4030 15.999400 -0.847600 1.0076E+01 -4.1928E+00 -1.3877E+01 H1 4031 1.008000 0.423800 9.2353E+00 -4.5789E+00 -1.4257E+01 H2 4032 1.008000 0.423800 1.0866E+01 -4.5832E+00 -1.4350E+01 O6 4033 15.999400 -0.847600 -1.6282E+01 -8.3120E+00 -1.3404E+01 H1 4034 1.008000 0.423800 -1.6872E+01 -9.0195E+00 -1.3793E+01 H2 4035 1.008000 0.423800 -1.6133E+01 -8.4990E+00 -1.2433E+01 O6 4036 15.999400 -0.847600 1.8861E+01 1.7716E+00 8.1154E+00 H1 4037 1.008000 0.423800 1.8511E+01 8.8230E-01 8.4098E+00 H2 4038 1.008000 0.423800 -1.9241E+01 1.7840E+00 8.2049E+00 O6 4039 15.999400 -0.847600 -1.4701E+01 -1.8273E+01 4.2324E+00 H1 4040 1.008000 0.423800 -1.5487E+01 -1.7656E+01 4.2018E+00 H2 4041 1.008000 0.423800 -1.4276E+01 -1.8317E+01 3.3281E+00 O6 4042 15.999400 -0.847600 -2.9396E+00 -5.6613E+00 -2.8701E+00 H1 4043 1.008000 0.423800 -2.7421E+00 -5.2009E+00 -2.0046E+00 H2 4044 1.008000 0.423800 -3.9250E+00 -5.8111E+00 -2.9506E+00 O6 4045 15.999400 -0.847600 1.8408E+01 1.4395E+01 -1.0710E+01 H1 4046 1.008000 0.423800 1.8260E+01 1.4556E+01 -9.7340E+00 H2 4047 1.008000 0.423800 1.9324E+01 1.4019E+01 -1.0850E+01 O6 4048 15.999400 -0.847600 1.7987E+01 1.5554E+01 1.3626E+01 H1 4049 1.008000 0.423800 1.8556E+01 1.5838E+01 1.4398E+01 H2 4050 1.008000 0.423800 1.8431E+01 1.4798E+01 1.3145E+01 O6 4051 15.999400 -0.847600 -1.1638E+01 -9.6745E+00 1.8540E+01 H1 4052 1.008000 0.423800 -1.0988E+01 -8.9533E+00 1.8300E+01 H2 4053 1.008000 0.423800 -1.1805E+01 -9.6571E+00 1.9526E+01 O6 4054 15.999400 -0.847600 1.4883E+01 1.8422E+01 1.3696E+01 H1 4055 1.008000 0.423800 1.4563E+01 1.7603E+01 1.4172E+01 H2 4056 1.008000 0.423800 1.5717E+01 1.8208E+01 1.3188E+01 O6 4057 15.999400 -0.847600 -3.1391E+00 2.3600E+00 -1.6292E+01 H1 4058 1.008000 0.423800 -2.9299E+00 3.3150E+00 -1.6502E+01 H2 4059 1.008000 0.423800 -3.7498E+00 1.9906E+00 -1.6992E+01 O6 4060 15.999400 -0.847600 1.9496E+01 1.6125E+01 1.5760E+01 H1 4061 1.008000 0.423800 -1.9084E+01 1.5398E+01 1.6211E+01 H2 4062 1.008000 0.423800 1.8936E+01 1.6605E+01 1.6436E+01 O6 4063 15.999400 -0.847600 -9.1183E+00 1.6204E+01 3.3502E+00 H1 4064 1.008000 0.423800 -8.3548E+00 1.6761E+01 3.6770E+00 H2 4065 1.008000 0.423800 -8.8449E+00 1.5718E+01 2.5201E+00 O6 4066 15.999400 -0.847600 -1.5083E+01 1.4600E+01 7.8787E+00 H1 4067 1.008000 0.423800 -1.4889E+01 1.3821E+01 7.2836E+00 H2 4068 1.008000 0.423800 -1.4344E+01 1.5271E+01 7.8013E+00 O6 4069 15.999400 -0.847600 -5.5274E+00 1.8986E+01 -1.5995E+01 H1 4070 1.008000 0.423800 -5.6215E+00 1.8111E+01 -1.6470E+01 H2 4071 1.008000 0.423800 -6.2211E+00 -1.9474E+01 -1.6331E+01 O6 4072 15.999400 -0.847600 2.0307E+00 -1.4663E+01 -1.3153E+01 H1 4073 1.008000 0.423800 1.7197E+00 -1.4446E+01 -1.4078E+01 H2 4074 1.008000 0.423800 1.3664E+00 -1.5265E+01 -1.2711E+01 O6 4075 15.999400 -0.847600 -7.8089E+00 3.0993E-01 -1.4432E+01 H1 4076 1.008000 0.423800 -8.4271E+00 -4.3127E-01 -1.4171E+01 H2 4077 1.008000 0.423800 -8.2265E+00 8.4975E-01 -1.5163E+01 O6 4078 15.999400 -0.847600 6.2353E-01 -7.3089E+00 1.3719E+01 H1 4079 1.008000 0.423800 -4.4490E-03 -6.7399E+00 1.4250E+01 H2 4080 1.008000 0.423800 1.3543E+00 -6.7384E+00 1.3345E+01 O6 4081 15.999400 -0.847600 -1.6346E+00 -1.7210E+01 -1.5564E+01 H1 4082 1.008000 0.423800 -8.3870E-01 -1.7786E+01 -1.5749E+01 H2 4083 1.008000 0.423800 -1.7414E+00 -1.6543E+01 -1.6301E+01 O6 4084 15.999400 -0.847600 1.5118E+01 6.3895E+00 5.4217E+00 H1 4085 1.008000 0.423800 1.5356E+01 7.3321E+00 5.1871E+00 H2 4086 1.008000 0.423800 1.5454E+01 5.7739E+00 4.7090E+00 O6 4087 15.999400 -0.847600 -4.4771E+00 1.5336E+01 7.6786E+00 H1 4088 1.008000 0.423800 -5.1560E+00 1.4682E+01 8.0132E+00 H2 4089 1.008000 0.423800 -4.7942E+00 1.6267E+01 7.8580E+00 O6 4090 15.999400 -0.847600 1.7554E+01 4.5923E+00 -7.4079E+00 H1 4091 1.008000 0.423800 1.8015E+01 3.7285E+00 -7.2064E+00 H2 4092 1.008000 0.423800 1.7998E+01 5.0340E+00 -8.1871E+00 O6 4093 15.999400 -0.847600 -7.1958E+00 -9.7557E+00 1.4941E+01 H1 4094 1.008000 0.423800 -7.2132E+00 -9.0316E+00 1.4252E+01 H2 4095 1.008000 0.423800 -6.4083E+00 -9.6238E+00 1.5543E+01 O6 4096 15.999400 -0.847600 -2.7163E+00 1.4739E+00 1.4402E+01 H1 4097 1.008000 0.423800 -2.5423E+00 2.4585E+00 1.4419E+01 H2 4098 1.008000 0.423800 -2.6462E+00 1.1396E+00 1.3462E+01 O6 4099 15.999400 -0.847600 -1.3296E+01 6.8938E+00 7.1682E+00 H1 4100 1.008000 0.423800 -1.3010E+01 7.7037E+00 7.6804E+00 H2 4101 1.008000 0.423800 -1.2923E+01 6.9366E+00 6.2415E+00 O6 4102 15.999400 -0.847600 1.5525E+00 -1.1830E+01 1.8463E+01 H1 4103 1.008000 0.423800 1.2769E+00 -1.0872E+01 1.8380E+01 H2 4104 1.008000 0.423800 1.7288E+00 -1.2207E+01 1.7554E+01 O6 4105 15.999400 -0.847600 1.1555E+01 -3.1313E+00 1.9341E+00 H1 4106 1.008000 0.423800 1.2492E+01 -3.2533E+00 1.6075E+00 H2 4107 1.008000 0.423800 1.1307E+01 -3.8956E+00 2.5297E+00 O6 4108 15.999400 -0.847600 -1.6390E+01 1.4923E+00 1.0557E+01 H1 4109 1.008000 0.423800 -1.5901E+01 7.5291E-01 1.1021E+01 H2 4110 1.008000 0.423800 -1.7089E+01 1.8639E+00 1.1167E+01 O6 4111 15.999400 -0.847600 1.2496E+01 -9.9224E+00 1.3756E+01 H1 4112 1.008000 0.423800 1.2672E+01 -1.0393E+01 1.4621E+01 H2 4113 1.008000 0.423800 1.1650E+01 -1.0272E+01 1.3353E+01 O6 4114 15.999400 -0.847600 -4.5591E+00 -7.0647E+00 -1.6863E+01 H1 4115 1.008000 0.423800 -4.0389E+00 -6.3285E+00 -1.7296E+01 H2 4116 1.008000 0.423800 -5.4799E+00 -6.7399E+00 -1.6647E+01 O6 4117 15.999400 -0.847600 -6.7614E+00 1.3515E+01 9.4097E+00 H1 4118 1.008000 0.423800 -6.4346E+00 1.2594E+01 9.6225E+00 H2 4119 1.008000 0.423800 -6.8413E+00 1.4044E+01 1.0255E+01 O6 4120 15.999400 -0.847600 7.2235E+00 1.2392E+01 -4.2966E+00 H1 4121 1.008000 0.423800 8.1091E+00 1.1941E+01 -4.1858E+00 H2 4122 1.008000 0.423800 6.7874E+00 1.2069E+01 -5.1362E+00 O6 4123 15.999400 -0.847600 8.0385E+00 4.2286E+00 9.0691E+00 H1 4124 1.008000 0.423800 8.1113E+00 4.0407E+00 1.0049E+01 H2 4125 1.008000 0.423800 8.4662E+00 5.1094E+00 8.8660E+00 O6 4126 15.999400 -0.847600 1.7572E+01 8.7633E+00 8.4204E+00 H1 4127 1.008000 0.423800 1.7908E+01 9.5608E+00 8.9215E+00 H2 4128 1.008000 0.423800 1.7578E+01 8.9590E+00 7.4397E+00 O6 4129 15.999400 -0.847600 1.3126E+00 1.9368E+01 1.7928E+01 H1 4130 1.008000 0.423800 2.2244E+00 1.8998E+01 1.8107E+01 H2 4131 1.008000 0.423800 1.2832E+00 -1.9347E+01 1.7005E+01 O6 4132 15.999400 -0.847600 1.5549E+01 9.0423E+00 5.3832E+00 H1 4133 1.008000 0.423800 1.6426E+01 9.5075E+00 5.5023E+00 H2 4134 1.008000 0.423800 1.4871E+01 9.6922E+00 5.0400E+00 O6 4135 15.999400 -0.847600 6.5429E+00 -1.2880E+01 -9.7980E+00 H1 4136 1.008000 0.423800 7.2825E+00 -1.2787E+01 -9.1313E+00 H2 4137 1.008000 0.423800 6.9246E+00 -1.2873E+01 -1.0722E+01 O6 4138 15.999400 -0.847600 1.1400E+01 -1.8207E+01 1.1256E+01 H1 4139 1.008000 0.423800 1.0934E+01 -1.7332E+01 1.1384E+01 H2 4140 1.008000 0.423800 1.2099E+01 -1.8319E+01 1.1962E+01 O6 4141 15.999400 -0.847600 2.6706E+00 1.4879E+01 -1.8542E+01 H1 4142 1.008000 0.423800 2.9118E+00 1.5601E+01 -1.9190E+01 H2 4143 1.008000 0.423800 3.4746E+00 1.4636E+01 -1.7999E+01 O6 4144 15.999400 -0.847600 -1.2274E+01 -1.0069E+01 1.2153E+01 H1 4145 1.008000 0.423800 -1.1366E+01 -9.9913E+00 1.1742E+01 H2 4146 1.008000 0.423800 -1.2702E+01 -1.0923E+01 1.1855E+01 O6 4147 15.999400 -0.847600 9.6023E-01 1.2977E+01 1.6078E+01 H1 4148 1.008000 0.423800 6.3999E-01 1.3299E+01 1.5187E+01 H2 4149 1.008000 0.423800 2.4373E-01 1.3120E+01 1.6761E+01 O6 4150 15.999400 -0.847600 1.5086E+01 -8.7486E+00 4.2902E+00 H1 4151 1.008000 0.423800 1.4351E+01 -8.0714E+00 4.2443E+00 H2 4152 1.008000 0.423800 1.5892E+01 -8.3376E+00 4.7157E+00 O6 4153 15.999400 -0.847600 3.6729E+00 -6.9225E+00 3.8178E+00 H1 4154 1.008000 0.423800 4.3663E+00 -6.2021E+00 3.8037E+00 H2 4155 1.008000 0.423800 2.9899E+00 -6.7417E+00 3.1102E+00 O6 4156 15.999400 -0.847600 1.8613E+01 3.7553E-01 1.2145E+01 H1 4157 1.008000 0.423800 1.8517E+01 6.7371E-01 1.1195E+01 H2 4158 1.008000 0.423800 1.8364E+01 -5.9027E-01 1.2217E+01 O6 4159 15.999400 -0.847600 6.4080E+00 1.1133E+01 1.6838E+01 H1 4160 1.008000 0.423800 6.9406E+00 1.1467E+01 1.7615E+01 H2 4161 1.008000 0.423800 6.3002E+00 1.1867E+01 1.6167E+01 O6 4162 15.999400 -0.847600 1.7692E+01 -4.8762E+00 -1.2772E+01 H1 4163 1.008000 0.423800 1.8332E+01 -5.6438E+00 -1.2807E+01 H2 4164 1.008000 0.423800 1.7874E+01 -4.2558E+00 -1.3535E+01 O6 4165 15.999400 -0.847600 3.8193E+00 6.8228E+00 -9.7042E+00 H1 4166 1.008000 0.423800 3.0569E+00 6.7526E+00 -9.0609E+00 H2 4167 1.008000 0.423800 4.3822E+00 5.9984E+00 -9.6453E+00 O6 4168 15.999400 -0.847600 9.7184E+00 -3.6304E+00 1.2602E+01 H1 4169 1.008000 0.423800 9.4732E+00 -3.2935E+00 1.1693E+01 H2 4170 1.008000 0.423800 1.0261E+01 -4.4657E+00 1.2513E+01 O6 4171 15.999400 -0.847600 1.4561E+01 -1.3748E+01 -6.7707E+00 H1 4172 1.008000 0.423800 1.4013E+01 -1.3055E+01 -7.2404E+00 H2 4173 1.008000 0.423800 1.5477E+01 -1.3776E+01 -7.1711E+00 O6 4174 15.999400 -0.847600 3.8624E+00 9.8129E+00 1.6983E+01 H1 4175 1.008000 0.423800 4.7478E+00 1.0240E+01 1.7166E+01 H2 4176 1.008000 0.423800 3.1364E+00 1.0493E+01 1.7086E+01 O6 4177 15.999400 -0.847600 -9.1723E+00 -1.5017E+01 -7.7862E+00 H1 4178 1.008000 0.423800 -8.3604E+00 -1.5601E+01 -7.7761E+00 H2 4179 1.008000 0.423800 -9.2083E+00 -1.4511E+01 -8.6480E+00 O6 4180 15.999400 -0.847600 1.3917E+00 -1.1272E+01 1.2354E+01 H1 4181 1.008000 0.423800 1.3440E+00 -1.1110E+01 1.1368E+01 H2 4182 1.008000 0.423800 2.0455E+00 -1.0636E+01 1.2764E+01 O6 4183 15.999400 -0.847600 1.7614E+01 -1.0866E+01 1.7730E+01 H1 4184 1.008000 0.423800 1.8383E+01 -1.1296E+01 1.8204E+01 H2 4185 1.008000 0.423800 1.7898E+01 -9.9757E+00 1.7374E+01 O6 4186 15.999400 -0.847600 1.3430E+01 -1.1048E+01 1.6271E+01 H1 4187 1.008000 0.423800 1.4397E+01 -1.1303E+01 1.6239E+01 H2 4188 1.008000 0.423800 1.3309E+01 -1.0281E+01 1.6901E+01 O6 4189 15.999400 -0.847600 -1.8132E+01 -1.3073E+01 2.2287E+00 H1 4190 1.008000 0.423800 -1.8893E+01 -1.3099E+01 2.8773E+00 H2 4191 1.008000 0.423800 -1.8402E+01 -1.3528E+01 1.3802E+00 O6 4192 15.999400 -0.847600 1.3016E+00 1.0176E+01 -4.5613E+00 H1 4193 1.008000 0.423800 1.0877E+00 1.0537E+01 -3.6539E+00 H2 4194 1.008000 0.423800 1.1967E+00 1.0900E+01 -5.2423E+00 O6 4195 15.999400 -0.847600 1.8054E+01 -1.3210E+01 7.8942E+00 H1 4196 1.008000 0.423800 1.7920E+01 -1.3157E+01 8.8838E+00 H2 4197 1.008000 0.423800 1.7963E+01 -1.4159E+01 7.5955E+00 O6 4198 15.999400 -0.847600 -1.4742E+01 -1.6755E+01 -5.0939E+00 H1 4199 1.008000 0.423800 -1.4623E+01 -1.7451E+01 -5.8017E+00 H2 4200 1.008000 0.423800 -1.3935E+01 -1.6738E+01 -4.5041E+00 O6 4201 15.999400 -0.847600 -4.9364E+00 -4.4036E+00 4.7726E+00 H1 4202 1.008000 0.423800 -4.9455E+00 -5.3098E+00 5.1954E+00 H2 4203 1.008000 0.423800 -4.2441E+00 -3.8353E+00 5.2173E+00 O6 4204 15.999400 -0.847600 1.2111E+00 -9.8092E+00 9.7736E+00 H1 4205 1.008000 0.423800 1.9021E+00 -9.0916E+00 9.8609E+00 H2 4206 1.008000 0.423800 3.4227E-01 -9.4821E+00 1.0145E+01 O6 4207 15.999400 -0.847600 1.1802E-01 -1.5925E+01 1.4121E+01 H1 4208 1.008000 0.423800 4.3568E-01 -1.6003E+01 1.5066E+01 H2 4209 1.008000 0.423800 -8.0628E-01 -1.5544E+01 1.4111E+01 O6 4210 15.999400 -0.847600 1.5759E+01 8.6492E+00 -1.0988E+01 H1 4211 1.008000 0.423800 1.4889E+01 8.2503E+00 -1.0698E+01 H2 4212 1.008000 0.423800 1.6379E+01 8.6990E+00 -1.0205E+01 O6 4213 15.999400 -0.847600 1.6721E+01 5.5296E-01 -1.6230E+01 H1 4214 1.008000 0.423800 1.5807E+01 2.0378E-01 -1.6438E+01 H2 4215 1.008000 0.423800 1.6957E+01 3.2501E-01 -1.5285E+01 O6 4216 15.999400 -0.847600 1.7280E+01 -1.2847E+01 -1.4812E+01 H1 4217 1.008000 0.423800 1.6647E+01 -1.2657E+01 -1.4062E+01 H2 4218 1.008000 0.423800 1.6820E+01 -1.3403E+01 -1.5503E+01 O6 4219 15.999400 -0.847600 8.1366E+00 3.9140E+00 1.1969E+01 H1 4220 1.008000 0.423800 7.3717E+00 3.8267E+00 1.2607E+01 H2 4221 1.008000 0.423800 8.9976E+00 3.7844E+00 1.2461E+01 O6 4222 15.999400 -0.847600 -1.8708E+01 7.6867E+00 1.2649E+01 H1 4223 1.008000 0.423800 -1.9456E+01 7.0985E+00 1.2342E+01 H2 4224 1.008000 0.423800 -1.7940E+01 7.1203E+00 1.2948E+01 O6 4225 15.999400 -0.847600 -1.4940E+01 1.7967E+01 1.7203E+01 H1 4226 1.008000 0.423800 -1.4313E+01 1.8716E+01 1.6990E+01 H2 4227 1.008000 0.423800 -1.5715E+01 1.8320E+01 1.7727E+01 O6 4228 15.999400 -0.847600 2.8080E+00 -7.4354E+00 -1.2163E+01 H1 4229 1.008000 0.423800 2.2611E+00 -6.9291E+00 -1.1496E+01 H2 4230 1.008000 0.423800 2.9730E+00 -8.3616E+00 -1.1824E+01 O6 4231 15.999400 -0.847600 1.9095E+01 -1.1834E+01 -1.1830E+01 H1 4232 1.008000 0.423800 1.9179E+01 -1.2808E+01 -1.2038E+01 H2 4233 1.008000 0.423800 1.9239E+01 -1.1688E+01 -1.0851E+01 O6 4234 15.999400 -0.847600 1.3857E+01 -1.7871E+01 -9.1178E+00 H1 4235 1.008000 0.423800 1.4031E+01 -1.8450E+01 -9.9143E+00 H2 4236 1.008000 0.423800 1.2892E+01 -1.7609E+01 -9.1009E+00 O6 4237 15.999400 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-9.7013E+00 8.1336E+00 5.5955E+00 H2 4254 1.008000 0.423800 -1.1203E+01 7.9206E+00 4.9909E+00 O6 4255 15.999400 -0.847600 -9.7715E+00 1.0327E+01 -3.4232E+00 H1 4256 1.008000 0.423800 -9.4099E+00 9.6476E+00 -4.0616E+00 H2 4257 1.008000 0.423800 -9.8179E+00 1.1218E+01 -3.8756E+00 O6 4258 15.999400 -0.847600 1.9530E+00 -2.1122E+00 1.1892E+00 H1 4259 1.008000 0.423800 2.4179E+00 -2.1617E+00 3.0525E-01 H2 4260 1.008000 0.423800 2.3069E+00 -1.3345E+00 1.7088E+00 O6 4261 15.999400 -0.847600 5.7670E-01 -5.1141E+00 -6.8360E+00 H1 4262 1.008000 0.423800 1.3776E-01 -5.5087E+00 -7.6433E+00 H2 4263 1.008000 0.423800 1.0130E+00 -4.2489E+00 -7.0833E+00 O6 4264 15.999400 -0.847600 -2.8521E+00 -1.5822E+01 -1.3619E+01 H1 4265 1.008000 0.423800 -2.5464E+00 -1.6262E+01 -1.4463E+01 H2 4266 1.008000 0.423800 -3.6156E+00 -1.6338E+01 -1.3231E+01 O6 4267 15.999400 -0.847600 -1.5353E+01 -7.3971E+00 6.0923E+00 H1 4268 1.008000 0.423800 -1.5460E+01 -8.3903E+00 6.1393E+00 H2 4269 1.008000 0.423800 -1.5637E+01 -6.9899E+00 6.9604E+00 O6 4270 15.999400 -0.847600 2.2914E+00 -1.4887E+01 1.0019E+01 H1 4271 1.008000 0.423800 3.0982E+00 -1.4539E+01 1.0496E+01 H2 4272 1.008000 0.423800 1.5938E+00 -1.4171E+01 9.9785E+00 O6 4273 15.999400 -0.847600 -1.2346E+01 1.3337E+01 6.1121E+00 H1 4274 1.008000 0.423800 -1.2420E+01 1.4200E+01 6.6122E+00 H2 4275 1.008000 0.423800 -1.3212E+01 1.2842E+01 6.1722E+00 O6 4276 15.999400 -0.847600 1.2013E+01 1.2759E+01 -5.2133E+00 H1 4277 1.008000 0.423800 1.1506E+01 1.2567E+01 -6.0537E+00 H2 4278 1.008000 0.423800 1.1377E+01 1.3061E+01 -4.5023E+00 O6 4279 15.999400 -0.847600 4.6788E+00 1.7883E+01 -5.4046E+00 H1 4280 1.008000 0.423800 4.1605E+00 1.7823E+01 -4.5516E+00 H2 4281 1.008000 0.423800 5.0682E+00 1.6988E+01 -5.6217E+00 O6 4282 15.999400 -0.847600 1.5452E+01 1.1025E+01 -1.5102E+00 H1 4283 1.008000 0.423800 1.6170E+01 1.1040E+01 -2.2058E+00 H2 4284 1.008000 0.423800 1.5825E+01 1.0669E+01 -6.5349E-01 O6 4285 15.999400 -0.847600 2.3896E+00 1.1115E+01 -1.3801E+01 H1 4286 1.008000 0.423800 3.3896E+00 1.1108E+01 -1.3807E+01 H2 4287 1.008000 0.423800 2.0546E+00 1.0374E+01 -1.3219E+01 O6 4288 15.999400 -0.847600 -5.0889E+00 1.7077E+01 3.0284E+00 H1 4289 1.008000 0.423800 -5.2547E+00 1.7593E+01 3.8690E+00 H2 4290 1.008000 0.423800 -5.0804E+00 1.6099E+01 3.2339E+00 O6 4291 15.999400 -0.847600 -2.8631E+00 -1.8886E+01 -1.0621E+00 H1 4292 1.008000 0.423800 -2.8752E+00 -1.8903E+01 -6.2310E-02 H2 4293 1.008000 0.423800 -3.7266E+00 -1.8511E+01 -1.3994E+00 O6 4294 15.999400 -0.847600 -9.3482E+00 1.9498E+01 -1.3978E+01 H1 4295 1.008000 0.423800 -9.0447E+00 1.9371E+01 -1.3034E+01 H2 4296 1.008000 0.423800 -8.7072E+00 -1.8999E+01 -1.4457E+01 O6 4297 15.999400 -0.847600 -1.8505E+01 -2.2332E+00 -6.5277E-01 H1 4298 1.008000 0.423800 -1.7994E+01 -2.7132E+00 6.0131E-02 H2 4299 1.008000 0.423800 -1.7946E+01 -2.1703E+00 -1.4792E+00 O6 4300 15.999400 -0.847600 1.1935E+00 -1.4758E+01 -8.5244E+00 H1 4301 1.008000 0.423800 1.3084E+00 -1.4762E+01 -7.5310E+00 H2 4302 1.008000 0.423800 1.0646E+00 -1.5695E+01 -8.8489E+00 O6 4303 15.999400 -0.847600 1.2670E+01 -1.9019E+01 9.0462E+00 H1 4304 1.008000 0.423800 1.2201E+01 -1.8692E+01 9.8669E+00 H2 4305 1.008000 0.423800 1.2001E+01 -1.9167E+01 8.3176E+00 O6 4306 15.999400 -0.847600 6.1277E+00 1.2525E+01 9.0365E+00 H1 4307 1.008000 0.423800 6.7061E+00 1.1914E+01 8.4960E+00 H2 4308 1.008000 0.423800 5.4651E+00 1.2973E+01 8.4368E+00 O6 4309 15.999400 -0.847600 1.1029E+00 3.6970E+00 1.9378E+01 H1 4310 1.008000 0.423800 1.7005E+00 3.5981E+00 1.8582E+01 H2 4311 1.008000 0.423800 1.0329E+00 4.6637E+00 -1.9474E+01 O6 4312 15.999400 -0.847600 -6.0894E+00 1.1644E+01 1.1432E+01 H1 4313 1.008000 0.423800 -5.5877E+00 1.0783E+01 1.1349E+01 H2 4314 1.008000 0.423800 -5.6307E+00 1.2235E+01 1.2095E+01 O6 4315 15.999400 -0.847600 -1.8159E+01 -6.4259E+00 -2.0998E+00 H1 4316 1.008000 0.423800 -1.7203E+01 -6.5813E+00 -1.8505E+00 H2 4317 1.008000 0.423800 -1.8240E+01 -5.5563E+00 -2.5871E+00 O6 4318 15.999400 -0.847600 8.7429E+00 1.2111E+01 -1.7654E+01 H1 4319 1.008000 0.423800 9.7314E+00 1.2000E+01 -1.7551E+01 H2 4320 1.008000 0.423800 8.5162E+00 1.3085E+01 -1.7666E+01 O6 4321 15.999400 -0.847600 -9.8060E+00 3.6006E+00 3.2512E+00 H1 4322 1.008000 0.423800 -1.0708E+01 3.7992E+00 3.6341E+00 H2 4323 1.008000 0.423800 -9.3997E+00 2.8279E+00 3.7389E+00 O6 4324 15.999400 -0.847600 4.2782E-01 1.9396E+01 -3.8173E+00 H1 4325 1.008000 0.423800 1.1068E-01 1.8765E+01 -4.5260E+00 H2 4326 1.008000 0.423800 -2.5064E-01 -1.8979E+01 -3.6863E+00 O6 4327 15.999400 -0.847600 1.1203E+00 2.7934E+00 7.7741E+00 H1 4328 1.008000 0.423800 1.5197E+00 1.9036E+00 7.9945E+00 H2 4329 1.008000 0.423800 1.9174E-01 2.6649E+00 7.4259E+00 O6 4330 15.999400 -0.847600 -1.5319E+01 -1.0800E+00 1.4804E+01 H1 4331 1.008000 0.423800 -1.5240E+01 -1.6115E-01 1.5190E+01 H2 4332 1.008000 0.423800 -1.5369E+01 -1.7501E+00 1.5544E+01 O6 4333 15.999400 -0.847600 -6.3842E+00 1.7007E+01 -1.0964E+01 H1 4334 1.008000 0.423800 -7.0992E+00 1.7093E+01 -1.1658E+01 H2 4335 1.008000 0.423800 -6.7982E+00 1.7031E+01 -1.0054E+01 O6 4336 15.999400 -0.847600 -8.7111E-01 1.3748E+01 1.8200E+01 H1 4337 1.008000 0.423800 -6.4327E-01 1.3289E+01 1.9059E+01 H2 4338 1.008000 0.423800 -5.2987E-01 1.4687E+01 1.8223E+01 O6 4339 15.999400 -0.847600 5.7191E+00 7.6182E+00 1.0438E+01 H1 4340 1.008000 0.423800 5.1211E+00 7.8645E+00 1.1201E+01 H2 4341 1.008000 0.423800 6.0986E+00 8.4488E+00 1.0031E+01 O6 4342 15.999400 -0.847600 1.6300E+00 1.6925E+01 6.6786E+00 H1 4343 1.008000 0.423800 2.3205E+00 1.7120E+01 5.9820E+00 H2 4344 1.008000 0.423800 1.1229E+00 1.6102E+01 6.4239E+00 O6 4345 15.999400 -0.847600 -1.0183E+01 1.6824E+01 -1.1312E+00 H1 4346 1.008000 0.423800 -1.0721E+01 1.6402E+01 -4.0194E-01 H2 4347 1.008000 0.423800 -9.6880E+00 1.6115E+01 -1.6336E+00 O6 4348 15.999400 -0.847600 1.6063E+01 1.0046E+01 1.0857E+00 H1 4349 1.008000 0.423800 1.6070E+01 1.0738E+01 1.8073E+00 H2 4350 1.008000 0.423800 1.5179E+01 9.5789E+00 1.0807E+00 O6 4351 15.999400 -0.847600 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9.8243E+00 H2 4368 1.008000 0.423800 3.4773E+00 -7.6916E+00 1.0831E+01 O6 4369 15.999400 -0.847600 1.8953E+01 -8.4825E+00 2.1214E+00 H1 4370 1.008000 0.423800 1.9071E+01 -9.0084E+00 2.9637E+00 H2 4371 1.008000 0.423800 1.9176E+01 -7.5231E+00 2.2935E+00 O6 4372 15.999400 -0.847600 3.8582E-01 -4.7734E+00 -1.8769E+01 H1 4373 1.008000 0.423800 -5.1422E-01 -4.4044E+00 -1.9001E+01 H2 4374 1.008000 0.423800 9.6077E-01 -4.0426E+00 -1.8401E+01 O6 4375 15.999400 -0.847600 1.9341E+01 -1.2177E+00 2.5854E+00 H1 4376 1.008000 0.423800 1.9087E+01 -1.9982E+00 2.0143E+00 H2 4377 1.008000 0.423800 1.8529E+01 -8.6652E-01 3.0508E+00 O6 4378 15.999400 -0.847600 -4.4974E-01 -7.5461E+00 -8.2734E+00 H1 4379 1.008000 0.423800 -1.1073E+00 -8.1082E+00 -8.7752E+00 H2 4380 1.008000 0.423800 -1.8210E-01 -8.0168E+00 -7.4327E+00 O6 4381 15.999400 -0.847600 8.1788E+00 -7.5096E+00 1.3686E+01 H1 4382 1.008000 0.423800 8.0726E+00 -7.1100E+00 1.4596E+01 H2 4383 1.008000 0.423800 7.9479E+00 -8.4820E+00 1.3720E+01 O6 4384 15.999400 -0.847600 5.7283E+00 7.9281E+00 -4.7841E+00 H1 4385 1.008000 0.423800 5.1761E+00 7.2423E+00 -5.2582E+00 H2 4386 1.008000 0.423800 6.1813E+00 7.5064E+00 -3.9987E+00 O6 4387 15.999400 -0.847600 4.4572E+00 -9.2966E+00 4.2128E+00 H1 4388 1.008000 0.423800 4.3229E+00 -8.3291E+00 3.9982E+00 H2 4389 1.008000 0.423800 4.8397E+00 -9.3839E+00 5.1326E+00 O6 4390 15.999400 -0.847600 -1.7507E+01 9.4863E+00 -1.5863E+01 H1 4391 1.008000 0.423800 -1.6836E+01 8.9041E+00 -1.6322E+01 H2 4392 1.008000 0.423800 -1.7110E+01 9.8545E+00 -1.5023E+01 O6 4393 15.999400 -0.847600 -8.7802E+00 1.7720E+01 6.8865E+00 H1 4394 1.008000 0.423800 -8.0755E+00 1.8144E+01 7.4560E+00 H2 4395 1.008000 0.423800 -8.9881E+00 1.6807E+01 7.2374E+00 O6 4396 15.999400 -0.847600 -4.8361E+00 -6.6878E+00 6.2400E+00 H1 4397 1.008000 0.423800 -4.3185E+00 -7.4461E+00 5.8437E+00 H2 4398 1.008000 0.423800 -4.8943E+00 -6.8060E+00 7.2313E+00 O6 4399 15.999400 -0.847600 1.3308E+01 1.5181E+01 -5.6554E+00 H1 4400 1.008000 0.423800 1.3123E+01 1.4266E+01 -5.2957E+00 H2 4401 1.008000 0.423800 1.3599E+01 1.5111E+01 -6.6096E+00 O6 4402 15.999400 -0.847600 9.8398E+00 -1.4891E+01 9.5406E+00 H1 4403 1.008000 0.423800 9.5700E+00 -1.4999E+01 8.5837E+00 H2 4404 1.008000 0.423800 9.2263E+00 -1.4241E+01 9.9887E+00 O6 4405 15.999400 -0.847600 -2.8816E+00 -8.9028E+00 5.2726E+00 H1 4406 1.008000 0.423800 -2.6464E+00 -8.6493E+00 4.3343E+00 H2 4407 1.008000 0.423800 -2.1179E+00 -8.6814E+00 5.8790E+00 O6 4408 15.999400 -0.847600 8.2778E+00 -6.7634E+00 -1.6802E+01 H1 4409 1.008000 0.423800 8.1192E+00 -6.1500E+00 -1.6029E+01 H2 4410 1.008000 0.423800 8.9754E+00 -6.3706E+00 -1.7402E+01 O6 4411 15.999400 -0.847600 -1.0406E+00 -8.5529E+00 -1.2383E+01 H1 4412 1.008000 0.423800 -1.7566E-01 -8.9626E+00 -1.2673E+01 H2 4413 1.008000 0.423800 -1.5485E+00 -9.2079E+00 -1.1823E+01 O6 4414 15.999400 -0.847600 -3.6614E-01 4.1019E+00 -1.5566E+01 H1 4415 1.008000 0.423800 -3.2008E-01 4.2158E+00 -1.4574E+01 H2 4416 1.008000 0.423800 -1.1789E+00 4.5666E+00 -1.5917E+01 O6 4417 15.999400 -0.847600 -1.5807E+01 -5.6786E+00 1.6477E+01 H1 4418 1.008000 0.423800 -1.5799E+01 -6.2896E+00 1.5685E+01 H2 4419 1.008000 0.423800 -1.5129E+01 -5.9890E+00 1.7144E+01 O6 4420 15.999400 -0.847600 -1.3993E+01 -9.3203E+00 -1.5959E+01 H1 4421 1.008000 0.423800 -1.4122E+01 -1.0223E+01 -1.5549E+01 H2 4422 1.008000 0.423800 -1.4885E+01 -8.9009E+00 -1.6127E+01 O6 4423 15.999400 -0.847600 9.2654E+00 -3.2174E+00 9.9816E+00 H1 4424 1.008000 0.423800 9.2068E+00 -4.1772E+00 9.7070E+00 H2 4425 1.008000 0.423800 8.7678E+00 -2.6517E+00 9.3241E+00 O6 4426 15.999400 -0.847600 6.3041E+00 -8.3508E+00 -1.0445E+01 H1 4427 1.008000 0.423800 7.0880E+00 -7.8037E+00 -1.0152E+01 H2 4428 1.008000 0.423800 5.9640E+00 -8.8868E+00 -9.6728E+00 O6 4429 15.999400 -0.847600 -4.4300E+00 -1.2156E+01 1.4692E+01 H1 4430 1.008000 0.423800 -4.6437E+00 -1.1476E+01 1.3991E+01 H2 4431 1.008000 0.423800 -3.4490E+00 -1.2350E+01 1.4681E+01 O6 4432 15.999400 -0.847600 -1.3245E+01 -1.0347E+01 1.6614E+01 H1 4433 1.008000 0.423800 -1.2807E+01 -1.0212E+01 1.7503E+01 H2 4434 1.008000 0.423800 -1.2735E+01 -9.8488E+00 1.5912E+01 O6 4435 15.999400 -0.847600 -7.8686E+00 -8.2648E+00 -1.2609E+01 H1 4436 1.008000 0.423800 -8.1372E+00 -7.3850E+00 -1.3001E+01 H2 4437 1.008000 0.423800 -8.5462E+00 -8.5482E+00 -1.1931E+01 O6 4438 15.999400 -0.847600 -5.8648E+00 6.2032E+00 1.6012E+01 H1 4439 1.008000 0.423800 -4.9509E+00 6.3038E+00 1.6406E+01 H2 4440 1.008000 0.423800 -6.1165E+00 7.0448E+00 1.5534E+01 O6 4441 15.999400 -0.847600 1.0918E+01 -1.5441E+01 1.7362E+01 H1 4442 1.008000 0.423800 1.1294E+01 -1.4722E+01 1.6778E+01 H2 4443 1.008000 0.423800 1.0351E+01 -1.6055E+01 1.6813E+01 O6 4444 15.999400 -0.847600 1.2658E+01 1.9230E+01 1.6873E+01 H1 4445 1.008000 0.423800 1.2800E+01 -1.9082E+01 1.6271E+01 H2 4446 1.008000 0.423800 1.1687E+01 1.8994E+01 1.6890E+01 O6 4447 15.999400 -0.847600 5.1246E+00 1.6789E+00 1.1503E+01 H1 4448 1.008000 0.423800 4.9248E+00 7.5842E-01 1.1167E+01 H2 4449 1.008000 0.423800 5.0303E+00 2.3347E+00 1.0754E+01 O6 4450 15.999400 -0.847600 1.0057E+00 1.6175E+01 -6.5588E-01 H1 4451 1.008000 0.423800 1.1519E+00 1.6274E+01 3.2833E-01 H2 4452 1.008000 0.423800 2.4750E-01 1.6761E+01 -9.4132E-01 O6 4453 15.999400 -0.847600 -7.6790E+00 -1.3356E+01 -5.3350E+00 H1 4454 1.008000 0.423800 -8.5944E+00 -1.3116E+01 -5.6581E+00 H2 4455 1.008000 0.423800 -7.7484E+00 -1.3819E+01 -4.4517E+00 O6 4456 15.999400 -0.847600 8.3052E+00 1.4588E+01 -1.7260E+01 H1 4457 1.008000 0.423800 7.5606E+00 1.5209E+01 -1.7503E+01 H2 4458 1.008000 0.423800 9.1076E+00 1.4794E+01 -1.7820E+01 O6 4459 15.999400 -0.847600 -1.6662E+01 -1.8165E+01 1.3700E+01 H1 4460 1.008000 0.423800 -1.6173E+01 -1.7389E+01 1.3303E+01 H2 4461 1.008000 0.423800 -1.6031E+01 -1.8931E+01 1.3821E+01 O6 4462 15.999400 -0.847600 1.5708E+01 1.4712E+01 -3.3568E+00 H1 4463 1.008000 0.423800 1.5182E+01 1.5523E+01 -3.6113E+00 H2 4464 1.008000 0.423800 1.5114E+01 1.4066E+01 -2.8765E+00 O6 4465 15.999400 -0.847600 3.5631E+00 1.8958E+01 1.2174E+00 H1 4466 1.008000 0.423800 4.5458E+00 1.9092E+01 1.3454E+00 H2 4467 1.008000 0.423800 3.3227E+00 1.9144E+01 2.6473E-01 O6 4468 15.999400 -0.847600 7.2622E-01 -5.4442E+00 1.7550E+01 H1 4469 1.008000 0.423800 4.4981E-01 -4.9984E+00 1.8402E+01 H2 4470 1.008000 0.423800 1.6778E+00 -5.2136E+00 1.7347E+01 O6 4471 15.999400 -0.847600 5.8846E+00 2.9757E+00 -1.1377E+01 H1 4472 1.008000 0.423800 6.2753E+00 2.1377E+00 -1.1758E+01 H2 4473 1.008000 0.423800 5.6461E+00 3.6002E+00 -1.2121E+01 O6 4474 15.999400 -0.847600 1.9104E+01 -1.2719E+01 -2.4941E+00 H1 4475 1.008000 0.423800 -1.9093E+01 -1.3144E+01 -2.4024E+00 H2 4476 1.008000 0.423800 1.8461E+01 -1.3380E+01 -2.8816E+00 O6 4477 15.999400 -0.847600 -1.5851E+01 -1.7425E+01 1.7449E+01 H1 4478 1.008000 0.423800 -1.6337E+01 -1.7452E+01 1.8323E+01 H2 4479 1.008000 0.423800 -1.4880E+01 -1.7612E+01 1.7602E+01 O6 4480 15.999400 -0.847600 -2.6636E+00 -3.5795E+00 8.0054E+00 H1 4481 1.008000 0.423800 -3.0484E+00 -2.9797E+00 7.3038E+00 H2 4482 1.008000 0.423800 -2.4454E+00 -4.4678E+00 7.6013E+00 O6 4483 15.999400 -0.847600 1.3039E+01 7.1138E+00 1.8270E+01 H1 4484 1.008000 0.423800 1.2605E+01 7.9125E+00 1.8688E+01 H2 4485 1.008000 0.423800 1.3706E+01 6.7261E+00 1.8906E+01 O6 4486 15.999400 -0.847600 -4.3891E+00 -1.6778E+01 6.5277E+00 H1 4487 1.008000 0.423800 -4.7884E+00 -1.7141E+01 7.3696E+00 H2 4488 1.008000 0.423800 -3.8174E+00 -1.5986E+01 6.7443E+00 O6 4489 15.999400 -0.847600 -1.8617E+01 -1.1122E+01 1.6821E+01 H1 4490 1.008000 0.423800 -1.7750E+01 -1.0637E+01 1.6935E+01 H2 4491 1.008000 0.423800 -1.8817E+01 -1.1223E+01 1.5846E+01 O6 4492 15.999400 -0.847600 -1.6111E+01 -1.2012E+01 1.2150E+01 H1 4493 1.008000 0.423800 -1.5307E+01 -1.2061E+01 1.1557E+01 H2 4494 1.008000 0.423800 -1.6936E+01 -1.1940E+01 1.1588E+01 O6 4495 15.999400 -0.847600 1.8979E+00 8.9186E+00 -1.2162E+01 H1 4496 1.008000 0.423800 2.6037E+00 8.2202E+00 -1.2044E+01 H2 4497 1.008000 0.423800 9.9860E-01 8.5157E+00 -1.1992E+01 O6 4498 15.999400 -0.847600 -8.5314E+00 1.1240E+01 1.9985E+00 H1 4499 1.008000 0.423800 -8.9835E+00 1.0626E+01 1.3516E+00 H2 4500 1.008000 0.423800 -7.6212E+00 1.0886E+01 2.2136E+00 O6 4501 15.999400 -0.847600 7.4082E+00 -5.3579E+00 -6.8547E+00 H1 4502 1.008000 0.423800 6.8719E+00 -4.8860E+00 -7.5545E+00 H2 4503 1.008000 0.423800 8.3659E+00 -5.3980E+00 -7.1396E+00 O6 4504 15.999400 -0.847600 1.6761E+01 1.9938E+00 1.8815E+01 H1 4505 1.008000 0.423800 1.6438E+01 2.2497E+00 -1.9372E+01 H2 4506 1.008000 0.423800 1.6211E+01 2.4614E+00 1.8122E+01 O6 4507 15.999400 -0.847600 -1.3964E+01 -3.4170E+00 -1.4468E+01 H1 4508 1.008000 0.423800 -1.4359E+01 -2.6527E+00 -1.4977E+01 H2 4509 1.008000 0.423800 -1.4512E+01 -4.2393E+00 -1.4623E+01 O6 4510 15.999400 -0.847600 -1.4081E+01 -6.0731E-01 2.5171E+00 H1 4511 1.008000 0.423800 -1.3850E+01 -1.5672E+00 2.3587E+00 H2 4512 1.008000 0.423800 -1.4756E+01 -5.4411E-01 3.2527E+00 O6 4513 15.999400 -0.847600 1.6104E+01 -1.5946E+01 -1.3738E+01 H1 4514 1.008000 0.423800 1.6016E+01 -1.5947E+01 -1.2742E+01 H2 4515 1.008000 0.423800 1.5296E+01 -1.5519E+01 -1.4144E+01 O6 4516 15.999400 -0.847600 -1.0450E+01 -3.3807E+00 1.5528E+01 H1 4517 1.008000 0.423800 -9.9565E+00 -2.6844E+00 1.6049E+01 H2 4518 1.008000 0.423800 -1.1224E+01 -2.9582E+00 1.5057E+01 O6 4519 15.999400 -0.847600 2.6601E+00 1.3237E+01 -1.0838E+01 H1 4520 1.008000 0.423800 2.0247E+00 1.3281E+01 -1.1609E+01 H2 4521 1.008000 0.423800 2.9639E+00 1.2293E+01 -1.0710E+01 O6 4522 15.999400 -0.847600 -1.9001E+01 1.6185E+01 -1.4948E+01 H1 4523 1.008000 0.423800 -1.8353E+01 1.6663E+01 -1.4354E+01 H2 4524 1.008000 0.423800 -1.9197E+01 1.6750E+01 -1.5750E+01 O6 4525 15.999400 -0.847600 4.1075E+00 4.7071E+00 1.3286E+00 H1 4526 1.008000 0.423800 5.0375E+00 5.0740E+00 1.3496E+00 H2 4527 1.008000 0.423800 3.7649E+00 4.6136E+00 2.2634E+00 O6 4528 15.999400 -0.847600 -1.6061E+01 -4.0122E+00 -3.6148E-03 H1 4529 1.008000 0.423800 -1.5891E+01 -3.9976E+00 -9.8895E-01 H2 4530 1.008000 0.423800 -1.6400E+01 -4.9145E+00 2.6269E-01 O6 4531 15.999400 -0.847600 -1.4544E+01 -8.1937E+00 9.6348E+00 H1 4532 1.008000 0.423800 -1.4846E+01 -7.3509E+00 9.1891E+00 H2 4533 1.008000 0.423800 -1.3547E+01 -8.2501E+00 9.6002E+00 O6 4534 15.999400 -0.847600 -5.4714E+00 -1.1918E+01 -1.3620E+01 H1 4535 1.008000 0.423800 -4.6367E+00 -1.2253E+01 -1.4057E+01 H2 4536 1.008000 0.423800 -5.4730E+00 -1.0918E+01 -1.3628E+01 O6 4537 15.999400 -0.847600 1.5859E+01 1.1321E+00 -1.3262E+01 H1 4538 1.008000 0.423800 1.6041E+01 2.1139E+00 -1.3317E+01 H2 4539 1.008000 0.423800 1.4882E+01 9.8242E-01 -1.3113E+01 O6 4540 15.999400 -0.847600 1.1675E+00 -9.2607E+00 1.7961E+01 H1 4541 1.008000 0.423800 1.6393E+00 -9.0519E+00 1.7105E+01 H2 4542 1.008000 0.423800 1.3518E+00 -8.5385E+00 1.8628E+01 O6 4543 15.999400 -0.847600 -1.5668E+01 1.5476E+01 -6.1632E+00 H1 4544 1.008000 0.423800 -1.6124E+01 1.6062E+01 -5.4928E+00 H2 4545 1.008000 0.423800 -1.5676E+01 1.4530E+01 -5.8392E+00 O6 4546 15.999400 -0.847600 -1.2925E+01 -7.1834E+00 -2.0189E+00 H1 4547 1.008000 0.423800 -1.2755E+01 -6.3015E+00 -1.5790E+00 H2 4548 1.008000 0.423800 -1.2082E+01 -7.7211E+00 -2.0242E+00 O6 4549 15.999400 -0.847600 5.4845E+00 -1.5039E+01 -1.2872E+01 H1 4550 1.008000 0.423800 5.5362E+00 -1.4202E+01 -1.3416E+01 H2 4551 1.008000 0.423800 4.5911E+00 -1.5092E+01 -1.2426E+01 O6 4552 15.999400 -0.847600 2.7227E+00 -7.1565E+00 -7.0560E+00 H1 4553 1.008000 0.423800 3.6409E+00 -6.7965E+00 -6.8905E+00 H2 4554 1.008000 0.423800 2.0502E+00 -6.4287E+00 -6.9216E+00 O6 4555 15.999400 -0.847600 7.9374E+00 1.0312E+01 1.3178E+01 H1 4556 1.008000 0.423800 6.9579E+00 1.0114E+01 1.3136E+01 H2 4557 1.008000 0.423800 8.2526E+00 1.0623E+01 1.2281E+01 O6 4558 15.999400 -0.847600 -7.4518E+00 1.8280E+01 9.4309E+00 H1 4559 1.008000 0.423800 -7.7532E+00 1.9233E+01 9.3965E+00 H2 4560 1.008000 0.423800 -8.0750E+00 1.7754E+01 1.0010E+01 O6 4561 15.999400 -0.847600 -9.6741E+00 -7.8244E+00 1.7888E+01 H1 4562 1.008000 0.423800 -8.8113E+00 -7.9646E+00 1.8374E+01 H2 4563 1.008000 0.423800 -9.4951E+00 -7.7426E+00 1.6907E+01 O6 4564 15.999400 -0.847600 9.3619E+00 4.2803E+00 -6.0669E+00 H1 4565 1.008000 0.423800 9.0273E+00 5.2116E+00 -5.9222E+00 H2 4566 1.008000 0.423800 8.7103E+00 3.7765E+00 -6.6339E+00 O6 4567 15.999400 -0.847600 2.6735E+00 -1.2136E+01 -7.8004E+00 H1 4568 1.008000 0.423800 1.8309E+00 -1.2675E+01 -7.8046E+00 H2 4569 1.008000 0.423800 2.4471E+00 -1.1163E+01 -7.8300E+00 O6 4570 15.999400 -0.847600 -1.6459E+00 1.3748E+01 -1.6187E+01 H1 4571 1.008000 0.423800 -1.3915E+00 1.4368E+01 -1.5444E+01 H2 4572 1.008000 0.423800 -2.6068E+00 1.3890E+01 -1.6425E+01 O6 4573 15.999400 -0.847600 -1.8600E+01 6.7970E+00 -1.1633E+01 H1 4574 1.008000 0.423800 -1.8419E+01 5.9083E+00 -1.2054E+01 H2 4575 1.008000 0.423800 -1.8908E+01 7.4413E+00 -1.2333E+01 O6 4576 15.999400 -0.847600 -8.0904E+00 5.0660E+00 1.4936E+01 H1 4577 1.008000 0.423800 -8.8746E+00 5.5918E+00 1.5266E+01 H2 4578 1.008000 0.423800 -7.2469E+00 5.4644E+00 1.5296E+01 O6 4579 15.999400 -0.847600 1.7925E+01 -1.1330E+01 2.1305E+00 H1 4580 1.008000 0.423800 1.8298E+01 -1.1060E+01 1.2426E+00 H2 4581 1.008000 0.423800 1.8447E+01 -1.0886E+01 2.8595E+00 O6 4582 15.999400 -0.847600 -9.0872E+00 -1.5363E+01 7.0518E+00 H1 4583 1.008000 0.423800 -9.8250E+00 -1.5227E+01 7.7130E+00 H2 4584 1.008000 0.423800 -9.1077E+00 -1.4628E+01 6.3739E+00 O6 4585 15.999400 -0.847600 3.9400E+00 1.1924E+00 -9.9074E+00 H1 4586 1.008000 0.423800 4.3083E+00 2.1213E+00 -9.9448E+00 H2 4587 1.008000 0.423800 3.6501E+00 9.1173E-01 -1.0822E+01 O6 4588 15.999400 -0.847600 -2.6080E+00 1.8037E+01 1.7858E+01 H1 4589 1.008000 0.423800 -2.0928E+00 1.8867E+01 1.7644E+01 H2 4590 1.008000 0.423800 -3.0512E+00 1.8140E+01 1.8748E+01 O6 4591 15.999400 -0.847600 1.9309E+01 -3.3554E-01 -6.2810E+00 H1 4592 1.008000 0.423800 1.8581E+01 -7.0512E-01 -5.7029E+00 H2 4593 1.008000 0.423800 -1.8922E+01 -3.6101E-01 -5.7830E+00 O6 4594 15.999400 -0.847600 4.6946E+00 -1.8143E+01 -2.1888E+00 H1 4595 1.008000 0.423800 4.6742E+00 -1.9092E+01 -1.8750E+00 H2 4596 1.008000 0.423800 3.7703E+00 -1.7855E+01 -2.4391E+00 O6 4597 15.999400 -0.847600 8.1626E+00 1.5936E+01 1.2545E+01 H1 4598 1.008000 0.423800 8.8874E+00 1.6376E+01 1.3076E+01 H2 4599 1.008000 0.423800 8.4524E+00 1.5015E+01 1.2285E+01 O6 4600 15.999400 -0.847600 -1.1187E+01 -1.8218E+00 -8.2364E+00 H1 4601 1.008000 0.423800 -1.0501E+01 -1.4789E+00 -8.8788E+00 H2 4602 1.008000 0.423800 -1.1148E+01 -1.2880E+00 -7.3917E+00 O6 4603 15.999400 -0.847600 9.6146E+00 -4.6721E+00 3.6594E+00 H1 4604 1.008000 0.423800 9.2904E+00 -5.6144E+00 3.7435E+00 H2 4605 1.008000 0.423800 1.0024E+01 -4.3821E+00 4.5244E+00 O6 4606 15.999400 -0.847600 -1.1049E+01 1.5506E+01 -1.6294E+01 H1 4607 1.008000 0.423800 -1.1929E+01 1.5205E+01 -1.6661E+01 H2 4608 1.008000 0.423800 -1.1152E+01 1.6414E+01 -1.5886E+01 O6 4609 15.999400 -0.847600 4.7917E+00 -8.3987E+00 -1.9544E+01 H1 4610 1.008000 0.423800 4.9119E+00 -7.5597E+00 -1.9013E+01 H2 4611 1.008000 0.423800 5.6660E+00 -8.6638E+00 1.9147E+01 O6 4612 15.999400 -0.847600 3.9971E+00 -1.4364E+00 -1.3841E+01 H1 4613 1.008000 0.423800 3.4266E+00 -1.0543E+00 -1.4568E+01 H2 4614 1.008000 0.423800 3.4166E+00 -1.7311E+00 -1.3082E+01 O6 4615 15.999400 -0.847600 -9.0475E+00 1.8321E+00 1.0726E+01 H1 4616 1.008000 0.423800 -8.9395E+00 1.0471E+00 1.1336E+01 H2 4617 1.008000 0.423800 -9.2477E+00 1.5099E+00 9.8008E+00 O6 4618 15.999400 -0.847600 -3.1678E+00 1.2177E+00 -1.3922E+01 H1 4619 1.008000 0.423800 -3.2941E+00 2.0147E+00 -1.3332E+01 H2 4620 1.008000 0.423800 -3.1475E+00 1.5110E+00 -1.4878E+01 O6 4621 15.999400 -0.847600 2.6909E+00 2.9921E+00 -1.2344E+01 H1 4622 1.008000 0.423800 3.3182E+00 2.3033E+00 -1.2708E+01 H2 4623 1.008000 0.423800 1.7733E+00 2.6015E+00 -1.2271E+01 O6 4624 15.999400 -0.847600 -5.5492E+00 5.2090E-01 -1.6397E+01 H1 4625 1.008000 0.423800 -5.7773E+00 1.4306E+00 -1.6744E+01 H2 4626 1.008000 0.423800 -6.2239E+00 2.4683E-01 -1.5712E+01 O6 4627 15.999400 -0.847600 -1.5239E+01 -3.0863E+00 1.6641E+01 H1 4628 1.008000 0.423800 -1.5309E+01 -4.0695E+00 1.6472E+01 H2 4629 1.008000 0.423800 -1.5664E+01 -2.8678E+00 1.7519E+01 O6 4630 15.999400 -0.847600 1.1438E+01 -1.6912E+01 -9.1199E+00 H1 4631 1.008000 0.423800 1.1527E+01 -1.6059E+01 -8.6053E+00 H2 4632 1.008000 0.423800 1.0745E+01 -1.7491E+01 -8.6887E+00 O6 4633 15.999400 -0.847600 7.9371E+00 -1.7574E+01 -5.9501E-01 H1 4634 1.008000 0.423800 8.3887E+00 -1.8465E+01 -6.4156E-01 H2 4635 1.008000 0.423800 7.6915E+00 -1.7277E+01 -1.5175E+00 O6 4636 15.999400 -0.847600 1.6831E+01 1.8785E+01 3.9329E+00 H1 4637 1.008000 0.423800 1.5963E+01 1.9256E+01 4.0918E+00 H2 4638 1.008000 0.423800 1.6832E+01 1.8391E+01 3.0137E+00 O6 4639 15.999400 -0.847600 1.8074E+01 -6.3132E-01 9.2413E+00 H1 4640 1.008000 0.423800 1.7585E+01 -1.2017E+00 8.5819E+00 H2 4641 1.008000 0.423800 1.8060E+01 -1.0724E+00 1.0139E+01 O6 4642 15.999400 -0.847600 6.4597E+00 1.6801E+01 -1.2849E+01 H1 4643 1.008000 0.423800 7.3118E+00 1.6984E+01 -1.2359E+01 H2 4644 1.008000 0.423800 6.2635E+00 1.5821E+01 -1.2823E+01 O6 4645 15.999400 -0.847600 1.0507E+01 -1.3380E+01 -6.0991E+00 H1 4646 1.008000 0.423800 1.0145E+01 -1.3701E+01 -5.2238E+00 H2 4647 1.008000 0.423800 1.1038E+01 -1.2546E+01 -5.9543E+00 O6 4648 15.999400 -0.847600 -1.4163E+01 -1.9483E+01 9.5622E+00 H1 4649 1.008000 0.423800 -1.4202E+01 1.8643E+01 9.7956E+00 H2 4650 1.008000 0.423800 -1.4038E+01 -1.9382E+01 8.5752E+00 O6 4651 15.999400 -0.847600 -1.4835E+01 -1.3772E+01 5.6233E+00 H1 4652 1.008000 0.423800 -1.5237E+01 -1.3023E+01 5.0974E+00 H2 4653 1.008000 0.423800 -1.5487E+01 -1.4528E+01 5.6795E+00 O6 4654 15.999400 -0.847600 -6.3580E+00 3.3973E+00 1.0454E+01 H1 4655 1.008000 0.423800 -7.1740E+00 2.8208E+00 1.0411E+01 H2 4656 1.008000 0.423800 -6.6299E+00 4.3595E+00 1.0465E+01 O6 4657 15.999400 -0.847600 1.7534E+01 1.9291E+01 -8.0680E+00 H1 4658 1.008000 0.423800 1.7902E+01 1.8431E+01 -8.4225E+00 H2 4659 1.008000 0.423800 1.7415E+01 -1.9159E+01 -8.8211E+00 O6 4660 15.999400 -0.847600 9.6526E+00 1.4653E+01 -1.7488E+00 H1 4661 1.008000 0.423800 1.0502E+01 1.5175E+01 -1.8277E+00 H2 4662 1.008000 0.423800 9.8612E+00 1.3675E+01 -1.7569E+00 O6 4663 15.999400 -0.847600 1.3644E+01 -1.3378E+01 5.3248E+00 H1 4664 1.008000 0.423800 1.3813E+01 -1.2421E+01 5.5634E+00 H2 4665 1.008000 0.423800 1.2814E+01 -1.3695E+01 5.7841E+00 O6 4666 15.999400 -0.847600 -9.2136E+00 -1.4097E+01 1.2537E+00 H1 4667 1.008000 0.423800 -8.5544E+00 -1.3371E+01 1.0602E+00 H2 4668 1.008000 0.423800 -9.4385E+00 -1.4092E+01 2.2280E+00 O6 4669 15.999400 -0.847600 1.2391E+01 -1.8701E+01 1.7705E+00 H1 4670 1.008000 0.423800 1.2108E+01 -1.7882E+01 1.2706E+00 H2 4671 1.008000 0.423800 1.3300E+01 -1.8982E+01 1.4618E+00 O6 4672 15.999400 -0.847600 3.5348E-01 -1.4949E+00 6.7402E+00 H1 4673 1.008000 0.423800 4.0385E-01 -2.4127E+00 6.3462E+00 H2 4674 1.008000 0.423800 -1.7598E-01 -1.5248E+00 7.5880E+00 O6 4675 15.999400 -0.847600 -1.0676E+01 -1.4092E+01 1.6055E+01 H1 4676 1.008000 0.423800 -9.8206E+00 -1.3580E+01 1.6133E+01 H2 4677 1.008000 0.423800 -1.0751E+01 -1.4478E+01 1.5136E+01 O6 4678 15.999400 -0.847600 -2.0016E+00 -2.1347E+00 1.6890E+01 H1 4679 1.008000 0.423800 -2.3069E+00 -3.0468E+00 1.7164E+01 H2 4680 1.008000 0.423800 -1.3359E+00 -1.7931E+00 1.7554E+01 O6 4681 15.999400 -0.847600 -1.5107E+01 9.3377E+00 -1.1007E+01 H1 4682 1.008000 0.423800 -1.4222E+01 8.8940E+00 -1.1152E+01 H2 4683 1.008000 0.423800 -1.5033E+01 9.9872E+00 -1.0250E+01 O6 4684 15.999400 -0.847600 -4.4569E+00 -1.0380E+01 6.5430E+00 H1 4685 1.008000 0.423800 -5.3019E+00 -1.0475E+01 6.0168E+00 H2 4686 1.008000 0.423800 -3.7943E+00 -9.8473E+00 6.0161E+00 O6 4687 15.999400 -0.847600 4.9636E+00 -2.1583E-01 -1.3068E+00 H1 4688 1.008000 0.423800 4.5932E+00 7.0390E-01 -1.1766E+00 H2 4689 1.008000 0.423800 5.7044E+00 -3.7230E-01 -6.5357E-01 O6 4690 15.999400 -0.847600 -1.7583E+01 1.8309E+00 8.0324E+00 H1 4691 1.008000 0.423800 -1.7005E+01 1.6328E+00 8.8242E+00 H2 4692 1.008000 0.423800 -1.7132E+01 2.5091E+00 7.4521E+00 O6 4693 15.999400 -0.847600 6.4048E-01 9.5290E-01 -1.8710E+01 H1 4694 1.008000 0.423800 2.9163E-01 8.9819E-01 -1.7774E+01 H2 4695 1.008000 0.423800 6.0661E-01 1.9019E+00 -1.9023E+01 O6 4696 15.999400 -0.847600 -1.8121E+01 1.6403E+01 -1.7819E+01 H1 4697 1.008000 0.423800 -1.8420E+01 1.6649E+01 -1.8741E+01 H2 4698 1.008000 0.423800 -1.8078E+01 1.7226E+01 -1.7252E+01 O6 4699 15.999400 -0.847600 -8.8610E+00 -1.9254E+01 -1.1157E+01 H1 4700 1.008000 0.423800 -9.5724E+00 -1.8551E+01 -1.1163E+01 H2 4701 1.008000 0.423800 -8.2782E+00 -1.9132E+01 -1.0354E+01 O6 4702 15.999400 -0.847600 -1.9039E+01 8.5322E+00 -1.3570E+01 H1 4703 1.008000 0.423800 -1.8323E+01 9.2193E+00 -1.3693E+01 H2 4704 1.008000 0.423800 1.9172E+01 8.9867E+00 -1.3485E+01 O6 4705 15.999400 -0.847600 -1.8506E+01 -1.2244E+01 1.4005E+01 H1 4706 1.008000 0.423800 -1.7633E+01 -1.2073E+01 1.3547E+01 H2 4707 1.008000 0.423800 -1.8796E+01 -1.3184E+01 1.3830E+01 O6 4708 15.999400 -0.847600 -1.6093E+01 -1.7315E+01 -2.9167E+00 H1 4709 1.008000 0.423800 -1.5756E+01 -1.6724E+01 -3.6498E+00 H2 4710 1.008000 0.423800 -1.7020E+01 -1.7620E+01 -3.1343E+00 O6 4711 15.999400 -0.847600 8.9684E+00 1.4242E+01 7.9678E-01 H1 4712 1.008000 0.423800 8.4332E+00 1.5057E+01 1.0180E+00 H2 4713 1.008000 0.423800 9.1636E+00 1.4227E+01 -1.8387E-01 O6 4714 15.999400 -0.847600 -6.3473E+00 6.2961E+00 1.1067E+01 H1 4715 1.008000 0.423800 -5.8770E+00 6.2890E+00 1.1949E+01 H2 4716 1.008000 0.423800 -7.1698E+00 6.8611E+00 1.1132E+01 O6 4717 15.999400 -0.847600 8.2993E-01 -1.9085E+01 1.5576E+01 H1 4718 1.008000 0.423800 1.1442E+00 -1.8583E+01 1.4770E+01 H2 4719 1.008000 0.423800 4.1040E-01 1.9152E+01 1.5290E+01 O6 4720 15.999400 -0.847600 -1.1023E+01 9.6091E+00 -9.7130E+00 H1 4721 1.008000 0.423800 -1.0712E+01 8.9650E+00 -1.0412E+01 H2 4722 1.008000 0.423800 -1.1203E+01 1.0498E+01 -1.0135E+01 O6 4723 15.999400 -0.847600 1.9474E+01 1.6008E+01 3.3978E+00 H1 4724 1.008000 0.423800 -1.8695E+01 1.6107E+01 3.7571E+00 H2 4725 1.008000 0.423800 1.9300E+01 1.6723E+01 2.7213E+00 O6 4726 15.999400 -0.847600 -1.8474E+01 -1.5126E+01 1.3780E+01 H1 4727 1.008000 0.423800 -1.7705E+01 -1.5435E+01 1.3221E+01 H2 4728 1.008000 0.423800 -1.8350E+01 -1.5441E+01 1.4721E+01 O6 4729 15.999400 -0.847600 -1.2202E+01 -6.0100E+00 1.1062E+01 H1 4730 1.008000 0.423800 -1.2107E+01 -6.8055E+00 1.0463E+01 H2 4731 1.008000 0.423800 -1.1295E+01 -5.6847E+00 1.1329E+01 O6 4732 15.999400 -0.847600 1.8976E+01 5.7256E+00 -9.3722E+00 H1 4733 1.008000 0.423800 1.8821E+01 4.9158E+00 -9.9380E+00 H2 4734 1.008000 0.423800 -1.9548E+01 6.3754E+00 -9.8705E+00 O6 4735 15.999400 -0.847600 1.4737E+01 -4.9625E+00 7.1894E+00 H1 4736 1.008000 0.423800 1.5377E+01 -4.9021E+00 6.4235E+00 H2 4737 1.008000 0.423800 1.4604E+01 -4.0536E+00 7.5846E+00 O6 4738 15.999400 -0.847600 -1.5006E+00 -1.7473E+01 1.1644E+01 H1 4739 1.008000 0.423800 -9.3361E-01 -1.7758E+01 1.0871E+01 H2 4740 1.008000 0.423800 -9.2446E-01 -1.7044E+01 1.2339E+01 O6 4741 15.999400 -0.847600 1.1826E+01 6.8619E+00 -7.2760E+00 H1 4742 1.008000 0.423800 1.2690E+01 7.2302E+00 -6.9328E+00 H2 4743 1.008000 0.423800 1.1065E+01 7.3944E+00 -6.9042E+00 O6 4744 15.999400 -0.847600 8.7064E+00 -8.1875E+00 -3.0172E+00 H1 4745 1.008000 0.423800 8.8940E+00 -8.9802E+00 -3.5973E+00 H2 4746 1.008000 0.423800 8.6187E+00 -7.3707E+00 -3.5873E+00 O6 4747 15.999400 -0.847600 1.6849E+01 1.1983E+01 9.5963E+00 H1 4748 1.008000 0.423800 1.6514E+01 1.2831E+01 9.1854E+00 H2 4749 1.008000 0.423800 1.7790E+01 1.1820E+01 9.3026E+00 O6 4750 15.999400 -0.847600 7.6317E+00 1.7862E+01 -8.6978E+00 H1 4751 1.008000 0.423800 7.0049E+00 1.8622E+01 -8.5279E+00 H2 4752 1.008000 0.423800 7.1254E+00 1.7000E+01 -8.6694E+00 O6 4753 15.999400 -0.847600 1.7730E+01 -1.8190E+01 5.5377E+00 H1 4754 1.008000 0.423800 1.7681E+01 -1.8333E+01 6.5262E+00 H2 4755 1.008000 0.423800 1.7429E+01 -1.9019E+01 5.0655E+00 O6 4756 15.999400 -0.847600 -5.6718E+00 5.0008E-01 -7.3028E-01 H1 4757 1.008000 0.423800 -5.2830E+00 1.3474E+00 -1.0920E+00 H2 4758 1.008000 0.423800 -6.5931E+00 6.7730E-01 -3.8405E-01 O6 4759 15.999400 -0.847600 1.6850E+00 6.8130E+00 -7.9367E+00 H1 4760 1.008000 0.423800 1.9337E+00 7.4915E+00 -7.2454E+00 H2 4761 1.008000 0.423800 8.9548E-01 7.1402E+00 -8.4558E+00 O6 4762 15.999400 -0.847600 9.6280E+00 -1.2155E+01 1.7355E+01 H1 4763 1.008000 0.423800 8.7619E+00 -1.2314E+01 1.6881E+01 H2 4764 1.008000 0.423800 9.6880E+00 -1.2758E+01 1.8151E+01 O6 4765 15.999400 -0.847600 -2.9119E+00 1.6791E+00 -7.6747E+00 H1 4766 1.008000 0.423800 -2.3324E+00 1.0776E+00 -7.1248E+00 H2 4767 1.008000 0.423800 -3.1951E+00 2.4641E+00 -7.1237E+00 O6 4768 15.999400 -0.847600 1.7917E+01 -3.9523E+00 2.4525E+00 H1 4769 1.008000 0.423800 1.7972E+01 -3.8319E+00 3.4437E+00 H2 4770 1.008000 0.423800 1.7124E+01 -3.4555E+00 2.1002E+00 O6 4771 15.999400 -0.847600 -1.9420E+01 1.5411E+01 1.9026E+01 H1 4772 1.008000 0.423800 -1.9545E+01 1.4631E+01 -1.9458E+01 H2 4773 1.008000 0.423800 1.8862E+01 1.5989E+01 1.9051E+01 O6 4774 15.999400 -0.847600 -1.3061E+01 1.3986E+01 -1.6534E+00 H1 4775 1.008000 0.423800 -1.2750E+01 1.4828E+01 -2.0941E+00 H2 4776 1.008000 0.423800 -1.2565E+01 1.3857E+01 -7.9439E-01 O6 4777 15.999400 -0.847600 4.0612E+00 -5.0017E-01 1.0386E+01 H1 4778 1.008000 0.423800 3.8975E+00 -4.6447E-01 9.3999E+00 H2 4779 1.008000 0.423800 3.2292E+00 -2.3240E-01 1.0872E+01 O6 4780 15.999400 -0.847600 1.8922E+01 1.8148E+01 1.6071E+00 H1 4781 1.008000 0.423800 1.9506E+01 1.7458E+01 1.1792E+00 H2 4782 1.008000 0.423800 1.9379E+01 1.9037E+01 1.5769E+00 O6 4783 15.999400 -0.847600 1.1158E+01 -8.3040E+00 8.4203E+00 H1 4784 1.008000 0.423800 1.1259E+01 -8.4853E+00 9.3985E+00 H2 4785 1.008000 0.423800 1.1121E+01 -9.1707E+00 7.9229E+00 O6 4786 15.999400 -0.847600 -1.2641E+00 -1.4481E+01 -1.2342E+00 H1 4787 1.008000 0.423800 -1.4011E+00 -1.3947E+01 -3.9975E-01 H2 4788 1.008000 0.423800 -2.0673E+00 -1.4391E+01 -1.8231E+00 O6 4789 15.999400 -0.847600 1.2495E+01 7.8519E+00 3.1130E+00 H1 4790 1.008000 0.423800 1.2352E+01 6.8951E+00 3.3664E+00 H2 4791 1.008000 0.423800 1.1632E+01 8.3509E+00 3.1960E+00 O6 4792 15.999400 -0.847600 5.5880E+00 -1.1593E+00 1.9113E+01 H1 4793 1.008000 0.423800 4.6389E+00 -1.4739E+00 1.9124E+01 H2 4794 1.008000 0.423800 5.8417E+00 -8.3510E-01 -1.9073E+01 O6 4795 15.999400 -0.847600 -3.3655E+00 -1.2466E+01 -1.5606E+01 H1 4796 1.008000 0.423800 -2.8574E+00 -1.3169E+01 -1.5108E+01 H2 4797 1.008000 0.423800 -2.9758E+00 -1.1567E+01 -1.5404E+01 O6 4798 15.999400 -0.847600 1.6674E+01 -5.6416E+00 -1.8643E+01 H1 4799 1.008000 0.423800 1.5776E+01 -5.6347E+00 -1.9083E+01 H2 4800 1.008000 0.423800 1.6574E+01 -5.9108E+00 -1.7685E+01 O6 4801 15.999400 -0.847600 6.1395E+00 1.7088E+01 1.7797E+01 H1 4802 1.008000 0.423800 6.0005E+00 1.7815E+01 1.7125E+01 H2 4803 1.008000 0.423800 6.9832E+00 1.6595E+01 1.7585E+01 O6 4804 15.999400 -0.847600 8.3416E+00 1.8296E+01 -4.4777E+00 H1 4805 1.008000 0.423800 8.9770E+00 1.7524E+01 -4.4808E+00 H2 4806 1.008000 0.423800 8.7681E+00 1.9080E+01 -4.9284E+00 O6 4807 15.999400 -0.847600 4.2035E+00 1.1134E+00 -1.3520E+01 H1 4808 1.008000 0.423800 4.3293E+00 1.2891E-01 -1.3643E+01 H2 4809 1.008000 0.423800 5.0833E+00 1.5376E+00 -1.3306E+01 O6 4810 15.999400 -0.847600 -1.6870E+01 9.5771E+00 1.1232E+01 H1 4811 1.008000 0.423800 -1.7306E+01 8.7308E+00 1.1538E+01 H2 4812 1.008000 0.423800 -1.6022E+01 9.7187E+00 1.1742E+01 O6 4813 15.999400 -0.847600 -1.3639E+01 1.2307E+01 1.4255E+01 H1 4814 1.008000 0.423800 -1.3975E+01 1.3235E+01 1.4097E+01 H2 4815 1.008000 0.423800 -1.3135E+01 1.2278E+01 1.5118E+01 O6 4816 15.999400 -0.847600 1.9387E+01 1.9309E+01 1.8019E+01 H1 4817 1.008000 0.423800 1.9128E+01 1.9096E+01 1.8961E+01 H2 4818 1.008000 0.423800 1.9449E+01 -1.8797E+01 1.7907E+01 O6 4819 15.999400 -0.847600 1.8680E+01 -6.2462E+00 1.5108E+01 H1 4820 1.008000 0.423800 1.9321E+01 -5.7345E+00 1.5680E+01 H2 4821 1.008000 0.423800 1.7916E+01 -5.6543E+00 1.4851E+01 O6 4822 15.999400 -0.847600 -2.8734E+00 1.7369E+01 1.2749E+00 H1 4823 1.008000 0.423800 -2.3638E+00 1.8229E+01 1.2445E+00 H2 4824 1.008000 0.423800 -3.6271E+00 1.7451E+01 1.9270E+00 O6 4825 15.999400 -0.847600 -1.7235E+01 -1.1804E+01 -5.8556E+00 H1 4826 1.008000 0.423800 -1.7809E+01 -1.1008E+01 -5.6620E+00 H2 4827 1.008000 0.423800 -1.7614E+01 -1.2608E+01 -5.3974E+00 O6 4828 15.999400 -0.847600 7.6328E-01 5.4702E+00 -4.9561E+00 H1 4829 1.008000 0.423800 5.5284E-01 4.7188E+00 -5.5815E+00 H2 4830 1.008000 0.423800 4.1150E-01 6.3267E+00 -5.3340E+00 O6 4831 15.999400 -0.847600 1.3594E+01 -4.2526E+00 -9.5681E+00 H1 4832 1.008000 0.423800 1.4025E+01 -4.9344E+00 -8.9768E+00 H2 4833 1.008000 0.423800 1.3900E+01 -3.3388E+00 -9.3004E+00 O6 4834 15.999400 -0.847600 -1.2454E+01 -5.0158E+00 -3.7990E-01 H1 4835 1.008000 0.423800 -1.3284E+01 -4.6903E+00 7.2998E-02 H2 4836 1.008000 0.423800 -1.1836E+01 -4.2455E+00 -5.3689E-01 O6 4837 15.999400 -0.847600 -1.5930E+01 7.9643E+00 7.5079E+00 H1 4838 1.008000 0.423800 -1.5115E+01 7.4074E+00 7.3460E+00 H2 4839 1.008000 0.423800 -1.6677E+01 7.3783E+00 7.8209E+00 O6 4840 15.999400 -0.847600 -1.0941E+01 -9.8005E+00 -5.2015E+00 H1 4841 1.008000 0.423800 -1.1687E+01 -9.4471E+00 -5.7658E+00 H2 4842 1.008000 0.423800 -1.0384E+01 -9.0389E+00 -4.8711E+00 O6 4843 15.999400 -0.847600 -1.6322E-01 1.0844E+01 -7.0502E+00 H1 4844 1.008000 0.423800 -8.8892E-01 1.1501E+01 -6.8484E+00 H2 4845 1.008000 0.423800 -5.5660E-01 1.0040E+01 -7.4966E+00 O6 4846 15.999400 -0.847600 3.1406E+00 1.8444E+01 -1.7707E+01 H1 4847 1.008000 0.423800 2.2601E+00 1.7980E+01 -1.7611E+01 H2 4848 1.008000 0.423800 3.1238E+00 1.9301E+01 -1.7192E+01 O6 4849 15.999400 -0.847600 9.8743E+00 -1.1649E+01 -9.6131E+00 H1 4850 1.008000 0.423800 9.5615E+00 -1.2171E+01 -8.8200E+00 H2 4851 1.008000 0.423800 1.0191E+01 -1.2278E+01 -1.0323E+01 O6 4852 15.999400 -0.847600 -1.1576E+00 -1.4771E+01 1.8549E+01 H1 4853 1.008000 0.423800 -1.6707E+00 -1.3966E+01 1.8253E+01 H2 4854 1.008000 0.423800 -4.2026E-01 -1.4490E+01 1.9163E+01 O6 4855 15.999400 -0.847600 -1.7775E+01 3.9437E+00 4.4488E+00 H1 4856 1.008000 0.423800 -1.7340E+01 4.1463E+00 3.5715E+00 H2 4857 1.008000 0.423800 -1.7078E+01 3.8977E+00 5.1640E+00 O6 4858 15.999400 -0.847600 6.0319E+00 1.9127E+01 1.5561E+01 H1 4859 1.008000 0.423800 5.3397E+00 -1.9266E+01 1.5400E+01 H2 4860 1.008000 0.423800 6.1571E+00 1.8587E+01 1.4729E+01 O6 4861 15.999400 -0.847600 1.7580E+01 -9.0872E+00 8.8829E+00 H1 4862 1.008000 0.423800 1.8515E+01 -8.8288E+00 9.1246E+00 H2 4863 1.008000 0.423800 1.7037E+01 -8.2627E+00 8.7227E+00 O6 4864 15.999400 -0.847600 -1.8367E+01 -6.0986E+00 5.7500E+00 H1 4865 1.008000 0.423800 -1.8343E+01 -6.0960E+00 4.7503E+00 H2 4866 1.008000 0.423800 -1.8661E+01 -5.2009E+00 6.0786E+00 O6 4867 15.999400 -0.847600 8.8091E+00 -6.8334E+00 -3.1401E-01 H1 4868 1.008000 0.423800 8.9029E+00 -7.1886E+00 -1.2441E+00 H2 4869 1.008000 0.423800 8.6754E+00 -5.8429E+00 -3.4742E-01 O6 4870 15.999400 -0.847600 1.7703E+01 -8.0343E+00 -1.9393E+01 H1 4871 1.008000 0.423800 1.7688E+01 -8.2649E+00 1.8732E+01 H2 4872 1.008000 0.423800 1.7285E+01 -7.1360E+00 -1.9257E+01 O6 4873 15.999400 -0.847600 -1.7372E+01 1.4362E+01 9.2718E+00 H1 4874 1.008000 0.423800 -1.6536E+01 1.4745E+01 8.8786E+00 H2 4875 1.008000 0.423800 -1.7140E+01 1.3580E+01 9.8511E+00 O6 4876 15.999400 -0.847600 -2.3195E+00 -9.9401E+00 1.8713E+01 H1 4877 1.008000 0.423800 -1.4735E+00 -9.9311E+00 1.9246E+01 H2 4878 1.008000 0.423800 -3.1006E+00 -9.8177E+00 1.9325E+01 O6 4879 15.999400 -0.847600 -1.3616E+01 -6.4739E+00 1.7700E+01 H1 4880 1.008000 0.423800 -1.2817E+01 -5.9795E+00 1.8042E+01 H2 4881 1.008000 0.423800 -1.3695E+01 -7.3502E+00 1.8175E+01 O6 4882 15.999400 -0.847600 -1.7903E+01 -2.6399E-01 6.1854E+00 H1 4883 1.008000 0.423800 -1.8483E+01 5.3092E-02 5.4346E+00 H2 4884 1.008000 0.423800 -1.7832E+01 4.5420E-01 6.8775E+00 O6 4885 15.999400 -0.847600 -5.5227E+00 -1.6607E+01 -1.5520E+01 H1 4886 1.008000 0.423800 -5.8472E+00 -1.5661E+01 -1.5535E+01 H2 4887 1.008000 0.423800 -5.2867E+00 -1.6863E+01 -1.4583E+01 O6 4888 15.999400 -0.847600 1.4784E+01 -9.1360E+00 -3.9612E+00 H1 4889 1.008000 0.423800 1.5213E+01 -8.3440E+00 -3.5265E+00 H2 4890 1.008000 0.423800 1.5028E+01 -9.1567E+00 -4.9307E+00 O6 4891 15.999400 -0.847600 -5.5032E+00 -9.9658E+00 -3.2212E+00 H1 4892 1.008000 0.423800 -5.6260E+00 -9.6547E+00 -2.2788E+00 H2 4893 1.008000 0.423800 -6.3964E+00 -1.0055E+01 -3.6619E+00 O6 4894 15.999400 -0.847600 6.1705E+00 -2.7010E+00 -1.4789E+01 H1 4895 1.008000 0.423800 5.2622E+00 -2.4382E+00 -1.4464E+01 H2 4896 1.008000 0.423800 6.8503E+00 -2.4890E+00 -1.4087E+01 O6 4897 15.999400 -0.847600 1.2023E+01 1.8938E+01 -8.4797E+00 H1 4898 1.008000 0.423800 1.1329E+01 -1.9533E+01 -8.1245E+00 H2 4899 1.008000 0.423800 1.2910E+01 1.9158E+01 -8.0723E+00 O6 4900 15.999400 -0.847600 -3.3803E+00 -1.6158E+01 1.6736E+01 H1 4901 1.008000 0.423800 -3.2905E+00 -1.7152E+01 1.6808E+01 H2 4902 1.008000 0.423800 -2.9696E+00 -1.5727E+01 1.7539E+01 O6 4903 15.999400 -0.847600 6.9585E-01 1.7281E+01 -1.4332E+01 H1 4904 1.008000 0.423800 9.3921E-01 1.6999E+01 -1.5260E+01 H2 4905 1.008000 0.423800 1.4821E+00 1.7153E+01 -1.3728E+01 O6 4906 15.999400 -0.847600 -8.3783E+00 -1.3332E+01 -2.0716E+00 H1 4907 1.008000 0.423800 -9.1491E+00 -1.2770E+01 -1.7728E+00 H2 4908 1.008000 0.423800 -8.5413E+00 -1.4285E+01 -1.8137E+00 O6 4909 15.999400 -0.847600 1.1349E+00 -6.2307E+00 -1.0118E+01 H1 4910 1.008000 0.423800 4.3703E-01 -5.5934E+00 -1.0445E+01 H2 4911 1.008000 0.423800 7.1874E-01 -6.8856E+00 -9.4875E+00 O6 4912 15.999400 -0.847600 8.4028E+00 -1.3210E+01 1.2983E+01 H1 4913 1.008000 0.423800 8.0746E+00 -1.3126E+01 1.2042E+01 H2 4914 1.008000 0.423800 8.2331E+00 -1.4138E+01 1.3314E+01 O6 4915 15.999400 -0.847600 -5.3932E-01 4.0501E+00 -9.4669E+00 H1 4916 1.008000 0.423800 -2.9718E-01 5.0103E+00 -9.6064E+00 H2 4917 1.008000 0.423800 -1.4222E+00 3.8631E+00 -9.8975E+00 O6 4918 15.999400 -0.847600 -4.5509E-01 -1.1752E+01 -1.5595E+00 H1 4919 1.008000 0.423800 -7.2247E-01 -1.2715E+01 -1.5319E+00 H2 4920 1.008000 0.423800 -1.1719E+00 -1.1220E+01 -2.0102E+00 O6 4921 15.999400 -0.847600 1.7577E+01 -1.5634E+01 4.7344E-01 H1 4922 1.008000 0.423800 1.7069E+01 -1.4811E+01 7.2731E-01 H2 4923 1.008000 0.423800 1.7486E+01 -1.6319E+01 1.1969E+00 O6 4924 15.999400 -0.847600 1.8491E+01 -1.2325E+01 1.0511E+01 H1 4925 1.008000 0.423800 1.9367E+01 -1.2025E+01 1.0133E+01 H2 4926 1.008000 0.423800 1.7914E+01 -1.1528E+01 1.0689E+01 O6 4927 15.999400 -0.847600 -9.5472E+00 -7.0237E-01 1.1915E+00 H1 4928 1.008000 0.423800 -8.9600E+00 -1.2858E-01 6.2052E-01 H2 4929 1.008000 0.423800 -9.9768E+00 -1.4063E+00 6.2592E-01 O6 4930 15.999400 -0.847600 9.5180E+00 6.4407E+00 8.7559E+00 H1 4931 1.008000 0.423800 8.9691E+00 6.9663E+00 8.1059E+00 H2 4932 1.008000 0.423800 1.0489E+01 6.6153E+00 8.5902E+00 O6 4933 15.999400 -0.847600 -5.5003E+00 -1.6572E+01 9.4222E+00 H1 4934 1.008000 0.423800 -5.8187E+00 -1.7439E+01 9.8055E+00 H2 4935 1.008000 0.423800 -4.5296E+00 -1.6452E+01 9.6304E+00 O6 4936 15.999400 -0.847600 -1.7070E+01 1.9097E+01 1.9009E+01 H1 4937 1.008000 0.423800 -1.7057E+01 -1.9045E+01 1.9304E+01 H2 4938 1.008000 0.423800 -1.7956E+01 1.8888E+01 1.8594E+01 O6 4939 15.999400 -0.847600 1.1545E+01 1.1881E+01 -1.7482E+01 H1 4940 1.008000 0.423800 1.2265E+01 1.1878E+01 -1.6787E+01 H2 4941 1.008000 0.423800 1.1838E+01 1.1334E+01 -1.8266E+01 O6 4942 15.999400 -0.847600 1.1575E+01 -8.4161E+00 1.1167E+01 H1 4943 1.008000 0.423800 1.1221E+01 -9.2918E+00 1.1495E+01 H2 4944 1.008000 0.423800 1.1119E+01 -7.6696E+00 1.1652E+01 O6 4945 15.999400 -0.847600 1.1372E+01 -1.0580E+01 7.2274E+00 H1 4946 1.008000 0.423800 1.0806E+01 -1.0994E+01 6.5144E+00 H2 4947 1.008000 0.423800 1.2318E+01 -1.0519E+01 6.9084E+00 O6 4948 15.999400 -0.847600 2.2527E+00 -5.0832E+00 9.3154E+00 H1 4949 1.008000 0.423800 1.3966E+00 -5.5998E+00 9.3331E+00 H2 4950 1.008000 0.423800 2.1586E+00 -4.2629E+00 9.8795E+00 O6 4951 15.999400 -0.847600 1.8347E+01 -1.4901E+01 -1.8062E+01 H1 4952 1.008000 0.423800 1.7381E+01 -1.4699E+01 -1.7902E+01 H2 4953 1.008000 0.423800 1.8714E+01 -1.4261E+01 -1.8737E+01 O6 4954 15.999400 -0.847600 -1.3700E+01 -8.6786E+00 9.3761E-01 H1 4955 1.008000 0.423800 -1.4098E+01 -9.4589E+00 4.5551E-01 H2 4956 1.008000 0.423800 -1.3074E+01 -8.1933E+00 3.2651E-01 O6 4957 15.999400 -0.847600 -1.3168E+01 -1.2719E+01 1.5686E+01 H1 4958 1.008000 0.423800 -1.3244E+01 -1.1785E+01 1.6035E+01 H2 4959 1.008000 0.423800 -1.2211E+01 -1.3006E+01 1.5707E+01 O6 4960 15.999400 -0.847600 -1.9373E+00 3.8079E+00 1.1269E+01 H1 4961 1.008000 0.423800 -2.8936E+00 3.6838E+00 1.1534E+01 H2 4962 1.008000 0.423800 -1.4079E+00 4.1080E+00 1.2062E+01 O6 4963 15.999400 -0.847600 6.3950E+00 -1.9052E+01 1.3249E+00 H1 4964 1.008000 0.423800 6.2425E+00 -1.8078E+01 1.4910E+00 H2 4965 1.008000 0.423800 7.3608E+00 -1.9268E+01 1.4687E+00 O6 4966 15.999400 -0.847600 3.7857E+00 -1.6332E+01 -1.0761E+01 H1 4967 1.008000 0.423800 4.3502E+00 -1.7125E+01 -1.0990E+01 H2 4968 1.008000 0.423800 4.2839E+00 -1.5740E+01 -1.0128E+01 O6 4969 15.999400 -0.847600 7.7700E+00 -1.9507E+01 -1.1573E+01 H1 4970 1.008000 0.423800 8.5329E+00 -1.9117E+01 -1.2089E+01 H2 4971 1.008000 0.423800 8.0373E+00 1.9478E+01 -1.0616E+01 O6 4972 15.999400 -0.847600 1.0610E+01 -1.6959E+01 -2.1754E+00 H1 4973 1.008000 0.423800 1.0736E+01 -1.6907E+01 -3.1661E+00 H2 4974 1.008000 0.423800 1.0905E+01 -1.7858E+01 -1.8489E+00 O6 4975 15.999400 -0.847600 -6.3882E+00 3.7305E+00 -1.4107E+01 H1 4976 1.008000 0.423800 -6.0882E+00 3.4739E+00 -1.5026E+01 H2 4977 1.008000 0.423800 -7.3317E+00 3.4295E+00 -1.3968E+01 O6 4978 15.999400 -0.847600 -1.3297E+01 2.9657E+00 -1.8983E+01 H1 4979 1.008000 0.423800 -1.4073E+01 3.4120E+00 -1.9427E+01 H2 4980 1.008000 0.423800 -1.3631E+01 2.2717E+00 -1.8345E+01 O6 4981 15.999400 -0.847600 -1.5718E+01 1.7733E+00 -1.7871E+01 H1 4982 1.008000 0.423800 -1.6491E+01 2.2827E+00 -1.7493E+01 H2 4983 1.008000 0.423800 -1.5930E+01 7.9604E-01 -1.7869E+01 O6 4984 15.999400 -0.847600 1.2831E+01 3.5325E+00 1.6406E+01 H1 4985 1.008000 0.423800 1.2866E+01 2.5387E+00 1.6300E+01 H2 4986 1.008000 0.423800 1.2216E+01 3.7655E+00 1.7159E+01 O6 4987 15.999400 -0.847600 -3.2345E+00 5.6843E+00 -8.6537E+00 H1 4988 1.008000 0.423800 -3.2696E+00 5.4203E+00 -7.6898E+00 H2 4989 1.008000 0.423800 -3.0204E+00 4.8823E+00 -9.2113E+00 O6 4990 15.999400 -0.847600 -9.5265E+00 -1.5329E+01 -1.2123E+01 H1 4991 1.008000 0.423800 -9.0657E+00 -1.5258E+01 -1.3008E+01 H2 4992 1.008000 0.423800 -9.5407E+00 -1.4432E+01 -1.1682E+01 O6 4993 15.999400 -0.847600 -1.6756E+01 -4.3651E+00 1.2890E+01 H1 4994 1.008000 0.423800 -1.5932E+01 -4.7265E+00 1.3327E+01 H2 4995 1.008000 0.423800 -1.6500E+01 -3.6690E+00 1.2220E+01 O6 4996 15.999400 -0.847600 -2.8131E+00 -1.0408E+01 -3.0960E+00 H1 4997 1.008000 0.423800 -2.3036E+00 -9.6455E+00 -2.6980E+00 H2 4998 1.008000 0.423800 -3.7502E+00 -1.0118E+01 -3.2899E+00 O6 4999 15.999400 -0.847600 -4.3436E+00 -1.9217E+01 -1.9466E+01 H1 5000 1.008000 0.423800 -4.3050E+00 -1.8306E+01 -1.9055E+01 H2 5001 1.008000 0.423800 -4.0478E+00 1.9199E+01 -1.8797E+01 O6 5002 15.999400 -0.847600 3.3505E+00 1.1536E+01 1.3972E+01 H1 5003 1.008000 0.423800 2.4718E+00 1.1675E+01 1.3515E+01 H2 5004 1.008000 0.423800 3.9182E+00 1.2352E+01 1.3858E+01 O6 5005 15.999400 -0.847600 -1.8765E+01 -1.2963E+01 5.9751E+00 H1 5006 1.008000 0.423800 -1.9353E+01 -1.2581E+01 6.6882E+00 H2 5007 1.008000 0.423800 -1.8443E+01 -1.3866E+01 6.2573E+00 O6 5008 15.999400 -0.847600 4.6343E+00 -1.4153E+01 1.1747E+01 H1 5009 1.008000 0.423800 5.1819E+00 -1.4990E+01 1.1754E+01 H2 5010 1.008000 0.423800 4.1340E+00 -1.4074E+01 1.2609E+01 O6 5011 15.999400 -0.847600 -1.8812E+01 -1.4684E+01 -1.1667E+01 H1 5012 1.008000 0.423800 -1.9260E+01 -1.5487E+01 -1.2060E+01 H2 5013 1.008000 0.423800 -1.7860E+01 -1.4652E+01 -1.1970E+01 O6 5014 15.999400 -0.847600 -1.5093E+01 1.6653E+01 -1.5646E+01 H1 5015 1.008000 0.423800 -1.4480E+01 1.6176E+01 -1.6276E+01 H2 5016 1.008000 0.423800 -1.4803E+01 1.7606E+01 -1.5557E+01 O6 5017 15.999400 -0.847600 5.2594E+00 -5.6309E+00 8.9637E+00 H1 5018 1.008000 0.423800 5.3291E+00 -5.6522E+00 7.9664E+00 H2 5019 1.008000 0.423800 4.4203E+00 -5.1561E+00 9.2291E+00 O6 5020 15.999400 -0.847600 -1.5270E+01 3.1873E+00 1.5395E+01 H1 5021 1.008000 0.423800 -1.6188E+01 3.4716E+00 1.5669E+01 H2 5022 1.008000 0.423800 -1.4983E+01 2.4070E+00 1.5950E+01 O6 5023 15.999400 -0.847600 -1.4982E+01 -8.5647E+00 1.8867E+01 H1 5024 1.008000 0.423800 -1.5461E+01 -8.8973E+00 1.8055E+01 H2 5025 1.008000 0.423800 -1.4582E+01 -9.3384E+00 1.9358E+01 O6 5026 15.999400 -0.847600 1.3097E+01 -1.6256E+01 -1.5369E+01 H1 5027 1.008000 0.423800 1.2434E+01 -1.6324E+01 -1.6114E+01 H2 5028 1.008000 0.423800 1.3072E+01 -1.5333E+01 -1.4984E+01 O6 5029 15.999400 -0.847600 -4.1136E+00 -9.6239E+00 9.4699E+00 H1 5030 1.008000 0.423800 -4.0311E+00 -1.0004E+01 8.5487E+00 H2 5031 1.008000 0.423800 -3.8846E+00 -1.0327E+01 1.0143E+01 O6 5032 15.999400 -0.847600 1.8267E+01 9.7936E+00 5.9135E+00 H1 5033 1.008000 0.423800 1.8545E+01 8.8776E+00 5.6243E+00 H2 5034 1.008000 0.423800 1.8919E+01 1.0466E+01 5.5630E+00 O6 5035 15.999400 -0.847600 5.6274E+00 -1.0717E+01 -2.0511E-01 H1 5036 1.008000 0.423800 5.1447E+00 -1.1518E+01 -5.5968E-01 H2 5037 1.008000 0.423800 6.5451E+00 -1.0679E+01 -6.0032E-01 O6 5038 15.999400 -0.847600 7.7950E+00 -1.7105E+01 3.1650E+00 H1 5039 1.008000 0.423800 8.6347E+00 -1.6563E+01 3.1419E+00 H2 5040 1.008000 0.423800 7.9158E+00 -1.7880E+01 3.7855E+00 O6 5041 15.999400 -0.847600 2.7618E+00 3.6850E+00 -7.6647E+00 H1 5042 1.008000 0.423800 1.8839E+00 4.1128E+00 -7.8800E+00 H2 5043 1.008000 0.423800 3.4506E+00 3.9883E+00 -8.3232E+00 O6 5044 15.999400 -0.847600 3.3815E+00 7.9718E+00 1.2130E+01 H1 5045 1.008000 0.423800 3.9920E+00 8.6877E+00 1.2469E+01 H2 5046 1.008000 0.423800 2.6747E+00 8.3819E+00 1.1553E+01 O6 5047 15.999400 -0.847600 1.9037E+01 -7.4783E+00 -1.2694E+01 H1 5048 1.008000 0.423800 1.8504E+01 -8.3184E+00 -1.2796E+01 H2 5049 1.008000 0.423800 -1.9336E+01 -7.6228E+00 -1.2021E+01 O6 5050 15.999400 -0.847600 -9.2190E+00 2.9515E+00 1.3960E+01 H1 5051 1.008000 0.423800 -8.7488E+00 3.7565E+00 1.4322E+01 H2 5052 1.008000 0.423800 -9.4204E+00 3.0911E+00 1.2991E+01 O6 5053 15.999400 -0.847600 -1.5535E+01 -1.4661E+01 1.4196E+00 H1 5054 1.008000 0.423800 -1.6404E+01 -1.4168E+01 1.4045E+00 H2 5055 1.008000 0.423800 -1.5372E+01 -1.5076E+01 5.2470E-01 O6 5056 15.999400 -0.847600 -1.7962E+01 4.0849E+00 -8.3708E-01 H1 5057 1.008000 0.423800 -1.7497E+01 4.9686E+00 -7.8127E-01 H2 5058 1.008000 0.423800 -1.7307E+01 3.3805E+00 -1.1106E+00 O6 5059 15.999400 -0.847600 2.4444E+00 1.1384E+01 -7.6410E+00 H1 5060 1.008000 0.423800 2.7068E+00 1.0996E+01 -8.5244E+00 H2 5061 1.008000 0.423800 1.4544E+00 1.1306E+01 -7.5235E+00 O6 5062 15.999400 -0.847600 7.4637E+00 1.5378E+01 9.6150E+00 H1 5063 1.008000 0.423800 8.0519E+00 1.4751E+01 1.0126E+01 H2 5064 1.008000 0.423800 7.4937E+00 1.5145E+01 8.6429E+00 O6 5065 15.999400 -0.847600 1.3867E+01 1.3313E+01 1.0835E+00 H1 5066 1.008000 0.423800 1.4550E+01 1.2988E+01 1.7371E+00 H2 5067 1.008000 0.423800 1.3067E+01 1.3654E+01 1.5786E+00 O6 5068 15.999400 -0.847600 -1.6809E+01 1.2561E+01 1.0666E+00 H1 5069 1.008000 0.423800 -1.5967E+01 1.2860E+01 1.5161E+00 H2 5070 1.008000 0.423800 -1.6944E+01 1.3088E+01 2.2729E-01 O6 5071 15.999400 -0.847600 -1.0344E+01 1.1168E+01 9.5885E+00 H1 5072 1.008000 0.423800 -1.1303E+01 1.1410E+01 9.7326E+00 H2 5073 1.008000 0.423800 -9.7660E+00 1.1726E+01 1.0184E+01 O6 5074 15.999400 -0.847600 1.1698E+01 -9.5245E+00 -1.8697E+01 H1 5075 1.008000 0.423800 1.1543E+01 -9.6751E+00 1.9424E+01 H2 5076 1.008000 0.423800 1.2556E+01 -9.9591E+00 -1.8425E+01 O6 5077 15.999400 -0.847600 7.9463E+00 -1.5864E+01 1.3655E+01 H1 5078 1.008000 0.423800 7.2334E+00 -1.6522E+01 1.3412E+01 H2 5079 1.008000 0.423800 8.7369E+00 -1.5993E+01 1.3057E+01 O6 5080 15.999400 -0.847600 -7.7049E+00 -7.1248E+00 9.0316E+00 H1 5081 1.008000 0.423800 -8.0041E+00 -7.8578E+00 8.4207E+00 H2 5082 1.008000 0.423800 -8.1396E+00 -6.2662E+00 8.7598E+00 O6 5083 15.999400 -0.847600 -9.8622E+00 -3.6438E+00 -1.9388E+01 H1 5084 1.008000 0.423800 -1.0202E+01 -4.0966E+00 1.8885E+01 H2 5085 1.008000 0.423800 -1.0578E+01 -3.0565E+00 -1.9011E+01 O6 5086 15.999400 -0.847600 -1.5274E+01 -1.1678E+01 -7.5927E+00 H1 5087 1.008000 0.423800 -1.6143E+01 -1.1553E+01 -7.1147E+00 H2 5088 1.008000 0.423800 -1.4854E+01 -1.2538E+01 -7.3018E+00 O6 5089 15.999400 -0.847600 -1.8618E+01 -4.7812E+00 1.6409E+01 H1 5090 1.008000 0.423800 -1.7663E+01 -5.0781E+00 1.6390E+01 H2 5091 1.008000 0.423800 -1.8968E+01 -4.8403E+00 1.7344E+01 O6 5092 15.999400 -0.847600 -1.5810E+01 -1.0809E+01 8.8948E+00 H1 5093 1.008000 0.423800 -1.5694E+01 -1.0881E+01 7.9042E+00 H2 5094 1.008000 0.423800 -1.5202E+01 -1.0100E+01 9.2513E+00 O6 5095 15.999400 -0.847600 -2.1841E+00 -3.9381E+00 -1.9224E+01 H1 5096 1.008000 0.423800 -2.9618E+00 -3.5683E+00 1.9365E+01 H2 5097 1.008000 0.423800 -2.4913E+00 -4.2495E+00 -1.8325E+01 O6 5098 15.999400 -0.847600 5.4999E+00 1.8480E+01 -7.2927E-01 H1 5099 1.008000 0.423800 6.0255E+00 1.8752E+01 7.7057E-02 H2 5100 1.008000 0.423800 5.4064E+00 1.7485E+01 -7.4662E-01 O6 5101 15.999400 -0.847600 1.0378E+01 -1.0845E+01 -1.6559E+01 H1 5102 1.008000 0.423800 1.0138E+01 -1.0021E+01 -1.6045E+01 H2 5103 1.008000 0.423800 1.0658E+01 -1.0590E+01 -1.7485E+01 O6 5104 15.999400 -0.847600 1.2134E+01 -1.8057E+01 -1.3316E+01 H1 5105 1.008000 0.423800 1.2815E+01 -1.8476E+01 -1.2715E+01 H2 5106 1.008000 0.423800 1.2588E+01 -1.7425E+01 -1.3944E+01 O6 5107 15.999400 -0.847600 2.3269E+00 5.9654E+00 -1.2069E+01 H1 5108 1.008000 0.423800 2.6283E+00 5.0188E+00 -1.1955E+01 H2 5109 1.008000 0.423800 2.6655E+00 6.5172E+00 -1.1307E+01 O6 5110 15.999400 -0.847600 -1.9651E+00 1.4903E+01 -5.0505E+00 H1 5111 1.008000 0.423800 -1.0583E+00 1.5318E+01 -5.1234E+00 H2 5112 1.008000 0.423800 -2.2971E+00 1.4990E+01 -4.1113E+00 O6 5113 15.999400 -0.847600 1.1962E+01 1.7025E+01 -1.8092E+01 H1 5114 1.008000 0.423800 1.2886E+01 1.7028E+01 -1.8475E+01 H2 5115 1.008000 0.423800 1.1992E+01 1.7353E+01 -1.7147E+01 O6 5116 15.999400 -0.847600 4.2114E-01 7.7287E+00 6.1415E+00 H1 5117 1.008000 0.423800 3.4708E-01 7.4780E+00 7.1068E+00 H2 5118 1.008000 0.423800 1.0947E+00 8.4605E+00 6.0379E+00 O6 5119 15.999400 -0.847600 1.4617E+01 -5.7374E+00 -6.9743E+00 H1 5120 1.008000 0.423800 1.5336E+01 -5.7506E+00 -6.2793E+00 H2 5121 1.008000 0.423800 1.3875E+01 -5.1371E+00 -6.6752E+00 O6 5122 15.999400 -0.847600 -4.7749E+00 1.8002E+01 -5.1698E+00 H1 5123 1.008000 0.423800 -4.8954E+00 1.7604E+01 -4.2601E+00 H2 5124 1.008000 0.423800 -4.4170E+00 1.7306E+01 -5.7927E+00 O6 5125 15.999400 -0.847600 1.1577E+00 -1.0682E+01 6.4745E+00 H1 5126 1.008000 0.423800 1.3203E+00 -1.0810E+01 5.4962E+00 H2 5127 1.008000 0.423800 5.3698E-01 -1.1393E+01 6.8053E+00 O6 5128 15.999400 -0.847600 -1.3253E+00 -1.5153E+00 -7.9276E+00 H1 5129 1.008000 0.423800 -1.8188E+00 -1.1833E+00 -8.7315E+00 H2 5130 1.008000 0.423800 -1.8989E+00 -2.1655E+00 -7.4294E+00 O6 5131 15.999400 -0.847600 -3.7631E+00 -4.2928E+00 1.7451E+01 H1 5132 1.008000 0.423800 -3.3726E+00 -5.1107E+00 1.7873E+01 H2 5133 1.008000 0.423800 -4.6739E+00 -4.1252E+00 1.7828E+01 O6 5134 15.999400 -0.847600 1.3563E+01 -1.8438E+01 1.3218E+01 H1 5135 1.008000 0.423800 1.4275E+01 -1.7741E+01 1.3128E+01 H2 5136 1.008000 0.423800 1.3987E+01 -1.9339E+01 1.3309E+01 O6 5137 15.999400 -0.847600 5.1034E+00 1.5717E+01 -1.0686E+00 H1 5138 1.008000 0.423800 5.7716E+00 1.5177E+01 -1.5809E+00 H2 5139 1.008000 0.423800 4.2898E+00 1.5862E+01 -1.6316E+00 O6 5140 15.999400 -0.847600 1.0391E+01 -1.0575E+01 -3.7550E+00 H1 5141 1.008000 0.423800 1.1021E+01 -1.1321E+01 -3.5390E+00 H2 5142 1.008000 0.423800 1.0913E+01 -9.7698E+00 -4.0368E+00 O6 5143 15.999400 -0.847600 2.3849E+00 -1.4705E+01 -1.3256E+00 H1 5144 1.008000 0.423800 1.8930E+00 -1.5357E+01 -7.4889E-01 H2 5145 1.008000 0.423800 1.8838E+00 -1.4572E+01 -2.1807E+00 O6 5146 15.999400 -0.847600 -1.0035E+01 1.2866E+01 -4.6676E+00 H1 5147 1.008000 0.423800 -9.6198E+00 1.3244E+01 -5.4951E+00 H2 5148 1.008000 0.423800 -1.1011E+01 1.3079E+01 -4.6569E+00 O6 5149 15.999400 -0.847600 6.7253E+00 1.2808E+01 -1.3726E+01 H1 5150 1.008000 0.423800 7.3421E+00 1.3552E+01 -1.3984E+01 H2 5151 1.008000 0.423800 6.5304E+00 1.2244E+01 -1.4529E+01 O6 5152 15.999400 -0.847600 -1.5510E+01 9.8676E+00 6.0006E-01 H1 5153 1.008000 0.423800 -1.6281E+01 1.0463E+01 3.7636E-01 H2 5154 1.008000 0.423800 -1.4767E+01 1.0415E+01 9.8710E-01 O6 5155 15.999400 -0.847600 -1.4132E+01 -1.8642E+01 -7.0786E+00 H1 5156 1.008000 0.423800 -1.3556E+01 -1.9296E+01 -6.5871E+00 H2 5157 1.008000 0.423800 -1.4779E+01 -1.9139E+01 -7.6571E+00 O6 5158 15.999400 -0.847600 -1.7138E+01 7.8218E-02 1.8304E+01 H1 5159 1.008000 0.423800 -1.6960E+01 -8.3049E-01 1.8681E+01 H2 5160 1.008000 0.423800 -1.8082E+01 3.4157E-01 1.8503E+01 O6 5161 15.999400 -0.847600 3.6274E+00 1.0066E+01 -1.8352E+01 H1 5162 1.008000 0.423800 4.0548E+00 1.0820E+01 -1.8851E+01 H2 5163 1.008000 0.423800 2.8710E+00 1.0418E+01 -1.7801E+01 O6 5164 15.999400 -0.847600 -4.4239E+00 -1.7691E+01 1.3379E+01 H1 5165 1.008000 0.423800 -4.3081E+00 -1.8366E+01 1.4108E+01 H2 5166 1.008000 0.423800 -3.5274E+00 -1.7430E+01 1.3022E+01 O6 5167 15.999400 -0.847600 1.7563E+00 -6.0003E+00 1.9902E+00 H1 5168 1.008000 0.423800 2.5354E+00 -5.8464E+00 1.3823E+00 H2 5169 1.008000 0.423800 1.3663E+00 -6.9033E+00 1.8099E+00 O6 5170 15.999400 -0.847600 -1.1602E+01 -1.8825E+01 1.3775E+01 H1 5171 1.008000 0.423800 -1.1016E+01 -1.8204E+01 1.3254E+01 H2 5172 1.008000 0.423800 -1.2478E+01 -1.8931E+01 1.3303E+01 O6 5173 15.999400 -0.847600 -4.9449E+00 -1.7582E+01 -1.2639E+01 H1 5174 1.008000 0.423800 -5.1740E+00 -1.8527E+01 -1.2873E+01 H2 5175 1.008000 0.423800 -5.6756E+00 -1.7190E+01 -1.2079E+01 O6 5176 15.999400 -0.847600 5.1668E+00 1.6883E+01 -1.6048E+01 H1 5177 1.008000 0.423800 5.1520E+00 1.7114E+01 -1.5075E+01 H2 5178 1.008000 0.423800 4.4538E+00 1.7398E+01 -1.6523E+01 O6 5179 15.999400 -0.847600 1.0008E+01 9.2121E+00 2.9267E+00 H1 5180 1.008000 0.423800 9.6886E+00 8.7197E+00 2.1170E+00 H2 5181 1.008000 0.423800 1.0607E+01 9.9615E+00 2.6462E+00 O6 5182 15.999400 -0.847600 1.0456E+01 2.4772E+00 8.0292E+00 H1 5183 1.008000 0.423800 9.5225E+00 2.8158E+00 8.1453E+00 H2 5184 1.008000 0.423800 1.0538E+01 1.5733E+00 8.4492E+00 O6 5185 15.999400 -0.847600 -1.5962E+01 -6.5554E+00 -9.0455E+00 H1 5186 1.008000 0.423800 -1.5476E+01 -5.6812E+00 -9.0333E+00 H2 5187 1.008000 0.423800 -1.5404E+01 -7.2395E+00 -9.5163E+00 O6 5188 15.999400 -0.847600 1.7826E+01 -3.2240E+00 -3.0988E-01 H1 5189 1.008000 0.423800 1.8783E+01 -3.1496E+00 -5.8829E-01 H2 5190 1.008000 0.423800 1.7746E+01 -3.8849E+00 4.3635E-01 O6 5191 15.999400 -0.847600 8.2717E+00 -1.6683E+00 2.2478E+00 H1 5192 1.008000 0.423800 7.6803E+00 -1.1266E+00 2.8453E+00 H2 5193 1.008000 0.423800 8.2003E+00 -2.6345E+00 2.4955E+00 O6 5194 15.999400 -0.847600 1.2597E+01 1.2198E+01 8.7700E+00 H1 5195 1.008000 0.423800 1.2462E+01 1.3188E+01 8.7248E+00 H2 5196 1.008000 0.423800 1.3413E+01 1.1948E+01 8.2496E+00 O6 5197 15.999400 -0.847600 -6.7667E+00 8.5258E+00 -1.7938E+01 H1 5198 1.008000 0.423800 -7.7544E+00 8.3721E+00 -1.7967E+01 H2 5199 1.008000 0.423800 -6.5848E+00 9.4796E+00 -1.7699E+01 O6 5200 15.999400 -0.847600 1.7896E+01 -1.5573E+01 6.4962E+00 H1 5201 1.008000 0.423800 1.7683E+01 -1.6518E+01 6.2507E+00 H2 5202 1.008000 0.423800 1.8083E+01 -1.5047E+01 5.6663E+00 O6 5203 15.999400 -0.847600 7.8213E+00 1.5472E+01 1.5939E+01 H1 5204 1.008000 0.423800 8.4132E+00 1.5312E+01 1.6729E+01 H2 5205 1.008000 0.423800 7.8023E+00 1.4653E+01 1.5366E+01 O6 5206 15.999400 -0.847600 7.6571E+00 -1.0121E+01 1.3050E+01 H1 5207 1.008000 0.423800 8.6253E+00 -1.0371E+01 1.3072E+01 H2 5208 1.008000 0.423800 7.3471E+00 -1.0071E+01 1.2101E+01 O6 5209 15.999400 -0.847600 1.3852E+01 -1.8195E+01 -1.0690E+00 H1 5210 1.008000 0.423800 1.3807E+01 -1.7248E+01 -7.4851E-01 H2 5211 1.008000 0.423800 1.3686E+01 -1.8221E+01 -2.0547E+00 O6 5212 15.999400 -0.847600 -1.1003E+01 1.0765E+01 -1.9252E+01 H1 5213 1.008000 0.423800 -1.0094E+01 1.0935E+01 -1.8872E+01 H2 5214 1.008000 0.423800 -1.1001E+01 9.8935E+00 1.9355E+01 O6 5215 15.999400 -0.847600 1.7228E+01 -9.9526E+00 1.1585E+01 H1 5216 1.008000 0.423800 1.7084E+01 -9.2061E+00 1.0936E+01 H2 5217 1.008000 0.423800 1.6343E+01 -1.0285E+01 1.1913E+01 O6 5218 15.999400 -0.847600 -5.9927E+00 -1.9037E+00 1.4667E+01 H1 5219 1.008000 0.423800 -6.3994E+00 -1.1622E+00 1.4134E+01 H2 5220 1.008000 0.423800 -5.1354E+00 -1.5894E+00 1.5075E+01 O6 5221 15.999400 -0.847600 -7.1572E+00 8.6335E+00 -5.5532E-01 H1 5222 1.008000 0.423800 -8.0134E+00 9.1469E+00 -4.9824E-01 H2 5223 1.008000 0.423800 -7.0685E+00 8.0431E+00 2.4693E-01 O6 5224 15.999400 -0.847600 -8.8117E+00 -2.1484E+00 -1.0711E+01 H1 5225 1.008000 0.423800 -8.4461E+00 -2.1362E+00 -9.7802E+00 H2 5226 1.008000 0.423800 -9.2643E+00 -3.0240E+00 -1.0880E+01 O6 5227 15.999400 -0.847600 -1.5601E+01 -1.8441E+01 -1.0763E+01 H1 5228 1.008000 0.423800 -1.5918E+01 -1.9095E+01 -1.0076E+01 H2 5229 1.008000 0.423800 -1.5159E+01 -1.8933E+01 -1.1513E+01 O6 5230 15.999400 -0.847600 8.7033E+00 -9.2276E+00 -1.2767E+01 H1 5231 1.008000 0.423800 9.5643E+00 -9.4160E+00 -1.2294E+01 H2 5232 1.008000 0.423800 8.0021E+00 -9.8655E+00 -1.2449E+01 O6 5233 15.999400 -0.847600 -7.2476E+00 -3.1345E+00 1.6600E+01 H1 5234 1.008000 0.423800 -7.3038E+00 -4.1194E+00 1.6437E+01 H2 5235 1.008000 0.423800 -6.8292E+00 -2.6887E+00 1.5809E+01 O6 5236 15.999400 -0.847600 2.8731E+00 8.4618E+00 -6.1558E+00 H1 5237 1.008000 0.423800 3.7263E+00 8.9403E+00 -6.3635E+00 H2 5238 1.008000 0.423800 2.2499E+00 9.0827E+00 -5.6804E+00 O6 5239 15.999400 -0.847600 -1.1850E-02 -4.1444E+00 1.1229E+01 H1 5240 1.008000 0.423800 -1.1209E-01 -4.9958E+00 1.0715E+01 H2 5241 1.008000 0.423800 -8.2646E-01 -3.5789E+00 1.1100E+01 O6 5242 15.999400 -0.847600 4.8469E+00 -5.8390E+00 1.4593E+01 H1 5243 1.008000 0.423800 4.5449E+00 -6.3137E+00 1.5420E+01 H2 5244 1.008000 0.423800 5.7065E+00 -5.3625E+00 1.4778E+01 O6 5245 15.999400 -0.847600 1.6470E+01 -1.9209E+01 -2.2922E+00 H1 5246 1.008000 0.423800 1.6350E+01 1.9026E+01 -1.8004E+00 H2 5247 1.008000 0.423800 1.5618E+01 -1.8971E+01 -2.7597E+00 O6 5248 15.999400 -0.847600 -1.5907E+01 1.6695E+01 -5.3783E-01 H1 5249 1.008000 0.423800 -1.5574E+01 1.6473E+01 3.7840E-01 H2 5250 1.008000 0.423800 -1.6104E+01 1.5850E+01 -1.0353E+00 O6 5251 15.999400 -0.847600 1.4428E+01 -2.8983E-01 4.7041E+00 H1 5252 1.008000 0.423800 1.3709E+01 -9.7915E-01 4.7955E+00 H2 5253 1.008000 0.423800 1.4159E+01 5.3933E-01 5.1940E+00 O6 5254 15.999400 -0.847600 4.4711E+00 1.7312E+01 5.8214E+00 H1 5255 1.008000 0.423800 4.5618E+00 1.7703E+01 6.7376E+00 H2 5256 1.008000 0.423800 4.8574E+00 1.7945E+01 5.1500E+00 O6 5257 15.999400 -0.847600 1.5340E+01 1.0610E+01 -1.6854E+01 H1 5258 1.008000 0.423800 1.6237E+01 1.0766E+01 -1.6440E+01 H2 5259 1.008000 0.423800 1.5308E+01 1.1045E+01 -1.7754E+01 O6 5260 15.999400 -0.847600 6.1798E+00 -2.2903E+00 1.0953E+01 H1 5261 1.008000 0.423800 5.2315E+00 -1.9732E+00 1.0962E+01 H2 5262 1.008000 0.423800 6.2198E+00 -3.2314E+00 1.1289E+01 O6 5263 15.999400 -0.847600 1.8964E+00 1.3578E+01 -4.1279E+00 H1 5264 1.008000 0.423800 2.4558E+00 1.3224E+01 -4.8777E+00 H2 5265 1.008000 0.423800 1.2686E+00 1.4272E+01 -4.4792E+00 O6 5266 15.999400 -0.847600 1.4798E+01 -8.1714E+00 -1.5437E+01 H1 5267 1.008000 0.423800 1.3842E+01 -8.3881E+00 -1.5237E+01 H2 5268 1.008000 0.423800 1.5330E+01 -9.0170E+00 -1.5476E+01 O6 5269 15.999400 -0.847600 6.8941E+00 1.7942E+01 9.4441E+00 H1 5270 1.008000 0.423800 7.0729E+00 1.6960E+01 9.5060E+00 H2 5271 1.008000 0.423800 7.5670E+00 1.8366E+01 8.8378E+00 O6 5272 15.999400 -0.847600 3.6372E+00 -9.6275E+00 1.3020E+01 H1 5273 1.008000 0.423800 4.1532E+00 -1.0475E+01 1.2895E+01 H2 5274 1.008000 0.423800 4.1769E+00 -8.8557E+00 1.2684E+01 O6 5275 15.999400 -0.847600 -1.1174E+01 1.7734E+01 -1.4865E+01 H1 5276 1.008000 0.423800 -1.2006E+01 1.8125E+01 -1.5260E+01 H2 5277 1.008000 0.423800 -1.0506E+01 1.8462E+01 -1.4711E+01 O6 5278 15.999400 -0.847600 -9.5795E+00 1.1094E+00 1.8262E+01 H1 5279 1.008000 0.423800 -9.5323E+00 1.6541E-01 1.7935E+01 H2 5280 1.008000 0.423800 -9.2294E+00 1.1560E+00 1.9197E+01 O6 5281 15.999400 -0.847600 1.3309E+01 1.1846E+01 -1.5428E+01 H1 5282 1.008000 0.423800 1.3674E+01 1.2702E+01 -1.5061E+01 H2 5283 1.008000 0.423800 1.4038E+01 1.1349E+01 -1.5899E+01 O6 5284 15.999400 -0.847600 -1.3238E+01 3.6865E+00 1.0442E+01 H1 5285 1.008000 0.423800 -1.3907E+01 3.5022E+00 1.1162E+01 H2 5286 1.008000 0.423800 -1.2322E+01 3.7312E+00 1.0841E+01 O6 5287 15.999400 -0.847600 6.9975E+00 -6.9361E+00 -1.2714E+01 H1 5288 1.008000 0.423800 6.4176E+00 -6.9024E+00 -1.1900E+01 H2 5289 1.008000 0.423800 7.5057E+00 -7.7973E+00 -1.2726E+01 O6 5290 15.999400 -0.847600 5.7998E+00 -5.1710E+00 1.8395E+01 H1 5291 1.008000 0.423800 5.7862E+00 -5.3910E+00 1.9370E+01 H2 5292 1.008000 0.423800 6.4054E+00 -4.3909E+00 1.8238E+01 O6 5293 15.999400 -0.847600 1.0776E+01 1.8747E+01 3.0372E+00 H1 5294 1.008000 0.423800 1.0101E+01 1.8630E+01 2.3082E+00 H2 5295 1.008000 0.423800 1.1512E+01 1.9343E+01 2.7169E+00 O6 5296 15.999400 -0.847600 1.2464E-01 -1.0632E+00 1.8695E+01 H1 5297 1.008000 0.423800 7.8463E-01 -1.8063E+00 1.8806E+01 H2 5298 1.008000 0.423800 3.0707E-01 -3.5140E-01 1.9373E+01 O6 5299 15.999400 -0.847600 -9.3407E+00 6.0711E+00 -1.4955E+01 H1 5300 1.008000 0.423800 -1.0268E+01 6.3796E+00 -1.5166E+01 H2 5301 1.008000 0.423800 -8.9054E+00 6.7241E+00 -1.4335E+01 O6 5302 15.999400 -0.847600 4.5995E-01 5.4420E+00 4.4507E+00 H1 5303 1.008000 0.423800 5.4768E-01 6.2802E+00 4.9890E+00 H2 5304 1.008000 0.423800 1.0016E+00 4.7158E+00 4.8741E+00 O6 5305 15.999400 -0.847600 -1.0318E+01 1.5846E+01 -6.2499E+00 H1 5306 1.008000 0.423800 -9.7206E+00 1.5079E+01 -6.4848E+00 H2 5307 1.008000 0.423800 -1.0467E+01 1.6413E+01 -7.0602E+00 O6 5308 15.999400 -0.847600 -7.3941E+00 -1.8838E+01 -9.0311E+00 H1 5309 1.008000 0.423800 -6.6383E+00 -1.8189E+01 -8.9395E+00 H2 5310 1.008000 0.423800 -7.2073E+00 1.9450E+01 -8.4753E+00 O6 5311 15.999400 -0.847600 -8.0458E+00 -2.0008E+00 -1.8239E+01 H1 5312 1.008000 0.423800 -7.1267E+00 -2.3223E+00 -1.8467E+01 H2 5313 1.008000 0.423800 -8.7191E+00 -2.6769E+00 -1.8538E+01 O6 5314 15.999400 -0.847600 5.6329E+00 -1.7001E+01 1.2578E+01 H1 5315 1.008000 0.423800 5.9953E+00 -1.7674E+01 1.1934E+01 H2 5316 1.008000 0.423800 5.1869E+00 -1.7474E+01 1.3338E+01 O6 5317 15.999400 -0.847600 -1.5122E+01 8.6846E+00 -2.2537E+00 H1 5318 1.008000 0.423800 -1.4975E+01 9.3467E+00 -1.5189E+00 H2 5319 1.008000 0.423800 -1.4862E+01 9.0936E+00 -3.1281E+00 O6 5320 15.999400 -0.847600 -1.1724E+01 -1.3388E+01 -3.1643E+00 H1 5321 1.008000 0.423800 -1.2706E+01 -1.3200E+01 -3.1504E+00 H2 5322 1.008000 0.423800 -1.1384E+01 -1.3454E+01 -2.2262E+00 O6 5323 15.999400 -0.847600 7.9215E+00 -7.1665E+00 2.5308E+00 H1 5324 1.008000 0.423800 7.6759E+00 -8.1299E+00 2.4231E+00 H2 5325 1.008000 0.423800 8.2248E+00 -6.7996E+00 1.6514E+00 O6 5326 15.999400 -0.847600 1.8271E+01 -1.3538E+01 -5.9041E+00 H1 5327 1.008000 0.423800 1.9217E+01 -1.3513E+01 -5.5799E+00 H2 5328 1.008000 0.423800 1.8050E+01 -1.2672E+01 -6.3528E+00 O6 5329 15.999400 -0.847600 1.0840E+01 -9.4589E+00 1.7826E+01 H1 5330 1.008000 0.423800 1.0084E+01 -8.8143E+00 1.7940E+01 H2 5331 1.008000 0.423800 1.0474E+01 -1.0378E+01 1.7676E+01 O6 5332 15.999400 -0.847600 -6.2074E-01 1.0822E+01 1.4342E+01 H1 5333 1.008000 0.423800 -1.4547E+00 1.1315E+01 1.4093E+01 H2 5334 1.008000 0.423800 -8.2695E-01 1.0161E+01 1.5063E+01 O6 5335 15.999400 -0.847600 -1.5866E+01 3.6646E+00 6.5979E+00 H1 5336 1.008000 0.423800 -1.5443E+01 3.9554E+00 7.4557E+00 H2 5337 1.008000 0.423800 -1.5185E+01 3.2040E+00 6.0289E+00 O6 5338 15.999400 -0.847600 -1.5447E+01 4.4638E+00 -3.1192E+00 H1 5339 1.008000 0.423800 -1.5746E+01 3.6019E+00 -2.7095E+00 H2 5340 1.008000 0.423800 -1.4796E+01 4.9150E+00 -2.5088E+00 O6 5341 15.999400 -0.847600 -1.1048E+01 -1.7475E+01 -1.8053E+01 H1 5342 1.008000 0.423800 -1.0458E+01 -1.6700E+01 -1.8279E+01 H2 5343 1.008000 0.423800 -1.0508E+01 -1.8316E+01 -1.8052E+01 O6 5344 15.999400 -0.847600 -1.7888E+01 -2.4702E+00 -1.1283E+01 H1 5345 1.008000 0.423800 -1.8114E+01 -2.5609E+00 -1.2253E+01 H2 5346 1.008000 0.423800 -1.6895E+01 -2.4105E+00 -1.1176E+01 O6 5347 15.999400 -0.847600 1.5424E+01 7.7386E+00 1.5657E+01 H1 5348 1.008000 0.423800 1.4677E+01 7.1079E+00 1.5866E+01 H2 5349 1.008000 0.423800 1.5604E+01 7.7293E+00 1.4674E+01 O6 5350 15.999400 -0.847600 1.3175E+01 -1.4927E+01 -1.3255E-01 H1 5351 1.008000 0.423800 1.3829E+01 -1.4351E+01 -6.2279E-01 H2 5352 1.008000 0.423800 1.3172E+01 -1.4678E+01 8.3595E-01 O6 5353 15.999400 -0.847600 -1.9091E+01 -7.6804E+00 9.1332E+00 H1 5354 1.008000 0.423800 -1.8181E+01 -7.5834E+00 9.5374E+00 H2 5355 1.008000 0.423800 -1.9414E+01 -6.7866E+00 8.8228E+00 O6 5356 15.999400 -0.847600 1.7504E+01 1.7472E+01 8.9019E+00 H1 5357 1.008000 0.423800 1.8155E+01 1.6781E+01 8.5887E+00 H2 5358 1.008000 0.423800 1.6572E+01 1.7140E+01 8.7613E+00 O6 5359 15.999400 -0.847600 3.6128E+00 1.6785E+01 1.2222E+01 H1 5360 1.008000 0.423800 3.3819E+00 1.7618E+01 1.1720E+01 H2 5361 1.008000 0.423800 4.2652E+00 1.6245E+01 1.1691E+01 O6 5362 15.999400 -0.847600 1.9399E+01 1.1775E+01 1.1594E+01 H1 5363 1.008000 0.423800 1.8565E+01 1.1255E+01 1.1781E+01 H2 5364 1.008000 0.423800 -1.9165E+01 1.1307E+01 1.0890E+01 O6 5365 15.999400 -0.847600 -1.8097E+01 -2.6118E+00 4.2681E+00 H1 5366 1.008000 0.423800 -1.8638E+01 -1.9923E+00 3.7000E+00 H2 5367 1.008000 0.423800 -1.8184E+01 -2.3458E+00 5.2281E+00 O6 5368 15.999400 -0.847600 1.4761E+01 -1.7035E+01 -6.4951E+00 H1 5369 1.008000 0.423800 1.4420E+01 -1.7200E+01 -7.4206E+00 H2 5370 1.008000 0.423800 1.4305E+01 -1.6233E+01 -6.1103E+00 O6 5371 15.999400 -0.847600 -4.0144E+00 3.9541E+00 -6.3201E+00 H1 5372 1.008000 0.423800 -3.3461E+00 4.5403E+00 -5.8622E+00 H2 5373 1.008000 0.423800 -4.8972E+00 4.4222E+00 -6.3587E+00 O6 5374 15.999400 -0.847600 1.0491E+01 -6.9381E+00 -1.8936E+01 H1 5375 1.008000 0.423800 9.7191E+00 -7.1291E+00 -1.9543E+01 H2 5376 1.008000 0.423800 1.1044E+01 -7.7642E+00 -1.8830E+01 O6 5377 15.999400 -0.847600 1.4146E+01 1.6830E+01 1.5797E+01 H1 5378 1.008000 0.423800 1.3295E+01 1.6368E+01 1.5547E+01 H2 5379 1.008000 0.423800 1.3978E+01 1.7445E+01 1.6568E+01 O6 5380 15.999400 -0.847600 8.1895E+00 9.5614E+00 -1.7695E+01 H1 5381 1.008000 0.423800 8.4270E+00 1.0529E+01 -1.7611E+01 H2 5382 1.008000 0.423800 7.4660E+00 9.4536E+00 -1.8377E+01 O6 5383 15.999400 -0.847600 6.6706E+00 1.0041E+01 -6.4435E+00 H1 5384 1.008000 0.423800 6.5204E+00 9.2480E+00 -5.8532E+00 H2 5385 1.008000 0.423800 6.8561E+00 9.7320E+00 -7.3762E+00 O6 5386 15.999400 -0.847600 -1.1339E+01 3.7386E-02 -1.7038E+01 H1 5387 1.008000 0.423800 -1.0647E+01 -6.3434E-01 -1.6774E+01 H2 5388 1.008000 0.423800 -1.1816E+01 3.6310E-01 -1.6221E+01 O6 5389 15.999400 -0.847600 -9.7428E+00 -1.8101E+01 1.5876E+01 H1 5390 1.008000 0.423800 -1.0435E+01 -1.8209E+01 1.5162E+01 H2 5391 1.008000 0.423800 -1.0041E+01 -1.7402E+01 1.6526E+01 O6 5392 15.999400 -0.847600 -1.4298E+01 3.9699E-01 -8.5105E+00 H1 5393 1.008000 0.423800 -1.5200E+01 8.4422E-03 -8.3201E+00 H2 5394 1.008000 0.423800 -1.3904E+01 -5.3581E-02 -9.3113E+00 O6 5395 15.999400 -0.847600 -4.7358E+00 1.3898E+01 3.2807E+00 H1 5396 1.008000 0.423800 -3.9045E+00 1.4055E+01 2.7474E+00 H2 5397 1.008000 0.423800 -5.4779E+00 1.3625E+01 2.6685E+00 O6 5398 15.999400 -0.847600 8.9954E+00 -1.5314E+01 -1.7518E+01 H1 5399 1.008000 0.423800 7.9990E+00 -1.5389E+01 -1.7558E+01 H2 5400 1.008000 0.423800 9.3133E+00 -1.4705E+01 -1.8245E+01 O6 5401 15.999400 -0.847600 7.0911E+00 6.1183E+00 -1.2090E+01 H1 5402 1.008000 0.423800 7.7664E+00 6.0924E+00 -1.2827E+01 H2 5403 1.008000 0.423800 7.3928E+00 5.5288E+00 -1.1341E+01 O6 5404 15.999400 -0.847600 -3.9373E+00 9.6805E+00 1.0984E+01 H1 5405 1.008000 0.423800 -3.4863E+00 1.0368E+01 1.0414E+01 H2 5406 1.008000 0.423800 -4.1251E+00 8.8649E+00 1.0436E+01 O6 5407 15.999400 -0.847600 -3.2588E-01 -8.0181E+00 1.1418E+01 H1 5408 1.008000 0.423800 2.2151E-01 -7.9782E+00 1.2254E+01 H2 5409 1.008000 0.423800 -1.2178E+00 -8.4212E+00 1.1622E+01 O6 5410 15.999400 -0.847600 1.7985E+01 3.6979E+00 -1.0876E+01 H1 5411 1.008000 0.423800 1.7969E+01 3.7394E+00 -1.1875E+01 H2 5412 1.008000 0.423800 1.7059E+01 3.5425E+00 -1.0534E+01 O6 5413 15.999400 -0.847600 6.9019E+00 1.6448E+01 1.3836E+00 H1 5414 1.008000 0.423800 6.3936E+00 1.5812E+01 8.0295E-01 H2 5415 1.008000 0.423800 6.5965E+00 1.6351E+01 2.3309E+00 O6 5416 15.999400 -0.847600 -5.7517E+00 1.0123E+01 -7.2022E+00 H1 5417 1.008000 0.423800 -5.3954E+00 9.7189E+00 -6.3596E+00 H2 5418 1.008000 0.423800 -6.4643E+00 9.5315E+00 -7.5799E+00 O6 5419 15.999400 -0.847600 1.3943E+01 1.4152E+01 -1.3536E+01 H1 5420 1.008000 0.423800 1.4187E+01 1.3440E+01 -1.2877E+01 H2 5421 1.008000 0.423800 1.4587E+01 1.4913E+01 -1.3459E+01 O6 5422 15.999400 -0.847600 6.3970E+00 9.2383E+00 -1.5549E+01 H1 5423 1.008000 0.423800 6.0156E+00 1.0143E+01 -1.5738E+01 H2 5424 1.008000 0.423800 7.1542E+00 9.0582E+00 -1.6177E+01 O6 5425 15.999400 -0.847600 -1.1890E+01 -1.5649E+01 7.7010E+00 H1 5426 1.008000 0.423800 -1.2289E+01 -1.6149E+01 6.9326E+00 H2 5427 1.008000 0.423800 -1.2088E+01 -1.6133E+01 8.5531E+00 O6 5428 15.999400 -0.847600 1.7227E+01 -1.5043E+01 -8.0479E+00 H1 5429 1.008000 0.423800 1.7454E+01 -1.6006E+01 -7.9009E+00 H2 5430 1.008000 0.423800 1.7773E+01 -1.4474E+01 -7.4337E+00 O6 5431 15.999400 -0.847600 1.4856E+01 1.9162E+01 -6.9175E+00 H1 5432 1.008000 0.423800 1.5743E+01 1.8718E+01 -7.0422E+00 H2 5433 1.008000 0.423800 1.4859E+01 -1.9049E+01 -7.3793E+00 O6 5434 15.999400 -0.847600 -1.2495E+01 1.2863E+01 1.8941E+01 H1 5435 1.008000 0.423800 -1.3469E+01 1.2635E+01 1.8931E+01 H2 5436 1.008000 0.423800 -1.1971E+01 1.2071E+01 1.9254E+01 O6 5437 15.999400 -0.847600 1.4625E+00 5.0182E-01 1.6818E+01 H1 5438 1.008000 0.423800 2.3569E+00 3.5865E-01 1.7242E+01 H2 5439 1.008000 0.423800 7.4743E-01 1.4934E-01 1.7421E+01 O6 5440 15.999400 -0.847600 1.8063E+01 9.5912E+00 1.5287E+01 H1 5441 1.008000 0.423800 1.8000E+01 1.0578E+01 1.5138E+01 H2 5442 1.008000 0.423800 1.7546E+01 9.1133E+00 1.4577E+01 O6 5443 15.999400 -0.847600 -6.9646E+00 1.7202E+01 1.9472E+01 H1 5444 1.008000 0.423800 -7.0967E+00 1.8129E+01 1.9121E+01 H2 5445 1.008000 0.423800 -7.8028E+00 1.6893E+01 -1.9176E+01 O6 5446 15.999400 -0.847600 2.6691E+00 -3.3229E+00 -1.7580E+01 H1 5447 1.008000 0.423800 2.5110E+00 -2.4600E+00 -1.7100E+01 H2 5448 1.008000 0.423800 3.3848E+00 -3.8394E+00 -1.7110E+01 O6 5449 15.999400 -0.847600 8.7902E+00 1.4882E+00 -1.8191E+01 H1 5450 1.008000 0.423800 8.1134E+00 1.7840E+00 -1.7516E+01 H2 5451 1.008000 0.423800 8.5609E+00 1.8737E+00 -1.9084E+01 O6 5452 15.999400 -0.847600 -1.7524E+01 9.9861E+00 8.7318E+00 H1 5453 1.008000 0.423800 -1.7123E+01 9.2334E+00 8.2091E+00 H2 5454 1.008000 0.423800 -1.7247E+01 9.9104E+00 9.6899E+00 O6 5455 15.999400 -0.847600 6.2656E+00 1.0243E+01 1.0324E+01 H1 5456 1.008000 0.423800 7.2255E+00 9.9889E+00 1.0204E+01 H2 5457 1.008000 0.423800 6.1170E+00 1.1164E+01 9.9639E+00 O6 5458 15.999400 -0.847600 -1.3715E+01 -1.8367E+01 1.2061E+01 H1 5459 1.008000 0.423800 -1.3629E+01 -1.8432E+01 1.1067E+01 H2 5460 1.008000 0.423800 -1.4472E+01 -1.8943E+01 1.2369E+01 O6 5461 15.999400 -0.847600 -9.0519E+00 -5.1746E+00 -5.4897E+00 H1 5462 1.008000 0.423800 -9.8406E+00 -5.6257E+00 -5.9074E+00 H2 5463 1.008000 0.423800 -9.3063E+00 -4.2482E+00 -5.2120E+00 O6 5464 15.999400 -0.847600 -8.6420E+00 -3.6342E+00 -2.4423E+00 H1 5465 1.008000 0.423800 -8.5119E+00 -4.4589E+00 -1.8919E+00 H2 5466 1.008000 0.423800 -7.7830E+00 -3.3978E+00 -2.8965E+00 O6 5467 15.999400 -0.847600 -8.3477E+00 -4.2623E+00 9.3415E+00 H1 5468 1.008000 0.423800 -8.8706E+00 -4.5639E+00 1.0139E+01 H2 5469 1.008000 0.423800 -7.3718E+00 -4.2728E+00 9.5596E+00 O6 5470 15.999400 -0.847600 -1.4462E+01 -7.8629E-01 8.3239E+00 H1 5471 1.008000 0.423800 -1.5420E+01 -1.0521E+00 8.4307E+00 H2 5472 1.008000 0.423800 -1.4078E+01 -1.2386E+00 7.5188E+00 O6 5473 15.999400 -0.847600 -1.0202E+01 -1.4951E+01 3.5030E+00 H1 5474 1.008000 0.423800 -1.0790E+01 -1.5007E+01 4.3102E+00 H2 5475 1.008000 0.423800 -1.0650E+01 -1.5404E+01 2.7322E+00 O6 5476 15.999400 -0.847600 -1.0337E+01 -1.5608E+00 -1.4958E+01 H1 5477 1.008000 0.423800 -1.0714E+01 -9.8098E-01 -1.4236E+01 H2 5478 1.008000 0.423800 -1.0981E+01 -2.2976E+00 -1.5164E+01 O6 5479 15.999400 -0.847600 -4.6241E+00 3.1044E+00 -1.2112E+01 H1 5480 1.008000 0.423800 -5.2212E+00 2.8660E+00 -1.2878E+01 H2 5481 1.008000 0.423800 -5.1806E+00 3.3945E+00 -1.1334E+01 O6 5482 15.999400 -0.847600 6.7654E+00 5.9739E+00 -7.7193E+00 H1 5483 1.008000 0.423800 7.5579E+00 6.4516E+00 -7.3402E+00 H2 5484 1.008000 0.423800 6.0474E+00 5.9169E+00 -7.0257E+00 O6 5485 15.999400 -0.847600 -1.6422E+01 5.6609E+00 1.0289E+01 H1 5486 1.008000 0.423800 -1.5839E+01 5.5030E+00 9.4915E+00 H2 5487 1.008000 0.423800 -1.7337E+01 5.2996E+00 1.0109E+01 O6 5488 15.999400 -0.847600 8.9945E+00 1.2785E+01 5.5114E+00 H1 5489 1.008000 0.423800 9.9039E+00 1.3163E+01 5.6865E+00 H2 5490 1.008000 0.423800 8.9201E+00 1.2529E+01 4.5476E+00 O6 5491 15.999400 -0.847600 2.4000E-01 -1.2499E+01 2.1541E+00 H1 5492 1.008000 0.423800 8.9233E-01 -1.3241E+01 2.0015E+00 H2 5493 1.008000 0.423800 2.4631E-01 -1.1883E+01 1.3666E+00 O6 5494 15.999400 -0.847600 3.7942E+00 -1.1232E+01 -1.9067E+01 H1 5495 1.008000 0.423800 3.9407E+00 -1.0254E+01 -1.9216E+01 H2 5496 1.008000 0.423800 3.0865E+00 -1.1562E+01 1.9405E+01 O6 5497 15.999400 -0.847600 -1.1894E+00 -2.3446E+00 -4.0256E+00 H1 5498 1.008000 0.423800 -6.5329E-01 -3.1716E+00 -4.1951E+00 H2 5499 1.008000 0.423800 -8.4573E-01 -1.8868E+00 -3.2057E+00 O6 5500 15.999400 -0.847600 8.8230E+00 1.6449E+01 4.8871E+00 H1 5501 1.008000 0.423800 9.7531E+00 1.6270E+01 4.5660E+00 H2 5502 1.008000 0.423800 8.6200E+00 1.7424E+01 4.7952E+00 O6 5503 15.999400 -0.847600 -3.7513E+00 1.5936E+01 1.6167E+01 H1 5504 1.008000 0.423800 -4.7261E+00 1.6006E+01 1.5955E+01 H2 5505 1.008000 0.423800 -3.5238E+00 1.6570E+01 1.6905E+01 O6 5506 15.999400 -0.847600 9.5897E+00 -1.6993E+01 1.5550E+01 H1 5507 1.008000 0.423800 9.1364E+00 -1.6393E+01 1.4891E+01 H2 5508 1.008000 0.423800 8.9027E+00 -1.7430E+01 1.6131E+01 O6 5509 15.999400 -0.847600 1.3597E+01 1.7378E+01 -2.0526E+00 H1 5510 1.008000 0.423800 1.4536E+01 1.7451E+01 -1.7175E+00 H2 5511 1.008000 0.423800 1.3589E+01 1.7477E+01 -3.0476E+00 O6 5512 15.999400 -0.847600 -1.0382E+01 -1.1597E+01 -8.6032E+00 H1 5513 1.008000 0.423800 -9.9145E+00 -1.1895E+01 -7.7707E+00 H2 5514 1.008000 0.423800 -1.1274E+01 -1.1213E+01 -8.3653E+00 O6 5515 15.999400 -0.847600 2.3528E+00 -3.0738E-01 -2.9414E+00 H1 5516 1.008000 0.423800 3.2172E+00 -1.6669E-01 -2.4584E+00 H2 5517 1.008000 0.423800 2.0221E+00 5.6779E-01 -3.2944E+00 O6 5518 15.999400 -0.847600 7.0829E+00 -1.8406E+01 -8.5461E+00 H1 5519 1.008000 0.423800 6.3592E+00 -1.8151E+01 -7.9050E+00 H2 5520 1.008000 0.423800 7.2132E+00 -1.7672E+01 -9.2116E+00 O6 5521 15.999400 -0.847600 9.3729E+00 1.3752E+01 1.1036E+01 H1 5522 1.008000 0.423800 9.4057E+00 1.3002E+01 1.0375E+01 H2 5523 1.008000 0.423800 9.8467E+00 1.3479E+01 1.1873E+01 O6 5524 15.999400 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-4.6328E+00 8.1084E+00 -5.7431E+00 H2 5541 1.008000 0.423800 -3.6199E+00 6.8422E+00 -5.9361E+00 O6 5542 15.999400 -0.847600 -1.9346E+01 -3.6813E+00 -1.7187E+01 H1 5543 1.008000 0.423800 -1.9540E+01 -4.4545E+00 -1.7791E+01 H2 5544 1.008000 0.423800 -1.8367E+01 -3.4775E+00 -1.7211E+01 O6 5545 15.999400 -0.847600 -1.2373E+01 8.9122E+00 8.6406E+00 H1 5546 1.008000 0.423800 -1.3041E+01 9.0167E+00 9.3777E+00 H2 5547 1.008000 0.423800 -1.1950E+01 9.7970E+00 8.4469E+00 O6 5548 15.999400 -0.847600 1.2960E+01 -1.3598E+01 -1.5588E+01 H1 5549 1.008000 0.423800 1.2724E+01 -1.3673E+01 -1.6556E+01 H2 5550 1.008000 0.423800 1.3046E+01 -1.2633E+01 -1.5339E+01 O6 5551 15.999400 -0.847600 5.7661E+00 1.1823E+01 -1.6138E+01 H1 5552 1.008000 0.423800 5.3184E+00 1.2710E+01 -1.6244E+01 H2 5553 1.008000 0.423800 6.5114E+00 1.1744E+01 -1.6800E+01 O6 5554 15.999400 -0.847600 6.5248E+00 6.3939E+00 -2.8303E+00 H1 5555 1.008000 0.423800 6.0391E+00 6.9906E+00 -2.1915E+00 H2 5556 1.008000 0.423800 7.2721E+00 5.9322E+00 -2.3524E+00 O6 5557 15.999400 -0.847600 -1.1296E+01 1.8780E+01 -2.7387E+00 H1 5558 1.008000 0.423800 -1.0846E+01 -1.9427E+01 -2.8089E+00 H2 5559 1.008000 0.423800 -1.0953E+01 1.8296E+01 -1.9335E+00 O6 5560 15.999400 -0.847600 2.4978E+00 1.4379E+01 -7.0653E+00 H1 5561 1.008000 0.423800 3.4448E+00 1.4659E+01 -7.2230E+00 H2 5562 1.008000 0.423800 2.4393E+00 1.3381E+01 -7.0747E+00 O6 5563 15.999400 -0.847600 -7.5844E+00 1.8064E+01 -2.2136E+00 H1 5564 1.008000 0.423800 -7.7761E+00 1.9036E+01 -2.0777E+00 H2 5565 1.008000 0.423800 -7.8581E+00 1.7553E+01 -1.3987E+00 O6 5566 15.999400 -0.847600 5.1645E+00 -9.3192E+00 -1.5500E+01 H1 5567 1.008000 0.423800 5.1166E+00 -9.4558E+00 -1.4510E+01 H2 5568 1.008000 0.423800 4.6098E+00 -1.0013E+01 -1.5959E+01 O6 5569 15.999400 -0.847600 1.0134E+01 -6.9656E-01 4.3852E+00 H1 5570 1.008000 0.423800 9.5608E+00 -9.2455E-02 4.9391E+00 H2 5571 1.008000 0.423800 9.7631E+00 -7.4972E-01 3.4580E+00 O6 5572 15.999400 -0.847600 3.9183E+00 -1.3457E+01 -5.4210E+00 H1 5573 1.008000 0.423800 3.2371E+00 -1.4139E+01 -5.1560E+00 H2 5574 1.008000 0.423800 3.5414E+00 -1.2871E+01 -6.1384E+00 O6 5575 15.999400 -0.847600 -1.7141E+01 1.7174E+01 1.4184E+01 H1 5576 1.008000 0.423800 -1.7434E+01 1.6471E+01 1.3536E+01 H2 5577 1.008000 0.423800 -1.7925E+01 1.7472E+01 1.4729E+01 O6 5578 15.999400 -0.847600 1.7971E+01 -1.6717E+01 -2.1885E+00 H1 5579 1.008000 0.423800 1.7829E+01 -1.6220E+01 -1.3325E+00 H2 5580 1.008000 0.423800 1.7574E+01 -1.7632E+01 -2.1125E+00 O6 5581 15.999400 -0.847600 7.0056E+00 -2.0878E-01 4.1246E+00 H1 5582 1.008000 0.423800 7.5920E+00 1.2321E-01 4.8634E+00 H2 5583 1.008000 0.423800 6.2442E+00 4.2597E-01 3.9926E+00 O6 5584 15.999400 -0.847600 -1.8477E+01 -4.2277E+00 -3.7932E+00 H1 5585 1.008000 0.423800 -1.8062E+01 -4.3410E+00 -4.6961E+00 H2 5586 1.008000 0.423800 -1.7944E+01 -3.5690E+00 -3.2620E+00 O6 5587 15.999400 -0.847600 -6.8088E-01 3.9240E+00 -6.5924E+00 H1 5588 1.008000 0.423800 -4.7922E-01 4.1116E+00 -7.5538E+00 H2 5589 1.008000 0.423800 -1.0289E+00 2.9910E+00 -6.5009E+00 O6 5590 15.999400 -0.847600 4.5105E+00 -1.4332E+01 -9.0048E+00 H1 5591 1.008000 0.423800 5.2928E+00 -1.3818E+01 -9.3574E+00 H2 5592 1.008000 0.423800 3.9401E+00 -1.3729E+01 -8.4469E+00 O6 5593 15.999400 -0.847600 -9.7641E+00 1.3573E+01 1.8671E+00 H1 5594 1.008000 0.423800 -9.4118E+00 1.2638E+01 1.9134E+00 H2 5595 1.008000 0.423800 -1.0617E+01 1.3582E+01 1.3444E+00 O6 5596 15.999400 -0.847600 -1.1799E+01 -1.6219E+01 1.4664E+00 H1 5597 1.008000 0.423800 -1.2411E+01 -1.5558E+01 1.9017E+00 H2 5598 1.008000 0.423800 -1.2294E+01 -1.7072E+01 1.3018E+00 O6 5599 15.999400 -0.847600 1.5971E+01 -6.9206E+00 8.7584E+00 H1 5600 1.008000 0.423800 1.5460E+01 -6.4797E+00 8.0200E+00 H2 5601 1.008000 0.423800 1.5344E+01 -7.1617E+00 9.4992E+00 O6 5602 15.999400 -0.847600 -8.9729E-02 1.6337E+01 1.8183E+01 H1 5603 1.008000 0.423800 6.5910E-01 1.6971E+01 1.8376E+01 H2 5604 1.008000 0.423800 -9.5247E-01 1.6735E+01 1.8494E+01 O6 5605 15.999400 -0.847600 6.0759E+00 -6.1964E+00 -1.8216E+01 H1 5606 1.008000 0.423800 6.8424E+00 -6.5545E+00 -1.7683E+01 H2 5607 1.008000 0.423800 5.6100E+00 -5.4832E+00 -1.7692E+01 O6 5608 15.999400 -0.847600 -1.0741E+01 4.0850E+00 7.3171E+00 H1 5609 1.008000 0.423800 -1.0526E+01 4.8604E+00 7.9112E+00 H2 5610 1.008000 0.423800 -1.0499E+01 3.2329E+00 7.7811E+00 O6 5611 15.999400 -0.847600 -3.6623E-01 1.0772E+01 -1.9518E+01 H1 5612 1.008000 0.423800 2.0439E-01 1.0584E+01 1.8780E+01 H2 5613 1.008000 0.423800 6.0127E-03 1.1555E+01 -1.9019E+01 O6 5614 15.999400 -0.847600 -1.7518E+01 5.7561E-01 1.5985E+00 H1 5615 1.008000 0.423800 -1.7433E+01 5.1806E-01 6.0379E-01 H2 5616 1.008000 0.423800 -1.8242E+01 -4.0568E-02 1.9075E+00 O6 5617 15.999400 -0.847600 -5.2085E-02 1.4386E+00 -9.8940E+00 H1 5618 1.008000 0.423800 7.3537E-01 1.0374E+00 -9.4261E+00 H2 5619 1.008000 0.423800 -2.7604E-01 2.3185E+00 -9.4749E+00 O6 5620 15.999400 -0.847600 1.4389E+01 -5.5662E+00 1.9300E+01 H1 5621 1.008000 0.423800 1.4760E+01 -5.9438E+00 1.8451E+01 H2 5622 1.008000 0.423800 1.3461E+01 -5.9114E+00 1.9441E+01 O6 5623 15.999400 -0.847600 1.0866E+00 1.1817E+01 -2.2299E+00 H1 5624 1.008000 0.423800 1.2367E+00 1.2169E+01 -1.3061E+00 H2 5625 1.008000 0.423800 1.2202E+00 1.2553E+01 -2.8931E+00 O6 5626 15.999400 -0.847600 1.2199E+01 1.7602E+01 -1.3016E+01 H1 5627 1.008000 0.423800 1.1829E+01 1.6714E+01 -1.3291E+01 H2 5628 1.008000 0.423800 1.2554E+01 1.7540E+01 -1.2084E+01 O6 5629 15.999400 -0.847600 7.1012E-01 -1.1922E+01 -1.4692E+01 H1 5630 1.008000 0.423800 -7.5229E-02 -1.2523E+01 -1.4543E+01 H2 5631 1.008000 0.423800 1.0202E+00 -1.2008E+01 -1.5639E+01 O6 5632 15.999400 -0.847600 6.1208E-01 8.1960E+00 -1.6718E+01 H1 5633 1.008000 0.423800 1.2133E+00 7.7210E+00 -1.6076E+01 H2 5634 1.008000 0.423800 8.2365E-01 9.1733E+00 -1.6712E+01 O6 5635 15.999400 -0.847600 8.2777E+00 1.4669E+01 -1.4501E+01 H1 5636 1.008000 0.423800 9.1704E+00 1.4946E+01 -1.4145E+01 H2 5637 1.008000 0.423800 8.2934E+00 1.4697E+01 -1.5500E+01 O6 5638 15.999400 -0.847600 -3.9867E+00 -5.5372E+00 -1.3169E+01 H1 5639 1.008000 0.423800 -4.1797E+00 -4.5722E+00 -1.3346E+01 H2 5640 1.008000 0.423800 -4.7055E+00 -5.9195E+00 -1.2588E+01 O6 5641 15.999400 -0.847600 5.3004E+00 1.3637E+01 2.8383E+00 H1 5642 1.008000 0.423800 5.4288E+00 1.4556E+01 3.2119E+00 H2 5643 1.008000 0.423800 6.1891E+00 1.3250E+01 2.5930E+00 O6 5644 15.999400 -0.847600 1.5042E+01 1.6884E+01 1.0399E+01 H1 5645 1.008000 0.423800 1.4180E+01 1.7323E+01 1.0653E+01 H2 5646 1.008000 0.423800 1.5761E+01 1.7172E+01 1.1032E+01 O6 5647 15.999400 -0.847600 6.0077E+00 -1.8568E+01 1.9460E+01 H1 5648 1.008000 0.423800 6.0468E+00 -1.8753E+01 -1.8656E+01 H2 5649 1.008000 0.423800 5.4115E+00 -1.9238E+01 1.9018E+01 O6 5650 15.999400 -0.847600 -6.6637E+00 -8.7962E+00 1.0968E+01 H1 5651 1.008000 0.423800 -7.1153E+00 -8.2060E+00 1.0298E+01 H2 5652 1.008000 0.423800 -6.0148E+00 -9.3956E+00 1.0499E+01 O6 5653 15.999400 -0.847600 -1.0832E+01 7.2904E+00 -8.2331E+00 H1 5654 1.008000 0.423800 -1.1205E+01 8.0848E+00 -8.7122E+00 H2 5655 1.008000 0.423800 -1.1486E+01 6.5357E+00 -8.2787E+00 O6 5656 15.999400 -0.847600 1.9190E+01 -9.9066E+00 4.7303E+00 H1 5657 1.008000 0.423800 -1.9367E+01 -9.5841E+00 5.5071E+00 H2 5658 1.008000 0.423800 1.8573E+01 -1.0633E+01 5.0325E+00 O6 5659 15.999400 -0.847600 -1.8030E+01 1.4236E+01 1.7072E+01 H1 5660 1.008000 0.423800 -1.8645E+01 1.4662E+01 1.7736E+01 H2 5661 1.008000 0.423800 -1.7740E+01 1.3341E+01 1.7413E+01 O6 5662 15.999400 -0.847600 5.1880E+00 -1.2370E+01 5.7485E+00 H1 5663 1.008000 0.423800 5.3002E+00 -1.1397E+01 5.9484E+00 H2 5664 1.008000 0.423800 5.3233E+00 -1.2527E+01 4.7702E+00 O6 5665 15.999400 -0.847600 6.9674E+00 9.6826E-01 1.3273E+01 H1 5666 1.008000 0.423800 7.5670E+00 1.5276E+00 1.3845E+01 H2 5667 1.008000 0.423800 6.2218E+00 1.5332E+00 1.2920E+01 O6 5668 15.999400 -0.847600 -1.9480E+01 1.4361E+00 1.7994E+01 H1 5669 1.008000 0.423800 -1.9397E+01 2.2438E+00 1.8578E+01 H2 5670 1.008000 0.423800 1.8703E+01 1.0441E+00 1.8096E+01 O6 5671 15.999400 -0.847600 9.3736E-01 2.3961E+00 1.4813E+01 H1 5672 1.008000 0.423800 1.6508E+00 2.2125E+00 1.4136E+01 H2 5673 1.008000 0.423800 1.0160E+00 1.7430E+00 1.5566E+01 O6 5674 15.999400 -0.847600 7.9587E-01 1.4625E+01 5.4630E+00 H1 5675 1.008000 0.423800 -1.0677E-01 1.4506E+01 5.0492E+00 H2 5676 1.008000 0.423800 9.5910E-01 1.3891E+01 6.1226E+00 O6 5677 15.999400 -0.847600 -1.4040E+01 -4.8316E+00 1.3164E+01 H1 5678 1.008000 0.423800 -1.3559E+01 -5.1938E+00 1.2366E+01 H2 5679 1.008000 0.423800 -1.3518E+01 -4.0729E+00 1.3552E+01 O6 5680 15.999400 -0.847600 -1.0446E+01 -1.3253E+01 5.8252E+00 H1 5681 1.008000 0.423800 -1.1238E+01 -1.3468E+01 6.3962E+00 H2 5682 1.008000 0.423800 -1.0732E+01 -1.2675E+01 5.0616E+00 O6 5683 15.999400 -0.847600 4.9497E+00 1.3894E+01 6.8157E+00 H1 5684 1.008000 0.423800 4.9642E+00 1.3147E+01 6.1515E+00 H2 5685 1.008000 0.423800 5.6879E+00 1.4537E+01 6.6104E+00 O6 5686 15.999400 -0.847600 3.2156E-01 -5.1119E+00 -1.5788E+01 H1 5687 1.008000 0.423800 3.9674E-01 -6.0490E+00 -1.5447E+01 H2 5688 1.008000 0.423800 3.3084E-01 -5.1192E+00 -1.6788E+01 O6 5689 15.999400 -0.847600 -2.8933E+00 1.5623E+01 5.4869E+00 H1 5690 1.008000 0.423800 -2.4665E+00 1.4854E+01 5.0109E+00 H2 5691 1.008000 0.423800 -3.5999E+00 1.5281E+01 6.1062E+00 O6 5692 15.999400 -0.847600 1.1780E+01 -1.4308E+01 -8.2735E+00 H1 5693 1.008000 0.423800 1.1258E+01 -1.4078E+01 -7.4523E+00 H2 5694 1.008000 0.423800 1.2541E+01 -1.3668E+01 -8.3750E+00 O6 5695 15.999400 -0.847600 -5.8288E+00 -1.4354E+01 -2.1190E+00 H1 5696 1.008000 0.423800 -5.8520E+00 -1.4480E+01 -1.1273E+00 H2 5697 1.008000 0.423800 -6.6069E+00 -1.3793E+01 -2.4019E+00 O6 5698 15.999400 -0.847600 1.9485E+01 1.3541E+01 -1.8140E+01 H1 5699 1.008000 0.423800 1.8769E+01 1.4101E+01 -1.7723E+01 H2 5700 1.008000 0.423800 -1.9105E+01 1.3062E+01 -1.7423E+01 O6 5701 15.999400 -0.847600 -1.0303E+01 1.4659E+01 1.0993E+01 H1 5702 1.008000 0.423800 -9.7914E+00 1.3804E+01 1.0907E+01 H2 5703 1.008000 0.423800 -1.1059E+01 1.4532E+01 1.1634E+01 O6 5704 15.999400 -0.847600 -5.4851E+00 7.9062E+00 -1.1857E+01 H1 5705 1.008000 0.423800 -4.7535E+00 7.3189E+00 -1.2203E+01 H2 5706 1.008000 0.423800 -6.2740E+00 7.8518E+00 -1.2469E+01 O6 5707 15.999400 -0.847600 -6.2473E+00 1.0992E+00 1.6536E+01 H1 5708 1.008000 0.423800 -5.5076E+00 4.3051E-01 1.6460E+01 H2 5709 1.008000 0.423800 -6.2882E+00 1.4460E+00 1.7473E+01 O6 5710 15.999400 -0.847600 7.2018E+00 4.5773E-01 8.6096E-01 H1 5711 1.008000 0.423800 7.8587E+00 1.0324E+00 3.7286E-01 H2 5712 1.008000 0.423800 7.6890E+00 -2.7310E-01 1.3390E+00 O6 5713 15.999400 -0.847600 9.1728E+00 1.8979E+01 -1.5642E+00 H1 5714 1.008000 0.423800 1.0172E+01 1.8954E+01 -1.5876E+00 H2 5715 1.008000 0.423800 8.8105E+00 1.8641E+01 -2.4325E+00 O6 5716 15.999400 -0.847600 7.4870E+00 -1.7444E+01 6.5836E+00 H1 5717 1.008000 0.423800 6.5977E+00 -1.7025E+01 6.4016E+00 H2 5718 1.008000 0.423800 7.4571E+00 -1.7921E+01 7.4622E+00 O6 5719 15.999400 -0.847600 1.4958E+01 1.2033E+01 -1.9227E+01 H1 5720 1.008000 0.423800 1.4255E+01 1.2599E+01 1.9441E+01 H2 5721 1.008000 0.423800 1.5469E+01 1.1542E+01 1.9165E+01 O6 5722 15.999400 -0.847600 9.2236E+00 8.0986E+00 5.1721E-01 H1 5723 1.008000 0.423800 9.6707E+00 7.7209E+00 -2.9366E-01 H2 5724 1.008000 0.423800 8.7665E+00 8.9550E+00 2.7727E-01 O6 5725 15.999400 -0.847600 -5.6367E+00 -1.7589E+01 2.1653E+00 H1 5726 1.008000 0.423800 -6.1588E+00 -1.8322E+01 1.7291E+00 H2 5727 1.008000 0.423800 -5.9376E+00 -1.7484E+01 3.1131E+00 O6 5728 15.999400 -0.847600 1.3684E+01 -4.8904E+00 -1.4796E+01 H1 5729 1.008000 0.423800 1.3963E+01 -4.8948E+00 -1.3836E+01 H2 5730 1.008000 0.423800 1.3185E+01 -5.7322E+00 -1.5002E+01 O6 5731 15.999400 -0.847600 1.7450E+01 -1.0600E+01 -6.8530E+00 H1 5732 1.008000 0.423800 1.6531E+01 -1.0206E+01 -6.8147E+00 H2 5733 1.008000 0.423800 1.8122E+01 -9.8661E+00 -6.9504E+00 O6 5734 15.999400 -0.847600 1.0369E+01 -1.4166E+01 -1.9491E+01 H1 5735 1.008000 0.423800 1.1271E+01 -1.3787E+01 -1.9288E+01 H2 5736 1.008000 0.423800 1.0459E+01 -1.4896E+01 1.8928E+01 O6 5737 15.999400 -0.847600 1.4732E+01 1.2015E+01 -1.1728E+01 H1 5738 1.008000 0.423800 1.4840E+01 1.2008E+01 -1.0734E+01 H2 5739 1.008000 0.423800 1.4320E+01 1.1153E+01 -1.2025E+01 O6 5740 15.999400 -0.847600 2.3047E+00 1.8829E+00 -5.8336E+00 H1 5741 1.008000 0.423800 2.5034E+00 2.4634E+00 -6.6232E+00 H2 5742 1.008000 0.423800 2.9788E+00 2.0551E+00 -5.1153E+00 O6 5743 15.999400 -0.847600 -1.4500E+01 8.3173E+00 1.5615E+01 H1 5744 1.008000 0.423800 -1.4279E+01 7.3463E+00 1.5524E+01 H2 5745 1.008000 0.423800 -1.5462E+01 8.4178E+00 1.5870E+01 O6 5746 15.999400 -0.847600 1.6079E+01 -2.0389E+00 -1.4861E+01 H1 5747 1.008000 0.423800 1.5826E+01 -1.8687E+00 -1.3908E+01 H2 5748 1.008000 0.423800 1.5304E+01 -1.8242E+00 -1.5455E+01 O6 5749 15.999400 -0.847600 9.0984E+00 1.8080E+01 1.1252E+00 H1 5750 1.008000 0.423800 8.4180E+00 1.7348E+01 1.1345E+00 H2 5751 1.008000 0.423800 9.2633E+00 1.8370E+01 1.8242E-01 O6 5752 15.999400 -0.847600 1.6732E+01 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H2 5769 1.008000 0.423800 -3.2496E+00 8.8138E+00 2.0539E+00 O6 5770 15.999400 -0.847600 -1.8735E+01 -7.6588E+00 1.3720E+01 H1 5771 1.008000 0.423800 -1.9236E+01 -6.9848E+00 1.4263E+01 H2 5772 1.008000 0.423800 -1.9077E+01 -8.5751E+00 1.3928E+01 O6 5773 15.999400 -0.847600 -1.5428E+01 1.2517E+01 -5.0573E+00 H1 5774 1.008000 0.423800 -1.5826E+01 1.2518E+01 -4.1397E+00 H2 5775 1.008000 0.423800 -1.5938E+01 1.1885E+01 -5.6410E+00 O6 5776 15.999400 -0.847600 -8.4116E+00 -6.1681E+00 -9.5106E+00 H1 5777 1.008000 0.423800 -7.8240E+00 -5.4913E+00 -9.0670E+00 H2 5778 1.008000 0.423800 -7.9306E+00 -7.0432E+00 -9.5638E+00 O6 5779 15.999400 -0.847600 1.4228E+01 8.0990E+00 -6.6843E+00 H1 5780 1.008000 0.423800 1.4451E+01 8.0083E+00 -5.7137E+00 H2 5781 1.008000 0.423800 1.4195E+01 9.0678E+00 -6.9295E+00 O6 5782 15.999400 -0.847600 1.5885E+01 -4.6871E-01 1.6103E+01 H1 5783 1.008000 0.423800 1.6806E+01 -3.1707E-01 1.5742E+01 H2 5784 1.008000 0.423800 1.5938E+01 -1.0394E+00 1.6922E+01 O6 5785 15.999400 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-3.5353E+00 -1.8399E+01 H2 5802 1.008000 0.423800 -1.4021E+01 -4.6083E+00 -1.8447E+01 O6 5803 15.999400 -0.847600 1.8282E+01 6.1695E+00 8.9766E+00 H1 5804 1.008000 0.423800 1.8371E+01 7.1441E+00 8.7715E+00 H2 5805 1.008000 0.423800 1.7550E+01 5.7773E+00 8.4195E+00 O6 5806 15.999400 -0.847600 5.6628E+00 -1.5469E+01 2.8799E+00 H1 5807 1.008000 0.423800 6.4533E+00 -1.6059E+01 3.0435E+00 H2 5808 1.008000 0.423800 5.1295E+00 -1.5830E+01 2.1151E+00 O6 5809 15.999400 -0.847600 5.5197E-01 -2.7355E+00 -1.0200E+01 H1 5810 1.008000 0.423800 -4.3866E-01 -2.6494E+00 -1.0094E+01 H2 5811 1.008000 0.423800 1.0091E+00 -2.3073E+00 -9.4205E+00 O6 5812 15.999400 -0.847600 -1.4119E+00 -1.2799E+01 -1.0752E+01 H1 5813 1.008000 0.423800 -7.1769E-01 -1.2810E+01 -1.0033E+01 H2 5814 1.008000 0.423800 -1.9087E+00 -1.1932E+01 -1.0723E+01 O6 5815 15.999400 -0.847600 3.9552E+00 5.2070E+00 -1.6408E+01 H1 5816 1.008000 0.423800 3.6131E+00 6.1414E+00 -1.6507E+01 H2 5817 1.008000 0.423800 3.2602E+00 4.6433E+00 -1.5962E+01 O6 5818 15.999400 -0.847600 1.0661E+01 1.6199E+01 1.0518E+01 H1 5819 1.008000 0.423800 1.0001E+01 1.6949E+01 1.0476E+01 H2 5820 1.008000 0.423800 1.0174E+01 1.5331E+01 1.0610E+01 O6 5821 15.999400 -0.847600 1.0179E+01 1.6383E+01 -4.6976E+00 H1 5822 1.008000 0.423800 9.8712E+00 1.5910E+01 -5.5227E+00 H2 5823 1.008000 0.423800 1.1143E+01 1.6175E+01 -4.5339E+00 O6 5824 15.999400 -0.847600 1.7310E+01 1.6555E+01 1.7251E+01 H1 5825 1.008000 0.423800 1.6474E+01 1.6052E+01 1.7476E+01 H2 5826 1.008000 0.423800 1.7086E+01 1.7320E+01 1.6648E+01 O6 5827 15.999400 -0.847600 1.0117E+01 4.5286E+00 -1.2731E+01 H1 5828 1.008000 0.423800 9.7389E+00 5.2187E+00 -1.3348E+01 H2 5829 1.008000 0.423800 9.4988E+00 4.3997E+00 -1.1955E+01 O6 5830 15.999400 -0.847600 9.0683E+00 -4.0879E+00 5.3019E-01 H1 5831 1.008000 0.423800 9.3615E+00 -3.9067E+00 1.4689E+00 H2 5832 1.008000 0.423800 9.5974E+00 -3.5195E+00 -9.9834E-02 O6 5833 15.999400 -0.847600 9.4038E+00 1.0954E+01 -3.8200E+00 H1 5834 1.008000 0.423800 9.5504E+00 1.0868E+01 -4.8055E+00 H2 5835 1.008000 0.423800 8.8707E+00 1.0174E+01 -3.4930E+00 O6 5836 15.999400 -0.847600 5.2651E+00 -1.6503E+01 -1.5557E+01 H1 5837 1.008000 0.423800 5.3508E+00 -1.5715E+01 -1.6167E+01 H2 5838 1.008000 0.423800 5.2134E+00 -1.6187E+01 -1.4610E+01 O6 5839 15.999400 -0.847600 1.4458E+01 -9.7602E+00 1.8985E+01 H1 5840 1.008000 0.423800 1.5450E+01 -9.7501E+00 1.9105E+01 H2 5841 1.008000 0.423800 1.4056E+01 -1.0447E+01 -1.9507E+01 O6 5842 15.999400 -0.847600 -7.5128E+00 8.4845E+00 -8.1058E+00 H1 5843 1.008000 0.423800 -7.3094E+00 7.5151E+00 -8.2438E+00 H2 5844 1.008000 0.423800 -8.4812E+00 8.6514E+00 -8.2911E+00 O6 5845 15.999400 -0.847600 -2.9521E+00 1.8994E+01 -1.5427E+01 H1 5846 1.008000 0.423800 -3.9087E+00 1.9118E+01 -1.5691E+01 H2 5847 1.008000 0.423800 -2.4443E+00 -1.9261E+01 -1.5609E+01 O6 5848 15.999400 -0.847600 -3.7224E+00 -7.1703E+00 1.4211E+01 H1 5849 1.008000 0.423800 -3.6833E+00 -6.1750E+00 1.4300E+01 H2 5850 1.008000 0.423800 -3.3247E+00 -7.5935E+00 1.5025E+01 O6 5851 15.999400 -0.847600 1.9300E+01 1.8763E+01 1.4396E+01 H1 5852 1.008000 0.423800 1.8360E+01 1.8438E+01 1.4289E+01 H2 5853 1.008000 0.423800 1.9512E+01 1.8855E+01 1.5369E+01 O6 5854 15.999400 -0.847600 1.3288E+01 7.4455E-01 1.6835E+01 H1 5855 1.008000 0.423800 1.4252E+01 6.1496E-01 1.6603E+01 H2 5856 1.008000 0.423800 1.2874E+01 -1.4110E-01 1.7045E+01 O6 5857 15.999400 -0.847600 1.5947E+00 -1.8940E+01 -7.4322E+00 H1 5858 1.008000 0.423800 2.3218E+00 -1.8492E+01 -6.9113E+00 H2 5859 1.008000 0.423800 1.3316E+00 -1.8359E+01 -8.2030E+00 O6 5860 15.999400 -0.847600 1.0870E+01 8.8091E+00 -1.3112E+01 H1 5861 1.008000 0.423800 1.0507E+01 8.9788E+00 -1.4028E+01 H2 5862 1.008000 0.423800 1.1780E+01 9.2171E+00 -1.3034E+01 O6 5863 15.999400 -0.847600 8.5359E+00 5.5189E+00 -1.2331E+00 H1 5864 1.008000 0.423800 8.8981E+00 4.7553E+00 -1.7677E+00 H2 5865 1.008000 0.423800 8.7458E+00 5.3777E+00 -2.6568E-01 O6 5866 15.999400 -0.847600 9.0073E+00 -1.3710E+00 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1.008000 0.423800 1.2614E+01 1.1532E+01 -6.2691E-01 O6 5884 15.999400 -0.847600 -1.8379E+01 1.3511E+01 -7.7094E+00 H1 5885 1.008000 0.423800 -1.8842E+01 1.2629E+01 -7.7910E+00 H2 5886 1.008000 0.423800 -1.7565E+01 1.3516E+01 -8.2904E+00 O6 5887 15.999400 -0.847600 1.3545E+01 9.7400E+00 -1.2558E+01 H1 5888 1.008000 0.423800 1.3423E+01 8.9827E+00 -1.1916E+01 H2 5889 1.008000 0.423800 1.4286E+01 9.5221E+00 -1.3194E+01 O6 5890 15.999400 -0.847600 2.7724E+00 -5.8223E+00 1.2722E+01 H1 5891 1.008000 0.423800 2.7949E+00 -4.9326E+00 1.2266E+01 H2 5892 1.008000 0.423800 3.4953E+00 -5.8617E+00 1.3412E+01 O6 5893 15.999400 -0.847600 1.2240E+01 6.9127E+00 8.9822E+00 H1 5894 1.008000 0.423800 1.3088E+01 6.3944E+00 9.0983E+00 H2 5895 1.008000 0.423800 1.2162E+01 7.5910E+00 9.7128E+00 O6 5896 15.999400 -0.847600 8.6512E+00 -1.3498E+01 3.7176E+00 H1 5897 1.008000 0.423800 7.8316E+00 -1.3763E+01 4.2258E+00 H2 5898 1.008000 0.423800 9.0305E+00 -1.4300E+01 3.2560E+00 O6 5899 15.999400 -0.847600 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-3.5704E+00 -4.5053E-01 -1.8285E+01 H2 5916 1.008000 0.423800 -4.3525E+00 6.2932E-01 -1.9227E+01 O6 5917 15.999400 -0.847600 1.4937E+01 -1.0802E+01 1.2780E+01 H1 5918 1.008000 0.423800 1.3988E+01 -1.0498E+01 1.2868E+01 H2 5919 1.008000 0.423800 1.5396E+01 -1.0720E+01 1.3665E+01 O6 5920 15.999400 -0.847600 6.4983E+00 -1.4038E+01 7.6925E+00 H1 5921 1.008000 0.423800 5.9776E+00 -1.3310E+01 7.2459E+00 H2 5922 1.008000 0.423800 6.1909E+00 -1.4926E+01 7.3503E+00 O6 5923 15.999400 -0.847600 1.4326E+01 7.1156E+00 -3.9996E+00 H1 5924 1.008000 0.423800 1.5269E+01 6.8040E+00 -3.8780E+00 H2 5925 1.008000 0.423800 1.3700E+01 6.4481E+00 -3.5971E+00 O6 5926 15.999400 -0.847600 -1.1939E+01 -9.0559E+00 1.4426E+01 H1 5927 1.008000 0.423800 -1.2084E+01 -9.3720E+00 1.3488E+01 H2 5928 1.008000 0.423800 -1.2322E+01 -8.1381E+00 1.4531E+01 O6 5929 15.999400 -0.847600 -1.8129E+01 4.3529E+00 -1.2787E+01 H1 5930 1.008000 0.423800 -1.8746E+01 3.9693E+00 -1.3473E+01 H2 5931 1.008000 0.423800 -1.7238E+01 4.5351E+00 -1.3204E+01 O6 5932 15.999400 -0.847600 -8.0585E-02 5.7369E+00 -3.4744E-01 H1 5933 1.008000 0.423800 8.3753E-01 5.8899E+00 -7.1310E-01 H2 5934 1.008000 0.423800 -4.8553E-01 4.9357E+00 -7.8800E-01 O6 5935 15.999400 -0.847600 1.9378E+01 -1.3000E+00 1.5874E+01 H1 5936 1.008000 0.423800 -1.9242E+01 -1.8846E+00 1.5218E+01 H2 5937 1.008000 0.423800 1.9057E+01 -4.7338E-01 1.5411E+01 O6 5938 15.999400 -0.847600 -5.6885E+00 7.7499E+00 -1.5320E+01 H1 5939 1.008000 0.423800 -6.0415E+00 7.4450E+00 -1.6205E+01 H2 5940 1.008000 0.423800 -4.8621E+00 8.2951E+00 -1.5461E+01 O6 5941 15.999400 -0.847600 -3.0128E+00 -1.1752E+00 1.3137E+00 H1 5942 1.008000 0.423800 -3.5663E+00 -1.7070E+00 6.7263E-01 H2 5943 1.008000 0.423800 -3.6031E+00 -7.8756E-01 2.0216E+00 O6 5944 15.999400 -0.847600 1.7006E+01 -1.4350E+01 -3.4016E+00 H1 5945 1.008000 0.423800 1.7174E+01 -1.4167E+01 -4.3702E+00 H2 5946 1.008000 0.423800 1.7278E+01 -1.5288E+01 -3.1871E+00 O6 5947 15.999400 -0.847600 -4.4036E+00 1.0094E+01 1.6399E+01 H1 5948 1.008000 0.423800 -3.7174E+00 1.0787E+01 1.6622E+01 H2 5949 1.008000 0.423800 -5.2349E+00 1.0543E+01 1.6071E+01 O6 5950 15.999400 -0.847600 -2.1902E+00 1.8269E+01 4.8344E+00 H1 5951 1.008000 0.423800 -2.4791E+00 1.7323E+01 4.9839E+00 H2 5952 1.008000 0.423800 -1.5109E+00 1.8298E+01 4.1011E+00 O6 5953 15.999400 -0.847600 1.0420E+01 -9.4448E-01 1.8940E+01 H1 5954 1.008000 0.423800 1.0138E+01 -5.1831E-03 1.9136E+01 H2 5955 1.008000 0.423800 9.8321E+00 -1.5800E+00 1.9441E+01 O6 5956 15.999400 -0.847600 8.1199E+00 -4.6017E+00 7.2147E+00 H1 5957 1.008000 0.423800 7.8014E+00 -3.7029E+00 7.5161E+00 H2 5958 1.008000 0.423800 7.3663E+00 -5.0932E+00 6.7782E+00 O6 5959 15.999400 -0.847600 -1.6258E+01 -3.4699E+00 -8.1761E+00 H1 5960 1.008000 0.423800 -1.5917E+01 -3.7647E+00 -9.0686E+00 H2 5961 1.008000 0.423800 -1.6894E+01 -2.7076E+00 -8.2976E+00 O6 5962 15.999400 -0.847600 -1.9268E+01 -1.5570E+01 8.4695E+00 H1 5963 1.008000 0.423800 1.9358E+01 -1.6157E+01 9.1270E+00 H2 5964 1.008000 0.423800 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0.423800 -1.8307E+01 -1.8078E-03 -1.8045E+01 H2 57 1.008000 0.423800 -1.8944E+01 -1.0892E+00 -1.7007E+01 O6 58 15.999400 -0.847600 9.7534E+00 -1.3377E+01 -1.4248E+01 H1 59 1.008000 0.423800 1.0628E+01 -1.3439E+01 -1.4730E+01 H2 60 1.008000 0.423800 9.8089E+00 -1.2668E+01 -1.3546E+01 O6 61 15.999400 -0.847600 1.4637E+01 -7.5146E+00 5.4085E+00 H1 62 1.008000 0.423800 1.4418E+01 -7.2924E+00 6.3586E+00 H2 63 1.008000 0.423800 1.4513E+01 -6.7020E+00 4.8391E+00 O6 64 15.999400 -0.847600 8.7954E+00 -1.2027E+01 -2.5966E+00 H1 65 1.008000 0.423800 8.8951E+00 -1.2601E+01 -1.7832E+00 H2 66 1.008000 0.423800 7.8363E+00 -1.1766E+01 -2.7045E+00 O6 67 15.999400 -0.847600 -7.8090E+00 1.8716E+01 1.1494E+01 H1 68 1.008000 0.423800 -8.6432E+00 1.8345E+01 1.1902E+01 H2 69 1.008000 0.423800 -7.5614E+00 -1.9530E+01 1.1958E+01 O6 70 15.999400 -0.847600 1.1408E+01 -4.5812E+00 3.7984E+00 H1 71 1.008000 0.423800 1.0474E+01 -4.8551E+00 4.0266E+00 H2 72 1.008000 0.423800 1.1577E+01 -4.7479E+00 2.8269E+00 O6 73 15.999400 -0.847600 -5.3991E-01 1.5101E+01 6.9700E+00 H1 74 1.008000 0.423800 2.1394E-01 1.4470E+01 7.1538E+00 H2 75 1.008000 0.423800 -1.3319E+00 1.4844E+01 7.5240E+00 O6 76 15.999400 -0.847600 1.0639E+01 5.8562E+00 -2.9090E+00 H1 77 1.008000 0.423800 1.1638E+01 5.8389E+00 -2.9382E+00 H2 78 1.008000 0.423800 1.0336E+01 6.0096E+00 -1.9686E+00 O6 79 15.999400 -0.847600 6.0650E+00 1.2896E+01 1.3351E+01 H1 80 1.008000 0.423800 6.1246E+00 1.2493E+01 1.2438E+01 H2 81 1.008000 0.423800 6.9835E+00 1.3119E+01 1.3678E+01 O6 82 15.999400 -0.847600 -1.5697E+01 -1.4919E+01 1.4305E-01 H1 83 1.008000 0.423800 -1.4854E+01 -1.5420E+01 -5.5139E-02 H2 84 1.008000 0.423800 -1.6468E+01 -1.5556E+01 1.5174E-01 O6 85 15.999400 -0.847600 4.9882E+00 4.8805E+00 -1.0917E+01 H1 86 1.008000 0.423800 5.0049E+00 4.0923E+00 -1.0302E+01 H2 87 1.008000 0.423800 5.2657E+00 5.7003E+00 -1.0416E+01 O6 88 15.999400 -0.847600 7.9862E+00 -1.7618E+01 -6.4791E+00 H1 89 1.008000 0.423800 7.8400E+00 -1.7928E+01 -5.5397E+00 H2 90 1.008000 0.423800 7.3305E+00 -1.6895E+01 -6.6972E+00 O6 91 15.999400 -0.847600 -1.5058E+00 -1.4901E+00 2.5752E+00 H1 92 1.008000 0.423800 -1.4051E+00 -1.7600E+00 3.5328E+00 H2 93 1.008000 0.423800 -2.4756E+00 -1.4814E+00 2.3316E+00 O6 94 15.999400 -0.847600 -1.3432E+01 7.0813E+00 6.7833E+00 H1 95 1.008000 0.423800 -1.4087E+01 7.7616E+00 7.1132E+00 H2 96 1.008000 0.423800 -1.3702E+01 6.7743E+00 5.8707E+00 O6 97 15.999400 -0.847600 1.1499E+01 -6.4894E+00 1.4980E+01 H1 98 1.008000 0.423800 1.1284E+01 -7.1955E+00 1.4306E+01 H2 99 1.008000 0.423800 1.0925E+01 -6.6163E+00 1.5790E+01 O6 100 15.999400 -0.847600 -4.4050E+00 -1.3594E+01 2.6501E+00 H1 101 1.008000 0.423800 -3.4920E+00 -1.3948E+01 2.8529E+00 H2 102 1.008000 0.423800 -4.3329E+00 -1.2843E+01 1.9943E+00 O6 103 15.999400 -0.847600 1.8702E+01 7.6658E+00 -1.2397E+00 H1 104 1.008000 0.423800 1.8753E+01 7.4169E+00 -2.7256E-01 H2 105 1.008000 0.423800 1.8438E+01 6.8644E+00 -1.7765E+00 O6 106 15.999400 -0.847600 4.4088E+00 1.5921E+01 1.8232E+01 H1 107 1.008000 0.423800 4.3889E+00 1.4923E+01 1.8274E+01 H2 108 1.008000 0.423800 4.9160E+00 1.6211E+01 1.7420E+01 O6 109 15.999400 -0.847600 -1.0705E+01 -1.3812E+01 1.3328E+01 H1 110 1.008000 0.423800 -1.0713E+01 -1.4743E+01 1.2963E+01 H2 111 1.008000 0.423800 -9.9849E+00 -1.3283E+01 1.2879E+01 O6 112 15.999400 -0.847600 6.5840E+00 5.9940E+00 5.6042E+00 H1 113 1.008000 0.423800 5.8739E+00 6.3702E+00 5.0089E+00 H2 114 1.008000 0.423800 6.1711E+00 5.6840E+00 6.4606E+00 O6 115 15.999400 -0.847600 -1.8321E+01 -1.0343E+01 -1.5145E+01 H1 116 1.008000 0.423800 -1.8083E+01 -9.5452E+00 -1.4591E+01 H2 117 1.008000 0.423800 -1.7692E+01 -1.1092E+01 -1.4939E+01 O6 118 15.999400 -0.847600 5.0164E+00 -5.1229E+00 1.1740E+01 H1 119 1.008000 0.423800 5.1566E+00 -4.1453E+00 1.1897E+01 H2 120 1.008000 0.423800 5.4580E+00 -5.3899E+00 1.0884E+01 O6 121 15.999400 -0.847600 -3.1064E+00 4.0360E+00 -5.3167E-01 H1 122 1.008000 0.423800 -2.2645E+00 3.5209E+00 -6.9238E-01 H2 123 1.008000 0.423800 -3.1033E+00 4.8633E+00 -1.0935E+00 O6 124 15.999400 -0.847600 1.3637E+01 1.1722E+01 -1.8193E+01 H1 125 1.008000 0.423800 1.4555E+01 1.1330E+01 -1.8258E+01 H2 126 1.008000 0.423800 1.3615E+01 1.2398E+01 -1.7457E+01 O6 127 15.999400 -0.847600 1.5515E+01 1.7795E+01 -1.3196E+01 H1 128 1.008000 0.423800 1.5834E+01 1.7060E+01 -1.2597E+01 H2 129 1.008000 0.423800 1.5584E+01 1.7501E+01 -1.4150E+01 O6 130 15.999400 -0.847600 1.7178E+01 2.2979E-01 -9.1687E+00 H1 131 1.008000 0.423800 1.6933E+01 -6.9248E-01 -9.4682E+00 H2 132 1.008000 0.423800 1.7024E+01 3.1226E-01 -8.1841E+00 O6 133 15.999400 -0.847600 -1.5411E+01 8.7218E+00 7.2030E+00 H1 134 1.008000 0.423800 -1.5647E+01 8.9786E+00 8.1401E+00 H2 135 1.008000 0.423800 -1.6247E+01 8.5277E+00 6.6898E+00 O6 136 15.999400 -0.847600 1.8321E+01 -1.4945E+00 1.6310E+01 H1 137 1.008000 0.423800 1.8396E+01 -2.4910E+00 1.6346E+01 H2 138 1.008000 0.423800 1.7831E+01 -1.2274E+00 1.5480E+01 O6 139 15.999400 -0.847600 5.2017E+00 -1.8319E+01 -8.2020E+00 H1 140 1.008000 0.423800 4.8331E+00 -1.7412E+01 -7.9989E+00 H2 141 1.008000 0.423800 5.5099E+00 -1.8349E+01 -9.1528E+00 O6 142 15.999400 -0.847600 -1.9257E+01 1.5060E+01 -2.2838E+00 H1 143 1.008000 0.423800 1.9093E+01 1.4789E+01 -2.8909E+00 H2 144 1.008000 0.423800 -1.8858E+01 1.4246E+01 -1.8627E+00 O6 145 15.999400 -0.847600 -1.1169E+01 -1.6087E+01 9.1539E+00 H1 146 1.008000 0.423800 -1.1308E+01 -1.6905E+01 8.5950E+00 H2 147 1.008000 0.423800 -1.0260E+01 -1.6118E+01 9.5694E+00 O6 148 15.999400 -0.847600 -1.3874E+01 7.5847E+00 -6.6440E-01 H1 149 1.008000 0.423800 -1.4772E+01 7.4028E+00 -1.0651E+00 H2 150 1.008000 0.423800 -1.3871E+01 8.4960E+00 -2.5263E-01 O6 151 15.999400 -0.847600 -1.6979E+01 -6.5004E+00 -2.2125E+00 H1 152 1.008000 0.423800 -1.6084E+01 -6.4280E+00 -2.6533E+00 H2 153 1.008000 0.423800 -1.7233E+01 -7.4640E+00 -2.1319E+00 O6 154 15.999400 -0.847600 1.6388E+01 9.1251E+00 -1.6510E+01 H1 155 1.008000 0.423800 1.7233E+01 8.6352E+00 -1.6294E+01 H2 156 1.008000 0.423800 1.5749E+01 8.5041E+00 -1.6964E+01 O6 157 15.999400 -0.847600 1.3311E+01 -2.0480E+00 -1.0013E+01 H1 158 1.008000 0.423800 1.3208E+01 -2.9717E+00 -9.6440E+00 H2 159 1.008000 0.423800 1.3815E+01 -1.4827E+00 -9.3603E+00 O6 160 15.999400 -0.847600 -1.1108E+01 8.4961E+00 -1.4116E+01 H1 161 1.008000 0.423800 -1.0126E+01 8.5054E+00 -1.4303E+01 H2 162 1.008000 0.423800 -1.1612E+01 8.5500E+00 -1.4977E+01 O6 163 15.999400 -0.847600 6.2386E+00 1.1724E+01 -1.1946E+00 H1 164 1.008000 0.423800 6.3983E+00 1.1560E+01 -2.1681E+00 H2 165 1.008000 0.423800 5.2611E+00 1.1645E+01 -9.9931E-01 O6 166 15.999400 -0.847600 1.3216E+01 6.0354E+00 1.7177E+01 H1 167 1.008000 0.423800 1.2729E+01 5.1967E+00 1.6933E+01 H2 168 1.008000 0.423800 1.2555E+01 6.7564E+00 1.7384E+01 O6 169 15.999400 -0.847600 -5.8558E+00 1.7981E+01 7.6274E+00 H1 170 1.008000 0.423800 -6.3415E+00 1.7150E+01 7.8992E+00 H2 171 1.008000 0.423800 -5.2337E+00 1.7771E+01 6.8730E+00 O6 172 15.999400 -0.847600 -8.7769E-01 1.1848E+01 6.9494E+00 H1 173 1.008000 0.423800 9.3147E-02 1.2071E+01 6.8619E+00 H2 174 1.008000 0.423800 -1.2009E+00 1.1429E+01 6.1011E+00 O6 175 15.999400 -0.847600 -1.0403E+01 -1.8712E+01 1.9853E+00 H1 176 1.008000 0.423800 -1.0378E+01 1.9453E+01 2.3475E+00 H2 177 1.008000 0.423800 -1.1351E+01 -1.8398E+01 1.9390E+00 O6 178 15.999400 -0.847600 1.2351E+01 1.7524E+01 9.0146E+00 H1 179 1.008000 0.423800 1.2069E+01 1.7986E+01 9.8551E+00 H2 180 1.008000 0.423800 1.1542E+01 1.7283E+01 8.4787E+00 O6 181 15.999400 -0.847600 1.6411E+01 1.3571E+01 -1.1075E+01 H1 182 1.008000 0.423800 1.7389E+01 1.3474E+01 -1.1257E+01 H2 183 1.008000 0.423800 1.6047E+01 1.2702E+01 -1.0738E+01 O6 184 15.999400 -0.847600 -1.0045E+01 -3.3698E+00 1.5590E+01 H1 185 1.008000 0.423800 -1.0875E+01 -2.9061E+00 1.5281E+01 H2 186 1.008000 0.423800 -1.0226E+01 -4.3484E+00 1.5687E+01 O6 187 15.999400 -0.847600 1.7492E+00 -1.5054E+01 8.2967E+00 H1 188 1.008000 0.423800 2.2614E+00 -1.4255E+01 8.6138E+00 H2 189 1.008000 0.423800 1.7271E+00 -1.5744E+01 9.0196E+00 O6 190 15.999400 -0.847600 -8.1945E+00 -1.2769E+01 1.6788E+01 H1 191 1.008000 0.423800 -7.7303E+00 -1.2436E+01 1.7609E+01 H2 192 1.008000 0.423800 -7.7901E+00 -1.2341E+01 1.5980E+01 O6 193 15.999400 -0.847600 -8.0976E+00 1.7713E+01 -1.9140E+01 H1 194 1.008000 0.423800 -8.5946E+00 1.8574E+01 -1.9034E+01 H2 195 1.008000 0.423800 -7.1848E+00 1.7804E+01 -1.8742E+01 O6 196 15.999400 -0.847600 -3.4816E+00 1.1528E+01 -5.2332E+00 H1 197 1.008000 0.423800 -2.7834E+00 1.0993E+01 -4.7576E+00 H2 198 1.008000 0.423800 -3.9445E+00 1.0949E+01 -5.9049E+00 O6 199 15.999400 -0.847600 -4.0885E+00 -1.2402E+01 -1.0690E+01 H1 200 1.008000 0.423800 -4.6901E+00 -1.1622E+01 -1.0862E+01 H2 201 1.008000 0.423800 -3.5633E+00 -1.2606E+01 -1.1516E+01 O6 202 15.999400 -0.847600 -1.8944E+01 2.1833E-01 -4.5260E+00 H1 203 1.008000 0.423800 -1.9478E+01 -4.1003E-01 -3.9608E+00 H2 204 1.008000 0.423800 -1.9214E+01 1.1708E-01 -5.4836E+00 O6 205 15.999400 -0.847600 1.4009E+01 -6.4822E+00 7.7807E+00 H1 206 1.008000 0.423800 1.4275E+01 -5.5710E+00 7.4662E+00 H2 207 1.008000 0.423800 1.3012E+01 -6.5387E+00 7.8335E+00 O6 208 15.999400 -0.847600 1.4088E+01 7.1180E+00 -1.4260E+01 H1 209 1.008000 0.423800 1.3182E+01 6.8757E+00 -1.4609E+01 H2 210 1.008000 0.423800 1.4125E+01 8.1015E+00 -1.4084E+01 O6 211 15.999400 -0.847600 1.0974E+01 -1.7727E+01 -9.5971E+00 H1 212 1.008000 0.423800 1.0059E+01 -1.7621E+01 -9.9866E+00 H2 213 1.008000 0.423800 1.0901E+01 -1.7873E+01 -8.6105E+00 O6 214 15.999400 -0.847600 -5.2331E+00 -5.1197E+00 -1.3266E+01 H1 215 1.008000 0.423800 -4.6615E+00 -5.1696E+00 -1.4085E+01 H2 216 1.008000 0.423800 -5.5934E+00 -6.0284E+00 -1.3055E+01 O6 217 15.999400 -0.847600 9.2970E+00 -7.5387E+00 7.1794E+00 H1 218 1.008000 0.423800 9.5662E+00 -8.4748E+00 6.9528E+00 H2 219 1.008000 0.423800 8.9937E+00 -7.0692E+00 6.3502E+00 O6 220 15.999400 -0.847600 3.9500E+00 -8.5489E+00 5.5269E-01 H1 221 1.008000 0.423800 4.3430E+00 -8.1720E+00 1.3915E+00 H2 222 1.008000 0.423800 3.7495E+00 -9.5195E+00 6.8546E-01 O6 223 15.999400 -0.847600 1.4075E+01 1.8560E+01 1.3946E+01 H1 224 1.008000 0.423800 1.3985E+01 1.9412E+01 1.4462E+01 H2 225 1.008000 0.423800 1.4203E+01 1.8770E+01 1.2977E+01 O6 226 15.999400 -0.847600 -5.6761E+00 1.6117E+01 1.7372E+01 H1 227 1.008000 0.423800 -6.5487E+00 1.6605E+01 1.7354E+01 H2 228 1.008000 0.423800 -5.6924E+00 1.5432E+01 1.8100E+01 O6 229 15.999400 -0.847600 -5.4552E+00 6.2353E+00 -3.9195E+00 H1 230 1.008000 0.423800 -6.2794E+00 6.5294E+00 -4.4035E+00 H2 231 1.008000 0.423800 -5.6035E+00 6.3094E+00 -2.9334E+00 O6 232 15.999400 -0.847600 1.6663E+01 -3.8602E+00 -7.0248E+00 H1 233 1.008000 0.423800 1.6232E+01 -3.5976E+00 -7.8880E+00 H2 234 1.008000 0.423800 1.7320E+01 -3.1572E+00 -6.7533E+00 O6 235 15.999400 -0.847600 5.8092E+00 -8.4488E+00 5.4020E+00 H1 236 1.008000 0.423800 4.8671E+00 -8.4225E+00 5.7363E+00 H2 237 1.008000 0.423800 6.1870E+00 -7.5229E+00 5.3968E+00 O6 238 15.999400 -0.847600 1.1289E+01 -1.1625E+01 -9.6762E-02 H1 239 1.008000 0.423800 1.1724E+01 -1.0726E+01 -1.4470E-01 H2 240 1.008000 0.423800 1.1219E+01 -1.2011E+01 -1.0166E+00 O6 241 15.999400 -0.847600 1.7011E+01 2.6096E+00 -1.2707E+01 H1 242 1.008000 0.423800 1.6788E+01 3.2934E+00 -1.2012E+01 H2 243 1.008000 0.423800 1.7335E+01 3.0684E+00 -1.3535E+01 O6 244 15.999400 -0.847600 -1.8326E+01 -8.2940E+00 5.2070E+00 H1 245 1.008000 0.423800 -1.8621E+01 -7.9511E+00 4.3152E+00 H2 246 1.008000 0.423800 -1.8323E+01 -7.5437E+00 5.8681E+00 O6 247 15.999400 -0.847600 -5.7730E-02 -8.9886E+00 -2.5284E-01 H1 248 1.008000 0.423800 1.5708E-01 -9.9084E+00 -5.8134E-01 H2 249 1.008000 0.423800 -5.7731E-02 -8.9834E+00 7.4713E-01 O6 250 15.999400 -0.847600 -1.2013E+01 1.5973E+01 -1.3132E+01 H1 251 1.008000 0.423800 -1.1061E+01 1.5699E+01 -1.2999E+01 H2 252 1.008000 0.423800 -1.2360E+01 1.5572E+01 -1.3980E+01 O6 253 15.999400 -0.847600 6.9236E+00 1.2909E+00 1.7391E+01 H1 254 1.008000 0.423800 6.5974E+00 4.3306E-01 1.6994E+01 H2 255 1.008000 0.423800 7.8431E+00 1.1584E+00 1.7761E+01 O6 256 15.999400 -0.847600 -4.7551E+00 1.0027E+01 2.0807E-01 H1 257 1.008000 0.423800 -4.0335E+00 1.0174E+01 -4.6848E-01 H2 258 1.008000 0.423800 -4.6726E+00 9.1056E+00 5.8856E-01 O6 259 15.999400 -0.847600 -7.4539E+00 1.3883E+01 2.0522E+00 H1 260 1.008000 0.423800 -8.0006E+00 1.3161E+01 1.6288E+00 H2 261 1.008000 0.423800 -6.4896E+00 1.3748E+01 1.8240E+00 O6 262 15.999400 -0.847600 3.1583E+00 -1.6393E+00 1.2834E+01 H1 263 1.008000 0.423800 3.2410E+00 -6.6586E-01 1.3047E+01 H2 264 1.008000 0.423800 2.6985E+00 -2.1080E+00 1.3588E+01 O6 265 15.999400 -0.847600 -1.7625E+01 5.8854E+00 -8.1086E+00 H1 266 1.008000 0.423800 -1.7713E+01 5.2651E+00 -7.3292E+00 H2 267 1.008000 0.423800 -1.7787E+01 5.3806E+00 -8.9564E+00 O6 268 15.999400 -0.847600 -6.7433E+00 7.6120E+00 1.1200E+01 H1 269 1.008000 0.423800 -7.1198E+00 7.3431E+00 1.0314E+01 H2 270 1.008000 0.423800 -6.0151E+00 6.9774E+00 1.1459E+01 O6 271 15.999400 -0.847600 1.7338E+00 -2.8087E+00 -1.6478E+01 H1 272 1.008000 0.423800 2.2113E+00 -2.3491E+00 -1.7227E+01 H2 273 1.008000 0.423800 2.3171E+00 -3.5294E+00 -1.6103E+01 O6 274 15.999400 -0.847600 -6.4898E+00 -1.4880E+01 6.1427E-01 H1 275 1.008000 0.423800 -5.8800E+00 -1.4756E+01 1.3971E+00 H2 276 1.008000 0.423800 -7.1586E+00 -1.5594E+01 8.2242E-01 O6 277 15.999400 -0.847600 1.0338E+01 -7.5598E-01 1.6984E+01 H1 278 1.008000 0.423800 1.0010E+01 -6.4649E-01 1.6046E+01 H2 279 1.008000 0.423800 1.1337E+01 -7.0692E-01 1.6996E+01 O6 280 15.999400 -0.847600 -1.0637E+01 8.8813E+00 1.5409E+01 H1 281 1.008000 0.423800 -1.0752E+01 9.2645E+00 1.6326E+01 H2 282 1.008000 0.423800 -1.1296E+01 8.1414E+00 1.5272E+01 O6 283 15.999400 -0.847600 1.1187E+01 1.7011E-01 1.1232E+01 H1 284 1.008000 0.423800 1.1761E+01 1.9902E-01 1.0413E+01 H2 285 1.008000 0.423800 1.1333E+01 -6.9584E-01 1.1710E+01 O6 286 15.999400 -0.847600 -4.7464E+00 -1.2055E+01 -1.5200E+01 H1 287 1.008000 0.423800 -4.8828E+00 -1.2729E+01 -1.5925E+01 H2 288 1.008000 0.423800 -5.5574E+00 -1.2025E+01 -1.4615E+01 O6 289 15.999400 -0.847600 -1.1827E+01 -9.3567E+00 -3.9491E+00 H1 290 1.008000 0.423800 -1.2673E+01 -9.2220E+00 -4.4644E+00 H2 291 1.008000 0.423800 -1.1111E+01 -9.6863E+00 -4.5645E+00 O6 292 15.999400 -0.847600 -5.8970E+00 -1.8096E+00 -4.3457E+00 H1 293 1.008000 0.423800 -6.0418E+00 -1.3425E+00 -3.4734E+00 H2 294 1.008000 0.423800 -6.1932E+00 -2.7615E+00 -4.2673E+00 O6 295 15.999400 -0.847600 1.8091E+01 9.7660E+00 -3.1727E+00 H1 296 1.008000 0.423800 1.8437E+01 9.0227E+00 -2.6003E+00 H2 297 1.008000 0.423800 1.7128E+01 9.9312E+00 -2.9584E+00 O6 298 15.999400 -0.847600 5.6342E+00 3.6033E+00 -1.3329E+01 H1 299 1.008000 0.423800 5.4897E+00 3.9346E+00 -1.2397E+01 H2 300 1.008000 0.423800 4.7497E+00 3.4698E+00 -1.3776E+01 O6 301 15.999400 -0.847600 1.1334E+00 -1.1606E+01 -1.7570E+01 H1 302 1.008000 0.423800 9.3850E-01 -1.1223E+01 -1.6667E+01 H2 303 1.008000 0.423800 1.8442E+00 -1.2305E+01 -1.7490E+01 O6 304 15.999400 -0.847600 4.0592E+00 9.6232E-02 2.6661E-01 H1 305 1.008000 0.423800 3.7984E+00 3.0475E-01 1.2092E+00 H2 306 1.008000 0.423800 4.1567E+00 9.4787E-01 -2.4835E-01 O6 307 15.999400 -0.847600 1.0941E+01 1.6607E+01 -1.0882E+01 H1 308 1.008000 0.423800 1.1346E+01 1.7286E+01 -1.1493E+01 H2 309 1.008000 0.423800 1.1081E+01 1.6887E+01 -9.9319E+00 O6 310 15.999400 -0.847600 8.8376E+00 -1.1561E+01 -7.9236E+00 H1 311 1.008000 0.423800 8.4376E+00 -1.0813E+01 -8.4535E+00 H2 312 1.008000 0.423800 8.8461E+00 -1.2394E+01 -8.4768E+00 O6 313 15.999400 -0.847600 -1.1516E+01 -3.6029E+00 5.7311E+00 H1 314 1.008000 0.423800 -1.1003E+01 -4.0211E+00 6.4809E+00 H2 315 1.008000 0.423800 -1.0922E+01 -2.9720E+00 5.2322E+00 O6 316 15.999400 -0.847600 -1.3275E+01 1.6715E+01 -2.8813E+00 H1 317 1.008000 0.423800 -1.3289E+01 1.5886E+01 -2.3222E+00 H2 318 1.008000 0.423800 -1.4073E+01 1.7278E+01 -2.6636E+00 O6 319 15.999400 -0.847600 1.9266E+01 -9.1310E+00 1.4191E+01 H1 320 1.008000 0.423800 1.8633E+01 -8.9696E+00 1.3433E+01 H2 321 1.008000 0.423800 1.9353E+01 -1.0115E+01 1.4349E+01 O6 322 15.999400 -0.847600 -1.8178E+01 1.9129E+01 -1.4781E+01 H1 323 1.008000 0.423800 -1.8372E+01 -1.9073E+01 -1.5182E+01 H2 324 1.008000 0.423800 -1.8403E+01 1.9145E+01 -1.3807E+01 O6 325 15.999400 -0.847600 5.8852E-01 -1.2901E+01 -1.2532E+01 H1 326 1.008000 0.423800 1.1552E-01 -1.3719E+01 -1.2205E+01 H2 327 1.008000 0.423800 3.0996E-01 -1.2709E+01 -1.3473E+01 O6 328 15.999400 -0.847600 1.5080E+00 1.7006E+01 -6.9368E+00 H1 329 1.008000 0.423800 5.3487E-01 1.7092E+01 -6.7233E+00 H2 330 1.008000 0.423800 1.7428E+00 1.7633E+01 -7.6799E+00 O6 331 15.999400 -0.847600 -1.7474E+01 2.0085E+00 -8.1211E+00 H1 332 1.008000 0.423800 -1.7380E+01 2.6371E+00 -7.3491E+00 H2 333 1.008000 0.423800 -1.8176E+01 2.3509E+00 -8.7461E+00 O6 334 15.999400 -0.847600 -1.9224E+01 -1.7436E+01 -1.5348E+01 H1 335 1.008000 0.423800 1.9045E+01 -1.7351E+01 -1.4794E+01 H2 336 1.008000 0.423800 -1.9248E+01 -1.6765E+01 -1.6089E+01 O6 337 15.999400 -0.847600 -4.2531E-01 -6.0816E+00 1.2422E+01 H1 338 1.008000 0.423800 -8.3557E-01 -6.8925E+00 1.2840E+01 H2 339 1.008000 0.423800 -8.0957E-01 -5.2598E+00 1.2843E+01 O6 340 15.999400 -0.847600 3.4369E+00 1.2709E+00 1.3574E+01 H1 341 1.008000 0.423800 2.8115E+00 2.0131E+00 1.3815E+01 H2 342 1.008000 0.423800 3.9393E+00 9.8098E-01 1.4389E+01 O6 343 15.999400 -0.847600 3.7260E+00 -1.8000E+01 2.7660E-02 H1 344 1.008000 0.423800 3.3034E+00 -1.7268E+01 5.6207E-01 H2 345 1.008000 0.423800 4.7043E+00 -1.7818E+01 -7.1459E-02 O6 346 15.999400 -0.847600 1.2865E+01 -6.0279E+00 -7.2693E+00 H1 347 1.008000 0.423800 1.3665E+01 -6.1267E+00 -6.6786E+00 H2 348 1.008000 0.423800 1.2062E+01 -5.8201E+00 -6.7105E+00 O6 349 15.999400 -0.847600 4.6556E+00 -1.5297E+01 1.1444E+01 H1 350 1.008000 0.423800 3.8885E+00 -1.4663E+01 1.1343E+01 H2 351 1.008000 0.423800 4.8639E+00 -1.5416E+01 1.2414E+01 O6 352 15.999400 -0.847600 -1.5233E+01 -1.5074E+01 1.7015E+01 H1 353 1.008000 0.423800 -1.4267E+01 -1.5124E+01 1.7270E+01 H2 354 1.008000 0.423800 -1.5343E+01 -1.5365E+01 1.6065E+01 O6 355 15.999400 -0.847600 4.8322E-01 -5.4919E+00 -2.4420E+00 H1 356 1.008000 0.423800 8.2014E-01 -6.1218E+00 -1.7421E+00 H2 357 1.008000 0.423800 1.2061E+00 -4.8445E+00 -2.6835E+00 O6 358 15.999400 -0.847600 1.4861E+01 -8.3998E+00 -1.6979E+00 H1 359 1.008000 0.423800 1.5416E+01 -9.0667E+00 -1.2003E+00 H2 360 1.008000 0.423800 1.5456E+01 -7.8209E+00 -2.2553E+00 O6 361 15.999400 -0.847600 -1.2399E+01 -1.0003E+01 5.3029E+00 H1 362 1.008000 0.423800 -1.2463E+01 -1.0080E+01 4.3080E+00 H2 363 1.008000 0.423800 -1.3296E+01 -9.7692E+00 5.6776E+00 O6 364 15.999400 -0.847600 8.9036E+00 4.0659E+00 -6.9029E+00 H1 365 1.008000 0.423800 8.8480E+00 4.6326E+00 -7.7250E+00 H2 366 1.008000 0.423800 8.7126E+00 4.6273E+00 -6.0977E+00 O6 367 15.999400 -0.847600 5.6605E+00 -9.0664E+00 -3.4172E+00 H1 368 1.008000 0.423800 4.9382E+00 -8.5044E+00 -3.0142E+00 H2 369 1.008000 0.423800 5.5101E+00 -9.1460E+00 -4.4026E+00 O6 370 15.999400 -0.847600 1.6115E+01 1.2419E+01 -7.6873E+00 H1 371 1.008000 0.423800 1.7062E+01 1.2103E+01 -7.7512E+00 H2 372 1.008000 0.423800 1.5542E+01 1.1882E+01 -8.3062E+00 O6 373 15.999400 -0.847600 5.6011E+00 -1.1614E+01 -6.3943E+00 H1 374 1.008000 0.423800 4.8730E+00 -1.2054E+01 -6.9197E+00 H2 375 1.008000 0.423800 5.4602E+00 -1.0624E+01 -6.3945E+00 O6 376 15.999400 -0.847600 -1.3966E+01 -1.9404E+01 1.1010E+01 H1 377 1.008000 0.423800 -1.4643E+01 1.8986E+01 1.0808E+01 H2 378 1.008000 0.423800 -1.4428E+01 -1.8593E+01 1.1369E+01 O6 379 15.999400 -0.847600 -1.0813E+01 -6.0706E+00 1.5611E+01 H1 380 1.008000 0.423800 -1.0994E+01 -7.0015E+00 1.5928E+01 H2 381 1.008000 0.423800 -1.1195E+01 -5.9507E+00 1.4695E+01 O6 382 15.999400 -0.847600 4.1821E+00 -1.7143E+01 -1.9194E+01 H1 383 1.008000 0.423800 3.6353E+00 -1.6593E+01 -1.8563E+01 H2 384 1.008000 0.423800 3.6927E+00 -1.7988E+01 -1.9409E+01 O6 385 15.999400 -0.847600 -3.1359E+00 -1.7341E+01 -3.8448E+00 H1 386 1.008000 0.423800 -2.5337E+00 -1.7885E+01 -3.2601E+00 H2 387 1.008000 0.423800 -2.8063E+00 -1.6398E+01 -3.8771E+00 O6 388 15.999400 -0.847600 -1.8991E+01 1.9334E+01 -2.4337E-01 H1 389 1.008000 0.423800 -1.8825E+01 1.9006E+01 -1.1733E+00 H2 390 1.008000 0.423800 -1.8336E+01 1.8910E+01 3.8185E-01 O6 391 15.999400 -0.847600 -9.0343E+00 4.4841E+00 -1.3944E+01 H1 392 1.008000 0.423800 -9.3940E+00 3.6143E+00 -1.3607E+01 H2 393 1.008000 0.423800 -8.9178E+00 4.4337E+00 -1.4936E+01 O6 394 15.999400 -0.847600 -3.2391E+00 7.5515E-02 -1.4982E+01 H1 395 1.008000 0.423800 -2.7944E+00 9.5295E-01 -1.4802E+01 H2 396 1.008000 0.423800 -3.9657E+00 2.0248E-01 -1.5657E+01 O6 397 15.999400 -0.847600 1.0504E+01 -1.4627E+01 -1.7972E+01 H1 398 1.008000 0.423800 9.6641E+00 -1.5141E+01 -1.8145E+01 H2 399 1.008000 0.423800 1.0756E+01 -1.4113E+01 -1.8791E+01 O6 400 15.999400 -0.847600 1.7175E+01 -7.5024E+00 -3.4509E+00 H1 401 1.008000 0.423800 1.7714E+01 -6.9170E+00 -4.0563E+00 H2 402 1.008000 0.423800 1.7509E+01 -7.4088E+00 -2.5128E+00 O6 403 15.999400 -0.847600 -6.0735E-01 8.1211E+00 8.2020E+00 H1 404 1.008000 0.423800 -1.4111E+00 8.7034E+00 8.3243E+00 H2 405 1.008000 0.423800 1.9201E-01 8.5676E+00 8.6040E+00 O6 406 15.999400 -0.847600 -1.1814E+01 1.6775E+01 4.5617E-01 H1 407 1.008000 0.423800 -1.2207E+01 1.7617E+01 8.2666E-01 H2 408 1.008000 0.423800 -1.1193E+01 1.6373E+01 1.1286E+00 O6 409 15.999400 -0.847600 -1.5051E+01 1.9202E+01 6.2538E+00 H1 410 1.008000 0.423800 -1.4403E+01 1.8606E+01 5.7795E+00 H2 411 1.008000 0.423800 -1.5590E+01 1.8660E+01 6.8990E+00 O6 412 15.999400 -0.847600 1.3235E+01 -1.4345E+01 1.8068E+01 H1 413 1.008000 0.423800 1.2595E+01 -1.4647E+01 1.7363E+01 H2 414 1.008000 0.423800 1.3656E+01 -1.5142E+01 1.8501E+01 O6 415 15.999400 -0.847600 -1.2815E+01 3.3502E+00 -5.7337E+00 H1 416 1.008000 0.423800 -1.2081E+01 3.2319E+00 -5.0644E+00 H2 417 1.008000 0.423800 -1.3689E+01 3.0999E+00 -5.3177E+00 O6 418 15.999400 -0.847600 -8.9533E+00 -9.6162E+00 9.3807E+00 H1 419 1.008000 0.423800 -8.2842E+00 -8.8982E+00 9.1884E+00 H2 420 1.008000 0.423800 -8.5077E+00 -1.0510E+01 9.3276E+00 O6 421 15.999400 -0.847600 1.1957E+01 1.8084E+01 -8.4969E+00 H1 422 1.008000 0.423800 1.2553E+01 1.8855E+01 -8.2714E+00 H2 423 1.008000 0.423800 1.1006E+01 1.8394E+01 -8.5168E+00 O6 424 15.999400 -0.847600 8.1484E+00 1.2646E+01 2.7958E-01 H1 425 1.008000 0.423800 7.4393E+00 1.2470E+01 -4.0312E-01 H2 426 1.008000 0.423800 8.8920E+00 1.1987E+01 1.6563E-01 O6 427 15.999400 -0.847600 1.8587E+01 -1.0201E+01 -1.4037E+00 H1 428 1.008000 0.423800 1.8534E+01 -1.1081E+01 -1.8758E+00 H2 429 1.008000 0.423800 1.7745E+01 -1.0050E+01 -8.8549E-01 O6 430 15.999400 -0.847600 2.8810E+00 -4.5391E+00 2.8198E+00 H1 431 1.008000 0.423800 3.1853E+00 -4.7455E+00 1.8899E+00 H2 432 1.008000 0.423800 2.1794E+00 -3.8271E+00 2.7905E+00 O6 433 15.999400 -0.847600 1.8463E+01 -1.4172E+00 -3.2246E+00 H1 434 1.008000 0.423800 1.7764E+01 -9.6867E-01 -2.6682E+00 H2 435 1.008000 0.423800 1.8571E+01 -2.3648E+00 -2.9240E+00 O6 436 15.999400 -0.847600 -6.5921E+00 -1.8085E+01 -5.2836E-01 H1 437 1.008000 0.423800 -6.0491E+00 -1.8668E+01 7.6607E-02 H2 438 1.008000 0.423800 -7.3796E+00 -1.7727E+01 -2.7182E-02 O6 439 15.999400 -0.847600 2.9916E+00 -1.1100E+01 4.7483E-01 H1 440 1.008000 0.423800 3.4466E+00 -1.1951E+01 7.3905E-01 H2 441 1.008000 0.423800 2.6662E+00 -1.1175E+01 -4.6775E-01 O6 442 15.999400 -0.847600 1.1906E+01 -1.5915E+01 1.1364E+01 H1 443 1.008000 0.423800 1.2520E+01 -1.6518E+01 1.0855E+01 H2 444 1.008000 0.423800 1.0990E+01 -1.5957E+01 1.0964E+01 O6 445 15.999400 -0.847600 -1.2836E+01 -1.6855E+01 4.9854E+00 H1 446 1.008000 0.423800 -1.3335E+01 -1.7076E+01 4.1473E+00 H2 447 1.008000 0.423800 -1.3370E+01 -1.6210E+01 5.5311E+00 O6 448 15.999400 -0.847600 1.7272E+01 -1.7548E+01 6.6090E+00 H1 449 1.008000 0.423800 1.7088E+01 -1.6585E+01 6.8053E+00 H2 450 1.008000 0.423800 1.6536E+01 -1.7920E+01 6.0443E+00 O6 451 15.999400 -0.847600 6.4517E-01 1.6676E+01 5.1738E+00 H1 452 1.008000 0.423800 6.9866E-02 1.7098E+01 4.4733E+00 H2 453 1.008000 0.423800 6.9839E-02 1.6173E+01 5.8188E+00 O6 454 15.999400 -0.847600 3.5712E+00 9.0672E+00 -1.6536E+01 H1 455 1.008000 0.423800 3.0940E+00 9.9284E+00 -1.6361E+01 H2 456 1.008000 0.423800 3.7544E+00 8.6053E+00 -1.5668E+01 O6 457 15.999400 -0.847600 2.2926E-01 -1.5829E+01 1.4813E+01 H1 458 1.008000 0.423800 -1.9393E-01 -1.6567E+01 1.4288E+01 H2 459 1.008000 0.423800 1.0170E+00 -1.6185E+01 1.5315E+01 O6 460 15.999400 -0.847600 6.3789E+00 -7.8461E+00 -2.6420E-01 H1 461 1.008000 0.423800 6.3231E+00 -6.9549E+00 -7.1456E-01 H2 462 1.008000 0.423800 5.4669E+00 -8.1251E+00 3.6652E-02 O6 463 15.999400 -0.847600 2.0202E+00 6.1855E+00 -1.1543E+00 H1 464 1.008000 0.423800 2.4931E+00 6.9545E+00 -1.5844E+00 H2 465 1.008000 0.423800 2.4921E+00 5.9347E+00 -3.0912E-01 O6 466 15.999400 -0.847600 -1.5641E+01 -4.5314E+00 4.2393E+00 H1 467 1.008000 0.423800 -1.6623E+01 -4.6091E+00 4.4115E+00 H2 468 1.008000 0.423800 -1.5204E+01 -5.4160E+00 4.4000E+00 O6 469 15.999400 -0.847600 -1.4155E+01 1.5901E+01 -6.0666E+00 H1 470 1.008000 0.423800 -1.4346E+01 1.5078E+01 -6.6022E+00 H2 471 1.008000 0.423800 -1.4595E+01 1.5825E+01 -5.1715E+00 O6 472 15.999400 -0.847600 -1.4130E+01 -5.3968E+00 1.5055E-01 H1 473 1.008000 0.423800 -1.3992E+01 -4.5282E+00 6.2644E-01 H2 474 1.008000 0.423800 -1.3487E+01 -5.4648E+00 -6.1244E-01 O6 475 15.999400 -0.847600 7.1138E+00 9.2653E+00 -6.4713E-01 H1 476 1.008000 0.423800 7.9336E+00 9.0407E+00 -1.1738E+00 H2 477 1.008000 0.423800 6.7623E+00 1.0154E+01 -9.4073E-01 O6 478 15.999400 -0.847600 1.2552E+01 -2.1819E+00 4.6038E+00 H1 479 1.008000 0.423800 1.2067E+01 -1.6919E+00 5.3282E+00 H2 480 1.008000 0.423800 1.2117E+01 -3.0696E+00 4.4530E+00 O6 481 15.999400 -0.847600 -1.5543E+01 1.9407E+01 -8.5547E-01 H1 482 1.008000 0.423800 -1.5309E+01 1.8653E+01 -2.4086E-01 H2 483 1.008000 0.423800 -1.5697E+01 1.9049E+01 -1.7767E+00 O6 484 15.999400 -0.847600 1.1054E+01 2.0900E+00 -1.0895E+01 H1 485 1.008000 0.423800 1.0255E+01 2.6331E+00 -1.0639E+01 H2 486 1.008000 0.423800 1.0781E+01 1.1379E+00 -1.1031E+01 O6 487 15.999400 -0.847600 -5.1051E+00 -3.4165E+00 3.5915E-01 H1 488 1.008000 0.423800 -4.3805E+00 -3.1385E+00 -2.7152E-01 H2 489 1.008000 0.423800 -5.1576E+00 -4.4147E+00 3.8721E-01 O6 490 15.999400 -0.847600 -1.6249E+01 -1.8138E+01 -1.1287E+01 H1 491 1.008000 0.423800 -1.6000E+01 -1.9086E+01 -1.1487E+01 H2 492 1.008000 0.423800 -1.6028E+01 -1.7930E+01 -1.0335E+01 O6 493 15.999400 -0.847600 -1.5793E+01 -3.0384E+00 -1.3041E+01 H1 494 1.008000 0.423800 -1.6286E+01 -3.0553E+00 -1.3911E+01 H2 495 1.008000 0.423800 -1.6442E+01 -2.8937E+00 -1.2294E+01 O6 496 15.999400 -0.847600 -1.7198E+01 3.2531E+00 -1.4750E+00 H1 497 1.008000 0.423800 -1.7287E+01 2.3062E+00 -1.7841E+00 H2 498 1.008000 0.423800 -1.6874E+01 3.8215E+00 -2.2312E+00 O6 499 15.999400 -0.847600 -9.8199E+00 1.5520E+01 -1.5850E+01 H1 500 1.008000 0.423800 -9.3425E+00 1.6064E+01 -1.5161E+01 H2 501 1.008000 0.423800 -1.0249E+01 1.4729E+01 -1.5413E+01 O6 502 15.999400 -0.847600 1.6724E+01 5.1210E+00 9.3159E+00 H1 503 1.008000 0.423800 1.7143E+01 5.6105E+00 8.5513E+00 H2 504 1.008000 0.423800 1.7325E+01 4.3754E+00 9.6040E+00 O6 505 15.999400 -0.847600 -8.2448E+00 1.9200E+00 9.1453E+00 H1 506 1.008000 0.423800 -8.6837E+00 1.3910E+00 9.8716E+00 H2 507 1.008000 0.423800 -7.7995E+00 1.2971E+00 8.5020E+00 O6 508 15.999400 -0.847600 1.4542E+01 9.1848E+00 8.2527E+00 H1 509 1.008000 0.423800 1.3924E+01 9.0913E+00 9.0332E+00 H2 510 1.008000 0.423800 1.4663E+01 8.2939E+00 7.8148E+00 O6 511 15.999400 -0.847600 1.4232E+00 -1.8480E+01 5.7176E+00 H1 512 1.008000 0.423800 1.5848E+00 -1.8832E+01 4.7960E+00 H2 513 1.008000 0.423800 1.0770E+00 -1.7543E+01 5.6600E+00 O6 514 15.999400 -0.847600 1.7174E+01 1.7827E+01 9.6689E+00 H1 515 1.008000 0.423800 1.6427E+01 1.8060E+01 9.0470E+00 H2 516 1.008000 0.423800 1.7664E+01 1.7029E+01 9.3173E+00 O6 517 15.999400 -0.847600 8.7427E+00 -1.7034E+01 3.4400E+00 H1 518 1.008000 0.423800 8.7895E+00 -1.7883E+01 3.9649E+00 H2 519 1.008000 0.423800 8.9926E+00 -1.7215E+01 2.4889E+00 O6 520 15.999400 -0.847600 1.4593E+01 1.0811E+01 -5.0922E+00 H1 521 1.008000 0.423800 1.4913E+01 1.0426E+01 -5.9577E+00 H2 522 1.008000 0.423800 1.4862E+01 1.1773E+01 -5.0360E+00 O6 523 15.999400 -0.847600 -1.5893E+01 1.7976E+01 1.3520E+01 H1 524 1.008000 0.423800 -1.5008E+01 1.8361E+01 1.3781E+01 H2 525 1.008000 0.423800 -1.6105E+01 1.8237E+01 1.2578E+01 O6 526 15.999400 -0.847600 8.4045E+00 -2.7980E+00 1.0625E+01 H1 527 1.008000 0.423800 8.3379E+00 -2.2179E+00 9.8134E+00 H2 528 1.008000 0.423800 7.4882E+00 -2.9748E+00 1.0985E+01 O6 529 15.999400 -0.847600 -5.3328E+00 -1.7717E+01 4.1950E+00 H1 530 1.008000 0.423800 -5.1000E+00 -1.8422E+01 4.8659E+00 H2 531 1.008000 0.423800 -6.0920E+00 -1.7166E+01 4.5406E+00 O6 532 15.999400 -0.847600 8.6495E+00 5.5673E+00 -4.7351E+00 H1 533 1.008000 0.423800 9.3931E+00 5.5303E+00 -4.0675E+00 H2 534 1.008000 0.423800 7.9119E+00 6.1420E+00 -4.3807E+00 O6 535 15.999400 -0.847600 -1.0118E+01 9.3737E+00 1.8104E+01 H1 536 1.008000 0.423800 -1.0753E+01 9.4192E+00 1.8875E+01 H2 537 1.008000 0.423800 -9.5521E+00 1.0198E+01 1.8089E+01 O6 538 15.999400 -0.847600 7.6841E+00 -7.5480E+00 2.1940E+00 H1 539 1.008000 0.423800 7.3573E+00 -7.7089E+00 1.2626E+00 H2 540 1.008000 0.423800 8.5052E+00 -8.0946E+00 2.3580E+00 O6 541 15.999400 -0.847600 1.0750E+01 1.2977E+01 8.4253E+00 H1 542 1.008000 0.423800 1.1000E+01 1.2022E+01 8.2653E+00 H2 543 1.008000 0.423800 1.1227E+01 1.3315E+01 9.2370E+00 O6 544 15.999400 -0.847600 -1.7774E+01 -9.5419E+00 1.1134E+01 H1 545 1.008000 0.423800 -1.6980E+01 -9.5974E+00 1.0528E+01 H2 546 1.008000 0.423800 -1.7632E+01 -8.8145E+00 1.1805E+01 O6 547 15.999400 -0.847600 1.7835E+01 1.3856E+01 -3.6430E+00 H1 548 1.008000 0.423800 1.8386E+01 1.3049E+01 -3.8536E+00 H2 549 1.008000 0.423800 1.7009E+01 1.3853E+01 -4.2076E+00 O6 550 15.999400 -0.847600 -8.3855E+00 -8.7714E+00 2.7426E+00 H1 551 1.008000 0.423800 -8.3611E+00 -9.5164E+00 3.4093E+00 H2 552 1.008000 0.423800 -9.2074E+00 -8.8553E+00 2.1792E+00 O6 553 15.999400 -0.847600 1.3823E+01 -6.4957E+00 2.2477E-01 H1 554 1.008000 0.423800 1.3993E+01 -7.0727E+00 -5.7420E-01 H2 555 1.008000 0.423800 1.4451E+01 -6.7517E+00 9.5998E-01 O6 556 15.999400 -0.847600 7.9846E+00 9.1114E+00 2.3405E+00 H1 557 1.008000 0.423800 7.0845E+00 9.2613E+00 2.7498E+00 H2 558 1.008000 0.423800 7.9974E+00 9.4910E+00 1.4154E+00 O6 559 15.999400 -0.847600 -1.4835E+00 -1.1337E+01 -2.6781E+00 H1 560 1.008000 0.423800 -9.6748E-01 -1.1692E+01 -1.8989E+00 H2 561 1.008000 0.423800 -2.4235E+00 -1.1675E+01 -2.6379E+00 O6 562 15.999400 -0.847600 -6.0457E+00 6.9257E+00 1.5165E+01 H1 563 1.008000 0.423800 -5.7518E+00 7.8102E+00 1.5527E+01 H2 564 1.008000 0.423800 -7.0222E+00 6.8013E+00 1.5341E+01 O6 565 15.999400 -0.847600 -1.5232E+01 1.3033E+01 -1.2536E+01 H1 566 1.008000 0.423800 -1.6068E+01 1.3574E+01 -1.2632E+01 H2 567 1.008000 0.423800 -1.5272E+01 1.2247E+01 -1.3152E+01 O6 568 15.999400 -0.847600 3.4181E+00 -1.5009E+01 -2.8422E+00 H1 569 1.008000 0.423800 3.5684E+00 -1.5341E+01 -3.7732E+00 H2 570 1.008000 0.423800 3.8759E+00 -1.5617E+01 -2.1932E+00 O6 571 15.999400 -0.847600 -1.1876E+01 1.2455E+01 -2.3604E+00 H1 572 1.008000 0.423800 -1.2853E+01 1.2630E+01 -2.2383E+00 H2 573 1.008000 0.423800 -1.1458E+01 1.2263E+01 -1.4723E+00 O6 574 15.999400 -0.847600 7.1239E+00 1.0844E+01 -3.9370E+00 H1 575 1.008000 0.423800 6.4484E+00 1.0166E+01 -4.2262E+00 H2 576 1.008000 0.423800 6.9917E+00 1.1688E+01 -4.4561E+00 O6 577 15.999400 -0.847600 1.3548E+01 1.3998E+01 1.9211E+01 H1 578 1.008000 0.423800 1.2753E+01 1.4208E+01 1.8643E+01 H2 579 1.008000 0.423800 1.3453E+01 1.3077E+01 -1.9508E+01 O6 580 15.999400 -0.847600 -1.7048E+01 -5.6167E+00 5.6648E-01 H1 581 1.008000 0.423800 -1.7367E+01 -5.9874E+00 -3.0576E-01 H2 582 1.008000 0.423800 -1.6056E+01 -5.4928E+00 5.3312E-01 O6 583 15.999400 -0.847600 1.8299E+01 -1.7057E+01 1.4034E+01 H1 584 1.008000 0.423800 1.7320E+01 -1.6852E+01 1.4047E+01 H2 585 1.008000 0.423800 1.8432E+01 -1.8048E+01 1.4047E+01 O6 586 15.999400 -0.847600 -8.0141E+00 1.5946E+01 -2.1408E+00 H1 587 1.008000 0.423800 -7.4725E+00 1.6783E+01 -2.0636E+00 H2 588 1.008000 0.423800 -8.9869E+00 1.6173E+01 -2.0987E+00 O6 589 15.999400 -0.847600 -1.7428E+01 4.9610E-01 -1.4171E+01 H1 590 1.008000 0.423800 -1.7499E+01 5.2541E-01 -1.5168E+01 H2 591 1.008000 0.423800 -1.6576E+01 4.0142E-02 -1.3911E+01 O6 592 15.999400 -0.847600 -4.3842E+00 1.2878E+01 1.7194E+01 H1 593 1.008000 0.423800 -5.2023E+00 1.2708E+01 1.6645E+01 H2 594 1.008000 0.423800 -4.6332E+00 1.3401E+01 1.8010E+01 O6 595 15.999400 -0.847600 1.3073E+01 -2.2696E+00 -1.5882E+01 H1 596 1.008000 0.423800 1.2655E+01 -2.6524E+00 -1.5058E+01 H2 597 1.008000 0.423800 1.4062E+01 -2.2016E+00 -1.5753E+01 O6 598 15.999400 -0.847600 3.5325E+00 1.3944E+01 -2.4740E+00 H1 599 1.008000 0.423800 3.1063E+00 1.3263E+01 -3.0697E+00 H2 600 1.008000 0.423800 3.6880E+00 1.3545E+01 -1.5702E+00 O6 601 15.999400 -0.847600 -9.8048E+00 1.7755E+01 2.6269E+00 H1 602 1.008000 0.423800 -9.0109E+00 1.7363E+01 2.1624E+00 H2 603 1.008000 0.423800 -1.0498E+01 1.7047E+01 2.7571E+00 O6 604 15.999400 -0.847600 1.5307E+01 1.1337E+01 -1.0038E+01 H1 605 1.008000 0.423800 1.4350E+01 1.1173E+01 -9.8007E+00 H2 606 1.008000 0.423800 1.5609E+01 1.0651E+01 -1.0700E+01 O6 607 15.999400 -0.847600 9.5283E+00 1.8565E+01 9.4111E+00 H1 608 1.008000 0.423800 9.5991E+00 1.9264E+01 8.6998E+00 H2 609 1.008000 0.423800 1.0217E+01 1.8736E+01 1.0116E+01 O6 610 15.999400 -0.847600 -1.1846E+01 -4.5375E+00 -1.2078E+01 H1 611 1.008000 0.423800 -1.2507E+01 -3.8321E+00 -1.1824E+01 H2 612 1.008000 0.423800 -1.2327E+01 -5.3928E+00 -1.2269E+01 O6 613 15.999400 -0.847600 1.3552E+00 1.4600E+01 -8.2333E+00 H1 614 1.008000 0.423800 1.1773E+00 1.5421E+01 -7.6913E+00 H2 615 1.008000 0.423800 1.0765E+00 1.4759E+01 -9.1804E+00 O6 616 15.999400 -0.847600 6.4308E-01 -1.0871E+01 -1.0633E+01 H1 617 1.008000 0.423800 6.5575E-01 -1.1607E+01 -1.1310E+01 H2 618 1.008000 0.423800 -2.0195E-01 -1.0922E+01 -1.0100E+01 O6 619 15.999400 -0.847600 -1.0907E+01 -8.8546E+00 1.4268E+00 H1 620 1.008000 0.423800 -1.1293E+01 -8.7258E+00 5.1330E-01 H2 621 1.008000 0.423800 -1.1560E+01 -9.3534E+00 1.9971E+00 O6 622 15.999400 -0.847600 9.3614E+00 3.3646E-01 -1.7858E+01 H1 623 1.008000 0.423800 1.0031E+01 8.8754E-01 -1.7360E+01 H2 624 1.008000 0.423800 8.7525E+00 -1.1701E-01 -1.7207E+01 O6 625 15.999400 -0.847600 5.2627E+00 7.5615E+00 5.4916E-01 H1 626 1.008000 0.423800 5.8890E+00 8.1913E+00 8.9653E-02 H2 627 1.008000 0.423800 5.4227E+00 7.5930E+00 1.5358E+00 O6 628 15.999400 -0.847600 1.2598E+01 1.3526E+01 -1.0376E+01 H1 629 1.008000 0.423800 1.3188E+01 1.4051E+01 -9.7626E+00 H2 630 1.008000 0.423800 1.2618E+01 1.2561E+01 -1.0113E+01 O6 631 15.999400 -0.847600 5.3823E+00 -3.8676E+00 1.5518E+01 H1 632 1.008000 0.423800 4.4423E+00 -3.6114E+00 1.5292E+01 H2 633 1.008000 0.423800 5.6979E+00 -3.3250E+00 1.6296E+01 O6 634 15.999400 -0.847600 -1.7527E+01 -5.9763E+00 -1.4750E+01 H1 635 1.008000 0.423800 -1.7607E+01 -6.1585E+00 -1.5730E+01 H2 636 1.008000 0.423800 -1.8292E+01 -6.4022E+00 -1.4267E+01 O6 637 15.999400 -0.847600 9.8746E+00 1.4977E+01 -7.2675E+00 H1 638 1.008000 0.423800 1.0112E+01 1.4755E+01 -8.2134E+00 H2 639 1.008000 0.423800 9.2384E+00 1.5748E+01 -7.2555E+00 O6 640 15.999400 -0.847600 -1.7288E+01 6.2855E+00 -1.9473E+01 H1 641 1.008000 0.423800 -1.8240E+01 6.5737E+00 -1.9379E+01 H2 642 1.008000 0.423800 -1.7249E+01 5.2925E+00 1.9512E+01 O6 643 15.999400 -0.847600 -1.0906E+01 1.1358E+01 4.2483E+00 H1 644 1.008000 0.423800 -1.0586E+01 1.2281E+01 4.4601E+00 H2 645 1.008000 0.423800 -1.0183E+01 1.0855E+01 3.7758E+00 O6 646 15.999400 -0.847600 1.1382E+01 1.5987E+01 -1.6892E+01 H1 647 1.008000 0.423800 1.1285E+01 1.6649E+01 -1.6148E+01 H2 648 1.008000 0.423800 1.1120E+01 1.6417E+01 -1.7756E+01 O6 649 15.999400 -0.847600 -2.7064E+00 -2.1971E+00 -2.6408E-01 H1 650 1.008000 0.423800 -2.4123E+00 -2.3041E+00 -1.2139E+00 H2 651 1.008000 0.423800 -3.3127E+00 -1.4054E+00 -1.9011E-01 O6 652 15.999400 -0.847600 1.1188E+01 1.4116E+01 5.7897E+00 H1 653 1.008000 0.423800 1.2116E+01 1.4454E+01 5.6358E+00 H2 654 1.008000 0.423800 1.1064E+01 1.3912E+01 6.7607E+00 O6 655 15.999400 -0.847600 -1.6934E+01 1.5580E+01 1.1785E+01 H1 656 1.008000 0.423800 -1.6195E+01 1.6207E+01 1.2033E+01 H2 657 1.008000 0.423800 -1.7766E+01 1.5834E+01 1.2277E+01 O6 658 15.999400 -0.847600 1.0441E+01 2.9319E+00 1.4725E+01 H1 659 1.008000 0.423800 1.0974E+01 2.1332E+00 1.5004E+01 H2 660 1.008000 0.423800 9.9827E+00 3.3231E+00 1.5523E+01 O6 661 15.999400 -0.847600 6.4931E+00 1.2898E+01 -5.4437E+00 H1 662 1.008000 0.423800 6.3863E+00 1.3024E+01 -6.4300E+00 H2 663 1.008000 0.423800 6.0645E+00 1.3662E+01 -4.9617E+00 O6 664 15.999400 -0.847600 1.2043E+01 1.5461E+01 -2.9400E+00 H1 665 1.008000 0.423800 1.2986E+01 1.5562E+01 -2.6241E+00 H2 666 1.008000 0.423800 1.1424E+01 1.5890E+01 -2.2826E+00 O6 667 15.999400 -0.847600 1.1094E+01 -1.2170E+01 1.3439E+01 H1 668 1.008000 0.423800 1.1124E+01 -1.2405E+01 1.2468E+01 H2 669 1.008000 0.423800 1.0227E+01 -1.2477E+01 1.3830E+01 O6 670 15.999400 -0.847600 1.4728E+01 -1.3261E+01 -1.7366E+01 H1 671 1.008000 0.423800 1.4311E+01 -1.4127E+01 -1.7090E+01 H2 672 1.008000 0.423800 1.5258E+01 -1.2889E+01 -1.6604E+01 O6 673 15.999400 -0.847600 -3.6783E-02 1.4201E+01 1.8318E+01 H1 674 1.008000 0.423800 -2.9751E-01 1.4149E+01 1.7354E+01 H2 675 1.008000 0.423800 8.6560E-01 1.4624E+01 1.8397E+01 O6 676 15.999400 -0.847600 -1.9268E+01 3.8492E+00 -9.6937E+00 H1 677 1.008000 0.423800 1.9308E+01 4.7017E+00 -9.7270E+00 H2 678 1.008000 0.423800 -1.9472E+01 3.3018E+00 -1.0505E+01 O6 679 15.999400 -0.847600 1.7868E+01 -1.2625E+00 1.2131E+00 H1 680 1.008000 0.423800 1.7700E+01 -2.2394E+00 1.3442E+00 H2 681 1.008000 0.423800 1.7364E+01 -9.4203E-01 4.1102E-01 O6 682 15.999400 -0.847600 -4.0257E+00 -1.2565E+01 9.6588E+00 H1 683 1.008000 0.423800 -4.7798E+00 -1.3167E+01 9.3960E+00 H2 684 1.008000 0.423800 -3.2309E+00 -1.3117E+01 9.9106E+00 O6 685 15.999400 -0.847600 -3.3057E+00 8.0212E+00 4.3998E+00 H1 686 1.008000 0.423800 -2.4969E+00 8.5603E+00 4.6347E+00 H2 687 1.008000 0.423800 -3.5147E+00 7.3908E+00 5.1474E+00 O6 688 15.999400 -0.847600 -3.0677E+00 -1.8198E+01 -1.1533E+01 H1 689 1.008000 0.423800 -2.4537E+00 -1.8757E+01 -1.0976E+01 H2 690 1.008000 0.423800 -3.9887E+00 -1.8587E+01 -1.1506E+01 O6 691 15.999400 -0.847600 -8.6168E+00 3.8725E-01 -1.8458E+01 H1 692 1.008000 0.423800 -9.2213E+00 -2.7246E-01 -1.8012E+01 H2 693 1.008000 0.423800 -8.0268E+00 -8.9353E-02 -1.9110E+01 O6 694 15.999400 -0.847600 5.4480E+00 1.8788E+00 7.7999E+00 H1 695 1.008000 0.423800 5.7729E+00 1.3262E+00 7.0323E+00 H2 696 1.008000 0.423800 4.7359E+00 1.3788E+00 8.2926E+00 O6 697 15.999400 -0.847600 5.1395E+00 5.6786E+00 -1.6955E+01 H1 698 1.008000 0.423800 5.9844E+00 6.1542E+00 -1.6710E+01 H2 699 1.008000 0.423800 4.4010E+00 5.9791E+00 -1.6351E+01 O6 700 15.999400 -0.847600 1.6340E+01 -1.4118E+01 1.5901E+01 H1 701 1.008000 0.423800 1.6450E+01 -1.3762E+01 1.6829E+01 H2 702 1.008000 0.423800 1.7210E+01 -1.4050E+01 1.5413E+01 O6 703 15.999400 -0.847600 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720 1.008000 0.423800 -9.7901E+00 1.1818E+01 5.1890E-01 O6 721 15.999400 -0.847600 -9.6883E+00 -1.5450E+01 -2.2572E+00 H1 722 1.008000 0.423800 -8.8805E+00 -1.4875E+01 -2.3864E+00 H2 723 1.008000 0.423800 -9.5042E+00 -1.6368E+01 -2.6100E+00 O6 724 15.999400 -0.847600 -1.0467E+01 -1.9162E+01 -9.6762E-01 H1 725 1.008000 0.423800 -1.0578E+01 -1.8890E+01 -1.1695E-02 H2 726 1.008000 0.423800 -1.0198E+01 1.8974E+01 -1.0114E+00 O6 727 15.999400 -0.847600 7.0075E-02 1.3709E+01 -1.4241E+01 H1 728 1.008000 0.423800 9.2913E-01 1.3426E+01 -1.4668E+01 H2 729 1.008000 0.423800 -5.1974E-01 1.2910E+01 -1.4120E+01 O6 730 15.999400 -0.847600 -1.1798E+01 -1.1765E+01 7.2103E+00 H1 731 1.008000 0.423800 -1.0811E+01 -1.1753E+01 7.3699E+00 H2 732 1.008000 0.423800 -1.2030E+01 -1.1093E+01 6.5075E+00 O6 733 15.999400 -0.847600 -1.4930E+01 1.3175E+01 1.5852E+01 H1 734 1.008000 0.423800 -1.5220E+01 1.2946E+01 1.6781E+01 H2 735 1.008000 0.423800 -1.5059E+01 1.4154E+01 1.5694E+01 O6 736 15.999400 -0.847600 9.9069E+00 -1.8126E+01 7.8357E+00 H1 737 1.008000 0.423800 9.1004E+00 -1.7536E+01 7.7999E+00 H2 738 1.008000 0.423800 1.0668E+01 -1.7626E+01 8.2492E+00 O6 739 15.999400 -0.847600 -1.1091E+01 -9.8189E+00 -1.5150E+01 H1 740 1.008000 0.423800 -1.0867E+01 -8.9634E+00 -1.5617E+01 H2 741 1.008000 0.423800 -1.2015E+01 -9.7608E+00 -1.4772E+01 O6 742 15.999400 -0.847600 -1.4992E+01 1.5276E+01 5.7176E+00 H1 743 1.008000 0.423800 -1.4164E+01 1.5832E+01 5.6451E+00 H2 744 1.008000 0.423800 -1.5797E+01 1.5866E+01 5.6506E+00 O6 745 15.999400 -0.847600 -6.4137E+00 -1.3927E+01 1.0911E+01 H1 746 1.008000 0.423800 -6.5311E+00 -1.2934E+01 1.0923E+01 H2 747 1.008000 0.423800 -5.9779E+00 -1.4221E+01 1.1761E+01 O6 748 15.999400 -0.847600 -2.4152E+00 -1.5135E+01 8.8719E+00 H1 749 1.008000 0.423800 -2.8300E+00 -1.5533E+01 9.6899E+00 H2 750 1.008000 0.423800 -2.3301E+00 -1.5837E+01 8.1653E+00 O6 751 15.999400 -0.847600 6.5944E+00 -5.5330E+00 -1.5361E+00 H1 752 1.008000 0.423800 7.1487E+00 -5.7279E+00 -2.3453E+00 H2 753 1.008000 0.423800 5.8414E+00 -4.9245E+00 -1.7867E+00 O6 754 15.999400 -0.847600 -1.8939E+00 -1.4902E+01 -3.8005E+00 H1 755 1.008000 0.423800 -2.2431E+00 -1.4034E+01 -3.4480E+00 H2 756 1.008000 0.423800 -9.8018E-01 -1.4764E+01 -4.1823E+00 O6 757 15.999400 -0.847600 8.5792E+00 -5.2406E+00 1.7026E+01 H1 758 1.008000 0.423800 8.4232E+00 -4.4701E+00 1.7644E+01 H2 759 1.008000 0.423800 8.0285E+00 -5.1219E+00 1.6199E+01 O6 760 15.999400 -0.847600 5.1287E+00 1.9292E+01 4.9967E+00 H1 761 1.008000 0.423800 5.7387E+00 -1.9403E+01 5.6795E+00 H2 762 1.008000 0.423800 4.2461E+00 1.9086E+01 5.4188E+00 O6 763 15.999400 -0.847600 -5.3527E+00 6.5800E+00 -1.2547E+00 H1 764 1.008000 0.423800 -5.1318E+00 6.0068E+00 -4.6561E-01 H2 765 1.008000 0.423800 -6.0683E+00 7.2317E+00 -1.0033E+00 O6 766 15.999400 -0.847600 -1.3272E+01 1.9522E+01 -1.4222E+01 H1 767 1.008000 0.423800 -1.2403E+01 1.9162E+01 -1.3883E+01 H2 768 1.008000 0.423800 -1.3515E+01 -1.8753E+01 -1.3707E+01 O6 769 15.999400 -0.847600 -1.9157E+01 -7.0203E-02 -1.0623E+01 H1 770 1.008000 0.423800 -1.8987E+01 7.0635E-01 -1.1229E+01 H2 771 1.008000 0.423800 1.9110E+01 9.7527E-02 -1.0092E+01 O6 772 15.999400 -0.847600 -1.0513E+01 -3.3654E+00 -1.4307E+01 H1 773 1.008000 0.423800 -1.1188E+01 -3.7947E+00 -1.3706E+01 H2 774 1.008000 0.423800 -9.7753E+00 -4.0130E+00 -1.4496E+01 O6 775 15.999400 -0.847600 1.7783E+01 9.0940E+00 1.9400E+01 H1 776 1.008000 0.423800 1.7567E+01 9.8898E+00 -1.9132E+01 H2 777 1.008000 0.423800 1.7195E+01 9.0896E+00 1.8592E+01 O6 778 15.999400 -0.847600 -1.7508E+01 1.5946E+01 -5.9971E+00 H1 779 1.008000 0.423800 -1.8059E+01 1.6745E+01 -5.7585E+00 H2 780 1.008000 0.423800 -1.7232E+01 1.5469E+01 -5.1621E+00 O6 781 15.999400 -0.847600 5.9243E+00 -8.6224E+00 1.2127E+01 H1 782 1.008000 0.423800 6.8865E+00 -8.7993E+00 1.1920E+01 H2 783 1.008000 0.423800 5.8595E+00 -8.0312E+00 1.2931E+01 O6 784 15.999400 -0.847600 7.9119E+00 1.7015E+01 -6.9930E+00 H1 785 1.008000 0.423800 8.1340E+00 1.6497E+01 -6.1670E+00 H2 786 1.008000 0.423800 7.0128E+00 1.7440E+01 -6.8880E+00 O6 787 15.999400 -0.847600 1.6864E+00 4.8472E+00 -8.1303E+00 H1 788 1.008000 0.423800 2.0765E+00 3.9281E+00 -8.1862E+00 H2 789 1.008000 0.423800 7.1296E-01 4.7831E+00 -7.9103E+00 O6 790 15.999400 -0.847600 6.8971E-01 1.1423E+01 -1.1318E+01 H1 791 1.008000 0.423800 4.8550E-01 1.0460E+01 -1.1493E+01 H2 792 1.008000 0.423800 -1.3563E-01 1.1970E+01 -1.1460E+01 O6 793 15.999400 -0.847600 1.1788E+01 -1.0184E+01 -1.5937E+01 H1 794 1.008000 0.423800 1.1858E+01 -9.6674E+00 -1.5083E+01 H2 795 1.008000 0.423800 1.1362E+01 -9.6124E+00 -1.6638E+01 O6 796 15.999400 -0.847600 2.8946E+00 1.8363E+01 6.1379E+00 H1 797 1.008000 0.423800 2.2348E+00 1.7646E+01 5.9150E+00 H2 798 1.008000 0.423800 2.4919E+00 1.9258E+01 5.9444E+00 O6 799 15.999400 -0.847600 1.2181E+01 -1.9151E+01 1.6099E+01 H1 800 1.008000 0.423800 1.1275E+01 -1.8903E+01 1.5757E+01 H2 801 1.008000 0.423800 1.2790E+01 -1.8361E+01 1.6033E+01 O6 802 15.999400 -0.847600 -1.5516E+01 -2.0439E+00 1.4956E+01 H1 803 1.008000 0.423800 -1.6495E+01 -2.1371E+00 1.4777E+01 H2 804 1.008000 0.423800 -1.5374E+01 -1.7929E+00 1.5914E+01 O6 805 15.999400 -0.847600 -1.7793E+01 -6.1681E+00 7.0575E+00 H1 806 1.008000 0.423800 -1.8763E+01 -6.2891E+00 7.2676E+00 H2 807 1.008000 0.423800 -1.7484E+01 -5.2844E+00 7.4086E+00 O6 808 15.999400 -0.847600 1.8117E+01 -1.6225E+00 -6.2838E+00 H1 809 1.008000 0.423800 1.7689E+01 -1.1056E+00 -5.5422E+00 H2 810 1.008000 0.423800 1.8785E+01 -1.0438E+00 -6.7514E+00 O6 811 15.999400 -0.847600 -5.1694E+00 1.2592E+01 -1.1983E+01 H1 812 1.008000 0.423800 -4.5024E+00 1.3138E+01 -1.2490E+01 H2 813 1.008000 0.423800 -5.6159E+00 1.3166E+01 -1.1296E+01 O6 814 15.999400 -0.847600 -6.1803E+00 1.8178E+01 -2.5406E+00 H1 815 1.008000 0.423800 -6.1881E+00 1.9173E+01 -2.4402E+00 H2 816 1.008000 0.423800 -6.2038E+00 1.7941E+01 -3.5118E+00 O6 817 15.999400 -0.847600 -1.4529E+01 8.7609E+00 1.5048E+01 H1 818 1.008000 0.423800 -1.3850E+01 8.0280E+00 1.5092E+01 H2 819 1.008000 0.423800 -1.4089E+01 9.6055E+00 1.4744E+01 O6 820 15.999400 -0.847600 1.6235E+01 8.5684E+00 1.6941E+01 H1 821 1.008000 0.423800 1.5279E+01 8.4584E+00 1.6668E+01 H2 822 1.008000 0.423800 1.6618E+01 9.3763E+00 1.6494E+01 O6 823 15.999400 -0.847600 7.4741E-01 -1.8360E+01 -7.3443E+00 H1 824 1.008000 0.423800 1.5434E+00 -1.8870E+01 -7.6696E+00 H2 825 1.008000 0.423800 1.0278E+00 -1.7733E+01 -6.6173E+00 O6 826 15.999400 -0.847600 -1.6955E+00 -4.7161E+00 6.3376E-01 H1 827 1.008000 0.423800 -7.5667E-01 -4.4491E+00 8.5155E-01 H2 828 1.008000 0.423800 -2.2331E+00 -3.9002E+00 4.2094E-01 O6 829 15.999400 -0.847600 -1.3623E+01 1.5237E+01 -1.5219E+01 H1 830 1.008000 0.423800 -1.4022E+01 1.4322E+01 -1.5160E+01 H2 831 1.008000 0.423800 -1.4317E+01 1.5918E+01 -1.4986E+01 O6 832 15.999400 -0.847600 7.7185E+00 -3.7374E+00 3.9945E-01 H1 833 1.008000 0.423800 8.2908E+00 -2.9244E+00 2.9241E-01 H2 834 1.008000 0.423800 7.0782E+00 -3.7974E+00 -3.6636E-01 O6 835 15.999400 -0.847600 1.8458E+01 -1.9464E+00 7.5207E+00 H1 836 1.008000 0.423800 1.7678E+01 -1.4756E+00 7.1086E+00 H2 837 1.008000 0.423800 1.8875E+01 -1.3577E+00 8.2133E+00 O6 838 15.999400 -0.847600 2.2251E+00 1.5503E+01 1.4195E+01 H1 839 1.008000 0.423800 3.1563E+00 1.5734E+01 1.3913E+01 H2 840 1.008000 0.423800 1.6379E+00 1.5441E+01 1.3388E+01 O6 841 15.999400 -0.847600 -1.7058E+01 8.4108E+00 -1.4325E+01 H1 842 1.008000 0.423800 -1.6437E+01 7.6940E+00 -1.4641E+01 H2 843 1.008000 0.423800 -1.7681E+01 8.0334E+00 -1.3640E+01 O6 844 15.999400 -0.847600 4.2248E+00 1.8023E+01 8.5877E+00 H1 845 1.008000 0.423800 4.0408E+00 1.7954E+01 7.6072E+00 H2 846 1.008000 0.423800 3.8810E+00 1.8897E+01 8.9307E+00 O6 847 15.999400 -0.847600 6.1485E+00 -1.5684E+01 1.8465E+01 H1 848 1.008000 0.423800 5.6684E+00 -1.4816E+01 1.8591E+01 H2 849 1.008000 0.423800 5.5353E+00 -1.6441E+01 1.8693E+01 O6 850 15.999400 -0.847600 2.3967E+00 -1.8463E+01 -2.1711E+00 H1 851 1.008000 0.423800 2.4582E+00 -1.9404E+01 -2.5024E+00 H2 852 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1.2465E+00 -3.5269E-01 H1 869 1.008000 0.423800 1.9060E+01 2.1673E+00 -3.0128E-01 H2 870 1.008000 0.423800 1.9329E+01 5.8864E-01 1.7706E-02 O6 871 15.999400 -0.847600 -1.2347E+01 1.0851E+00 -1.2223E+01 H1 872 1.008000 0.423800 -1.1920E+01 3.1000E-01 -1.1757E+01 H2 873 1.008000 0.423800 -1.2975E+01 1.5467E+00 -1.1596E+01 O6 874 15.999400 -0.847600 -5.1885E+00 1.4164E+01 -1.9448E+01 H1 875 1.008000 0.423800 -6.0743E+00 1.4347E+01 -1.9021E+01 H2 876 1.008000 0.423800 -4.4983E+00 1.4027E+01 -1.8737E+01 O6 877 15.999400 -0.847600 -1.6520E+01 4.9907E+00 -1.5419E+01 H1 878 1.008000 0.423800 -1.6605E+01 4.1306E+00 -1.5922E+01 H2 879 1.008000 0.423800 -1.7400E+01 5.4656E+00 -1.5420E+01 O6 880 15.999400 -0.847600 -1.3590E+01 -1.3774E+01 -7.8131E+00 H1 881 1.008000 0.423800 -1.4291E+01 -1.4098E+01 -7.1782E+00 H2 882 1.008000 0.423800 -1.2802E+01 -1.4389E+01 -7.7820E+00 O6 883 15.999400 -0.847600 -4.3332E+00 -1.0647E+01 1.4088E+01 H1 884 1.008000 0.423800 -4.7572E+00 -9.8280E+00 1.3703E+01 H2 885 1.008000 0.423800 -3.3597E+00 -1.0658E+01 1.3860E+01 O6 886 15.999400 -0.847600 -1.0573E+01 -1.4864E+01 3.0613E-01 H1 887 1.008000 0.423800 -1.0565E+01 -1.5209E+01 -6.3266E-01 H2 888 1.008000 0.423800 -1.0587E+01 -1.3865E+01 2.9415E-01 O6 889 15.999400 -0.847600 1.8474E+00 1.3161E+01 1.0222E+01 H1 890 1.008000 0.423800 9.6807E-01 1.3108E+01 9.7487E+00 H2 891 1.008000 0.423800 2.5197E+00 1.2599E+01 9.7396E+00 O6 892 15.999400 -0.847600 1.8754E+00 9.9646E+00 3.4290E+00 H1 893 1.008000 0.423800 1.8217E+00 9.7274E+00 4.3990E+00 H2 894 1.008000 0.423800 1.4915E+00 9.2206E+00 2.8822E+00 O6 895 15.999400 -0.847600 -1.9319E+01 -1.6280E+01 9.3419E-01 H1 896 1.008000 0.423800 1.9130E+01 -1.6180E+01 1.7954E-01 H2 897 1.008000 0.423800 -1.9277E+01 -1.5426E+01 1.4529E+00 O6 898 15.999400 -0.847600 -1.5604E+00 -1.8370E+01 6.8981E+00 H1 899 1.008000 0.423800 -8.5621E-01 -1.8277E+01 6.1942E+00 H2 900 1.008000 0.423800 -1.6892E+00 -1.9338E+01 7.1151E+00 O6 901 15.999400 -0.847600 -9.3614E+00 1.8919E+01 1.5811E+01 H1 902 1.008000 0.423800 -9.0996E+00 -1.9213E+01 1.5825E+01 H2 903 1.008000 0.423800 -9.5110E+00 1.8628E+01 1.4866E+01 O6 904 15.999400 -0.847600 -5.9504E+00 -1.7315E+01 -1.2221E+01 H1 905 1.008000 0.423800 -5.5169E+00 -1.6896E+01 -1.1423E+01 H2 906 1.008000 0.423800 -6.0460E+00 -1.6632E+01 -1.2945E+01 O6 907 15.999400 -0.847600 4.3799E+00 8.9265E+00 -1.9129E+01 H1 908 1.008000 0.423800 3.6812E+00 8.9513E+00 -1.8414E+01 H2 909 1.008000 0.423800 4.2648E+00 8.0992E+00 1.9419E+01 O6 910 15.999400 -0.847600 -7.9944E+00 1.4163E+01 -4.2517E+00 H1 911 1.008000 0.423800 -8.0252E+00 1.4854E+01 -3.5299E+00 H2 912 1.008000 0.423800 -7.0854E+00 1.4156E+01 -4.6684E+00 O6 913 15.999400 -0.847600 -9.4820E+00 3.7035E+00 -9.0842E+00 H1 914 1.008000 0.423800 -9.5205E+00 4.6472E+00 -9.4129E+00 H2 915 1.008000 0.423800 -1.0349E+01 3.4680E+00 -8.6451E+00 O6 916 15.999400 -0.847600 5.5002E+00 -1.8394E+01 -1.1277E+01 H1 917 1.008000 0.423800 5.5112E+00 -1.8936E+01 -1.2118E+01 H2 918 1.008000 0.423800 5.9851E+00 -1.7533E+01 -1.1429E+01 O6 919 15.999400 -0.847600 2.8330E+00 -6.5280E+00 -1.5275E+01 H1 920 1.008000 0.423800 3.2296E+00 -7.3687E+00 -1.5644E+01 H2 921 1.008000 0.423800 3.4823E+00 -5.7759E+00 -1.5387E+01 O6 922 15.999400 -0.847600 -1.3984E+00 -1.9018E+01 -9.1091E+00 H1 923 1.008000 0.423800 -2.2165E+00 -1.8580E+01 -8.7368E+00 H2 924 1.008000 0.423800 -6.6267E-01 -1.8979E+01 -8.4329E+00 O6 925 15.999400 -0.847600 -6.3998E-01 8.4200E+00 5.3734E+00 H1 926 1.008000 0.423800 -9.3084E-01 8.2521E+00 6.3153E+00 H2 927 1.008000 0.423800 2.9870E-01 8.7648E+00 5.3709E+00 O6 928 15.999400 -0.847600 -5.6706E+00 -3.4454E+00 1.1298E+01 H1 929 1.008000 0.423800 -5.8220E+00 -4.3773E+00 1.1628E+01 H2 930 1.008000 0.423800 -6.3200E+00 -3.2414E+00 1.0566E+01 O6 931 15.999400 -0.847600 -1.6742E+01 1.2135E+01 7.0558E-01 H1 932 1.008000 0.423800 -1.7284E+01 1.2084E+01 1.5443E+00 H2 933 1.008000 0.423800 -1.5775E+01 1.2005E+01 9.2538E-01 O6 934 15.999400 -0.847600 5.3404E-01 1.2385E+01 1.2773E+01 H1 935 1.008000 0.423800 -3.8955E-01 1.2294E+01 1.2400E+01 H2 936 1.008000 0.423800 1.1012E+00 1.2906E+01 1.2135E+01 O6 937 15.999400 -0.847600 9.9889E+00 -1.5948E+01 -2.2543E+00 H1 938 1.008000 0.423800 1.0290E+01 -1.5307E+01 -1.5481E+00 H2 939 1.008000 0.423800 1.0299E+01 -1.6870E+01 -2.0220E+00 O6 940 15.999400 -0.847600 -2.3000E+00 1.4788E+01 1.2034E+01 H1 941 1.008000 0.423800 -1.3105E+00 1.4928E+01 1.1997E+01 H2 942 1.008000 0.423800 -2.4938E+00 1.3821E+01 1.2199E+01 O6 943 15.999400 -0.847600 5.2715E-01 -1.5979E+01 6.1118E+00 H1 944 1.008000 0.423800 1.0624E+00 -1.5771E+01 6.9304E+00 H2 945 1.008000 0.423800 9.5954E-04 -1.5172E+01 5.8432E+00 O6 946 15.999400 -0.847600 -5.5254E+00 -1.5834E+00 -1.0198E+01 H1 947 1.008000 0.423800 -4.8430E+00 -9.3285E-01 -1.0531E+01 H2 948 1.008000 0.423800 -5.1113E+00 -2.4903E+00 -1.0120E+01 O6 949 15.999400 -0.847600 1.7744E+01 -6.6347E+00 -9.2509E-01 H1 950 1.008000 0.423800 1.7597E+01 -5.7374E+00 -5.0848E-01 H2 951 1.008000 0.423800 1.8161E+01 -7.2489E+00 -2.5545E-01 O6 952 15.999400 -0.847600 8.1873E+00 1.2451E+01 -8.1072E+00 H1 953 1.008000 0.423800 8.8101E+00 1.2953E+01 -8.7076E+00 H2 954 1.008000 0.423800 7.3907E+00 1.3020E+01 -7.9031E+00 O6 955 15.999400 -0.847600 9.4906E+00 -3.4594E+00 -3.4918E+00 H1 956 1.008000 0.423800 1.0285E+01 -3.5390E+00 -4.0946E+00 H2 957 1.008000 0.423800 8.7216E+00 -3.0749E+00 -4.0025E+00 O6 958 15.999400 -0.847600 -8.9808E+00 -1.1259E+01 -1.6053E+00 H1 959 1.008000 0.423800 -8.1165E+00 -1.1697E+01 -1.3585E+00 H2 960 1.008000 0.423800 -9.5778E+00 -1.1926E+01 -2.0504E+00 O6 961 15.999400 -0.847600 1.3971E+01 -4.1732E+00 -1.1538E+00 H1 962 1.008000 0.423800 1.3178E+01 -3.5996E+00 -1.3600E+00 H2 963 1.008000 0.423800 1.3722E+01 -4.8472E+00 -4.5802E-01 O6 964 15.999400 -0.847600 1.0742E+01 2.7882E+00 1.2122E+01 H1 965 1.008000 0.423800 1.1000E+01 1.8716E+00 1.1817E+01 H2 966 1.008000 0.423800 1.0478E+01 2.7564E+00 1.3086E+01 O6 967 15.999400 -0.847600 -1.5939E+01 -7.3013E-01 6.9583E+00 H1 968 1.008000 0.423800 -1.5444E+01 -6.0041E-01 7.8170E+00 H2 969 1.008000 0.423800 -1.5477E+01 -1.4256E+00 6.4083E+00 O6 970 15.999400 -0.847600 1.3392E+01 2.6369E+00 3.1855E+00 H1 971 1.008000 0.423800 1.3808E+01 2.4693E+00 4.0792E+00 H2 972 1.008000 0.423800 1.3804E+01 2.0293E+00 2.5067E+00 O6 973 15.999400 -0.847600 6.7202E+00 -1.4673E+01 1.5685E+01 H1 974 1.008000 0.423800 7.4461E+00 -1.3993E+01 1.5583E+01 H2 975 1.008000 0.423800 6.3996E+00 -1.4679E+01 1.6633E+01 O6 976 15.999400 -0.847600 8.5755E+00 -9.3304E+00 -9.2656E-01 H1 977 1.008000 0.423800 7.7355E+00 -8.8339E+00 -7.0772E-01 H2 978 1.008000 0.423800 8.3974E+00 -1.0314E+01 -9.0112E-01 O6 979 15.999400 -0.847600 5.6004E+00 -1.1818E+01 1.5715E+01 H1 980 1.008000 0.423800 6.3148E+00 -1.1234E+01 1.5329E+01 H2 981 1.008000 0.423800 4.8598E+00 -1.1921E+01 1.5051E+01 O6 982 15.999400 -0.847600 -1.2986E+01 -6.1071E+00 -1.8595E+01 H1 983 1.008000 0.423800 -1.3076E+01 -5.9286E+00 1.9523E+01 H2 984 1.008000 0.423800 -1.3868E+01 -6.4039E+00 -1.8228E+01 O6 985 15.999400 -0.847600 -9.2176E-01 -1.2038E+01 3.0023E+00 H1 986 1.008000 0.423800 6.4205E-02 -1.1879E+01 3.0556E+00 H2 987 1.008000 0.423800 -1.3752E+00 -1.1209E+01 2.6749E+00 O6 988 15.999400 -0.847600 3.3705E+00 6.8203E+00 8.9205E+00 H1 989 1.008000 0.423800 3.7270E+00 7.7130E+00 8.6449E+00 H2 990 1.008000 0.423800 2.7934E+00 6.9274E+00 9.7301E+00 O6 991 15.999400 -0.847600 -1.2434E+01 -4.0185E+00 3.2648E+00 H1 992 1.008000 0.423800 -1.2176E+01 -4.0493E+00 4.2303E+00 H2 993 1.008000 0.423800 -1.1636E+01 -4.2272E+00 2.6993E+00 O6 994 15.999400 -0.847600 8.0000E+00 3.7526E+00 4.8176E+00 H1 995 1.008000 0.423800 7.3802E+00 4.3880E+00 5.2782E+00 H2 996 1.008000 0.423800 8.9362E+00 4.0992E+00 4.8760E+00 O6 997 15.999400 -0.847600 1.4438E+01 -4.8241E+00 4.4865E+00 H1 998 1.008000 0.423800 1.4873E+01 -4.4066E+00 5.2841E+00 H2 999 1.008000 0.423800 1.3477E+01 -4.5520E+00 4.4509E+00 O6 1000 15.999400 -0.847600 4.5019E+00 -7.5808E+00 1.7231E+01 H1 1001 1.008000 0.423800 3.5353E+00 -7.7054E+00 1.7007E+01 H2 1002 1.008000 0.423800 4.7257E+00 -8.1120E+00 1.8049E+01 O6 1003 15.999400 -0.847600 -5.3282E+00 1.8075E+01 2.3208E+00 H1 1004 1.008000 0.423800 -4.4525E+00 1.7784E+01 2.7069E+00 H2 1005 1.008000 0.423800 -5.2440E+00 1.9006E+01 1.9673E+00 O6 1006 15.999400 -0.847600 -3.1189E+00 -1.2218E+01 -1.3183E+01 H1 1007 1.008000 0.423800 -3.8105E+00 -1.2151E+01 -1.3903E+01 H2 1008 1.008000 0.423800 -2.2865E+00 -1.2626E+01 -1.3558E+01 O6 1009 15.999400 -0.847600 8.7555E+00 1.8561E+01 -1.6382E+01 H1 1010 1.008000 0.423800 8.5552E+00 1.9534E+01 -1.6274E+01 H2 1011 1.008000 0.423800 9.6853E+00 1.8375E+01 -1.6064E+01 O6 1012 15.999400 -0.847600 7.0796E+00 -1.5836E+00 7.6948E+00 H1 1013 1.008000 0.423800 6.5734E+00 -1.1114E+00 8.4165E+00 H2 1014 1.008000 0.423800 7.3081E+00 -9.3496E-01 6.9688E+00 O6 1015 15.999400 -0.847600 -1.3622E+01 5.7941E+00 -6.4598E+00 H1 1016 1.008000 0.423800 -1.3203E+01 6.0607E+00 -7.3275E+00 H2 1017 1.008000 0.423800 -1.3501E+01 4.8115E+00 -6.3191E+00 O6 1018 15.999400 -0.847600 -1.5765E+01 -2.2255E+00 -5.6773E-01 H1 1019 1.008000 0.423800 -1.5016E+01 -1.7728E+00 -1.0521E+00 H2 1020 1.008000 0.423800 -1.5416E+01 -2.6365E+00 2.7465E-01 O6 1021 15.999400 -0.847600 1.7062E+01 -1.2986E+01 1.8275E+01 H1 1022 1.008000 0.423800 1.7494E+01 -1.2142E+01 1.7957E+01 H2 1023 1.008000 0.423800 1.6170E+01 -1.2775E+01 1.8673E+01 O6 1024 15.999400 -0.847600 -1.2317E+01 5.8608E+00 -8.8016E+00 H1 1025 1.008000 0.423800 -1.1479E+01 6.1826E+00 -9.2435E+00 H2 1026 1.008000 0.423800 -1.2248E+01 4.8773E+00 -8.6343E+00 O6 1027 15.999400 -0.847600 1.6663E+01 -5.4697E-01 -1.5760E+01 H1 1028 1.008000 0.423800 1.5804E+01 -4.7893E-01 -1.5251E+01 H2 1029 1.008000 0.423800 1.7432E+01 -5.1902E-01 -1.5121E+01 O6 1030 15.999400 -0.847600 -8.4619E+00 -1.7027E+01 7.6494E+00 H1 1031 1.008000 0.423800 -9.3021E+00 -1.7539E+01 7.8253E+00 H2 1032 1.008000 0.423800 -7.7926E+00 -1.7625E+01 7.2085E+00 O6 1033 15.999400 -0.847600 -8.6759E+00 6.9505E+00 1.6028E+01 H1 1034 1.008000 0.423800 -9.0697E+00 7.8693E+00 1.6056E+01 H2 1035 1.008000 0.423800 -9.3917E+00 6.2756E+00 1.6208E+01 O6 1036 15.999400 -0.847600 7.2216E+00 2.6454E+00 -1.5535E+01 H1 1037 1.008000 0.423800 7.4520E+00 3.4507E+00 -1.6081E+01 H2 1038 1.008000 0.423800 6.4790E+00 2.8718E+00 -1.4904E+01 O6 1039 15.999400 -0.847600 -1.3953E+01 -1.3386E+01 -1.0359E+01 H1 1040 1.008000 0.423800 -1.3920E+01 -1.3555E+01 -9.3741E+00 H2 1041 1.008000 0.423800 -1.4319E+01 -1.4192E+01 -1.0824E+01 O6 1042 15.999400 -0.847600 3.6144E+00 6.2800E+00 -7.3530E+00 H1 1043 1.008000 0.423800 2.8890E+00 5.7066E+00 -7.7337E+00 H2 1044 1.008000 0.423800 3.3885E+00 7.2433E+00 -7.4979E+00 O6 1045 15.999400 -0.847600 1.4622E-01 4.8072E+00 -1.0911E+01 H1 1046 1.008000 0.423800 7.8484E-01 5.1385E+00 -1.0216E+01 H2 1047 1.008000 0.423800 -6.7582E-01 4.4523E+00 -1.0466E+01 O6 1048 15.999400 -0.847600 -1.0078E+01 -1.1759E+01 -8.5056E+00 H1 1049 1.008000 0.423800 -9.1667E+00 -1.1446E+01 -8.7729E+00 H2 1050 1.008000 0.423800 -1.0058E+01 -1.2746E+01 -8.3462E+00 O6 1051 15.999400 -0.847600 1.5454E+01 -2.0131E+00 -1.1810E+01 H1 1052 1.008000 0.423800 1.4504E+01 -1.7745E+00 -1.1611E+01 H2 1053 1.008000 0.423800 1.5922E+01 -1.2204E+00 -1.2202E+01 O6 1054 15.999400 -0.847600 -4.5179E+00 1.3332E+01 1.3298E+01 H1 1055 1.008000 0.423800 -3.6354E+00 1.3146E+01 1.3730E+01 H2 1056 1.008000 0.423800 -4.9029E+00 1.4174E+01 1.3676E+01 O6 1057 15.999400 -0.847600 7.1719E+00 -1.1082E+01 -1.8824E+01 H1 1058 1.008000 0.423800 7.8550E+00 -1.0405E+01 -1.9099E+01 H2 1059 1.008000 0.423800 7.3343E+00 -1.1354E+01 -1.7876E+01 O6 1060 15.999400 -0.847600 -6.1450E+00 4.1439E+00 1.4438E+01 H1 1061 1.008000 0.423800 -6.9312E+00 4.3409E+00 1.3852E+01 H2 1062 1.008000 0.423800 -5.6612E+00 4.9945E+00 1.4643E+01 O6 1063 15.999400 -0.847600 -1.3648E+01 -8.9009E+00 -5.7888E+00 H1 1064 1.008000 0.423800 -1.3046E+01 -8.4390E+00 -6.4399E+00 H2 1065 1.008000 0.423800 -1.4510E+01 -9.1344E+00 -6.2395E+00 O6 1066 15.999400 -0.847600 -1.2157E+01 1.9525E+01 -9.4289E+00 H1 1067 1.008000 0.423800 -1.2794E+01 -1.8980E+01 -8.9356E+00 H2 1068 1.008000 0.423800 -1.2234E+01 1.8590E+01 -9.0813E+00 O6 1069 15.999400 -0.847600 -1.2669E+01 9.5029E+00 -1.9048E+01 H1 1070 1.008000 0.423800 -1.3500E+01 9.4443E+00 1.9496E+01 H2 1071 1.008000 0.423800 -1.2300E+01 8.5849E+00 -1.8903E+01 O6 1072 15.999400 -0.847600 1.8474E+01 5.6015E+00 -5.1404E+00 H1 1073 1.008000 0.423800 1.8676E+01 4.7122E+00 -4.7304E+00 H2 1074 1.008000 0.423800 1.8062E+01 5.4669E+00 -6.0415E+00 O6 1075 15.999400 -0.847600 -7.2005E+00 3.7607E+00 1.9443E+01 H1 1076 1.008000 0.423800 -8.1627E+00 3.6394E+00 -1.9411E+01 H2 1077 1.008000 0.423800 -6.7854E+00 4.4374E+00 -1.9046E+01 O6 1078 15.999400 -0.847600 -9.1807E+00 -1.1620E+01 -1.5572E+01 H1 1079 1.008000 0.423800 -9.4479E+00 -1.2577E+01 -1.5684E+01 H2 1080 1.008000 0.423800 -9.9906E+00 -1.1069E+01 -1.5369E+01 O6 1081 15.999400 -0.847600 1.9117E+01 2.8930E+00 1.2665E+01 H1 1082 1.008000 0.423800 -1.9095E+01 3.0404E+00 1.3105E+01 H2 1083 1.008000 0.423800 1.8386E+01 3.1954E+00 1.3277E+01 O6 1084 15.999400 -0.847600 1.7921E+01 -9.5178E+00 7.4721E+00 H1 1085 1.008000 0.423800 1.8723E+01 -9.8905E+00 7.0049E+00 H2 1086 1.008000 0.423800 1.7945E+01 -8.5189E+00 7.4304E+00 O6 1087 15.999400 -0.847600 1.6615E-01 -1.7356E+01 -1.9432E+01 H1 1088 1.008000 0.423800 5.4441E-01 -1.6430E+01 -1.9427E+01 H2 1089 1.008000 0.423800 4.5700E-01 -1.7840E+01 -1.8607E+01 O6 1090 15.999400 -0.847600 -1.1988E-02 3.6803E-01 9.4921E-01 H1 1091 1.008000 0.423800 -7.2346E-01 3.7661E-02 1.5695E+00 H2 1092 1.008000 0.423800 4.6295E-01 -4.1176E-01 5.4136E-01 O6 1093 15.999400 -0.847600 4.0062E-01 1.7042E+01 1.6234E+01 H1 1094 1.008000 0.423800 -3.9854E-01 1.7203E+01 1.5655E+01 H2 1095 1.008000 0.423800 6.3541E-01 1.6071E+01 1.6216E+01 O6 1096 15.999400 -0.847600 1.6316E+00 -1.4335E+01 1.1764E+01 H1 1097 1.008000 0.423800 1.1783E+00 -1.4304E+01 1.2655E+01 H2 1098 1.008000 0.423800 1.0369E+00 -1.3925E+01 1.1073E+01 O6 1099 15.999400 -0.847600 1.8168E+01 2.0167E+00 2.2214E+00 H1 1100 1.008000 0.423800 1.7850E+01 1.6356E+00 1.3533E+00 H2 1101 1.008000 0.423800 1.8081E+01 1.3267E+00 2.9400E+00 O6 1102 15.999400 -0.847600 1.1753E+01 -1.2968E+01 -1.5853E+01 H1 1103 1.008000 0.423800 1.1938E+01 -1.2023E+01 -1.6122E+01 H2 1104 1.008000 0.423800 1.1233E+01 -1.3424E+01 -1.6575E+01 O6 1105 15.999400 -0.847600 1.1686E+01 1.9556E-01 -1.5023E+01 H1 1106 1.008000 0.423800 1.1423E+01 1.0285E+00 -1.5510E+01 H2 1107 1.008000 0.423800 1.2282E+01 -3.5695E-01 -1.5606E+01 O6 1108 15.999400 -0.847600 -1.5168E+00 1.6613E+01 -7.4004E+00 H1 1109 1.008000 0.423800 -1.8964E+00 1.6790E+01 -8.3084E+00 H2 1110 1.008000 0.423800 -2.1771E+00 1.6892E+01 -6.7030E+00 O6 1111 15.999400 -0.847600 6.6677E+00 -1.8728E+01 6.8238E+00 H1 1112 1.008000 0.423800 7.5763E+00 -1.8866E+01 6.4293E+00 H2 1113 1.008000 0.423800 6.7194E+00 -1.8041E+01 7.5483E+00 O6 1114 15.999400 -0.847600 -6.6854E+00 9.4500E+00 -5.2977E+00 H1 1115 1.008000 0.423800 -6.9622E+00 1.0276E+01 -5.7880E+00 H2 1116 1.008000 0.423800 -7.1578E+00 9.4109E+00 -4.4172E+00 O6 1117 15.999400 -0.847600 7.3196E+00 7.0882E+00 -1.6588E+01 H1 1118 1.008000 0.423800 7.2088E+00 8.0119E+00 -1.6955E+01 H2 1119 1.008000 0.423800 7.4281E+00 7.1348E+00 -1.5595E+01 O6 1120 15.999400 -0.847600 -1.3266E+01 1.6018E+01 -1.9386E+01 H1 1121 1.008000 0.423800 -1.3051E+01 1.5188E+01 -1.8871E+01 H2 1122 1.008000 0.423800 -1.2525E+01 1.6214E+01 1.9071E+01 O6 1123 15.999400 -0.847600 -9.6955E+00 2.9262E+00 -1.8756E+01 H1 1124 1.008000 0.423800 -1.0687E+01 2.8348E+00 -1.8664E+01 H2 1125 1.008000 0.423800 -9.2641E+00 2.0351E+00 -1.8615E+01 O6 1126 15.999400 -0.847600 1.5380E+01 3.4920E+00 1.7702E+01 H1 1127 1.008000 0.423800 1.5565E+01 4.1741E+00 1.8409E+01 H2 1128 1.008000 0.423800 1.5858E+01 3.7458E+00 1.6861E+01 O6 1129 15.999400 -0.847600 -1.7666E+01 3.9303E+00 -6.0453E+00 H1 1130 1.008000 0.423800 -1.8545E+01 3.5795E+00 -5.7223E+00 H2 1131 1.008000 0.423800 -1.7078E+01 4.1297E+00 -5.2613E+00 O6 1132 15.999400 -0.847600 2.6667E+00 1.8789E+01 5.1060E-01 H1 1133 1.008000 0.423800 3.2089E+00 -1.9476E+01 6.2582E-01 H2 1134 1.008000 0.423800 2.3889E+00 1.8702E+01 -4.4609E-01 O6 1135 15.999400 -0.847600 5.8036E+00 8.6438E+00 1.6580E+01 H1 1136 1.008000 0.423800 5.0682E+00 9.2807E+00 1.6349E+01 H2 1137 1.008000 0.423800 5.4725E+00 7.9829E+00 1.7253E+01 O6 1138 15.999400 -0.847600 1.7177E+01 1.8384E+01 -1.7371E+01 H1 1139 1.008000 0.423800 1.7785E+01 1.9170E+01 -1.7485E+01 H2 1140 1.008000 0.423800 1.7182E+01 1.7836E+01 -1.8207E+01 O6 1141 15.999400 -0.847600 1.6939E+01 -1.6040E+01 1.8284E+01 H1 1142 1.008000 0.423800 1.6576E+01 -1.5637E+01 1.7444E+01 H2 1143 1.008000 0.423800 1.7924E+01 -1.6181E+01 1.8187E+01 O6 1144 15.999400 -0.847600 -1.0520E+01 1.6844E+01 -1.9919E+00 H1 1145 1.008000 0.423800 -1.1024E+01 1.6338E+01 -2.6916E+00 H2 1146 1.008000 0.423800 -1.1025E+01 1.6813E+01 -1.1292E+00 O6 1147 15.999400 -0.847600 1.6426E+01 6.1244E+00 -6.9652E+00 H1 1148 1.008000 0.423800 1.5967E+01 7.0024E+00 -6.8316E+00 H2 1149 1.008000 0.423800 1.6045E+01 5.6677E+00 -7.7690E+00 O6 1150 15.999400 -0.847600 4.1044E-02 -1.3118E+01 1.4112E+01 H1 1151 1.008000 0.423800 1.3167E-01 -1.3921E+01 1.4700E+01 H2 1152 1.008000 0.423800 7.4244E-01 -1.2447E+01 1.4353E+01 O6 1153 15.999400 -0.847600 -8.3554E+00 -1.5208E+01 3.2783E+00 H1 1154 1.008000 0.423800 -9.0251E+00 -1.4551E+01 3.6240E+00 H2 1155 1.008000 0.423800 -8.3996E+00 -1.5235E+01 2.2797E+00 O6 1156 15.999400 -0.847600 5.1932E+00 1.0831E+01 5.7466E+00 H1 1157 1.008000 0.423800 5.3629E+00 1.0436E+01 4.8434E+00 H2 1158 1.008000 0.423800 5.5312E+00 1.1772E+01 5.7683E+00 O6 1159 15.999400 -0.847600 4.4259E+00 1.7369E+01 -1.2827E+01 H1 1160 1.008000 0.423800 4.0787E+00 1.6976E+01 -1.3678E+01 H2 1161 1.008000 0.423800 4.8816E+00 1.8237E+01 -1.3022E+01 O6 1162 15.999400 -0.847600 1.9466E+01 1.7555E+01 -5.3042E+00 H1 1163 1.008000 0.423800 1.8990E+01 1.7038E+01 -6.0159E+00 H2 1164 1.008000 0.423800 1.9410E+01 1.8532E+01 -5.5090E+00 O6 1165 15.999400 -0.847600 1.3155E+01 -1.1309E+01 -6.2290E+00 H1 1166 1.008000 0.423800 1.3319E+01 -1.0790E+01 -5.3902E+00 H2 1167 1.008000 0.423800 1.2363E+01 -1.0928E+01 -6.7072E+00 O6 1168 15.999400 -0.847600 -2.8888E-01 1.8045E+01 1.1689E+01 H1 1169 1.008000 0.423800 -1.2523E+00 1.8262E+01 1.1847E+01 H2 1170 1.008000 0.423800 2.4599E-01 1.8299E+01 1.2495E+01 O6 1171 15.999400 -0.847600 -1.5880E+01 1.7360E+01 8.3365E+00 H1 1172 1.008000 0.423800 -1.5065E+01 1.7052E+01 8.8259E+00 H2 1173 1.008000 0.423800 -1.6517E+01 1.6595E+01 8.2343E+00 O6 1174 15.999400 -0.847600 1.0926E+01 -2.2964E+00 1.2214E+01 H1 1175 1.008000 0.423800 1.0010E+01 -2.4239E+00 1.1836E+01 H2 1176 1.008000 0.423800 1.0973E+01 -2.7131E+00 1.3122E+01 O6 1177 15.999400 -0.847600 1.3070E+01 -2.8262E+00 1.0474E+01 H1 1178 1.008000 0.423800 1.2769E+01 -3.3149E+00 9.6551E+00 H2 1179 1.008000 0.423800 1.2496E+01 -3.0911E+00 1.1250E+01 O6 1180 15.999400 -0.847600 5.3122E+00 -2.3127E+00 -6.9044E+00 H1 1181 1.008000 0.423800 4.6598E+00 -1.7326E+00 -6.4166E+00 H2 1182 1.008000 0.423800 5.8425E+00 -2.8453E+00 -6.2448E+00 O6 1183 15.999400 -0.847600 -8.0839E+00 -5.3598E+00 7.3426E+00 H1 1184 1.008000 0.423800 -7.2910E+00 -4.9485E+00 6.8929E+00 H2 1185 1.008000 0.423800 -8.1940E+00 -6.3024E+00 7.0275E+00 O6 1186 15.999400 -0.847600 5.8161E+00 -4.1744E-01 -3.1851E+00 H1 1187 1.008000 0.423800 4.9593E+00 -1.6696E-01 -3.6358E+00 H2 1188 1.008000 0.423800 6.4478E+00 3.5721E-01 -3.2159E+00 O6 1189 15.999400 -0.847600 6.7383E+00 -7.2961E+00 -7.7856E+00 H1 1190 1.008000 0.423800 6.5328E+00 -6.6285E+00 -8.5012E+00 H2 1191 1.008000 0.423800 7.3008E+00 -6.8656E+00 -7.0798E+00 O6 1192 15.999400 -0.847600 -1.7485E+00 7.2557E+00 -4.6249E+00 H1 1193 1.008000 0.423800 -9.2453E-01 6.6904E+00 -4.5851E+00 H2 1194 1.008000 0.423800 -2.2244E+00 7.0908E+00 -5.4888E+00 O6 1195 15.999400 -0.847600 -1.5842E+01 2.3391E+00 -1.6150E+01 H1 1196 1.008000 0.423800 -1.5214E+01 2.5782E+00 -1.5409E+01 H2 1197 1.008000 0.423800 -1.5318E+01 2.1287E+00 -1.6976E+01 O6 1198 15.999400 -0.847600 3.4189E+00 -7.6300E+00 -8.9735E+00 H1 1199 1.008000 0.423800 3.7853E+00 -8.5486E+00 -9.1219E+00 H2 1200 1.008000 0.423800 3.8999E+00 -6.9803E+00 -9.5622E+00 O6 1201 15.999400 -0.847600 1.7646E+01 1.2966E+01 3.7821E-01 H1 1202 1.008000 0.423800 1.7094E+01 1.3139E+01 -4.3718E-01 H2 1203 1.008000 0.423800 1.8216E+01 1.2158E+01 2.2891E-01 O6 1204 15.999400 -0.847600 -8.5485E+00 7.7430E+00 3.1666E+00 H1 1205 1.008000 0.423800 -9.1590E+00 7.2729E+00 2.5291E+00 H2 1206 1.008000 0.423800 -8.9325E+00 7.6999E+00 4.0889E+00 O6 1207 15.999400 -0.847600 -1.4371E+01 -3.2129E+00 1.8032E+00 H1 1208 1.008000 0.423800 -1.5200E+01 -3.4921E+00 2.2878E+00 H2 1209 1.008000 0.423800 -1.3568E+01 -3.4811E+00 2.3351E+00 O6 1210 15.999400 -0.847600 -1.2567E+01 7.0021E+00 1.2171E+01 H1 1211 1.008000 0.423800 -1.2421E+01 6.1313E+00 1.1701E+01 H2 1212 1.008000 0.423800 -1.2519E+01 7.7499E+00 1.1509E+01 O6 1213 15.999400 -0.847600 1.6416E+01 5.4147E+00 -1.6073E+01 H1 1214 1.008000 0.423800 1.5894E+01 6.0547E+00 -1.6637E+01 H2 1215 1.008000 0.423800 1.6385E+01 5.7100E+00 -1.5118E+01 O6 1216 15.999400 -0.847600 1.4982E+01 1.2587E+01 -1.0353E+00 H1 1217 1.008000 0.423800 1.4733E+01 1.2762E+01 -8.2714E-02 H2 1218 1.008000 0.423800 1.4612E+01 1.3313E+01 -1.6149E+00 O6 1219 15.999400 -0.847600 1.7285E+01 -1.6560E+01 -1.7711E+01 H1 1220 1.008000 0.423800 1.6877E+01 -1.5997E+01 -1.8430E+01 H2 1221 1.008000 0.423800 1.6618E+01 -1.6701E+01 -1.6979E+01 O6 1222 15.999400 -0.847600 4.1114E+00 2.5449E+00 -9.4750E-01 H1 1223 1.008000 0.423800 4.2824E+00 2.9719E+00 -1.8354E+00 H2 1224 1.008000 0.423800 4.6297E+00 3.0265E+00 -2.4078E-01 O6 1225 15.999400 -0.847600 -1.1903E+01 1.1682E+01 1.1943E+01 H1 1226 1.008000 0.423800 -1.2569E+01 1.1373E+01 1.2622E+01 H2 1227 1.008000 0.423800 -1.1000E+01 1.1322E+01 1.2175E+01 O6 1228 15.999400 -0.847600 1.3020E+00 -9.5087E+00 -1.2903E+01 H1 1229 1.008000 0.423800 1.0722E+00 -1.0024E+01 -1.2077E+01 H2 1230 1.008000 0.423800 1.4873E+00 -8.5563E+00 -1.2661E+01 O6 1231 15.999400 -0.847600 -8.8699E-01 -1.2603E+01 -6.0211E+00 H1 1232 1.008000 0.423800 -5.8544E-01 -1.2030E+01 -5.2591E+00 H2 1233 1.008000 0.423800 -7.2100E-01 -1.2125E+01 -6.8836E+00 O6 1234 15.999400 -0.847600 -1.7575E+00 1.2493E+01 -1.0407E+01 H1 1235 1.008000 0.423800 -1.7235E+00 1.3440E+01 -1.0729E+01 H2 1236 1.008000 0.423800 -2.6086E+00 1.2343E+01 -9.9037E+00 O6 1237 15.999400 -0.847600 -1.1335E+01 1.6171E+01 1.8062E+01 H1 1238 1.008000 0.423800 -1.1220E+01 1.7100E+01 1.7709E+01 H2 1239 1.008000 0.423800 -1.0439E+01 1.5739E+01 1.8161E+01 O6 1240 15.999400 -0.847600 -1.6700E+01 -9.7823E+00 6.5484E-01 H1 1241 1.008000 0.423800 -1.6461E+01 -1.0604E+01 1.3653E-01 H2 1242 1.008000 0.423800 -1.5973E+01 -9.1026E+00 5.5514E-01 O6 1243 15.999400 -0.847600 1.4442E+01 1.2645E+01 1.5646E+00 H1 1244 1.008000 0.423800 1.5433E+01 1.2720E+01 1.6765E+00 H2 1245 1.008000 0.423800 1.4048E+01 1.2205E+01 2.3717E+00 O6 1246 15.999400 -0.847600 1.0700E+01 1.1579E+01 1.7263E+01 H1 1247 1.008000 0.423800 9.8441E+00 1.1328E+01 1.6811E+01 H2 1248 1.008000 0.423800 1.0752E+01 1.1127E+01 1.8153E+01 O6 1249 15.999400 -0.847600 -1.2962E+00 -9.0407E+00 8.9058E+00 H1 1250 1.008000 0.423800 -2.2170E+00 -9.3866E+00 8.7257E+00 H2 1251 1.008000 0.423800 -6.5804E-01 -9.8081E+00 8.9677E+00 O6 1252 15.999400 -0.847600 -8.4370E+00 -1.8568E+01 -1.1596E+01 H1 1253 1.008000 0.423800 -7.4679E+00 -1.8361E+01 -1.1730E+01 H2 1254 1.008000 0.423800 -8.8539E+00 -1.8796E+01 -1.2476E+01 O6 1255 15.999400 -0.847600 -1.1368E+01 2.8763E+00 1.7338E+00 H1 1256 1.008000 0.423800 -1.1552E+01 2.9587E+00 2.7133E+00 H2 1257 1.008000 0.423800 -1.2216E+01 3.0137E+00 1.2229E+00 O6 1258 15.999400 -0.847600 -4.5213E+00 -1.5213E+01 -1.6565E+00 H1 1259 1.008000 0.423800 -5.4105E+00 -1.5180E+01 -1.2001E+00 H2 1260 1.008000 0.423800 -3.9334E+00 -1.5876E+01 -1.1938E+00 O6 1261 15.999400 -0.847600 -1.6112E+01 1.1645E+01 1.8209E+01 H1 1262 1.008000 0.423800 -1.6061E+01 1.2452E+01 1.8798E+01 H2 1263 1.008000 0.423800 -1.7057E+01 1.1321E+01 1.8168E+01 O6 1264 15.999400 -0.847600 1.6100E+01 3.3355E+00 -6.5220E+00 H1 1265 1.008000 0.423800 1.5457E+01 4.0490E+00 -6.2441E+00 H2 1266 1.008000 0.423800 1.6180E+01 3.3290E+00 -7.5187E+00 O6 1267 15.999400 -0.847600 -1.5258E+01 1.3597E+01 1.2686E+01 H1 1268 1.008000 0.423800 -1.5307E+01 1.3639E+01 1.3684E+01 H2 1269 1.008000 0.423800 -1.5914E+01 1.4241E+01 1.2293E+01 O6 1270 15.999400 -0.847600 -9.2322E+00 -1.9370E+01 -1.7760E+01 H1 1271 1.008000 0.423800 -9.8095E+00 1.9109E+01 -1.7227E+01 H2 1272 1.008000 0.423800 -8.5333E+00 -1.8972E+01 -1.7165E+01 O6 1273 15.999400 -0.847600 -1.2246E+01 1.2135E+01 1.6360E+01 H1 1274 1.008000 0.423800 -1.3229E+01 1.1955E+01 1.6395E+01 H2 1275 1.008000 0.423800 -1.2092E+01 1.3114E+01 1.6221E+01 O6 1276 15.999400 -0.847600 1.2906E+01 5.1811E+00 -1.7660E+01 H1 1277 1.008000 0.423800 1.2141E+01 4.9706E+00 -1.8269E+01 H2 1278 1.008000 0.423800 1.3562E+01 4.4267E+00 -1.7677E+01 O6 1279 15.999400 -0.847600 -1.3858E+01 1.8774E+01 -5.5891E+00 H1 1280 1.008000 0.423800 -1.3511E+01 1.7969E+01 -5.1086E+00 H2 1281 1.008000 0.423800 -1.3544E+01 1.8757E+01 -6.5384E+00 O6 1282 15.999400 -0.847600 -1.2859E+01 -1.2542E+01 -1.2675E+01 H1 1283 1.008000 0.423800 -1.3352E+01 -1.2929E+01 -1.1896E+01 H2 1284 1.008000 0.423800 -1.2041E+01 -1.3088E+01 -1.2857E+01 O6 1285 15.999400 -0.847600 -1.7676E+01 -5.4800E+00 -5.3786E+00 H1 1286 1.008000 0.423800 -1.6799E+01 -5.8373E+00 -5.7007E+00 H2 1287 1.008000 0.423800 -1.7519E+01 -4.8421E+00 -4.6247E+00 O6 1288 15.999400 -0.847600 -1.2194E+01 -1.4135E+00 -3.7647E+00 H1 1289 1.008000 0.423800 -1.1779E+01 -8.7592E-01 -4.4984E+00 H2 1290 1.008000 0.423800 -1.2570E+01 -2.2592E+00 -4.1431E+00 O6 1291 15.999400 -0.847600 2.7767E+00 1.9400E+01 -8.5122E+00 H1 1292 1.008000 0.423800 2.9203E+00 1.8981E+01 -9.4085E+00 H2 1293 1.008000 0.423800 3.5748E+00 -1.9145E+01 -8.2710E+00 O6 1294 15.999400 -0.847600 7.0826E+00 1.6415E+01 -1.9129E+01 H1 1295 1.008000 0.423800 6.6677E+00 1.5962E+01 -1.8340E+01 H2 1296 1.008000 0.423800 7.2074E+00 1.5752E+01 1.9231E+01 O6 1297 15.999400 -0.847600 -6.7299E+00 1.6377E+01 4.3950E+00 H1 1298 1.008000 0.423800 -6.8992E+00 1.6916E+01 3.5698E+00 H2 1299 1.008000 0.423800 -5.8708E+00 1.6670E+01 4.8142E+00 O6 1300 15.999400 -0.847600 -3.0888E+00 -8.1785E+00 -1.0032E+01 H1 1301 1.008000 0.423800 -2.6798E+00 -8.9477E+00 -1.0523E+01 H2 1302 1.008000 0.423800 -3.7714E+00 -8.5205E+00 -9.3859E+00 O6 1303 15.999400 -0.847600 -9.3834E-01 -6.9579E+00 4.2975E+00 H1 1304 1.008000 0.423800 -1.8805E-01 -6.3690E+00 4.5981E+00 H2 1305 1.008000 0.423800 -1.5043E+00 -7.2043E+00 5.0842E+00 O6 1306 15.999400 -0.847600 1.9093E+01 -2.3731E+00 -1.6891E+01 H1 1307 1.008000 0.423800 1.9404E+01 -3.0304E+00 -1.7578E+01 H2 1308 1.008000 0.423800 1.8135E+01 -2.5531E+00 -1.6667E+01 O6 1309 15.999400 -0.847600 6.5295E+00 1.7033E+01 -1.6253E+01 H1 1310 1.008000 0.423800 6.6422E+00 1.6830E+01 -1.5281E+01 H2 1311 1.008000 0.423800 7.3268E+00 1.7539E+01 -1.6583E+01 O6 1312 15.999400 -0.847600 1.2125E+00 -9.3131E+00 1.4799E+01 H1 1313 1.008000 0.423800 1.4772E+00 -8.6365E+00 1.5486E+01 H2 1314 1.008000 0.423800 3.2180E-01 -9.0682E+00 1.4416E+01 O6 1315 15.999400 -0.847600 1.4222E+01 -6.8328E+00 1.5206E+01 H1 1316 1.008000 0.423800 1.3285E+01 -6.6481E+00 1.4912E+01 H2 1317 1.008000 0.423800 1.4700E+01 -7.3470E+00 1.4494E+01 O6 1318 15.999400 -0.847600 -1.0656E+01 1.5806E+01 9.9506E+00 H1 1319 1.008000 0.423800 -1.0790E+01 1.5456E+01 1.0878E+01 H2 1320 1.008000 0.423800 -1.0752E+01 1.5057E+01 9.2949E+00 O6 1321 15.999400 -0.847600 -1.5384E+00 -8.2576E+00 1.3481E+01 H1 1322 1.008000 0.423800 -2.1740E+00 -7.9401E+00 1.4185E+01 H2 1323 1.008000 0.423800 -1.5897E+00 -9.2538E+00 1.3411E+01 O6 1324 15.999400 -0.847600 -3.4566E+00 1.3444E+01 -1.1493E+00 H1 1325 1.008000 0.423800 -3.1543E+00 1.3959E+01 -1.9514E+00 H2 1326 1.008000 0.423800 -4.4216E+00 1.3638E+01 -9.7302E-01 O6 1327 15.999400 -0.847600 -6.7348E+00 -8.9949E+00 1.7471E+01 H1 1328 1.008000 0.423800 -7.6067E+00 -8.7965E+00 1.7919E+01 H2 1329 1.008000 0.423800 -6.7050E+00 -8.5378E+00 1.6582E+01 O6 1330 15.999400 -0.847600 1.4755E+01 -1.3513E+01 8.3369E+00 H1 1331 1.008000 0.423800 1.4335E+01 -1.4406E+01 8.4983E+00 H2 1332 1.008000 0.423800 1.5341E+01 -1.3275E+01 9.1111E+00 O6 1333 15.999400 -0.847600 -3.8242E+00 -1.8892E+01 -6.0323E+00 H1 1334 1.008000 0.423800 -3.5607E+00 -1.8364E+01 -5.2254E+00 H2 1335 1.008000 0.423800 -3.9076E+00 -1.8281E+01 -6.8189E+00 O6 1336 15.999400 -0.847600 -1.1589E+01 -1.5841E+01 -8.2409E+00 H1 1337 1.008000 0.423800 -1.1279E+01 -1.6636E+01 -8.7631E+00 H2 1338 1.008000 0.423800 -1.1098E+01 -1.5802E+01 -7.3707E+00 O6 1339 15.999400 -0.847600 -1.8199E+01 9.9646E+00 8.8765E+00 H1 1340 1.008000 0.423800 -1.7536E+01 1.0701E+01 8.7429E+00 H2 1341 1.008000 0.423800 -1.7719E+01 9.0891E+00 8.9271E+00 O6 1342 15.999400 -0.847600 -4.1915E+00 1.2752E+01 -1.5120E+01 H1 1343 1.008000 0.423800 -4.5274E+00 1.3547E+01 -1.4615E+01 H2 1344 1.008000 0.423800 -3.3111E+00 1.2465E+01 -1.4743E+01 O6 1345 15.999400 -0.847600 -1.8309E+01 -1.7892E+01 2.9360E+00 H1 1346 1.008000 0.423800 -1.8582E+01 -1.7178E+01 2.2911E+00 H2 1347 1.008000 0.423800 -1.9026E+01 -1.8013E+01 3.6223E+00 O6 1348 15.999400 -0.847600 1.4721E+01 -1.2298E+01 1.9066E+01 H1 1349 1.008000 0.423800 1.4753E+01 -1.2664E+01 -1.9102E+01 H2 1350 1.008000 0.423800 1.4049E+01 -1.2808E+01 1.8529E+01 O6 1351 15.999400 -0.847600 7.2791E+00 7.1160E+00 -1.3704E+01 H1 1352 1.008000 0.423800 7.1024E+00 7.8053E+00 -1.3001E+01 H2 1353 1.008000 0.423800 7.1150E+00 6.2050E+00 -1.3326E+01 O6 1354 15.999400 -0.847600 -2.6383E+00 -3.6633E+00 7.9611E+00 H1 1355 1.008000 0.423800 -2.1133E+00 -3.3572E+00 7.1669E+00 H2 1356 1.008000 0.423800 -2.0121E+00 -3.8948E+00 8.7055E+00 O6 1357 15.999400 -0.847600 6.5270E+00 3.2038E+00 1.9246E+01 H1 1358 1.008000 0.423800 6.4662E+00 2.7016E+00 1.8383E+01 H2 1359 1.008000 0.423800 5.6756E+00 3.0907E+00 -1.9340E+01 O6 1360 15.999400 -0.847600 -1.3446E+01 5.1602E+00 -1.2192E+01 H1 1361 1.008000 0.423800 -1.2562E+01 5.6236E+00 -1.2251E+01 H2 1362 1.008000 0.423800 -1.3493E+01 4.6385E+00 -1.1340E+01 O6 1363 15.999400 -0.847600 -6.2601E+00 -3.6789E+00 5.9513E+00 H1 1364 1.008000 0.423800 -5.7570E+00 -4.1487E+00 5.2258E+00 H2 1365 1.008000 0.423800 -5.6706E+00 -2.9902E+00 6.3734E+00 O6 1366 15.999400 -0.847600 4.6245E+00 1.9002E+01 1.2642E+01 H1 1367 1.008000 0.423800 4.4830E+00 1.9153E+01 1.1664E+01 H2 1368 1.008000 0.423800 4.0676E+00 -1.9450E+01 1.3164E+01 O6 1369 15.999400 -0.847600 -6.5647E+00 -6.8495E-01 -1.9574E+00 H1 1370 1.008000 0.423800 -5.6519E+00 -6.6862E-01 -1.5493E+00 H2 1371 1.008000 0.423800 -7.0487E+00 1.5883E-01 -1.7255E+00 O6 1372 15.999400 -0.847600 3.8849E+00 -1.3714E+01 1.3862E+00 H1 1373 1.008000 0.423800 3.5335E+00 -1.4650E+01 1.3565E+00 H2 1374 1.008000 0.423800 4.1148E+00 -1.3474E+01 2.3294E+00 O6 1375 15.999400 -0.847600 -1.6372E+01 1.8534E+01 1.0719E+01 H1 1376 1.008000 0.423800 -1.6258E+01 1.8139E+01 9.8074E+00 H2 1377 1.008000 0.423800 -1.6868E+01 1.9399E+01 1.0648E+01 O6 1378 15.999400 -0.847600 1.5445E+01 -3.4890E+00 1.9045E+01 H1 1379 1.008000 0.423800 1.5415E+01 -3.5694E+00 -1.9056E+01 H2 1380 1.008000 0.423800 1.4878E+01 -2.7181E+00 1.8755E+01 O6 1381 15.999400 -0.847600 1.9303E+01 3.8713E+00 -7.4969E-01 H1 1382 1.008000 0.423800 -1.8804E+01 3.9993E+00 -7.0114E-01 H2 1383 1.008000 0.423800 1.9045E+01 3.6172E+00 -1.6818E+00 O6 1384 15.999400 -0.847600 -1.8563E+01 1.3870E+01 6.2184E+00 H1 1385 1.008000 0.423800 -1.9470E+01 1.3547E+01 5.9486E+00 H2 1386 1.008000 0.423800 -1.8465E+01 1.4834E+01 5.9733E+00 O6 1387 15.999400 -0.847600 -1.9546E+01 -1.2963E+01 -1.2389E+01 H1 1388 1.008000 0.423800 1.8734E+01 -1.2412E+01 -1.2221E+01 H2 1389 1.008000 0.423800 1.9535E+01 -1.3307E+01 -1.3327E+01 O6 1390 15.999400 -0.847600 -1.2684E+01 1.7301E+01 -7.7912E+00 H1 1391 1.008000 0.423800 -1.3356E+01 1.6865E+01 -7.1929E+00 H2 1392 1.008000 0.423800 -1.1778E+01 1.7244E+01 -7.3719E+00 O6 1393 15.999400 -0.847600 1.3251E+01 6.1808E+00 -1.1763E+01 H1 1394 1.008000 0.423800 1.3787E+01 6.6105E+00 -1.2490E+01 H2 1395 1.008000 0.423800 1.2280E+01 6.3682E+00 -1.1910E+01 O6 1396 15.999400 -0.847600 -7.5163E+00 1.6690E+01 1.3887E+00 H1 1397 1.008000 0.423800 -6.5935E+00 1.7022E+01 1.5833E+00 H2 1398 1.008000 0.423800 -7.4998E+00 1.5694E+01 1.2989E+00 O6 1399 15.999400 -0.847600 -3.4128E-01 1.7515E+01 -3.9611E+00 H1 1400 1.008000 0.423800 -3.8103E-01 1.6529E+01 -4.1204E+00 H2 1401 1.008000 0.423800 -1.2612E+00 1.7860E+01 -3.7747E+00 O6 1402 15.999400 -0.847600 2.6708E+00 -6.7031E+00 4.3275E+00 H1 1403 1.008000 0.423800 2.5519E+00 -5.8755E+00 3.7789E+00 H2 1404 1.008000 0.423800 2.7581E+00 -6.4539E+00 5.2920E+00 O6 1405 15.999400 -0.847600 8.2247E+00 5.8110E+00 -9.0788E+00 H1 1406 1.008000 0.423800 8.9542E+00 6.4877E+00 -8.9793E+00 H2 1407 1.008000 0.423800 7.3422E+00 6.2425E+00 -8.8920E+00 O6 1408 15.999400 -0.847600 -7.0862E+00 1.3814E+01 5.1950E+00 H1 1409 1.008000 0.423800 -6.9104E+00 1.4750E+01 4.8894E+00 H2 1410 1.008000 0.423800 -6.7481E+00 1.3170E+01 4.5085E+00 O6 1411 15.999400 -0.847600 -9.5170E+00 1.2618E+01 -1.2523E+01 H1 1412 1.008000 0.423800 -9.8417E+00 1.2044E+01 -1.1771E+01 H2 1413 1.008000 0.423800 -9.5764E+00 1.3581E+01 -1.2257E+01 O6 1414 15.999400 -0.847600 1.4225E+01 -1.1227E+01 -1.2380E+01 H1 1415 1.008000 0.423800 1.5196E+01 -1.0989E+01 -1.2392E+01 H2 1416 1.008000 0.423800 1.3711E+01 -1.0505E+01 -1.1916E+01 O6 1417 15.999400 -0.847600 -6.8320E+00 -2.0826E-02 7.7411E+00 H1 1418 1.008000 0.423800 -6.0397E+00 -4.8100E-01 8.1418E+00 H2 1419 1.008000 0.423800 -7.6505E+00 -5.7533E-01 7.8911E+00 O6 1420 15.999400 -0.847600 -1.7906E+01 1.2996E+01 -1.4244E+00 H1 1421 1.008000 0.423800 -1.8559E+01 1.2279E+01 -1.6665E+00 H2 1422 1.008000 0.423800 -1.7348E+01 1.2692E+01 -6.5179E-01 O6 1423 15.999400 -0.847600 5.5061E+00 1.4621E+01 5.1861E+00 H1 1424 1.008000 0.423800 5.2789E+00 1.4278E+01 4.2748E+00 H2 1425 1.008000 0.423800 6.3864E+00 1.5095E+01 5.1540E+00 O6 1426 15.999400 -0.847600 -3.7652E+00 -5.7736E+00 -1.0883E+00 H1 1427 1.008000 0.423800 -3.2953E+00 -6.1045E+00 -1.9067E+00 H2 1428 1.008000 0.423800 -3.0896E+00 -5.5127E+00 -3.9874E-01 O6 1429 15.999400 -0.847600 2.8862E+00 -1.6377E+01 1.6502E+01 H1 1430 1.008000 0.423800 2.2985E+00 -1.7158E+01 1.6713E+01 H2 1431 1.008000 0.423800 2.6810E+00 -1.5626E+01 1.7129E+01 O6 1432 15.999400 -0.847600 -5.1153E-01 -2.2308E+00 1.8295E+01 H1 1433 1.008000 0.423800 -1.5530E-01 -1.9353E+00 1.9182E+01 H2 1434 1.008000 0.423800 -8.5889E-01 -1.4380E+00 1.7795E+01 O6 1435 15.999400 -0.847600 -1.4522E+01 -1.2105E-01 9.2455E+00 H1 1436 1.008000 0.423800 -1.4931E+01 6.2954E-01 9.7649E+00 H2 1437 1.008000 0.423800 -1.3744E+01 -4.9192E-01 9.7521E+00 O6 1438 15.999400 -0.847600 -6.7279E+00 1.0629E+01 1.8383E+01 H1 1439 1.008000 0.423800 -7.1977E+00 1.0194E+01 1.9151E+01 H2 1440 1.008000 0.423800 -7.4036E+00 1.1004E+01 1.7748E+01 O6 1441 15.999400 -0.847600 -1.3534E+01 9.7104E+00 -6.3875E+00 H1 1442 1.008000 0.423800 -1.4287E+01 1.0357E+01 -6.2669E+00 H2 1443 1.008000 0.423800 -1.3348E+01 9.2496E+00 -5.5197E+00 O6 1444 15.999400 -0.847600 -1.0584E+00 2.2750E+00 -7.4097E-01 H1 1445 1.008000 0.423800 -9.2424E-01 1.6693E+00 4.3357E-02 H2 1446 1.008000 0.423800 -1.3036E+00 1.7314E+00 -1.5437E+00 O6 1447 15.999400 -0.847600 1.4840E+01 1.5831E+01 -4.5713E+00 H1 1448 1.008000 0.423800 1.3868E+01 1.5764E+01 -4.7960E+00 H2 1449 1.008000 0.423800 1.5127E+01 1.6787E+01 -4.6160E+00 O6 1450 15.999400 -0.847600 1.6052E+01 -1.6879E+01 -6.4812E+00 H1 1451 1.008000 0.423800 1.5771E+01 -1.6207E+01 -7.1668E+00 H2 1452 1.008000 0.423800 1.6124E+01 -1.7780E+01 -6.9078E+00 O6 1453 15.999400 -0.847600 4.7725E+00 2.5773E+00 -9.3398E+00 H1 1454 1.008000 0.423800 4.4039E+00 2.0763E+00 -1.0123E+01 H2 1455 1.008000 0.423800 5.5944E+00 2.1158E+00 -9.0058E+00 O6 1456 15.999400 -0.847600 1.4587E+01 -1.6869E+00 -2.9172E+00 H1 1457 1.008000 0.423800 1.5251E+01 -2.2478E+00 -3.4122E+00 H2 1458 1.008000 0.423800 1.3675E+01 -2.0824E+00 -3.0192E+00 O6 1459 15.999400 -0.847600 1.1009E+01 1.2364E+01 -1.6841E+00 H1 1460 1.008000 0.423800 1.0118E+01 1.1910E+01 -1.6987E+00 H2 1461 1.008000 0.423800 1.1094E+01 1.2906E+01 -8.4761E-01 O6 1462 15.999400 -0.847600 9.8135E+00 1.9459E+01 1.3263E+01 H1 1463 1.008000 0.423800 1.0182E+01 -1.8855E+01 1.3763E+01 H2 1464 1.008000 0.423800 8.8896E+00 -1.9427E+01 1.2945E+01 O6 1465 15.999400 -0.847600 -1.6217E+01 4.4068E+00 -3.7485E+00 H1 1466 1.008000 0.423800 -1.5616E+01 3.6768E+00 -4.0748E+00 H2 1467 1.008000 0.423800 -1.5784E+01 5.2930E+00 -3.9127E+00 O6 1468 15.999400 -0.847600 7.1333E+00 4.5399E+00 1.0747E+01 H1 1469 1.008000 0.423800 7.0970E+00 4.4970E+00 9.7485E+00 H2 1470 1.008000 0.423800 6.3075E+00 4.9864E+00 1.1091E+01 O6 1471 15.999400 -0.847600 1.8014E+01 1.6861E+01 3.8231E+00 H1 1472 1.008000 0.423800 1.7722E+01 1.6566E+01 2.9133E+00 H2 1473 1.008000 0.423800 1.8557E+01 1.6137E+01 4.2500E+00 O6 1474 15.999400 -0.847600 1.5116E+01 1.7067E+01 -1.5950E+01 H1 1475 1.008000 0.423800 1.4594E+01 1.6763E+01 -1.6747E+01 H2 1476 1.008000 0.423800 1.5663E+01 1.7867E+01 -1.6195E+01 O6 1477 15.999400 -0.847600 3.2230E+00 1.2723E+01 -6.7902E+00 H1 1478 1.008000 0.423800 4.0209E+00 1.3016E+01 -7.3173E+00 H2 1479 1.008000 0.423800 2.3977E+00 1.3131E+01 -7.1809E+00 O6 1480 15.999400 -0.847600 -5.9113E+00 -4.5407E+00 -2.8934E+00 H1 1481 1.008000 0.423800 -5.0749E+00 -4.9366E+00 -2.5143E+00 H2 1482 1.008000 0.423800 -6.7048E+00 -5.0335E+00 -2.5362E+00 O6 1483 15.999400 -0.847600 7.3485E+00 -1.5970E+01 -3.5072E+00 H1 1484 1.008000 0.423800 7.1414E+00 -1.5224E+01 -4.1403E+00 H2 1485 1.008000 0.423800 8.2591E+00 -1.5833E+01 -3.1173E+00 O6 1486 15.999400 -0.847600 -1.6466E+01 -1.8965E+01 -7.1301E+00 H1 1487 1.008000 0.423800 -1.5651E+01 -1.9058E+01 -6.5583E+00 H2 1488 1.008000 0.423800 -1.6580E+01 1.9309E+01 -7.6858E+00 O6 1489 15.999400 -0.847600 1.3689E+01 -4.9358E+00 -3.9968E+00 H1 1490 1.008000 0.423800 1.4466E+01 -5.3197E+00 -4.4963E+00 H2 1491 1.008000 0.423800 1.3965E+01 -4.7334E+00 -3.0570E+00 O6 1492 15.999400 -0.847600 -1.4870E+01 1.5359E+00 1.7730E+01 H1 1493 1.008000 0.423800 -1.4423E+01 2.2145E+00 1.7147E+01 H2 1494 1.008000 0.423800 -1.4972E+01 1.9048E+00 1.8654E+01 O6 1495 15.999400 -0.847600 -1.1488E+01 -1.8854E+01 -1.9331E+01 H1 1496 1.008000 0.423800 -1.2240E+01 -1.9045E+01 -1.8699E+01 H2 1497 1.008000 0.423800 -1.0619E+01 -1.8905E+01 -1.8839E+01 O6 1498 15.999400 -0.847600 -1.9394E+01 1.1830E+01 -3.5806E+00 H1 1499 1.008000 0.423800 -1.8568E+01 1.1730E+01 -4.1347E+00 H2 1500 1.008000 0.423800 1.9210E+01 1.0961E+01 -3.5584E+00 O6 1501 15.999400 -0.847600 1.7650E+01 6.6087E+00 7.1075E+00 H1 1502 1.008000 0.423800 1.8180E+01 7.4081E+00 7.3900E+00 H2 1503 1.008000 0.423800 1.7812E+01 6.4271E+00 6.1376E+00 O6 1504 15.999400 -0.847600 -2.2154E+00 1.7270E+01 4.2773E-01 H1 1505 1.008000 0.423800 -3.0313E+00 1.7006E+01 -8.6645E-02 H2 1506 1.008000 0.423800 -2.2227E+00 1.6818E+01 1.3195E+00 O6 1507 15.999400 -0.847600 1.9536E+01 -1.4165E+01 -7.9451E+00 H1 1508 1.008000 0.423800 1.8632E+01 -1.3913E+01 -8.2920E+00 H2 1509 1.008000 0.423800 -1.9399E+01 -1.5137E+01 -8.1130E+00 O6 1510 15.999400 -0.847600 -8.7327E+00 1.0243E+01 9.8381E+00 H1 1511 1.008000 0.423800 -9.1594E+00 9.5256E+00 1.0389E+01 H2 1512 1.008000 0.423800 -9.3843E+00 1.0568E+01 9.1530E+00 O6 1513 15.999400 -0.847600 1.4845E+01 -1.2675E+01 4.5499E+00 H1 1514 1.008000 0.423800 1.4995E+01 -1.1700E+01 4.7157E+00 H2 1515 1.008000 0.423800 1.4106E+01 -1.2790E+01 3.8868E+00 O6 1516 15.999400 -0.847600 1.6633E-01 -1.2099E+01 -4.2690E-01 H1 1517 1.008000 0.423800 4.4332E-01 -1.3042E+01 -6.1002E-01 H2 1518 1.008000 0.423800 5.5018E-01 -1.1802E+01 4.4767E-01 O6 1519 15.999400 -0.847600 1.5140E+01 -3.3913E+00 -1.4329E+01 H1 1520 1.008000 0.423800 1.5276E+01 -2.9892E+00 -1.3424E+01 H2 1521 1.008000 0.423800 1.4714E+01 -4.2911E+00 -1.4233E+01 O6 1522 15.999400 -0.847600 1.8289E+01 -1.6840E+01 -1.2847E+01 H1 1523 1.008000 0.423800 1.8071E+01 -1.7816E+01 -1.2806E+01 H2 1524 1.008000 0.423800 1.9241E+01 -1.6700E+01 -1.2574E+01 O6 1525 15.999400 -0.847600 -7.7408E+00 -4.7679E+00 1.8592E+01 H1 1526 1.008000 0.423800 -7.0436E+00 -4.9193E+00 1.7891E+01 H2 1527 1.008000 0.423800 -8.5394E+00 -5.3368E+00 1.8396E+01 O6 1528 15.999400 -0.847600 8.9107E+00 1.3417E+01 1.3057E+01 H1 1529 1.008000 0.423800 9.8365E+00 1.3586E+01 1.3395E+01 H2 1530 1.008000 0.423800 8.6829E+00 1.4094E+01 1.2357E+01 O6 1531 15.999400 -0.847600 4.1860E+00 6.7152E+00 4.4343E+00 H1 1532 1.008000 0.423800 3.3515E+00 7.0083E+00 4.9008E+00 H2 1533 1.008000 0.423800 3.9757E+00 5.9518E+00 3.8235E+00 O6 1534 15.999400 -0.847600 -7.5697E+00 -1.3721E+01 -9.5240E+00 H1 1535 1.008000 0.423800 -7.5226E+00 -1.4199E+01 -8.6469E+00 H2 1536 1.008000 0.423800 -7.5536E+00 -1.2733E+01 -9.3668E+00 O6 1537 15.999400 -0.847600 1.7861E+01 -1.9046E+01 1.0507E+00 H1 1538 1.008000 0.423800 1.8672E+01 -1.9489E+01 6.7010E-01 H2 1539 1.008000 0.423800 1.7877E+01 -1.9120E+01 2.0478E+00 O6 1540 15.999400 -0.847600 1.1630E+01 -1.2883E+01 1.0721E+01 H1 1541 1.008000 0.423800 1.2099E+01 -1.2513E+01 9.9197E+00 H2 1542 1.008000 0.423800 1.1347E+01 -1.3824E+01 1.0537E+01 O6 1543 15.999400 -0.847600 1.2828E+01 1.7376E+01 1.6715E+01 H1 1544 1.008000 0.423800 1.2461E+01 1.6761E+01 1.6018E+01 H2 1545 1.008000 0.423800 1.2746E+01 1.8322E+01 1.6401E+01 O6 1546 15.999400 -0.847600 2.1861E+00 7.2733E+00 -9.7337E+00 H1 1547 1.008000 0.423800 1.6908E+00 6.5930E+00 -9.1934E+00 H2 1548 1.008000 0.423800 1.6680E+00 7.4817E+00 -1.0563E+01 O6 1549 15.999400 -0.847600 1.8108E+01 6.4736E+00 4.2514E+00 H1 1550 1.008000 0.423800 1.9046E+01 6.1294E+00 4.2912E+00 H2 1551 1.008000 0.423800 1.8103E+01 7.3779E+00 3.8246E+00 O6 1552 15.999400 -0.847600 1.9453E+01 1.7635E+01 -9.3981E+00 H1 1553 1.008000 0.423800 1.9170E+01 1.7042E+01 -8.6450E+00 H2 1554 1.008000 0.423800 1.9220E+01 1.8583E+01 -9.1813E+00 O6 1555 15.999400 -0.847600 1.4140E+01 1.3892E+01 8.1410E+00 H1 1556 1.008000 0.423800 1.5088E+01 1.3758E+01 7.8530E+00 H2 1557 1.008000 0.423800 1.4013E+01 1.4838E+01 8.4391E+00 O6 1558 15.999400 -0.847600 1.6947E+01 -1.4470E+01 3.4402E+00 H1 1559 1.008000 0.423800 1.6217E+01 -1.3895E+01 3.8097E+00 H2 1560 1.008000 0.423800 1.7688E+01 -1.4538E+01 4.1083E+00 O6 1561 15.999400 -0.847600 1.3871E+01 5.1555E+00 -5.9249E+00 H1 1562 1.008000 0.423800 1.3220E+01 4.6071E+00 -6.4489E+00 H2 1563 1.008000 0.423800 1.3768E+01 6.1196E+00 -6.1695E+00 O6 1564 15.999400 -0.847600 -1.5580E+01 8.0377E+00 -1.8063E+01 H1 1565 1.008000 0.423800 -1.6312E+01 7.4574E+00 -1.8421E+01 H2 1566 1.008000 0.423800 -1.4926E+01 8.2376E+00 -1.8792E+01 O6 1567 15.999400 -0.847600 -1.4330E+00 -8.4021E+00 -1.6895E+01 H1 1568 1.008000 0.423800 -2.1845E+00 -9.0617E+00 -1.6900E+01 H2 1569 1.008000 0.423800 -1.7299E+00 -7.5554E+00 -1.7336E+01 O6 1570 15.999400 -0.847600 -1.4654E+01 -5.3334E-02 -6.4066E+00 H1 1571 1.008000 0.423800 -1.4979E+01 -5.8661E-01 -5.6256E+00 H2 1572 1.008000 0.423800 -1.3656E+01 2.5694E-04 -6.3810E+00 O6 1573 15.999400 -0.847600 -1.1761E+01 -5.9450E+00 -1.6275E+01 H1 1574 1.008000 0.423800 -1.1878E+01 -5.0619E+00 -1.5820E+01 H2 1575 1.008000 0.423800 -1.2245E+01 -5.9367E+00 -1.7150E+01 O6 1576 15.999400 -0.847600 5.6616E+00 -1.2789E+01 1.8376E+01 H1 1577 1.008000 0.423800 5.6490E+00 -1.2323E+01 1.7491E+01 H2 1578 1.008000 0.423800 6.3739E+00 -1.2389E+01 1.8952E+01 O6 1579 15.999400 -0.847600 -1.4375E+01 -2.3932E-01 2.8982E+00 H1 1580 1.008000 0.423800 -1.4226E+01 -9.5744E-01 3.5780E+00 H2 1581 1.008000 0.423800 -1.3694E+01 -3.2165E-01 2.1711E+00 O6 1582 15.999400 -0.847600 -1.0667E+01 -5.4146E+00 7.5561E+00 H1 1583 1.008000 0.423800 -9.7035E+00 -5.2981E+00 7.3162E+00 H2 1584 1.008000 0.423800 -1.1029E+01 -6.2255E+00 7.0964E+00 O6 1585 15.999400 -0.847600 -3.6825E+00 1.7515E+01 -6.0651E+00 H1 1586 1.008000 0.423800 -4.4360E+00 1.7306E+01 -6.6886E+00 H2 1587 1.008000 0.423800 -3.5650E+00 1.8506E+01 -6.0045E+00 O6 1588 15.999400 -0.847600 1.5111E+01 1.7827E+01 7.8559E+00 H1 1589 1.008000 0.423800 1.4179E+01 1.7874E+01 8.2146E+00 H2 1590 1.008000 0.423800 1.5081E+01 1.7706E+01 6.8638E+00 O6 1591 15.999400 -0.847600 -3.5004E+00 -1.4974E+01 -6.4725E+00 H1 1592 1.008000 0.423800 -2.8456E+00 -1.4696E+01 -5.7694E+00 H2 1593 1.008000 0.423800 -4.4049E+00 -1.5084E+01 -6.0606E+00 O6 1594 15.999400 -0.847600 2.7698E+00 1.6608E+01 -1.8793E+01 H1 1595 1.008000 0.423800 2.0609E+00 1.7228E+01 -1.9130E+01 H2 1596 1.008000 0.423800 3.3624E+00 1.6335E+01 1.9547E+01 O6 1597 15.999400 -0.847600 -1.9403E+01 -3.1753E-01 9.4124E+00 H1 1598 1.008000 0.423800 -1.8609E+01 2.1121E-01 9.1114E+00 H2 1599 1.008000 0.423800 1.9463E+01 -6.5332E-02 1.0352E+01 O6 1600 15.999400 -0.847600 1.8112E+01 -8.3816E+00 -1.4101E+01 H1 1601 1.008000 0.423800 1.8037E+01 -7.4201E+00 -1.4365E+01 H2 1602 1.008000 0.423800 1.9069E+01 -8.6001E+00 -1.3907E+01 O6 1603 15.999400 -0.847600 -1.2261E+01 -5.3177E+00 -1.9596E+00 H1 1604 1.008000 0.423800 -1.1554E+01 -5.8667E+00 -2.4066E+00 H2 1605 1.008000 0.423800 -1.1845E+01 -4.4993E+00 -1.5627E+00 O6 1606 15.999400 -0.847600 -2.8624E+00 9.5976E+00 8.6549E+00 H1 1607 1.008000 0.423800 -3.6713E+00 9.2318E+00 8.1946E+00 H2 1608 1.008000 0.423800 -2.8096E+00 1.0584E+01 8.5019E+00 O6 1609 15.999400 -0.847600 -6.6946E+00 1.0285E+01 1.5473E+01 H1 1610 1.008000 0.423800 -6.9047E+00 1.0009E+01 1.4535E+01 H2 1611 1.008000 0.423800 -5.8726E+00 9.8077E+00 1.5785E+01 O6 1612 15.999400 -0.847600 -2.6164E-01 -4.9300E+00 -5.4068E+00 H1 1613 1.008000 0.423800 -1.2501E+00 -4.7799E+00 -5.4280E+00 H2 1614 1.008000 0.423800 -5.8949E-02 -5.7371E+00 -4.8523E+00 O6 1615 15.999400 -0.847600 7.1121E+00 1.6399E+01 -1.3601E+01 H1 1616 1.008000 0.423800 7.5697E+00 1.7285E+01 -1.3518E+01 H2 1617 1.008000 0.423800 7.6733E+00 1.5693E+01 -1.3169E+01 O6 1618 15.999400 -0.847600 1.1893E+01 -2.3461E+00 -2.2167E+00 H1 1619 1.008000 0.423800 1.0975E+01 -2.5890E+00 -2.5289E+00 H2 1620 1.008000 0.423800 1.1858E+01 -1.4779E+00 -1.7218E+00 O6 1621 15.999400 -0.847600 -1.7422E+01 -1.8383E+01 -1.8410E+01 H1 1622 1.008000 0.423800 -1.8322E+01 -1.7949E+01 -1.8372E+01 H2 1623 1.008000 0.423800 -1.6745E+01 -1.7785E+01 -1.7980E+01 O6 1624 15.999400 -0.847600 -1.6459E+00 1.1476E+01 -1.4506E+01 H1 1625 1.008000 0.423800 -1.4933E+00 1.1120E+01 -1.5428E+01 H2 1626 1.008000 0.423800 -2.0113E+00 1.0749E+01 -1.3925E+01 O6 1627 15.999400 -0.847600 1.4330E+00 2.5769E+00 6.8537E+00 H1 1628 1.008000 0.423800 8.2614E-01 3.2167E+00 6.3822E+00 H2 1629 1.008000 0.423800 1.1423E+00 2.4819E+00 7.8058E+00 O6 1630 15.999400 -0.847600 -9.3746E+00 -6.8222E+00 -1.7189E+01 H1 1631 1.008000 0.423800 -1.0311E+01 -6.7439E+00 -1.6846E+01 H2 1632 1.008000 0.423800 -9.1696E+00 -6.0426E+00 -1.7780E+01 O6 1633 15.999400 -0.847600 -1.1325E+01 -6.0493E-01 1.8884E+01 H1 1634 1.008000 0.423800 -1.1678E+01 2.8746E-01 1.9165E+01 H2 1635 1.008000 0.423800 -1.1181E+01 -1.1760E+00 -1.9405E+01 O6 1636 15.999400 -0.847600 -1.1431E+01 -1.6404E+01 -1.2634E+01 H1 1637 1.008000 0.423800 -1.1197E+01 -1.6515E+01 -1.1668E+01 H2 1638 1.008000 0.423800 -1.2315E+01 -1.6836E+01 -1.2814E+01 O6 1639 15.999400 -0.847600 -5.3006E+00 -9.0601E+00 -1.9825E+00 H1 1640 1.008000 0.423800 -5.5605E+00 -9.3508E+00 -1.0616E+00 H2 1641 1.008000 0.423800 -4.3854E+00 -8.6577E+00 -1.9591E+00 O6 1642 15.999400 -0.847600 4.4931E+00 -6.5710E+00 -1.1561E+01 H1 1643 1.008000 0.423800 5.1510E+00 -7.0054E+00 -1.2176E+01 H2 1644 1.008000 0.423800 3.5639E+00 -6.7753E+00 -1.1869E+01 O6 1645 15.999400 -0.847600 8.3677E+00 1.5356E+01 -1.1511E+01 H1 1646 1.008000 0.423800 7.5133E+00 1.5688E+01 -1.1111E+01 H2 1647 1.008000 0.423800 9.0721E+00 1.6061E+01 -1.1423E+01 O6 1648 15.999400 -0.847600 -8.6270E+00 -1.5491E+00 -1.1884E+01 H1 1649 1.008000 0.423800 -9.3749E+00 -1.8135E+00 -1.2493E+01 H2 1650 1.008000 0.423800 -8.9899E+00 -1.0061E+00 -1.1127E+01 O6 1651 15.999400 -0.847600 -3.5404E+00 1.0325E+01 1.3259E+01 H1 1652 1.008000 0.423800 -3.2451E+00 9.3787E+00 1.3131E+01 H2 1653 1.008000 0.423800 -4.5395E+00 1.0363E+01 1.3279E+01 O6 1654 15.999400 -0.847600 -1.5287E+01 -7.2800E+00 8.2265E+00 H1 1655 1.008000 0.423800 -1.5601E+01 -8.1289E+00 8.6514E+00 H2 1656 1.008000 0.423800 -1.6076E+01 -6.7548E+00 7.9076E+00 O6 1657 15.999400 -0.847600 -9.4104E-01 -1.3203E+00 -1.3841E+01 H1 1658 1.008000 0.423800 -1.1971E+00 -2.2638E+00 -1.4051E+01 H2 1659 1.008000 0.423800 -1.7039E+00 -7.1153E-01 -1.4059E+01 O6 1660 15.999400 -0.847600 -9.4072E+00 -4.4108E+00 1.2002E+01 H1 1661 1.008000 0.423800 -8.8184E+00 -4.5912E+00 1.2790E+01 H2 1662 1.008000 0.423800 -8.9119E+00 -3.8520E+00 1.1337E+01 O6 1663 15.999400 -0.847600 -7.1831E+00 8.3081E+00 -2.6947E-01 H1 1664 1.008000 0.423800 -8.1315E+00 8.2037E+00 2.9917E-02 H2 1665 1.008000 0.423800 -6.8230E+00 9.1801E+00 6.2154E-02 O6 1666 15.999400 -0.847600 1.3832E+01 7.3487E+00 1.4421E+01 H1 1667 1.008000 0.423800 1.3552E+01 6.5315E+00 1.4925E+01 H2 1668 1.008000 0.423800 1.3368E+01 8.1492E+00 1.4800E+01 O6 1669 15.999400 -0.847600 -1.5793E+01 1.8234E+01 -3.2080E+00 H1 1670 1.008000 0.423800 -1.6785E+01 1.8147E+01 -3.1225E+00 H2 1671 1.008000 0.423800 -1.5542E+01 1.8247E+01 -4.1758E+00 O6 1672 15.999400 -0.847600 2.4760E+00 -5.4500E+00 1.0384E+01 H1 1673 1.008000 0.423800 3.2113E+00 -5.1991E+00 1.1014E+01 H2 1674 1.008000 0.423800 1.7251E+00 -5.8656E+00 1.0898E+01 O6 1675 15.999400 -0.847600 4.3605E+00 5.9500E-03 1.5665E+01 H1 1676 1.008000 0.423800 3.5900E+00 -4.3376E-01 1.6127E+01 H2 1677 1.008000 0.423800 5.1165E+00 -6.4382E-01 1.5586E+01 O6 1678 15.999400 -0.847600 7.1012E+00 5.3926E+00 1.7173E+01 H1 1679 1.008000 0.423800 7.3659E+00 5.6503E+00 1.8102E+01 H2 1680 1.008000 0.423800 7.5078E+00 6.0326E+00 1.6521E+01 O6 1681 15.999400 -0.847600 -8.6659E-01 1.8677E+01 3.6239E+00 H1 1682 1.008000 0.423800 -1.4339E+00 1.9410E+01 3.2490E+00 H2 1683 1.008000 0.423800 9.6252E-02 1.8872E+01 3.4369E+00 O6 1684 15.999400 -0.847600 1.7087E+01 -3.8599E+00 -7.4365E-01 H1 1685 1.008000 0.423800 1.6225E+01 -3.8441E+00 -1.2507E+00 H2 1686 1.008000 0.423800 1.7839E+01 -4.0627E+00 -1.3708E+00 O6 1687 15.999400 -0.847600 -3.0964E+00 1.0750E+01 3.9415E+00 H1 1688 1.008000 0.423800 -3.6181E+00 9.9172E+00 3.7577E+00 H2 1689 1.008000 0.423800 -2.3639E+00 1.0841E+01 3.2668E+00 O6 1690 15.999400 -0.847600 5.6370E+00 1.3412E+01 -8.0908E+00 H1 1691 1.008000 0.423800 5.3632E+00 1.4353E+01 -7.8878E+00 H2 1692 1.008000 0.423800 5.4777E+00 1.3221E+01 -9.0592E+00 O6 1693 15.999400 -0.847600 1.1833E+01 -1.2021E+01 -2.8558E+00 H1 1694 1.008000 0.423800 1.2161E+01 -1.1121E+01 -3.1414E+00 H2 1695 1.008000 0.423800 1.0886E+01 -1.2141E+01 -3.1553E+00 O6 1696 15.999400 -0.847600 1.2101E+01 1.2882E+01 -7.1428E+00 H1 1697 1.008000 0.423800 1.1208E+01 1.3258E+01 -7.3891E+00 H2 1698 1.008000 0.423800 1.2178E+01 1.2831E+01 -6.1471E+00 O6 1699 15.999400 -0.847600 -1.3845E+01 1.8268E+01 -1.8307E+01 H1 1700 1.008000 0.423800 -1.4821E+01 1.8369E+01 -1.8496E+01 H2 1701 1.008000 0.423800 -1.3528E+01 1.7385E+01 -1.8653E+01 O6 1702 15.999400 -0.847600 -3.1610E+00 1.4812E+01 -9.1599E+00 H1 1703 1.008000 0.423800 -2.6694E+00 1.4888E+01 -8.2923E+00 H2 1704 1.008000 0.423800 -3.0149E+00 1.5642E+01 -9.6987E+00 O6 1705 15.999400 -0.847600 -1.7375E+01 -3.4146E+00 7.8358E+00 H1 1706 1.008000 0.423800 -1.6934E+01 -2.5270E+00 7.7043E+00 H2 1707 1.008000 0.423800 -1.7643E+01 -3.5152E+00 8.7941E+00 O6 1708 15.999400 -0.847600 -1.8868E+01 3.4673E+00 8.1648E+00 H1 1709 1.008000 0.423800 -1.8405E+01 2.6397E+00 7.8479E+00 H2 1710 1.008000 0.423800 1.9262E+01 3.2681E+00 8.3231E+00 O6 1711 15.999400 -0.847600 1.7248E+01 1.4073E+01 2.8328E+00 H1 1712 1.008000 0.423800 1.7149E+01 1.4932E+01 2.3302E+00 H2 1713 1.008000 0.423800 1.7582E+01 1.3362E+01 2.2143E+00 O6 1714 15.999400 -0.847600 -1.6330E+01 -1.2303E+01 -5.4727E-01 H1 1715 1.008000 0.423800 -1.5899E+01 -1.3205E+01 -5.2317E-01 H2 1716 1.008000 0.423800 -1.6578E+01 -1.2077E+01 -1.4893E+00 O6 1717 15.999400 -0.847600 -1.8373E+01 -8.5089E+00 -1.3100E+01 H1 1718 1.008000 0.423800 -1.8107E+01 -7.7955E+00 -1.2452E+01 H2 1719 1.008000 0.423800 -1.8177E+01 -9.4069E+00 -1.2707E+01 O6 1720 15.999400 -0.847600 -1.3690E+01 1.4840E+01 -7.0691E-01 H1 1721 1.008000 0.423800 -1.2980E+01 1.5401E+01 -2.7925E-01 H2 1722 1.008000 0.423800 -1.3873E+01 1.4041E+01 -1.3433E-01 O6 1723 15.999400 -0.847600 1.8309E+01 1.6320E+01 -1.5377E+01 H1 1724 1.008000 0.423800 1.8010E+01 1.7062E+01 -1.5978E+01 H2 1725 1.008000 0.423800 1.8584E+01 1.6698E+01 -1.4493E+01 O6 1726 15.999400 -0.847600 -1.1428E+01 -5.9404E-02 1.4714E+01 H1 1727 1.008000 0.423800 -1.0654E+01 4.6122E-01 1.5075E+01 H2 1728 1.008000 0.423800 -1.2192E+01 5.6010E-01 1.4536E+01 O6 1729 15.999400 -0.847600 5.0716E+00 1.2627E+01 -1.5430E+01 H1 1730 1.008000 0.423800 5.7455E+00 1.1889E+01 -1.5453E+01 H2 1731 1.008000 0.423800 5.1169E+00 1.3146E+01 -1.6283E+01 O6 1732 15.999400 -0.847600 -4.6650E+00 1.0490E+01 -1.9026E+01 H1 1733 1.008000 0.423800 -5.2166E+00 1.0727E+01 -1.8226E+01 H2 1734 1.008000 0.423800 -5.0857E+00 1.0876E+01 1.9250E+01 O6 1735 15.999400 -0.847600 -1.0700E+01 9.6943E+00 -7.3736E+00 H1 1736 1.008000 0.423800 -1.1675E+01 9.8798E+00 -7.2502E+00 H2 1737 1.008000 0.423800 -1.0450E+01 8.8718E+00 -6.8627E+00 O6 1738 15.999400 -0.847600 -7.8108E+00 1.6708E+01 -1.4122E+01 H1 1739 1.008000 0.423800 -7.2143E+00 1.7047E+01 -1.4849E+01 H2 1740 1.008000 0.423800 -7.4615E+00 1.7012E+01 -1.3235E+01 O6 1741 15.999400 -0.847600 -1.9894E+00 -1.0099E+01 -1.1509E+01 H1 1742 1.008000 0.423800 -1.6737E+00 -9.4473E+00 -1.2199E+01 H2 1743 1.008000 0.423800 -2.2544E+00 -1.0954E+01 -1.1954E+01 O6 1744 15.999400 -0.847600 -1.6946E+01 -1.2660E+01 8.8167E+00 H1 1745 1.008000 0.423800 -1.7437E+01 -1.3311E+01 8.2380E+00 H2 1746 1.008000 0.423800 -1.7382E+01 -1.2619E+01 9.7158E+00 O6 1747 15.999400 -0.847600 1.2503E+01 9.5078E+00 1.6047E+01 H1 1748 1.008000 0.423800 1.2026E+01 9.9831E+00 1.6787E+01 H2 1749 1.008000 0.423800 1.1866E+01 9.3419E+00 1.5294E+01 O6 1750 15.999400 -0.847600 -4.4364E+00 5.7504E+00 1.1376E+01 H1 1751 1.008000 0.423800 -4.9700E+00 5.0596E+00 1.1864E+01 H2 1752 1.008000 0.423800 -4.1260E+00 5.3759E+00 1.0502E+01 O6 1753 15.999400 -0.847600 -1.6305E+01 -1.2034E+01 -1.4208E+01 H1 1754 1.008000 0.423800 -1.6903E+01 -1.2708E+01 -1.4642E+01 H2 1755 1.008000 0.423800 -1.6313E+01 -1.2169E+01 -1.3217E+01 O6 1756 15.999400 -0.847600 -5.1716E+00 1.3869E+01 -4.8223E+00 H1 1757 1.008000 0.423800 -4.6341E+00 1.4494E+01 -4.2567E+00 H2 1758 1.008000 0.423800 -4.5807E+00 1.3139E+01 -5.1663E+00 O6 1759 15.999400 -0.847600 -5.6641E+00 1.6965E+01 -7.7185E+00 H1 1760 1.008000 0.423800 -5.4111E+00 1.6825E+01 -8.6759E+00 H2 1761 1.008000 0.423800 -6.2364E+00 1.6205E+01 -7.4108E+00 O6 1762 15.999400 -0.847600 1.5297E+01 -1.0590E+01 1.3148E+01 H1 1763 1.008000 0.423800 1.4951E+01 -1.1025E+01 1.3980E+01 H2 1764 1.008000 0.423800 1.5394E+01 -1.1277E+01 1.2428E+01 O6 1765 15.999400 -0.847600 1.0244E+00 5.3708E+00 1.3691E+01 H1 1766 1.008000 0.423800 1.0256E+00 6.0783E+00 1.4398E+01 H2 1767 1.008000 0.423800 1.0065E-01 5.2708E+00 1.3321E+01 O6 1768 15.999400 -0.847600 1.8598E+01 1.3279E+01 -1.8951E+01 H1 1769 1.008000 0.423800 1.8325E+01 1.3700E+01 1.9281E+01 H2 1770 1.008000 0.423800 1.9025E+01 1.3967E+01 -1.8365E+01 O6 1771 15.999400 -0.847600 3.1656E+00 -8.3202E+00 -2.5734E+00 H1 1772 1.008000 0.423800 2.6256E+00 -7.8268E+00 -1.8915E+00 H2 1773 1.008000 0.423800 3.1849E+00 -9.2931E+00 -2.3430E+00 O6 1774 15.999400 -0.847600 -3.3005E+00 1.4089E+01 -1.7329E+01 H1 1775 1.008000 0.423800 -2.7451E+00 1.4911E+01 -1.7204E+01 H2 1776 1.008000 0.423800 -3.4675E+00 1.3662E+01 -1.6441E+01 O6 1777 15.999400 -0.847600 -1.7644E+01 -2.7683E+00 -7.3564E+00 H1 1778 1.008000 0.423800 -1.7205E+01 -2.5155E+00 -6.4943E+00 H2 1779 1.008000 0.423800 -1.7916E+01 -3.7301E+00 -7.3225E+00 O6 1780 15.999400 -0.847600 -5.9938E-01 6.6456E+00 -2.3778E-01 H1 1781 1.008000 0.423800 2.2402E-01 6.4361E+00 -7.6521E-01 H2 1782 1.008000 0.423800 -1.4085E+00 6.4001E+00 -7.7164E-01 O6 1783 15.999400 -0.847600 2.9429E+00 -1.7933E+01 1.3498E+01 H1 1784 1.008000 0.423800 2.3256E+00 -1.7190E+01 1.3237E+01 H2 1785 1.008000 0.423800 3.6235E+00 -1.7588E+01 1.4145E+01 O6 1786 15.999400 -0.847600 -1.8195E+01 6.1180E+00 4.1508E+00 H1 1787 1.008000 0.423800 -1.7435E+01 5.6542E+00 4.6067E+00 H2 1788 1.008000 0.423800 -1.8365E+01 5.6864E+00 3.2650E+00 O6 1789 15.999400 -0.847600 5.7457E+00 -9.7383E+00 -1.0904E+01 H1 1790 1.008000 0.423800 4.8206E+00 -1.0033E+01 -1.0665E+01 H2 1791 1.008000 0.423800 5.7141E+00 -9.1830E+00 -1.1735E+01 O6 1792 15.999400 -0.847600 -1.7089E+01 1.6236E+01 -1.2562E+01 H1 1793 1.008000 0.423800 -1.6210E+01 1.6670E+01 -1.2759E+01 H2 1794 1.008000 0.423800 -1.7176E+01 1.5398E+01 -1.3101E+01 O6 1795 15.999400 -0.847600 1.8816E+01 -5.0953E-01 -1.4025E+01 H1 1796 1.008000 0.423800 1.8613E+01 -2.0401E-01 -1.3095E+01 H2 1797 1.008000 0.423800 -1.9489E+01 -9.1288E-03 -1.4374E+01 O6 1798 15.999400 -0.847600 -1.3364E+00 -1.7766E+00 1.3255E+01 H1 1799 1.008000 0.423800 -6.8623E-01 -1.0908E+00 1.2928E+01 H2 1800 1.008000 0.423800 -2.0803E+00 -1.8726E+00 1.2594E+01 O6 1801 15.999400 -0.847600 4.2648E+00 -1.5913E+01 -5.2436E+00 H1 1802 1.008000 0.423800 3.6291E+00 -1.6051E+01 -6.0030E+00 H2 1803 1.008000 0.423800 5.1775E+00 -1.6220E+01 -5.5128E+00 O6 1804 15.999400 -0.847600 -8.0046E+00 -1.5465E+01 1.6759E+01 H1 1805 1.008000 0.423800 -7.0892E+00 -1.5539E+01 1.7155E+01 H2 1806 1.008000 0.423800 -8.2101E+00 -1.4504E+01 1.6573E+01 O6 1807 15.999400 -0.847600 -5.7775E+00 -1.1319E+01 4.0410E+00 H1 1808 1.008000 0.423800 -6.7699E+00 -1.1406E+01 4.1285E+00 H2 1809 1.008000 0.423800 -5.3961E+00 -1.2178E+01 3.7004E+00 O6 1810 15.999400 -0.847600 -2.1792E+00 -1.9379E+01 -1.4915E+00 H1 1811 1.008000 0.423800 -2.2093E+00 1.9146E+01 -6.7247E-01 H2 1812 1.008000 0.423800 -2.4317E+00 1.9172E+01 -2.2900E+00 O6 1813 15.999400 -0.847600 -1.9256E+01 -3.4461E+00 5.6347E+00 H1 1814 1.008000 0.423800 -1.8459E+01 -3.5870E+00 6.2225E+00 H2 1815 1.008000 0.423800 1.9105E+01 -3.0291E+00 6.1665E+00 O6 1816 15.999400 -0.847600 3.2050E+00 7.6597E+00 -3.2773E+00 H1 1817 1.008000 0.423800 3.1650E+00 6.7635E+00 -3.7192E+00 H2 1818 1.008000 0.423800 2.6602E+00 8.3143E+00 -3.8013E+00 O6 1819 15.999400 -0.847600 6.3818E-01 -9.9325E-01 -1.8632E+01 H1 1820 1.008000 0.423800 3.3792E-01 -2.6168E-01 -1.8020E+01 H2 1821 1.008000 0.423800 1.6282E+00 -1.1092E+00 -1.8552E+01 O6 1822 15.999400 -0.847600 8.1157E+00 -1.2558E+00 -8.9416E+00 H1 1823 1.008000 0.423800 8.4059E+00 -1.7209E+00 -8.1052E+00 H2 1824 1.008000 0.423800 8.9212E+00 -9.6171E-01 -9.4560E+00 O6 1825 15.999400 -0.847600 8.2611E+00 1.0753E+01 1.3467E+01 H1 1826 1.008000 0.423800 8.6533E+00 1.1672E+01 1.3432E+01 H2 1827 1.008000 0.423800 8.9330E+00 1.0091E+01 1.3135E+01 O6 1828 15.999400 -0.847600 -4.7100E+00 4.9653E+00 1.2854E+00 H1 1829 1.008000 0.423800 -4.9595E+00 4.2639E+00 1.9531E+00 H2 1830 1.008000 0.423800 -4.1565E+00 4.5540E+00 5.6118E-01 O6 1831 15.999400 -0.847600 1.6800E+01 1.1175E+01 -1.8200E+01 H1 1832 1.008000 0.423800 1.7343E+01 1.2007E+01 -1.8087E+01 H2 1833 1.008000 0.423800 1.6766E+01 1.0678E+01 -1.7333E+01 O6 1834 15.999400 -0.847600 -2.4218E+00 1.0975E+01 -9.6906E-01 H1 1835 1.008000 0.423800 -2.1324E+00 1.0579E+01 -1.8406E+00 H2 1836 1.008000 0.423800 -2.6506E+00 1.1940E+01 -1.1008E+00 O6 1837 15.999400 -0.847600 -1.6785E+01 -1.6082E+01 -1.4985E+01 H1 1838 1.008000 0.423800 -1.7482E+01 -1.6791E+01 -1.4874E+01 H2 1839 1.008000 0.423800 -1.6151E+01 -1.6349E+01 -1.5711E+01 O6 1840 15.999400 -0.847600 -1.8372E+01 1.7682E+01 -2.7805E+00 H1 1841 1.008000 0.423800 -1.8703E+01 1.6840E+01 -2.3532E+00 H2 1842 1.008000 0.423800 -1.8825E+01 1.7807E+01 -3.6634E+00 O6 1843 15.999400 -0.847600 1.3324E+01 1.3234E+01 1.0758E+01 H1 1844 1.008000 0.423800 1.4089E+01 1.3364E+01 1.1389E+01 H2 1845 1.008000 0.423800 1.3675E+01 1.3113E+01 9.8292E+00 O6 1846 15.999400 -0.847600 1.7300E+01 1.3847E+01 -1.4962E+01 H1 1847 1.008000 0.423800 1.7467E+01 1.4831E+01 -1.4914E+01 H2 1848 1.008000 0.423800 1.6426E+01 1.3636E+01 -1.4525E+01 O6 1849 15.999400 -0.847600 -6.9242E+00 7.1573E+00 -1.0141E+01 H1 1850 1.008000 0.423800 -6.8298E+00 8.1348E+00 -9.9518E+00 H2 1851 1.008000 0.423800 -7.1040E+00 7.0218E+00 -1.1115E+01 O6 1852 15.999400 -0.847600 -1.7267E+01 7.1581E+00 9.8814E-01 H1 1853 1.008000 0.423800 -1.7089E+01 6.9872E+00 1.8980E-02 H2 1854 1.008000 0.423800 -1.8110E+01 6.6938E+00 1.2592E+00 O6 1855 15.999400 -0.847600 1.1166E+01 -8.0257E+00 -8.9931E+00 H1 1856 1.008000 0.423800 1.0200E+01 -7.9642E+00 -8.7412E+00 H2 1857 1.008000 0.423800 1.1679E+01 -7.3062E+00 -8.5248E+00 O6 1858 15.999400 -0.847600 -4.9716E+00 -5.3140E+00 4.2006E+00 H1 1859 1.008000 0.423800 -5.7484E+00 -5.6350E+00 3.6587E+00 H2 1860 1.008000 0.423800 -4.1579E+00 -5.2671E+00 3.6213E+00 O6 1861 15.999400 -0.847600 1.3897E+01 -1.7451E+01 1.4694E+01 H1 1862 1.008000 0.423800 1.4760E+01 -1.7027E+01 1.4419E+01 H2 1863 1.008000 0.423800 1.3172E+01 -1.6763E+01 1.4691E+01 O6 1864 15.999400 -0.847600 -1.1869E+01 -1.9377E+01 5.6080E+00 H1 1865 1.008000 0.423800 -1.0932E+01 1.9450E+01 5.3902E+00 H2 1866 1.008000 0.423800 -1.2045E+01 -1.8462E+01 5.2459E+00 O6 1867 15.999400 -0.847600 -5.3126E+00 2.6277E-01 1.6783E+01 H1 1868 1.008000 0.423800 -4.8565E+00 -5.5973E-01 1.6443E+01 H2 1869 1.008000 0.423800 -5.2257E+00 9.9512E-01 1.6108E+01 O6 1870 15.999400 -0.847600 -8.3073E+00 -6.7053E+00 -4.5488E+00 H1 1871 1.008000 0.423800 -8.0907E+00 -7.5578E+00 -4.0731E+00 H2 1872 1.008000 0.423800 -7.5542E+00 -6.4646E+00 -5.1610E+00 O6 1873 15.999400 -0.847600 -1.4548E+01 1.3599E+01 7.4520E+00 H1 1874 1.008000 0.423800 -1.4614E+01 1.4354E+01 6.7997E+00 H2 1875 1.008000 0.423800 -1.4485E+01 1.3965E+01 8.3804E+00 O6 1876 15.999400 -0.847600 5.3968E+00 8.3615E+00 1.1957E+01 H1 1877 1.008000 0.423800 5.7971E+00 8.3440E+00 1.2873E+01 H2 1878 1.008000 0.423800 4.5975E+00 7.7612E+00 1.1931E+01 O6 1879 15.999400 -0.847600 -1.2659E+01 -1.0710E+01 9.7353E+00 H1 1880 1.008000 0.423800 -1.2397E+01 -1.1571E+01 9.2994E+00 H2 1881 1.008000 0.423800 -1.2421E+01 -9.9461E+00 9.1351E+00 O6 1882 15.999400 -0.847600 1.5856E+01 -8.6317E+00 -1.8419E+01 H1 1883 1.008000 0.423800 1.5764E+01 -8.8072E+00 -1.9400E+01 H2 1884 1.008000 0.423800 1.5394E+01 -9.3546E+00 -1.7906E+01 O6 1885 15.999400 -0.847600 -6.0104E+00 1.6153E+00 -3.8170E+00 H1 1886 1.008000 0.423800 -6.5913E+00 1.8601E+00 -4.5932E+00 H2 1887 1.008000 0.423800 -5.7679E+00 6.4682E-01 -3.8746E+00 O6 1888 15.999400 -0.847600 -3.8169E+00 -1.1952E+01 -8.0153E+00 H1 1889 1.008000 0.423800 -3.6546E+00 -1.2832E+01 -7.5702E+00 H2 1890 1.008000 0.423800 -4.0168E+00 -1.2100E+01 -8.9839E+00 O6 1891 15.999400 -0.847600 1.7943E+01 -3.6805E+00 1.3050E+01 H1 1892 1.008000 0.423800 1.7465E+01 -3.6495E+00 1.2172E+01 H2 1893 1.008000 0.423800 1.7306E+01 -3.9658E+00 1.3766E+01 O6 1894 15.999400 -0.847600 -8.1348E+00 1.1150E+01 6.0099E+00 H1 1895 1.008000 0.423800 -7.4758E+00 1.1902E+01 6.0321E+00 H2 1896 1.008000 0.423800 -8.4160E+00 1.0981E+01 5.0652E+00 O6 1897 15.999400 -0.847600 1.5595E+01 -1.6185E+00 3.9713E+00 H1 1898 1.008000 0.423800 1.4599E+01 -1.6567E+00 3.9002E+00 H2 1899 1.008000 0.423800 1.5998E+01 -2.3191E+00 3.3825E+00 O6 1900 15.999400 -0.847600 -1.9308E+01 2.1176E+00 -1.2193E+01 H1 1901 1.008000 0.423800 1.8825E+01 2.0401E+00 -1.2446E+01 H2 1902 1.008000 0.423800 -1.8750E+01 2.1808E+00 -1.3020E+01 O6 1903 15.999400 -0.847600 -1.0846E+01 1.7993E+01 -1.6487E+01 H1 1904 1.008000 0.423800 -1.0665E+01 1.7011E+01 -1.6448E+01 H2 1905 1.008000 0.423800 -1.1826E+01 1.8147E+01 -1.6614E+01 O6 1906 15.999400 -0.847600 8.8264E+00 3.3835E+00 -1.0142E+01 H1 1907 1.008000 0.423800 8.6952E+00 4.3476E+00 -9.9106E+00 H2 1908 1.008000 0.423800 8.2574E+00 2.8174E+00 -9.5454E+00 O6 1909 15.999400 -0.847600 -6.8609E+00 -7.9782E+00 8.6126E+00 H1 1910 1.008000 0.423800 -6.1127E+00 -7.3150E+00 8.6337E+00 H2 1911 1.008000 0.423800 -7.1629E+00 -8.1099E+00 7.6684E+00 O6 1912 15.999400 -0.847600 -1.3080E+01 1.8738E+01 2.2021E+00 H1 1913 1.008000 0.423800 -1.3292E+01 -1.9452E+01 2.5642E+00 H2 1914 1.008000 0.423800 -1.3921E+01 1.8302E+01 1.8811E+00 O6 1915 15.999400 -0.847600 8.3415E+00 1.5241E+00 -6.0084E+00 H1 1916 1.008000 0.423800 7.8367E+00 1.5886E+00 -5.1476E+00 H2 1917 1.008000 0.423800 8.6788E+00 2.4297E+00 -6.2657E+00 O6 1918 15.999400 -0.847600 -1.2570E+01 1.2704E+01 -8.8027E+00 H1 1919 1.008000 0.423800 -1.1642E+01 1.2912E+01 -8.4948E+00 H2 1920 1.008000 0.423800 -1.2807E+01 1.3298E+01 -9.5719E+00 O6 1921 15.999400 -0.847600 -4.7036E+00 -2.4571E+00 1.9027E+01 H1 1922 1.008000 0.423800 -5.5441E+00 -1.9255E+00 1.9132E+01 H2 1923 1.008000 0.423800 -4.8257E+00 -3.1337E+00 1.8301E+01 O6 1924 15.999400 -0.847600 4.7220E+00 4.0596E+00 -2.9746E+00 H1 1925 1.008000 0.423800 4.0487E+00 4.5878E+00 -3.4920E+00 H2 1926 1.008000 0.423800 5.1154E+00 4.6337E+00 -2.2565E+00 O6 1927 15.999400 -0.847600 -1.2371E+01 6.7405E+00 1.4902E+01 H1 1928 1.008000 0.423800 -1.1782E+01 6.0496E+00 1.5322E+01 H2 1929 1.008000 0.423800 -1.2362E+01 6.6277E+00 1.3909E+01 O6 1930 15.999400 -0.847600 1.3126E+01 -1.4291E+01 -6.4129E+00 H1 1931 1.008000 0.423800 1.3228E+01 -1.3301E+01 -6.5128E+00 H2 1932 1.008000 0.423800 1.2278E+01 -1.4491E+01 -5.9232E+00 O6 1933 15.999400 -0.847600 1.0484E+00 9.6699E+00 1.2839E+01 H1 1934 1.008000 0.423800 2.2616E-01 9.3461E+00 1.2371E+01 H2 1935 1.008000 0.423800 1.0523E+00 1.0670E+01 1.2853E+01 O6 1936 15.999400 -0.847600 -1.3722E+01 -8.1996E-01 1.7150E+01 H1 1937 1.008000 0.423800 -1.4006E+01 9.2375E-02 1.7445E+01 H2 1938 1.008000 0.423800 -1.2763E+01 -9.6554E-01 1.7393E+01 O6 1939 15.999400 -0.847600 9.2150E+00 -1.1528E+00 -6.2290E+00 H1 1940 1.008000 0.423800 9.0873E+00 -1.6215E-01 -6.1802E+00 H2 1941 1.008000 0.423800 1.0191E+01 -1.3606E+00 -6.2862E+00 O6 1942 15.999400 -0.847600 -5.8564E-01 -1.2737E+01 1.9117E+01 H1 1943 1.008000 0.423800 8.2793E-04 -1.2436E+01 -1.9228E+01 H2 1944 1.008000 0.423800 -6.8303E-01 -1.1996E+01 1.8454E+01 O6 1945 15.999400 -0.847600 9.5312E+00 1.4623E+00 1.8646E+01 H1 1946 1.008000 0.423800 9.4458E+00 1.2679E+00 -1.9474E+01 H2 1947 1.008000 0.423800 1.0144E+01 7.9340E-01 1.8226E+01 O6 1948 15.999400 -0.847600 -9.3697E+00 1.9480E+01 -7.7848E+00 H1 1949 1.008000 0.423800 -1.0112E+01 -1.8973E+01 -7.9693E+00 H2 1950 1.008000 0.423800 -9.3753E+00 1.9234E+01 -6.8155E+00 O6 1951 15.999400 -0.847600 -1.8852E+01 -1.2018E+01 1.0958E+01 H1 1952 1.008000 0.423800 1.9441E+01 -1.1872E+01 1.0382E+01 H2 1953 1.008000 0.423800 -1.8566E+01 -1.1147E+01 1.1357E+01 O6 1954 15.999400 -0.847600 -1.5160E+01 1.6345E+00 5.2033E+00 H1 1955 1.008000 0.423800 -1.5396E+01 1.1981E+00 4.3349E+00 H2 1956 1.008000 0.423800 -1.5523E+01 1.0896E+00 5.9592E+00 O6 1957 15.999400 -0.847600 -9.7494E+00 5.5057E-01 1.1085E+01 H1 1958 1.008000 0.423800 -9.1106E+00 2.2893E-01 1.1784E+01 H2 1959 1.008000 0.423800 -1.0507E+01 -9.6971E-02 1.1003E+01 O6 1960 15.999400 -0.847600 -1.2839E+01 1.1220E+01 -1.5050E+01 H1 1961 1.008000 0.423800 -1.3420E+01 1.1095E+01 -1.5853E+01 H2 1962 1.008000 0.423800 -1.3135E+01 1.0600E+01 -1.4324E+01 O6 1963 15.999400 -0.847600 9.5248E+00 1.0275E+01 -1.2253E+01 H1 1964 1.008000 0.423800 1.0292E+01 1.0487E+01 -1.2858E+01 H2 1965 1.008000 0.423800 9.8124E+00 9.5989E+00 -1.1575E+01 O6 1966 15.999400 -0.847600 9.1443E+00 -1.3211E+01 -9.9857E+00 H1 1967 1.008000 0.423800 9.9686E+00 -1.2705E+01 -1.0240E+01 H2 1968 1.008000 0.423800 9.2651E+00 -1.4178E+01 -1.0209E+01 O6 1969 15.999400 -0.847600 -1.5068E+01 1.8301E+01 -1.1632E+01 H1 1970 1.008000 0.423800 -1.4771E+01 1.8077E+01 -1.2561E+01 H2 1971 1.008000 0.423800 -1.4575E+01 1.7728E+01 -1.0978E+01 O6 1972 15.999400 -0.847600 -8.9544E+00 4.6717E+00 -1.6648E+01 H1 1973 1.008000 0.423800 -9.1542E+00 4.1004E+00 -1.7444E+01 H2 1974 1.008000 0.423800 -9.2968E+00 5.5975E+00 -1.6807E+01 O6 1975 15.999400 -0.847600 -1.1894E+01 1.7322E-01 -6.1988E+00 H1 1976 1.008000 0.423800 -1.1372E+01 9.6642E-01 -5.8856E+00 H2 1977 1.008000 0.423800 -1.1548E+01 -1.2401E-01 -7.0884E+00 O6 1978 15.999400 -0.847600 1.5983E+01 9.4482E+00 -1.2038E+01 H1 1979 1.008000 0.423800 1.5562E+01 9.8208E+00 -1.2865E+01 H2 1980 1.008000 0.423800 1.6979E+01 9.4770E+00 -1.2129E+01 O6 1981 15.999400 -0.847600 -1.1557E+01 1.5678E+01 3.1131E+00 H1 1982 1.008000 0.423800 -1.0839E+01 1.5074E+01 3.4601E+00 H2 1983 1.008000 0.423800 -1.2452E+01 1.5290E+01 3.3306E+00 O6 1984 15.999400 -0.847600 -4.7265E+00 7.7851E+00 -1.3372E+01 H1 1985 1.008000 0.423800 -4.9620E+00 7.8408E+00 -1.4343E+01 H2 1986 1.008000 0.423800 -4.9620E+00 8.6465E+00 -1.2922E+01 O6 1987 15.999400 -0.847600 -1.6452E+01 7.0996E+00 -1.6323E+00 H1 1988 1.008000 0.423800 -1.6897E+01 7.7754E+00 -2.2195E+00 H2 1989 1.008000 0.423800 -1.6274E+01 6.2673E+00 -2.1574E+00 O6 1990 15.999400 -0.847600 8.2356E+00 1.7162E+01 1.6605E+01 H1 1991 1.008000 0.423800 8.7725E+00 1.7122E+01 1.5762E+01 H2 1992 1.008000 0.423800 8.6674E+00 1.7797E+01 1.7245E+01 O6 1993 15.999400 -0.847600 1.4042E+01 5.6564E+00 9.0810E+00 H1 1994 1.008000 0.423800 1.4827E+01 5.3975E+00 9.6436E+00 H2 1995 1.008000 0.423800 1.4355E+01 6.1990E+00 8.3015E+00 O6 1996 15.999400 -0.847600 -1.6522E+01 -1.0416E+01 -1.7420E+01 H1 1997 1.008000 0.423800 -1.6920E+01 -1.1081E+01 -1.8052E+01 H2 1998 1.008000 0.423800 -1.7227E+01 -1.0091E+01 -1.6790E+01 O6 1999 15.999400 -0.847600 -5.2386E+00 2.0429E+00 1.9053E+01 H1 2000 1.008000 0.423800 -6.0827E+00 2.5703E+00 1.9150E+01 H2 2001 1.008000 0.423800 -5.3868E+00 1.2921E+00 1.8410E+01 O6 2002 15.999400 -0.847600 1.6881E+01 1.6412E+01 1.2618E+00 H1 2003 1.008000 0.423800 1.7678E+01 1.6127E+01 7.2869E-01 H2 2004 1.008000 0.423800 1.6493E+01 1.7243E+01 8.6217E-01 O6 2005 15.999400 -0.847600 4.0852E-01 -4.3668E-02 5.3981E+00 H1 2006 1.008000 0.423800 -4.7602E-01 4.0255E-01 5.5342E+00 H2 2007 1.008000 0.423800 1.1319E+00 6.4672E-01 5.3870E+00 O6 2008 15.999400 -0.847600 6.6420E+00 -1.1015E+01 -1.4122E+01 H1 2009 1.008000 0.423800 7.0626E+00 -1.1346E+01 -1.3277E+01 H2 2010 1.008000 0.423800 5.7461E+00 -1.0621E+01 -1.3917E+01 O6 2011 15.999400 -0.847600 1.0787E+01 -3.7702E+00 1.4723E+01 H1 2012 1.008000 0.423800 9.8083E+00 -3.9744E+00 1.4733E+01 H2 2013 1.008000 0.423800 1.1305E+01 -4.6123E+00 1.4874E+01 O6 2014 15.999400 -0.847600 -1.8192E+01 -5.5136E+00 1.5740E+01 H1 2015 1.008000 0.423800 -1.7733E+01 -5.3547E+00 1.4865E+01 H2 2016 1.008000 0.423800 -1.8105E+01 -6.4776E+00 1.5991E+01 O6 2017 15.999400 -0.847600 1.1658E+01 -1.4889E+01 1.5702E+01 H1 2018 1.008000 0.423800 1.1474E+01 -1.4096E+01 1.5120E+01 H2 2019 1.008000 0.423800 1.0997E+01 -1.5611E+01 1.5498E+01 O6 2020 15.999400 -0.847600 -1.0156E+01 1.1239E+01 7.8567E+00 H1 2021 1.008000 0.423800 -1.0364E+01 1.2139E+01 8.2411E+00 H2 2022 1.008000 0.423800 -9.3252E+00 1.1297E+01 7.3035E+00 O6 2023 15.999400 -0.847600 7.2785E+00 1.0686E+01 -1.0946E+01 H1 2024 1.008000 0.423800 8.1399E+00 1.0931E+01 -1.1391E+01 H2 2025 1.008000 0.423800 7.4685E+00 1.0288E+01 -1.0048E+01 O6 2026 15.999400 -0.847600 1.0529E+01 -1.6936E+01 -6.4619E+00 H1 2027 1.008000 0.423800 9.5872E+00 -1.7249E+01 -6.5846E+00 H2 2028 1.008000 0.423800 1.0582E+01 -1.6347E+01 -5.6553E+00 O6 2029 15.999400 -0.847600 -1.6862E+01 2.0943E+00 1.3920E+00 H1 2030 1.008000 0.423800 -1.7074E+01 1.1221E+00 1.4917E+00 H2 2031 1.008000 0.423800 -1.7150E+01 2.4070E+00 4.8700E-01 O6 2032 15.999400 -0.847600 1.8278E+01 1.9483E+01 1.4545E+01 H1 2033 1.008000 0.423800 1.8314E+01 1.8981E+01 1.5409E+01 H2 2034 1.008000 0.423800 1.7772E+01 1.8948E+01 1.3869E+01 O6 2035 15.999400 -0.847600 -3.5670E+00 4.1986E+00 9.3415E+00 H1 2036 1.008000 0.423800 -2.9252E+00 3.4320E+00 9.3168E+00 H2 2037 1.008000 0.423800 -4.2607E+00 4.0754E+00 8.6319E+00 O6 2038 15.999400 -0.847600 -1.3471E+01 -1.2879E+01 -3.3091E+00 H1 2039 1.008000 0.423800 -1.3802E+01 -1.3812E+01 -3.1685E+00 H2 2040 1.008000 0.423800 -1.4129E+01 -1.2372E+01 -3.8654E+00 O6 2041 15.999400 -0.847600 1.6131E+00 1.6333E+01 8.9739E+00 H1 2042 1.008000 0.423800 1.1075E+00 1.7195E+01 8.9340E+00 H2 2043 1.008000 0.423800 2.3902E+00 1.6373E+01 8.3458E+00 O6 2044 15.999400 -0.847600 -4.9534E+00 5.9994E+00 -8.6185E+00 H1 2045 1.008000 0.423800 -5.6816E+00 6.1619E+00 -9.2844E+00 H2 2046 1.008000 0.423800 -4.1542E+00 5.6199E+00 -9.0846E+00 O6 2047 15.999400 -0.847600 1.0722E+01 4.3463E+00 -1.9082E+01 H1 2048 1.008000 0.423800 9.7371E+00 4.4151E+00 -1.9243E+01 H2 2049 1.008000 0.423800 1.1140E+01 3.7937E+00 1.9295E+01 O6 2050 15.999400 -0.847600 -1.5020E+01 9.1178E-01 -8.7382E+00 H1 2051 1.008000 0.423800 -1.6006E+01 1.0752E+00 -8.7699E+00 H2 2052 1.008000 0.423800 -1.4789E+01 4.2771E-01 -7.8941E+00 O6 2053 15.999400 -0.847600 7.5171E+00 9.5695E+00 -8.4974E+00 H1 2054 1.008000 0.423800 7.6835E+00 1.0502E+01 -8.1754E+00 H2 2055 1.008000 0.423800 7.7779E+00 8.9190E+00 -7.7841E+00 O6 2056 15.999400 -0.847600 1.6611E+01 -1.5079E+01 -1.4146E+01 H1 2057 1.008000 0.423800 1.7230E+01 -1.5738E+01 -1.3717E+01 H2 2058 1.008000 0.423800 1.5935E+01 -1.5567E+01 -1.4697E+01 O6 2059 15.999400 -0.847600 -1.4372E+01 -8.8195E+00 1.1156E+01 H1 2060 1.008000 0.423800 -1.3840E+01 -9.4575E+00 1.0598E+01 H2 2061 1.008000 0.423800 -1.4109E+01 -7.8814E+00 1.0930E+01 O6 2062 15.999400 -0.847600 4.3379E+00 -1.1371E+01 6.6135E+00 H1 2063 1.008000 0.423800 3.9586E+00 -1.0449E+01 6.6945E+00 H2 2064 1.008000 0.423800 5.3346E+00 -1.1328E+01 6.6834E+00 O6 2065 15.999400 -0.847600 -2.1383E+00 8.1506E+00 1.7989E+01 H1 2066 1.008000 0.423800 -2.1348E+00 8.4564E+00 1.8941E+01 H2 2067 1.008000 0.423800 -1.5853E+00 8.7744E+00 1.7437E+01 O6 2068 15.999400 -0.847600 6.0077E+00 3.4271E+00 1.5535E+01 H1 2069 1.008000 0.423800 6.3679E+00 2.6447E+00 1.6043E+01 H2 2070 1.008000 0.423800 6.2302E+00 4.2717E+00 1.6022E+01 O6 2071 15.999400 -0.847600 -6.1589E+00 -6.3555E+00 2.0602E-01 H1 2072 1.008000 0.423800 -7.0265E+00 -6.4847E+00 -2.7430E-01 H2 2073 1.008000 0.423800 -5.4042E+00 -6.4146E+00 -4.4737E-01 O6 2074 15.999400 -0.847600 -6.8857E+00 -2.5445E+00 -1.3505E+01 H1 2075 1.008000 0.423800 -6.6843E+00 -3.5113E+00 -1.3348E+01 H2 2076 1.008000 0.423800 -7.4486E+00 -2.1954E+00 -1.2756E+01 O6 2077 15.999400 -0.847600 3.5573E+00 3.0202E+00 1.1496E+01 H1 2078 1.008000 0.423800 3.7123E+00 3.8290E+00 1.2063E+01 H2 2079 1.008000 0.423800 3.5725E+00 2.2020E+00 1.2071E+01 O6 2080 15.999400 -0.847600 -6.1580E+00 1.1419E+01 -1.6401E+01 H1 2081 1.008000 0.423800 -6.6117E+00 1.1424E+01 -1.5509E+01 H2 2082 1.008000 0.423800 -5.3549E+00 1.2014E+01 -1.6369E+01 O6 2083 15.999400 -0.847600 -2.5416E+00 2.4157E+00 1.3174E+01 H1 2084 1.008000 0.423800 -1.7627E+00 1.9245E+00 1.3564E+01 H2 2085 1.008000 0.423800 -2.7073E+00 2.0916E+00 1.2243E+01 O6 2086 15.999400 -0.847600 -5.0570E+00 3.2773E+00 7.0302E+00 H1 2087 1.008000 0.423800 -4.8251E+00 3.6521E+00 6.1326E+00 H2 2088 1.008000 0.423800 -6.0492E+00 3.2964E+00 7.1531E+00 O6 2089 15.999400 -0.847600 -6.8501E+00 1.4539E+00 5.3649E+00 H1 2090 1.008000 0.423800 -7.5614E+00 9.1043E-01 4.9191E+00 H2 2091 1.008000 0.423800 -6.6393E+00 1.0579E+00 6.2586E+00 O6 2092 15.999400 -0.847600 -1.7439E+01 -2.2335E+00 -1.0430E+01 H1 2093 1.008000 0.423800 -1.7431E+01 -2.6555E+00 -9.5234E+00 H2 2094 1.008000 0.423800 -1.7951E+01 -1.3753E+00 -1.0394E+01 O6 2095 15.999400 -0.847600 1.1158E+01 6.3943E+00 9.8320E+00 H1 2096 1.008000 0.423800 1.0788E+01 5.4689E+00 9.7512E+00 H2 2097 1.008000 0.423800 1.2137E+01 6.3801E+00 9.6305E+00 O6 2098 15.999400 -0.847600 -1.8652E+01 4.1082E+00 1.7626E+01 H1 2099 1.008000 0.423800 -1.8743E+01 3.1235E+00 1.7775E+01 H2 2100 1.008000 0.423800 -1.8897E+01 4.3264E+00 1.6682E+01 O6 2101 15.999400 -0.847600 -1.0313E+01 -1.2217E+01 2.9483E+00 H1 2102 1.008000 0.423800 -1.0525E+01 -1.2346E+01 1.9797E+00 H2 2103 1.008000 0.423800 -1.1066E+01 -1.2571E+01 3.5043E+00 O6 2104 15.999400 -0.847600 -3.6946E+00 -8.2179E+00 -7.4617E+00 H1 2105 1.008000 0.423800 -3.9838E+00 -9.0188E+00 -6.9373E+00 H2 2106 1.008000 0.423800 -4.2026E+00 -7.4147E+00 -7.1507E+00 O6 2107 15.999400 -0.847600 8.8170E+00 4.1101E-01 2.1897E+00 H1 2108 1.008000 0.423800 9.5626E+00 4.9799E-01 2.8504E+00 H2 2109 1.008000 0.423800 7.9464E+00 6.0386E-01 2.6422E+00 O6 2110 15.999400 -0.847600 1.9339E+01 -8.8415E+00 1.8736E+01 H1 2111 1.008000 0.423800 1.8860E+01 -9.5478E+00 1.8215E+01 H2 2112 1.008000 0.423800 1.9239E+01 -9.0232E+00 -1.9383E+01 O6 2113 15.999400 -0.847600 1.6180E+01 8.4631E+00 1.4495E+00 H1 2114 1.008000 0.423800 1.5202E+01 8.6510E+00 1.5372E+00 H2 2115 1.008000 0.423800 1.6351E+01 7.9795E+00 5.9099E-01 O6 2116 15.999400 -0.847600 -1.3916E+01 -1.7171E+01 -6.3473E-01 H1 2117 1.008000 0.423800 -1.3496E+01 -1.6832E+01 -1.4765E+00 H2 2118 1.008000 0.423800 -1.4422E+01 -1.8012E+01 -8.2992E-01 O6 2119 15.999400 -0.847600 8.6332E+00 1.6747E+01 7.1245E+00 H1 2120 1.008000 0.423800 8.4749E+00 1.7365E+01 7.8950E+00 H2 2121 1.008000 0.423800 8.5944E+00 1.5800E+01 7.4431E+00 O6 2122 15.999400 -0.847600 -3.8368E+00 1.6346E+01 1.0322E+01 H1 2123 1.008000 0.423800 -3.5065E+00 1.7289E+01 1.0337E+01 H2 2124 1.008000 0.423800 -3.4625E+00 1.5849E+01 1.1105E+01 O6 2125 15.999400 -0.847600 6.9890E+00 1.3799E+01 2.6023E+00 H1 2126 1.008000 0.423800 7.2869E+00 1.3326E+01 1.7729E+00 H2 2127 1.008000 0.423800 6.0341E+00 1.3570E+01 2.7915E+00 O6 2128 15.999400 -0.847600 1.4982E+01 9.5631E-01 1.3488E+01 H1 2129 1.008000 0.423800 1.4605E+01 4.2785E-01 1.2727E+01 H2 2130 1.008000 0.423800 1.5266E+01 1.8570E+00 1.3159E+01 O6 2131 15.999400 -0.847600 1.4134E+01 -5.8098E+00 -1.3520E+01 H1 2132 1.008000 0.423800 1.3274E+01 -5.8817E+00 -1.3015E+01 H2 2133 1.008000 0.423800 1.4738E+01 -6.5628E+00 -1.3258E+01 O6 2134 15.999400 -0.847600 -1.5077E+01 1.0410E+01 -2.0467E+00 H1 2135 1.008000 0.423800 -1.5918E+01 9.8719E+00 -2.1037E+00 H2 2136 1.008000 0.423800 -1.4705E+01 1.0350E+01 -1.1203E+00 O6 2137 15.999400 -0.847600 -5.1901E+00 8.1814E+00 7.5345E+00 H1 2138 1.008000 0.423800 -5.8212E+00 7.4090E+00 7.4622E+00 H2 2139 1.008000 0.423800 -5.6264E+00 9.0035E+00 7.1688E+00 O6 2140 15.999400 -0.847600 7.7920E+00 -1.6104E+01 7.7529E+00 H1 2141 1.008000 0.423800 6.9878E+00 -1.5622E+01 8.1010E+00 H2 2142 1.008000 0.423800 8.3579E+00 -1.5470E+01 7.2256E+00 O6 2143 15.999400 -0.847600 -1.6426E+01 1.1398E+01 1.1423E+01 H1 2144 1.008000 0.423800 -1.7371E+01 1.1703E+01 1.1305E+01 H2 2145 1.008000 0.423800 -1.5815E+01 1.2189E+01 1.1398E+01 O6 2146 15.999400 -0.847600 -6.1078E+00 -1.4773E+01 4.8063E+00 H1 2147 1.008000 0.423800 -6.9949E+00 -1.5075E+01 4.4566E+00 H2 2148 1.008000 0.423800 -5.4089E+00 -1.4910E+01 4.1042E+00 O6 2149 15.999400 -0.847600 -9.6778E+00 -1.7325E+01 -1.4496E+01 H1 2150 1.008000 0.423800 -1.0332E+01 -1.7387E+01 -1.5250E+01 H2 2151 1.008000 0.423800 -1.0112E+01 -1.6879E+01 -1.3714E+01 O6 2152 15.999400 -0.847600 -2.0975E-02 4.7238E+00 5.8812E+00 H1 2153 1.008000 0.423800 -7.2834E-01 4.6363E+00 5.1798E+00 H2 2154 1.008000 0.423800 -4.0369E-01 5.1782E+00 6.6856E+00 O6 2155 15.999400 -0.847600 -7.8645E+00 -3.4835E+00 9.6131E+00 H1 2156 1.008000 0.423800 -8.3174E+00 -2.8053E+00 9.0344E+00 H2 2157 1.008000 0.423800 -7.8373E+00 -4.3626E+00 9.1373E+00 O6 2158 15.999400 -0.847600 -8.1905E+00 1.6979E+01 1.7342E+01 H1 2159 1.008000 0.423800 -8.7750E+00 1.7612E+01 1.6835E+01 H2 2160 1.008000 0.423800 -8.2793E+00 1.7155E+01 1.8323E+01 O6 2161 15.999400 -0.847600 -6.4082E+00 -1.8536E+00 -1.6438E+01 H1 2162 1.008000 0.423800 -6.5259E+00 -1.9963E+00 -1.5456E+01 H2 2163 1.008000 0.423800 -5.9009E+00 -1.0059E+00 -1.6594E+01 O6 2164 15.999400 -0.847600 -3.3904E-01 1.5093E-01 -1.0933E+01 H1 2165 1.008000 0.423800 2.9235E-01 3.0904E-01 -1.0174E+01 H2 2166 1.008000 0.423800 -3.8106E-01 9.6850E-01 -1.1507E+01 O6 2167 15.999400 -0.847600 1.3388E+01 -9.8921E+00 -4.0111E+00 H1 2168 1.008000 0.423800 1.2812E+01 -9.0990E+00 -4.2087E+00 H2 2169 1.008000 0.423800 1.4124E+01 -9.6227E+00 -3.3904E+00 O6 2170 15.999400 -0.847600 -6.3696E+00 1.1865E+01 1.1515E+01 H1 2171 1.008000 0.423800 -7.2683E+00 1.2299E+01 1.1450E+01 H2 2172 1.008000 0.423800 -5.7288E+00 1.2492E+01 1.1960E+01 O6 2173 15.999400 -0.847600 -1.3719E+00 8.9434E+00 1.1277E+01 H1 2174 1.008000 0.423800 -2.0506E+00 8.6848E+00 1.1964E+01 H2 2175 1.008000 0.423800 -1.8364E+00 9.1912E+00 1.0427E+01 O6 2176 15.999400 -0.847600 4.7419E+00 6.8310E+00 1.8099E+01 H1 2177 1.008000 0.423800 3.9954E+00 6.1693E+00 1.8029E+01 H2 2178 1.008000 0.423800 5.6180E+00 6.3529E+00 1.8036E+01 O6 2179 15.999400 -0.847600 1.2100E+01 1.5039E+00 -5.4563E+00 H1 2180 1.008000 0.423800 1.1394E+01 1.3574E+00 -4.7630E+00 H2 2181 1.008000 0.423800 1.3002E+01 1.4557E+00 -5.0287E+00 O6 2182 15.999400 -0.847600 1.4198E+01 1.6188E+01 -1.8501E+01 H1 2183 1.008000 0.423800 1.3984E+01 1.5322E+01 -1.8952E+01 H2 2184 1.008000 0.423800 1.4632E+01 1.6807E+01 -1.9156E+01 O6 2185 15.999400 -0.847600 -5.4385E+00 -1.5346E+01 -1.3997E+01 H1 2186 1.008000 0.423800 -5.8992E+00 -1.4594E+01 -1.3525E+01 H2 2187 1.008000 0.423800 -5.4197E+00 -1.5160E+01 -1.4980E+01 O6 2188 15.999400 -0.847600 8.3198E-01 5.0819E+00 1.8228E+00 H1 2189 1.008000 0.423800 1.4971E-01 5.4807E+00 1.2100E+00 H2 2190 1.008000 0.423800 1.0469E+00 5.7329E+00 2.5509E+00 O6 2191 15.999400 -0.847600 8.4780E-01 -4.5467E+00 1.8440E+01 H1 2192 1.008000 0.423800 3.3332E-01 -3.6892E+00 1.8451E+01 H2 2193 1.008000 0.423800 3.9049E-01 -5.2171E+00 1.9024E+01 O6 2194 15.999400 -0.847600 -1.3182E+01 1.6714E+01 1.2516E+01 H1 2195 1.008000 0.423800 -1.3225E+01 1.7475E+01 1.3164E+01 H2 2196 1.008000 0.423800 -1.2737E+01 1.5931E+01 1.2950E+01 O6 2197 15.999400 -0.847600 4.2484E+00 8.2590E+00 -1.3727E+01 H1 2198 1.008000 0.423800 4.9741E+00 8.3118E+00 -1.3041E+01 H2 2199 1.008000 0.423800 3.5546E+00 8.9524E+00 -1.3532E+01 O6 2200 15.999400 -0.847600 -1.0210E+01 -1.6239E+01 1.2401E+01 H1 2201 1.008000 0.423800 -9.4818E+00 -1.6089E+01 1.1732E+01 H2 2202 1.008000 0.423800 -1.0901E+01 -1.6848E+01 1.2011E+01 O6 2203 15.999400 -0.847600 1.6783E+01 7.2887E+00 1.0763E+01 H1 2204 1.008000 0.423800 1.7407E+01 8.0429E+00 1.0558E+01 H2 2205 1.008000 0.423800 1.7025E+01 6.4951E+00 1.0205E+01 O6 2206 15.999400 -0.847600 -8.6800E-01 -1.3515E+01 5.2023E+00 H1 2207 1.008000 0.423800 -1.3612E+00 -1.2844E+01 5.7556E+00 H2 2208 1.008000 0.423800 -7.0357E-01 -1.3139E+01 4.2904E+00 O6 2209 15.999400 -0.847600 7.8724E+00 1.9117E+00 1.3944E+01 H1 2210 1.008000 0.423800 8.5857E+00 2.5597E+00 1.4210E+01 H2 2211 1.008000 0.423800 6.9770E+00 2.3495E+00 1.4025E+01 O6 2212 15.999400 -0.847600 1.3150E+01 1.5534E+01 4.6202E+00 H1 2213 1.008000 0.423800 1.3002E+01 1.5337E+01 3.6511E+00 H2 2214 1.008000 0.423800 1.4052E+01 1.5949E+01 4.7414E+00 O6 2215 15.999400 -0.847600 -3.0908E+00 -1.3887E+01 -1.9270E+01 H1 2216 1.008000 0.423800 -2.2153E+00 -1.3820E+01 1.9349E+01 H2 2217 1.008000 0.423800 -3.8014E+00 -1.4171E+01 1.9184E+01 O6 2218 15.999400 -0.847600 -1.5500E+01 -1.1249E+01 -9.7954E+00 H1 2219 1.008000 0.423800 -1.6072E+01 -1.1662E+01 -9.0871E+00 H2 2220 1.008000 0.423800 -1.4939E+01 -1.1956E+01 -1.0226E+01 O6 2221 15.999400 -0.847600 -1.7350E+01 8.9500E+00 -3.2135E+00 H1 2222 1.008000 0.423800 -1.7505E+01 9.3554E+00 -4.1144E+00 H2 2223 1.008000 0.423800 -1.7892E+01 9.4396E+00 -2.5301E+00 O6 2224 15.999400 -0.847600 1.1314E+01 -1.0403E+01 -7.7659E+00 H1 2225 1.008000 0.423800 1.0427E+01 -1.0864E+01 -7.7643E+00 H2 2226 1.008000 0.423800 1.1312E+01 -9.6791E+00 -8.4558E+00 O6 2227 15.999400 -0.847600 1.1674E+01 -5.7458E+00 1.1291E+01 H1 2228 1.008000 0.423800 1.1680E+01 -6.7336E+00 1.1135E+01 H2 2229 1.008000 0.423800 1.0816E+01 -5.3605E+00 1.0952E+01 O6 2230 15.999400 -0.847600 -1.4515E+01 9.9517E+00 4.6986E+00 H1 2231 1.008000 0.423800 -1.5147E+01 9.6402E+00 5.4074E+00 H2 2232 1.008000 0.423800 -1.4853E+01 9.6679E+00 3.8014E+00 O6 2233 15.999400 -0.847600 -1.8354E+01 1.2050E+01 3.1314E+00 H1 2234 1.008000 0.423800 -1.8793E+01 1.2527E+01 3.8929E+00 H2 2235 1.008000 0.423800 -1.8444E+01 1.1062E+01 3.2611E+00 O6 2236 15.999400 -0.847600 -7.2093E+00 9.8666E+00 -9.9874E+00 H1 2237 1.008000 0.423800 -8.1971E+00 1.0011E+01 -1.0048E+01 H2 2238 1.008000 0.423800 -6.9029E+00 1.0045E+01 -9.0525E+00 O6 2239 15.999400 -0.847600 -5.8691E+00 -1.5650E+01 -4.7334E+00 H1 2240 1.008000 0.423800 -6.0907E+00 -1.5002E+01 -4.0050E+00 H2 2241 1.008000 0.423800 -6.0845E+00 -1.6579E+01 -4.4302E+00 O6 2242 15.999400 -0.847600 1.2151E+01 3.6813E+00 7.4555E+00 H1 2243 1.008000 0.423800 1.2847E+01 4.3844E+00 7.3088E+00 H2 2244 1.008000 0.423800 1.1710E+01 3.8287E+00 8.3408E+00 O6 2245 15.999400 -0.847600 -1.3202E+00 -1.1197E+01 -8.3053E+00 H1 2246 1.008000 0.423800 -1.2533E+00 -1.0208E+01 -8.1765E+00 H2 2247 1.008000 0.423800 -2.2770E+00 -1.1479E+01 -8.2325E+00 O6 2248 15.999400 -0.847600 1.6127E+01 1.7382E+01 -9.3142E+00 H1 2249 1.008000 0.423800 1.6265E+01 1.6740E+01 -8.5602E+00 H2 2250 1.008000 0.423800 1.6359E+01 1.6936E+01 -1.0179E+01 O6 2251 15.999400 -0.847600 -1.1764E+01 -6.3272E+00 1.3266E+01 H1 2252 1.008000 0.423800 -1.1480E+01 -7.2252E+00 1.2930E+01 H2 2253 1.008000 0.423800 -1.1771E+01 -5.6742E+00 1.2509E+01 O6 2254 15.999400 -0.847600 -9.8331E+00 2.7355E-01 -1.1064E+00 H1 2255 1.008000 0.423800 -9.7869E+00 -5.0998E-01 -1.7261E+00 H2 2256 1.008000 0.423800 -8.9590E+00 7.5909E-01 -1.1174E+00 O6 2257 15.999400 -0.847600 -1.8794E+01 -1.6537E+01 -9.2661E+00 H1 2258 1.008000 0.423800 -1.9463E+01 -1.7249E+01 -9.0499E+00 H2 2259 1.008000 0.423800 -1.8690E+01 -1.6468E+01 -1.0258E+01 O6 2260 15.999400 -0.847600 -1.4380E+01 3.0542E+00 -1.8719E+01 H1 2261 1.008000 0.423800 -1.3800E+01 3.4627E+00 -1.8014E+01 H2 2262 1.008000 0.423800 -1.5175E+01 3.6399E+00 -1.8877E+01 O6 2263 15.999400 -0.847600 1.5705E+01 1.8546E+01 -4.7631E+00 H1 2264 1.008000 0.423800 1.5758E+01 1.9177E+01 -5.5365E+00 H2 2265 1.008000 0.423800 1.6306E+01 1.8865E+01 -4.0304E+00 O6 2266 15.999400 -0.847600 -1.4136E+01 2.8913E+00 5.4572E-01 H1 2267 1.008000 0.423800 -1.5033E+01 2.7703E+00 9.6968E-01 H2 2268 1.008000 0.423800 -1.4096E+01 2.3682E+00 -3.0566E-01 O6 2269 15.999400 -0.847600 5.5366E+00 -1.2968E+01 -1.5490E+01 H1 2270 1.008000 0.423800 5.9133E+00 -1.2323E+01 -1.4825E+01 H2 2271 1.008000 0.423800 6.2405E+00 -1.3630E+01 -1.5748E+01 O6 2272 15.999400 -0.847600 -3.2169E+00 -1.6657E+01 1.1214E+01 H1 2273 1.008000 0.423800 -4.1332E+00 -1.6978E+01 1.1454E+01 H2 2274 1.008000 0.423800 -2.8808E+00 -1.6043E+01 1.1928E+01 O6 2275 15.999400 -0.847600 -1.5826E+01 5.3334E+00 1.5196E+01 H1 2276 1.008000 0.423800 -1.6774E+01 5.0218E+00 1.5127E+01 H2 2277 1.008000 0.423800 -1.5576E+01 5.8267E+00 1.4363E+01 O6 2278 15.999400 -0.847600 -6.3801E+00 1.6288E+01 1.1004E+01 H1 2279 1.008000 0.423800 -5.4185E+00 1.6235E+01 1.0735E+01 H2 2280 1.008000 0.423800 -6.6345E+00 1.7244E+01 1.1147E+01 O6 2281 15.999400 -0.847600 8.6876E+00 -1.2779E+01 1.4718E+01 H1 2282 1.008000 0.423800 8.8901E+00 -1.2647E+01 1.5689E+01 H2 2283 1.008000 0.423800 8.4748E+00 -1.1897E+01 1.4299E+01 O6 2284 15.999400 -0.847600 2.6811E+00 1.4652E+01 -1.2177E+01 H1 2285 1.008000 0.423800 3.5444E+00 1.4567E+01 -1.2675E+01 H2 2286 1.008000 0.423800 2.1783E+00 1.3789E+01 -1.2232E+01 O6 2287 15.999400 -0.847600 9.8262E+00 1.3859E+01 -9.7473E+00 H1 2288 1.008000 0.423800 1.0811E+01 1.3832E+01 -9.9204E+00 H2 2289 1.008000 0.423800 9.3819E+00 1.4428E+01 -1.0439E+01 O6 2290 15.999400 -0.847600 -1.9205E+01 -7.8055E+00 -9.3132E+00 H1 2291 1.008000 0.423800 -1.8480E+01 -8.4885E+00 -9.2249E+00 H2 2292 1.008000 0.423800 -1.8961E+01 -7.1515E+00 -1.0029E+01 O6 2293 15.999400 -0.847600 1.7389E+00 -1.1942E+01 3.1178E+00 H1 2294 1.008000 0.423800 2.5320E+00 -1.2542E+01 3.2231E+00 H2 2295 1.008000 0.423800 2.0414E+00 -1.0989E+01 3.1042E+00 O6 2296 15.999400 -0.847600 -2.2158E+00 -8.6113E+00 -2.2342E+00 H1 2297 1.008000 0.423800 -1.9130E+00 -9.4914E+00 -2.5998E+00 H2 2298 1.008000 0.423800 -1.7484E+00 -8.4313E+00 -1.3687E+00 O6 2299 15.999400 -0.847600 1.1460E+01 -8.3668E+00 -1.8087E+01 H1 2300 1.008000 0.423800 1.1596E+01 -8.4181E+00 -1.9077E+01 H2 2301 1.008000 0.423800 1.1692E+01 -7.4484E+00 -1.7766E+01 O6 2302 15.999400 -0.847600 -1.0453E+01 2.7282E+00 1.3050E+01 H1 2303 1.008000 0.423800 -9.7198E+00 3.2357E+00 1.3503E+01 H2 2304 1.008000 0.423800 -1.0056E+01 2.0637E+00 1.2417E+01 O6 2305 15.999400 -0.847600 3.0003E+00 -9.0293E-01 -6.4965E+00 H1 2306 1.008000 0.423800 3.0342E+00 -5.1463E-01 -5.5756E+00 H2 2307 1.008000 0.423800 2.6151E+00 -1.8248E+00 -6.4555E+00 O6 2308 15.999400 -0.847600 -2.5616E+00 2.5935E+00 1.8080E+01 H1 2309 1.008000 0.423800 -3.5490E+00 2.4877E+00 1.8198E+01 H2 2310 1.008000 0.423800 -2.0893E+00 2.2274E+00 1.8882E+01 O6 2311 15.999400 -0.847600 7.3268E+00 -1.1871E+01 -1.1716E+01 H1 2312 1.008000 0.423800 7.9022E+00 -1.2388E+01 -1.1081E+01 H2 2313 1.008000 0.423800 6.8760E+00 -1.1126E+01 -1.1225E+01 O6 2314 15.999400 -0.847600 -3.4034E+00 -1.6407E+00 1.5608E+01 H1 2315 1.008000 0.423800 -2.8406E+00 -1.6636E+00 1.4782E+01 H2 2316 1.008000 0.423800 -3.0148E+00 -2.2570E+00 1.6293E+01 O6 2317 15.999400 -0.847600 -4.9720E+00 -1.4301E+01 -1.6556E+01 H1 2318 1.008000 0.423800 -4.6909E+00 -1.3879E+01 -1.7418E+01 H2 2319 1.008000 0.423800 -5.8404E+00 -1.4779E+01 -1.6687E+01 O6 2320 15.999400 -0.847600 -6.5052E+00 -1.1964E+01 1.8739E+01 H1 2321 1.008000 0.423800 -5.6454E+00 -1.1460E+01 1.8654E+01 H2 2322 1.008000 0.423800 -7.0390E+00 -1.1586E+01 1.9496E+01 O6 2323 15.999400 -0.847600 9.7126E+00 -1.5086E+01 -1.2123E+01 H1 2324 1.008000 0.423800 9.6762E+00 -1.4737E+01 -1.3059E+01 H2 2325 1.008000 0.423800 1.0635E+01 -1.5420E+01 -1.1927E+01 O6 2326 15.999400 -0.847600 1.0262E+01 -5.0284E+00 -6.8236E+00 H1 2327 1.008000 0.423800 1.0678E+01 -4.3110E+00 -6.2651E+00 H2 2328 1.008000 0.423800 1.0085E+01 -4.6753E+00 -7.7424E+00 O6 2329 15.999400 -0.847600 1.1538E+01 1.5604E+01 1.4913E+01 H1 2330 1.008000 0.423800 1.0871E+01 1.6210E+01 1.4480E+01 H2 2331 1.008000 0.423800 1.1595E+01 1.4748E+01 1.4400E+01 O6 2332 15.999400 -0.847600 -1.6939E+01 -1.5329E+01 4.4479E+00 H1 2333 1.008000 0.423800 -1.6595E+01 -1.6253E+01 4.2859E+00 H2 2334 1.008000 0.423800 -1.7306E+01 -1.4955E+01 3.5958E+00 O6 2335 15.999400 -0.847600 -9.0268E+00 -1.6225E+00 7.8564E+00 H1 2336 1.008000 0.423800 -9.8544E+00 -1.0974E+00 8.0550E+00 H2 2337 1.008000 0.423800 -9.0668E+00 -1.9654E+00 6.9179E+00 O6 2338 15.999400 -0.847600 1.2696E+01 1.7457E+01 -1.3049E+01 H1 2339 1.008000 0.423800 1.2489E+01 1.6489E+01 -1.2907E+01 H2 2340 1.008000 0.423800 1.3606E+01 1.7548E+01 -1.3454E+01 O6 2341 15.999400 -0.847600 -1.1334E+01 -8.6550E+00 8.4062E+00 H1 2342 1.008000 0.423800 -1.1255E+01 -8.4284E+00 7.4354E+00 H2 2343 1.008000 0.423800 -1.0465E+01 -9.0279E+00 8.7331E+00 O6 2344 15.999400 -0.847600 -1.6527E+01 1.0471E+01 -1.7392E+01 H1 2345 1.008000 0.423800 -1.7403E+01 1.0769E+01 -1.7771E+01 H2 2346 1.008000 0.423800 -1.6386E+01 9.5033E+00 -1.7601E+01 O6 2347 15.999400 -0.847600 1.4559E+01 -1.5581E+01 -8.4887E+00 H1 2348 1.008000 0.423800 1.3987E+01 -1.6086E+01 -9.1351E+00 H2 2349 1.008000 0.423800 1.3977E+01 -1.5116E+01 -7.8219E+00 O6 2350 15.999400 -0.847600 -7.7131E+00 1.7845E+00 -8.7041E-01 H1 2351 1.008000 0.423800 -8.2546E+00 2.2057E+00 -1.4282E-01 H2 2352 1.008000 0.423800 -7.0884E+00 2.4632E+00 -1.2565E+00 O6 2353 15.999400 -0.847600 1.6050E+01 5.3829E+00 -1.3457E+01 H1 2354 1.008000 0.423800 1.6410E+01 5.1090E+00 -1.2566E+01 H2 2355 1.008000 0.423800 1.5302E+01 6.0341E+00 -1.3328E+01 O6 2356 15.999400 -0.847600 -3.0378E+00 -2.4801E+00 -1.7912E+01 H1 2357 1.008000 0.423800 -3.4961E+00 -1.7733E+00 -1.7373E+01 H2 2358 1.008000 0.423800 -3.4802E+00 -2.5573E+00 -1.8805E+01 O6 2359 15.999400 -0.847600 -1.8254E+01 -1.8325E+01 1.0381E+01 H1 2360 1.008000 0.423800 -1.9166E+01 -1.8724E+01 1.0288E+01 H2 2361 1.008000 0.423800 -1.8334E+01 -1.7373E+01 1.0676E+01 O6 2362 15.999400 -0.847600 -1.5397E+01 7.1774E+00 -1.1567E+01 H1 2363 1.008000 0.423800 -1.5119E+01 7.8855E+00 -1.2216E+01 H2 2364 1.008000 0.423800 -1.4904E+01 6.3304E+00 -1.1766E+01 O6 2365 15.999400 -0.847600 -1.8581E+01 9.8615E+00 1.7730E+01 H1 2366 1.008000 0.423800 -1.7786E+01 9.4107E+00 1.7324E+01 H2 2367 1.008000 0.423800 -1.9264E+01 9.1742E+00 1.7976E+01 O6 2368 15.999400 -0.847600 -6.3816E+00 1.8706E+01 -5.1910E+00 H1 2369 1.008000 0.423800 -6.5010E+00 1.8447E+01 -6.1494E+00 H2 2370 1.008000 0.423800 -5.9411E+00 -1.9495E+01 -5.1408E+00 O6 2371 15.999400 -0.847600 -3.5072E+00 6.1360E+00 1.5639E+01 H1 2372 1.008000 0.423800 -3.1740E+00 6.4306E+00 1.6534E+01 H2 2373 1.008000 0.423800 -4.4728E+00 6.3786E+00 1.5546E+01 O6 2374 15.999400 -0.847600 -1.8442E+00 1.5929E+00 5.8949E+00 H1 2375 1.008000 0.423800 -2.8077E+00 1.4427E+00 5.6732E+00 H2 2376 1.008000 0.423800 -1.5219E+00 2.4211E+00 5.4364E+00 O6 2377 15.999400 -0.847600 -1.3610E+01 1.6674E+01 9.7631E+00 H1 2378 1.008000 0.423800 -1.2752E+01 1.6687E+01 9.2500E+00 H2 2379 1.008000 0.423800 -1.3429E+01 1.6901E+01 1.0720E+01 O6 2380 15.999400 -0.847600 -1.4772E+01 -6.4679E+00 -1.5215E+01 H1 2381 1.008000 0.423800 -1.4589E+01 -7.2088E+00 -1.5861E+01 H2 2382 1.008000 0.423800 -1.5731E+01 -6.5011E+00 -1.4933E+01 O6 2383 15.999400 -0.847600 1.4157E+01 1.1200E+01 6.2906E+00 H1 2384 1.008000 0.423800 1.3973E+01 1.2081E+01 6.7273E+00 H2 2385 1.008000 0.423800 1.4075E+01 1.0469E+01 6.9676E+00 O6 2386 15.999400 -0.847600 4.5874E+00 9.2008E+00 8.0402E+00 H1 2387 1.008000 0.423800 4.7049E+00 9.3525E+00 7.0588E+00 H2 2388 1.008000 0.423800 5.4628E+00 8.9345E+00 8.4435E+00 O6 2389 15.999400 -0.847600 1.6250E+01 -1.0242E+01 -1.4208E+01 H1 2390 1.008000 0.423800 1.7001E+01 -9.5812E+00 -1.4192E+01 H2 2391 1.008000 0.423800 1.5572E+01 -9.9601E+00 -1.4886E+01 O6 2392 15.999400 -0.847600 1.4571E+01 7.2970E-01 -4.2613E+00 H1 2393 1.008000 0.423800 1.5134E+01 1.4800E+00 -3.9153E+00 H2 2394 1.008000 0.423800 1.4538E+01 -3.2631E-03 -3.5818E+00 O6 2395 15.999400 -0.847600 9.1801E+00 -9.2743E-01 -2.2153E+00 H1 2396 1.008000 0.423800 9.0663E+00 -1.1102E+00 -1.2387E+00 H2 2397 1.008000 0.423800 9.0233E+00 -1.7689E+00 -2.7324E+00 O6 2398 15.999400 -0.847600 -5.7737E+00 3.3659E+00 -1.8647E+00 H1 2399 1.008000 0.423800 -4.9133E+00 3.8726E+00 -1.9205E+00 H2 2400 1.008000 0.423800 -5.7770E+00 2.6383E+00 -2.5506E+00 O6 2401 15.999400 -0.847600 -1.7423E+01 1.0696E+01 -5.6603E+00 H1 2402 1.008000 0.423800 -1.6563E+01 1.1156E+01 -5.4423E+00 H2 2403 1.008000 0.423800 -1.7267E+01 1.0021E+01 -6.3813E+00 O6 2404 15.999400 -0.847600 1.6739E+01 -4.4704E-01 -1.4613E+00 H1 2405 1.008000 0.423800 1.5758E+01 -3.1965E-01 -1.6036E+00 H2 2406 1.008000 0.423800 1.7157E+01 4.2813E-01 -1.2172E+00 O6 2407 15.999400 -0.847600 -7.2537E+00 -1.9167E+01 -9.2342E+00 H1 2408 1.008000 0.423800 -7.8459E+00 -1.9366E+01 -8.4532E+00 H2 2409 1.008000 0.423800 -7.8142E+00 -1.9029E+01 -1.0051E+01 O6 2410 15.999400 -0.847600 1.8338E+01 3.7025E+00 -1.4927E+01 H1 2411 1.008000 0.423800 1.8465E+01 2.9211E+00 -1.5538E+01 H2 2412 1.008000 0.423800 1.7621E+01 4.2974E+00 -1.5292E+01 O6 2413 15.999400 -0.847600 -1.3741E+01 1.4078E+01 3.2151E+00 H1 2414 1.008000 0.423800 -1.3810E+01 1.3653E+01 2.3124E+00 H2 2415 1.008000 0.423800 -1.4628E+01 1.4460E+01 3.4721E+00 O6 2416 15.999400 -0.847600 -6.2024E+00 6.2119E-01 2.0646E+00 H1 2417 1.008000 0.423800 -5.6139E+00 1.1931E+00 2.6361E+00 H2 2418 1.008000 0.423800 -7.0238E+00 1.1337E+00 1.8144E+00 O6 2419 15.999400 -0.847600 1.4214E+01 -1.0911E+01 7.8856E+00 H1 2420 1.008000 0.423800 1.4447E+01 -1.0952E+01 6.9140E+00 H2 2421 1.008000 0.423800 1.4255E+01 -1.1831E+01 8.2772E+00 O6 2422 15.999400 -0.847600 -1.1236E+01 -1.0836E+01 1.2340E+01 H1 2423 1.008000 0.423800 -1.1711E+01 -1.1031E+01 1.1483E+01 H2 2424 1.008000 0.423800 -1.0354E+01 -1.1308E+01 1.2348E+01 O6 2425 15.999400 -0.847600 -1.0121E+01 7.3076E+00 -6.1323E+00 H1 2426 1.008000 0.423800 -9.2730E+00 6.8283E+00 -6.3580E+00 H2 2427 1.008000 0.423800 -1.0903E+01 6.7490E+00 -6.4085E+00 O6 2428 15.999400 -0.847600 -1.4474E+01 -8.2391E+00 5.4672E-01 H1 2429 1.008000 0.423800 -1.4570E+01 -7.2439E+00 5.7075E-01 H2 2430 1.008000 0.423800 -1.3753E+01 -8.4893E+00 -9.9665E-02 O6 2431 15.999400 -0.847600 1.9450E+00 9.2485E+00 6.3347E+00 H1 2432 1.008000 0.423800 2.1401E+00 9.5717E+00 7.2607E+00 H2 2433 1.008000 0.423800 2.0718E+00 8.2574E+00 6.2941E+00 O6 2434 15.999400 -0.847600 9.5541E+00 -3.4028E+00 6.9418E+00 H1 2435 1.008000 0.423800 9.5334E+00 -3.1505E+00 5.9743E+00 H2 2436 1.008000 0.423800 8.8653E+00 -2.8750E+00 7.4387E+00 O6 2437 15.999400 -0.847600 -1.7443E+01 -1.3838E+01 1.7631E+01 H1 2438 1.008000 0.423800 -1.7424E+01 -1.2945E+01 1.7182E+01 H2 2439 1.008000 0.423800 -1.6609E+01 -1.4342E+01 1.7408E+01 O6 2440 15.999400 -0.847600 1.6696E+01 -7.0198E+00 1.0835E+01 H1 2441 1.008000 0.423800 1.6632E+01 -6.0775E+00 1.0506E+01 H2 2442 1.008000 0.423800 1.6350E+01 -7.6419E+00 1.0132E+01 O6 2443 15.999400 -0.847600 3.3120E+00 1.9416E+01 1.9470E+01 H1 2444 1.008000 0.423800 2.4669E+00 1.9135E+01 1.9015E+01 H2 2445 1.008000 0.423800 4.0483E+00 1.8786E+01 1.9225E+01 O6 2446 15.999400 -0.847600 4.3534E-01 3.5931E+00 1.0609E+01 H1 2447 1.008000 0.423800 1.0462E-01 4.4930E+00 1.0893E+01 H2 2448 1.008000 0.423800 1.4254E+00 3.5449E+00 1.0740E+01 O6 2449 15.999400 -0.847600 1.6680E+01 -9.7337E+00 -8.5573E+00 H1 2450 1.008000 0.423800 1.7421E+01 -1.0150E+01 -9.0839E+00 H2 2451 1.008000 0.423800 1.5924E+01 -1.0383E+01 -8.4741E+00 O6 2452 15.999400 -0.847600 -1.4934E+01 2.1946E+00 -4.6076E+00 H1 2453 1.008000 0.423800 -1.5066E+01 1.4802E+00 -5.2948E+00 H2 2454 1.008000 0.423800 -1.5000E+01 1.7941E+00 -3.6937E+00 O6 2455 15.999400 -0.847600 -6.9395E+00 -5.1628E+00 -8.6833E+00 H1 2456 1.008000 0.423800 -7.8439E+00 -4.7433E+00 -8.7609E+00 H2 2457 1.008000 0.423800 -6.6522E+00 -5.1607E+00 -7.7254E+00 O6 2458 15.999400 -0.847600 -3.1643E+00 -1.6980E+01 -7.2627E-02 H1 2459 1.008000 0.423800 -2.5098E+00 -1.6543E+01 5.4401E-01 H2 2460 1.008000 0.423800 -2.7376E+00 -1.7777E+01 -5.0099E-01 O6 2461 15.999400 -0.847600 -1.3530E+01 9.0009E+00 -3.9075E+00 H1 2462 1.008000 0.423800 -1.3986E+01 9.5335E+00 -3.1948E+00 H2 2463 1.008000 0.423800 -1.3875E+01 8.0624E+00 -3.8947E+00 O6 2464 15.999400 -0.847600 -1.3676E+01 8.2185E+00 -1.5985E+01 H1 2465 1.008000 0.423800 -1.3874E+01 7.5609E+00 -1.5258E+01 H2 2466 1.008000 0.423800 -1.4378E+01 8.1534E+00 -1.6694E+01 O6 2467 15.999400 -0.847600 -1.6718E+01 1.7447E+01 -1.6224E+01 H1 2468 1.008000 0.423800 -1.7001E+01 1.7375E+01 -1.7180E+01 H2 2469 1.008000 0.423800 -1.7334E+01 1.8068E+01 -1.5739E+01 O6 2470 15.999400 -0.847600 1.1884E+01 3.4556E+00 -7.1702E+00 H1 2471 1.008000 0.423800 1.0931E+01 3.7423E+00 -7.2690E+00 H2 2472 1.008000 0.423800 1.1940E+01 2.7062E+00 -6.5105E+00 O6 2473 15.999400 -0.847600 5.0150E-01 8.8900E+00 8.2944E-01 H1 2474 1.008000 0.423800 5.1959E-01 9.3436E+00 -6.1614E-02 H2 2475 1.008000 0.423800 1.8186E-02 8.0182E+00 7.4984E-01 O6 2476 15.999400 -0.847600 -7.1263E+00 1.7139E+00 -1.2296E+01 H1 2477 1.008000 0.423800 -6.6062E+00 2.5652E+00 -1.2365E+01 H2 2478 1.008000 0.423800 -6.5302E+00 9.4073E-01 -1.2513E+01 O6 2479 15.999400 -0.847600 5.1599E+00 -1.7241E+01 9.7736E+00 H1 2480 1.008000 0.423800 5.1724E+00 -1.6584E+01 1.0527E+01 H2 2481 1.008000 0.423800 4.2702E+00 -1.7697E+01 9.7434E+00 O6 2482 15.999400 -0.847600 -1.4626E+01 9.2229E+00 1.8235E+01 H1 2483 1.008000 0.423800 -1.5094E+01 1.0105E+01 1.8197E+01 H2 2484 1.008000 0.423800 -1.4979E+01 8.6264E+00 1.7515E+01 O6 2485 15.999400 -0.847600 1.4809E+01 7.0602E+00 -1.7789E+01 H1 2486 1.008000 0.423800 1.3990E+01 6.6464E+00 -1.7391E+01 H2 2487 1.008000 0.423800 1.4939E+01 6.7160E+00 -1.8718E+01 O6 2488 15.999400 -0.847600 -7.4219E+00 -3.7355E+00 1.7996E+00 H1 2489 1.008000 0.423800 -6.6175E+00 -3.3447E+00 1.3520E+00 H2 2490 1.008000 0.423800 -7.1497E+00 -4.5343E+00 2.3360E+00 O6 2491 15.999400 -0.847600 -1.3389E+01 5.5437E+00 9.1732E-01 H1 2492 1.008000 0.423800 -1.3838E+01 4.6656E+00 7.5155E-01 H2 2493 1.008000 0.423800 -1.3698E+01 6.2091E+00 2.3758E-01 O6 2494 15.999400 -0.847600 7.1258E+00 -1.3661E+01 -5.1844E+00 H1 2495 1.008000 0.423800 6.6380E+00 -1.2886E+01 -5.5864E+00 H2 2496 1.008000 0.423800 8.0508E+00 -1.3378E+01 -4.9313E+00 O6 2497 15.999400 -0.847600 -1.5108E+01 -9.9542E+00 5.7211E+00 H1 2498 1.008000 0.423800 -1.5229E+01 -1.0860E+01 5.3156E+00 H2 2499 1.008000 0.423800 -1.5939E+01 -9.4146E+00 5.5859E+00 O6 2500 15.999400 -0.847600 -8.7164E-01 5.9161E+00 1.1383E+01 H1 2501 1.008000 0.423800 -9.0452E-01 6.9082E+00 1.1261E+01 H2 2502 1.008000 0.423800 -1.7058E+00 5.6088E+00 1.1841E+01 O6 2503 15.999400 -0.847600 -1.5448E+01 -3.4819E-01 -1.7518E+01 H1 2504 1.008000 0.423800 -1.4816E+01 -8.6099E-01 -1.8100E+01 H2 2505 1.008000 0.423800 -1.6389E+01 -5.6659E-01 -1.7775E+01 O6 2506 15.999400 -0.847600 -9.4735E+00 1.3163E+00 1.5852E+01 H1 2507 1.008000 0.423800 -9.2425E+00 2.2129E+00 1.6230E+01 H2 2508 1.008000 0.423800 -9.2238E+00 6.0398E-01 1.6508E+01 O6 2509 15.999400 -0.847600 -1.8192E+01 -1.3649E+01 -1.5114E+01 H1 2510 1.008000 0.423800 -1.7635E+01 -1.4470E+01 -1.4987E+01 H2 2511 1.008000 0.423800 -1.8490E+01 -1.3592E+01 -1.6067E+01 O6 2512 15.999400 -0.847600 -1.1277E+01 -6.7232E+00 3.2922E+00 H1 2513 1.008000 0.423800 -1.2223E+01 -6.5445E+00 3.5625E+00 H2 2514 1.008000 0.423800 -1.1243E+01 -6.9287E+00 2.3142E+00 O6 2515 15.999400 -0.847600 -4.7153E+00 -1.0314E+01 -6.1751E+00 H1 2516 1.008000 0.423800 -5.6299E+00 -9.9255E+00 -6.2877E+00 H2 2517 1.008000 0.423800 -4.5379E+00 -1.0967E+01 -6.9110E+00 O6 2518 15.999400 -0.847600 1.3602E+01 -1.3507E+01 -1.3873E+01 H1 2519 1.008000 0.423800 1.3026E+01 -1.3324E+01 -1.4669E+01 H2 2520 1.008000 0.423800 1.3823E+01 -1.2645E+01 -1.3417E+01 O6 2521 15.999400 -0.847600 -4.5884E+00 -1.7845E+01 -1.8330E+01 H1 2522 1.008000 0.423800 -4.4267E+00 -1.7534E+01 -1.7393E+01 H2 2523 1.008000 0.423800 -3.8878E+00 -1.7464E+01 -1.8933E+01 O6 2524 15.999400 -0.847600 -1.1969E+01 -5.2181E+00 -7.3846E+00 H1 2525 1.008000 0.423800 -1.2602E+01 -5.1724E+00 -8.1571E+00 H2 2526 1.008000 0.423800 -1.1158E+01 -4.6683E+00 -7.5855E+00 O6 2527 15.999400 -0.847600 -1.4676E+01 -2.4742E-01 -1.4737E+01 H1 2528 1.008000 0.423800 -1.3987E+01 -9.4062E-01 -1.4950E+01 H2 2529 1.008000 0.423800 -1.5051E+01 1.2301E-01 -1.5587E+01 O6 2530 15.999400 -0.847600 1.3454E+01 -1.0068E+01 2.2264E+00 H1 2531 1.008000 0.423800 1.3224E+01 -1.0281E+01 1.2766E+00 H2 2532 1.008000 0.423800 1.4424E+01 -9.8367E+00 2.2910E+00 O6 2533 15.999400 -0.847600 -2.0423E+00 -1.4184E+01 1.2117E+01 H1 2534 1.008000 0.423800 -1.4969E+00 -1.3945E+01 1.2921E+01 H2 2535 1.008000 0.423800 -1.5084E+00 -1.4013E+01 1.1289E+01 O6 2536 15.999400 -0.847600 1.6415E+00 -8.2123E+00 1.1608E+01 H1 2537 1.008000 0.423800 6.8591E-01 -7.9626E+00 1.1765E+01 H2 2538 1.008000 0.423800 2.2242E+00 -7.7240E+00 1.2258E+01 O6 2539 15.999400 -0.847600 1.1672E+01 1.3425E+01 1.3127E+01 H1 2540 1.008000 0.423800 1.1989E+01 1.3446E+01 1.2179E+01 H2 2541 1.008000 0.423800 1.2334E+01 1.2930E+01 1.3689E+01 O6 2542 15.999400 -0.847600 8.2282E+00 -3.1649E-01 5.2153E+00 H1 2543 1.008000 0.423800 9.1139E+00 1.3012E-01 5.0886E+00 H2 2544 1.008000 0.423800 8.1256E+00 -1.0499E+00 4.5433E+00 O6 2545 15.999400 -0.847600 8.9371E+00 -2.8378E+00 -1.6362E+01 H1 2546 1.008000 0.423800 9.8661E+00 -3.2062E+00 -1.6398E+01 H2 2547 1.008000 0.423800 8.9731E+00 -1.8652E+00 -1.6132E+01 O6 2548 15.999400 -0.847600 -1.9611E+00 1.3705E+01 -6.0984E+00 H1 2549 1.008000 0.423800 -1.2135E+00 1.3384E+01 -6.6799E+00 H2 2550 1.008000 0.423800 -2.5720E+00 1.2942E+01 -5.8891E+00 O6 2551 15.999400 -0.847600 1.3089E+01 -1.3333E+01 5.5416E-01 H1 2552 1.008000 0.423800 1.2333E+01 -1.2694E+01 4.1158E-01 H2 2553 1.008000 0.423800 1.3916E+01 -1.2972E+01 1.2358E-01 O6 2554 15.999400 -0.847600 4.2660E-01 -5.0655E+00 5.6340E+00 H1 2555 1.008000 0.423800 1.0082E+00 -4.2853E+00 5.4036E+00 H2 2556 1.008000 0.423800 7.4981E-01 -5.4828E+00 6.4834E+00 O6 2557 15.999400 -0.847600 -1.9486E+01 -1.5918E+01 1.8368E+01 H1 2558 1.008000 0.423800 -1.8672E+01 -1.6000E+01 1.7792E+01 H2 2559 1.008000 0.423800 -1.9531E+01 -1.4996E+01 1.8752E+01 O6 2560 15.999400 -0.847600 6.9721E+00 1.5998E+01 -2.3271E+00 H1 2561 1.008000 0.423800 6.2671E+00 1.6171E+01 -1.6394E+00 H2 2562 1.008000 0.423800 6.5618E+00 1.5543E+01 -3.1178E+00 O6 2563 15.999400 -0.847600 -9.1930E+00 1.7963E+01 9.1027E+00 H1 2564 1.008000 0.423800 -9.7725E+00 1.7206E+01 9.4042E+00 H2 2565 1.008000 0.423800 -8.6447E+00 1.8290E+01 9.8724E+00 O6 2566 15.999400 -0.847600 -1.9033E+01 -1.0773E+01 6.2548E+00 H1 2567 1.008000 0.423800 -1.8754E+01 -9.8857E+00 5.8877E+00 H2 2568 1.008000 0.423800 -1.8349E+01 -1.1093E+01 6.9099E+00 O6 2569 15.999400 -0.847600 2.7973E+00 5.8713E+00 -1.4562E+01 H1 2570 1.008000 0.423800 3.3426E+00 6.6784E+00 -1.4336E+01 H2 2571 1.008000 0.423800 2.7144E+00 5.2878E+00 -1.3754E+01 O6 2572 15.999400 -0.847600 -1.2890E+01 -1.3965E+01 9.0050E+00 H1 2573 1.008000 0.423800 -1.2695E+01 -1.3539E+01 8.1213E+00 H2 2574 1.008000 0.423800 -1.2204E+01 -1.4667E+01 9.1955E+00 O6 2575 15.999400 -0.847600 1.0516E+01 4.4095E+00 5.3209E+00 H1 2576 1.008000 0.423800 1.1270E+01 4.0356E+00 5.8616E+00 H2 2577 1.008000 0.423800 1.0362E+01 5.3632E+00 5.5791E+00 O6 2578 15.999400 -0.847600 -9.4926E+00 1.2123E+01 1.7142E+01 H1 2579 1.008000 0.423800 -1.0441E+01 1.2003E+01 1.6850E+01 H2 2580 1.008000 0.423800 -9.4482E+00 1.2830E+01 1.7848E+01 O6 2581 15.999400 -0.847600 1.1177E+01 5.6654E+00 1.3884E+01 H1 2582 1.008000 0.423800 1.0192E+01 5.8066E+00 1.3782E+01 H2 2583 1.008000 0.423800 1.1387E+01 4.6928E+00 1.3784E+01 O6 2584 15.999400 -0.847600 1.8481E+01 1.5931E+00 -1.6672E+01 H1 2585 1.008000 0.423800 1.7742E+01 1.3036E+00 -1.7280E+01 H2 2586 1.008000 0.423800 1.9177E+01 8.7648E-01 -1.6629E+01 O6 2587 15.999400 -0.847600 5.9566E+00 -3.0555E+00 2.6231E+00 H1 2588 1.008000 0.423800 6.4646E+00 -2.6799E+00 1.8479E+00 H2 2589 1.008000 0.423800 5.7816E+00 -4.0276E+00 2.4672E+00 O6 2590 15.999400 -0.847600 -7.5262E-01 7.9508E+00 -8.0300E+00 H1 2591 1.008000 0.423800 -1.3177E+00 8.1479E+00 -8.8312E+00 H2 2592 1.008000 0.423800 -9.8830E-01 7.0481E+00 -7.6700E+00 O6 2593 15.999400 -0.847600 1.1548E+00 8.0725E+00 1.4966E+01 H1 2594 1.008000 0.423800 5.3889E-01 8.5239E+00 1.5612E+01 H2 2595 1.008000 0.423800 1.2817E+00 8.6555E+00 1.4164E+01 O6 2596 15.999400 -0.847600 -6.8773E+00 6.1272E+00 7.4635E+00 H1 2597 1.008000 0.423800 -7.7434E+00 6.2880E+00 7.9369E+00 H2 2598 1.008000 0.423800 -7.0266E+00 5.4991E+00 6.6999E+00 O6 2599 15.999400 -0.847600 -1.0522E+01 1.3196E+01 -7.0035E+00 H1 2600 1.008000 0.423800 -1.0778E+01 1.3924E+01 -6.3677E+00 H2 2601 1.008000 0.423800 -9.7105E+00 1.2723E+01 -6.6588E+00 O6 2602 15.999400 -0.847600 -5.8054E+00 -1.6946E+01 1.7872E+01 H1 2603 1.008000 0.423800 -5.8011E+00 -1.7321E+01 1.8799E+01 H2 2604 1.008000 0.423800 -5.7267E+00 -1.7692E+01 1.7211E+01 O6 2605 15.999400 -0.847600 -1.7533E+01 1.5022E+01 1.6762E+01 H1 2606 1.008000 0.423800 -1.8114E+01 1.4210E+01 1.6716E+01 H2 2607 1.008000 0.423800 -1.7837E+01 1.5688E+01 1.6081E+01 O6 2608 15.999400 -0.847600 1.6199E+01 6.2817E+00 1.3428E+01 H1 2609 1.008000 0.423800 1.5483E+01 6.6321E+00 1.4033E+01 H2 2610 1.008000 0.423800 1.6001E+01 6.5538E+00 1.2486E+01 O6 2611 15.999400 -0.847600 -3.2485E+00 5.6823E+00 -1.2613E+01 H1 2612 1.008000 0.423800 -2.8290E+00 5.3948E+00 -1.3474E+01 H2 2613 1.008000 0.423800 -3.8090E+00 6.4953E+00 -1.2771E+01 O6 2614 15.999400 -0.847600 2.6814E+00 -1.5975E+01 -1.7269E+01 H1 2615 1.008000 0.423800 1.8626E+00 -1.6540E+01 -1.7370E+01 H2 2616 1.008000 0.423800 2.9468E+00 -1.5943E+01 -1.6305E+01 O6 2617 15.999400 -0.847600 -1.6203E+00 1.0018E+01 -3.9299E+00 H1 2618 1.008000 0.423800 -1.0484E+00 1.0005E+01 -4.7502E+00 H2 2619 1.008000 0.423800 -1.6831E+00 9.0936E+00 -3.5530E+00 O6 2620 15.999400 -0.847600 1.0750E+01 1.3758E+01 8.9306E-01 H1 2621 1.008000 0.423800 1.1556E+01 1.4189E+01 1.2988E+00 H2 2622 1.008000 0.423800 1.0176E+01 1.3376E+01 1.6174E+00 O6 2623 15.999400 -0.847600 1.7806E+00 1.6498E+01 1.8133E+00 H1 2624 1.008000 0.423800 1.9252E+00 1.7474E+01 1.6454E+00 H2 2625 1.008000 0.423800 2.3790E+00 1.6196E+01 2.5550E+00 O6 2626 15.999400 -0.847600 8.8278E+00 8.4308E+00 -6.2038E+00 H1 2627 1.008000 0.423800 8.2188E+00 7.9062E+00 -5.6087E+00 H2 2628 1.008000 0.423800 8.9782E+00 9.3378E+00 -5.8104E+00 O6 2629 15.999400 -0.847600 -1.1297E+01 -9.8503E+00 -9.9353E+00 H1 2630 1.008000 0.423800 -1.0974E+01 -9.8835E+00 -1.0881E+01 H2 2631 1.008000 0.423800 -1.1152E+01 -1.0740E+01 -9.5021E+00 O6 2632 15.999400 -0.847600 -4.5874E+00 -5.9821E+00 8.6539E+00 H1 2633 1.008000 0.423800 -4.2085E+00 -5.1917E+00 8.1727E+00 H2 2634 1.008000 0.423800 -3.9872E+00 -6.2282E+00 9.4150E+00 O6 2635 15.999400 -0.847600 1.0934E+01 1.7436E+01 6.2602E+00 H1 2636 1.008000 0.423800 1.0045E+01 1.7122E+01 6.5927E+00 H2 2637 1.008000 0.423800 1.1342E+01 1.6731E+01 5.6805E+00 O6 2638 15.999400 -0.847600 -1.4033E+01 -1.7287E+01 -1.3036E+01 H1 2639 1.008000 0.423800 -1.4334E+01 -1.6356E+01 -1.2833E+01 H2 2640 1.008000 0.423800 -1.4600E+01 -1.7938E+01 -1.2530E+01 O6 2641 15.999400 -0.847600 1.3479E+01 8.1018E+00 3.7458E+00 H1 2642 1.008000 0.423800 1.3298E+01 8.5146E+00 2.8532E+00 H2 2643 1.008000 0.423800 1.4450E+01 7.8701E+00 3.8149E+00 O6 2644 15.999400 -0.847600 -5.3522E+00 -6.2997E+00 -5.9659E+00 H1 2645 1.008000 0.423800 -4.5704E+00 -5.7750E+00 -6.3029E+00 H2 2646 1.008000 0.423800 -5.2649E+00 -6.4308E+00 -4.9784E+00 O6 2647 15.999400 -0.847600 1.9260E+01 1.3457E+01 -1.0557E+01 H1 2648 1.008000 0.423800 1.9120E+01 1.3082E+01 -9.6401E+00 H2 2649 1.008000 0.423800 -1.9258E+01 1.4269E+01 -1.0500E+01 O6 2650 15.999400 -0.847600 -2.0203E+00 1.2024E+01 1.1650E+01 H1 2651 1.008000 0.423800 -1.9402E+00 1.1737E+01 1.0695E+01 H2 2652 1.008000 0.423800 -2.7798E+00 1.1537E+01 1.2081E+01 O6 2653 15.999400 -0.847600 -4.9510E+00 -8.8755E+00 -1.8153E+01 H1 2654 1.008000 0.423800 -4.3564E+00 -9.6767E+00 -1.8084E+01 H2 2655 1.008000 0.423800 -5.7295E+00 -8.9842E+00 -1.7534E+01 O6 2656 15.999400 -0.847600 -1.2696E+01 5.5570E+00 1.8299E+01 H1 2657 1.008000 0.423800 -1.3577E+01 5.9127E+00 1.7987E+01 H2 2658 1.008000 0.423800 -1.2253E+01 6.2332E+00 1.8888E+01 O6 2659 15.999400 -0.847600 -1.5646E+01 1.4337E+01 1.8951E+01 H1 2660 1.008000 0.423800 -1.4826E+01 1.4902E+01 1.9045E+01 H2 2661 1.008000 0.423800 -1.6394E+01 1.4894E+01 1.8590E+01 O6 2662 15.999400 -0.847600 -1.9256E+01 1.2637E+01 1.6713E+01 H1 2663 1.008000 0.423800 -1.8660E+01 1.2421E+01 1.5940E+01 H2 2664 1.008000 0.423800 -1.9249E+01 1.1878E+01 1.7363E+01 O6 2665 15.999400 -0.847600 -5.2324E+00 9.8175E+00 -1.1826E+01 H1 2666 1.008000 0.423800 -6.0402E+00 9.6636E+00 -1.1257E+01 H2 2667 1.008000 0.423800 -4.9497E+00 1.0774E+01 -1.1752E+01 O6 2668 15.999400 -0.847600 -7.2081E+00 1.1600E+01 -1.3877E+01 H1 2669 1.008000 0.423800 -7.9616E+00 1.2077E+01 -1.3423E+01 H2 2670 1.008000 0.423800 -6.3371E+00 1.1961E+01 -1.3544E+01 O6 2671 15.999400 -0.847600 -1.9503E+01 5.9295E+00 1.2954E+01 H1 2672 1.008000 0.423800 1.8614E+01 5.8767E+00 1.2764E+01 H2 2673 1.008000 0.423800 -1.9070E+01 6.5481E+00 1.2299E+01 O6 2674 15.999400 -0.847600 -1.5814E+01 -1.4746E+01 -6.5816E+00 H1 2675 1.008000 0.423800 -1.6284E+01 -1.5243E+01 -5.8527E+00 H2 2676 1.008000 0.423800 -1.5849E+01 -1.5280E+01 -7.4261E+00 O6 2677 15.999400 -0.847600 1.6171E+01 -5.5809E+00 1.7078E+01 H1 2678 1.008000 0.423800 1.5841E+01 -4.8664E+00 1.7695E+01 H2 2679 1.008000 0.423800 1.5419E+01 -5.8910E+00 1.6496E+01 O6 2680 15.999400 -0.847600 -1.0623E+01 6.0272E-01 6.0298E+00 H1 2681 1.008000 0.423800 -1.0437E+01 1.5483E+00 6.2973E+00 H2 2682 1.008000 0.423800 -1.0510E+01 3.7886E-03 6.8226E+00 O6 2683 15.999400 -0.847600 7.5034E+00 -8.0088E-02 -1.5985E+01 H1 2684 1.008000 0.423800 7.4029E+00 9.1133E-01 -1.5901E+01 H2 2685 1.008000 0.423800 7.1840E+00 -5.1964E-01 -1.5145E+01 O6 2686 15.999400 -0.847600 -5.6783E+00 1.4443E+01 -9.8818E+00 H1 2687 1.008000 0.423800 -4.7407E+00 1.4557E+01 -9.5532E+00 H2 2688 1.008000 0.423800 -6.1182E+00 1.3696E+01 -9.3834E+00 O6 2689 15.999400 -0.847600 1.8756E+01 3.1393E+00 4.8495E+00 H1 2690 1.008000 0.423800 1.9163E+01 2.2275E+00 4.9070E+00 H2 2691 1.008000 0.423800 1.9474E+01 3.8138E+00 4.6762E+00 O6 2692 15.999400 -0.847600 1.6209E+01 -1.0192E+01 2.7885E+00 H1 2693 1.008000 0.423800 1.6118E+01 -1.0093E+01 3.7795E+00 H2 2694 1.008000 0.423800 1.7177E+01 -1.0186E+01 2.5400E+00 O6 2695 15.999400 -0.847600 4.2111E-01 -1.4707E+01 -1.1069E+00 H1 2696 1.008000 0.423800 5.2370E-01 -1.5693E+01 -9.7360E-01 H2 2697 1.008000 0.423800 5.5345E-01 -1.4486E+01 -2.0730E+00 O6 2698 15.999400 -0.847600 -1.6630E+00 -3.9270E+00 -1.4456E+01 H1 2699 1.008000 0.423800 -1.1974E+00 -4.5111E+00 -1.5121E+01 H2 2700 1.008000 0.423800 -2.6455E+00 -3.9280E+00 -1.4642E+01 O6 2701 15.999400 -0.847600 4.2951E+00 9.0498E+00 -9.3527E+00 H1 2702 1.008000 0.423800 3.6584E+00 8.3188E+00 -9.5983E+00 H2 2703 1.008000 0.423800 4.1421E+00 9.8389E+00 -9.9475E+00 O6 2704 15.999400 -0.847600 -1.9513E+01 -1.0302E+01 -5.9923E+00 H1 2705 1.008000 0.423800 1.8627E+01 -1.0210E+01 -5.7204E+00 H2 2706 1.008000 0.423800 -1.9003E+01 -9.4946E+00 -5.6945E+00 O6 2707 15.999400 -0.847600 -6.3570E+00 5.3204E+00 -1.7483E+01 H1 2708 1.008000 0.423800 -7.1528E+00 5.4262E+00 -1.6886E+01 H2 2709 1.008000 0.423800 -6.1216E+00 6.2053E+00 -1.7884E+01 O6 2710 15.999400 -0.847600 1.4684E+00 -1.4777E+01 1.8503E+01 H1 2711 1.008000 0.423800 2.0765E+00 -1.4114E+01 1.8067E+01 H2 2712 1.008000 0.423800 6.1789E-01 -1.4324E+01 1.8770E+01 O6 2713 15.999400 -0.847600 -1.3392E+01 9.4045E+00 -1.2661E+01 H1 2714 1.008000 0.423800 -1.2580E+01 8.9052E+00 -1.2965E+01 H2 2715 1.008000 0.423800 -1.3196E+01 9.8600E+00 -1.1792E+01 O6 2716 15.999400 -0.847600 1.9498E+01 9.5084E+00 -8.9092E+00 H1 2717 1.008000 0.423800 -1.8848E+01 9.2724E+00 -9.5250E+00 H2 2718 1.008000 0.423800 1.9541E+01 8.9306E+00 -8.0941E+00 O6 2719 15.999400 -0.847600 -1.0797E+01 3.2107E+00 -4.0222E+00 H1 2720 1.008000 0.423800 -1.0292E+01 3.9371E+00 -3.5561E+00 H2 2721 1.008000 0.423800 -1.1133E+01 2.5529E+00 -3.3480E+00 O6 2722 15.999400 -0.847600 1.6184E+01 -7.2356E+00 -1.2115E+01 H1 2723 1.008000 0.423800 1.6806E+01 -7.7001E+00 -1.2746E+01 H2 2724 1.008000 0.423800 1.6709E+01 -6.8377E+00 -1.1362E+01 O6 2725 15.999400 -0.847600 1.4179E+01 3.2676E+00 -1.4724E+01 H1 2726 1.008000 0.423800 1.3612E+01 3.3731E+00 -1.3908E+01 H2 2727 1.008000 0.423800 1.4808E+01 4.0417E+00 -1.4795E+01 O6 2728 15.999400 -0.847600 -1.0144E+01 -3.3240E+00 1.8882E+00 H1 2729 1.008000 0.423800 -1.0333E+01 -2.6135E+00 2.5661E+00 H2 2730 1.008000 0.423800 -9.1549E+00 -3.4433E+00 1.7976E+00 O6 2731 15.999400 -0.847600 1.6436E-01 -1.5000E+01 -6.2253E+00 H1 2732 1.008000 0.423800 3.3208E-01 -1.5448E+01 -5.3474E+00 H2 2733 1.008000 0.423800 -1.1502E-01 -1.4053E+01 -6.0675E+00 O6 2734 15.999400 -0.847600 5.7597E+00 -4.6266E+00 -5.4263E+00 H1 2735 1.008000 0.423800 5.7021E+00 -3.9559E+00 -4.6868E+00 H2 2736 1.008000 0.423800 6.6456E+00 -5.0889E+00 -5.3887E+00 O6 2737 15.999400 -0.847600 -1.5955E+01 -5.6358E+00 -1.1737E+01 H1 2738 1.008000 0.423800 -1.5091E+01 -6.1052E+00 -1.1917E+01 H2 2739 1.008000 0.423800 -1.6006E+01 -4.8058E+00 -1.2293E+01 O6 2740 15.999400 -0.847600 2.9476E+00 -1.6112E+01 1.6388E+00 H1 2741 1.008000 0.423800 3.6073E+00 -1.6547E+01 2.2518E+00 H2 2742 1.008000 0.423800 2.0241E+00 -1.6234E+01 2.0025E+00 O6 2743 15.999400 -0.847600 -1.7155E+01 8.9322E+00 1.5396E+01 H1 2744 1.008000 0.423800 -1.7465E+01 8.2086E+00 1.6013E+01 H2 2745 1.008000 0.423800 -1.6156E+01 8.9794E+00 1.5413E+01 O6 2746 15.999400 -0.847600 3.7066E+00 1.7382E+01 -5.1593E+00 H1 2747 1.008000 0.423800 3.2600E+00 1.7705E+01 -4.3246E+00 H2 2748 1.008000 0.423800 3.0183E+00 1.7233E+01 -5.8690E+00 O6 2749 15.999400 -0.847600 -1.1418E+01 1.3723E+01 8.1668E+00 H1 2750 1.008000 0.423800 -1.1666E+01 1.4410E+01 7.4846E+00 H2 2751 1.008000 0.423800 -1.2248E+01 1.3362E+01 8.5935E+00 O6 2752 15.999400 -0.847600 5.6905E-02 6.1151E+00 1.7662E+01 H1 2753 1.008000 0.423800 -5.8711E-01 6.8800E+00 1.7654E+01 H2 2754 1.008000 0.423800 -3.1603E-01 5.3595E+00 1.7124E+01 O6 2755 15.999400 -0.847600 5.5984E+00 -1.3845E+00 -9.5589E+00 H1 2756 1.008000 0.423800 5.2895E+00 -1.5594E+00 -8.6240E+00 H2 2757 1.008000 0.423800 6.5891E+00 -1.2485E+00 -9.5625E+00 O6 2758 15.999400 -0.847600 -5.6890E+00 -1.0057E+01 4.9049E-01 H1 2759 1.008000 0.423800 -5.0280E+00 -1.0795E+01 6.2783E-01 H2 2760 1.008000 0.423800 -5.7922E+00 -9.5397E+00 1.3400E+00 O6 2761 15.999400 -0.847600 1.5797E+01 -6.2379E+00 2.7575E+00 H1 2762 1.008000 0.423800 1.5850E+01 -7.1616E+00 3.1369E+00 H2 2763 1.008000 0.423800 1.5336E+01 -5.6358E+00 3.4098E+00 O6 2764 15.999400 -0.847600 1.9090E+01 1.8429E+01 1.6984E+01 H1 2765 1.008000 0.423800 1.8500E+01 1.8152E+01 1.7743E+01 H2 2766 1.008000 0.423800 -1.9182E+01 1.8863E+01 1.7344E+01 O6 2767 15.999400 -0.847600 -2.0340E+00 9.4387E+00 -1.2892E+01 H1 2768 1.008000 0.423800 -2.4442E+00 9.2967E+00 -1.1991E+01 H2 2769 1.008000 0.423800 -1.9955E+00 8.5676E+00 -1.3382E+01 O6 2770 15.999400 -0.847600 3.4638E+00 1.9294E+00 4.9803E+00 H1 2771 1.008000 0.423800 2.8341E+00 2.0284E+00 5.7509E+00 H2 2772 1.008000 0.423800 4.3722E+00 1.6874E+00 5.3212E+00 O6 2773 15.999400 -0.847600 -4.9806E+00 1.5780E+01 1.4497E+01 H1 2774 1.008000 0.423800 -5.9468E+00 1.5593E+01 1.4675E+01 H2 2775 1.008000 0.423800 -4.4300E+00 1.5442E+01 1.5260E+01 O6 2776 15.999400 -0.847600 1.1624E+01 -3.6480E+00 -4.9945E+00 H1 2777 1.008000 0.423800 1.2422E+01 -4.1282E+00 -4.6312E+00 H2 2778 1.008000 0.423800 1.1919E+01 -2.9828E+00 -5.6805E+00 O6 2779 15.999400 -0.847600 8.1221E+00 -1.0274E+01 1.6554E+01 H1 2780 1.008000 0.423800 8.5175E+00 -1.0003E+01 1.7432E+01 H2 2781 1.008000 0.423800 7.1740E+00 -9.9596E+00 1.6505E+01 O6 2782 15.999400 -0.847600 1.5599E+01 -1.5230E+01 1.0661E+01 H1 2783 1.008000 0.423800 1.6455E+01 -1.5464E+01 1.0199E+01 H2 2784 1.008000 0.423800 1.4854E+01 -1.5779E+01 1.0281E+01 O6 2785 15.999400 -0.847600 4.9504E-02 1.3362E+01 1.5536E+01 H1 2786 1.008000 0.423800 2.9100E-01 1.3186E+01 1.4582E+01 H2 2787 1.008000 0.423800 -9.4164E-01 1.3290E+01 1.5648E+01 O6 2788 15.999400 -0.847600 1.0914E+01 3.8956E+00 2.3241E+00 H1 2789 1.008000 0.423800 1.1856E+01 3.6025E+00 2.4886E+00 H2 2790 1.008000 0.423800 1.0750E+01 4.7663E+00 2.7878E+00 O6 2791 15.999400 -0.847600 -8.0683E+00 1.5222E+01 -7.0981E+00 H1 2792 1.008000 0.423800 -8.9136E+00 1.5673E+01 -6.8122E+00 H2 2793 1.008000 0.423800 -8.1915E+00 1.4230E+01 -7.0623E+00 O6 2794 15.999400 -0.847600 8.5667E+00 -7.4205E-01 1.4255E+01 H1 2795 1.008000 0.423800 8.6117E+00 -9.8491E-01 1.3285E+01 H2 2796 1.008000 0.423800 8.2273E+00 1.9391E-01 1.4348E+01 O6 2797 15.999400 -0.847600 -6.1722E+00 1.2689E+01 -7.3981E+00 H1 2798 1.008000 0.423800 -6.0437E+00 1.3327E+01 -6.6389E+00 H2 2799 1.008000 0.423800 -6.8789E+00 1.2024E+01 -7.1579E+00 O6 2800 15.999400 -0.847600 -3.9803E+00 -5.4860E+00 -1.5812E+01 H1 2801 1.008000 0.423800 -3.2851E+00 -5.5225E+00 -1.6530E+01 H2 2802 1.008000 0.423800 -4.8035E+00 -5.0432E+00 -1.6168E+01 O6 2803 15.999400 -0.847600 9.6827E+00 6.6032E-01 8.7246E+00 H1 2804 1.008000 0.423800 9.7490E+00 9.6615E-02 9.5479E+00 H2 2805 1.008000 0.423800 8.9132E+00 1.2926E+00 8.8147E+00 O6 2806 15.999400 -0.847600 1.0729E+01 -1.0379E+00 -1.0270E+01 H1 2807 1.008000 0.423800 1.0543E+01 -6.9006E-01 -1.1189E+01 H2 2808 1.008000 0.423800 1.1636E+01 -1.4583E+00 -1.0250E+01 O6 2809 15.999400 -0.847600 -1.1788E+01 7.7725E-01 -1.5875E+01 H1 2810 1.008000 0.423800 -1.2481E+01 1.1331E-01 -1.5594E+01 H2 2811 1.008000 0.423800 -1.0886E+01 3.4791E-01 -1.5849E+01 O6 2812 15.999400 -0.847600 -1.6050E+01 4.4289E+00 4.7527E+00 H1 2813 1.008000 0.423800 -1.5480E+01 5.1747E+00 4.4071E+00 H2 2814 1.008000 0.423800 -1.5473E+01 3.6390E+00 4.9620E+00 O6 2815 15.999400 -0.847600 -1.8705E+01 1.0204E+01 -1.5438E+01 H1 2816 1.008000 0.423800 -1.8615E+01 1.0552E+01 -1.6371E+01 H2 2817 1.008000 0.423800 -1.8035E+01 9.4775E+00 -1.5286E+01 O6 2818 15.999400 -0.847600 1.0031E+01 7.1688E+00 5.9452E+00 H1 2819 1.008000 0.423800 1.0727E+01 7.8789E+00 5.8398E+00 H2 2820 1.008000 0.423800 9.1230E+00 7.5751E+00 5.8454E+00 O6 2821 15.999400 -0.847600 1.5539E+01 1.0420E+01 -2.6349E+00 H1 2822 1.008000 0.423800 1.5339E+01 1.1243E+01 -2.1040E+00 H2 2823 1.008000 0.423800 1.4979E+01 1.0413E+01 -3.4632E+00 O6 2824 15.999400 -0.847600 -3.0935E+00 -4.7976E+00 -6.0100E+00 H1 2825 1.008000 0.423800 -2.6845E+00 -4.7532E+00 -6.9215E+00 H2 2826 1.008000 0.423800 -3.1335E+00 -3.8786E+00 -5.6177E+00 O6 2827 15.999400 -0.847600 1.0148E+01 -1.4411E+01 3.5932E+00 H1 2828 1.008000 0.423800 9.7727E+00 -1.5325E+01 3.4366E+00 H2 2829 1.008000 0.423800 9.7782E+00 -1.3778E+01 2.9127E+00 O6 2830 15.999400 -0.847600 -1.4884E+01 1.1843E+01 -5.2646E+00 H1 2831 1.008000 0.423800 -1.4619E+01 1.2592E+01 -5.8720E+00 H2 2832 1.008000 0.423800 -1.4776E+01 1.2131E+01 -4.3132E+00 O6 2833 15.999400 -0.847600 -1.0159E+01 8.6364E+00 -5.1293E-03 H1 2834 1.008000 0.423800 -1.0648E+01 9.4672E+00 2.6076E-01 H2 2835 1.008000 0.423800 -1.0372E+01 8.4140E+00 -9.5639E-01 O6 2836 15.999400 -0.847600 7.6787E+00 -7.8312E+00 9.3647E+00 H1 2837 1.008000 0.423800 8.2870E+00 -7.8166E+00 8.5711E+00 H2 2838 1.008000 0.423800 8.1636E+00 -8.2177E+00 1.0149E+01 O6 2839 15.999400 -0.847600 -1.5443E+01 -9.5042E+00 1.6155E+01 H1 2840 1.008000 0.423800 -1.5175E+01 -9.6574E+00 1.5204E+01 H2 2841 1.008000 0.423800 -1.6240E+01 -8.9006E+00 1.6184E+01 O6 2842 15.999400 -0.847600 -1.8553E+01 -9.4415E-01 1.8176E-01 H1 2843 1.008000 0.423800 -1.9347E+01 -1.1708E+00 7.4624E-01 H2 2844 1.008000 0.423800 -1.7784E+01 -1.5304E+00 4.3711E-01 O6 2845 15.999400 -0.847600 -9.7978E+00 5.0506E+00 -2.1914E+00 H1 2846 1.008000 0.423800 -1.0658E+01 5.5425E+00 -2.0554E+00 H2 2847 1.008000 0.423800 -9.1749E+00 5.2532E+00 -1.4359E+00 O6 2848 15.999400 -0.847600 -1.3548E+01 -1.7576E+01 1.5092E+01 H1 2849 1.008000 0.423800 -1.3589E+01 -1.6848E+01 1.4408E+01 H2 2850 1.008000 0.423800 -1.2712E+01 -1.7481E+01 1.5631E+01 O6 2851 15.999400 -0.847600 -1.1422E+01 -1.0511E+00 -1.0967E+01 H1 2852 1.008000 0.423800 -1.1226E+01 -9.2402E-01 -9.9942E+00 H2 2853 1.008000 0.423800 -1.2152E+01 -1.7257E+00 -1.1074E+01 O6 2854 15.999400 -0.847600 -9.0438E+00 1.8800E+01 -4.9671E+00 H1 2855 1.008000 0.423800 -8.0886E+00 1.8624E+01 -4.7288E+00 H2 2856 1.008000 0.423800 -9.3215E+00 -1.9411E+01 -4.5974E+00 O6 2857 15.999400 -0.847600 3.9128E+00 -1.1755E+01 1.2283E+01 H1 2858 1.008000 0.423800 4.8473E+00 -1.1997E+01 1.2022E+01 H2 2859 1.008000 0.423800 3.6024E+00 -1.0981E+01 1.1730E+01 O6 2860 15.999400 -0.847600 -3.1782E+00 -2.1780E+00 -5.3251E+00 H1 2861 1.008000 0.423800 -3.1975E+00 -2.0643E+00 -6.3185E+00 H2 2862 1.008000 0.423800 -4.1122E+00 -2.1537E+00 -4.9687E+00 O6 2863 15.999400 -0.847600 1.3223E+01 -5.5562E+00 1.7796E+01 H1 2864 1.008000 0.423800 1.4105E+01 -5.9995E+00 1.7959E+01 H2 2865 1.008000 0.423800 1.2494E+01 -6.1020E+00 1.8209E+01 O6 2866 15.999400 -0.847600 5.5943E+00 -3.8317E+00 6.9500E+00 H1 2867 1.008000 0.423800 4.9628E+00 -3.3880E+00 6.3142E+00 H2 2868 1.008000 0.423800 6.2181E+00 -3.1492E+00 7.3308E+00 O6 2869 15.999400 -0.847600 1.8123E+01 1.9537E+01 3.5373E+00 H1 2870 1.008000 0.423800 1.8364E+01 1.8616E+01 3.2335E+00 H2 2871 1.008000 0.423800 1.7568E+01 1.9480E+01 4.3671E+00 O6 2872 15.999400 -0.847600 1.4610E+01 1.6205E+01 1.1425E+01 H1 2873 1.008000 0.423800 1.3916E+01 1.5671E+01 1.0942E+01 H2 2874 1.008000 0.423800 1.5078E+01 1.5620E+01 1.2088E+01 O6 2875 15.999400 -0.847600 -1.9059E+01 6.0316E+00 -1.4500E+01 H1 2876 1.008000 0.423800 -1.9018E+01 6.3563E+00 -1.3556E+01 H2 2877 1.008000 0.423800 1.9365E+01 5.2966E+00 -1.4571E+01 O6 2878 15.999400 -0.847600 -3.9639E+00 -1.1340E+01 1.9484E+01 H1 2879 1.008000 0.423800 -3.2730E+00 -1.0967E+01 1.8864E+01 H2 2880 1.008000 0.423800 -3.6244E+00 -1.2188E+01 -1.9207E+01 O6 2881 15.999400 -0.847600 -8.5507E+00 -1.5756E+01 1.0157E+01 H1 2882 1.008000 0.423800 -8.1983E+00 -1.6251E+01 9.3634E+00 H2 2883 1.008000 0.423800 -7.8003E+00 -1.5273E+01 1.0609E+01 O6 2884 15.999400 -0.847600 -2.1334E-01 8.0947E+00 -1.4546E+01 H1 2885 1.008000 0.423800 1.1613E-01 7.2393E+00 -1.4946E+01 H2 2886 1.008000 0.423800 1.5995E-01 8.8677E+00 -1.5059E+01 O6 2887 15.999400 -0.847600 -8.3635E+00 8.9975E+00 -1.4121E+01 H1 2888 1.008000 0.423800 -8.0317E+00 8.2551E+00 -1.3539E+01 H2 2889 1.008000 0.423800 -7.7959E+00 9.8090E+00 -1.3982E+01 O6 2890 15.999400 -0.847600 7.8226E+00 4.4293E+00 1.6774E+00 H1 2891 1.008000 0.423800 8.0827E+00 5.1702E+00 2.2966E+00 H2 2892 1.008000 0.423800 8.3286E+00 3.6009E+00 1.9178E+00 O6 2893 15.999400 -0.847600 -6.5763E+00 -8.0163E+00 -1.4048E+01 H1 2894 1.008000 0.423800 -7.0613E+00 -8.1207E+00 -1.4916E+01 H2 2895 1.008000 0.423800 -5.5920E+00 -7.9724E+00 -1.4220E+01 O6 2896 15.999400 -0.847600 -9.3037E+00 1.9088E+01 5.0131E+00 H1 2897 1.008000 0.423800 -8.9586E+00 1.8293E+01 5.5121E+00 H2 2898 1.008000 0.423800 -9.4375E+00 1.8845E+01 4.0522E+00 O6 2899 15.999400 -0.847600 -7.7301E+00 -1.5476E+01 -1.6827E+01 H1 2900 1.008000 0.423800 -7.8001E+00 -1.5484E+01 -1.7825E+01 H2 2901 1.008000 0.423800 -7.7610E+00 -1.6415E+01 -1.6484E+01 O6 2902 15.999400 -0.847600 -2.6872E+00 -5.7903E+00 -1.0903E+01 H1 2903 1.008000 0.423800 -3.5940E+00 -5.3687E+00 -1.0909E+01 H2 2904 1.008000 0.423800 -2.7473E+00 -6.7043E+00 -1.0502E+01 O6 2905 15.999400 -0.847600 -1.0208E+01 1.7928E+01 1.3203E+01 H1 2906 1.008000 0.423800 -1.1061E+01 1.8020E+01 1.2689E+01 H2 2907 1.008000 0.423800 -1.0015E+01 1.6960E+01 1.3357E+01 O6 2908 15.999400 -0.847600 8.2414E+00 -1.6456E+01 -1.8694E+01 H1 2909 1.008000 0.423800 8.6400E+00 -1.7203E+01 -1.9227E+01 H2 2910 1.008000 0.423800 7.5171E+00 -1.6017E+01 -1.9225E+01 O6 2911 15.999400 -0.847600 9.9569E+00 -3.4930E+00 -9.4384E+00 H1 2912 1.008000 0.423800 1.0378E+01 -2.5881E+00 -9.5013E+00 H2 2913 1.008000 0.423800 9.2361E+00 -3.5739E+00 -1.0127E+01 O6 2914 15.999400 -0.847600 -6.9117E+00 -8.3718E-01 1.8616E+01 H1 2915 1.008000 0.423800 -7.7359E+00 -1.1254E+00 1.8128E+01 H2 2916 1.008000 0.423800 -6.3398E+00 -2.8696E-01 1.8007E+01 O6 2917 15.999400 -0.847600 5.8233E+00 -5.1574E+00 -9.5009E+00 H1 2918 1.008000 0.423800 5.2633E+00 -5.5571E+00 -1.0227E+01 H2 2919 1.008000 0.423800 5.2385E+00 -4.6432E+00 -8.8736E+00 O6 2920 15.999400 -0.847600 -1.7102E+01 -1.5329E+01 -4.3906E+00 H1 2921 1.008000 0.423800 -1.7343E+01 -1.5450E+01 -3.4277E+00 H2 2922 1.008000 0.423800 -1.7531E+01 -1.4497E+01 -4.7401E+00 O6 2923 15.999400 -0.847600 4.3897E-01 -1.7045E+01 1.6383E+00 H1 2924 1.008000 0.423800 -3.2776E-01 -1.7201E+01 2.2611E+00 H2 2925 1.008000 0.423800 9.4915E-02 -1.6945E+01 7.0471E-01 O6 2926 15.999400 -0.847600 1.6921E+01 -6.0318E-02 -1.8375E+01 H1 2927 1.008000 0.423800 1.7298E+01 -8.6228E-01 -1.8839E+01 H2 2928 1.008000 0.423800 1.6686E+01 -3.0002E-01 -1.7433E+01 O6 2929 15.999400 -0.847600 -1.9063E+01 7.8449E+00 1.0997E+01 H1 2930 1.008000 0.423800 -1.8363E+01 8.1324E+00 1.1651E+01 H2 2931 1.008000 0.423800 -1.8634E+01 7.3246E+00 1.0258E+01 O6 2932 15.999400 -0.847600 1.4001E+01 -1.5625E+00 8.0659E+00 H1 2933 1.008000 0.423800 1.3810E+01 -1.7169E+00 9.0352E+00 H2 2934 1.008000 0.423800 1.3190E+01 -1.1830E+00 7.6222E+00 O6 2935 15.999400 -0.847600 -1.6220E+00 -1.5037E+01 -1.6955E+01 H1 2936 1.008000 0.423800 -2.1154E+00 -1.4785E+01 -1.7788E+01 H2 2937 1.008000 0.423800 -2.2679E+00 -1.5113E+01 -1.6196E+01 O6 2938 15.999400 -0.847600 1.8329E+01 -9.2684E+00 -1.7913E+01 H1 2939 1.008000 0.423800 1.7374E+01 -8.9768E+00 -1.7973E+01 H2 2940 1.008000 0.423800 1.8382E+01 -1.0133E+01 -1.7414E+01 O6 2941 15.999400 -0.847600 -7.9590E-01 -1.5546E+01 -8.9612E+00 H1 2942 1.008000 0.423800 -7.3344E-01 -1.6491E+01 -8.6391E+00 H2 2943 1.008000 0.423800 -8.6789E-01 -1.4931E+01 -8.1764E+00 O6 2944 15.999400 -0.847600 1.3212E+01 2.0929E+00 -9.2383E+00 H1 2945 1.008000 0.423800 1.2847E+01 2.5911E+00 -8.4518E+00 H2 2946 1.008000 0.423800 1.2461E+01 1.8219E+00 -9.8394E+00 O6 2947 15.999400 -0.847600 1.5458E+01 1.1003E+01 1.3600E+01 H1 2948 1.008000 0.423800 1.6333E+01 1.0701E+01 1.3979E+01 H2 2949 1.008000 0.423800 1.5078E+01 1.0279E+01 1.3024E+01 O6 2950 15.999400 -0.847600 1.1336E+01 7.5310E+00 1.8535E+01 H1 2951 1.008000 0.423800 1.1301E+01 8.4895E+00 1.8819E+01 H2 2952 1.008000 0.423800 1.0850E+01 6.9683E+00 1.9204E+01 O6 2953 15.999400 -0.847600 -2.1585E+00 -2.0469E+00 -8.1313E+00 H1 2954 1.008000 0.423800 -2.0489E+00 -3.0195E+00 -8.3365E+00 H2 2955 1.008000 0.423800 -2.4874E+00 -1.5694E+00 -8.9461E+00 O6 2956 15.999400 -0.847600 3.3367E+00 1.2736E+01 8.8133E-02 H1 2957 1.008000 0.423800 3.2863E+00 1.1738E+01 4.4405E-02 H2 2958 1.008000 0.423800 3.6467E+00 1.3014E+01 9.9714E-01 O6 2959 15.999400 -0.847600 1.3442E+01 -1.6682E+01 -3.8479E+00 H1 2960 1.008000 0.423800 1.3343E+01 -1.6553E+01 -4.8346E+00 H2 2961 1.008000 0.423800 1.3282E+01 -1.5813E+01 -3.3803E+00 O6 2962 15.999400 -0.847600 1.4192E+01 -5.0322E-01 1.1180E+01 H1 2963 1.008000 0.423800 1.3785E+01 -1.3920E+00 1.0968E+01 H2 2964 1.008000 0.423800 1.3618E+01 2.2391E-01 1.0802E+01 O6 2965 15.999400 -0.847600 -1.1718E+01 -8.1691E+00 -7.7142E+00 H1 2966 1.008000 0.423800 -1.1895E+01 -7.1915E+00 -7.8294E+00 H2 2967 1.008000 0.423800 -1.1342E+01 -8.5421E+00 -8.5624E+00 O6 2968 15.999400 -0.847600 -1.8607E+00 1.7936E+00 9.9159E+00 H1 2969 1.008000 0.423800 -1.0102E+00 2.2942E+00 1.0077E+01 H2 2970 1.008000 0.423800 -1.6639E+00 9.6027E-01 9.3993E+00 O6 2971 15.999400 -0.847600 6.5284E+00 1.2191E+01 1.8247E+01 H1 2972 1.008000 0.423800 7.2725E+00 1.1595E+01 1.8550E+01 H2 2973 1.008000 0.423800 6.5975E+00 1.2335E+01 1.7260E+01 O6 2974 15.999400 -0.847600 -1.7038E+01 -1.7501E+01 -1.5798E-01 H1 2975 1.008000 0.423800 -1.7908E+01 -1.7740E+01 2.7144E-01 H2 2976 1.008000 0.423800 -1.6558E+01 -1.8336E+01 -4.2692E-01 O6 2977 15.999400 -0.847600 -6.3921E+00 -4.6002E+00 -1.6642E+01 H1 2978 1.008000 0.423800 -7.1499E+00 -4.8948E+00 -1.6060E+01 H2 2979 1.008000 0.423800 -6.3580E+00 -3.6010E+00 -1.6665E+01 O6 2980 15.999400 -0.847600 1.6377E+01 2.4432E+00 -3.0539E+00 H1 2981 1.008000 0.423800 1.6564E+01 3.4252E+00 -3.0837E+00 H2 2982 1.008000 0.423800 1.5830E+01 2.2324E+00 -2.2439E+00 O6 2983 15.999400 -0.847600 1.7652E+00 -2.1485E-01 -9.0530E+00 H1 2984 1.008000 0.423800 2.0513E+00 -6.4215E-01 -8.1953E+00 H2 2985 1.008000 0.423800 2.3459E+00 -5.4223E-01 -9.7984E+00 O6 2986 15.999400 -0.847600 -1.6986E+01 6.0245E-01 1.6286E+01 H1 2987 1.008000 0.423800 -1.7832E+01 8.1706E-01 1.6775E+01 H2 2988 1.008000 0.423800 -1.6201E+01 8.1432E-01 1.6868E+01 O6 2989 15.999400 -0.847600 1.5103E+01 6.9590E+00 6.9690E+00 H1 2990 1.008000 0.423800 1.4794E+01 6.5196E+00 6.1257E+00 H2 2991 1.008000 0.423800 1.6103E+01 6.9738E+00 6.9893E+00 O6 2992 15.999400 -0.847600 5.2874E+00 1.8216E+01 -7.1319E+00 H1 2993 1.008000 0.423800 4.6941E+00 1.8115E+01 -6.3333E+00 H2 2994 1.008000 0.423800 5.2543E+00 1.9162E+01 -7.4538E+00 O6 2995 15.999400 -0.847600 1.3708E+01 -1.7084E+01 1.9458E+01 H1 2996 1.008000 0.423800 1.2909E+01 -1.7671E+01 -1.9506E+01 H2 2997 1.008000 0.423800 1.4477E+01 -1.7637E+01 1.9136E+01 O6 2998 15.999400 -0.847600 -1.8850E+01 3.9815E+00 2.1611E+00 H1 2999 1.008000 0.423800 1.9452E+01 3.3865E+00 2.0468E+00 H2 3000 1.008000 0.423800 -1.8013E+01 3.4421E+00 2.0625E+00 O6 3001 15.999400 -0.847600 -4.1652E+00 1.7356E+01 -1.3890E+01 H1 3002 1.008000 0.423800 -3.1869E+00 1.7455E+01 -1.4072E+01 H2 3003 1.008000 0.423800 -4.6219E+00 1.7001E+01 -1.4706E+01 O6 3004 15.999400 -0.847600 1.4554E+01 1.6009E+01 1.4913E+01 H1 3005 1.008000 0.423800 1.4417E+01 1.6959E+01 1.4633E+01 H2 3006 1.008000 0.423800 1.3685E+01 1.5516E+01 1.4855E+01 O6 3007 15.999400 -0.847600 -4.3305E+00 3.0838E+00 -1.5105E+01 H1 3008 1.008000 0.423800 -3.3415E+00 3.1001E+00 -1.4958E+01 H2 3009 1.008000 0.423800 -4.5229E+00 3.1407E+00 -1.6084E+01 O6 3010 15.999400 -0.847600 -1.8205E+01 -6.2976E+00 -1.7391E+01 H1 3011 1.008000 0.423800 -1.8571E+01 -5.5054E+00 -1.7879E+01 H2 3012 1.008000 0.423800 -1.8930E+01 -6.9754E+00 -1.7265E+01 O6 3013 15.999400 -0.847600 1.2653E+01 -9.3252E+00 -3.5025E-01 H1 3014 1.008000 0.423800 1.1961E+01 -8.6750E+00 -6.6249E-01 H2 3015 1.008000 0.423800 1.3491E+01 -9.1999E+00 -8.8129E-01 O6 3016 15.999400 -0.847600 -2.4995E+00 -1.6811E+01 1.9167E+01 H1 3017 1.008000 0.423800 -2.4863E+00 -1.6622E+01 1.8185E+01 H2 3018 1.008000 0.423800 -1.5616E+00 -1.6849E+01 1.9512E+01 O6 3019 15.999400 -0.847600 -7.5630E+00 1.5336E+01 1.5158E+01 H1 3020 1.008000 0.423800 -7.6058E+00 1.4395E+01 1.5493E+01 H2 3021 1.008000 0.423800 -7.8081E+00 1.5964E+01 1.5896E+01 O6 3022 15.999400 -0.847600 1.4574E+01 -1.2383E+01 1.4971E+01 H1 3023 1.008000 0.423800 1.4072E+01 -1.2814E+01 1.4221E+01 H2 3024 1.008000 0.423800 1.5135E+01 -1.3069E+01 1.5434E+01 O6 3025 15.999400 -0.847600 -4.5049E+00 -9.6407E-02 -4.0695E-01 H1 3026 1.008000 0.423800 -4.0438E+00 7.5403E-01 -6.6033E-01 H2 3027 1.008000 0.423800 -4.8844E+00 -8.1117E-03 5.1398E-01 O6 3028 15.999400 -0.847600 -1.2015E+01 3.2398E+00 -8.4245E+00 H1 3029 1.008000 0.423800 -1.2619E+01 2.9625E+00 -9.1722E+00 H2 3030 1.008000 0.423800 -1.2435E+01 2.9977E+00 -7.5500E+00 O6 3031 15.999400 -0.847600 1.2084E+01 -1.8497E+01 2.5061E+00 H1 3032 1.008000 0.423800 1.1184E+01 -1.8254E+01 2.1449E+00 H2 3033 1.008000 0.423800 1.2778E+01 -1.8341E+01 1.8032E+00 O6 3034 15.999400 -0.847600 1.2710E+00 1.1361E+01 1.7484E+01 H1 3035 1.008000 0.423800 1.6810E+00 1.1746E+01 1.8311E+01 H2 3036 1.008000 0.423800 1.1426E+00 1.2086E+01 1.6808E+01 O6 3037 15.999400 -0.847600 4.5185E+00 -1.7335E+01 3.5583E+00 H1 3038 1.008000 0.423800 4.3848E+00 -1.6657E+01 4.2805E+00 H2 3039 1.008000 0.423800 4.8977E+00 -1.8172E+01 3.9532E+00 O6 3040 15.999400 -0.847600 -1.0903E+01 -8.6880E+00 1.6852E+01 H1 3041 1.008000 0.423800 -1.0210E+01 -8.4811E+00 1.7542E+01 H2 3042 1.008000 0.423800 -1.1343E+01 -9.5587E+00 1.7072E+01 O6 3043 15.999400 -0.847600 1.5357E+01 -1.5883E+01 1.6102E+00 H1 3044 1.008000 0.423800 1.5655E+01 -1.5990E+01 6.6154E-01 H2 3045 1.008000 0.423800 1.6095E+01 -1.5475E+01 2.1472E+00 O6 3046 15.999400 -0.847600 1.6450E+01 -9.1653E+00 1.5503E+01 H1 3047 1.008000 0.423800 1.5947E+01 -8.3605E+00 1.5188E+01 H2 3048 1.008000 0.423800 1.6443E+01 -9.8641E+00 1.4788E+01 O6 3049 15.999400 -0.847600 1.4264E+01 -1.3452E+01 -2.7889E+00 H1 3050 1.008000 0.423800 1.4726E+01 -1.3176E+01 -3.6318E+00 H2 3051 1.008000 0.423800 1.3327E+01 -1.3101E+01 -2.7918E+00 O6 3052 15.999400 -0.847600 -1.3597E+01 -2.7388E+00 -1.1446E+01 H1 3053 1.008000 0.423800 -1.4393E+01 -2.7995E+00 -1.2049E+01 H2 3054 1.008000 0.423800 -1.3903E+01 -2.6312E+00 -1.0500E+01 O6 3055 15.999400 -0.847600 -4.1984E+00 -9.7067E+00 1.7064E+01 H1 3056 1.008000 0.423800 -5.0781E+00 -9.3588E+00 1.7389E+01 H2 3057 1.008000 0.423800 -4.2434E+00 -9.8583E+00 1.6077E+01 O6 3058 15.999400 -0.847600 6.7436E+00 -5.9358E+00 5.0366E+00 H1 3059 1.008000 0.423800 6.2683E+00 -5.2667E+00 5.6080E+00 H2 3060 1.008000 0.423800 7.1939E+00 -5.4657E+00 4.2775E+00 O6 3061 15.999400 -0.847600 8.9603E+00 6.9389E+00 1.5739E+01 H1 3062 1.008000 0.423800 9.1997E+00 7.9060E+00 1.5826E+01 H2 3063 1.008000 0.423800 9.7779E+00 6.4131E+00 1.5504E+01 O6 3064 15.999400 -0.847600 4.7509E+00 -1.6336E+01 1.4635E+01 H1 3065 1.008000 0.423800 4.0336E+00 -1.6326E+01 1.5332E+01 H2 3066 1.008000 0.423800 5.4722E+00 -1.5692E+01 1.4890E+01 O6 3067 15.999400 -0.847600 5.1123E-01 1.2810E+01 -3.0286E-01 H1 3068 1.008000 0.423800 2.8520E-02 1.3604E+01 6.5548E-02 H2 3069 1.008000 0.423800 1.4800E+00 1.2867E+01 -6.1619E-02 O6 3070 15.999400 -0.847600 -1.5389E+01 -1.5056E+01 -1.2878E+01 H1 3071 1.008000 0.423800 -1.6005E+01 -1.4724E+01 -1.2163E+01 H2 3072 1.008000 0.423800 -1.5923E+01 -1.5322E+01 -1.3680E+01 O6 3073 15.999400 -0.847600 -1.7516E+00 -1.4307E+01 1.0715E+00 H1 3074 1.008000 0.423800 -1.2247E+00 -1.4537E+01 2.5331E-01 H2 3075 1.008000 0.423800 -1.2152E+00 -1.3694E+01 1.6517E+00 O6 3076 15.999400 -0.847600 1.3601E+00 -1.8526E+01 1.6841E+01 H1 3077 1.008000 0.423800 9.5037E-01 -1.8214E+01 1.7698E+01 H2 3078 1.008000 0.423800 2.0231E+00 -1.9250E+01 1.7032E+01 O6 3079 15.999400 -0.847600 -1.7540E+01 1.6388E+01 5.4074E+00 H1 3080 1.008000 0.423800 -1.8003E+01 1.7274E+01 5.4377E+00 H2 3081 1.008000 0.423800 -1.7651E+01 1.5985E+01 4.4989E+00 O6 3082 15.999400 -0.847600 -1.8264E+01 -1.5651E+01 -2.0227E+00 H1 3083 1.008000 0.423800 -1.8977E+01 -1.5034E+01 -1.6885E+00 H2 3084 1.008000 0.423800 -1.7939E+01 -1.6224E+01 -1.2702E+00 O6 3085 15.999400 -0.847600 1.4078E+01 5.4151E+00 4.5660E+00 H1 3086 1.008000 0.423800 1.4010E+01 4.6259E+00 3.9555E+00 H2 3087 1.008000 0.423800 1.3549E+01 6.1752E+00 4.1878E+00 O6 3088 15.999400 -0.847600 -4.8544E+00 -2.2024E+00 7.7329E+00 H1 3089 1.008000 0.423800 -4.4900E+00 -1.7312E+00 6.9296E+00 H2 3090 1.008000 0.423800 -4.1656E+00 -2.8330E+00 8.0904E+00 O6 3091 15.999400 -0.847600 2.6463E+00 5.0107E+00 1.7512E+01 H1 3092 1.008000 0.423800 2.4916E+00 4.0259E+00 1.7592E+01 H2 3093 1.008000 0.423800 1.7664E+00 5.4846E+00 1.7478E+01 O6 3094 15.999400 -0.847600 -5.3546E+00 -1.3908E+01 7.2589E+00 H1 3095 1.008000 0.423800 -4.7708E+00 -1.4556E+01 7.7491E+00 H2 3096 1.008000 0.423800 -5.5311E+00 -1.4251E+01 6.3364E+00 O6 3097 15.999400 -0.847600 1.9103E+01 2.8073E+00 -4.8165E+00 H1 3098 1.008000 0.423800 1.9450E+01 1.8941E+00 -4.6021E+00 H2 3099 1.008000 0.423800 1.8195E+01 2.7312E+00 -5.2274E+00 O6 3100 15.999400 -0.847600 -1.7371E+01 -3.4313E+00 1.8419E+01 H1 3101 1.008000 0.423800 -1.6509E+01 -3.7272E+00 1.8832E+01 H2 3102 1.008000 0.423800 -1.7401E+01 -3.7252E+00 1.7464E+01 O6 3103 15.999400 -0.847600 4.5918E+00 1.5780E+01 -8.1665E+00 H1 3104 1.008000 0.423800 3.6044E+00 1.5730E+01 -8.0164E+00 H2 3105 1.008000 0.423800 4.9170E+00 1.6698E+01 -7.9425E+00 O6 3106 15.999400 -0.847600 7.6744E+00 -1.8679E+01 -3.8628E+00 H1 3107 1.008000 0.423800 7.6193E+00 -1.7688E+01 -3.7406E+00 H2 3108 1.008000 0.423800 6.9512E+00 -1.9121E+01 -3.3321E+00 O6 3109 15.999400 -0.847600 1.6218E+01 -6.8847E-01 6.5188E+00 H1 3110 1.008000 0.423800 1.5632E+01 -1.0248E+00 7.2560E+00 H2 3111 1.008000 0.423800 1.6001E+01 -1.1747E+00 5.6723E+00 O6 3112 15.999400 -0.847600 -4.5852E+00 3.1840E+00 -1.7743E+01 H1 3113 1.008000 0.423800 -4.9225E+00 4.1112E+00 -1.7580E+01 H2 3114 1.008000 0.423800 -4.9394E+00 2.8490E+00 -1.8616E+01 O6 3115 15.999400 -0.847600 1.9094E+01 1.2020E+01 -1.3672E+01 H1 3116 1.008000 0.423800 1.8428E+01 1.2618E+01 -1.4117E+01 H2 3117 1.008000 0.423800 1.9462E+01 1.1374E+01 -1.4341E+01 O6 3118 15.999400 -0.847600 4.2644E+00 1.0006E+01 -6.9254E+00 H1 3119 1.008000 0.423800 4.2750E+00 1.1004E+01 -6.8712E+00 H2 3120 1.008000 0.423800 4.3653E+00 9.7229E+00 -7.8792E+00 O6 3121 15.999400 -0.847600 2.6787E+00 -2.3797E+00 3.6379E-01 H1 3122 1.008000 0.423800 3.3260E+00 -3.1385E+00 4.3592E-01 H2 3123 1.008000 0.423800 3.1816E+00 -1.5207E+00 2.6766E-01 O6 3124 15.999400 -0.847600 1.6765E+01 1.1753E+01 1.7983E+01 H1 3125 1.008000 0.423800 1.7049E+01 1.1711E+01 1.8941E+01 H2 3126 1.008000 0.423800 1.6257E+01 1.2600E+01 1.7823E+01 O6 3127 15.999400 -0.847600 -1.1214E+01 -1.7440E+01 1.6949E+01 H1 3128 1.008000 0.423800 -1.0743E+01 -1.7642E+01 1.7808E+01 H2 3129 1.008000 0.423800 -1.0569E+01 -1.7520E+01 1.6189E+01 O6 3130 15.999400 -0.847600 1.6404E+01 3.5525E+00 6.1310E+00 H1 3131 1.008000 0.423800 1.7296E+01 3.3713E+00 5.7170E+00 H2 3132 1.008000 0.423800 1.5861E+01 4.1243E+00 5.5159E+00 O6 3133 15.999400 -0.847600 1.1663E+01 -1.0439E+01 8.6635E+00 H1 3134 1.008000 0.423800 1.2555E+01 -1.0868E+01 8.5224E+00 H2 3135 1.008000 0.423800 1.1339E+01 -1.0053E+01 7.8000E+00 O6 3136 15.999400 -0.847600 -1.1258E+01 -1.4882E+01 -1.9326E+01 H1 3137 1.008000 0.423800 -1.1602E+01 -1.4871E+01 1.8833E+01 H2 3138 1.008000 0.423800 -1.1635E+01 -1.5672E+01 -1.8843E+01 O6 3139 15.999400 -0.847600 6.4542E+00 -1.1107E+01 -1.6159E+00 H1 3140 1.008000 0.423800 5.6852E+00 -1.1740E+01 -1.7020E+00 H2 3141 1.008000 0.423800 6.2504E+00 -1.0265E+01 -2.1161E+00 O6 3142 15.999400 -0.847600 1.3588E+01 3.4531E+00 1.0967E+01 H1 3143 1.008000 0.423800 1.2714E+01 3.6601E+00 1.1407E+01 H2 3144 1.008000 0.423800 1.3672E+01 3.9862E+00 1.0125E+01 O6 3145 15.999400 -0.847600 -1.0009E+01 4.6592E+00 5.2283E+00 H1 3146 1.008000 0.423800 -9.9467E+00 4.2952E+00 6.1577E+00 H2 3147 1.008000 0.423800 -1.0792E+01 4.2486E+00 4.7615E+00 O6 3148 15.999400 -0.847600 -9.8343E+00 -1.0234E+01 -1.2246E+01 H1 3149 1.008000 0.423800 -9.3087E+00 -1.1071E+01 -1.2092E+01 H2 3150 1.008000 0.423800 -1.0135E+01 -1.0201E+01 -1.3199E+01 O6 3151 15.999400 -0.847600 2.8757E+00 -1.5939E+01 -7.4035E+00 H1 3152 1.008000 0.423800 1.9733E+00 -1.5622E+01 -7.1110E+00 H2 3153 1.008000 0.423800 3.0063E+00 -1.5725E+01 -8.3715E+00 O6 3154 15.999400 -0.847600 1.5637E+00 -1.9188E+01 2.9477E+00 H1 3155 1.008000 0.423800 2.4245E+00 -1.9449E+01 2.5105E+00 H2 3156 1.008000 0.423800 1.0986E+00 -1.8504E+01 2.3863E+00 O6 3157 15.999400 -0.847600 -3.3562E+00 6.3211E+00 6.3984E+00 H1 3158 1.008000 0.423800 -2.5880E+00 6.0231E+00 6.9651E+00 H2 3159 1.008000 0.423800 -3.9743E+00 6.8858E+00 6.9452E+00 O6 3160 15.999400 -0.847600 -6.9850E+00 -1.9007E+01 6.2735E+00 H1 3161 1.008000 0.423800 -7.8337E+00 -1.9426E+01 5.9517E+00 H2 3162 1.008000 0.423800 -6.5845E+00 1.9524E+01 6.9930E+00 O6 3163 15.999400 -0.847600 -1.7680E+01 5.2615E-01 -1.9332E+00 H1 3164 1.008000 0.423800 -1.7961E+01 3.8426E-03 -1.1279E+00 H2 3165 1.008000 0.423800 -1.8126E+01 1.5115E-01 -2.7457E+00 O6 3166 15.999400 -0.847600 -5.2555E+00 -1.3590E-01 -1.2725E+01 H1 3167 1.008000 0.423800 -5.8497E+00 -8.3435E-01 -1.3124E+01 H2 3168 1.008000 0.423800 -4.3615E+00 -1.6397E-01 -1.3173E+01 O6 3169 15.999400 -0.847600 -1.0066E+01 3.2242E+00 7.4636E+00 H1 3170 1.008000 0.423800 -9.4782E+00 2.9549E+00 8.2265E+00 H2 3171 1.008000 0.423800 -1.1004E+01 2.9310E+00 7.6463E+00 O6 3172 15.999400 -0.847600 9.3421E+00 3.1694E+00 -1.7721E+00 H1 3173 1.008000 0.423800 9.3862E+00 4.1673E+00 -1.7241E+00 H2 3174 1.008000 0.423800 9.3890E+00 2.7890E+00 -8.4855E-01 O6 3175 15.999400 -0.847600 5.0263E+00 -2.4136E+00 -1.3922E+01 H1 3176 1.008000 0.423800 5.7776E+00 -1.8973E+00 -1.3511E+01 H2 3177 1.008000 0.423800 4.6654E+00 -3.0651E+00 -1.3255E+01 O6 3178 15.999400 -0.847600 1.3526E+01 1.5781E+01 -8.2010E+00 H1 3179 1.008000 0.423800 1.3109E+01 1.5350E+01 -7.4002E+00 H2 3180 1.008000 0.423800 1.3015E+01 1.6607E+01 -8.4388E+00 O6 3181 15.999400 -0.847600 -1.3308E+01 -1.2965E+00 -1.3961E+00 H1 3182 1.008000 0.423800 -1.2901E+01 -2.0529E+00 -8.8370E-01 H2 3183 1.008000 0.423800 -1.2901E+01 -1.2547E+00 -2.3083E+00 O6 3184 15.999400 -0.847600 5.1565E+00 9.0248E+00 2.9709E+00 H1 3185 1.008000 0.423800 4.3616E+00 9.6049E+00 2.7929E+00 H2 3186 1.008000 0.423800 4.9320E+00 8.3618E+00 3.6850E+00 O6 3187 15.999400 -0.847600 1.5696E+01 1.4291E+01 1.7065E+01 H1 3188 1.008000 0.423800 1.5398E+01 1.4636E+01 1.6175E+01 H2 3189 1.008000 0.423800 1.4897E+01 1.4025E+01 1.7605E+01 O6 3190 15.999400 -0.847600 -1.2582E+01 -1.0716E+01 1.7433E+01 H1 3191 1.008000 0.423800 -1.3285E+01 -1.0248E+01 1.7969E+01 H2 3192 1.008000 0.423800 -1.3012E+01 -1.1200E+01 1.6670E+01 O6 3193 15.999400 -0.847600 -1.5949E+01 -1.7839E+01 4.3020E+00 H1 3194 1.008000 0.423800 -1.5635E+01 -1.8441E+01 5.0356E+00 H2 3195 1.008000 0.423800 -1.6857E+01 -1.8129E+01 3.9985E+00 O6 3196 15.999400 -0.847600 1.5223E+01 -8.4666E+00 9.0821E+00 H1 3197 1.008000 0.423800 1.4664E+01 -7.6923E+00 8.7850E+00 H2 3198 1.008000 0.423800 1.4729E+01 -9.3191E+00 8.9112E+00 O6 3199 15.999400 -0.847600 9.8121E+00 -9.1737E+00 2.3595E+00 H1 3200 1.008000 0.423800 1.0755E+01 -8.9029E+00 2.1645E+00 H2 3201 1.008000 0.423800 9.8039E+00 -1.0094E+01 2.7514E+00 O6 3202 15.999400 -0.847600 1.7810E+01 -1.9386E+01 -1.2847E+01 H1 3203 1.008000 0.423800 1.7301E+01 1.8955E+01 -1.3256E+01 H2 3204 1.008000 0.423800 1.8655E+01 1.9364E+01 -1.2441E+01 O6 3205 15.999400 -0.847600 1.9338E+01 7.2540E+00 -1.8797E+01 H1 3206 1.008000 0.423800 1.9327E+01 7.1706E+00 -1.7800E+01 H2 3207 1.008000 0.423800 1.8601E+01 7.8646E+00 -1.9088E+01 O6 3208 15.999400 -0.847600 1.0628E+00 6.8519E+00 3.8063E+00 H1 3209 1.008000 0.423800 1.6494E-01 6.9031E+00 4.2437E+00 H2 3210 1.008000 0.423800 1.6895E+00 6.3370E+00 4.3912E+00 O6 3211 15.999400 -0.847600 -1.6736E+01 1.4880E+01 -3.5020E+00 H1 3212 1.008000 0.423800 -1.6005E+01 1.4245E+01 -3.2500E+00 H2 3213 1.008000 0.423800 -1.7500E+01 1.4779E+01 -2.8647E+00 O6 3214 15.999400 -0.847600 -1.7225E+01 -1.3387E+01 -8.7292E+00 H1 3215 1.008000 0.423800 -1.6558E+01 -1.3530E+01 -7.9978E+00 H2 3216 1.008000 0.423800 -1.8142E+01 -1.3596E+01 -8.3895E+00 O6 3217 15.999400 -0.847600 -1.4361E+01 -6.5676E+00 -2.9545E+00 H1 3218 1.008000 0.423800 -1.3470E+01 -6.2629E+00 -2.6172E+00 H2 3219 1.008000 0.423800 -1.4231E+01 -7.2801E+00 -3.6439E+00 O6 3220 15.999400 -0.847600 3.4587E+00 4.2833E+00 2.9447E+00 H1 3221 1.008000 0.423800 3.3714E+00 3.7574E+00 3.7908E+00 H2 3222 1.008000 0.423800 2.6001E+00 4.2380E+00 2.4341E+00 O6 3223 15.999400 -0.847600 -1.3469E+01 -1.1534E+01 -8.0140E-01 H1 3224 1.008000 0.423800 -1.3564E+01 -1.2020E+01 -1.6700E+00 H2 3225 1.008000 0.423800 -1.4368E+01 -1.1436E+01 -3.7373E-01 O6 3226 15.999400 -0.847600 8.3934E+00 1.4207E+01 8.2609E+00 H1 3227 1.008000 0.423800 7.8256E+00 1.3639E+01 8.8564E+00 H2 3228 1.008000 0.423800 9.3409E+00 1.3890E+01 8.3020E+00 O6 3229 15.999400 -0.847600 1.2122E+01 -8.7626E+00 -1.3836E+01 H1 3230 1.008000 0.423800 1.1852E+01 -7.9005E+00 -1.4265E+01 H2 3231 1.008000 0.423800 1.2500E+01 -8.5794E+00 -1.2928E+01 O6 3232 15.999400 -0.847600 -5.0461E+00 -6.1184E+00 -1.8644E+01 H1 3233 1.008000 0.423800 -5.9697E+00 -5.8938E+00 -1.8333E+01 H2 3234 1.008000 0.423800 -4.9000E+00 -7.1048E+00 -1.8569E+01 O6 3235 15.999400 -0.847600 1.6718E+01 5.3966E+00 -2.9255E+00 H1 3236 1.008000 0.423800 1.7036E+01 5.8082E+00 -3.7796E+00 H2 3237 1.008000 0.423800 1.6500E+01 6.1183E+00 -2.2688E+00 O6 3238 15.999400 -0.847600 1.8963E+01 -1.6996E+01 -3.9495E+00 H1 3239 1.008000 0.423800 1.8201E+01 -1.6361E+01 -4.0790E+00 H2 3240 1.008000 0.423800 -1.9444E+01 -1.6572E+01 -3.3633E+00 O6 3241 15.999400 -0.847600 1.6639E+01 4.6172E+00 -1.0931E+01 H1 3242 1.008000 0.423800 1.6222E+01 3.9468E+00 -1.0317E+01 H2 3243 1.008000 0.423800 1.7317E+01 5.1526E+00 -1.0428E+01 O6 3244 15.999400 -0.847600 1.8938E+01 -1.3524E+01 -1.8905E+01 H1 3245 1.008000 0.423800 1.8661E+01 -1.2931E+01 -1.8149E+01 H2 3246 1.008000 0.423800 1.8308E+01 -1.3402E+01 1.9425E+01 O6 3247 15.999400 -0.847600 -2.2247E+00 -1.5778E+01 3.9411E+00 H1 3248 1.008000 0.423800 -1.4969E+00 -1.5196E+01 4.3046E+00 H2 3249 1.008000 0.423800 -2.9305E+00 -1.5903E+01 4.6383E+00 O6 3250 15.999400 -0.847600 -3.7880E+00 -1.1524E+00 5.5492E+00 H1 3251 1.008000 0.423800 -3.8767E+00 -7.3279E-01 4.6458E+00 H2 3252 1.008000 0.423800 -3.0595E+00 -1.8371E+00 5.5285E+00 O6 3253 15.999400 -0.847600 -1.8718E+01 -1.2977E+01 -5.5325E+00 H1 3254 1.008000 0.423800 -1.8720E+01 -1.2023E+01 -5.8335E+00 H2 3255 1.008000 0.423800 -1.9080E+01 -1.3557E+01 -6.2621E+00 O6 3256 15.999400 -0.847600 1.6783E+01 -8.9013E-01 1.3975E+01 H1 3257 1.008000 0.423800 1.6281E+01 -1.7403E+00 1.4133E+01 H2 3258 1.008000 0.423800 1.6136E+01 -1.3282E-01 1.3885E+01 O6 3259 15.999400 -0.847600 -5.3780E+00 1.6909E+01 -1.6307E+01 H1 3260 1.008000 0.423800 -5.6884E+00 1.6022E+01 -1.6648E+01 H2 3261 1.008000 0.423800 -5.1408E+00 1.7499E+01 -1.7079E+01 O6 3262 15.999400 -0.847600 -8.6864E+00 -1.2210E+01 1.2536E+01 H1 3263 1.008000 0.423800 -7.9994E+00 -1.1917E+01 1.1871E+01 H2 3264 1.008000 0.423800 -8.4029E+00 -1.1930E+01 1.3453E+01 O6 3265 15.999400 -0.847600 -6.9369E+00 2.3437E+00 -6.6017E+00 H1 3266 1.008000 0.423800 -6.9236E+00 3.1388E+00 -7.2080E+00 H2 3267 1.008000 0.423800 -6.4702E+00 1.5785E+00 -7.0453E+00 O6 3268 15.999400 -0.847600 1.5226E+01 -9.4214E+00 1.8185E+01 H1 3269 1.008000 0.423800 1.4891E+01 -1.0363E+01 1.8224E+01 H2 3270 1.008000 0.423800 1.5669E+01 -9.2616E+00 1.7303E+01 O6 3271 15.999400 -0.847600 2.1900E+00 -9.7424E+00 -1.9351E+01 H1 3272 1.008000 0.423800 1.9088E+00 -1.0438E+01 -1.8690E+01 H2 3273 1.008000 0.423800 1.4724E+00 -9.0508E+00 -1.9433E+01 O6 3274 15.999400 -0.847600 -4.5520E-01 -1.8032E+01 1.3640E+01 H1 3275 1.008000 0.423800 -1.3216E+00 -1.8456E+01 1.3905E+01 H2 3276 1.008000 0.423800 2.8588E-01 -1.8695E+01 1.3746E+01 O6 3277 15.999400 -0.847600 1.1208E+01 8.7782E+00 -1.6879E+01 H1 3278 1.008000 0.423800 1.1545E+01 8.2033E+00 -1.6133E+01 H2 3279 1.008000 0.423800 1.0574E+01 9.4598E+00 -1.6514E+01 O6 3280 15.999400 -0.847600 -8.6630E+00 7.3015E+00 -3.5599E+00 H1 3281 1.008000 0.423800 -9.1220E+00 7.3181E+00 -4.4482E+00 H2 3282 1.008000 0.423800 -8.9040E+00 6.4602E+00 -3.0760E+00 O6 3283 15.999400 -0.847600 -1.0650E+01 5.2208E+00 1.6515E+01 H1 3284 1.008000 0.423800 -1.0111E+01 4.4082E+00 1.6736E+01 H2 3285 1.008000 0.423800 -1.1425E+01 5.2884E+00 1.7143E+01 O6 3286 15.999400 -0.847600 1.8764E+01 -1.1870E+01 -1.6659E+01 H1 3287 1.008000 0.423800 1.7896E+01 -1.2183E+01 -1.6273E+01 H2 3288 1.008000 0.423800 1.9293E+01 -1.1398E+01 -1.5953E+01 O6 3289 15.999400 -0.847600 -1.4531E+01 -1.5226E+01 -3.4962E+00 H1 3290 1.008000 0.423800 -1.5447E+01 -1.5250E+01 -3.8968E+00 H2 3291 1.008000 0.423800 -1.3905E+01 -1.5761E+01 -4.0638E+00 O6 3292 15.999400 -0.847600 4.3021E+00 3.2387E+00 -1.8176E+01 H1 3293 1.008000 0.423800 3.3446E+00 3.4995E+00 -1.8299E+01 H2 3294 1.008000 0.423800 4.8387E+00 4.0462E+00 -1.7932E+01 O6 3295 15.999400 -0.847600 -9.6182E+00 1.0670E+01 1.3035E+01 H1 3296 1.008000 0.423800 -8.7071E+00 1.0413E+01 1.3357E+01 H2 3297 1.008000 0.423800 -1.0298E+01 1.0421E+01 1.3724E+01 O6 3298 15.999400 -0.847600 -9.2891E+00 -2.1725E+00 -2.1671E+00 H1 3299 1.008000 0.423800 -8.3354E+00 -2.1546E+00 -1.8669E+00 H2 3300 1.008000 0.423800 -9.3241E+00 -2.2939E+00 -3.1591E+00 O6 3301 15.999400 -0.847600 -7.1143E+00 -8.0725E+00 -9.0360E+00 H1 3302 1.008000 0.423800 -6.8672E+00 -7.1232E+00 -8.8414E+00 H2 3303 1.008000 0.423800 -7.5247E+00 -8.1302E+00 -9.9460E+00 O6 3304 15.999400 -0.847600 -8.4637E+00 -8.0238E+00 6.1981E+00 H1 3305 1.008000 0.423800 -9.4343E+00 -7.7828E+00 6.1957E+00 H2 3306 1.008000 0.423800 -8.3503E+00 -8.9532E+00 5.8472E+00 O6 3307 15.999400 -0.847600 2.7572E+00 -2.8288E-02 3.1499E+00 H1 3308 1.008000 0.423800 1.7730E+00 5.9459E-02 2.9959E+00 H2 3309 1.008000 0.423800 3.0951E+00 7.8737E-01 3.6195E+00 O6 3310 15.999400 -0.847600 -1.2938E+01 1.9696E+00 1.3805E+01 H1 3311 1.008000 0.423800 -1.1999E+01 2.2898E+00 1.3680E+01 H2 3312 1.008000 0.423800 -1.3406E+01 2.5585E+00 1.4464E+01 O6 3313 15.999400 -0.847600 9.7819E+00 1.4007E+01 -1.5827E+01 H1 3314 1.008000 0.423800 9.8380E+00 1.4098E+01 -1.4832E+01 H2 3315 1.008000 0.423800 1.0365E+01 1.4696E+01 -1.6258E+01 O6 3316 15.999400 -0.847600 -6.9322E+00 4.2432E+00 1.0470E+01 H1 3317 1.008000 0.423800 -6.9555E+00 4.5894E+00 9.5322E+00 H2 3318 1.008000 0.423800 -7.2524E+00 3.2959E+00 1.0484E+01 O6 3319 15.999400 -0.847600 2.7539E+00 1.8211E+01 -1.0932E+01 H1 3320 1.008000 0.423800 3.4018E+00 1.7655E+01 -1.1452E+01 H2 3321 1.008000 0.423800 2.1588E+00 1.8708E+01 -1.1563E+01 O6 3322 15.999400 -0.847600 -8.0523E+00 -2.3472E+00 -8.9042E+00 H1 3323 1.008000 0.423800 -7.2460E+00 -2.1689E+00 -9.4682E+00 H2 3324 1.008000 0.423800 -7.9291E+00 -1.9280E+00 -8.0047E+00 O6 3325 15.999400 -0.847600 1.5416E+01 -3.5244E+00 -1.7386E+01 H1 3326 1.008000 0.423800 1.5178E+01 -3.3597E+00 -1.6429E+01 H2 3327 1.008000 0.423800 1.5969E+01 -4.3544E+00 -1.7454E+01 O6 3328 15.999400 -0.847600 -1.7780E+01 -1.0653E+01 -1.1717E+01 H1 3329 1.008000 0.423800 -1.7157E+01 -1.0964E+01 -1.1000E+01 H2 3330 1.008000 0.423800 -1.8524E+01 -1.1312E+01 -1.1821E+01 O6 3331 15.999400 -0.847600 2.9693E+00 -6.3633E+00 1.3258E+01 H1 3332 1.008000 0.423800 2.5225E+00 -5.6508E+00 1.3799E+01 H2 3333 1.008000 0.423800 3.7583E+00 -5.9747E+00 1.2782E+01 O6 3334 15.999400 -0.847600 -1.2720E+00 -2.7203E+00 5.7869E+00 H1 3335 1.008000 0.423800 -6.8781E-01 -1.9612E+00 5.4995E+00 H2 3336 1.008000 0.423800 -8.1864E-01 -3.5870E+00 5.5788E+00 O6 3337 15.999400 -0.847600 7.4205E+00 -5.1740E+00 1.4471E+01 H1 3338 1.008000 0.423800 7.2074E+00 -5.6548E+00 1.3620E+01 H2 3339 1.008000 0.423800 6.6476E+00 -4.5942E+00 1.4729E+01 O6 3340 15.999400 -0.847600 1.3049E+01 -4.5253E-01 1.7347E+01 H1 3341 1.008000 0.423800 1.3516E+01 -3.3038E-02 1.8125E+01 H2 3342 1.008000 0.423800 1.3561E+01 -1.2572E+00 1.7045E+01 O6 3343 15.999400 -0.847600 1.7158E+01 -1.3368E+01 -9.0156E+00 H1 3344 1.008000 0.423800 1.6398E+01 -1.2853E+01 -8.6193E+00 H2 3345 1.008000 0.423800 1.6803E+01 -1.4169E+01 -9.4967E+00 O6 3346 15.999400 -0.847600 5.2180E+00 -8.9828E+00 -6.2827E+00 H1 3347 1.008000 0.423800 4.2692E+00 -8.6899E+00 -6.1644E+00 H2 3348 1.008000 0.423800 5.6261E+00 -8.4884E+00 -7.0503E+00 O6 3349 15.999400 -0.847600 -5.5690E+00 -1.0073E+01 -1.0685E+01 H1 3350 1.008000 0.423800 -5.2031E+00 -9.9209E+00 -1.1603E+01 H2 3351 1.008000 0.423800 -5.7127E+00 -9.1920E+00 -1.0233E+01 O6 3352 15.999400 -0.847600 1.7234E+00 1.2956E+01 6.7600E+00 H1 3353 1.008000 0.423800 1.9320E+00 1.2693E+01 5.8182E+00 H2 3354 1.008000 0.423800 2.4726E+00 1.3509E+01 7.1252E+00 O6 3355 15.999400 -0.847600 1.3006E+01 -8.7941E+00 -1.1157E+01 H1 3356 1.008000 0.423800 1.3841E+01 -8.2581E+00 -1.1036E+01 H2 3357 1.008000 0.423800 1.2489E+01 -8.8041E+00 -1.0301E+01 O6 3358 15.999400 -0.847600 7.0574E+00 1.4578E+00 -8.4821E+00 H1 3359 1.008000 0.423800 7.4838E+00 1.7027E+00 -7.6113E+00 H2 3360 1.008000 0.423800 7.2714E+00 5.0604E-01 -8.7020E+00 O6 3361 15.999400 -0.847600 7.1568E+00 1.3087E+00 -1.2441E+01 H1 3362 1.008000 0.423800 6.3521E+00 1.9023E+00 -1.2454E+01 H2 3363 1.008000 0.423800 6.8805E+00 3.7778E-01 -1.2202E+01 O6 3364 15.999400 -0.847600 1.1857E+01 1.7353E+01 -1.9504E+01 H1 3365 1.008000 0.423800 1.2641E+01 1.7097E+01 -1.8938E+01 H2 3366 1.008000 0.423800 1.2037E+01 1.7103E+01 1.8642E+01 O6 3367 15.999400 -0.847600 1.1616E+01 -4.7451E+00 1.0965E+00 H1 3368 1.008000 0.423800 1.2445E+01 -5.2204E+00 8.0443E-01 H2 3369 1.008000 0.423800 1.0945E+01 -4.7578E+00 3.5429E-01 O6 3370 15.999400 -0.847600 4.8009E+00 -3.5652E+00 -1.9874E+00 H1 3371 1.008000 0.423800 3.8911E+00 -3.4024E+00 -2.3695E+00 H2 3372 1.008000 0.423800 5.1845E+00 -2.7015E+00 -1.6606E+00 O6 3373 15.999400 -0.847600 1.4706E+01 1.7730E+00 -9.0035E-01 H1 3374 1.008000 0.423800 1.4251E+01 2.6560E+00 -1.0156E+00 H2 3375 1.008000 0.423800 1.4595E+01 1.4612E+00 4.3208E-02 O6 3376 15.999400 -0.847600 -9.0155E+00 7.4131E+00 -1.7422E+01 H1 3377 1.008000 0.423800 -9.0633E+00 8.2130E+00 -1.6824E+01 H2 3378 1.008000 0.423800 -8.7728E+00 7.7032E+00 -1.8347E+01 O6 3379 15.999400 -0.847600 9.1092E+00 6.6536E+00 2.9303E+00 H1 3380 1.008000 0.423800 8.7414E+00 7.4626E+00 2.4718E+00 H2 3381 1.008000 0.423800 9.1420E+00 6.8156E+00 3.9166E+00 O6 3382 15.999400 -0.847600 -4.8673E+00 -8.2002E+00 1.3274E+01 H1 3383 1.008000 0.423800 -4.3198E+00 -7.3694E+00 1.3173E+01 H2 3384 1.008000 0.423800 -5.6275E+00 -8.1792E+00 1.2625E+01 O6 3385 15.999400 -0.847600 -1.1422E+01 -3.9162E-01 8.5846E+00 H1 3386 1.008000 0.423800 -1.1847E+01 3.4097E-01 9.1163E+00 H2 3387 1.008000 0.423800 -1.1898E+01 -1.2524E+00 8.7628E+00 O6 3388 15.999400 -0.847600 1.0421E+01 -6.6378E+00 -1.4876E+01 H1 3389 1.008000 0.423800 1.0927E+01 -6.0857E+00 -1.5539E+01 H2 3390 1.008000 0.423800 9.7917E+00 -7.2460E+00 -1.5360E+01 O6 3391 15.999400 -0.847600 -1.1940E+01 8.8668E+00 4.0168E+00 H1 3392 1.008000 0.423800 -1.1870E+01 8.2158E+00 3.2609E+00 H2 3393 1.008000 0.423800 -1.1343E+01 8.5755E+00 4.7639E+00 O6 3394 15.999400 -0.847600 -1.8995E+01 1.8809E+01 5.7924E+00 H1 3395 1.008000 0.423800 -1.8896E+01 -1.9410E+01 5.3244E+00 H2 3396 1.008000 0.423800 -1.8903E+01 1.8945E+01 6.7788E+00 O6 3397 15.999400 -0.847600 -1.5011E+01 1.0519E-02 1.3202E+01 H1 3398 1.008000 0.423800 -1.4461E+01 7.4507E-01 1.3600E+01 H2 3399 1.008000 0.423800 -1.5158E+01 -7.0371E-01 1.3886E+01 O6 3400 15.999400 -0.847600 -1.6225E+01 1.3328E+01 -9.9020E+00 H1 3401 1.008000 0.423800 -1.6998E+01 1.3891E+01 -1.0198E+01 H2 3402 1.008000 0.423800 -1.5741E+01 1.2979E+01 -1.0704E+01 O6 3403 15.999400 -0.847600 -1.1527E+00 1.4750E+01 -1.2018E+01 H1 3404 1.008000 0.423800 -6.5556E-01 1.4330E+01 -1.2777E+01 H2 3405 1.008000 0.423800 -5.2721E-01 1.5320E+01 -1.1485E+01 O6 3406 15.999400 -0.847600 1.3424E+01 -1.8106E+01 -1.3752E+01 H1 3407 1.008000 0.423800 1.3938E+01 -1.8484E+01 -1.2982E+01 H2 3408 1.008000 0.423800 1.3102E+01 -1.7188E+01 -1.3519E+01 O6 3409 15.999400 -0.847600 -8.7782E+00 -2.8224E+00 5.1825E+00 H1 3410 1.008000 0.423800 -8.5447E+00 -1.9787E+00 4.6991E+00 H2 3411 1.008000 0.423800 -7.9397E+00 -3.3094E+00 5.4268E+00 O6 3412 15.999400 -0.847600 -3.6443E+00 -1.1778E+01 8.2041E-01 H1 3413 1.008000 0.423800 -3.0652E+00 -1.1124E+01 1.3066E+00 H2 3414 1.008000 0.423800 -3.0926E+00 -1.2560E+01 5.3037E-01 O6 3415 15.999400 -0.847600 -1.8765E+00 4.8590E+00 1.3953E+01 H1 3416 1.008000 0.423800 -2.2158E+00 3.9981E+00 1.3574E+01 H2 3417 1.008000 0.423800 -2.6079E+00 5.3084E+00 1.4466E+01 O6 3418 15.999400 -0.847600 1.2921E+01 1.8596E+01 -5.3822E+00 H1 3419 1.008000 0.423800 1.3896E+01 1.8422E+01 -5.2472E+00 H2 3420 1.008000 0.423800 1.2460E+01 1.7740E+01 -5.6193E+00 O6 3421 15.999400 -0.847600 -1.8911E+01 -6.6356E+00 1.0330E+01 H1 3422 1.008000 0.423800 -1.8386E+01 -6.8538E+00 1.1153E+01 H2 3423 1.008000 0.423800 -1.8561E+01 -5.7903E+00 9.9264E+00 O6 3424 15.999400 -0.847600 8.5089E+00 1.0974E+01 -1.9490E+01 H1 3425 1.008000 0.423800 9.4266E+00 1.0587E+01 -1.9399E+01 H2 3426 1.008000 0.423800 8.4768E+00 1.1866E+01 -1.9040E+01 O6 3427 15.999400 -0.847600 -1.8624E+01 -6.0893E+00 -1.1309E+01 H1 3428 1.008000 0.423800 -1.7639E+01 -6.0764E+00 -1.1480E+01 H2 3429 1.008000 0.423800 -1.9050E+01 -5.3015E+00 -1.1753E+01 O6 3430 15.999400 -0.847600 -9.8042E+00 -3.7631E+00 -4.5205E+00 H1 3431 1.008000 0.423800 -9.4301E+00 -4.6785E+00 -4.3719E+00 H2 3432 1.008000 0.423800 -1.0792E+01 -3.7770E+00 -4.3624E+00 O6 3433 15.999400 -0.847600 1.8741E+01 1.5921E+01 -7.3042E+00 H1 3434 1.008000 0.423800 1.7930E+01 1.5337E+01 -7.2801E+00 H2 3435 1.008000 0.423800 -1.9548E+01 1.5379E+01 -7.0756E+00 O6 3436 15.999400 -0.847600 6.2624E+00 -1.9166E+01 1.8670E+01 H1 3437 1.008000 0.423800 5.9492E+00 -1.8532E+01 1.9377E+01 H2 3438 1.008000 0.423800 6.8929E+00 1.9268E+01 1.9072E+01 O6 3439 15.999400 -0.847600 -1.2104E+01 1.8870E+01 1.7457E+01 H1 3440 1.008000 0.423800 -1.1739E+01 -1.9453E+01 1.6941E+01 H2 3441 1.008000 0.423800 -1.2237E+01 1.9138E+01 1.8412E+01 O6 3442 15.999400 -0.847600 -1.3272E+01 4.9139E+00 -1.6946E+01 H1 3443 1.008000 0.423800 -1.4011E+01 5.5589E+00 -1.6752E+01 H2 3444 1.008000 0.423800 -1.3211E+01 4.2444E+00 -1.6205E+01 O6 3445 15.999400 -0.847600 1.5567E+01 -6.2036E+00 -6.2785E+00 H1 3446 1.008000 0.423800 1.6124E+01 -6.7065E+00 -6.9392E+00 H2 3447 1.008000 0.423800 1.5758E+01 -5.2252E+00 -6.3576E+00 O6 3448 15.999400 -0.847600 1.8166E+01 1.4155E+01 1.1937E+01 H1 3449 1.008000 0.423800 1.7932E+01 1.4562E+01 1.1055E+01 H2 3450 1.008000 0.423800 1.8529E+01 1.4861E+01 1.2545E+01 O6 3451 15.999400 -0.847600 -1.7818E+01 -1.9137E+01 1.7758E+01 H1 3452 1.008000 0.423800 -1.6895E+01 -1.8944E+01 1.7426E+01 H2 3453 1.008000 0.423800 -1.7763E+01 1.9424E+01 1.8600E+01 O6 3454 15.999400 -0.847600 6.8376E+00 1.8032E+01 3.3785E+00 H1 3455 1.008000 0.423800 7.2147E+00 1.7304E+01 3.9513E+00 H2 3456 1.008000 0.423800 6.1044E+00 1.8499E+01 3.8727E+00 O6 3457 15.999400 -0.847600 -1.8208E+01 1.5637E+01 -1.0131E+01 H1 3458 1.008000 0.423800 -1.7482E+01 1.5867E+01 -1.0780E+01 H2 3459 1.008000 0.423800 -1.8662E+01 1.6475E+01 -9.8279E+00 O6 3460 15.999400 -0.847600 -6.7938E+00 -1.2601E+01 -6.9603E-01 H1 3461 1.008000 0.423800 -6.6948E+00 -1.1863E+01 -2.8728E-02 H2 3462 1.008000 0.423800 -6.7732E+00 -1.3482E+01 -2.2370E-01 O6 3463 15.999400 -0.847600 9.3685E+00 1.0258E+01 -2.4130E+00 H1 3464 1.008000 0.423800 1.0119E+01 1.0094E+01 -3.0531E+00 H2 3465 1.008000 0.423800 8.4958E+00 1.0161E+01 -2.8914E+00 O6 3466 15.999400 -0.847600 -1.4339E+01 -1.0249E+01 -1.4863E+01 H1 3467 1.008000 0.423800 -1.4006E+01 -1.0332E+01 -1.5802E+01 H2 3468 1.008000 0.423800 -1.5071E+01 -1.0913E+01 -1.4709E+01 O6 3469 15.999400 -0.847600 -4.2445E+00 -5.1094E+00 1.3575E+01 H1 3470 1.008000 0.423800 -4.5742E+00 -4.3251E+00 1.4100E+01 H2 3471 1.008000 0.423800 -3.3169E+00 -5.3409E+00 1.3868E+01 O6 3472 15.999400 -0.847600 -1.8604E+00 3.6174E+00 4.0281E+00 H1 3473 1.008000 0.423800 -2.1854E+00 4.5453E+00 3.8451E+00 H2 3474 1.008000 0.423800 -1.2173E+00 3.3426E+00 3.3133E+00 O6 3475 15.999400 -0.847600 -7.5897E-01 3.9611E+00 1.6522E+01 H1 3476 1.008000 0.423800 -1.3881E+00 3.5071E+00 1.7153E+01 H2 3477 1.008000 0.423800 -1.2142E+00 4.1052E+00 1.5643E+01 O6 3478 15.999400 -0.847600 -1.2477E+01 -3.0338E+00 8.6086E+00 H1 3479 1.008000 0.423800 -1.3296E+01 -3.4595E+00 8.9943E+00 H2 3480 1.008000 0.423800 -1.2039E+01 -3.6693E+00 7.9726E+00 O6 3481 15.999400 -0.847600 -1.5829E+01 1.2569E+01 -1.5580E+01 H1 3482 1.008000 0.423800 -1.6130E+01 1.2162E+01 -1.6443E+01 H2 3483 1.008000 0.423800 -1.5346E+01 1.1881E+01 -1.5038E+01 O6 3484 15.999400 -0.847600 -1.5172E+01 -1.2249E+01 1.3226E+01 H1 3485 1.008000 0.423800 -1.4394E+01 -1.1888E+01 1.3741E+01 H2 3486 1.008000 0.423800 -1.4935E+01 -1.2298E+01 1.2256E+01 O6 3487 15.999400 -0.847600 -1.3037E+01 -1.7197E+01 -4.8620E+00 H1 3488 1.008000 0.423800 -1.2615E+01 -1.7742E+01 -4.1372E+00 H2 3489 1.008000 0.423800 -1.3415E+01 -1.7806E+01 -5.5595E+00 O6 3490 15.999400 -0.847600 -1.7512E+01 8.1367E+00 5.5829E+00 H1 3491 1.008000 0.423800 -1.7817E+01 7.2026E+00 5.3975E+00 H2 3492 1.008000 0.423800 -1.7963E+01 8.7665E+00 4.9507E+00 O6 3493 15.999400 -0.847600 1.6223E+01 -1.0081E+01 1.8419E-02 H1 3494 1.008000 0.423800 1.5848E+01 -1.0945E+01 -3.1814E-01 H2 3495 1.008000 0.423800 1.6251E+01 -1.0097E+01 1.0179E+00 O6 3496 15.999400 -0.847600 -1.7553E+01 1.1688E+01 1.4661E+01 H1 3497 1.008000 0.423800 -1.7794E+01 1.1477E+01 1.3714E+01 H2 3498 1.008000 0.423800 -1.7374E+01 1.0838E+01 1.5157E+01 O6 3499 15.999400 -0.847600 -1.8090E+01 1.3607E+01 -7.4593E+00 H1 3500 1.008000 0.423800 -1.7306E+01 1.3199E+01 -7.9285E+00 H2 3501 1.008000 0.423800 -1.7794E+01 1.4425E+01 -6.9663E+00 O6 3502 15.999400 -0.847600 -8.3943E+00 -1.1610E+01 -1.8043E+01 H1 3503 1.008000 0.423800 -8.5446E+00 -1.1655E+01 -1.7056E+01 H2 3504 1.008000 0.423800 -9.2496E+00 -1.1813E+01 -1.8520E+01 O6 3505 15.999400 -0.847600 8.2816E+00 -1.1313E+01 -1.6050E+01 H1 3506 1.008000 0.423800 7.4980E+00 -1.1053E+01 -1.5486E+01 H2 3507 1.008000 0.423800 8.6090E+00 -1.2215E+01 -1.5771E+01 O6 3508 15.999400 -0.847600 -1.9479E+01 1.6075E+01 2.5223E-01 H1 3509 1.008000 0.423800 -1.9511E+01 1.5649E+01 -6.5227E-01 H2 3510 1.008000 0.423800 -1.8549E+01 1.6391E+01 4.3892E-01 O6 3511 15.999400 -0.847600 -7.2313E+00 -6.3025E+00 2.8453E+00 H1 3512 1.008000 0.423800 -6.9347E+00 -6.4179E+00 1.8973E+00 H2 3513 1.008000 0.423800 -7.8080E+00 -7.0752E+00 3.1105E+00 O6 3514 15.999400 -0.847600 6.7715E+00 1.7565E+00 3.3207E+00 H1 3515 1.008000 0.423800 7.0637E+00 2.5737E+00 3.8175E+00 H2 3516 1.008000 0.423800 6.1952E+00 2.0242E+00 2.5485E+00 O6 3517 15.999400 -0.847600 6.7559E+00 -1.6327E+00 -1.1924E+01 H1 3518 1.008000 0.423800 7.5497E+00 -2.2401E+00 -1.1890E+01 H2 3519 1.008000 0.423800 6.2882E+00 -1.6469E+00 -1.1040E+01 O6 3520 15.999400 -0.847600 1.6053E+01 3.1089E+00 1.2247E+01 H1 3521 1.008000 0.423800 1.5205E+01 3.6250E+00 1.2123E+01 H2 3522 1.008000 0.423800 1.6442E+01 2.8869E+00 1.1354E+01 O6 3523 15.999400 -0.847600 -8.0205E+00 7.1726E+00 1.8769E+01 H1 3524 1.008000 0.423800 -8.6314E+00 7.9360E+00 1.8559E+01 H2 3525 1.008000 0.423800 -7.7931E+00 6.6859E+00 1.7926E+01 O6 3526 15.999400 -0.847600 1.7019E+01 1.6203E+01 -1.1442E+01 H1 3527 1.008000 0.423800 1.6778E+01 1.5254E+01 -1.1238E+01 H2 3528 1.008000 0.423800 1.7980E+01 1.6359E+01 -1.1214E+01 O6 3529 15.999400 -0.847600 2.4185E+00 -9.1943E-01 1.7387E+01 H1 3530 1.008000 0.423800 2.5990E+00 -1.4796E+00 1.8195E+01 H2 3531 1.008000 0.423800 1.6740E+00 -2.8128E-01 1.7583E+01 O6 3532 15.999400 -0.847600 9.6962E+00 -7.5497E+00 1.7188E+01 H1 3533 1.008000 0.423800 9.3304E+00 -6.6190E+00 1.7192E+01 H2 3534 1.008000 0.423800 9.5840E+00 -7.9482E+00 1.6278E+01 O6 3535 15.999400 -0.847600 -9.6040E+00 7.0411E+00 1.2234E+01 H1 3536 1.008000 0.423800 -1.0557E+01 7.2960E+00 1.2070E+01 H2 3537 1.008000 0.423800 -9.0444E+00 7.8673E+00 1.2300E+01 O6 3538 15.999400 -0.847600 -1.0879E+01 -1.2023E+01 3.1029E-01 H1 3539 1.008000 0.423800 -1.1816E+01 -1.1707E+01 1.6267E-01 H2 3540 1.008000 0.423800 -1.0257E+01 -1.1507E+01 -2.7880E-01 O6 3541 15.999400 -0.847600 1.2212E+01 -1.4738E-01 -9.7290E-01 H1 3542 1.008000 0.423800 1.3030E+01 3.9861E-01 -1.1575E+00 H2 3543 1.008000 0.423800 1.1410E+01 4.4902E-01 -9.5622E-01 O6 3544 15.999400 -0.847600 1.0438E+00 1.9548E+01 -1.2489E+01 H1 3545 1.008000 0.423800 5.2084E-02 -1.9429E+01 -1.2534E+01 H2 3546 1.008000 0.423800 1.4493E+00 -1.9306E+01 -1.3370E+01 O6 3547 15.999400 -0.847600 9.1582E+00 -1.9078E+01 5.3450E+00 H1 3548 1.008000 0.423800 9.4373E+00 1.9142E+01 4.9557E+00 H2 3549 1.008000 0.423800 9.6229E+00 -1.8938E+01 6.2193E+00 O6 3550 15.999400 -0.847600 1.7270E+00 -7.1192E+00 -5.5071E-01 H1 3551 1.008000 0.423800 9.7111E-01 -7.7709E+00 -4.8761E-01 H2 3552 1.008000 0.423800 2.5089E+00 -7.4645E+00 -3.1785E-02 O6 3553 15.999400 -0.847600 -5.2422E+00 -1.7192E+01 1.4683E+01 H1 3554 1.008000 0.423800 -4.8698E+00 -1.7893E+01 1.5291E+01 H2 3555 1.008000 0.423800 -5.0376E+00 -1.6286E+01 1.5055E+01 O6 3556 15.999400 -0.847600 -2.2166E+00 -1.8223E+01 2.8050E+00 H1 3557 1.008000 0.423800 -3.0375E+00 -1.8416E+01 2.2673E+00 H2 3558 1.008000 0.423800 -2.3365E+00 -1.7363E+01 3.3004E+00 O6 3559 15.999400 -0.847600 1.7771E+01 -1.9369E+00 1.9066E+01 H1 3560 1.008000 0.423800 1.7165E+01 -2.7301E+00 1.9003E+01 H2 3561 1.008000 0.423800 1.7915E+01 -1.5542E+00 1.8153E+01 O6 3562 15.999400 -0.847600 -9.1421E+00 1.2371E+00 -5.4328E+00 H1 3563 1.008000 0.423800 -8.4935E+00 1.6620E+00 -6.0643E+00 H2 3564 1.008000 0.423800 -9.5459E+00 1.9397E+00 -4.8469E+00 O6 3565 15.999400 -0.847600 -8.5810E+00 1.4917E+01 1.2666E+01 H1 3566 1.008000 0.423800 -7.8700E+00 1.5225E+01 1.2034E+01 H2 3567 1.008000 0.423800 -8.2360E+00 1.4962E+01 1.3604E+01 O6 3568 15.999400 -0.847600 8.0447E+00 5.2062E+00 -1.8956E+01 H1 3569 1.008000 0.423800 7.5912E+00 4.3402E+00 -1.9167E+01 H2 3570 1.008000 0.423800 7.6195E+00 5.6175E+00 -1.8150E+01 O6 3571 15.999400 -0.847600 -1.6398E+01 -8.3326E+00 -8.6422E+00 H1 3572 1.008000 0.423800 -1.5511E+01 -8.5971E+00 -9.0221E+00 H2 3573 1.008000 0.423800 -1.6422E+01 -7.3415E+00 -8.5112E+00 O6 3574 15.999400 -0.847600 -1.0943E+01 -2.2923E+00 -1.8165E+01 H1 3575 1.008000 0.423800 -1.0602E+01 -3.2256E+00 -1.8278E+01 H2 3576 1.008000 0.423800 -1.0497E+01 -1.8673E+00 -1.7378E+01 O6 3577 15.999400 -0.847600 -8.9396E+00 -1.2113E+01 7.4696E+00 H1 3578 1.008000 0.423800 -8.0000E+00 -1.1845E+01 7.6830E+00 H2 3579 1.008000 0.423800 -8.9782E+00 -1.3100E+01 7.3166E+00 O6 3580 15.999400 -0.847600 -2.1123E+00 5.9300E+00 2.8417E+00 H1 3581 1.008000 0.423800 -2.1858E+00 5.9227E+00 1.8444E+00 H2 3582 1.008000 0.423800 -2.3025E+00 6.8504E+00 3.1831E+00 O6 3583 15.999400 -0.847600 -1.4506E+01 6.3366E+00 -1.4381E+01 H1 3584 1.008000 0.423800 -1.5210E+01 5.7682E+00 -1.4807E+01 H2 3585 1.008000 0.423800 -1.4137E+01 5.8660E+00 -1.3580E+01 O6 3586 15.999400 -0.847600 -1.6327E+00 3.3016E+00 -5.6870E+00 H1 3587 1.008000 0.423800 -2.5013E+00 3.1584E+00 -5.2126E+00 H2 3588 1.008000 0.423800 -1.0876E+00 2.4643E+00 -5.6440E+00 O6 3589 15.999400 -0.847600 5.6201E+00 -3.7373E-01 9.6650E+00 H1 3590 1.008000 0.423800 4.6665E+00 -1.1674E-01 9.5085E+00 H2 3591 1.008000 0.423800 6.1013E+00 3.8380E-01 1.0106E+01 O6 3592 15.999400 -0.847600 -1.9221E+01 -3.9293E+00 -1.8870E+01 H1 3593 1.008000 0.423800 1.9073E+01 -4.3405E+00 -1.9299E+01 H2 3594 1.008000 0.423800 -1.8528E+01 -3.7442E+00 1.9531E+01 O6 3595 15.999400 -0.847600 -7.8809E+00 -9.1232E+00 -3.0697E+00 H1 3596 1.008000 0.423800 -6.9476E+00 -9.3792E+00 -2.8178E+00 H2 3597 1.008000 0.423800 -8.5282E+00 -9.7379E+00 -2.6191E+00 O6 3598 15.999400 -0.847600 -6.7339E+00 1.6746E+01 -1.1125E+01 H1 3599 1.008000 0.423800 -6.2791E+00 1.5891E+01 -1.0876E+01 H2 3600 1.008000 0.423800 -7.5397E+00 1.6876E+01 -1.0548E+01 O6 3601 15.999400 -0.847600 1.6740E+01 4.5017E+00 2.4151E+00 H1 3602 1.008000 0.423800 1.6864E+01 4.9875E+00 3.2803E+00 H2 3603 1.008000 0.423800 1.7262E+01 3.6489E+00 2.4340E+00 O6 3604 15.999400 -0.847600 -1.9032E+01 1.8227E+01 -1.2130E+01 H1 3605 1.008000 0.423800 -1.9260E+01 1.7985E+01 -1.1187E+01 H2 3606 1.008000 0.423800 -1.8208E+01 1.7735E+01 -1.2410E+01 O6 3607 15.999400 -0.847600 7.8080E+00 -4.0440E+00 -1.1083E+01 H1 3608 1.008000 0.423800 8.3744E+00 -4.6631E+00 -1.1627E+01 H2 3609 1.008000 0.423800 7.1283E+00 -4.5735E+00 -1.0576E+01 O6 3610 15.999400 -0.847600 1.4990E+01 4.6831E+00 1.1679E-01 H1 3611 1.008000 0.423800 1.5159E+01 5.6163E+00 -2.0018E-01 H2 3612 1.008000 0.423800 1.5557E+01 4.4956E+00 9.1886E-01 O6 3613 15.999400 -0.847600 -1.3895E+01 5.9412E+00 3.7633E+00 H1 3614 1.008000 0.423800 -1.3590E+01 5.3073E+00 3.0526E+00 H2 3615 1.008000 0.423800 -1.4162E+01 6.8090E+00 3.3438E+00 O6 3616 15.999400 -0.847600 -6.9483E+00 1.1429E+01 -1.2761E+00 H1 3617 1.008000 0.423800 -7.4936E+00 1.0867E+01 -1.8980E+00 H2 3618 1.008000 0.423800 -6.2019E+00 1.0881E+01 -8.9902E-01 O6 3619 15.999400 -0.847600 -3.7200E+00 -1.6957E+01 -8.2258E+00 H1 3620 1.008000 0.423800 -4.3179E+00 -1.6608E+01 -8.9474E+00 H2 3621 1.008000 0.423800 -3.5176E+00 -1.6224E+01 -7.5768E+00 O6 3622 15.999400 -0.847600 -1.7598E+01 -1.3587E+01 1.2878E+01 H1 3623 1.008000 0.423800 -1.8172E+01 -1.2971E+01 1.2339E+01 H2 3624 1.008000 0.423800 -1.6669E+01 -1.3220E+01 1.2927E+01 O6 3625 15.999400 -0.847600 7.8428E+00 -1.7764E+01 -1.6256E+01 H1 3626 1.008000 0.423800 6.8798E+00 -1.7941E+01 -1.6053E+01 H2 3627 1.008000 0.423800 7.9210E+00 -1.7348E+01 -1.7162E+01 O6 3628 15.999400 -0.847600 -1.0755E+01 1.3181E+01 -1.5005E+01 H1 3629 1.008000 0.423800 -1.1289E+01 1.2350E+01 -1.5164E+01 H2 3630 1.008000 0.423800 -1.0079E+01 1.3010E+01 -1.4289E+01 O6 3631 15.999400 -0.847600 1.6260E+01 -3.6536E+00 1.1022E+01 H1 3632 1.008000 0.423800 1.6226E+01 -2.6544E+00 1.1042E+01 H2 3633 1.008000 0.423800 1.5432E+01 -4.0239E+00 1.1443E+01 O6 3634 15.999400 -0.847600 -1.8517E+01 1.6937E+01 1.5193E+01 H1 3635 1.008000 0.423800 -1.8939E+01 1.7456E+01 1.5936E+01 H2 3636 1.008000 0.423800 -1.7747E+01 1.7454E+01 1.4820E+01 O6 3637 15.999400 -0.847600 5.7510E+00 -5.4180E+00 1.8539E+01 H1 3638 1.008000 0.423800 5.3760E+00 -5.7477E+00 1.9405E+01 H2 3639 1.008000 0.423800 5.3766E+00 -5.9594E+00 1.7786E+01 O6 3640 15.999400 -0.847600 7.5049E+00 1.2881E+00 1.0941E+01 H1 3641 1.008000 0.423800 7.5082E+00 2.2467E+00 1.0656E+01 H2 3642 1.008000 0.423800 7.6106E+00 1.2350E+00 1.1934E+01 O6 3643 15.999400 -0.847600 1.0469E+01 7.0888E+00 -7.9125E+00 H1 3644 1.008000 0.423800 1.1291E+01 6.6641E+00 -7.5332E+00 H2 3645 1.008000 0.423800 9.9307E+00 7.4917E+00 -7.1725E+00 O6 3646 15.999400 -0.847600 8.8404E+00 -8.8968E+00 1.1833E+01 H1 3647 1.008000 0.423800 8.9873E+00 -9.8406E+00 1.1537E+01 H2 3648 1.008000 0.423800 8.9979E+00 -8.8281E+00 1.2818E+01 O6 3649 15.999400 -0.847600 1.5069E+01 1.9158E+01 1.3123E+00 H1 3650 1.008000 0.423800 1.4708E+01 1.9360E+01 4.0153E-01 H2 3651 1.008000 0.423800 1.5982E+01 -1.9542E+01 1.4045E+00 O6 3652 15.999400 -0.847600 -7.6389E+00 1.4657E+01 -1.8065E+01 H1 3653 1.008000 0.423800 -7.7937E+00 1.5623E+01 -1.8272E+01 H2 3654 1.008000 0.423800 -8.3501E+00 1.4332E+01 -1.7441E+01 O6 3655 15.999400 -0.847600 -3.9695E+00 -1.7809E+01 -1.5693E+01 H1 3656 1.008000 0.423800 -4.4174E+00 -1.8539E+01 -1.5178E+01 H2 3657 1.008000 0.423800 -3.4099E+00 -1.7258E+01 -1.5074E+01 O6 3658 15.999400 -0.847600 1.4118E+01 -1.6399E+01 4.0471E+00 H1 3659 1.008000 0.423800 1.4748E+01 -1.6330E+01 3.2738E+00 H2 3660 1.008000 0.423800 1.4184E+01 -1.5572E+01 4.6052E+00 O6 3661 15.999400 -0.847600 1.0364E+01 -1.7590E+01 1.4834E+01 H1 3662 1.008000 0.423800 1.0387E+01 -1.6973E+01 1.4047E+01 H2 3663 1.008000 0.423800 9.6504E+00 -1.7293E+01 1.5468E+01 O6 3664 15.999400 -0.847600 -3.8246E+00 1.1719E+01 -8.7731E+00 H1 3665 1.008000 0.423800 -4.3774E+00 1.2463E+01 -8.3974E+00 H2 3666 1.008000 0.423800 -3.8498E+00 1.0938E+01 -8.1497E+00 O6 3667 15.999400 -0.847600 -1.7540E+01 -1.2671E+01 -1.8779E+01 H1 3668 1.008000 0.423800 -1.7466E+01 -1.2818E+01 1.9332E+01 H2 3669 1.008000 0.423800 -1.8481E+01 -1.2841E+01 -1.8487E+01 O6 3670 15.999400 -0.847600 6.4768E+00 6.8699E+00 1.4317E+01 H1 3671 1.008000 0.423800 6.2360E+00 7.4837E+00 1.5069E+01 H2 3672 1.008000 0.423800 5.8593E+00 6.0834E+00 1.4318E+01 O6 3673 15.999400 -0.847600 7.1131E+00 -1.9361E+01 1.3443E+01 H1 3674 1.008000 0.423800 6.2828E+00 1.9218E+01 1.3239E+01 H2 3675 1.008000 0.423800 7.0517E+00 -1.8984E+01 1.4367E+01 O6 3676 15.999400 -0.847600 1.5272E+01 1.8213E+00 8.0417E+00 H1 3677 1.008000 0.423800 1.6010E+01 1.3559E+00 8.5298E+00 H2 3678 1.008000 0.423800 1.5662E+01 2.4499E+00 7.3687E+00 O6 3679 15.999400 -0.847600 -1.0450E+01 -1.3905E+01 -1.3252E+01 H1 3680 1.008000 0.423800 -1.0392E+01 -1.3863E+01 -1.4250E+01 H2 3681 1.008000 0.423800 -1.0496E+01 -1.4861E+01 -1.2961E+01 O6 3682 15.999400 -0.847600 -1.5301E+01 -9.4535E+00 1.3488E+01 H1 3683 1.008000 0.423800 -1.5649E+01 -1.0361E+01 1.3254E+01 H2 3684 1.008000 0.423800 -1.4871E+01 -9.0434E+00 1.2683E+01 O6 3685 15.999400 -0.847600 -1.4621E+01 8.8007E-01 -1.8186E+00 H1 3686 1.008000 0.423800 -1.5588E+01 7.2167E-01 -2.0160E+00 H2 3687 1.008000 0.423800 -1.4192E+01 1.9781E-02 -1.5435E+00 O6 3688 15.999400 -0.847600 2.2568E+00 6.3406E+00 6.3947E+00 H1 3689 1.008000 0.423800 1.5676E+00 5.6163E+00 6.4161E+00 H2 3690 1.008000 0.423800 2.7289E+00 6.3775E+00 7.2754E+00 O6 3691 15.999400 -0.847600 -1.5288E+01 4.1618E+00 1.1248E+01 H1 3692 1.008000 0.423800 -1.4898E+01 4.6204E+00 1.0449E+01 H2 3693 1.008000 0.423800 -1.5279E+01 4.7873E+00 1.2028E+01 O6 3694 15.999400 -0.847600 3.1253E+00 -1.3275E+01 1.6956E+01 H1 3695 1.008000 0.423800 3.8000E+00 -1.2945E+01 1.7616E+01 H2 3696 1.008000 0.423800 3.1097E+00 -1.2666E+01 1.6163E+01 O6 3697 15.999400 -0.847600 1.1577E+01 -5.8239E-01 6.7617E+00 H1 3698 1.008000 0.423800 1.0976E+01 -6.6263E-01 7.5576E+00 H2 3699 1.008000 0.423800 1.1463E+01 3.2097E-01 6.3482E+00 O6 3700 15.999400 -0.847600 -1.6925E+01 -1.6583E+00 -4.8849E+00 H1 3701 1.008000 0.423800 -1.7001E+01 -2.4049E+00 -4.2241E+00 H2 3702 1.008000 0.423800 -1.7583E+01 -9.4137E-01 -4.6552E+00 O6 3703 15.999400 -0.847600 -7.3395E+00 -1.8109E+01 1.3072E+01 H1 3704 1.008000 0.423800 -6.4691E+00 -1.7862E+01 1.3497E+01 H2 3705 1.008000 0.423800 -8.0765E+00 -1.8015E+01 1.3741E+01 O6 3706 15.999400 -0.847600 1.8613E+01 -1.8347E+01 -1.9329E+01 H1 3707 1.008000 0.423800 1.8104E+01 -1.7821E+01 -1.8649E+01 H2 3708 1.008000 0.423800 1.9188E+01 -1.7729E+01 1.9231E+01 O6 3709 15.999400 -0.847600 -1.3630E+01 1.1068E+01 8.8433E+00 H1 3710 1.008000 0.423800 -1.4222E+01 1.0367E+01 9.2409E+00 H2 3711 1.008000 0.423800 -1.3863E+01 1.1960E+01 9.2317E+00 O6 3712 15.999400 -0.847600 1.0336E+00 1.5659E+01 1.1737E+01 H1 3713 1.008000 0.423800 4.9299E-01 1.6500E+01 1.1735E+01 H2 3714 1.008000 0.423800 1.3529E+00 1.5466E+01 1.0809E+01 O6 3715 15.999400 -0.847600 -1.1321E+01 -1.8414E+01 1.1015E+01 H1 3716 1.008000 0.423800 -1.1221E+01 -1.8116E+01 1.0066E+01 H2 3717 1.008000 0.423800 -1.2268E+01 -1.8693E+01 1.1179E+01 O6 3718 15.999400 -0.847600 2.8907E+00 -1.8817E+01 9.8071E+00 H1 3719 1.008000 0.423800 2.4707E+00 -1.7982E+01 1.0162E+01 H2 3720 1.008000 0.423800 2.1756E+00 -1.9445E+01 9.5010E+00 O6 3721 15.999400 -0.847600 1.8658E+01 -1.8605E+01 -8.9805E+00 H1 3722 1.008000 0.423800 1.8527E+01 -1.9022E+01 -8.0811E+00 H2 3723 1.008000 0.423800 1.7818E+01 -1.8140E+01 -9.2587E+00 O6 3724 15.999400 -0.847600 5.1580E-01 -3.1367E+00 1.9268E+00 H1 3725 1.008000 0.423800 1.2717E+00 -2.7041E+00 1.4354E+00 H2 3726 1.008000 0.423800 -2.3785E-01 -2.4859E+00 2.0187E+00 O6 3727 15.999400 -0.847600 2.9628E+00 1.6690E+01 -1.5139E+01 H1 3728 1.008000 0.423800 2.9239E+00 1.7649E+01 -1.5421E+01 H2 3729 1.008000 0.423800 3.5127E+00 1.6172E+01 -1.5794E+01 O6 3730 15.999400 -0.847600 -1.5193E+00 2.1614E+00 -1.8733E+01 H1 3731 1.008000 0.423800 -2.4034E+00 2.5221E+00 -1.8436E+01 H2 3732 1.008000 0.423800 -9.2544E-01 2.0387E+00 -1.7938E+01 O6 3733 15.999400 -0.847600 -3.2585E+00 1.4974E+01 7.9702E+00 H1 3734 1.008000 0.423800 -4.0602E+00 1.4378E+01 7.9223E+00 H2 3735 1.008000 0.423800 -3.3735E+00 1.5628E+01 8.7179E+00 O6 3736 15.999400 -0.847600 1.1277E+01 8.6635E+00 1.3822E+01 H1 3737 1.008000 0.423800 1.1456E+01 7.6812E+00 1.3767E+01 H2 3738 1.008000 0.423800 1.0908E+01 8.9841E+00 1.2949E+01 O6 3739 15.999400 -0.847600 1.6707E+00 -2.6688E+00 5.2912E+00 H1 3740 1.008000 0.423800 1.2325E+00 -1.8340E+00 5.6245E+00 H2 3741 1.008000 0.423800 2.6341E+00 -2.4847E+00 5.0965E+00 O6 3742 15.999400 -0.847600 1.3429E+01 -1.7633E+01 2.0718E-01 H1 3743 1.008000 0.423800 1.4107E+01 -1.7074E+01 6.8532E-01 H2 3744 1.008000 0.423800 1.3878E+01 -1.8149E+01 -5.2241E-01 O6 3745 15.999400 -0.847600 -1.4563E+01 -1.2332E+01 4.4679E+00 H1 3746 1.008000 0.423800 -1.4687E+01 -1.2690E+01 3.5422E+00 H2 3747 1.008000 0.423800 -1.4351E+01 -1.3086E+01 5.0902E+00 O6 3748 15.999400 -0.847600 6.9048E+00 -1.5766E+01 -1.1619E+01 H1 3749 1.008000 0.423800 6.1740E+00 -1.5356E+01 -1.2165E+01 H2 3750 1.008000 0.423800 7.7696E+00 -1.5306E+01 -1.1821E+01 O6 3751 15.999400 -0.847600 -1.9386E+00 1.8048E+01 7.7973E+00 H1 3752 1.008000 0.423800 -1.0109E+00 1.7995E+01 8.1668E+00 H2 3753 1.008000 0.423800 -2.0731E+00 1.7317E+01 7.1286E+00 O6 3754 15.999400 -0.847600 9.9207E+00 -2.2480E+00 1.9386E+01 H1 3755 1.008000 0.423800 1.0297E+01 -1.9129E+00 1.8522E+01 H2 3756 1.008000 0.423800 9.9929E+00 -1.5326E+00 -1.9017E+01 O6 3757 15.999400 -0.847600 -1.5236E+01 -1.5041E+01 -1.9322E+01 H1 3758 1.008000 0.423800 -1.5452E+01 -1.5232E+01 1.8818E+01 H2 3759 1.008000 0.423800 -1.5913E+01 -1.4408E+01 -1.8948E+01 O6 3760 15.999400 -0.847600 -1.6238E+01 -9.7635E+00 -6.2381E+00 H1 3761 1.008000 0.423800 -1.6437E+01 -9.3278E+00 -7.1160E+00 H2 3762 1.008000 0.423800 -1.6821E+01 -9.3658E+00 -5.5294E+00 O6 3763 15.999400 -0.847600 -8.5875E+00 -1.2520E+01 -1.1748E+01 H1 3764 1.008000 0.423800 -9.2810E+00 -1.3093E+01 -1.2185E+01 H2 3765 1.008000 0.423800 -8.1598E+00 -1.3028E+01 -1.1000E+01 O6 3766 15.999400 -0.847600 1.4146E+01 -1.9326E-01 -8.0348E+00 H1 3767 1.008000 0.423800 1.3703E+01 5.9817E-01 -8.4563E+00 H2 3768 1.008000 0.423800 1.4876E+01 1.1806E-01 -7.4263E+00 O6 3769 15.999400 -0.847600 -2.5661E+00 6.1521E+00 -2.1253E+00 H1 3770 1.008000 0.423800 -2.1936E+00 6.4522E+00 -3.0035E+00 H2 3771 1.008000 0.423800 -3.5419E+00 6.3673E+00 -2.0862E+00 O6 3772 15.999400 -0.847600 -8.6282E+00 -5.1374E+00 -1.5127E+01 H1 3773 1.008000 0.423800 -8.8008E+00 -5.9532E+00 -1.5679E+01 H2 3774 1.008000 0.423800 -8.5849E+00 -5.3918E+00 -1.4161E+01 O6 3775 15.999400 -0.847600 -1.5391E+01 1.0437E+01 -1.3976E+01 H1 3776 1.008000 0.423800 -1.6112E+01 9.7831E+00 -1.4206E+01 H2 3777 1.008000 0.423800 -1.4790E+01 1.0041E+01 -1.3281E+01 O6 3778 15.999400 -0.847600 8.4970E-02 -1.0363E+01 -1.5359E+01 H1 3779 1.008000 0.423800 -6.3150E-01 -9.7097E+00 -1.5604E+01 H2 3780 1.008000 0.423800 5.1393E-01 -1.0081E+01 -1.4501E+01 O6 3781 15.999400 -0.847600 -5.1281E+00 -1.5554E+01 -1.0245E+01 H1 3782 1.008000 0.423800 -4.4705E+00 -1.4886E+01 -1.0593E+01 H2 3783 1.008000 0.423800 -5.8991E+00 -1.5075E+01 -9.8246E+00 O6 3784 15.999400 -0.847600 -1.0130E+01 -3.1787E+00 -7.4870E+00 H1 3785 1.008000 0.423800 -9.4388E+00 -3.0083E+00 -8.1892E+00 H2 3786 1.008000 0.423800 -9.6815E+00 -3.3157E+00 -6.6039E+00 O6 3787 15.999400 -0.847600 1.8048E+01 1.3054E+01 5.0604E+00 H1 3788 1.008000 0.423800 1.7683E+01 1.3583E+01 4.2945E+00 H2 3789 1.008000 0.423800 1.7728E+01 1.2109E+01 4.9959E+00 O6 3790 15.999400 -0.847600 -7.0320E+00 1.2844E+01 1.6054E+01 H1 3791 1.008000 0.423800 -8.0063E+00 1.2720E+01 1.6242E+01 H2 3792 1.008000 0.423800 -6.6008E+00 1.1951E+01 1.5927E+01 O6 3793 15.999400 -0.847600 -7.0426E+00 -1.1494E+01 1.4719E+01 H1 3794 1.008000 0.423800 -6.0766E+00 -1.1235E+01 1.4713E+01 H2 3795 1.008000 0.423800 -7.6072E+00 -1.0671E+01 1.4788E+01 O6 3796 15.999400 -0.847600 1.2182E+00 1.3255E+00 1.8300E+01 H1 3797 1.008000 0.423800 1.8308E+00 1.8110E+00 1.7676E+01 H2 3798 1.008000 0.423800 1.0619E+00 1.8835E+00 1.9115E+01 O6 3799 15.999400 -0.847600 3.8008E+00 6.6611E+00 1.5214E+01 H1 3800 1.008000 0.423800 3.5641E+00 6.3578E+00 1.6138E+01 H2 3801 1.008000 0.423800 3.1604E+00 7.3715E+00 1.4923E+01 O6 3802 15.999400 -0.847600 1.2437E+01 -8.2355E+00 1.8308E+01 H1 3803 1.008000 0.423800 1.3404E+01 -8.3063E+00 1.8063E+01 H2 3804 1.008000 0.423800 1.1878E+01 -8.3118E+00 1.7483E+01 O6 3805 15.999400 -0.847600 4.7505E-01 2.4541E+00 2.5613E+00 H1 3806 1.008000 0.423800 5.4318E-01 3.3640E+00 2.1520E+00 H2 3807 1.008000 0.423800 6.1848E-01 1.7599E+00 1.8560E+00 O6 3808 15.999400 -0.847600 -1.1712E+01 -1.6223E+01 -1.6463E+01 H1 3809 1.008000 0.423800 -1.2471E+01 -1.5573E+01 -1.6510E+01 H2 3810 1.008000 0.423800 -1.2038E+01 -1.7134E+01 -1.6714E+01 O6 3811 15.999400 -0.847600 -2.9746E+00 1.4629E+01 -3.5376E+00 H1 3812 1.008000 0.423800 -2.3035E+00 1.5357E+01 -3.6758E+00 H2 3813 1.008000 0.423800 -2.8394E+00 1.3916E+01 -4.2258E+00 O6 3814 15.999400 -0.847600 -1.7995E+01 -1.1796E+01 1.7914E+00 H1 3815 1.008000 0.423800 -1.7294E+01 -1.2405E+01 1.4211E+00 H2 3816 1.008000 0.423800 -1.7646E+01 -1.0859E+01 1.8131E+00 O6 3817 15.999400 -0.847600 -7.2647E+00 1.5714E+01 8.5076E+00 H1 3818 1.008000 0.423800 -7.2334E+00 1.5801E+01 9.5034E+00 H2 3819 1.008000 0.423800 -6.9127E+00 1.4818E+01 8.2398E+00 O6 3820 15.999400 -0.847600 -1.2660E+01 2.9202E+00 8.9936E+00 H1 3821 1.008000 0.423800 -1.2719E+01 3.4269E+00 9.8537E+00 H2 3822 1.008000 0.423800 -1.3572E+01 2.8331E+00 8.5943E+00 O6 3823 15.999400 -0.847600 1.5580E+01 -7.9033E+00 1.2909E+01 H1 3824 1.008000 0.423800 1.5562E+01 -8.9008E+00 1.2840E+01 H2 3825 1.008000 0.423800 1.6099E+01 -7.5256E+00 1.2142E+01 O6 3826 15.999400 -0.847600 1.2814E+00 1.2842E+01 3.9221E+00 H1 3827 1.008000 0.423800 5.4627E-01 1.3419E+01 3.5665E+00 H2 3828 1.008000 0.423800 1.2499E+00 1.1949E+01 3.4741E+00 O6 3829 15.999400 -0.847600 -8.5959E+00 1.0417E+01 3.1344E+00 H1 3830 1.008000 0.423800 -8.5660E+00 9.4203E+00 3.0547E+00 H2 3831 1.008000 0.423800 -8.6867E+00 1.0821E+01 2.2244E+00 O6 3832 15.999400 -0.847600 -1.3690E+01 3.7940E+00 1.5868E+01 H1 3833 1.008000 0.423800 -1.3312E+01 4.0209E+00 1.6766E+01 H2 3834 1.008000 0.423800 -1.4479E+01 4.3800E+00 1.5681E+01 O6 3835 15.999400 -0.847600 2.1185E+00 -6.8861E+00 -1.2594E+01 H1 3836 1.008000 0.423800 1.2936E+00 -6.4384E+00 -1.2249E+01 H2 3837 1.008000 0.423800 2.2548E+00 -6.6400E+00 -1.3553E+01 O6 3838 15.999400 -0.847600 1.8857E+01 7.7966E+00 -1.6153E+01 H1 3839 1.008000 0.423800 1.9183E+01 8.6795E+00 -1.5814E+01 H2 3840 1.008000 0.423800 1.9147E+01 7.0724E+00 -1.5527E+01 O6 3841 15.999400 -0.847600 -1.5497E+01 6.7315E+00 1.2707E+01 H1 3842 1.008000 0.423800 -1.4583E+01 7.0770E+00 1.2496E+01 H2 3843 1.008000 0.423800 -1.6144E+01 7.4939E+00 1.2734E+01 O6 3844 15.999400 -0.847600 5.9101E+00 1.6388E+01 -1.0448E+01 H1 3845 1.008000 0.423800 5.3597E+00 1.6124E+01 -9.6556E+00 H2 3846 1.008000 0.423800 5.3426E+00 1.6365E+01 -1.1271E+01 O6 3847 15.999400 -0.847600 1.7426E+01 -1.3383E+01 9.2333E-01 H1 3848 1.008000 0.423800 1.7870E+01 -1.2507E+01 1.1115E+00 H2 3849 1.008000 0.423800 1.7310E+01 -1.3889E+01 1.7785E+00 O6 3850 15.999400 -0.847600 5.7816E+00 1.9521E+01 -1.3662E+01 H1 3851 1.008000 0.423800 5.4931E+00 -1.9223E+01 -1.4552E+01 H2 3852 1.008000 0.423800 6.7749E+00 1.9406E+01 -1.3655E+01 O6 3853 15.999400 -0.847600 -1.3217E+01 -1.5164E+01 1.3715E+01 H1 3854 1.008000 0.423800 -1.2398E+01 -1.4617E+01 1.3886E+01 H2 3855 1.008000 0.423800 -1.3815E+01 -1.4677E+01 1.3078E+01 O6 3856 15.999400 -0.847600 -1.1874E+01 2.6318E+00 4.5943E+00 H1 3857 1.008000 0.423800 -1.1612E+01 1.6675E+00 4.6300E+00 H2 3858 1.008000 0.423800 -1.2802E+01 2.7382E+00 4.9521E+00 O6 3859 15.999400 -0.847600 4.3372E+00 4.6418E+00 1.3724E+01 H1 3860 1.008000 0.423800 5.0171E+00 4.0589E+00 1.4169E+01 H2 3861 1.008000 0.423800 4.0852E+00 5.3891E+00 1.4339E+01 O6 3862 15.999400 -0.847600 9.6727E+00 -1.8327E+01 1.9109E+01 H1 3863 1.008000 0.423800 1.0576E+01 -1.8246E+01 1.9531E+01 H2 3864 1.008000 0.423800 9.4349E+00 -1.9294E+01 1.9015E+01 O6 3865 15.999400 -0.847600 -8.0085E+00 -8.6439E+00 -1.1585E+01 H1 3866 1.008000 0.423800 -7.5107E+00 -8.5213E+00 -1.2444E+01 H2 3867 1.008000 0.423800 -8.8148E+00 -9.2131E+00 -1.1746E+01 O6 3868 15.999400 -0.847600 8.1189E+00 -6.0744E+00 -5.5501E+00 H1 3869 1.008000 0.423800 8.2068E+00 -6.7698E+00 -4.8368E+00 H2 3870 1.008000 0.423800 9.0223E+00 -5.7058E+00 -5.7692E+00 O6 3871 15.999400 -0.847600 1.2815E+01 -1.9314E+01 -3.0370E+00 H1 3872 1.008000 0.423800 1.2988E+01 -1.8330E+01 -2.9791E+00 H2 3873 1.008000 0.423800 1.3001E+01 1.9467E+01 -3.9671E+00 O6 3874 15.999400 -0.847600 1.8610E+01 -6.0861E+00 -5.2056E+00 H1 3875 1.008000 0.423800 1.9521E+01 -5.7395E+00 -5.4274E+00 H2 3876 1.008000 0.423800 1.8238E+01 -6.5751E+00 -5.9947E+00 O6 3877 15.999400 -0.847600 7.9350E+00 2.7830E+00 8.2995E+00 H1 3878 1.008000 0.423800 7.0416E+00 2.3901E+00 8.0816E+00 H2 3879 1.008000 0.423800 8.4956E+00 2.8156E+00 7.4720E+00 O6 3880 15.999400 -0.847600 -1.4133E+01 7.7992E+00 -9.2545E+00 H1 3881 1.008000 0.423800 -1.3424E+01 7.1030E+00 -9.1401E+00 H2 3882 1.008000 0.423800 -1.4435E+01 7.8139E+00 -1.0208E+01 O6 3883 15.999400 -0.847600 -4.2290E+00 2.0878E+00 3.4586E+00 H1 3884 1.008000 0.423800 -3.4585E+00 2.7239E+00 3.5002E+00 H2 3885 1.008000 0.423800 -5.0508E+00 2.5362E+00 3.8102E+00 O6 3886 15.999400 -0.847600 2.8469E+00 -1.6486E+01 -1.4224E+01 H1 3887 1.008000 0.423800 2.8549E+00 -1.7444E+01 -1.3934E+01 H2 3888 1.008000 0.423800 3.6276E+00 -1.6009E+01 -1.3820E+01 O6 3889 15.999400 -0.847600 -9.9977E+00 1.0585E+01 -9.7696E+00 H1 3890 1.008000 0.423800 -1.0952E+01 1.0754E+01 -1.0016E+01 H2 3891 1.008000 0.423800 -9.9557E+00 1.0190E+01 -8.8516E+00 O6 3892 15.999400 -0.847600 6.7741E+00 -1.1146E+01 8.9598E+00 H1 3893 1.008000 0.423800 6.0692E+00 -1.0517E+01 9.2874E+00 H2 3894 1.008000 0.423800 6.8515E+00 -1.1071E+01 7.9656E+00 O6 3895 15.999400 -0.847600 1.2747E+01 3.6279E+00 -1.2739E+01 H1 3896 1.008000 0.423800 1.3013E+01 4.4240E+00 -1.2195E+01 H2 3897 1.008000 0.423800 1.2119E+01 3.0574E+00 -1.2210E+01 O6 3898 15.999400 -0.847600 1.0354E+01 3.9571E+00 -1.4405E+01 H1 3899 1.008000 0.423800 1.1216E+01 3.6228E+00 -1.4023E+01 H2 3900 1.008000 0.423800 9.5957E+00 3.6579E+00 -1.3826E+01 O6 3901 15.999400 -0.847600 4.1634E+00 -4.8170E+00 5.2329E-01 H1 3902 1.008000 0.423800 4.7272E+00 -5.4048E+00 1.1034E+00 H2 3903 1.008000 0.423800 4.3783E+00 -4.9921E+00 -4.3749E-01 O6 3904 15.999400 -0.847600 -1.4043E+01 1.1207E+01 -1.7559E+01 H1 3905 1.008000 0.423800 -1.4891E+01 1.0739E+01 -1.7309E+01 H2 3906 1.008000 0.423800 -1.3479E+01 1.0599E+01 -1.8118E+01 O6 3907 15.999400 -0.847600 1.8398E+01 9.5054E+00 7.7087E+00 H1 3908 1.008000 0.423800 1.9361E+01 9.6713E+00 7.9225E+00 H2 3909 1.008000 0.423800 1.7828E+01 1.0152E+01 8.2154E+00 O6 3910 15.999400 -0.847600 1.1032E+01 -1.4674E+01 -4.6580E+00 H1 3911 1.008000 0.423800 1.0615E+01 -1.3781E+01 -4.8253E+00 H2 3912 1.008000 0.423800 1.0669E+01 -1.5058E+01 -3.8094E+00 O6 3913 15.999400 -0.847600 1.3949E+00 -1.6895E+01 -4.8396E+00 H1 3914 1.008000 0.423800 8.4557E-01 -1.7063E+01 -4.0211E+00 H2 3915 1.008000 0.423800 2.3316E+00 -1.7208E+01 -4.6823E+00 O6 3916 15.999400 -0.847600 2.4652E+00 7.2943E+00 1.1907E+01 H1 3917 1.008000 0.423800 2.0615E+00 6.5470E+00 1.2434E+01 H2 3918 1.008000 0.423800 2.0846E+00 8.1653E+00 1.2217E+01 O6 3919 15.999400 -0.847600 -1.3534E+01 -5.9635E+00 -9.8854E+00 H1 3920 1.008000 0.423800 -1.3733E+01 -6.9436E+00 -9.8898E+00 H2 3921 1.008000 0.423800 -1.3206E+01 -5.6858E+00 -1.0788E+01 O6 3922 15.999400 -0.847600 1.6357E+01 -3.7165E+00 -4.2629E+00 H1 3923 1.008000 0.423800 1.6459E+01 -3.9438E+00 -5.2314E+00 H2 3924 1.008000 0.423800 1.7233E+01 -3.8401E+00 -3.7976E+00 O6 3925 15.999400 -0.847600 -5.2514E+00 -8.8012E+00 5.5241E+00 H1 3926 1.008000 0.423800 -5.3121E+00 -7.9612E+00 4.9850E+00 H2 3927 1.008000 0.423800 -5.2792E+00 -9.5922E+00 4.9130E+00 O6 3928 15.999400 -0.847600 1.6285E+01 7.0724E-01 -6.6630E+00 H1 3929 1.008000 0.423800 1.6282E+01 1.7053E+00 -6.5998E+00 H2 3930 1.008000 0.423800 1.5739E+01 3.2438E-01 -5.9178E+00 O6 3931 15.999400 -0.847600 7.1746E+00 2.3390E+00 -3.5648E+00 H1 3932 1.008000 0.423800 6.4326E+00 2.9255E+00 -3.2399E+00 H2 3933 1.008000 0.423800 8.0186E+00 2.5707E+00 -3.0810E+00 O6 3934 15.999400 -0.847600 -1.4028E+01 2.6843E+00 -1.0521E+01 H1 3935 1.008000 0.423800 -1.4590E+01 2.6703E+00 -1.1348E+01 H2 3936 1.008000 0.423800 -1.4527E+01 2.2501E+00 -9.7714E+00 O6 3937 15.999400 -0.847600 -1.0134E+01 -8.2902E+00 1.2108E+01 H1 3938 1.008000 0.423800 -1.0307E+01 -7.8551E+00 1.1224E+01 H2 3939 1.008000 0.423800 -1.0490E+01 -9.2243E+00 1.2095E+01 O6 3940 15.999400 -0.847600 -1.3659E+01 -1.3888E+01 -1.5327E+01 H1 3941 1.008000 0.423800 -1.3643E+01 -1.3623E+01 -1.4363E+01 H2 3942 1.008000 0.423800 -1.4120E+01 -1.3179E+01 -1.5860E+01 O6 3943 15.999400 -0.847600 -1.4814E+01 -1.3058E+01 1.0620E+01 H1 3944 1.008000 0.423800 -1.5502E+01 -1.2960E+01 9.9012E+00 H2 3945 1.008000 0.423800 -1.3942E+01 -1.3330E+01 1.0212E+01 O6 3946 15.999400 -0.847600 1.8799E+01 1.0530E+01 -5.6165E-02 H1 3947 1.008000 0.423800 1.8209E+01 9.9560E+00 -6.2454E-01 H2 3948 1.008000 0.423800 -1.9342E+01 1.0289E+01 -2.1848E-01 O6 3949 15.999400 -0.847600 1.1321E+01 1.8842E+01 1.1167E+01 H1 3950 1.008000 0.423800 1.2297E+01 1.8997E+01 1.1314E+01 H2 3951 1.008000 0.423800 1.0824E+01 1.9015E+01 1.2017E+01 O6 3952 15.999400 -0.847600 1.7609E+01 3.2092E-01 4.3683E+00 H1 3953 1.008000 0.423800 1.7415E+01 3.4018E-01 5.3492E+00 H2 3954 1.008000 0.423800 1.6960E+01 -2.8814E-01 3.9123E+00 O6 3955 15.999400 -0.847600 -1.2308E+01 -9.0233E+00 -9.4631E-01 H1 3956 1.008000 0.423800 -1.2710E+01 -9.9385E+00 -9.1895E-01 H2 3957 1.008000 0.423800 -1.1965E+01 -8.8374E+00 -1.8670E+00 O6 3958 15.999400 -0.847600 -1.2463E+01 1.4969E+01 1.5806E+01 H1 3959 1.008000 0.423800 -1.2121E+01 1.5479E+01 1.6595E+01 H2 3960 1.008000 0.423800 -1.3297E+01 1.5404E+01 1.5464E+01 O6 3961 15.999400 -0.847600 1.2058E+01 -1.9131E+01 -1.9249E+01 H1 3962 1.008000 0.423800 1.2245E+01 -1.9145E+01 -1.8267E+01 H2 3963 1.008000 0.423800 1.1954E+01 1.9030E+01 1.9515E+01 O6 3964 15.999400 -0.847600 -2.6580E+00 4.5446E+00 -1.0197E+01 H1 3965 1.008000 0.423800 -3.2436E+00 3.7343E+00 -1.0174E+01 H2 3966 1.008000 0.423800 -2.8027E+00 5.0359E+00 -1.1056E+01 O6 3967 15.999400 -0.847600 1.8132E+01 -1.8779E+01 9.0061E+00 H1 3968 1.008000 0.423800 1.7632E+01 -1.9466E+01 9.5331E+00 H2 3969 1.008000 0.423800 1.8231E+01 -1.9090E+01 8.0610E+00 O6 3970 15.999400 -0.847600 -1.4824E+00 -7.7222E+00 -1.3075E+01 H1 3971 1.008000 0.423800 -1.4378E+00 -7.2275E+00 -1.2207E+01 H2 3972 1.008000 0.423800 -9.2313E-01 -7.2504E+00 -1.3757E+01 O6 3973 15.999400 -0.847600 7.9842E+00 -1.4194E+01 -1.6017E+01 H1 3974 1.008000 0.423800 8.1996E+00 -1.4142E+01 -1.6992E+01 H2 3975 1.008000 0.423800 8.8326E+00 -1.4193E+01 -1.5488E+01 O6 3976 15.999400 -0.847600 -2.9821E+00 9.3243E+00 -1.0225E+01 H1 3977 1.008000 0.423800 -3.1877E+00 1.0071E+01 -9.5922E+00 H2 3978 1.008000 0.423800 -3.8132E+00 9.0668E+00 -1.0718E+01 O6 3979 15.999400 -0.847600 2.6286E+00 -1.0991E+01 -2.2637E+00 H1 3980 1.008000 0.423800 3.2737E+00 -1.1732E+01 -2.0750E+00 H2 3981 1.008000 0.423800 1.9585E+00 -1.1297E+01 -2.9399E+00 O6 3982 15.999400 -0.847600 2.2432E+00 -3.4623E+00 -3.3078E+00 H1 3983 1.008000 0.423800 1.7739E+00 -2.6820E+00 -2.8942E+00 H2 3984 1.008000 0.423800 2.4516E+00 -3.2573E+00 -4.2641E+00 O6 3985 15.999400 -0.847600 1.6331E+01 -1.4332E+01 -1.1667E+01 H1 3986 1.008000 0.423800 1.6631E+01 -1.3379E+01 -1.1688E+01 H2 3987 1.008000 0.423800 1.6248E+01 -1.4676E+01 -1.2602E+01 O6 3988 15.999400 -0.847600 -1.4080E+00 5.5451E+00 7.9533E+00 H1 3989 1.008000 0.423800 -1.0331E+00 6.3730E+00 8.3705E+00 H2 3990 1.008000 0.423800 -1.8269E+00 4.9757E+00 8.6606E+00 O6 3991 15.999400 -0.847600 -5.2047E+00 1.8978E+01 -1.0846E+01 H1 3992 1.008000 0.423800 -5.7437E+00 1.9471E+01 -1.0162E+01 H2 3993 1.008000 0.423800 -5.6831E+00 1.8140E+01 -1.1106E+01 O6 3994 15.999400 -0.847600 1.1982E+01 -1.7640E+00 -7.0111E+00 H1 3995 1.008000 0.423800 1.1917E+01 -1.9254E+00 -7.9959E+00 H2 3996 1.008000 0.423800 1.2559E+01 -9.6556E-01 -6.8414E+00 O6 3997 15.999400 -0.847600 5.9681E+00 -1.4808E+00 -7.2314E-01 H1 3998 1.008000 0.423800 5.2405E+00 -9.4025E-01 -3.0084E-01 H2 3999 1.008000 0.423800 6.1843E+00 -1.1030E+00 -1.6234E+00 O6 4000 15.999400 -0.847600 1.7484E+01 1.1159E+01 1.5571E+01 H1 4001 1.008000 0.423800 1.7257E+01 1.1334E+01 1.6529E+01 H2 4002 1.008000 0.423800 1.8258E+01 1.1732E+01 1.5302E+01 O6 4003 15.999400 -0.847600 1.4173E+01 -5.2119E+00 1.2520E+01 H1 4004 1.008000 0.423800 1.4485E+01 -6.1422E+00 1.2713E+01 H2 4005 1.008000 0.423800 1.3377E+01 -5.2461E+00 1.1916E+01 O6 4006 15.999400 -0.847600 -1.8022E+01 1.8527E+01 2.5814E+00 H1 4007 1.008000 0.423800 -1.7836E+01 1.9509E+01 2.5409E+00 H2 4008 1.008000 0.423800 -1.8477E+01 1.8310E+01 3.4450E+00 O6 4009 15.999400 -0.847600 -3.9093E+00 -9.8952E+00 8.6379E+00 H1 4010 1.008000 0.423800 -4.7452E+00 -9.6131E+00 8.1669E+00 H2 4011 1.008000 0.423800 -3.9379E+00 -1.0880E+01 8.8061E+00 O6 4012 15.999400 -0.847600 1.8066E+01 -5.9157E+00 -1.4912E+01 H1 4013 1.008000 0.423800 1.8059E+01 -4.9978E+00 -1.4515E+01 H2 4014 1.008000 0.423800 1.7622E+01 -5.8953E+00 -1.5807E+01 O6 4015 15.999400 -0.847600 -5.4134E+00 1.8509E+01 1.4004E+01 H1 4016 1.008000 0.423800 -5.4413E+00 1.7517E+01 1.4128E+01 H2 4017 1.008000 0.423800 -6.3414E+00 1.8854E+01 1.3863E+01 O6 4018 15.999400 -0.847600 1.7924E+01 9.8185E+00 -5.8183E+00 H1 4019 1.008000 0.423800 1.8226E+01 1.0695E+01 -6.1927E+00 H2 4020 1.008000 0.423800 1.7789E+01 9.9064E+00 -4.8314E+00 O6 4021 15.999400 -0.847600 -1.8155E+01 -1.6423E+01 -1.2119E+01 H1 4022 1.008000 0.423800 -1.7422E+01 -1.7076E+01 -1.1928E+01 H2 4023 1.008000 0.423800 -1.7852E+01 -1.5501E+01 -1.1877E+01 O6 4024 15.999400 -0.847600 7.9348E+00 1.8801E+01 8.8694E-01 H1 4025 1.008000 0.423800 8.4172E+00 1.7927E+01 8.2861E-01 H2 4026 1.008000 0.423800 7.2665E+00 1.8764E+01 1.6298E+00 O6 4027 15.999400 -0.847600 1.8059E+01 -1.0654E+01 1.7211E+01 H1 4028 1.008000 0.423800 1.7565E+01 -9.9422E+00 1.6711E+01 H2 4029 1.008000 0.423800 1.8870E+01 -1.0924E+01 1.6692E+01 O6 4030 15.999400 -0.847600 1.1731E+01 -3.4060E+00 -1.3846E+01 H1 4031 1.008000 0.423800 1.2205E+01 -4.0161E+00 -1.3212E+01 H2 4032 1.008000 0.423800 1.0757E+01 -3.6321E+00 -1.3861E+01 O6 4033 15.999400 -0.847600 -1.3635E+01 -6.9099E+00 -1.2555E+01 H1 4034 1.008000 0.423800 -1.3668E+01 -7.8771E+00 -1.2303E+01 H2 4035 1.008000 0.423800 -1.3575E+01 -6.8265E+00 -1.3550E+01 O6 4036 15.999400 -0.847600 1.2846E+01 8.9096E-01 9.2491E+00 H1 4037 1.008000 0.423800 1.1990E+01 1.3607E+00 9.0336E+00 H2 4038 1.008000 0.423800 1.3616E+01 1.4253E+00 8.9007E+00 O6 4039 15.999400 -0.847600 -1.3226E+01 1.7547E+01 4.8565E+00 H1 4040 1.008000 0.423800 -1.3349E+01 1.7468E+01 3.8673E+00 H2 4041 1.008000 0.423800 -1.2719E+01 1.8384E+01 5.0630E+00 O6 4042 15.999400 -0.847600 -2.0144E+00 -2.4530E+00 -2.7463E+00 H1 4043 1.008000 0.423800 -1.3643E+00 -3.2117E+00 -2.7886E+00 H2 4044 1.008000 0.423800 -2.2603E+00 -2.1727E+00 -3.6742E+00 O6 4045 15.999400 -0.847600 1.6166E+01 1.5152E+01 -7.5516E+00 H1 4046 1.008000 0.423800 1.5315E+01 1.5661E+01 -7.6797E+00 H2 4047 1.008000 0.423800 1.6012E+01 1.4187E+01 -7.7646E+00 O6 4048 15.999400 -0.847600 1.8298E+01 1.5320E+01 9.0720E+00 H1 4049 1.008000 0.423800 1.7819E+01 1.4639E+01 8.5175E+00 H2 4050 1.008000 0.423800 1.9284E+01 1.5232E+01 8.9295E+00 O6 4051 15.999400 -0.847600 -9.0271E+00 -8.4479E+00 1.8850E+01 H1 4052 1.008000 0.423800 -9.0347E+00 -7.4560E+00 1.8977E+01 H2 4053 1.008000 0.423800 -9.5158E+00 -8.8845E+00 -1.9492E+01 O6 4054 15.999400 -0.847600 1.4971E+01 -1.8291E+01 8.6877E+00 H1 4055 1.008000 0.423800 1.4497E+01 -1.8933E+01 8.0843E+00 H2 4056 1.008000 0.423800 1.5902E+01 -1.8144E+01 8.3538E+00 O6 4057 15.999400 -0.847600 4.4802E-01 2.0149E+00 -1.6601E+01 H1 4058 1.008000 0.423800 5.0205E-01 1.3413E+00 -1.5864E+01 H2 4059 1.008000 0.423800 5.2836E-01 2.9352E+00 -1.6218E+01 O6 4060 15.999400 -0.847600 -1.8212E+01 -1.7140E+01 1.5557E+01 H1 4061 1.008000 0.423800 -1.9086E+01 -1.7165E+01 1.5074E+01 H2 4062 1.008000 0.423800 -1.8191E+01 -1.7864E+01 1.6247E+01 O6 4063 15.999400 -0.847600 -9.4871E+00 1.4167E+01 4.1095E+00 H1 4064 1.008000 0.423800 -9.1345E+00 1.4110E+01 5.0436E+00 H2 4065 1.008000 0.423800 -8.7225E+00 1.4187E+01 3.4654E+00 O6 4066 15.999400 -0.847600 -1.7015E+01 1.2274E+01 8.0704E+00 H1 4067 1.008000 0.423800 -1.7559E+01 1.2667E+01 7.3293E+00 H2 4068 1.008000 0.423800 -1.6048E+01 1.2478E+01 7.9180E+00 O6 4069 15.999400 -0.847600 -1.3052E+00 -1.8654E+01 -1.3461E+01 H1 4070 1.008000 0.423800 -1.9011E+00 -1.8283E+01 -1.2748E+01 H2 4071 1.008000 0.423800 -9.8922E-01 -1.7911E+01 -1.4051E+01 O6 4072 15.999400 -0.847600 3.4094E+00 -1.5032E+01 -1.0119E+01 H1 4073 1.008000 0.423800 3.1021E+00 -1.5846E+01 -1.0611E+01 H2 4074 1.008000 0.423800 3.3322E+00 -1.4233E+01 -1.0715E+01 O6 4075 15.999400 -0.847600 -7.6772E+00 9.8844E-01 -1.5835E+01 H1 4076 1.008000 0.423800 -8.1106E+00 1.7349E+00 -1.5330E+01 H2 4077 1.008000 0.423800 -7.8983E+00 1.0710E+00 -1.6807E+01 O6 4078 15.999400 -0.847600 2.8196E+00 -1.0047E+01 9.9274E+00 H1 4079 1.008000 0.423800 2.3368E+00 -9.5046E+00 1.0615E+01 H2 4080 1.008000 0.423800 3.7215E+00 -9.6479E+00 9.7617E+00 O6 4081 15.999400 -0.847600 4.6717E-01 -1.8079E+01 -1.6867E+01 H1 4082 1.008000 0.423800 -4.0470E-01 -1.8481E+01 -1.7146E+01 H2 4083 1.008000 0.423800 3.3535E-01 -1.7544E+01 -1.6032E+01 O6 4084 15.999400 -0.847600 1.1474E+01 1.0465E+01 8.0306E+00 H1 4085 1.008000 0.423800 1.1590E+01 9.9171E+00 7.2022E+00 H2 4086 1.008000 0.423800 1.1945E+01 1.0021E+01 8.7927E+00 O6 4087 15.999400 -0.847600 -5.6510E+00 1.3337E+01 7.5967E+00 H1 4088 1.008000 0.423800 -5.8097E+00 1.2454E+01 8.0387E+00 H2 4089 1.008000 0.423800 -5.7342E+00 1.3233E+01 6.6056E+00 O6 4090 15.999400 -0.847600 -1.9383E+01 7.9903E+00 -6.3791E+00 H1 4091 1.008000 0.423800 1.9075E+01 8.6883E+00 -6.0583E+00 H2 4092 1.008000 0.423800 -1.9492E+01 7.1609E+00 -5.8312E+00 O6 4093 15.999400 -0.847600 -7.2505E+00 -8.0579E+00 1.1891E+01 H1 4094 1.008000 0.423800 -6.9069E+00 -7.7468E+00 1.1005E+01 H2 4095 1.008000 0.423800 -8.2188E+00 -8.2936E+00 1.1809E+01 O6 4096 15.999400 -0.847600 -3.0592E+00 -2.0675E+00 1.1228E+01 H1 4097 1.008000 0.423800 -4.0148E+00 -2.3376E+00 1.1110E+01 H2 4098 1.008000 0.423800 -2.8117E+00 -1.4009E+00 1.0525E+01 O6 4099 15.999400 -0.847600 -1.5421E+01 9.2623E+00 9.9461E+00 H1 4100 1.008000 0.423800 -1.5793E+01 1.0038E+01 1.0457E+01 H2 4101 1.008000 0.423800 -1.5903E+01 8.4271E+00 1.0211E+01 O6 4102 15.999400 -0.847600 -1.7317E-01 -1.0557E+01 1.7629E+01 H1 4103 1.008000 0.423800 6.3087E-01 -1.0265E+01 1.8148E+01 H2 4104 1.008000 0.423800 1.1806E-01 -1.0965E+01 1.6764E+01 O6 4105 15.999400 -0.847600 1.4166E+01 -1.5066E+00 2.3369E-01 H1 4106 1.008000 0.423800 1.3283E+01 -1.2330E+00 -1.4577E-01 H2 4107 1.008000 0.423800 1.4593E+01 -2.1810E+00 -3.6872E-01 O6 4108 15.999400 -0.847600 -1.7376E+01 -1.4105E-02 1.1749E+01 H1 4109 1.008000 0.423800 -1.6473E+01 -9.6050E-02 1.2170E+01 H2 4110 1.008000 0.423800 -1.7788E+01 -9.2148E-01 1.1664E+01 O6 4111 15.999400 -0.847600 9.1149E+00 -1.0996E+01 1.0176E+01 H1 4112 1.008000 0.423800 9.9806E+00 -1.1202E+01 9.7200E+00 H2 4113 1.008000 0.423800 8.3736E+00 -1.1007E+01 9.5052E+00 O6 4114 15.999400 -0.847600 -3.0056E+00 -1.0151E+01 -1.5598E+01 H1 4115 1.008000 0.423800 -3.6695E+00 -1.0896E+01 -1.5539E+01 H2 4116 1.008000 0.423800 -3.3776E+00 -9.3372E+00 -1.5151E+01 O6 4117 15.999400 -0.847600 -1.1205E+01 1.4371E+01 1.2474E+01 H1 4118 1.008000 0.423800 -1.1534E+01 1.3428E+01 1.2423E+01 H2 4119 1.008000 0.423800 -1.0205E+01 1.4376E+01 1.2451E+01 O6 4120 15.999400 -0.847600 9.6322E+00 1.1302E+01 -6.1087E+00 H1 4121 1.008000 0.423800 9.1666E+00 1.1614E+01 -6.9371E+00 H2 4122 1.008000 0.423800 9.6302E+00 1.2036E+01 -5.4293E+00 O6 4123 15.999400 -0.847600 9.6774E+00 8.8216E+00 1.1856E+01 H1 4124 1.008000 0.423800 9.2615E+00 7.9989E+00 1.2243E+01 H2 4125 1.008000 0.423800 9.4236E+00 8.9009E+00 1.0892E+01 O6 4126 15.999400 -0.847600 1.6726E+01 1.3395E+01 7.4211E+00 H1 4127 1.008000 0.423800 1.7114E+01 1.3203E+01 6.5196E+00 H2 4128 1.008000 0.423800 1.6651E+01 1.2543E+01 7.9399E+00 O6 4129 15.999400 -0.847600 1.2081E+00 1.8703E+01 1.3747E+01 H1 4130 1.008000 0.423800 2.0144E+00 1.9294E+01 1.3737E+01 H2 4131 1.008000 0.423800 1.3190E+00 1.8000E+01 1.4449E+01 O6 4132 15.999400 -0.847600 1.5370E+01 1.3329E+01 1.2338E+01 H1 4133 1.008000 0.423800 1.6323E+01 1.3483E+01 1.2076E+01 H2 4134 1.008000 0.423800 1.5323E+01 1.2579E+01 1.2998E+01 O6 4135 15.999400 -0.847600 7.6839E+00 -9.4839E+00 -9.2243E+00 H1 4136 1.008000 0.423800 6.8811E+00 -9.6703E+00 -9.7907E+00 H2 4137 1.008000 0.423800 7.4808E+00 -8.7335E+00 -8.5952E+00 O6 4138 15.999400 -0.847600 1.1518E+01 -1.5183E+01 7.2176E+00 H1 4139 1.008000 0.423800 1.1583E+01 -1.5978E+01 6.6148E+00 H2 4140 1.008000 0.423800 1.0812E+01 -1.4562E+01 6.8757E+00 O6 4141 15.999400 -0.847600 3.7578E-01 1.6546E+01 -1.4446E+01 H1 4142 1.008000 0.423800 1.4962E-01 1.5589E+01 -1.4267E+01 H2 4143 1.008000 0.423800 1.3292E+00 1.6614E+01 -1.4740E+01 O6 4144 15.999400 -0.847600 -1.2715E+01 -1.1408E+01 1.4351E+01 H1 4145 1.008000 0.423800 -1.2048E+01 -1.1895E+01 1.4915E+01 H2 4146 1.008000 0.423800 -1.2285E+01 -1.1132E+01 1.3491E+01 O6 4147 15.999400 -0.847600 -1.9804E+00 1.7218E+01 1.4784E+01 H1 4148 1.008000 0.423800 -2.5076E+00 1.6612E+01 1.5380E+01 H2 4149 1.008000 0.423800 -2.5024E+00 1.7403E+01 1.3952E+01 O6 4150 15.999400 -0.847600 1.5795E+01 -9.9435E+00 5.4964E+00 H1 4151 1.008000 0.423800 1.5363E+01 -9.0425E+00 5.4646E+00 H2 4152 1.008000 0.423800 1.6397E+01 -9.9963E+00 6.2932E+00 O6 4153 15.999400 -0.847600 5.0870E+00 -6.9052E+00 2.5906E+00 H1 4154 1.008000 0.423800 6.0381E+00 -7.2016E+00 2.6782E+00 H2 4155 1.008000 0.423800 4.7002E+00 -6.7530E+00 3.5001E+00 O6 4156 15.999400 -0.847600 1.8580E+01 2.5481E-03 1.1930E+01 H1 4157 1.008000 0.423800 1.8052E+01 -5.3048E-01 1.2591E+01 H2 4158 1.008000 0.423800 1.8985E+01 7.9421E-01 1.2387E+01 O6 4159 15.999400 -0.847600 3.9611E+00 1.3359E+01 1.7700E+01 H1 4160 1.008000 0.423800 4.7500E+00 1.2806E+01 1.7970E+01 H2 4161 1.008000 0.423800 3.7779E+00 1.3224E+01 1.6726E+01 O6 4162 15.999400 -0.847600 1.6027E+01 -3.7915E+00 -9.8299E+00 H1 4163 1.008000 0.423800 1.5906E+01 -3.2826E+00 -1.0682E+01 H2 4164 1.008000 0.423800 1.6766E+01 -4.4569E+00 -9.9409E+00 O6 4165 15.999400 -0.847600 1.8311E-01 2.2549E+00 -1.2696E+01 H1 4166 1.008000 0.423800 5.9368E-01 1.5660E+00 -1.3294E+01 H2 4167 1.008000 0.423800 8.0160E-01 3.0365E+00 -1.2615E+01 O6 4168 15.999400 -0.847600 9.3486E+00 -5.4102E+00 1.0329E+01 H1 4169 1.008000 0.423800 9.1922E+00 -4.4234E+00 1.0372E+01 H2 4170 1.008000 0.423800 8.4696E+00 -5.8856E+00 1.0291E+01 O6 4171 15.999400 -0.847600 1.4023E+01 -1.3391E+01 -1.0274E+01 H1 4172 1.008000 0.423800 1.4595E+01 -1.3196E+01 -1.1071E+01 H2 4173 1.008000 0.423800 1.4301E+01 -1.4261E+01 -9.8681E+00 O6 4174 15.999400 -0.847600 2.8615E+00 1.1737E+01 -1.9344E+01 H1 4175 1.008000 0.423800 3.4871E+00 1.0965E+01 -1.9454E+01 H2 4176 1.008000 0.423800 3.2119E+00 1.2525E+01 1.9247E+01 O6 4177 15.999400 -0.847600 -9.9274E+00 -1.5374E+01 -6.1250E+00 H1 4178 1.008000 0.423800 -8.9493E+00 -1.5305E+01 -6.3213E+00 H2 4179 1.008000 0.423800 -1.0066E+01 -1.5430E+01 -5.1363E+00 O6 4180 15.999400 -0.847600 3.4833E+00 -1.2909E+01 8.9529E+00 H1 4181 1.008000 0.423800 3.2567E+00 -1.2059E+01 9.4285E+00 H2 4182 1.008000 0.423800 3.6759E+00 -1.2712E+01 7.9917E+00 O6 4183 15.999400 -0.847600 -1.8149E+01 -8.2221E+00 1.6392E+01 H1 4184 1.008000 0.423800 -1.8714E+01 -8.6421E+00 1.5681E+01 H2 4185 1.008000 0.423800 -1.8684E+01 -8.1325E+00 1.7233E+01 O6 4186 15.999400 -0.847600 1.2582E+01 -9.9487E+00 1.3905E+01 H1 4187 1.008000 0.423800 1.3489E+01 -9.7828E+00 1.3517E+01 H2 4188 1.008000 0.423800 1.2206E+01 -1.0793E+01 1.3523E+01 O6 4189 15.999400 -0.847600 -1.4633E+01 -1.3012E+01 1.7854E+00 H1 4190 1.008000 0.423800 -1.3900E+01 -1.3646E+01 2.0355E+00 H2 4191 1.008000 0.423800 -1.5263E+01 -1.3464E+01 1.1541E+00 O6 4192 15.999400 -0.847600 2.2500E+00 9.2139E+00 -5.1882E+00 H1 4193 1.008000 0.423800 1.3830E+00 9.2608E+00 -5.6843E+00 H2 4194 1.008000 0.423800 2.9931E+00 9.5126E+00 -5.7869E+00 O6 4195 15.999400 -0.847600 1.8079E+01 -1.6205E+01 9.4458E+00 H1 4196 1.008000 0.423800 1.7794E+01 -1.5860E+01 8.5515E+00 H2 4197 1.008000 0.423800 1.8269E+01 -1.7184E+01 9.3799E+00 O6 4198 15.999400 -0.847600 -1.3660E+01 -1.7731E+01 -8.2778E+00 H1 4199 1.008000 0.423800 -1.4558E+01 -1.7344E+01 -8.4861E+00 H2 4200 1.008000 0.423800 -1.3041E+01 -1.7000E+01 -7.9895E+00 O6 4201 15.999400 -0.847600 -2.8294E+00 -6.1219E+00 2.5201E+00 H1 4202 1.008000 0.423800 -2.1281E+00 -6.5016E+00 3.1235E+00 H2 4203 1.008000 0.423800 -2.3944E+00 -5.5628E+00 1.8142E+00 O6 4204 15.999400 -0.847600 3.7431E+00 -1.3265E+01 4.5215E+00 H1 4205 1.008000 0.423800 3.9650E+00 -1.2402E+01 4.9766E+00 H2 4206 1.008000 0.423800 3.9047E+00 -1.4025E+01 5.1509E+00 O6 4207 15.999400 -0.847600 1.7964E+00 -1.6613E+01 1.0598E+01 H1 4208 1.008000 0.423800 1.8137E+00 -1.5675E+01 1.0944E+01 H2 4209 1.008000 0.423800 8.4919E-01 -1.6927E+01 1.0533E+01 O6 4210 15.999400 -0.847600 1.5750E+01 8.8930E+00 -7.1135E+00 H1 4211 1.008000 0.423800 1.6489E+01 9.1355E+00 -6.4858E+00 H2 4212 1.008000 0.423800 1.6050E+01 9.0403E+00 -8.0558E+00 O6 4213 15.999400 -0.847600 1.4620E+01 2.8547E+00 -1.7332E+01 H1 4214 1.008000 0.423800 1.5588E+01 3.0531E+00 -1.7488E+01 H2 4215 1.008000 0.423800 1.4417E+01 2.9362E+00 -1.6356E+01 O6 4216 15.999400 -0.847600 1.4278E+01 -1.0428E+01 -1.6927E+01 H1 4217 1.008000 0.423800 1.3399E+01 -1.0284E+01 -1.6471E+01 H2 4218 1.008000 0.423800 1.4251E+01 -1.1286E+01 -1.7440E+01 O6 4219 15.999400 -0.847600 8.4618E+00 6.3921E+00 1.2542E+01 H1 4220 1.008000 0.423800 7.6290E+00 6.5946E+00 1.3057E+01 H2 4221 1.008000 0.423800 8.3856E+00 5.4848E+00 1.2128E+01 O6 4222 15.999400 -0.847600 1.7671E+01 8.9275E+00 1.3732E+01 H1 4223 1.008000 0.423800 1.8372E+01 9.1376E+00 1.4413E+01 H2 4224 1.008000 0.423800 1.7279E+01 8.0277E+00 1.3923E+01 O6 4225 15.999400 -0.847600 -1.4539E+01 1.7494E+01 1.7409E+01 H1 4226 1.008000 0.423800 -1.3570E+01 1.7630E+01 1.7617E+01 H2 4227 1.008000 0.423800 -1.5096E+01 1.7922E+01 1.8121E+01 O6 4228 15.999400 -0.847600 1.9604E+00 -3.3647E+00 -6.0447E+00 H1 4229 1.008000 0.423800 1.1209E+00 -3.8825E+00 -5.8800E+00 H2 4230 1.008000 0.423800 2.6325E+00 -3.9536E+00 -6.4935E+00 O6 4231 15.999400 -0.847600 1.8418E+01 -9.7459E+00 -1.0611E+01 H1 4232 1.008000 0.423800 1.8782E+01 -8.8291E+00 -1.0446E+01 H2 4233 1.008000 0.423800 1.8932E+01 -1.0411E+01 -1.0069E+01 O6 4234 15.999400 -0.847600 1.7217E+01 -1.6746E+01 -1.0182E+01 H1 4235 1.008000 0.423800 1.7579E+01 -1.6345E+01 -1.1024E+01 H2 4236 1.008000 0.423800 1.6228E+01 -1.6600E+01 -1.0141E+01 O6 4237 15.999400 -0.847600 1.7902E+01 -7.8025E+00 -7.2512E+00 H1 4238 1.008000 0.423800 1.7188E+01 -8.4947E+00 -7.3547E+00 H2 4239 1.008000 0.423800 1.8655E+01 -8.0040E+00 -7.8780E+00 O6 4240 15.999400 -0.847600 -1.0585E+01 -1.8640E+01 8.0909E+00 H1 4241 1.008000 0.423800 -1.1235E+01 -1.8931E+01 7.3894E+00 H2 4242 1.008000 0.423800 -1.0076E+01 -1.9434E+01 8.4238E+00 O6 4243 15.999400 -0.847600 -1.5120E+01 8.3833E+00 2.4284E+00 H1 4244 1.008000 0.423800 -1.4594E+01 8.8878E+00 1.7440E+00 H2 4245 1.008000 0.423800 -1.5925E+01 7.9766E+00 1.9963E+00 O6 4246 15.999400 -0.847600 -1.1443E+01 7.1662E+00 1.8809E+00 H1 4247 1.008000 0.423800 -1.2282E+01 6.6664E+00 1.6656E+00 H2 4248 1.008000 0.423800 -1.1056E+01 7.5454E+00 1.0404E+00 O6 4249 15.999400 -0.847600 -1.4762E+01 -4.0078E+00 1.0701E+01 H1 4250 1.008000 0.423800 -1.4394E+01 -4.9303E+00 1.0816E+01 H2 4251 1.008000 0.423800 -1.4029E+01 -3.3386E+00 1.0822E+01 O6 4252 15.999400 -0.847600 -9.8610E+00 8.4247E+00 5.8307E+00 H1 4253 1.008000 0.423800 -9.2634E+00 9.0373E+00 6.3480E+00 H2 4254 1.008000 0.423800 -1.0299E+01 7.7791E+00 6.4565E+00 O6 4255 15.999400 -0.847600 -1.1482E+01 7.4374E+00 -2.4026E+00 H1 4256 1.008000 0.423800 -1.2294E+01 7.5870E+00 -1.8382E+00 H2 4257 1.008000 0.423800 -1.1626E+01 7.8400E+00 -3.3066E+00 O6 4258 15.999400 -0.847600 1.0176E+00 -9.7817E-01 -1.9013E+00 H1 4259 1.008000 0.423800 1.0414E+00 -1.6866E+00 -1.1959E+00 H2 4260 1.008000 0.423800 8.6861E-02 -6.2215E-01 -1.9848E+00 O6 4261 15.999400 -0.847600 3.7594E-01 -6.6306E+00 -8.8603E+00 H1 4262 1.008000 0.423800 2.2027E-01 -6.4034E+00 -9.8217E+00 H2 4263 1.008000 0.423800 1.3482E+00 -6.5326E+00 -8.6480E+00 O6 4264 15.999400 -0.847600 -2.7966E-03 -1.6475E+01 -1.4740E+01 H1 4265 1.008000 0.423800 -3.3938E-01 -1.5637E+01 -1.5171E+01 H2 4266 1.008000 0.423800 9.3659E-01 -1.6334E+01 -1.4427E+01 O6 4267 15.999400 -0.847600 -1.4287E+01 -7.1829E+00 4.9818E+00 H1 4268 1.008000 0.423800 -1.4168E+01 -6.7812E+00 5.8898E+00 H2 4269 1.008000 0.423800 -1.4101E+01 -8.1644E+00 5.0244E+00 O6 4270 15.999400 -0.847600 5.1844E+00 -1.5996E+01 5.8816E+00 H1 4271 1.008000 0.423800 4.9761E+00 -1.5476E+01 6.7101E+00 H2 4272 1.008000 0.423800 5.6804E+00 -1.6829E+01 6.1268E+00 O6 4273 15.999400 -0.847600 -1.3370E+01 1.2340E+01 5.1179E+00 H1 4274 1.008000 0.423800 -1.3821E+01 1.2595E+01 5.9735E+00 H2 4275 1.008000 0.423800 -1.3352E+01 1.3128E+01 4.5028E+00 O6 4276 15.999400 -0.847600 1.1787E+01 1.2876E+01 -4.4298E+00 H1 4277 1.008000 0.423800 1.1213E+01 1.2404E+01 -3.7605E+00 H2 4278 1.008000 0.423800 1.2148E+01 1.3717E+01 -4.0258E+00 O6 4279 15.999400 -0.847600 5.2166E+00 1.5043E+01 -4.1536E+00 H1 4280 1.008000 0.423800 4.7880E+00 1.5906E+01 -4.4229E+00 H2 4281 1.008000 0.423800 4.5394E+00 1.4461E+01 -3.7041E+00 O6 4282 15.999400 -0.847600 1.7817E+01 9.1135E+00 3.4955E+00 H1 4283 1.008000 0.423800 1.7040E+01 9.1179E+00 2.8660E+00 H2 4284 1.008000 0.423800 1.7605E+01 9.6798E+00 4.2917E+00 O6 4285 15.999400 -0.847600 3.5090E+00 1.0889E+01 -1.1056E+01 H1 4286 1.008000 0.423800 3.8985E+00 1.1808E+01 -1.0994E+01 H2 4287 1.008000 0.423800 2.5296E+00 1.0955E+01 -1.1247E+01 O6 4288 15.999400 -0.847600 -2.8566E+00 1.4346E+01 3.8026E+00 H1 4289 1.008000 0.423800 -3.3288E+00 1.3578E+01 4.2351E+00 H2 4290 1.008000 0.423800 -2.1269E+00 1.3999E+01 3.2132E+00 O6 4291 15.999400 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1.3961E+01 1.0254E+01 H2 4308 1.008000 0.423800 6.2388E+00 1.2526E+01 1.0369E+01 O6 4309 15.999400 -0.847600 3.4784E+00 2.2456E+00 1.7031E+01 H1 4310 1.008000 0.423800 4.1541E+00 2.9709E+00 1.6899E+01 H2 4311 1.008000 0.423800 3.6957E+00 1.4745E+00 1.6433E+01 O6 4312 15.999400 -0.847600 -7.1549E+00 9.8127E+00 1.2786E+01 H1 4313 1.008000 0.423800 -6.9972E+00 8.9479E+00 1.2310E+01 H2 4314 1.008000 0.423800 -6.7320E+00 1.0559E+01 1.2272E+01 O6 4315 15.999400 -0.847600 -1.5179E+01 -6.0896E+00 -6.2577E+00 H1 4316 1.008000 0.423800 -1.4214E+01 -5.8543E+00 -6.1410E+00 H2 4317 1.008000 0.423800 -1.5508E+01 -5.7248E+00 -7.1288E+00 O6 4318 15.999400 -0.847600 9.5389E+00 1.0938E+01 -1.5965E+01 H1 4319 1.008000 0.423800 8.6490E+00 1.0676E+01 -1.5591E+01 H2 4320 1.008000 0.423800 9.5414E+00 1.1917E+01 -1.6165E+01 O6 4321 15.999400 -0.847600 -7.2377E+00 4.2128E+00 5.4455E+00 H1 4322 1.008000 0.423800 -8.1426E+00 4.4373E+00 5.0839E+00 H2 4323 1.008000 0.423800 -7.0101E+00 3.2677E+00 5.2111E+00 O6 4324 15.999400 -0.847600 2.1053E+00 1.8090E+01 -3.1312E+00 H1 4325 1.008000 0.423800 1.8680E+00 1.7684E+01 -2.2483E+00 H2 4326 1.008000 0.423800 1.3297E+00 1.8004E+01 -3.7566E+00 O6 4327 15.999400 -0.847600 -1.2315E+00 -1.0907E+00 9.0566E+00 H1 4328 1.008000 0.423800 -5.0068E-01 -1.6429E+00 9.4578E+00 H2 4329 1.008000 0.423800 -1.0065E+00 -8.8047E-01 8.1052E+00 O6 4330 15.999400 -0.847600 -1.8064E+01 -1.6194E+00 1.5040E+01 H1 4331 1.008000 0.423800 -1.8007E+01 -7.9872E-01 1.5609E+01 H2 4332 1.008000 0.423800 -1.8872E+01 -2.1481E+00 1.5297E+01 O6 4333 15.999400 -0.847600 -2.4596E+00 1.7520E+01 -9.8002E+00 H1 4334 1.008000 0.423800 -3.1532E+00 1.8026E+01 -1.0313E+01 H2 4335 1.008000 0.423800 -1.7845E+00 1.8159E+01 -9.4321E+00 O6 4336 15.999400 -0.847600 -3.4973E+00 1.8086E+01 1.8019E+01 H1 4337 1.008000 0.423800 -2.9327E+00 1.7502E+01 1.7436E+01 H2 4338 1.008000 0.423800 -2.9151E+00 1.8748E+01 1.8491E+01 O6 4339 15.999400 -0.847600 6.6270E+00 8.2833E+00 9.4234E+00 H1 4340 1.008000 0.423800 7.6270E+00 8.2917E+00 9.4333E+00 H2 4341 1.008000 0.423800 6.2885E+00 7.8914E+00 1.0279E+01 O6 4342 15.999400 -0.847600 3.0008E+00 1.5903E+01 4.0447E+00 H1 4343 1.008000 0.423800 3.6769E+00 1.5809E+01 4.7756E+00 H2 4344 1.008000 0.423800 2.0808E+00 1.5859E+01 4.4342E+00 O6 4345 15.999400 -0.847600 -1.4142E+01 1.6519E+01 -9.9783E+00 H1 4346 1.008000 0.423800 -1.3641E+01 1.6872E+01 -9.1884E+00 H2 4347 1.008000 0.423800 -1.3838E+01 1.5587E+01 -1.0177E+01 O6 4348 15.999400 -0.847600 1.6628E+01 1.0575E+01 5.4942E+00 H1 4349 1.008000 0.423800 1.5747E+01 1.0928E+01 5.8094E+00 H2 4350 1.008000 0.423800 1.7139E+01 1.0211E+01 6.2728E+00 O6 4351 15.999400 -0.847600 -1.1969E+01 1.5242E+00 -2.2470E+00 H1 4352 1.008000 0.423800 -1.1299E+01 1.0634E+00 -1.6646E+00 H2 4353 1.008000 0.423800 -1.2875E+01 1.1324E+00 -2.0874E+00 O6 4354 15.999400 -0.847600 6.4270E+00 -1.8386E+01 1.6014E+01 H1 4355 1.008000 0.423800 5.8547E+00 -1.7567E+01 1.5977E+01 H2 4356 1.008000 0.423800 6.6802E+00 -1.8574E+01 1.6963E+01 O6 4357 15.999400 -0.847600 3.4380E+00 -3.4906E+00 1.8752E+01 H1 4358 1.008000 0.423800 4.1189E+00 -4.2217E+00 1.8708E+01 H2 4359 1.008000 0.423800 2.5207E+00 -3.8884E+00 1.8741E+01 O6 4360 15.999400 -0.847600 4.7836E+00 -4.5589E+00 -1.5846E+01 H1 4361 1.008000 0.423800 4.6552E+00 -3.7881E+00 -1.5222E+01 H2 4362 1.008000 0.423800 5.7060E+00 -4.5262E+00 -1.6231E+01 O6 4363 15.999400 -0.847600 1.8212E+01 1.4904E+01 1.7706E+01 H1 4364 1.008000 0.423800 1.7299E+01 1.4773E+01 1.7320E+01 H2 4365 1.008000 0.423800 1.8869E+01 1.4338E+01 1.7208E+01 O6 4366 15.999400 -0.847600 3.3704E+00 -8.8978E+00 6.7345E+00 H1 4367 1.008000 0.423800 2.5861E+00 -9.4499E+00 6.4515E+00 H2 4368 1.008000 0.423800 3.1143E+00 -8.3322E+00 7.5183E+00 O6 4369 15.999400 -0.847600 1.9331E+01 -8.1009E+00 8.6748E-01 H1 4370 1.008000 0.423800 -1.9119E+01 -8.3201E+00 1.3815E-01 H2 4371 1.008000 0.423800 -1.9299E+01 -7.5862E+00 1.5858E+00 O6 4372 15.999400 -0.847600 -1.8761E+00 -8.7165E+00 1.8638E+01 H1 4373 1.008000 0.423800 -1.2963E+00 -9.3811E+00 1.8167E+01 H2 4374 1.008000 0.423800 -2.8262E+00 -9.0275E+00 1.8615E+01 O6 4375 15.999400 -0.847600 1.4900E+01 4.5352E-01 1.9000E+00 H1 4376 1.008000 0.423800 1.5739E+01 3.7999E-03 2.2077E+00 H2 4377 1.008000 0.423800 1.4257E+01 -2.3464E-01 1.5651E+00 O6 4378 15.999400 -0.847600 -8.0976E-02 -5.6709E+00 -1.1600E+01 H1 4379 1.008000 0.423800 3.0768E-01 -4.7685E+00 -1.1787E+01 H2 4380 1.008000 0.423800 -1.0442E+00 -5.5736E+00 -1.1350E+01 O6 4381 15.999400 -0.847600 1.2647E+01 -1.0980E+01 1.6725E+01 H1 4382 1.008000 0.423800 1.2335E+01 -1.0320E+01 1.6041E+01 H2 4383 1.008000 0.423800 1.3499E+01 -1.1403E+01 1.6415E+01 O6 4384 15.999400 -0.847600 3.1944E+00 1.0091E+01 2.1361E-01 H1 4385 1.008000 0.423800 2.3146E+00 9.9313E+00 6.6150E-01 H2 4386 1.008000 0.423800 3.6978E+00 9.2289E+00 1.5178E-01 O6 4387 15.999400 -0.847600 6.7210E+00 -1.1886E+01 9.3285E-01 H1 4388 1.008000 0.423800 6.6225E+00 -1.2854E+01 6.9987E-01 H2 4389 1.008000 0.423800 6.7572E+00 -1.1344E+01 9.3788E-02 O6 4390 15.999400 -0.847600 -1.6934E+01 1.4083E+01 -1.7515E+01 H1 4391 1.008000 0.423800 -1.6348E+01 1.3748E+01 -1.6777E+01 H2 4392 1.008000 0.423800 -1.6386E+01 1.4221E+01 -1.8339E+01 O6 4393 15.999400 -0.847600 -1.1889E+01 1.5786E+01 6.4338E+00 H1 4394 1.008000 0.423800 -1.2367E+01 1.6449E+01 5.8565E+00 H2 4395 1.008000 0.423800 -1.0908E+01 1.5981E+01 6.4233E+00 O6 4396 15.999400 -0.847600 -2.8140E+00 -7.7693E+00 6.1607E+00 H1 4397 1.008000 0.423800 -2.8432E+00 -7.3556E+00 7.0706E+00 H2 4398 1.008000 0.423800 -3.7215E+00 -8.1155E+00 5.9227E+00 O6 4399 15.999400 -0.847600 1.2078E+01 9.9728E+00 -5.6436E+00 H1 4400 1.008000 0.423800 1.1243E+01 1.0398E+01 -5.9928E+00 H2 4401 1.008000 0.423800 1.2849E+01 1.0597E+01 -5.7716E+00 O6 4402 15.999400 -0.847600 7.1443E+00 -1.0710E+01 6.3226E+00 H1 4403 1.008000 0.423800 6.9130E+00 -9.8293E+00 5.9082E+00 H2 4404 1.008000 0.423800 7.3015E+00 -1.1386E+01 5.6028E+00 O6 4405 15.999400 -0.847600 2.5907E-01 -8.6004E+00 2.7025E+00 H1 4406 1.008000 0.423800 -2.2785E-01 -7.8702E+00 3.1819E+00 H2 4407 1.008000 0.423800 1.2294E+00 -8.5670E+00 2.9420E+00 O6 4408 15.999400 -0.847600 6.7765E+00 -6.9834E+00 -1.5606E+01 H1 4409 1.008000 0.423800 6.9576E+00 -6.0497E+00 -1.5915E+01 H2 4410 1.008000 0.423800 7.5801E+00 -7.5531E+00 -1.5779E+01 O6 4411 15.999400 -0.847600 -8.2840E-01 -1.2914E+01 -1.5037E+01 H1 4412 1.008000 0.423800 -1.0287E+00 -1.2020E+01 -1.5437E+01 H2 4413 1.008000 0.423800 -8.5865E-01 -1.3613E+01 -1.5751E+01 O6 4414 15.999400 -0.847600 -1.6232E+00 2.9976E+00 -1.4773E+01 H1 4415 1.008000 0.423800 -1.1321E+00 2.7316E+00 -1.3944E+01 H2 4416 1.008000 0.423800 -1.2567E+00 3.8632E+00 -1.5114E+01 O6 4417 15.999400 -0.847600 -1.4176E+01 -6.6563E+00 1.4652E+01 H1 4418 1.008000 0.423800 -1.4460E+01 -7.6144E+00 1.4617E+01 H2 4419 1.008000 0.423800 -1.3337E+01 -6.5383E+00 1.4121E+01 O6 4420 15.999400 -0.847600 -1.3129E+01 -9.5444E+00 -1.2595E+01 H1 4421 1.008000 0.423800 -1.2892E+01 -1.0423E+01 -1.2180E+01 H2 4422 1.008000 0.423800 -1.3752E+01 -9.6948E+00 -1.3362E+01 O6 4423 15.999400 -0.847600 5.9549E+00 -5.3307E+00 9.1602E+00 H1 4424 1.008000 0.423800 5.7920E+00 -4.9244E+00 8.2611E+00 H2 4425 1.008000 0.423800 6.5272E+00 -6.1445E+00 9.0594E+00 O6 4426 15.999400 -0.847600 3.5271E+00 -5.4898E+00 -6.7551E+00 H1 4427 1.008000 0.423800 3.5249E+00 -6.2488E+00 -7.4061E+00 H2 4428 1.008000 0.423800 4.4351E+00 -5.4053E+00 -6.3448E+00 O6 4429 15.999400 -0.847600 -4.6981E+00 -1.4630E+01 1.2830E+01 H1 4430 1.008000 0.423800 -3.8256E+00 -1.4315E+01 1.2456E+01 H2 4431 1.008000 0.423800 -4.6351E+00 -1.4682E+01 1.3826E+01 O6 4432 15.999400 -0.847600 -1.0937E+01 -1.1728E+01 1.9545E+01 H1 4433 1.008000 0.423800 -1.1182E+01 -1.2681E+01 -1.9374E+01 H2 4434 1.008000 0.423800 -1.1264E+01 -1.1464E+01 1.8638E+01 O6 4435 15.999400 -0.847600 -7.6230E+00 -8.8340E+00 -1.6832E+01 H1 4436 1.008000 0.423800 -8.0839E+00 -8.0152E+00 -1.7174E+01 H2 4437 1.008000 0.423800 -8.2308E+00 -9.6225E+00 -1.6926E+01 O6 4438 15.999400 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-1.4834E+01 -6.1361E+00 H2 4455 1.008000 0.423800 -7.8022E+00 -1.3482E+01 -6.3341E+00 O6 4456 15.999400 -0.847600 1.1073E+01 1.8083E+01 -1.5095E+01 H1 4457 1.008000 0.423800 1.1521E+01 1.8915E+01 -1.5423E+01 H2 4458 1.008000 0.423800 1.1250E+01 1.7972E+01 -1.4117E+01 O6 4459 15.999400 -0.847600 -1.5669E+01 -1.8596E+01 1.6122E+01 H1 4460 1.008000 0.423800 -1.6273E+01 -1.8476E+01 1.5333E+01 H2 4461 1.008000 0.423800 -1.4808E+01 -1.8115E+01 1.5958E+01 O6 4462 15.999400 -0.847600 1.5757E+01 1.3373E+01 -5.1973E+00 H1 4463 1.008000 0.423800 1.5875E+01 1.3063E+01 -6.1406E+00 H2 4464 1.008000 0.423800 1.5410E+01 1.4311E+01 -5.1959E+00 O6 4465 15.999400 -0.847600 -3.3479E-02 -1.7464E+01 -1.2845E+00 H1 4466 1.008000 0.423800 8.4122E-01 -1.7815E+01 -1.6186E+00 H2 4467 1.008000 0.423800 -7.2379E-01 -1.8186E+01 -1.3358E+00 O6 4468 15.999400 -0.847600 -1.1052E+00 -4.3164E+00 1.4333E+01 H1 4469 1.008000 0.423800 -1.6211E+00 -4.4014E+00 1.5186E+01 H2 4470 1.008000 0.423800 -1.0902E+00 -3.3584E+00 1.4047E+01 O6 4471 15.999400 -0.847600 3.3430E+00 2.5180E+00 -1.4344E+01 H1 4472 1.008000 0.423800 2.7124E+00 3.2492E+00 -1.4605E+01 H2 4473 1.008000 0.423800 3.0890E+00 1.6747E+00 -1.4818E+01 O6 4474 15.999400 -0.847600 -1.8304E+01 -8.2382E+00 -4.6700E+00 H1 4475 1.008000 0.423800 -1.8494E+01 -7.2584E+00 -4.6055E+00 H2 4476 1.008000 0.423800 -1.8379E+01 -8.6525E+00 -3.7629E+00 O6 4477 15.999400 -0.847600 -1.5485E+01 -1.6764E+01 -1.7188E+01 H1 4478 1.008000 0.423800 -1.4728E+01 -1.7417E+01 -1.7159E+01 H2 4479 1.008000 0.423800 -1.5269E+01 -1.6032E+01 -1.7834E+01 O6 4480 15.999400 -0.847600 1.1527E+00 -1.0141E+01 5.6690E+00 H1 4481 1.008000 0.423800 2.3126E-01 -1.0456E+01 5.4415E+00 H2 4482 1.008000 0.423800 1.6806E+00 -1.0020E+01 4.8283E+00 O6 4483 15.999400 -0.847600 1.1311E+01 1.0330E+01 -1.9426E+01 H1 4484 1.008000 0.423800 1.1390E+01 9.8207E+00 -1.8569E+01 H2 4485 1.008000 0.423800 1.2046E+01 1.1005E+01 -1.9482E+01 O6 4486 15.999400 -0.847600 -3.5368E+00 -1.6620E+01 6.4481E+00 H1 4487 1.008000 0.423800 -4.2488E+00 -1.6749E+01 7.1384E+00 H2 4488 1.008000 0.423800 -2.8431E+00 -1.7333E+01 6.5474E+00 O6 4489 15.999400 -0.847600 -1.4968E+01 -8.1668E+00 1.8470E+01 H1 4490 1.008000 0.423800 -1.5181E+01 -8.9149E+00 1.7841E+01 H2 4491 1.008000 0.423800 -1.4500E+01 -7.4363E+00 1.7973E+01 O6 4492 15.999400 -0.847600 -1.6885E+01 -1.1754E+01 1.5631E+01 H1 4493 1.008000 0.423800 -1.6305E+01 -1.0952E+01 1.5770E+01 H2 4494 1.008000 0.423800 -1.6570E+01 -1.2257E+01 1.4826E+01 O6 4495 15.999400 -0.847600 5.9560E-01 7.5079E+00 -1.1881E+01 H1 4496 1.008000 0.423800 5.5818E-01 7.7827E+00 -1.2842E+01 H2 4497 1.008000 0.423800 3.4406E-01 6.5434E+00 -1.1800E+01 O6 4498 15.999400 -0.847600 -4.3875E+00 7.6547E+00 1.7268E+00 H1 4499 1.008000 0.423800 -4.4601E+00 6.6859E+00 1.4899E+00 H2 4500 1.008000 0.423800 -3.9482E+00 7.7472E+00 2.6203E+00 O6 4501 15.999400 -0.847600 7.3522E+00 -2.2878E+00 -4.5457E+00 H1 4502 1.008000 0.423800 6.8434E+00 -1.6854E+00 -3.9307E+00 H2 4503 1.008000 0.423800 7.9847E+00 -1.7439E+00 -5.0971E+00 O6 4504 15.999400 -0.847600 1.8248E+01 6.4797E+00 1.6107E+01 H1 4505 1.008000 0.423800 1.7967E+01 5.6419E+00 1.5638E+01 H2 4506 1.008000 0.423800 1.7479E+01 6.8393E+00 1.6635E+01 O6 4507 15.999400 -0.847600 -1.4367E+01 -4.0463E+00 -1.6379E+01 H1 4508 1.008000 0.423800 -1.5233E+01 -3.6211E+00 -1.6117E+01 H2 4509 1.008000 0.423800 -1.4322E+01 -4.9706E+00 -1.6000E+01 O6 4510 15.999400 -0.847600 -1.1293E+01 -1.2409E+00 3.8953E+00 H1 4511 1.008000 0.423800 -1.0938E+01 -6.8171E-01 4.6444E+00 H2 4512 1.008000 0.423800 -1.1131E+01 -7.7511E-01 3.0256E+00 O6 4513 15.999400 -0.847600 1.6561E+01 -1.2792E+01 -1.5458E+01 H1 4514 1.008000 0.423800 1.6656E+01 -1.3659E+01 -1.4968E+01 H2 4515 1.008000 0.423800 1.6159E+01 -1.2108E+01 -1.4850E+01 O6 4516 15.999400 -0.847600 -1.4419E+01 -3.5951E+00 1.8016E+01 H1 4517 1.008000 0.423800 -1.4255E+01 -3.4521E+00 1.8992E+01 H2 4518 1.008000 0.423800 -1.4058E+01 -2.8186E+00 1.7500E+01 O6 4519 15.999400 -0.847600 9.1083E-01 1.6158E+01 -1.0806E+01 H1 4520 1.008000 0.423800 1.2344E+00 1.7088E+01 -1.0631E+01 H2 4521 1.008000 0.423800 1.5848E+00 1.5670E+01 -1.1360E+01 O6 4522 15.999400 -0.847600 -1.7630E+01 1.3687E+01 -1.3720E+01 H1 4523 1.008000 0.423800 -1.7251E+01 1.3222E+01 -1.4520E+01 H2 4524 1.008000 0.423800 -1.8473E+01 1.3231E+01 -1.3437E+01 O6 4525 15.999400 -0.847600 5.4209E+00 3.3627E+00 1.2032E+00 H1 4526 1.008000 0.423800 6.1986E+00 3.9418E+00 1.4479E+00 H2 4527 1.008000 0.423800 4.6843E+00 3.4961E+00 1.8663E+00 O6 4528 15.999400 -0.847600 -1.6974E+01 -6.8864E-01 2.5951E+00 H1 4529 1.008000 0.423800 -1.5999E+01 -4.6828E-01 2.5989E+00 H2 4530 1.008000 0.423800 -1.7095E+01 -1.6647E+00 2.4138E+00 O6 4531 15.999400 -0.847600 -1.3554E+01 -6.5279E+00 1.0357E+01 H1 4532 1.008000 0.423800 -1.2573E+01 -6.6713E+00 1.0223E+01 H2 4533 1.008000 0.423800 -1.4011E+01 -6.4976E+00 9.4675E+00 O6 4534 15.999400 -0.847600 -7.1025E+00 -1.2361E+01 -1.4022E+01 H1 4535 1.008000 0.423800 -7.4790E+00 -1.2307E+01 -1.3097E+01 H2 4536 1.008000 0.423800 -7.6915E+00 -1.1853E+01 -1.4652E+01 O6 4537 15.999400 -0.847600 1.4422E+01 3.9125E-01 -1.3895E+01 H1 4538 1.008000 0.423800 1.4559E+01 1.3813E+00 -1.3929E+01 H2 4539 1.008000 0.423800 1.3448E+01 1.8613E-01 -1.3986E+01 O6 4540 15.999400 -0.847600 1.5766E+00 -7.5818E+00 1.7120E+01 H1 4541 1.008000 0.423800 1.2469E+00 -7.4680E+00 1.8058E+01 H2 4542 1.008000 0.423800 1.3942E+00 -6.7479E+00 1.6599E+01 O6 4543 15.999400 -0.847600 -1.3244E+01 1.4197E+01 -1.1113E+01 H1 4544 1.008000 0.423800 -1.3888E+01 1.3895E+01 -1.1815E+01 H2 4545 1.008000 0.423800 -1.2720E+01 1.4978E+01 -1.1454E+01 O6 4546 15.999400 -0.847600 -1.0700E+01 -6.9038E+00 -3.3254E+00 H1 4547 1.008000 0.423800 -1.1007E+01 -7.8250E+00 -3.5641E+00 H2 4548 1.008000 0.423800 -9.9120E+00 -6.6585E+00 -3.8906E+00 O6 4549 15.999400 -0.847600 4.7797E+00 -1.4742E+01 -1.3257E+01 H1 4550 1.008000 0.423800 4.9525E+00 -1.4261E+01 -1.4116E+01 H2 4551 1.008000 0.423800 4.3115E+00 -1.4129E+01 -1.2620E+01 O6 4552 15.999400 -0.847600 -1.7346E+00 -4.6795E+00 -8.4103E+00 H1 4553 1.008000 0.423800 -9.6898E-01 -5.3189E+00 -8.3387E+00 H2 4554 1.008000 0.423800 -2.2779E+00 -4.8996E+00 -9.2204E+00 O6 4555 15.999400 -0.847600 8.0035E+00 1.0343E+01 1.6177E+01 H1 4556 1.008000 0.423800 7.1296E+00 9.9096E+00 1.6399E+01 H2 4557 1.008000 0.423800 8.0891E+00 1.0433E+01 1.5185E+01 O6 4558 15.999400 -0.847600 -8.6050E+00 1.6824E+01 6.4492E+00 H1 4559 1.008000 0.423800 -8.2534E+00 1.6641E+01 7.3673E+00 H2 4560 1.008000 0.423800 -7.9796E+00 1.6440E+01 5.7701E+00 O6 4561 15.999400 -0.847600 -1.0116E+01 -5.9818E+00 1.8410E+01 H1 4562 1.008000 0.423800 -1.0430E+01 -5.8714E+00 1.7467E+01 H2 4563 1.008000 0.423800 -1.0906E+01 -6.1068E+00 1.9011E+01 O6 4564 15.999400 -0.847600 1.3461E+01 5.1068E+00 -3.1739E+00 H1 4565 1.008000 0.423800 1.3536E+01 4.8771E+00 -4.1443E+00 H2 4566 1.008000 0.423800 1.4334E+01 4.9275E+00 -2.7203E+00 O6 4567 15.999400 -0.847600 1.0509E+00 -9.5964E+00 -6.3438E+00 H1 4568 1.008000 0.423800 1.7740E+00 -8.9445E+00 -6.1151E+00 H2 4569 1.008000 0.423800 3.0052E-01 -9.1159E+00 -6.7977E+00 O6 4570 15.999400 -0.847600 -2.1644E+00 1.6818E+01 -1.7046E+01 H1 4571 1.008000 0.423800 -1.3115E+00 1.6706E+01 -1.7556E+01 H2 4572 1.008000 0.423800 -1.9899E+00 1.7351E+01 -1.6218E+01 O6 4573 15.999400 -0.847600 -1.8962E+01 7.8120E+00 -1.2076E+01 H1 4574 1.008000 0.423800 -1.8541E+01 7.6485E+00 -1.1184E+01 H2 4575 1.008000 0.423800 1.9519E+01 8.5972E+00 -1.2014E+01 O6 4576 15.999400 -0.847600 -1.1466E+01 6.7814E+00 -1.8282E+01 H1 4577 1.008000 0.423800 -1.2009E+01 6.0406E+00 -1.7886E+01 H2 4578 1.008000 0.423800 -1.0556E+01 6.7869E+00 -1.7866E+01 O6 4579 15.999400 -0.847600 -1.8869E+01 -1.4102E+01 2.7589E+00 H1 4580 1.008000 0.423800 -1.9457E+01 -1.4157E+01 3.5658E+00 H2 4581 1.008000 0.423800 -1.8747E+01 -1.3144E+01 2.4998E+00 O6 4582 15.999400 -0.847600 -8.5561E+00 -1.4637E+01 6.2836E+00 H1 4583 1.008000 0.423800 -8.6710E+00 -1.5464E+01 6.8346E+00 H2 4584 1.008000 0.423800 -7.7019E+00 -1.4697E+01 5.7670E+00 O6 4585 15.999400 -0.847600 3.5050E+00 -1.0220E+00 -1.1026E+01 H1 4586 1.008000 0.423800 3.4070E+00 -1.7123E+00 -1.1742E+01 H2 4587 1.008000 0.423800 4.1973E+00 -1.3199E+00 -1.0368E+01 O6 4588 15.999400 -0.847600 -1.4956E+00 -1.9223E+01 1.6115E+01 H1 4589 1.008000 0.423800 -5.0245E-01 -1.9283E+01 1.6215E+01 H2 4590 1.008000 0.423800 -1.8618E+00 1.8975E+01 1.5876E+01 O6 4591 15.999400 -0.847600 -1.8870E+01 -2.4427E-01 -7.1969E+00 H1 4592 1.008000 0.423800 -1.8205E+01 4.6689E-01 -7.4252E+00 H2 4593 1.008000 0.423800 -1.8516E+01 -1.1352E+00 -7.4817E+00 O6 4594 15.999400 -0.847600 6.4149E+00 -1.7024E+01 -1.0131E+00 H1 4595 1.008000 0.423800 6.8692E+00 -1.7915E+01 -1.0102E+00 H2 4596 1.008000 0.423800 6.5645E+00 -1.6577E+01 -1.8947E+00 O6 4597 15.999400 -0.847600 9.3786E+00 1.7056E+01 1.4139E+01 H1 4598 1.008000 0.423800 9.7127E+00 1.7972E+01 1.3917E+01 H2 4599 1.008000 0.423800 9.0228E+00 1.6621E+01 1.3312E+01 O6 4600 15.999400 -0.847600 -1.0383E+01 -3.4508E-01 -8.3996E+00 H1 4601 1.008000 0.423800 -1.0167E+01 -1.3076E+00 -8.2359E+00 H2 4602 1.008000 0.423800 -9.5811E+00 1.1711E-01 -8.7777E+00 O6 4603 15.999400 -0.847600 9.1255E+00 -2.6863E+00 4.1885E+00 H1 4604 1.008000 0.423800 8.7388E+00 -3.5240E+00 3.8027E+00 H2 4605 1.008000 0.423800 9.7954E+00 -2.3045E+00 3.5518E+00 O6 4606 15.999400 -0.847600 -1.0732E+01 1.4127E+01 -1.8057E+01 H1 4607 1.008000 0.423800 -1.1703E+01 1.3977E+01 -1.7873E+01 H2 4608 1.008000 0.423800 -1.0311E+01 1.4581E+01 -1.7271E+01 O6 4609 15.999400 -0.847600 4.6013E+00 -8.3107E+00 -1.6039E+01 H1 4610 1.008000 0.423800 4.7503E+00 -9.1629E+00 -1.5538E+01 H2 4611 1.008000 0.423800 5.4632E+00 -7.8080E+00 -1.6105E+01 O6 4612 15.999400 -0.847600 3.7556E+00 -3.9145E+00 -1.2192E+01 H1 4613 1.008000 0.423800 4.0140E+00 -4.8064E+00 -1.1821E+01 H2 4614 1.008000 0.423800 2.9283E+00 -4.0109E+00 -1.2745E+01 O6 4615 15.999400 -0.847600 -1.0948E+01 6.9837E+00 7.8358E+00 H1 4616 1.008000 0.423800 -1.0833E+01 5.9924E+00 7.8993E+00 H2 4617 1.008000 0.423800 -1.1847E+01 7.1906E+00 7.4491E+00 O6 4618 15.999400 -0.847600 -5.2851E+00 3.8098E+00 -1.2380E+01 H1 4619 1.008000 0.423800 -5.3699E+00 3.6419E+00 -1.3362E+01 H2 4620 1.008000 0.423800 -4.5311E+00 4.4453E+00 -1.2214E+01 O6 4621 15.999400 -0.847600 3.5013E+00 -3.7750E-01 -1.5222E+01 H1 4622 1.008000 0.423800 3.9972E+00 -1.1348E+00 -1.4797E+01 H2 4623 1.008000 0.423800 3.8094E+00 -2.6578E-01 -1.6167E+01 O6 4624 15.999400 -0.847600 -4.7407E+00 2.5875E-01 -1.7561E+01 H1 4625 1.008000 0.423800 -5.1371E+00 7.2069E-02 -1.8459E+01 H2 4626 1.008000 0.423800 -4.3738E+00 1.1889E+00 -1.7545E+01 O6 4627 15.999400 -0.847600 -1.8660E+01 -1.0184E+00 1.9259E+01 H1 4628 1.008000 0.423800 -1.7969E+01 -1.6980E+00 1.9015E+01 H2 4629 1.008000 0.423800 1.9535E+01 -1.4488E+00 1.9264E+01 O6 4630 15.999400 -0.847600 1.3471E+01 -1.7042E+01 -1.0367E+01 H1 4631 1.008000 0.423800 1.4000E+01 -1.7751E+01 -1.0833E+01 H2 4632 1.008000 0.423800 1.2620E+01 -1.7435E+01 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1.008000 0.423800 -1.3798E+01 -1.8712E+01 9.4210E+00 H2 4650 1.008000 0.423800 -1.4019E+01 -1.8813E+01 7.8063E+00 O6 4651 15.999400 -0.847600 -1.1000E+01 -7.5271E+00 5.6998E+00 H1 4652 1.008000 0.423800 -1.1587E+01 -8.3186E+00 5.5285E+00 H2 4653 1.008000 0.423800 -1.0861E+01 -7.0244E+00 4.8466E+00 O6 4654 15.999400 -0.847600 -8.4327E+00 4.7454E+00 1.2784E+01 H1 4655 1.008000 0.423800 -8.0939E+00 4.6850E+00 1.1845E+01 H2 4656 1.008000 0.423800 -9.0173E+00 5.5515E+00 1.2876E+01 O6 4657 15.999400 -0.847600 1.6438E+01 -1.8141E+01 -3.1096E+00 H1 4658 1.008000 0.423800 1.7341E+01 -1.7986E+01 -3.5088E+00 H2 4659 1.008000 0.423800 1.5823E+01 -1.7400E+01 -3.3809E+00 O6 4660 15.999400 -0.847600 1.2937E+01 1.4945E+01 1.9430E+00 H1 4661 1.008000 0.423800 1.3185E+01 1.5812E+01 1.5105E+00 H2 4662 1.008000 0.423800 1.3709E+01 1.4312E+01 1.8892E+00 O6 4663 15.999400 -0.847600 1.7104E+01 -1.4712E+01 7.1625E+00 H1 4664 1.008000 0.423800 1.7797E+01 -1.4219E+01 6.6367E+00 H2 4665 1.008000 0.423800 1.6323E+01 -1.4110E+01 7.3307E+00 O6 4666 15.999400 -0.847600 -1.2313E+01 -1.4701E+01 2.3712E+00 H1 4667 1.008000 0.423800 -1.1635E+01 -1.4591E+01 1.6446E+00 H2 4668 1.008000 0.423800 -1.1889E+01 -1.4503E+01 3.2552E+00 O6 4669 15.999400 -0.847600 1.2906E+01 1.7881E+01 2.4818E+00 H1 4670 1.008000 0.423800 1.2536E+01 1.8686E+01 2.9464E+00 H2 4671 1.008000 0.423800 1.3597E+01 1.8168E+01 1.8186E+00 O6 4672 15.999400 -0.847600 -1.7304E+00 -4.2609E+00 1.0581E+01 H1 4673 1.008000 0.423800 -2.3029E+00 -5.0447E+00 1.0822E+01 H2 4674 1.008000 0.423800 -2.2935E+00 -3.4353E+00 1.0546E+01 O6 4675 15.999400 -0.847600 -1.0835E+01 -1.3045E+01 1.5819E+01 H1 4676 1.008000 0.423800 -9.9630E+00 -1.2959E+01 1.6301E+01 H2 4677 1.008000 0.423800 -1.0664E+01 -1.3221E+01 1.4850E+01 O6 4678 15.999400 -0.847600 -2.3203E+00 -5.9538E+00 -1.7851E+01 H1 4679 1.008000 0.423800 -1.5732E+00 -5.2895E+00 -1.7825E+01 H2 4680 1.008000 0.423800 -3.0724E+00 -5.5881E+00 -1.8399E+01 O6 4681 15.999400 -0.847600 1.8585E+01 1.0017E+01 -1.1549E+01 H1 4682 1.008000 0.423800 1.9133E+01 1.0705E+01 -1.2025E+01 H2 4683 1.008000 0.423800 1.8752E+01 1.0082E+01 -1.0565E+01 O6 4684 15.999400 -0.847600 -2.1416E+00 -9.7789E+00 2.0618E+00 H1 4685 1.008000 0.423800 -2.9815E+00 -9.3025E+00 2.3219E+00 H2 4686 1.008000 0.423800 -1.3854E+00 -9.1256E+00 2.0256E+00 O6 4687 15.999400 -0.847600 3.1357E+00 6.2888E-03 -3.6018E+00 H1 4688 1.008000 0.423800 2.8276E+00 9.0901E-01 -3.9021E+00 H2 4689 1.008000 0.423800 2.6455E+00 -2.5347E-01 -2.7698E+00 O6 4690 15.999400 -0.847600 1.8221E+01 3.1731E+00 1.0188E+01 H1 4691 1.008000 0.423800 1.8104E+01 2.2083E+00 9.9522E+00 H2 4692 1.008000 0.423800 1.8594E+01 3.2475E+00 1.1113E+01 O6 4693 15.999400 -0.847600 -1.0745E+00 4.2378E-01 1.7077E+01 H1 4694 1.008000 0.423800 -1.8627E+00 1.0165E+00 1.6912E+01 H2 4695 1.008000 0.423800 -3.3624E-01 9.5808E-01 1.7489E+01 O6 4696 15.999400 -0.847600 -1.5056E+01 1.7699E+01 -1.4193E+01 H1 4697 1.008000 0.423800 -1.4362E+01 1.8407E+01 -1.4321E+01 H2 4698 1.008000 0.423800 -1.5638E+01 1.7653E+01 -1.5005E+01 O6 4699 15.999400 -0.847600 -3.6342E+00 1.4862E+01 -1.3047E+01 H1 4700 1.008000 0.423800 -2.6630E+00 1.4868E+01 -1.2809E+01 H2 4701 1.008000 0.423800 -3.9430E+00 1.5798E+01 -1.3213E+01 O6 4702 15.999400 -0.847600 1.6236E+01 7.9980E+00 -9.7281E+00 H1 4703 1.008000 0.423800 1.6072E+01 8.2887E+00 -1.0671E+01 H2 4704 1.008000 0.423800 1.5541E+01 7.3305E+00 -9.4594E+00 O6 4705 15.999400 -0.847600 -1.9521E+01 -1.1797E+01 1.4674E+01 H1 4706 1.008000 0.423800 -1.8545E+01 -1.1824E+01 1.4889E+01 H2 4707 1.008000 0.423800 1.9259E+01 -1.2717E+01 1.4447E+01 O6 4708 15.999400 -0.847600 -1.9507E+01 -1.9080E+01 -6.1022E+00 H1 4709 1.008000 0.423800 1.9134E+01 -1.8339E+01 -5.6099E+00 H2 4710 1.008000 0.423800 -1.8660E+01 -1.8738E+01 -6.5086E+00 O6 4711 15.999400 -0.847600 9.2462E+00 1.6279E+01 3.3485E-01 H1 4712 1.008000 0.423800 9.2149E+00 1.5301E+01 5.4128E-01 H2 4713 1.008000 0.423800 9.2617E+00 1.6410E+01 -6.5639E-01 O6 4714 15.999400 -0.847600 -4.7029E+00 1.9384E+00 1.4971E+01 H1 4715 1.008000 0.423800 -3.7978E+00 1.9841E+00 1.4548E+01 H2 4716 1.008000 0.423800 -5.2549E+00 2.7125E+00 1.4661E+01 O6 4717 15.999400 -0.847600 3.3392E-01 1.8883E+01 9.2512E+00 H1 4718 1.008000 0.423800 4.7183E-02 -1.9315E+01 8.9228E+00 H2 4719 1.008000 0.423800 -8.6958E-02 1.8703E+01 1.0140E+01 O6 4720 15.999400 -0.847600 -1.4902E+01 1.3629E+01 -7.4864E+00 H1 4721 1.008000 0.423800 -1.5494E+01 1.3765E+01 -8.2809E+00 H2 4722 1.008000 0.423800 -1.3994E+01 1.3341E+01 -7.7922E+00 O6 4723 15.999400 -0.847600 -1.8025E+01 1.5037E+01 2.7521E+00 H1 4724 1.008000 0.423800 -1.7543E+01 1.4212E+01 2.4558E+00 H2 4725 1.008000 0.423800 -1.8695E+01 1.5299E+01 2.0577E+00 O6 4726 15.999400 -0.847600 1.8839E+01 -1.4615E+01 1.4656E+01 H1 4727 1.008000 0.423800 -1.9457E+01 -1.4575E+01 1.5252E+01 H2 4728 1.008000 0.423800 1.8657E+01 -1.5565E+01 1.4405E+01 O6 4729 15.999400 -0.847600 -1.2653E+01 -2.3461E+00 1.4609E+01 H1 4730 1.008000 0.423800 -1.3607E+01 -2.2054E+00 1.4873E+01 H2 4731 1.008000 0.423800 -1.2195E+01 -1.4609E+00 1.4532E+01 O6 4732 15.999400 -0.847600 1.8281E+01 6.0975E+00 -9.3952E+00 H1 4733 1.008000 0.423800 1.7876E+01 6.4582E+00 -8.5550E+00 H2 4734 1.008000 0.423800 1.8197E+01 6.7770E+00 -1.0124E+01 O6 4735 15.999400 -0.847600 1.5062E+01 -3.9749E+00 7.0378E+00 H1 4736 1.008000 0.423800 1.4714E+01 -3.1118E+00 7.4044E+00 H2 4737 1.008000 0.423800 1.5952E+01 -4.1767E+00 7.4468E+00 O6 4738 15.999400 -0.847600 -3.1123E+00 1.9257E+01 9.9752E+00 H1 4739 1.008000 0.423800 -2.6632E+00 1.8998E+01 9.1200E+00 H2 4740 1.008000 0.423800 -3.8969E+00 -1.9254E+01 9.7752E+00 O6 4741 15.999400 -0.847600 1.3254E+01 7.7126E+00 -6.6612E+00 H1 4742 1.008000 0.423800 1.2645E+01 8.4226E+00 -6.3061E+00 H2 4743 1.008000 0.423800 1.4131E+01 8.1206E+00 -6.9121E+00 O6 4744 15.999400 -0.847600 9.7433E+00 -5.2264E+00 -1.1983E+00 H1 4745 1.008000 0.423800 9.8433E+00 -4.5712E+00 -1.9471E+00 H2 4746 1.008000 0.423800 8.8283E+00 -5.1440E+00 -8.0334E-01 O6 4747 15.999400 -0.847600 1.8757E+01 1.6421E+01 1.3250E+01 H1 4748 1.008000 0.423800 1.8146E+01 1.7184E+01 1.3039E+01 H2 4749 1.008000 0.423800 1.9447E+01 1.6720E+01 1.3909E+01 O6 4750 15.999400 -0.847600 9.3326E+00 1.9261E+01 -7.7309E+00 H1 4751 1.008000 0.423800 9.0323E+00 1.8314E+01 -7.6138E+00 H2 4752 1.008000 0.423800 8.6884E+00 -1.9224E+01 -7.2734E+00 O6 4753 15.999400 -0.847600 -1.9015E+01 -1.7577E+01 5.6808E+00 H1 4754 1.008000 0.423800 -1.8456E+01 -1.7655E+01 6.5060E+00 H2 4755 1.008000 0.423800 1.9115E+01 -1.7584E+01 5.9323E+00 O6 4756 15.999400 -0.847600 -8.7780E+00 3.1306E+00 1.0698E+00 H1 4757 1.008000 0.423800 -8.3941E+00 4.0049E+00 1.3670E+00 H2 4758 1.008000 0.423800 -9.7402E+00 3.0810E+00 1.3376E+00 O6 4759 15.999400 -0.847600 -1.0328E+00 5.0812E+00 -7.9770E+00 H1 4760 1.008000 0.423800 -1.2706E+00 4.4723E+00 -7.2202E+00 H2 4761 1.008000 0.423800 -1.7131E+00 4.9903E+00 -8.7043E+00 O6 4762 15.999400 -0.847600 8.9319E+00 -1.3529E+01 1.7438E+01 H1 4763 1.008000 0.423800 9.6886E+00 -1.3324E+01 1.8058E+01 H2 4764 1.008000 0.423800 8.3268E+00 -1.4203E+01 1.7861E+01 O6 4765 15.999400 -0.847600 -2.9892E+00 -4.3929E-01 -1.0349E+01 H1 4766 1.008000 0.423800 -2.0757E+00 -5.1364E-01 -1.0749E+01 H2 4767 1.008000 0.423800 -3.1164E+00 4.8023E-01 -9.9773E+00 O6 4768 15.999400 -0.847600 -1.7266E+01 -3.5650E+00 -2.8363E+00 H1 4769 1.008000 0.423800 -1.7313E+01 -4.5020E+00 -2.4902E+00 H2 4770 1.008000 0.423800 -1.6881E+01 -2.9686E+00 -2.1318E+00 O6 4771 15.999400 -0.847600 -1.8383E+01 1.6735E+01 1.9206E+01 H1 4772 1.008000 0.423800 -1.8863E+01 1.6265E+01 -1.9151E+01 H2 4773 1.008000 0.423800 -1.8658E+01 1.6342E+01 1.8328E+01 O6 4774 15.999400 -0.847600 -1.0537E+01 1.0856E+01 -4.2056E+00 H1 4775 1.008000 0.423800 -1.1224E+01 1.0525E+01 -4.8524E+00 H2 4776 1.008000 0.423800 -1.0932E+01 1.1583E+01 -3.6435E+00 O6 4777 15.999400 -0.847600 6.2704E-01 -3.3594E+00 1.0058E+01 H1 4778 1.008000 0.423800 1.3693E+00 -4.0274E+00 1.0111E+01 H2 4779 1.008000 0.423800 -2.3341E-01 -3.7955E+00 1.0321E+01 O6 4780 15.999400 -0.847600 -1.5510E+01 1.7473E+01 1.4670E+00 H1 4781 1.008000 0.423800 -1.5971E+01 1.6701E+01 1.0293E+00 H2 4782 1.008000 0.423800 -1.6153E+01 1.7949E+01 2.0669E+00 O6 4783 15.999400 -0.847600 1.1399E+01 -6.7017E+00 8.5134E+00 H1 4784 1.008000 0.423800 1.1561E+01 -7.2913E+00 9.3047E+00 H2 4785 1.008000 0.423800 1.0543E+01 -6.9670E+00 8.0700E+00 O6 4786 15.999400 -0.847600 -5.5899E+00 -1.8013E+01 -3.3164E+00 H1 4787 1.008000 0.423800 -4.7539E+00 -1.7606E+01 -3.6846E+00 H2 4788 1.008000 0.423800 -5.5910E+00 -1.7928E+01 -2.3200E+00 O6 4789 15.999400 -0.847600 1.1747E+01 9.2534E+00 5.5227E+00 H1 4790 1.008000 0.423800 1.2496E+01 8.8238E+00 5.0188E+00 H2 4791 1.008000 0.423800 1.1262E+01 9.8885E+00 4.9214E+00 O6 4792 15.999400 -0.847600 2.7500E+00 -3.0518E+00 1.5273E+01 H1 4793 1.008000 0.423800 2.4131E+00 -2.3394E+00 1.5888E+01 H2 4794 1.008000 0.423800 2.3128E+00 -3.9221E+00 1.5499E+01 O6 4795 15.999400 -0.847600 -2.7147E+00 -1.5706E+01 -1.4126E+01 H1 4796 1.008000 0.423800 -2.2936E+00 -1.6034E+01 -1.3281E+01 H2 4797 1.008000 0.423800 -3.5107E+00 -1.5142E+01 -1.3906E+01 O6 4798 15.999400 -0.847600 1.8327E+01 -4.2572E+00 1.6272E+01 H1 4799 1.008000 0.423800 1.7611E+01 -4.9069E+00 1.6530E+01 H2 4800 1.008000 0.423800 1.9196E+01 -4.7413E+00 1.6170E+01 O6 4801 15.999400 -0.847600 5.6120E+00 1.6830E+01 1.6039E+01 H1 4802 1.008000 0.423800 5.3623E+00 1.7028E+01 1.5091E+01 H2 4803 1.008000 0.423800 6.4961E+00 1.7249E+01 1.6245E+01 O6 4804 15.999400 -0.847600 9.7447E+00 1.8666E+01 -4.6489E+00 H1 4805 1.008000 0.423800 8.9327E+00 1.9235E+01 -4.7790E+00 H2 4806 1.008000 0.423800 1.0242E+01 1.8592E+01 -5.5135E+00 O6 4807 15.999400 -0.847600 3.3404E+00 -1.8611E+00 -1.8308E+01 H1 4808 1.008000 0.423800 3.4798E+00 -2.5347E+00 -1.9034E+01 H2 4809 1.008000 0.423800 4.2107E+00 -1.4181E+00 -1.8093E+01 O6 4810 15.999400 -0.847600 -1.7104E+01 8.9679E+00 1.2647E+01 H1 4811 1.008000 0.423800 -1.7269E+01 8.8321E+00 1.3624E+01 H2 4812 1.008000 0.423800 -1.6754E+01 9.8920E+00 1.2493E+01 O6 4813 15.999400 -0.847600 -1.3509E+01 1.1139E+01 1.4119E+01 H1 4814 1.008000 0.423800 -1.4296E+01 1.1755E+01 1.4170E+01 H2 4815 1.008000 0.423800 -1.2741E+01 1.1538E+01 1.4620E+01 O6 4816 15.999400 -0.847600 1.5946E+01 -1.8453E+01 1.8564E+01 H1 4817 1.008000 0.423800 1.6533E+01 -1.9013E+01 1.9148E+01 H2 4818 1.008000 0.423800 1.6438E+01 -1.7626E+01 1.8292E+01 O6 4819 15.999400 -0.847600 -1.3900E+01 -6.1344E+00 1.7467E+01 H1 4820 1.008000 0.423800 -1.3968E+01 -6.2329E+00 1.6474E+01 H2 4821 1.008000 0.423800 -1.4094E+01 -5.1871E+00 1.7722E+01 O6 4822 15.999400 -0.847600 -3.0398E+00 1.7138E+01 3.5881E+00 H1 4823 1.008000 0.423800 -2.1968E+00 1.7674E+01 3.5505E+00 H2 4824 1.008000 0.423800 -2.8158E+00 1.6176E+01 3.7427E+00 O6 4825 15.999400 -0.847600 -1.9302E+01 -1.0977E+01 -8.6463E+00 H1 4826 1.008000 0.423800 -1.9365E+01 -1.0763E+01 -7.6715E+00 H2 4827 1.008000 0.423800 -1.8502E+01 -1.1553E+01 -8.8100E+00 O6 4828 15.999400 -0.847600 6.9455E-02 5.1491E+00 -4.7569E+00 H1 4829 1.008000 0.423800 2.3252E-01 4.7058E+00 -3.8754E+00 H2 4830 1.008000 0.423800 -7.0843E-01 4.7138E+00 -5.2100E+00 O6 4831 15.999400 -0.847600 1.1957E+01 -5.4250E+00 -1.1803E+01 H1 4832 1.008000 0.423800 1.2414E+01 -5.1584E+00 -1.0954E+01 H2 4833 1.008000 0.423800 1.0977E+01 -5.5295E+00 -1.1635E+01 O6 4834 15.999400 -0.847600 -1.1294E+01 -3.0197E+00 -5.8389E-01 H1 4835 1.008000 0.423800 -1.1090E+01 -3.0708E+00 3.9383E-01 H2 4836 1.008000 0.423800 -1.0480E+01 -2.7166E+00 -1.0786E+00 O6 4837 15.999400 -0.847600 -1.8547E+01 9.1842E+00 3.2661E+00 H1 4838 1.008000 0.423800 -1.9543E+01 9.1633E+00 3.3563E+00 H2 4839 1.008000 0.423800 -1.8255E+01 8.4718E+00 2.6280E+00 O6 4840 15.999400 -0.847600 -9.8912E+00 -9.7793E+00 -6.1872E+00 H1 4841 1.008000 0.423800 -9.8387E+00 -1.0651E+01 -6.6751E+00 H2 4842 1.008000 0.423800 -1.0497E+01 -9.1563E+00 -6.6820E+00 O6 4843 15.999400 -0.847600 -4.7932E+00 9.5182E+00 -7.1676E+00 H1 4844 1.008000 0.423800 -5.5594E+00 9.5297E+00 -6.5251E+00 H2 4845 1.008000 0.423800 -4.4229E+00 8.5912E+00 -7.2281E+00 O6 4846 15.999400 -0.847600 4.2110E+00 1.8181E+01 -1.7244E+01 H1 4847 1.008000 0.423800 4.9847E+00 1.7570E+01 -1.7078E+01 H2 4848 1.008000 0.423800 3.5991E+00 1.7769E+01 -1.7919E+01 O6 4849 15.999400 -0.847600 1.0417E+01 -1.0256E+01 -1.2479E+01 H1 4850 1.008000 0.423800 1.0938E+01 -1.0726E+01 -1.1766E+01 H2 4851 1.008000 0.423800 1.1046E+01 -9.7587E+00 -1.3077E+01 O6 4852 15.999400 -0.847600 -3.9691E+00 -1.4924E+01 1.5684E+01 H1 4853 1.008000 0.423800 -4.3376E+00 -1.4486E+01 1.6504E+01 H2 4854 1.008000 0.423800 -3.1907E+00 -1.5500E+01 1.5934E+01 O6 4855 15.999400 -0.847600 -1.7682E+01 5.4175E+00 6.9664E+00 H1 4856 1.008000 0.423800 -1.6865E+01 5.0658E+00 6.5092E+00 H2 4857 1.008000 0.423800 -1.8140E+01 4.6719E+00 7.4503E+00 O6 4858 15.999400 -0.847600 4.9853E+00 1.6372E+01 1.3408E+01 H1 4859 1.008000 0.423800 5.0005E+00 1.7175E+01 1.2811E+01 H2 4860 1.008000 0.423800 5.7214E+00 1.5748E+01 1.3146E+01 O6 4861 15.999400 -0.847600 1.8395E+01 -8.9889E+00 1.1504E+01 H1 4862 1.008000 0.423800 1.9364E+01 -8.7898E+00 1.1355E+01 H2 4863 1.008000 0.423800 1.7838E+01 -8.3552E+00 1.0967E+01 O6 4864 15.999400 -0.847600 1.9361E+01 -4.0358E+00 3.1624E+00 H1 4865 1.008000 0.423800 -1.9478E+01 -3.8541E+00 4.1113E+00 H2 4866 1.008000 0.423800 1.8374E+01 -3.9175E+00 3.0570E+00 O6 4867 15.999400 -0.847600 1.0696E+01 -7.6630E+00 -1.4805E+00 H1 4868 1.008000 0.423800 1.0376E+01 -6.7657E+00 -1.1765E+00 H2 4869 1.008000 0.423800 1.0113E+01 -8.3750E+00 -1.0896E+00 O6 4870 15.999400 -0.847600 1.8224E+01 -5.9756E+00 1.8942E+01 H1 4871 1.008000 0.423800 1.8755E+01 -6.8020E+00 1.8755E+01 H2 4872 1.008000 0.423800 1.7464E+01 -5.9140E+00 1.8294E+01 O6 4873 15.999400 -0.847600 -1.7872E+01 1.5316E+01 8.8547E+00 H1 4874 1.008000 0.423800 -1.7682E+01 1.4513E+01 8.2899E+00 H2 4875 1.008000 0.423800 -1.7487E+01 1.5180E+01 9.7676E+00 O6 4876 15.999400 -0.847600 -1.8832E+00 -1.6431E+01 1.6381E+01 H1 4877 1.008000 0.423800 -1.8079E+00 -1.7428E+01 1.6364E+01 H2 4878 1.008000 0.423800 -1.1069E+00 -1.6030E+01 1.5894E+01 O6 4879 15.999400 -0.847600 -1.1004E+01 -9.3373E+00 -1.8477E+01 H1 4880 1.008000 0.423800 -1.1880E+01 -9.0445E+00 -1.8094E+01 H2 4881 1.008000 0.423800 -1.1030E+01 -1.0321E+01 -1.8654E+01 O6 4882 15.999400 -0.847600 -1.7858E+01 1.2568E+00 7.0051E+00 H1 4883 1.008000 0.423800 -1.7155E+01 6.1850E-01 7.3204E+00 H2 4884 1.008000 0.423800 -1.8201E+01 9.6059E-01 6.1140E+00 O6 4885 15.999400 -0.847600 -7.6649E+00 -1.8283E+01 -1.5966E+01 H1 4886 1.008000 0.423800 -8.4238E+00 -1.7977E+01 -1.5391E+01 H2 4887 1.008000 0.423800 -6.9048E+00 -1.8577E+01 -1.5386E+01 O6 4888 15.999400 -0.847600 1.2212E+01 -7.5132E+00 -3.8822E+00 H1 4889 1.008000 0.423800 1.2524E+01 -6.5640E+00 -3.9172E+00 H2 4890 1.008000 0.423800 1.1744E+01 -7.6782E+00 -3.0138E+00 O6 4891 15.999400 -0.847600 -8.1324E+00 -6.0957E+00 -1.7146E+00 H1 4892 1.008000 0.423800 -8.6273E+00 -5.7847E+00 -9.0313E-01 H2 4893 1.008000 0.423800 -8.4327E+00 -7.0188E+00 -1.9546E+00 O6 4894 15.999400 -0.847600 7.2753E+00 -4.8507E+00 -1.6927E+01 H1 4895 1.008000 0.423800 7.6654E+00 -5.1462E+00 -1.7799E+01 H2 4896 1.008000 0.423800 7.7924E+00 -4.0688E+00 -1.6578E+01 O6 4897 15.999400 -0.847600 1.2026E+01 1.5580E+01 -5.5148E+00 H1 4898 1.008000 0.423800 1.1812E+01 1.5739E+01 -4.5510E+00 H2 4899 1.008000 0.423800 1.1179E+01 1.5424E+01 -6.0233E+00 O6 4900 15.999400 -0.847600 -7.3863E-01 -1.7816E+01 1.1010E+01 H1 4901 1.008000 0.423800 -1.7092E+00 -1.7713E+01 1.0792E+01 H2 4902 1.008000 0.423800 -6.0928E-01 -1.7742E+01 1.1999E+01 O6 4903 15.999400 -0.847600 2.4623E+00 -1.9251E+01 -1.5316E+01 H1 4904 1.008000 0.423800 1.8387E+00 -1.8815E+01 -1.5964E+01 H2 4905 1.008000 0.423800 3.4014E+00 -1.9169E+01 -1.5649E+01 O6 4906 15.999400 -0.847600 -7.6298E+00 -1.3835E+01 -3.0111E+00 H1 4907 1.008000 0.423800 -7.2173E+00 -1.3417E+01 -2.2017E+00 H2 4908 1.008000 0.423800 -7.8002E+00 -1.3131E+01 -3.7000E+00 O6 4909 15.999400 -0.847600 -9.9840E-01 -8.5948E+00 -7.8181E+00 H1 4910 1.008000 0.423800 -1.9398E+00 -8.3824E+00 -7.5562E+00 H2 4911 1.008000 0.423800 -5.8052E-01 -7.7905E+00 -8.2406E+00 O6 4912 15.999400 -0.847600 7.1755E+00 -1.0843E+01 1.3529E+01 H1 4913 1.008000 0.423800 6.6257E+00 -1.0107E+01 1.3133E+01 H2 4914 1.008000 0.423800 7.3982E+00 -1.1511E+01 1.2819E+01 O6 4915 15.999400 -0.847600 4.1731E+00 1.5688E+00 -1.1818E+01 H1 4916 1.008000 0.423800 3.9536E+00 6.0212E-01 -1.1686E+01 H2 4917 1.008000 0.423800 3.8024E+00 1.8786E+00 -1.2693E+01 O6 4918 15.999400 -0.847600 -3.7197E+00 -1.2745E+01 -2.4229E+00 H1 4919 1.008000 0.423800 -4.0046E+00 -1.3619E+01 -2.0284E+00 H2 4920 1.008000 0.423800 -4.4693E+00 -1.2363E+01 -2.9638E+00 O6 4921 15.999400 -0.847600 1.8251E+01 -1.4900E+01 -9.9582E-01 H1 4922 1.008000 0.423800 1.7899E+01 -1.4262E+01 -3.1025E-01 H2 4923 1.008000 0.423800 1.7577E+01 -1.5621E+01 -1.1571E+00 O6 4924 15.999400 -0.847600 -1.7813E+01 -7.5347E+00 1.2721E+01 H1 4925 1.008000 0.423800 -1.7522E+01 -6.5863E+00 1.2848E+01 H2 4926 1.008000 0.423800 -1.8519E+01 -7.7594E+00 1.3392E+01 O6 4927 15.999400 -0.847600 -8.2729E+00 -3.6620E-01 3.7881E+00 H1 4928 1.008000 0.423800 -8.8473E+00 -3.9015E-01 2.9699E+00 H2 4929 1.008000 0.423800 -7.3167E+00 -5.0028E-01 3.5280E+00 O6 4930 15.999400 -0.847600 9.1204E+00 8.4391E+00 9.2512E+00 H1 4931 1.008000 0.423800 9.6023E+00 8.9401E+00 8.5323E+00 H2 4932 1.008000 0.423800 9.4195E+00 7.4849E+00 9.2503E+00 O6 4933 15.999400 -0.847600 -5.4542E+00 -1.6564E+01 8.4949E+00 H1 4934 1.008000 0.423800 -5.6280E+00 -1.7357E+01 9.0788E+00 H2 4935 1.008000 0.423800 -6.3102E+00 -1.6071E+01 8.3389E+00 O6 4936 15.999400 -0.847600 -1.6560E+01 1.8266E+01 -1.8794E+01 H1 4937 1.008000 0.423800 -1.7061E+01 1.9059E+01 -1.8446E+01 H2 4938 1.008000 0.423800 -1.7205E+01 1.7615E+01 -1.9194E+01 O6 4939 15.999400 -0.847600 6.8708E+00 1.0571E+01 -1.5268E+01 H1 4940 1.008000 0.423800 6.4854E+00 1.0102E+01 -1.4474E+01 H2 4941 1.008000 0.423800 6.5183E+00 1.0153E+01 -1.6106E+01 O6 4942 15.999400 -0.847600 1.1435E+01 -8.4376E+00 1.0591E+01 H1 4943 1.008000 0.423800 1.1573E+01 -9.2104E+00 9.9717E+00 H2 4944 1.008000 0.423800 1.0848E+01 -8.7191E+00 1.1350E+01 O6 4945 15.999400 -0.847600 1.1654E+01 -1.0798E+01 4.2719E+00 H1 4946 1.008000 0.423800 1.2445E+01 -1.0403E+01 3.8049E+00 H2 4947 1.008000 0.423800 1.1635E+01 -1.1786E+01 4.1182E+00 O6 4948 15.999400 -0.847600 2.8948E+00 -5.4146E+00 7.1714E+00 H1 4949 1.008000 0.423800 2.9838E+00 -4.4218E+00 7.2522E+00 H2 4950 1.008000 0.423800 2.9491E+00 -5.8290E+00 8.0799E+00 O6 4951 15.999400 -0.847600 -1.9395E+01 -1.5679E+01 -1.7436E+01 H1 4952 1.008000 0.423800 1.8762E+01 -1.6010E+01 -1.7513E+01 H2 4953 1.008000 0.423800 -1.9306E+01 -1.4813E+01 -1.7928E+01 O6 4954 15.999400 -0.847600 -9.3811E+00 -5.8823E+00 5.5944E-01 H1 4955 1.008000 0.423800 -9.9638E+00 -5.0795E+00 6.8553E-01 H2 4956 1.008000 0.423800 -8.9284E+00 -6.1045E+00 1.4230E+00 O6 4957 15.999400 -0.847600 -1.2427E+01 -1.4813E+01 1.7302E+01 H1 4958 1.008000 0.423800 -1.2030E+01 -1.5727E+01 1.7213E+01 H2 4959 1.008000 0.423800 -1.1931E+01 -1.4176E+01 1.6712E+01 O6 4960 15.999400 -0.847600 -3.2752E+00 7.6277E+00 1.2732E+01 H1 4961 1.008000 0.423800 -3.6271E+00 7.0065E+00 1.2031E+01 H2 4962 1.008000 0.423800 -3.1971E+00 7.1399E+00 1.3601E+01 O6 4963 15.999400 -0.847600 6.8615E+00 -1.4973E+01 3.5715E+00 H1 4964 1.008000 0.423800 6.1654E+00 -1.5241E+01 4.2376E+00 H2 4965 1.008000 0.423800 7.5888E+00 -1.5659E+01 3.5552E+00 O6 4966 15.999400 -0.847600 3.0010E+00 -1.7526E+01 -1.1122E+01 H1 4967 1.008000 0.423800 2.4459E+00 -1.8340E+01 -1.1293E+01 H2 4968 1.008000 0.423800 3.9621E+00 -1.7789E+01 -1.1039E+01 O6 4969 15.999400 -0.847600 8.6192E+00 -1.7785E+01 -1.0525E+01 H1 4970 1.008000 0.423800 8.0576E+00 -1.7064E+01 -1.0930E+01 H2 4971 1.008000 0.423800 8.1366E+00 -1.8659E+01 -1.0588E+01 O6 4972 15.999400 -0.847600 1.2847E+01 -1.8534E+01 -7.0454E+00 H1 4973 1.008000 0.423800 1.2073E+01 -1.7911E+01 -6.9337E+00 H2 4974 1.008000 0.423800 1.2879E+01 -1.9168E+01 -6.2728E+00 O6 4975 15.999400 -0.847600 -7.3017E+00 6.7068E+00 -1.2789E+01 H1 4976 1.008000 0.423800 -6.4628E+00 6.5911E+00 -1.3321E+01 H2 4977 1.008000 0.423800 -7.8335E+00 5.8604E+00 -1.2817E+01 O6 4978 15.999400 -0.847600 -1.3274E+01 3.0672E+00 -1.4984E+01 H1 4979 1.008000 0.423800 -1.3605E+01 2.7504E+00 -1.4095E+01 H2 4980 1.008000 0.423800 -1.2634E+01 2.3972E+00 -1.5359E+01 O6 4981 15.999400 -0.847600 -1.7006E+01 3.5284E+00 -1.9067E+01 H1 4982 1.008000 0.423800 -1.7265E+01 3.2107E+00 -1.8155E+01 H2 4983 1.008000 0.423800 -1.7702E+01 3.2469E+00 1.9370E+01 O6 4984 15.999400 -0.847600 1.1453E+01 -4.4731E+00 -1.9143E+01 H1 4985 1.008000 0.423800 1.2408E+01 -4.2299E+00 -1.8974E+01 H2 4986 1.008000 0.423800 1.0974E+01 -3.6891E+00 -1.9538E+01 O6 4987 15.999400 -0.847600 -4.3355E+00 2.1904E+00 -9.9940E+00 H1 4988 1.008000 0.423800 -4.8014E+00 1.6986E+00 -9.2585E+00 H2 4989 1.008000 0.423800 -4.9102E+00 2.1890E+00 -1.0812E+01 O6 4990 15.999400 -0.847600 -1.0641E+01 -1.7568E+01 -1.0046E+01 H1 4991 1.008000 0.423800 -1.1157E+01 -1.8407E+01 -9.8735E+00 H2 4992 1.008000 0.423800 -9.8562E+00 -1.7774E+01 -1.0630E+01 O6 4993 15.999400 -0.847600 -1.7541E+01 -4.2393E+00 1.0402E+01 H1 4994 1.008000 0.423800 -1.7996E+01 -3.9329E+00 1.1238E+01 H2 4995 1.008000 0.423800 -1.6559E+01 -4.0633E+00 1.0474E+01 O6 4996 15.999400 -0.847600 -5.5947E+00 -1.1148E+01 -3.7329E+00 H1 4997 1.008000 0.423800 -5.6421E+00 -1.0341E+01 -3.1443E+00 H2 4998 1.008000 0.423800 -5.2241E+00 -1.0889E+01 -4.6247E+00 O6 4999 15.999400 -0.847600 -5.1423E+00 -1.9375E+01 1.6511E+01 H1 5000 1.008000 0.423800 -4.4659E+00 1.9367E+01 1.7156E+01 H2 5001 1.008000 0.423800 -5.3373E+00 1.9029E+01 1.5817E+01 O6 5002 15.999400 -0.847600 3.6339E+00 1.3023E+01 1.4923E+01 H1 5003 1.008000 0.423800 3.1135E+00 1.3799E+01 1.4566E+01 H2 5004 1.008000 0.423800 4.5530E+00 1.3029E+01 1.4529E+01 O6 5005 15.999400 -0.847600 -1.4695E+01 -1.4690E+01 5.8017E+00 H1 5006 1.008000 0.423800 -1.5527E+01 -1.4671E+01 5.2477E+00 H2 5007 1.008000 0.423800 -1.4925E+01 -1.4943E+01 6.7413E+00 O6 5008 15.999400 -0.847600 5.2435E+00 -1.5003E+01 8.4061E+00 H1 5009 1.008000 0.423800 4.9625E+00 -1.5892E+01 8.7681E+00 H2 5010 1.008000 0.423800 4.8382E+00 -1.4275E+01 8.9589E+00 O6 5011 15.999400 -0.847600 1.7128E+01 -1.1626E+01 -1.2064E+01 H1 5012 1.008000 0.423800 1.7509E+01 -1.1047E+01 -1.1343E+01 H2 5013 1.008000 0.423800 1.6907E+01 -1.1063E+01 -1.2860E+01 O6 5014 15.999400 -0.847600 -1.3302E+01 1.3807E+01 -1.7630E+01 H1 5015 1.008000 0.423800 -1.3526E+01 1.2835E+01 -1.7559E+01 H2 5016 1.008000 0.423800 -1.3362E+01 1.4230E+01 -1.6726E+01 O6 5017 15.999400 -0.847600 5.4521E+00 -2.4897E+00 1.1522E+01 H1 5018 1.008000 0.423800 4.6240E+00 -2.3121E+00 1.2054E+01 H2 5019 1.008000 0.423800 5.4814E+00 -1.8732E+00 1.0735E+01 O6 5020 15.999400 -0.847600 -1.7921E+01 1.6709E+00 1.3975E+01 H1 5021 1.008000 0.423800 -1.8188E+01 9.4134E-01 1.3345E+01 H2 5022 1.008000 0.423800 -1.7368E+01 1.2873E+00 1.4714E+01 O6 5023 15.999400 -0.847600 -1.4060E+01 -9.5478E+00 -1.7864E+01 H1 5024 1.008000 0.423800 -1.4982E+01 -9.7754E+00 -1.7551E+01 H2 5025 1.008000 0.423800 -1.4117E+01 -9.0116E+00 -1.8706E+01 O6 5026 15.999400 -0.847600 1.5187E+01 -1.6720E+01 -1.6007E+01 H1 5027 1.008000 0.423800 1.4767E+01 -1.7441E+01 -1.5454E+01 H2 5028 1.008000 0.423800 1.4471E+01 -1.6142E+01 -1.6399E+01 O6 5029 15.999400 -0.847600 -1.7792E+00 -1.0297E+01 5.4469E+00 H1 5030 1.008000 0.423800 -1.7762E+00 -9.4137E+00 5.9150E+00 H2 5031 1.008000 0.423800 -2.6412E+00 -1.0410E+01 4.9528E+00 O6 5032 15.999400 -0.847600 1.6409E+01 1.1106E+01 8.7519E+00 H1 5033 1.008000 0.423800 1.5686E+01 1.0419E+01 8.6737E+00 H2 5034 1.008000 0.423800 1.6790E+01 1.1086E+01 9.6762E+00 O6 5035 15.999400 -0.847600 8.1914E+00 -7.6425E+00 -3.4987E+00 H1 5036 1.008000 0.423800 8.8773E+00 -7.6915E+00 -2.7726E+00 H2 5037 1.008000 0.423800 7.4746E+00 -8.3179E+00 -3.3260E+00 O6 5038 15.999400 -0.847600 7.7329E+00 -1.2364E+01 4.2723E+00 H1 5039 1.008000 0.423800 7.1924E+00 -1.3111E+01 3.8843E+00 H2 5040 1.008000 0.423800 8.3902E+00 -1.2040E+01 3.5920E+00 O6 5041 15.999400 -0.847600 2.2701E+00 2.2773E+00 -8.0969E+00 H1 5042 1.008000 0.423800 2.0008E+00 1.3698E+00 -8.4193E+00 H2 5043 1.008000 0.423800 3.2260E+00 2.4461E+00 -8.3369E+00 O6 5044 15.999400 -0.847600 3.6026E+00 1.0264E+01 1.5837E+01 H1 5045 1.008000 0.423800 3.7262E+00 1.0922E+01 1.5095E+01 H2 5046 1.008000 0.423800 2.8585E+00 1.0569E+01 1.6432E+01 O6 5047 15.999400 -0.847600 1.7982E+01 -5.7784E+00 -9.9928E+00 H1 5048 1.008000 0.423800 1.8102E+01 -6.2103E+00 -9.0988E+00 H2 5049 1.008000 0.423800 1.8819E+01 -5.8866E+00 -1.0530E+01 O6 5050 15.999400 -0.847600 -7.8932E+00 3.6631E+00 1.6720E+01 H1 5051 1.008000 0.423800 -7.5643E+00 3.7809E+00 1.7657E+01 H2 5052 1.008000 0.423800 -7.1133E+00 3.5418E+00 1.6105E+01 O6 5053 15.999400 -0.847600 -1.2772E+01 -1.7394E+01 2.0584E+00 H1 5054 1.008000 0.423800 -1.3172E+01 -1.7483E+01 1.1460E+00 H2 5055 1.008000 0.423800 -1.2374E+01 -1.6482E+01 2.1600E+00 O6 5056 15.999400 -0.847600 1.9075E+01 6.3455E+00 1.0083E+00 H1 5057 1.008000 0.423800 1.9217E+01 5.3569E+00 9.5670E-01 H2 5058 1.008000 0.423800 1.8231E+01 6.5358E+00 1.5095E+00 O6 5059 15.999400 -0.847600 -9.3593E-02 1.0180E+01 -6.4487E+00 H1 5060 1.008000 0.423800 -3.3528E-01 9.3338E+00 -6.9240E+00 H2 5061 1.008000 0.423800 2.0030E-02 1.0916E+01 -7.1157E+00 O6 5062 15.999400 -0.847600 8.3155E+00 1.6305E+01 1.1558E+01 H1 5063 1.008000 0.423800 8.8540E+00 1.7060E+01 1.1185E+01 H2 5064 1.008000 0.423800 7.3793E+00 1.6359E+01 1.1211E+01 O6 5065 15.999400 -0.847600 1.3185E+01 1.1394E+01 3.8354E+00 H1 5066 1.008000 0.423800 1.3398E+01 1.1369E+01 4.8121E+00 H2 5067 1.008000 0.423800 1.2198E+01 1.1293E+01 3.7069E+00 O6 5068 15.999400 -0.847600 -1.4885E+01 1.3034E+01 -2.6760E+00 H1 5069 1.008000 0.423800 -1.4392E+01 1.3611E+01 -2.0253E+00 H2 5070 1.008000 0.423800 -1.5012E+01 1.2123E+01 -2.2835E+00 O6 5071 15.999400 -0.847600 -1.2319E+01 8.9865E+00 1.0406E+01 H1 5072 1.008000 0.423800 -1.2172E+01 8.8787E+00 9.4226E+00 H2 5073 1.008000 0.423800 -1.2612E+01 9.9229E+00 1.0599E+01 O6 5074 15.999400 -0.847600 1.1863E+01 -1.0602E+01 -1.9470E+01 H1 5075 1.008000 0.423800 1.2337E+01 -9.8999E+00 -1.8939E+01 H2 5076 1.008000 0.423800 1.2163E+01 -1.0558E+01 1.8674E+01 O6 5077 15.999400 -0.847600 6.3455E+00 -1.2925E+01 1.1357E+01 H1 5078 1.008000 0.423800 6.1175E+00 -1.3897E+01 1.1302E+01 H2 5079 1.008000 0.423800 6.6669E+00 -1.2607E+01 1.0465E+01 O6 5080 15.999400 -0.847600 -1.0539E+01 -6.2623E+00 1.0205E+01 H1 5081 1.008000 0.423800 -1.0325E+01 -5.9479E+00 9.2798E+00 H2 5082 1.008000 0.423800 -1.0047E+01 -5.7008E+00 1.0870E+01 O6 5083 15.999400 -0.847600 -1.3746E+01 -2.7348E+00 -1.8620E+01 H1 5084 1.008000 0.423800 -1.2772E+01 -2.5110E+00 -1.8587E+01 H2 5085 1.008000 0.423800 -1.4006E+01 -3.2183E+00 -1.7784E+01 O6 5086 15.999400 -0.847600 -1.5561E+01 -1.2333E+01 -5.0024E+00 H1 5087 1.008000 0.423800 -1.5771E+01 -1.3055E+01 -5.6620E+00 H2 5088 1.008000 0.423800 -1.5504E+01 -1.1455E+01 -5.4766E+00 O6 5089 15.999400 -0.847600 -1.8505E+01 -2.7072E+00 1.2450E+01 H1 5090 1.008000 0.423800 -1.8326E+01 -2.2363E+00 1.3314E+01 H2 5091 1.008000 0.423800 -1.9460E+01 -3.0051E+00 1.2425E+01 O6 5092 15.999400 -0.847600 -1.6291E+01 -1.0004E+01 8.3127E+00 H1 5093 1.008000 0.423800 -1.6387E+01 -1.0999E+01 8.3279E+00 H2 5094 1.008000 0.423800 -1.5645E+01 -9.7424E+00 7.5949E+00 O6 5095 15.999400 -0.847600 -2.8421E+00 -7.3678E+00 1.5995E+01 H1 5096 1.008000 0.423800 -3.0197E+00 -8.1692E+00 1.6566E+01 H2 5097 1.008000 0.423800 -2.9548E+00 -6.5377E+00 1.6541E+01 O6 5098 15.999400 -0.847600 6.7157E+00 1.9350E+01 -1.4594E+00 H1 5099 1.008000 0.423800 7.4935E+00 1.9228E+01 -8.4287E-01 H2 5100 1.008000 0.423800 6.0077E+00 1.8679E+01 -1.2397E+00 O6 5101 15.999400 -0.847600 9.0792E+00 -8.4529E+00 -1.6368E+01 H1 5102 1.008000 0.423800 8.8152E+00 -9.4043E+00 -1.6209E+01 H2 5103 1.008000 0.423800 9.3039E+00 -8.3261E+00 -1.7334E+01 O6 5104 15.999400 -0.847600 1.4758E+01 -1.8953E+01 -1.1663E+01 H1 5105 1.008000 0.423800 1.4429E+01 1.9221E+01 -1.1466E+01 H2 5106 1.008000 0.423800 1.5722E+01 -1.8992E+01 -1.1927E+01 O6 5107 15.999400 -0.847600 2.5433E+00 4.4503E+00 -1.2279E+01 H1 5108 1.008000 0.423800 3.3294E+00 4.8570E+00 -1.1814E+01 H2 5109 1.008000 0.423800 1.7847E+00 4.3585E+00 -1.1634E+01 O6 5110 15.999400 -0.847600 -1.0039E-01 1.4982E+01 -4.7605E+00 H1 5111 1.008000 0.423800 4.5094E-01 1.4178E+01 -4.5394E+00 H2 5112 1.008000 0.423800 -8.9803E-01 1.4703E+01 -5.2951E+00 O6 5113 15.999400 -0.847600 1.2140E+01 -1.8585E+01 -1.6195E+01 H1 5114 1.008000 0.423800 1.1355E+01 -1.8000E+01 -1.5992E+01 H2 5115 1.008000 0.423800 1.2868E+01 -1.8408E+01 -1.5534E+01 O6 5116 15.999400 -0.847600 1.5131E+00 9.1631E+00 9.5237E+00 H1 5117 1.008000 0.423800 1.6311E+00 8.5119E+00 1.0273E+01 H2 5118 1.008000 0.423800 2.0694E+00 9.9757E+00 9.6974E+00 O6 5119 15.999400 -0.847600 1.3379E+01 -4.7292E+00 -9.5281E+00 H1 5120 1.008000 0.423800 1.4365E+01 -4.7548E+00 -9.6969E+00 H2 5121 1.008000 0.423800 1.3178E+01 -5.1848E+00 -8.6610E+00 O6 5122 15.999400 -0.847600 -3.0277E+00 1.7969E+01 -3.2339E+00 H1 5123 1.008000 0.423800 -3.5294E+00 1.7744E+01 -4.0691E+00 H2 5124 1.008000 0.423800 -3.3414E+00 1.7382E+01 -2.4879E+00 O6 5125 15.999400 -0.847600 2.8820E+00 -9.1463E+00 3.5624E+00 H1 5126 1.008000 0.423800 2.9598E+00 -8.2682E+00 4.0345E+00 H2 5127 1.008000 0.423800 3.7765E+00 -9.5928E+00 3.5397E+00 O6 5128 15.999400 -0.847600 3.6697E-02 -1.1288E+00 -6.5152E+00 H1 5129 1.008000 0.423800 7.7439E-01 -1.8036E+00 -6.5381E+00 H2 5130 1.008000 0.423800 -7.1558E-01 -1.4376E+00 -7.0972E+00 O6 5131 15.999400 -0.847600 -4.0151E+00 -5.6028E+00 1.8009E+01 H1 5132 1.008000 0.423800 -4.8410E+00 -5.6383E+00 1.7447E+01 H2 5133 1.008000 0.423800 -4.2343E+00 -5.8911E+00 1.8941E+01 O6 5134 15.999400 -0.847600 1.3560E+01 -1.5956E+01 8.7756E+00 H1 5135 1.008000 0.423800 1.2780E+01 -1.5863E+01 8.1571E+00 H2 5136 1.008000 0.423800 1.3946E+01 -1.6875E+01 8.6897E+00 O6 5137 15.999400 -0.847600 2.6203E+00 1.6272E+01 -1.0363E+00 H1 5138 1.008000 0.423800 2.3958E+00 1.6158E+01 -6.8473E-02 H2 5139 1.008000 0.423800 2.6585E+00 1.5376E+01 -1.4774E+00 O6 5140 15.999400 -0.847600 9.7568E+00 -1.2312E+01 -5.4341E+00 H1 5141 1.008000 0.423800 9.2536E+00 -1.2188E+01 -6.2893E+00 H2 5142 1.008000 0.423800 9.4903E+00 -1.1600E+01 -4.7842E+00 O6 5143 15.999400 -0.847600 4.2002E+00 -1.3120E+01 -1.3298E+00 H1 5144 1.008000 0.423800 4.1234E+00 -1.3450E+01 -3.8869E-01 H2 5145 1.008000 0.423800 3.9022E+00 -1.3838E+01 -1.9594E+00 O6 5146 15.999400 -0.847600 -8.4214E+00 9.8740E+00 -2.9403E+00 H1 5147 1.008000 0.423800 -9.2215E+00 1.0219E+01 -3.4311E+00 H2 5148 1.008000 0.423800 -8.3566E+00 8.8837E+00 -3.0626E+00 O6 5149 15.999400 -0.847600 5.5670E+00 1.2816E+01 -1.0719E+01 H1 5150 1.008000 0.423800 5.6345E+00 1.3461E+01 -1.1480E+01 H2 5151 1.008000 0.423800 6.0686E+00 1.1980E+01 -1.0945E+01 O6 5152 15.999400 -0.847600 -1.7711E+01 9.7249E+00 -2.5671E-01 H1 5153 1.008000 0.423800 -1.7481E+01 8.8548E+00 1.7922E-01 H2 5154 1.008000 0.423800 -1.7239E+01 1.0469E+01 2.1533E-01 O6 5155 15.999400 -0.847600 -1.6579E+01 1.7731E+01 -7.9381E+00 H1 5156 1.008000 0.423800 -1.6794E+01 1.6863E+01 -7.4886E+00 H2 5157 1.008000 0.423800 -1.6163E+01 1.7550E+01 -8.8293E+00 O6 5158 15.999400 -0.847600 -1.8906E+01 1.4517E+00 1.8236E+01 H1 5159 1.008000 0.423800 1.9247E+01 1.7444E+00 1.8386E+01 H2 5160 1.008000 0.423800 -1.8779E+01 5.3292E-01 1.8609E+01 O6 5161 15.999400 -0.847600 2.2012E+00 1.2557E+01 -1.5301E+01 H1 5162 1.008000 0.423800 1.8602E+00 1.2254E+01 -1.6191E+01 H2 5163 1.008000 0.423800 3.0939E+00 1.2992E+01 -1.5417E+01 O6 5164 15.999400 -0.847600 -5.7434E+00 -1.9173E+01 9.6087E+00 H1 5165 1.008000 0.423800 -6.1812E+00 -1.9488E+01 1.0451E+01 H2 5166 1.008000 0.423800 -5.8198E+00 1.9216E+01 8.9077E+00 O6 5167 15.999400 -0.847600 -4.6187E+00 -7.9647E+00 1.9508E+00 H1 5168 1.008000 0.423800 -5.4632E+00 -7.5420E+00 1.6218E+00 H2 5169 1.008000 0.423800 -3.9383E+00 -7.2542E+00 2.1299E+00 O6 5170 15.999400 -0.847600 -9.5548E+00 -1.7417E+01 1.4916E+01 H1 5171 1.008000 0.423800 -9.0527E+00 -1.6642E+01 1.5299E+01 H2 5172 1.008000 0.423800 -9.8624E+00 -1.7192E+01 1.3992E+01 O6 5173 15.999400 -0.847600 -5.6101E+00 -1.9369E+01 -1.3983E+01 H1 5174 1.008000 0.423800 -5.5105E+00 -1.8782E+01 -1.3179E+01 H2 5175 1.008000 0.423800 -5.1945E+00 1.8838E+01 -1.3798E+01 O6 5176 15.999400 -0.847600 5.1351E+00 -1.8341E+01 -1.6314E+01 H1 5177 1.008000 0.423800 4.7430E+00 -1.7668E+01 -1.6941E+01 H2 5178 1.008000 0.423800 5.0795E+00 -1.9252E+01 -1.6724E+01 O6 5179 15.999400 -0.847600 9.7323E+00 1.3285E+01 3.7150E+00 H1 5180 1.008000 0.423800 9.0526E+00 1.3943E+01 3.3920E+00 H2 5181 1.008000 0.423800 1.0362E+01 1.3738E+01 4.3456E+00 O6 5182 15.999400 -0.847600 1.0288E+01 3.8417E+00 9.4520E+00 H1 5183 1.008000 0.423800 9.5464E+00 3.4922E+00 8.8795E+00 H2 5184 1.008000 0.423800 1.0182E+01 3.4934E+00 1.0383E+01 O6 5185 15.999400 -0.847600 -1.4116E+01 -8.7389E+00 -9.9886E+00 H1 5186 1.008000 0.423800 -1.3139E+01 -8.9292E+00 -1.0086E+01 H2 5187 1.008000 0.423800 -1.4632E+01 -9.5910E+00 -1.0076E+01 O6 5188 15.999400 -0.847600 -1.7459E+01 -3.2231E+00 1.7096E+00 H1 5189 1.008000 0.423800 -1.8405E+01 -3.1054E+00 2.0125E+00 H2 5190 1.008000 0.423800 -1.7403E+01 -4.0026E+00 1.0857E+00 O6 5191 15.999400 -0.847600 4.2722E+00 -1.8641E+00 4.5081E+00 H1 5192 1.008000 0.423800 4.9173E+00 -2.4015E+00 3.9649E+00 H2 5193 1.008000 0.423800 3.7703E+00 -1.2406E+00 3.9088E+00 O6 5194 15.999400 -0.847600 1.2543E+01 8.8689E+00 1.0168E+01 H1 5195 1.008000 0.423800 1.3186E+01 8.8335E+00 1.0933E+01 H2 5196 1.008000 0.423800 1.1817E+01 8.1962E+00 1.0311E+01 O6 5197 15.999400 -0.847600 -5.7976E+00 7.7023E+00 -1.8914E+01 H1 5198 1.008000 0.423800 -6.6780E+00 7.5489E+00 -1.9363E+01 H2 5199 1.008000 0.423800 -5.4381E+00 8.5961E+00 -1.9182E+01 O6 5200 15.999400 -0.847600 1.8773E+01 -1.3236E+01 5.4451E+00 H1 5201 1.008000 0.423800 1.8691E+01 -1.2239E+01 5.4341E+00 H2 5202 1.008000 0.423800 1.9519E+01 -1.3502E+01 6.0557E+00 O6 5203 15.999400 -0.847600 5.8546E+00 1.3411E+01 -1.8118E+01 H1 5204 1.008000 0.423800 6.8537E+00 1.3389E+01 -1.8080E+01 H2 5205 1.008000 0.423800 5.5462E+00 1.3035E+01 -1.8992E+01 O6 5206 15.999400 -0.847600 9.7745E+00 -9.0572E+00 1.4880E+01 H1 5207 1.008000 0.423800 9.1976E+00 -9.6568E+00 1.5435E+01 H2 5208 1.008000 0.423800 1.0583E+01 -9.5609E+00 1.4575E+01 O6 5209 15.999400 -0.847600 1.6774E+01 -1.6953E+01 -6.1898E-01 H1 5210 1.008000 0.423800 1.6534E+01 -1.7508E+01 -1.4152E+00 H2 5211 1.008000 0.423800 1.7303E+01 -1.7505E+01 2.5682E-02 O6 5212 15.999400 -0.847600 -1.0531E+01 1.0776E+01 -1.7796E+01 H1 5213 1.008000 0.423800 -1.0633E+01 1.1769E+01 -1.7738E+01 H2 5214 1.008000 0.423800 -1.1366E+01 1.0377E+01 -1.8174E+01 O6 5215 15.999400 -0.847600 1.7693E+01 -1.1172E+01 9.7464E+00 H1 5216 1.008000 0.423800 1.7692E+01 -1.0400E+01 1.0381E+01 H2 5217 1.008000 0.423800 1.7626E+01 -1.0833E+01 8.8082E+00 O6 5218 15.999400 -0.847600 -6.1495E+00 -5.4412E+00 1.6359E+01 H1 5219 1.008000 0.423800 -6.7147E+00 -4.8402E+00 1.5793E+01 H2 5220 1.008000 0.423800 -6.1185E+00 -6.3525E+00 1.5948E+01 O6 5221 15.999400 -0.847600 -7.2605E+00 5.6260E+00 2.2517E+00 H1 5222 1.008000 0.423800 -7.7475E+00 6.4124E+00 2.6318E+00 H2 5223 1.008000 0.423800 -6.3171E+00 5.8859E+00 2.0459E+00 O6 5224 15.999400 -0.847600 -8.5980E+00 -6.1225E+00 -1.2544E+01 H1 5225 1.008000 0.423800 -8.5754E+00 -5.3958E+00 -1.1857E+01 H2 5226 1.008000 0.423800 -8.3134E+00 -6.9851E+00 -1.2126E+01 O6 5227 15.999400 -0.847600 -1.6292E+01 -1.6750E+01 -8.4635E+00 H1 5228 1.008000 0.423800 -1.6357E+01 -1.7594E+01 -7.9321E+00 H2 5229 1.008000 0.423800 -1.7210E+01 -1.6393E+01 -8.6380E+00 O6 5230 15.999400 -0.847600 8.3174E+00 -8.7953E+00 -1.1736E+01 H1 5231 1.008000 0.423800 8.9976E+00 -9.4476E+00 -1.2071E+01 H2 5232 1.008000 0.423800 8.2226E+00 -8.8914E+00 -1.0746E+01 O6 5233 15.999400 -0.847600 -7.6135E+00 -3.8826E+00 1.4730E+01 H1 5234 1.008000 0.423800 -8.4560E+00 -3.4746E+00 1.5082E+01 H2 5235 1.008000 0.423800 -7.0636E+00 -3.1776E+00 1.4282E+01 O6 5236 15.999400 -0.847600 5.1505E+00 9.0310E+00 -4.4816E+00 H1 5237 1.008000 0.423800 4.4168E+00 8.6369E+00 -3.9281E+00 H2 5238 1.008000 0.423800 4.7881E+00 9.2969E+00 -5.3748E+00 O6 5239 15.999400 -0.847600 1.6487E+00 -7.7948E+00 8.5838E+00 H1 5240 1.008000 0.423800 1.7969E+00 -7.4123E+00 9.4958E+00 H2 5241 1.008000 0.423800 7.0699E-01 -8.1228E+00 8.5090E+00 O6 5242 15.999400 -0.847600 5.8231E+00 -7.5178E+00 1.4776E+01 H1 5243 1.008000 0.423800 5.1229E+00 -7.5696E+00 1.5488E+01 H2 5244 1.008000 0.423800 6.3650E+00 -6.6868E+00 1.4901E+01 O6 5245 15.999400 -0.847600 1.3833E+01 1.8373E+01 -1.0187E+00 H1 5246 1.008000 0.423800 1.3470E+01 1.8773E+01 -1.8603E+00 H2 5247 1.008000 0.423800 1.3077E+01 1.8057E+01 -4.4638E-01 O6 5248 15.999400 -0.847600 -1.2137E+01 -1.9271E+01 -3.0406E+00 H1 5249 1.008000 0.423800 -1.1546E+01 -1.9073E+01 -2.2584E+00 H2 5250 1.008000 0.423800 -1.2128E+01 1.8844E+01 -3.2252E+00 O6 5251 15.999400 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-1.6278E+01 H2 5268 1.008000 0.423800 1.1834E+01 -5.2837E+00 -1.7554E+01 O6 5269 15.999400 -0.847600 6.0413E+00 1.6625E+01 1.0028E+01 H1 5270 1.008000 0.423800 5.7884E+00 1.7220E+01 9.2650E+00 H2 5271 1.008000 0.423800 5.7132E+00 1.5697E+01 9.8505E+00 O6 5272 15.999400 -0.847600 2.7301E+00 -1.1685E+01 1.4769E+01 H1 5273 1.008000 0.423800 3.0652E+00 -1.1865E+01 1.3844E+01 H2 5274 1.008000 0.423800 2.4458E+00 -1.0729E+01 1.4840E+01 O6 5275 15.999400 -0.847600 -1.3536E+01 -1.8498E+01 -1.6887E+01 H1 5276 1.008000 0.423800 -1.3632E+01 -1.9309E+01 -1.7464E+01 H2 5277 1.008000 0.423800 -1.3519E+01 -1.8774E+01 -1.5926E+01 O6 5278 15.999400 -0.847600 -9.1696E+00 -1.2569E+00 1.7298E+01 H1 5279 1.008000 0.423800 -9.4616E+00 -1.9156E+00 1.6604E+01 H2 5280 1.008000 0.423800 -9.9312E+00 -1.0650E+00 1.7917E+01 O6 5281 15.999400 -0.847600 1.2019E+01 1.1287E+01 -1.4504E+01 H1 5282 1.008000 0.423800 1.1290E+01 1.1294E+01 -1.5189E+01 H2 5283 1.008000 0.423800 1.2421E+01 1.2200E+01 -1.4436E+01 O6 5284 15.999400 -0.847600 -1.6536E+01 1.9711E+00 9.8966E+00 H1 5285 1.008000 0.423800 -1.6862E+01 1.4299E+00 1.0672E+01 H2 5286 1.008000 0.423800 -1.6193E+01 2.8512E+00 1.0225E+01 O6 5287 15.999400 -0.847600 6.2633E+00 -7.7944E+00 -1.3128E+01 H1 5288 1.008000 0.423800 6.4642E+00 -7.4129E+00 -1.4030E+01 H2 5289 1.008000 0.423800 7.1194E+00 -8.0244E+00 -1.2665E+01 O6 5290 15.999400 -0.847600 7.5743E+00 -3.1218E+00 1.8456E+01 H1 5291 1.008000 0.423800 6.8200E+00 -3.6436E+00 1.8854E+01 H2 5292 1.008000 0.423800 8.1494E+00 -2.7559E+00 1.9188E+01 O6 5293 15.999400 -0.847600 8.2236E+00 1.6153E+01 4.6063E+00 H1 5294 1.008000 0.423800 8.3447E+00 1.6271E+01 5.5920E+00 H2 5295 1.008000 0.423800 9.0867E+00 1.6345E+01 4.1392E+00 O6 5296 15.999400 -0.847600 1.1891E+00 -5.0892E+00 1.5789E+01 H1 5297 1.008000 0.423800 1.0397E+00 -4.9477E+00 1.6767E+01 H2 5298 1.008000 0.423800 3.5201E-01 -4.8677E+00 1.5288E+01 O6 5299 15.999400 -0.847600 -1.1047E+01 6.2360E+00 -1.2613E+01 H1 5300 1.008000 0.423800 -1.0321E+01 5.6722E+00 -1.3007E+01 H2 5301 1.008000 0.423800 -1.1083E+01 7.1144E+00 -1.3090E+01 O6 5302 15.999400 -0.847600 5.5932E+00 4.9291E+00 8.0251E+00 H1 5303 1.008000 0.423800 4.7896E+00 5.5000E+00 8.1937E+00 H2 5304 1.008000 0.423800 5.3536E+00 3.9679E+00 8.1612E+00 O6 5305 15.999400 -0.847600 -8.8752E+00 1.6810E+01 -9.5661E+00 H1 5306 1.008000 0.423800 -9.1155E+00 1.7764E+01 -9.3877E+00 H2 5307 1.008000 0.423800 -8.9257E+00 1.6289E+01 -8.7142E+00 O6 5308 15.999400 -0.847600 -8.8899E+00 -1.8026E+01 -3.0090E+00 H1 5309 1.008000 0.423800 -7.9565E+00 -1.8233E+01 -2.7159E+00 H2 5310 1.008000 0.423800 -9.5148E+00 -1.8715E+01 -2.6424E+00 O6 5311 15.999400 -0.847600 -9.2092E+00 -4.3485E+00 -1.8251E+01 H1 5312 1.008000 0.423800 -8.4880E+00 -4.2202E+00 -1.7570E+01 H2 5313 1.008000 0.423800 -8.8366E+00 -4.1890E+00 -1.9165E+01 O6 5314 15.999400 -0.847600 7.6196E+00 -1.8313E+01 1.0060E+01 H1 5315 1.008000 0.423800 6.6475E+00 -1.8128E+01 9.9158E+00 H2 5316 1.008000 0.423800 7.7488E+00 -1.9286E+01 1.0252E+01 O6 5317 15.999400 -0.847600 -1.5044E+01 6.7144E+00 -4.3737E+00 H1 5318 1.008000 0.423800 -1.5623E+01 7.4314E+00 -4.7609E+00 H2 5319 1.008000 0.423800 -1.4373E+01 6.4233E+00 -5.0560E+00 O6 5320 15.999400 -0.847600 -1.0726E+01 -1.2984E+01 -2.9072E+00 H1 5321 1.008000 0.423800 -1.0506E+01 -1.3948E+01 -2.7566E+00 H2 5322 1.008000 0.423800 -1.1666E+01 -1.2905E+01 -3.2392E+00 O6 5323 15.999400 -0.847600 9.1523E+00 -1.6457E+00 4.2968E-01 H1 5324 1.008000 0.423800 8.7291E+00 -8.5750E-01 8.7662E-01 H2 5325 1.008000 0.423800 9.9936E+00 -1.8902E+00 9.1178E-01 O6 5326 15.999400 -0.847600 1.6936E+01 -1.0022E+01 -5.1720E+00 H1 5327 1.008000 0.423800 1.6067E+01 -1.0245E+01 -5.6133E+00 H2 5328 1.008000 0.423800 1.6826E+01 -9.1959E+00 -4.6188E+00 O6 5329 15.999400 -0.847600 9.2332E+00 -9.5514E+00 1.9245E+01 H1 5330 1.008000 0.423800 9.4320E+00 -8.5900E+00 1.9054E+01 H2 5331 1.008000 0.423800 1.0085E+01 -1.0034E+01 1.9449E+01 O6 5332 15.999400 -0.847600 -2.4123E+00 1.2214E+01 1.5061E+01 H1 5333 1.008000 0.423800 -2.9903E+00 1.2013E+01 1.5852E+01 H2 5334 1.008000 0.423800 -2.5978E+00 1.1551E+01 1.4336E+01 O6 5335 15.999400 -0.847600 -1.4635E+01 5.3585E+00 8.9649E+00 H1 5336 1.008000 0.423800 -1.3999E+01 5.8810E+00 8.3974E+00 H2 5337 1.008000 0.423800 -1.5043E+01 4.6256E+00 8.4203E+00 O6 5338 15.999400 -0.847600 -1.4147E+01 -2.0678E+00 -8.9216E+00 H1 5339 1.008000 0.423800 -1.4479E+01 -1.1468E+00 -9.1253E+00 H2 5340 1.008000 0.423800 -1.4261E+01 -2.2550E+00 -7.9460E+00 O6 5341 15.999400 -0.847600 -8.5232E+00 -1.5470E+01 -1.9487E+01 H1 5342 1.008000 0.423800 -8.2653E+00 -1.5575E+01 1.8650E+01 H2 5343 1.008000 0.423800 -9.4123E+00 -1.5016E+01 -1.9428E+01 O6 5344 15.999400 -0.847600 -1.5144E+01 1.9113E+00 -1.3013E+01 H1 5345 1.008000 0.423800 -1.4481E+01 1.1640E+00 -1.3059E+01 H2 5346 1.008000 0.423800 -1.6058E+01 1.5591E+00 -1.3216E+01 O6 5347 15.999400 -0.847600 1.5434E+01 6.1605E+00 1.8764E+01 H1 5348 1.008000 0.423800 1.5863E+01 7.0420E+00 1.8565E+01 H2 5349 1.008000 0.423800 1.4640E+01 6.0346E+00 1.8169E+01 O6 5350 15.999400 -0.847600 1.5226E+01 -1.2449E+01 -5.5973E-01 H1 5351 1.008000 0.423800 1.4818E+01 -1.2870E+01 -1.3694E+00 H2 5352 1.008000 0.423800 1.5967E+01 -1.3027E+01 -2.1992E-01 O6 5353 15.999400 -0.847600 1.8841E+01 -6.6975E+00 8.1406E+00 H1 5354 1.008000 0.423800 1.8147E+01 -6.0081E+00 8.3468E+00 H2 5355 1.008000 0.423800 1.9342E+01 -6.9255E+00 8.9753E+00 O6 5356 15.999400 -0.847600 1.5623E+01 1.7200E+01 5.1604E+00 H1 5357 1.008000 0.423800 1.5472E+01 1.8143E+01 4.8642E+00 H2 5358 1.008000 0.423800 1.6496E+01 1.6873E+01 4.7990E+00 O6 5359 15.999400 -0.847600 3.9696E+00 1.4764E+01 1.0215E+01 H1 5360 1.008000 0.423800 3.8252E+00 1.5692E+01 1.0558E+01 H2 5361 1.008000 0.423800 3.0956E+00 1.4279E+01 1.0188E+01 O6 5362 15.999400 -0.847600 -1.9257E+01 1.2048E+01 1.1968E+01 H1 5363 1.008000 0.423800 1.9233E+01 1.2833E+01 1.2088E+01 H2 5364 1.008000 0.423800 1.9362E+01 1.1329E+01 1.1465E+01 O6 5365 15.999400 -0.847600 1.6909E+01 -3.7419E+00 1.9555E+00 H1 5366 1.008000 0.423800 1.6405E+01 -4.5479E+00 2.2664E+00 H2 5367 1.008000 0.423800 1.7003E+01 -3.7713E+00 9.6048E-01 O6 5368 15.999400 -0.847600 1.5814E+01 -1.9310E+01 -7.6092E+00 H1 5369 1.008000 0.423800 1.5973E+01 1.9114E+01 -8.3316E+00 H2 5370 1.008000 0.423800 1.4885E+01 -1.8949E+01 -7.6881E+00 O6 5371 15.999400 -0.847600 -7.5313E+00 6.8078E+00 -6.7931E+00 H1 5372 1.008000 0.423800 -6.7736E+00 6.3678E+00 -7.2752E+00 H2 5373 1.008000 0.423800 -7.2199E+00 7.6742E+00 -6.4030E+00 O6 5374 15.999400 -0.847600 8.7746E+00 -5.7433E+00 -1.9061E+01 H1 5375 1.008000 0.423800 9.6826E+00 -5.3269E+00 -1.9109E+01 H2 5376 1.008000 0.423800 8.3736E+00 -5.7735E+00 1.9121E+01 O6 5377 15.999400 -0.847600 1.4796E+01 1.8077E+01 1.8508E+01 H1 5378 1.008000 0.423800 1.4205E+01 1.7669E+01 1.7812E+01 H2 5379 1.008000 0.423800 1.5191E+01 1.8925E+01 1.8154E+01 O6 5380 15.999400 -0.847600 6.8163E+00 9.4987E+00 -1.7932E+01 H1 5381 1.008000 0.423800 7.4620E+00 1.0008E+01 -1.8501E+01 H2 5382 1.008000 0.423800 5.9911E+00 9.3001E+00 -1.8461E+01 O6 5383 15.999400 -0.847600 7.0586E+00 7.4056E+00 -3.5059E+00 H1 5384 1.008000 0.423800 6.8267E+00 6.9780E+00 -2.6322E+00 H2 5385 1.008000 0.423800 6.2264E+00 7.7523E+00 -3.9386E+00 O6 5386 15.999400 -0.847600 -1.2105E+01 1.6635E+00 -1.8633E+01 H1 5387 1.008000 0.423800 -1.2028E+01 1.2164E+00 -1.7742E+01 H2 5388 1.008000 0.423800 -1.3034E+01 2.0157E+00 -1.8750E+01 O6 5389 15.999400 -0.847600 -5.2538E+00 1.8210E+01 -1.8861E+01 H1 5390 1.008000 0.423800 -4.8599E+00 1.8063E+01 1.9330E+01 H2 5391 1.008000 0.423800 -5.0382E+00 1.9135E+01 -1.8550E+01 O6 5392 15.999400 -0.847600 -9.1168E+00 -4.0558E+00 -1.0938E+01 H1 5393 1.008000 0.423800 -1.0029E+01 -4.1670E+00 -1.1332E+01 H2 5394 1.008000 0.423800 -8.8549E+00 -3.0913E+00 -1.0971E+01 O6 5395 15.999400 -0.847600 -5.2044E+00 1.2240E+01 4.1985E+00 H1 5396 1.008000 0.423800 -4.4955E+00 1.1580E+01 4.4483E+00 H2 5397 1.008000 0.423800 -5.0315E+00 1.2581E+01 3.2746E+00 O6 5398 15.999400 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-8.0061E-01 H2 5415 1.008000 0.423800 5.2837E+00 1.6713E+01 2.5919E-01 O6 5416 15.999400 -0.847600 -8.4400E+00 1.1384E+01 -6.3722E+00 H1 5417 1.008000 0.423800 -9.2717E+00 1.0905E+01 -6.6534E+00 H2 5418 1.008000 0.423800 -8.5375E+00 1.1694E+01 -5.4265E+00 O6 5419 15.999400 -0.847600 1.4741E+01 1.3948E+01 -1.3471E+01 H1 5420 1.008000 0.423800 1.5111E+01 1.3966E+01 -1.2543E+01 H2 5421 1.008000 0.423800 1.3804E+01 1.4294E+01 -1.3464E+01 O6 5422 15.999400 -0.847600 1.9474E+00 1.0110E+01 -1.3796E+01 H1 5423 1.008000 0.423800 1.3597E+00 1.0489E+01 -1.3082E+01 H2 5424 1.008000 0.423800 2.3319E+00 1.0854E+01 -1.4342E+01 O6 5425 15.999400 -0.847600 -1.5124E+01 -1.6026E+01 8.4923E+00 H1 5426 1.008000 0.423800 -1.4661E+01 -1.5550E+01 9.2400E+00 H2 5427 1.008000 0.423800 -1.4484E+01 -1.6655E+01 8.0509E+00 O6 5428 15.999400 -0.847600 1.6928E+01 -1.5355E+01 -4.3599E+00 H1 5429 1.008000 0.423800 1.6469E+01 -1.5863E+01 -5.0885E+00 H2 5430 1.008000 0.423800 1.6486E+01 -1.4465E+01 -4.2460E+00 O6 5431 15.999400 -0.847600 1.4582E+01 1.5702E+01 -1.6974E+00 H1 5432 1.008000 0.423800 1.5015E+01 1.5595E+01 -2.5920E+00 H2 5433 1.008000 0.423800 1.4489E+01 1.6675E+01 -1.4857E+00 O6 5434 15.999400 -0.847600 -9.2166E+00 1.4328E+01 1.8668E+01 H1 5435 1.008000 0.423800 -9.9026E+00 1.4374E+01 1.9394E+01 H2 5436 1.008000 0.423800 -8.3089E+00 1.4487E+01 1.9057E+01 O6 5437 15.999400 -0.847600 -4.1626E-01 1.2581E+00 1.4207E+01 H1 5438 1.008000 0.423800 4.1733E-01 1.8092E+00 1.4246E+01 H2 5439 1.008000 0.423800 -6.1378E-01 8.8851E-01 1.5115E+01 O6 5440 15.999400 -0.847600 -1.8236E+01 7.0225E+00 1.7012E+01 H1 5441 1.008000 0.423800 -1.8946E+01 6.6834E+00 1.6395E+01 H2 5442 1.008000 0.423800 -1.8028E+01 6.3242E+00 1.7696E+01 O6 5443 15.999400 -0.847600 -1.7039E+00 1.8044E+01 -1.4681E+01 H1 5444 1.008000 0.423800 -1.5626E+00 1.8935E+01 -1.4248E+01 H2 5445 1.008000 0.423800 -9.2934E-01 1.7447E+01 -1.4474E+01 O6 5446 15.999400 -0.847600 1.6078E-01 -7.2870E+00 -1.9355E+01 H1 5447 1.008000 0.423800 -6.5452E-01 -7.6096E+00 1.9262E+01 H2 5448 1.008000 0.423800 1.0333E-02 -7.3450E+00 -1.8368E+01 O6 5449 15.999400 -0.847600 4.9343E+00 1.7339E-01 -1.7537E+01 H1 5450 1.008000 0.423800 4.6739E+00 1.0997E+00 -1.7809E+01 H2 5451 1.008000 0.423800 5.9219E+00 1.3599E-01 -1.7385E+01 O6 5452 15.999400 -0.847600 1.8013E+01 9.9271E+00 1.0789E+01 H1 5453 1.008000 0.423800 1.8822E+01 9.3615E+00 1.0626E+01 H2 5454 1.008000 0.423800 1.7596E+01 9.6688E+00 1.1661E+01 O6 5455 15.999400 -0.847600 6.6602E+00 1.0987E+01 1.1237E+01 H1 5456 1.008000 0.423800 7.4543E+00 1.0752E+01 1.1798E+01 H2 5457 1.008000 0.423800 6.0290E+00 1.0212E+01 1.1212E+01 O6 5458 15.999400 -0.847600 -1.5389E+01 -1.7086E+01 1.1683E+01 H1 5459 1.008000 0.423800 -1.5581E+01 -1.6580E+01 1.2524E+01 H2 5460 1.008000 0.423800 -1.5926E+01 -1.6700E+01 1.0933E+01 O6 5461 15.999400 -0.847600 -1.2348E+01 -4.2496E+00 -4.6778E+00 H1 5462 1.008000 0.423800 -1.2312E+01 -4.6412E+00 -5.5972E+00 H2 5463 1.008000 0.423800 -1.2699E+01 -4.9331E+00 -4.0381E+00 O6 5464 15.999400 -0.847600 -7.5462E+00 -1.0379E+00 -6.3089E+00 H1 5465 1.008000 0.423800 -6.7963E+00 -1.2821E+00 -5.6940E+00 H2 5466 1.008000 0.423800 -8.1361E+00 -3.6414E-01 -5.8638E+00 O6 5467 15.999400 -0.847600 -1.2164E+01 -2.9585E+00 1.1853E+01 H1 5468 1.008000 0.423800 -1.1307E+01 -3.2669E+00 1.1441E+01 H2 5469 1.008000 0.423800 -1.2093E+01 -3.0096E+00 1.2849E+01 O6 5470 15.999400 -0.847600 -1.5084E+01 2.7845E+00 7.8668E+00 H1 5471 1.008000 0.423800 -1.5580E+01 2.1446E+00 8.4538E+00 H2 5472 1.008000 0.423800 -1.5170E+01 2.4970E+00 6.9129E+00 O6 5473 15.999400 -0.847600 -1.0820E+01 -1.4921E+01 4.7287E+00 H1 5474 1.008000 0.423800 -1.1464E+01 -1.5649E+01 4.9636E+00 H2 5475 1.008000 0.423800 -9.9744E+00 -1.5044E+01 5.2481E+00 O6 5476 15.999400 -0.847600 -9.5831E+00 -1.0860E+00 -1.5957E+01 H1 5477 1.008000 0.423800 -9.5318E+00 -1.8706E+00 -1.5340E+01 H2 5478 1.008000 0.423800 -8.7704E+00 -5.1533E-01 -1.5840E+01 O6 5479 15.999400 -0.847600 -8.5479E+00 1.2325E+00 -1.0047E+01 H1 5480 1.008000 0.423800 -8.8402E+00 2.1147E+00 -9.6776E+00 H2 5481 1.008000 0.423800 -8.0109E+00 1.3803E+00 -1.0877E+01 O6 5482 15.999400 -0.847600 5.7816E+00 6.8298E+00 -8.8568E+00 H1 5483 1.008000 0.423800 5.6695E+00 7.7853E+00 -9.1298E+00 H2 5484 1.008000 0.423800 5.0432E+00 6.5725E+00 -8.2335E+00 O6 5485 15.999400 -0.847600 -1.7004E+01 7.0576E+00 9.1970E+00 H1 5486 1.008000 0.423800 -1.6314E+01 6.4563E+00 9.5997E+00 H2 5487 1.008000 0.423800 -1.7233E+01 6.7346E+00 8.2786E+00 O6 5488 15.999400 -0.847600 8.1209E+00 1.2089E+01 5.9213E+00 H1 5489 1.008000 0.423800 8.7405E+00 1.2381E+01 5.1929E+00 H2 5490 1.008000 0.423800 8.2259E+00 1.2693E+01 6.7110E+00 O6 5491 15.999400 -0.847600 6.5593E-01 -1.3922E+01 -3.8213E+00 H1 5492 1.008000 0.423800 1.5954E+00 -1.4241E+01 -3.9462E+00 H2 5493 1.008000 0.423800 6.0018E-01 -1.2951E+01 -4.0534E+00 O6 5494 15.999400 -0.847600 4.8945E+00 -9.0506E+00 -1.9509E+01 H1 5495 1.008000 0.423800 4.0257E+00 -9.5051E+00 -1.9312E+01 H2 5496 1.008000 0.423800 5.6502E+00 -9.6700E+00 -1.9296E+01 O6 5497 15.999400 -0.847600 -1.3723E+00 2.2758E-01 -2.6013E+00 H1 5498 1.008000 0.423800 -1.7117E+00 -7.0659E-01 -2.7116E+00 H2 5499 1.008000 0.423800 -9.6613E-01 5.3825E-01 -3.4606E+00 O6 5500 15.999400 -0.847600 5.5278E+00 1.6133E+01 1.7535E+00 H1 5501 1.008000 0.423800 6.2558E+00 1.5450E+01 1.8216E+00 H2 5502 1.008000 0.423800 5.7732E+00 1.6937E+01 2.2948E+00 O6 5503 15.999400 -0.847600 -3.1795E+00 1.5618E+01 1.6545E+01 H1 5504 1.008000 0.423800 -2.7204E+00 1.4977E+01 1.7160E+01 H2 5505 1.008000 0.423800 -4.0288E+00 1.5935E+01 1.6967E+01 O6 5506 15.999400 -0.847600 9.3734E+00 -1.6375E+01 1.0713E+01 H1 5507 1.008000 0.423800 8.9824E+00 -1.7282E+01 1.0552E+01 H2 5508 1.008000 0.423800 8.7610E+00 -1.5847E+01 1.1301E+01 O6 5509 15.999400 -0.847600 1.0324E+01 1.6331E+01 2.9495E+00 H1 5510 1.008000 0.423800 1.1222E+01 1.5937E+01 2.7550E+00 H2 5511 1.008000 0.423800 9.8407E+00 1.6499E+01 2.0903E+00 O6 5512 15.999400 -0.847600 -7.4913E+00 -1.1124E+01 -8.8950E+00 H1 5513 1.008000 0.423800 -6.8879E+00 -1.0856E+01 -9.6460E+00 H2 5514 1.008000 0.423800 -7.2911E+00 -1.0565E+01 -8.0906E+00 O6 5515 15.999400 -0.847600 2.9292E+00 5.3340E+00 -4.7763E+00 H1 5516 1.008000 0.423800 3.2863E+00 5.7812E+00 -5.5964E+00 H2 5517 1.008000 0.423800 1.9363E+00 5.2429E+00 -4.8520E+00 O6 5518 15.999400 -0.847600 6.3576E+00 -1.5657E+01 -7.0245E+00 H1 5519 1.008000 0.423800 6.7072E+00 -1.4813E+01 -6.6173E+00 H2 5520 1.008000 0.423800 5.7507E+00 -1.5432E+01 -7.7869E+00 O6 5521 15.999400 -0.847600 1.1149E+01 1.4356E+01 1.7530E+01 H1 5522 1.008000 0.423800 1.1079E+01 1.3395E+01 1.7265E+01 H2 5523 1.008000 0.423800 1.1178E+01 1.4927E+01 1.6710E+01 O6 5524 15.999400 -0.847600 -1.0034E+01 -1.4272E+01 -1.6017E+01 H1 5525 1.008000 0.423800 -9.1662E+00 -1.4630E+01 -1.6362E+01 H2 5526 1.008000 0.423800 -1.0755E+01 -1.4950E+01 -1.6159E+01 O6 5527 15.999400 -0.847600 -6.7735E-01 8.2576E+00 -1.7646E+01 H1 5528 1.008000 0.423800 -2.3411E-01 9.1255E+00 -1.7870E+01 H2 5529 1.008000 0.423800 -1.4328E+00 8.4234E+00 -1.7012E+01 O6 5530 15.999400 -0.847600 1.2344E+01 3.4163E+00 1.7520E+01 H1 5531 1.008000 0.423800 1.1964E+01 3.2775E+00 1.6605E+01 H2 5532 1.008000 0.423800 1.3342E+01 3.3830E+00 1.7475E+01 O6 5533 15.999400 -0.847600 1.1277E+01 -1.5076E+01 2.2008E-01 H1 5534 1.008000 0.423800 1.2134E+01 -1.4563E+01 2.7508E-01 H2 5535 1.008000 0.423800 1.1386E+01 -1.5958E+01 6.7735E-01 O6 5536 15.999400 -0.847600 -6.2329E+00 1.4094E+01 -1.2573E+00 H1 5537 1.008000 0.423800 -6.9284E+00 1.4737E+01 -1.5765E+00 H2 5538 1.008000 0.423800 -6.5799E+00 1.3159E+01 -1.3408E+00 O6 5539 15.999400 -0.847600 -3.8904E+00 6.8884E+00 -6.3297E+00 H1 5540 1.008000 0.423800 -4.3547E+00 6.4496E+00 -5.5604E+00 H2 5541 1.008000 0.423800 -4.2297E+00 6.5027E+00 -7.1877E+00 O6 5542 15.999400 -0.847600 -1.7359E+01 -3.2391E+00 -1.5231E+01 H1 5543 1.008000 0.423800 -1.8043E+01 -3.0258E+00 -1.5928E+01 H2 5544 1.008000 0.423800 -1.7506E+01 -4.1690E+00 -1.4893E+01 O6 5545 15.999400 -0.847600 -1.2321E+01 4.1221E+00 1.1617E+01 H1 5546 1.008000 0.423800 -1.3116E+01 3.7170E+00 1.2067E+01 H2 5547 1.008000 0.423800 -1.1489E+01 3.6682E+00 1.1937E+01 O6 5548 15.999400 -0.847600 1.0152E+01 -1.6794E+01 -1.5335E+01 H1 5549 1.008000 0.423800 9.1998E+00 -1.7099E+01 -1.5339E+01 H2 5550 1.008000 0.423800 1.0499E+01 -1.6794E+01 -1.4397E+01 O6 5551 15.999400 -0.847600 5.3146E+00 1.4259E+01 -1.3212E+01 H1 5552 1.008000 0.423800 5.9485E+00 1.5001E+01 -1.3432E+01 H2 5553 1.008000 0.423800 5.2455E+00 1.3638E+01 -1.3992E+01 O6 5554 15.999400 -0.847600 6.0671E+00 5.8722E+00 -1.2831E+00 H1 5555 1.008000 0.423800 5.5137E+00 6.3219E+00 -5.8195E-01 H2 5556 1.008000 0.423800 6.9675E+00 5.6531E+00 -9.0718E-01 O6 5557 15.999400 -0.847600 -1.0328E+01 1.6760E+01 -6.0692E+00 H1 5558 1.008000 0.423800 -1.0802E+01 1.6082E+01 -5.5081E+00 H2 5559 1.008000 0.423800 -9.9701E+00 1.7487E+01 -5.4826E+00 O6 5560 15.999400 -0.847600 -4.3646E-01 1.2705E+01 -7.7888E+00 H1 5561 1.008000 0.423800 -9.9598E-01 1.2605E+01 -8.6116E+00 H2 5562 1.008000 0.423800 2.7153E-01 1.3393E+01 -7.9486E+00 O6 5563 15.999400 -0.847600 -1.0872E+01 1.4644E+01 -4.5484E+00 H1 5564 1.008000 0.423800 -9.9618E+00 1.4258E+01 -4.4014E+00 H2 5565 1.008000 0.423800 -1.1565E+01 1.3997E+01 -4.2301E+00 O6 5566 15.999400 -0.847600 3.9548E+00 -1.0421E+01 -1.3965E+01 H1 5567 1.008000 0.423800 3.1362E+00 -1.0123E+01 -1.3473E+01 H2 5568 1.008000 0.423800 3.6864E+00 -1.0948E+01 -1.4771E+01 O6 5569 15.999400 -0.847600 1.0628E+01 1.2137E+00 4.2623E+00 H1 5570 1.008000 0.423800 1.0040E+01 2.0210E+00 4.3165E+00 H2 5571 1.008000 0.423800 1.1587E+01 1.4966E+00 4.2938E+00 O6 5572 15.999400 -0.847600 2.9088E+00 -8.0427E+00 -5.2523E+00 H1 5573 1.008000 0.423800 2.8426E+00 -8.1247E+00 -4.2579E+00 H2 5574 1.008000 0.423800 2.9311E+00 -7.0758E+00 -5.5063E+00 O6 5575 15.999400 -0.847600 -1.6318E+01 -1.5842E+01 1.3917E+01 H1 5576 1.008000 0.423800 -1.6953E+01 -1.6500E+01 1.4321E+01 H2 5577 1.008000 0.423800 -1.6812E+01 -1.5007E+01 1.3676E+01 O6 5578 15.999400 -0.847600 1.9192E+01 -1.2493E+01 -3.0537E+00 H1 5579 1.008000 0.423800 1.8886E+01 -1.3432E+01 -2.8948E+00 H2 5580 1.008000 0.423800 1.9461E+01 -1.2388E+01 -4.0109E+00 O6 5581 15.999400 -0.847600 5.6230E+00 2.5873E-01 5.6983E+00 H1 5582 1.008000 0.423800 6.5621E+00 3.0691E-01 5.3578E+00 H2 5583 1.008000 0.423800 5.1736E+00 -5.5190E-01 5.3229E+00 O6 5584 15.999400 -0.847600 1.8956E+01 -4.1621E+00 -3.0458E+00 H1 5585 1.008000 0.423800 1.8789E+01 -4.7861E+00 -3.8092E+00 H2 5586 1.008000 0.423800 -1.9181E+01 -3.8832E+00 -3.0471E+00 O6 5587 15.999400 -0.847600 -4.3067E+00 3.9277E+00 -4.8390E+00 H1 5588 1.008000 0.423800 -4.6690E+00 4.7942E+00 -4.4954E+00 H2 5589 1.008000 0.423800 -4.9819E+00 3.2041E+00 -4.6960E+00 O6 5590 15.999400 -0.847600 3.9007E+00 -1.2910E+01 -8.1564E+00 H1 5591 1.008000 0.423800 2.9363E+00 -1.2711E+01 -7.9825E+00 H2 5592 1.008000 0.423800 3.9939E+00 -1.3853E+01 -8.4759E+00 O6 5593 15.999400 -0.847600 -4.5927E+00 1.2510E+01 1.2434E+00 H1 5594 1.008000 0.423800 -4.4748E+00 1.1553E+01 9.7638E-01 H2 5595 1.008000 0.423800 -3.9403E+00 1.3079E+01 7.4252E-01 O6 5596 15.999400 -0.847600 -1.3380E+01 -9.7469E+00 2.7846E+00 H1 5597 1.008000 0.423800 -1.3846E+01 -1.0631E+01 2.8252E+00 H2 5598 1.008000 0.423800 -1.3949E+01 -9.0935E+00 2.2844E+00 O6 5599 15.999400 -0.847600 1.7412E+01 -4.3741E+00 8.6995E+00 H1 5600 1.008000 0.423800 1.7958E+01 -3.5580E+00 8.5092E+00 H2 5601 1.008000 0.423800 1.6892E+01 -4.2380E+00 9.5429E+00 O6 5602 15.999400 -0.847600 1.0042E+00 1.8099E+01 1.8590E+01 H1 5603 1.008000 0.423800 1.0817E+00 1.7752E+01 1.7655E+01 H2 5604 1.008000 0.423800 8.6216E-02 1.8469E+01 1.8733E+01 O6 5605 15.999400 -0.847600 4.2820E+00 -5.9022E+00 -1.8327E+01 H1 5606 1.008000 0.423800 3.8672E+00 -6.8111E+00 -1.8371E+01 H2 5607 1.008000 0.423800 4.4415E+00 -5.6554E+00 -1.7371E+01 O6 5608 15.999400 -0.847600 -8.7861E+00 6.8644E+00 9.3056E+00 H1 5609 1.008000 0.423800 -9.5584E+00 7.1364E+00 8.7315E+00 H2 5610 1.008000 0.423800 -9.1158E+00 6.6375E+00 1.0222E+01 O6 5611 15.999400 -0.847600 1.0095E+00 1.0884E+01 -1.7505E+01 H1 5612 1.008000 0.423800 1.7887E+00 1.0937E+01 -1.8130E+01 H2 5613 1.008000 0.423800 2.1908E-01 1.1335E+01 -1.7920E+01 O6 5614 15.999400 -0.847600 -1.8627E+01 6.1217E-01 4.2478E+00 H1 5615 1.008000 0.423800 -1.8143E+01 6.1276E-03 3.6163E+00 H2 5616 1.008000 0.423800 1.9491E+01 4.1471E-01 4.2146E+00 O6 5617 15.999400 -0.847600 2.5402E-01 -2.4262E+00 -1.1498E+01 H1 5618 1.008000 0.423800 3.6128E-01 -1.9843E+00 -1.0607E+01 H2 5619 1.008000 0.423800 -1.8460E-01 -1.7915E+00 -1.2134E+01 O6 5620 15.999400 -0.847600 1.6666E+01 -5.9159E+00 -1.7670E+01 H1 5621 1.008000 0.423800 1.7276E+01 -5.7933E+00 -1.8453E+01 H2 5622 1.008000 0.423800 1.6209E+01 -6.8028E+00 -1.7739E+01 O6 5623 15.999400 -0.847600 9.5722E-01 1.0278E+01 -1.4721E+00 H1 5624 1.008000 0.423800 5.9887E-01 1.1187E+01 -1.2617E+00 H2 5625 1.008000 0.423800 1.6904E+00 1.0356E+01 -2.1475E+00 O6 5626 15.999400 -0.847600 8.4652E+00 1.8684E+01 -1.2742E+01 H1 5627 1.008000 0.423800 9.2161E+00 1.9338E+01 -1.2834E+01 H2 5628 1.008000 0.423800 8.1351E+00 1.8687E+01 -1.1798E+01 O6 5629 15.999400 -0.847600 3.2234E+00 -1.2916E+01 -1.1983E+01 H1 5630 1.008000 0.423800 2.2675E+00 -1.2842E+01 -1.2267E+01 H2 5631 1.008000 0.423800 3.4913E+00 -1.2085E+01 -1.1495E+01 O6 5632 15.999400 -0.847600 3.3851E-01 4.8530E+00 -1.5837E+01 H1 5633 1.008000 0.423800 3.7770E-01 5.2773E+00 -1.6742E+01 H2 5634 1.008000 0.423800 1.0664E+00 5.2264E+00 -1.5262E+01 O6 5635 15.999400 -0.847600 9.6487E+00 1.3623E+01 -1.3142E+01 H1 5636 1.008000 0.423800 9.1546E+00 1.2753E+01 -1.3134E+01 H2 5637 1.008000 0.423800 9.2377E+00 1.4246E+01 -1.2476E+01 O6 5638 15.999400 -0.847600 -3.8658E+00 -7.7388E+00 -1.4256E+01 H1 5639 1.008000 0.423800 -3.0810E+00 -7.6610E+00 -1.3642E+01 H2 5640 1.008000 0.423800 -3.7407E+00 -7.1249E+00 -1.5036E+01 O6 5641 15.999400 -0.847600 4.0659E+00 1.3415E+01 2.8442E+00 H1 5642 1.008000 0.423800 3.9193E+00 1.4395E+01 2.7086E+00 H2 5643 1.008000 0.423800 3.2338E+00 1.3002E+01 3.2139E+00 O6 5644 15.999400 -0.847600 1.4336E+01 1.8925E+01 1.1375E+01 H1 5645 1.008000 0.423800 1.4518E+01 1.7946E+01 1.1279E+01 H2 5646 1.008000 0.423800 1.4891E+01 1.9433E+01 1.0717E+01 O6 5647 15.999400 -0.847600 3.6637E+00 1.9072E+01 1.6415E+01 H1 5648 1.008000 0.423800 3.7818E+00 1.8089E+01 1.6269E+01 H2 5649 1.008000 0.423800 4.5333E+00 1.9473E+01 1.6703E+01 O6 5650 15.999400 -0.847600 -6.3216E+00 -1.1418E+01 7.7008E+00 H1 5651 1.008000 0.423800 -6.2848E+00 -1.0866E+01 6.8678E+00 H2 5652 1.008000 0.423800 -5.9766E+00 -1.2336E+01 7.5074E+00 O6 5653 15.999400 -0.847600 -1.2632E+01 1.0123E+01 -1.0012E+01 H1 5654 1.008000 0.423800 -1.3154E+01 9.3823E+00 -9.5873E+00 H2 5655 1.008000 0.423800 -1.2725E+01 1.0953E+01 -9.4625E+00 O6 5656 15.999400 -0.847600 1.8607E+01 -1.0546E+01 1.8766E+00 H1 5657 1.008000 0.423800 1.8706E+01 -9.6904E+00 1.3689E+00 H2 5658 1.008000 0.423800 1.9487E+01 -1.1021E+01 1.9045E+00 O6 5659 15.999400 -0.847600 -1.5143E+01 1.5791E+01 1.5087E+01 H1 5660 1.008000 0.423800 -1.5417E+01 1.6593E+01 1.4555E+01 H2 5661 1.008000 0.423800 -1.5221E+01 1.5997E+01 1.6063E+01 O6 5662 15.999400 -0.847600 5.0975E+00 -1.0760E+01 3.2776E+00 H1 5663 1.008000 0.423800 5.6751E+00 -1.1141E+01 2.5553E+00 H2 5664 1.008000 0.423800 5.6537E+00 -1.0193E+01 3.8851E+00 O6 5665 15.999400 -0.847600 6.7440E+00 -1.1788E+00 1.6139E+01 H1 5666 1.008000 0.423800 7.1008E+00 -1.7848E+00 1.6850E+01 H2 5667 1.008000 0.423800 7.4108E+00 -1.1061E+00 1.5398E+01 O6 5668 15.999400 -0.847600 1.7349E+01 1.9051E+00 1.8890E+01 H1 5669 1.008000 0.423800 1.6410E+01 2.2346E+00 1.8797E+01 H2 5670 1.008000 0.423800 1.7398E+01 1.2451E+00 -1.9458E+01 O6 5671 15.999400 -0.847600 1.8089E+00 2.9622E+00 1.4889E+01 H1 5672 1.008000 0.423800 1.5213E+00 3.8508E+00 1.4531E+01 H2 5673 1.008000 0.423800 1.7538E+00 2.9710E+00 1.5887E+01 O6 5674 15.999400 -0.847600 -1.0022E+00 1.3391E+01 2.2988E+00 H1 5675 1.008000 0.423800 -1.1588E+00 1.2571E+01 1.7488E+00 H2 5676 1.008000 0.423800 -5.3545E-01 1.4080E+01 1.7442E+00 O6 5677 15.999400 -0.847600 -1.2495E+01 -4.0612E-01 1.1123E+01 H1 5678 1.008000 0.423800 -1.2634E+01 5.1536E-02 1.2001E+01 H2 5679 1.008000 0.423800 -1.2264E+01 -1.3662E+00 1.1281E+01 O6 5680 15.999400 -0.847600 -8.6410E+00 -1.1129E+01 4.9106E+00 H1 5681 1.008000 0.423800 -9.1121E+00 -1.1581E+01 4.1533E+00 H2 5682 1.008000 0.423800 -9.0498E+00 -1.1416E+01 5.7767E+00 O6 5683 15.999400 -0.847600 3.7410E+00 1.1563E+01 9.1578E+00 H1 5684 1.008000 0.423800 3.9255E+00 1.0638E+01 8.8235E+00 H2 5685 1.008000 0.423800 4.4288E+00 1.2191E+01 8.7953E+00 O6 5686 15.999400 -0.847600 1.0729E-01 -6.4512E+00 -1.5209E+01 H1 5687 1.008000 0.423800 -5.6655E-02 -7.2305E+00 -1.5814E+01 H2 5688 1.008000 0.423800 1.0765E+00 -6.2066E+00 -1.5236E+01 O6 5689 15.999400 -0.847600 -2.4314E+00 1.2492E+01 8.7890E+00 H1 5690 1.008000 0.423800 -1.6767E+00 1.2284E+01 8.1669E+00 H2 5691 1.008000 0.423800 -2.8269E+00 1.3379E+01 8.5478E+00 O6 5692 15.999400 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-5.7807E+00 -2.3328E+00 1.2736E+01 H2 5709 1.008000 0.423800 -5.2451E+00 -1.3611E+00 1.3934E+01 O6 5710 15.999400 -0.847600 1.0256E+01 1.9167E+00 3.1349E-01 H1 5711 1.008000 0.423800 1.0498E+01 2.6874E+00 9.0284E-01 H2 5712 1.008000 0.423800 1.0061E+01 1.1141E+00 8.7747E-01 O6 5713 15.999400 -0.847600 1.1533E+01 1.7995E+01 2.5692E-01 H1 5714 1.008000 0.423800 1.1869E+01 1.7753E+01 1.1672E+00 H2 5715 1.008000 0.423800 1.0612E+01 1.7627E+01 1.3309E-01 O6 5716 15.999400 -0.847600 6.7947E+00 -1.4843E+01 6.1082E-01 H1 5717 1.008000 0.423800 6.7600E+00 -1.5688E+01 7.6804E-02 H2 5718 1.008000 0.423800 6.4752E+00 -1.5024E+01 1.5411E+00 O6 5719 15.999400 -0.847600 1.3870E+01 1.3671E+01 -1.6126E+01 H1 5720 1.008000 0.423800 1.3368E+01 1.4511E+01 -1.6330E+01 H2 5721 1.008000 0.423800 1.4644E+01 1.3883E+01 -1.5529E+01 O6 5722 15.999400 -0.847600 1.0249E+01 1.0491E+01 3.5139E+00 H1 5723 1.008000 0.423800 9.5638E+00 9.8577E+00 3.1542E+00 H2 5724 1.008000 0.423800 9.8458E+00 1.1401E+01 3.6072E+00 O6 5725 15.999400 -0.847600 -4.7982E+00 -1.8208E+01 1.6135E+00 H1 5726 1.008000 0.423800 -4.8502E+00 -1.7978E+01 2.5853E+00 H2 5727 1.008000 0.423800 -4.3917E+00 -1.7445E+01 1.1115E+00 O6 5728 15.999400 -0.847600 1.7977E+01 -3.2038E+00 -1.4115E+01 H1 5729 1.008000 0.423800 1.8318E+01 -2.2639E+00 -1.4124E+01 H2 5730 1.008000 0.423800 1.6996E+01 -3.2042E+00 -1.4312E+01 O6 5731 15.999400 -0.847600 1.5022E+01 -1.1872E+01 -8.0846E+00 H1 5732 1.008000 0.423800 1.4407E+01 -1.1591E+01 -7.3477E+00 H2 5733 1.008000 0.423800 1.4490E+01 -1.2293E+01 -8.8193E+00 O6 5734 15.999400 -0.847600 8.9102E+00 -1.6563E+01 1.6965E+01 H1 5735 1.008000 0.423800 7.9810E+00 -1.6200E+01 1.7036E+01 H2 5736 1.008000 0.423800 9.0179E+00 -1.7330E+01 1.7598E+01 O6 5737 15.999400 -0.847600 1.2653E+01 1.1063E+01 -9.2043E+00 H1 5738 1.008000 0.423800 1.2374E+01 1.1331E+01 -8.2822E+00 H2 5739 1.008000 0.423800 1.2050E+01 1.0339E+01 -9.5385E+00 O6 5740 15.999400 -0.847600 2.0730E+00 2.3793E+00 -5.2767E+00 H1 5741 1.008000 0.423800 2.2905E+00 2.2263E+00 -6.2407E+00 H2 5742 1.008000 0.423800 2.3710E+00 3.2956E+00 -5.0092E+00 O6 5743 15.999400 -0.847600 -1.5247E+01 6.3856E+00 1.7648E+01 H1 5744 1.008000 0.423800 -1.5962E+01 6.5489E+00 1.8328E+01 H2 5745 1.008000 0.423800 -1.5657E+01 6.0069E+00 1.6818E+01 O6 5746 15.999400 -0.847600 1.7040E+01 2.0156E-01 -1.2013E+01 H1 5747 1.008000 0.423800 1.6846E+01 1.1048E+00 -1.2396E+01 H2 5748 1.008000 0.423800 1.7297E+01 2.9537E-01 -1.1051E+01 O6 5749 15.999400 -0.847600 9.7094E+00 -1.8143E+01 1.2448E+00 H1 5750 1.008000 0.423800 9.1277E+00 -1.8930E+01 1.0363E+00 H2 5751 1.008000 0.423800 1.0420E+01 -1.8059E+01 5.4576E-01 O6 5752 15.999400 -0.847600 -1.8047E+01 -9.1751E+00 -2.2075E+00 H1 5753 1.008000 0.423800 -1.8891E+01 -9.5709E+00 -1.8464E+00 H2 5754 1.008000 0.423800 -1.7359E+01 -9.8936E+00 -2.3085E+00 O6 5755 15.999400 -0.847600 -5.0826E+00 -1.4151E+01 1.7987E+01 H1 5756 1.008000 0.423800 -5.5894E+00 -1.4993E+01 1.8172E+01 H2 5757 1.008000 0.423800 -5.6139E+00 -1.3366E+01 1.8304E+01 O6 5758 15.999400 -0.847600 1.1665E+01 6.4626E+00 -1.5356E+01 H1 5759 1.008000 0.423800 1.1048E+01 5.7919E+00 -1.4943E+01 H2 5760 1.008000 0.423800 1.1892E+01 6.1778E+00 -1.6287E+01 O6 5761 15.999400 -0.847600 1.0545E+01 -1.8756E+01 -1.2883E+01 H1 5762 1.008000 0.423800 1.1499E+01 -1.8746E+01 -1.3182E+01 H2 5763 1.008000 0.423800 1.0482E+01 -1.8392E+01 -1.1954E+01 O6 5764 15.999400 -0.847600 -9.3341E-01 1.2067E+01 -1.8969E+01 H1 5765 1.008000 0.423800 -6.4537E-01 1.2787E+01 1.9498E+01 H2 5766 1.008000 0.423800 -1.8449E+00 1.2278E+01 -1.8616E+01 O6 5767 15.999400 -0.847600 -1.5049E+00 1.0734E+01 1.5844E+00 H1 5768 1.008000 0.423800 -1.9900E+00 1.0925E+01 7.3113E-01 H2 5769 1.008000 0.423800 -6.6980E-01 1.0221E+01 1.3853E+00 O6 5770 15.999400 -0.847600 -1.6314E+01 -4.9634E+00 1.3524E+01 H1 5771 1.008000 0.423800 -1.6126E+01 -4.1775E+00 1.2934E+01 H2 5772 1.008000 0.423800 -1.5484E+01 -5.2102E+00 1.4024E+01 O6 5773 15.999400 -0.847600 -9.2940E+00 1.5313E+01 -1.2087E+01 H1 5774 1.008000 0.423800 -8.7772E+00 1.5612E+01 -1.2890E+01 H2 5775 1.008000 0.423800 -8.8269E+00 1.5618E+01 -1.1257E+01 O6 5776 15.999400 -0.847600 -4.9792E+00 -4.3714E+00 -1.0718E+01 H1 5777 1.008000 0.423800 -5.2415E+00 -4.6009E+00 -1.1656E+01 H2 5778 1.008000 0.423800 -5.7094E+00 -4.6436E+00 -1.0092E+01 O6 5779 15.999400 -0.847600 1.1494E+01 8.7178E+00 -3.3307E+00 H1 5780 1.008000 0.423800 1.0846E+01 7.9724E+00 -3.4876E+00 H2 5781 1.008000 0.423800 1.1825E+01 9.0622E+00 -4.2093E+00 O6 5782 15.999400 -0.847600 1.7482E+01 1.5118E+00 1.5449E+01 H1 5783 1.008000 0.423800 1.6641E+01 1.0051E+00 1.5256E+01 H2 5784 1.008000 0.423800 1.8141E+01 9.0628E-01 1.5895E+01 O6 5785 15.999400 -0.847600 9.0526E+00 -1.4114E+01 6.3610E+00 H1 5786 1.008000 0.423800 8.4655E+00 -1.3321E+01 6.5234E+00 H2 5787 1.008000 0.423800 9.3697E+00 -1.4106E+01 5.4127E+00 O6 5788 15.999400 -0.847600 8.5584E+00 1.3425E+01 -1.8538E+01 H1 5789 1.008000 0.423800 9.3324E+00 1.3398E+01 -1.7905E+01 H2 5790 1.008000 0.423800 8.5958E+00 1.4267E+01 -1.9075E+01 O6 5791 15.999400 -0.847600 1.0190E+01 -9.8668E+00 6.4175E+00 H1 5792 1.008000 0.423800 9.2563E+00 -1.0226E+01 6.4089E+00 H2 5793 1.008000 0.423800 1.0684E+01 -1.0206E+01 5.6173E+00 O6 5794 15.999400 -0.847600 -1.4051E+01 -2.2151E+00 5.3840E+00 H1 5795 1.008000 0.423800 -1.3094E+01 -2.3055E+00 5.6615E+00 H2 5796 1.008000 0.423800 -1.4337E+01 -3.0423E+00 4.9006E+00 O6 5797 15.999400 -0.847600 -1.7161E+01 -1.1771E+01 -2.9504E+00 H1 5798 1.008000 0.423800 -1.8071E+01 -1.2177E+01 -3.0368E+00 H2 5799 1.008000 0.423800 -1.6603E+01 -1.2035E+01 -3.7372E+00 O6 5800 15.999400 -0.847600 -1.5608E+01 -6.6160E+00 -1.8356E+01 H1 5801 1.008000 0.423800 -1.6513E+01 -6.6645E+00 -1.7933E+01 H2 5802 1.008000 0.423800 -1.5603E+01 -7.1596E+00 -1.9195E+01 O6 5803 15.999400 -0.847600 1.4368E+01 8.3321E+00 1.1801E+01 H1 5804 1.008000 0.423800 1.4151E+01 7.8168E+00 1.2630E+01 H2 5805 1.008000 0.423800 1.5034E+01 7.8222E+00 1.1256E+01 O6 5806 15.999400 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1.7029E+01 -2.3381E+00 H2 5823 1.008000 0.423800 9.2034E+00 1.8161E+01 -3.1068E+00 O6 5824 15.999400 -0.847600 1.7147E+01 1.7028E+01 1.9510E+01 H1 5825 1.008000 0.423800 1.7511E+01 1.6214E+01 1.9058E+01 H2 5826 1.008000 0.423800 1.6273E+01 1.7278E+01 1.9093E+01 O6 5827 15.999400 -0.847600 8.1025E+00 4.3668E+00 -1.2811E+01 H1 5828 1.008000 0.423800 7.2693E+00 4.1076E+00 -1.3300E+01 H2 5829 1.008000 0.423800 8.1073E+00 3.9361E+00 -1.1909E+01 O6 5830 15.999400 -0.847600 1.1078E+01 -2.0433E+00 2.1096E+00 H1 5831 1.008000 0.423800 1.1400E+01 -2.9081E+00 1.7241E+00 H2 5832 1.008000 0.423800 1.1788E+01 -1.6558E+00 2.6978E+00 O6 5833 15.999400 -0.847600 1.2809E+01 1.0091E+01 -1.5456E+00 H1 5834 1.008000 0.423800 1.2322E+01 9.4883E+00 -2.1781E+00 H2 5835 1.008000 0.423800 1.2771E+01 1.1031E+01 -1.8850E+00 O6 5836 15.999400 -0.847600 3.2546E+00 -1.3197E+01 -1.7322E+01 H1 5837 1.008000 0.423800 3.3283E+00 -1.4194E+01 -1.7349E+01 H2 5838 1.008000 0.423800 4.0946E+00 -1.2810E+01 -1.6941E+01 O6 5839 15.999400 -0.847600 1.0947E+01 -1.3204E+01 1.8973E+01 H1 5840 1.008000 0.423800 1.1833E+01 -1.3567E+01 1.8686E+01 H2 5841 1.008000 0.423800 1.0999E+01 -1.2208E+01 1.9037E+01 O6 5842 15.999400 -0.847600 -1.0034E+01 6.2717E+00 -1.0111E+01 H1 5843 1.008000 0.423800 -9.4902E+00 7.1039E+00 -1.0004E+01 H2 5844 1.008000 0.423800 -1.0376E+01 6.2159E+00 -1.1049E+01 O6 5845 15.999400 -0.847600 -2.1350E+00 -1.9386E+01 -1.7272E+01 H1 5846 1.008000 0.423800 -2.8278E+00 -1.8726E+01 -1.6981E+01 H2 5847 1.008000 0.423800 -2.2325E+00 1.8870E+01 -1.6741E+01 O6 5848 15.999400 -0.847600 -1.8548E+00 -1.1152E+01 1.3315E+01 H1 5849 1.008000 0.423800 -2.5493E+00 -1.1572E+01 1.2730E+01 H2 5850 1.008000 0.423800 -1.1673E+00 -1.1836E+01 1.3559E+01 O6 5851 15.999400 -0.847600 1.7224E+01 1.8295E+01 1.2275E+01 H1 5852 1.008000 0.423800 1.7171E+01 1.7831E+01 1.1391E+01 H2 5853 1.008000 0.423800 1.6319E+01 1.8640E+01 1.2525E+01 O6 5854 15.999400 -0.847600 1.4292E+01 4.5581E-01 -1.9192E+01 H1 5855 1.008000 0.423800 1.4105E+01 1.3236E+00 -1.8732E+01 H2 5856 1.008000 0.423800 1.5191E+01 1.1734E-01 -1.8914E+01 O6 5857 15.999400 -0.847600 8.9739E+00 1.5980E+01 -4.8631E+00 H1 5858 1.008000 0.423800 9.2996E+00 1.6879E+01 -4.5720E+00 H2 5859 1.008000 0.423800 8.8018E+00 1.5411E+01 -4.0587E+00 O6 5860 15.999400 -0.847600 1.0299E+01 6.4902E+00 -1.2095E+01 H1 5861 1.008000 0.423800 9.7199E+00 6.5011E+00 -1.2910E+01 H2 5862 1.008000 0.423800 1.0292E+01 5.5745E+00 -1.1693E+01 O6 5863 15.999400 -0.847600 8.9352E+00 6.0321E+00 -5.5099E-01 H1 5864 1.008000 0.423800 8.7367E+00 5.5955E+00 3.2651E-01 H2 5865 1.008000 0.423800 9.2930E+00 6.9523E+00 -3.9200E-01 O6 5866 15.999400 -0.847600 1.0234E+01 1.2136E+00 -3.5042E+00 H1 5867 1.008000 0.423800 1.0137E+01 1.8148E+00 -2.7110E+00 H2 5868 1.008000 0.423800 9.6622E+00 4.0270E-01 -3.3797E+00 O6 5869 15.999400 -0.847600 2.8305E-01 5.7914E+00 -1.8665E+01 H1 5870 1.008000 0.423800 4.6368E-02 6.7107E+00 -1.8351E+01 H2 5871 1.008000 0.423800 2.0561E-01 5.7495E+00 1.9436E+01 O6 5872 15.999400 -0.847600 -1.8261E+01 4.3685E+00 1.4896E+01 H1 5873 1.008000 0.423800 -1.8052E+01 3.4630E+00 1.4526E+01 H2 5874 1.008000 0.423800 -1.8574E+01 4.9656E+00 1.4157E+01 O6 5875 15.999400 -0.847600 1.3612E+01 -1.4322E+01 1.2868E+01 H1 5876 1.008000 0.423800 1.2948E+01 -1.5001E+01 1.2555E+01 H2 5877 1.008000 0.423800 1.3976E+01 -1.3824E+01 1.2081E+01 O6 5878 15.999400 -0.847600 -1.7320E+01 -1.3933E+01 -1.1296E+01 H1 5879 1.008000 0.423800 -1.8111E+01 -1.3505E+01 -1.1734E+01 H2 5880 1.008000 0.423800 -1.7450E+01 -1.3938E+01 -1.0304E+01 O6 5881 15.999400 -0.847600 1.3337E+01 9.7748E+00 1.3757E+00 H1 5882 1.008000 0.423800 1.3316E+01 1.0687E+01 1.7857E+00 H2 5883 1.008000 0.423800 1.3453E+01 9.8572E+00 3.8581E-01 O6 5884 15.999400 -0.847600 1.8874E+01 1.2200E+01 -8.1177E+00 H1 5885 1.008000 0.423800 1.9245E+01 1.1363E+01 -8.5184E+00 H2 5886 1.008000 0.423800 -1.9473E+01 1.2781E+01 -7.8047E+00 O6 5887 15.999400 -0.847600 1.0709E+01 8.7899E+00 -1.0280E+01 H1 5888 1.008000 0.423800 1.0450E+01 8.3155E+00 -9.4388E+00 H2 5889 1.008000 0.423800 1.0885E+01 8.1190E+00 -1.1001E+01 O6 5890 15.999400 -0.847600 5.1463E+00 -8.9894E+00 9.5727E+00 H1 5891 1.008000 0.423800 5.7472E+00 -8.4841E+00 8.9533E+00 H2 5892 1.008000 0.423800 5.2643E+00 -8.6468E+00 1.0505E+01 O6 5893 15.999400 -0.847600 1.3353E+01 1.2203E+01 1.4995E+01 H1 5894 1.008000 0.423800 1.4174E+01 1.1868E+01 1.4532E+01 H2 5895 1.008000 0.423800 1.2997E+01 1.1490E+01 1.5600E+01 O6 5896 15.999400 -0.847600 1.2590E+01 -1.3378E+01 3.2001E+00 H1 5897 1.008000 0.423800 1.2646E+01 -1.3527E+01 2.2129E+00 H2 5898 1.008000 0.423800 1.1917E+01 -1.4004E+01 3.5938E+00 O6 5899 15.999400 -0.847600 -1.9395E+01 -3.8364E+00 -1.2073E+01 H1 5900 1.008000 0.423800 1.9005E+01 -3.7941E+00 -1.2788E+01 H2 5901 1.008000 0.423800 -1.9206E+01 -2.9138E+00 -1.1737E+01 O6 5902 15.999400 -0.847600 -3.2987E-01 1.1661E+00 -5.0087E+00 H1 5903 1.008000 0.423800 5.1574E-01 1.6413E+00 -5.2520E+00 H2 5904 1.008000 0.423800 -3.0974E-01 2.3826E-01 -5.3810E+00 O6 5905 15.999400 -0.847600 1.1526E+00 3.4403E-01 -1.4339E+01 H1 5906 1.008000 0.423800 1.9915E+00 -9.3457E-03 -1.4753E+01 H2 5907 1.008000 0.423800 4.6911E-01 -3.8467E-01 -1.4297E+01 O6 5908 15.999400 -0.847600 -6.9462E-01 -3.8329E+00 -1.8034E+01 H1 5909 1.008000 0.423800 1.2537E-01 -3.4416E+00 -1.7616E+01 H2 5910 1.008000 0.423800 -1.4500E+00 -3.1819E+00 -1.7959E+01 O6 5911 15.999400 -0.847600 -1.6407E+01 1.6265E+01 -8.0230E-01 H1 5912 1.008000 0.423800 -1.6599E+01 1.6623E+01 -1.7162E+00 H2 5913 1.008000 0.423800 -1.5587E+01 1.5694E+01 -8.3381E-01 O6 5914 15.999400 -0.847600 -2.1294E+00 -4.0512E+00 1.6885E+01 H1 5915 1.008000 0.423800 -2.5501E+00 -4.8001E+00 1.7397E+01 H2 5916 1.008000 0.423800 -1.5934E+00 -3.4813E+00 1.7508E+01 O6 5917 15.999400 -0.847600 1.5755E+01 -1.2470E+01 1.1037E+01 H1 5918 1.008000 0.423800 1.5858E+01 -1.3455E+01 1.1175E+01 H2 5919 1.008000 0.423800 1.6542E+01 -1.2121E+01 1.0528E+01 O6 5920 15.999400 -0.847600 9.3950E+00 -1.2280E+01 1.9208E+00 H1 5921 1.008000 0.423800 1.0018E+01 -1.1845E+01 1.2707E+00 H2 5922 1.008000 0.423800 8.4777E+00 -1.2323E+01 1.5251E+00 O6 5923 15.999400 -0.847600 1.5293E+01 7.6124E+00 -1.4038E+00 H1 5924 1.008000 0.423800 1.4382E+01 7.2695E+00 -1.6340E+00 H2 5925 1.008000 0.423800 1.5351E+01 8.5837E+00 -1.6346E+00 O6 5926 15.999400 -0.847600 -8.8667E+00 -9.2678E+00 1.4535E+01 H1 5927 1.008000 0.423800 -9.3073E+00 -8.7700E+00 1.3788E+01 H2 5928 1.008000 0.423800 -9.3412E+00 -9.0702E+00 1.5393E+01 O6 5929 15.999400 -0.847600 -1.7194E+01 8.5262E+00 -1.0040E+01 H1 5930 1.008000 0.423800 -1.6903E+01 8.6288E+00 -9.0883E+00 H2 5931 1.008000 0.423800 -1.6553E+01 7.9278E+00 -1.0521E+01 O6 5932 15.999400 -0.847600 4.7047E-01 4.2790E+00 -2.3131E+00 H1 5933 1.008000 0.423800 1.2197E+00 4.8170E+00 -1.9266E+00 H2 5934 1.008000 0.423800 1.5263E-01 3.6156E+00 -1.6358E+00 O6 5935 15.999400 -0.847600 1.5199E+01 -3.2369E+00 1.4121E+01 H1 5936 1.008000 0.423800 1.4660E+01 -3.7135E+00 1.3427E+01 H2 5937 1.008000 0.423800 1.4644E+01 -3.1082E+00 1.4943E+01 O6 5938 15.999400 -0.847600 -2.6744E+00 1.0344E+01 -1.7026E+01 H1 5939 1.008000 0.423800 -3.0896E+00 1.0737E+01 -1.7846E+01 H2 5940 1.008000 0.423800 -3.3828E+00 9.9108E+00 -1.6469E+01 O6 5941 15.999400 -0.847600 -4.2061E+00 -1.2306E+00 2.2033E+00 H1 5942 1.008000 0.423800 -4.4432E+00 -2.0751E+00 1.7231E+00 H2 5943 1.008000 0.423800 -5.0233E+00 -6.6281E-01 2.3022E+00 O6 5944 15.999400 -0.847600 1.6032E+01 -1.2751E+01 -4.9803E+00 H1 5945 1.008000 0.423800 1.6672E+01 -1.2035E+01 -4.7029E+00 H2 5946 1.008000 0.423800 1.6239E+01 -1.3040E+01 -5.9151E+00 O6 5947 15.999400 -0.847600 -7.4652E-01 9.9428E+00 1.6319E+01 H1 5948 1.008000 0.423800 -9.5485E-02 1.0387E+01 1.6934E+01 H2 5949 1.008000 0.423800 -1.1837E+00 1.0633E+01 1.5742E+01 O6 5950 15.999400 -0.847600 -4.3451E+00 1.6623E+01 5.9832E+00 H1 5951 1.008000 0.423800 -4.1132E+00 1.6088E+01 6.7953E+00 H2 5952 1.008000 0.423800 -3.5771E+00 1.6607E+01 5.3430E+00 O6 5953 15.999400 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-2.1464E+00 -1.7624E+01 H2 5970 1.008000 0.423800 1.3432E+01 -1.1058E+00 -1.8765E+01 O6 5971 15.999400 -0.847600 -6.6747E+00 -7.7598E+00 1.5161E+01 H1 5972 1.008000 0.423800 -7.4983E+00 -8.0010E+00 1.4648E+01 H2 5973 1.008000 0.423800 -5.8655E+00 -8.0246E+00 1.4637E+01 O6 5974 15.999400 -0.847600 -2.5202E+00 -6.9928E+00 1.0320E+01 H1 5975 1.008000 0.423800 -2.0426E+00 -7.5518E+00 9.6425E+00 H2 5976 1.008000 0.423800 -2.0200E+00 -7.0191E+00 1.1186E+01 O6 5977 15.999400 -0.847600 1.2671E+01 1.4881E+00 1.5284E+01 H1 5978 1.008000 0.423800 1.2761E+01 9.0755E-01 1.6094E+01 H2 5979 1.008000 0.423800 1.3352E+01 1.2190E+00 1.4604E+01 O6 5980 15.999400 -0.847600 9.4252E+00 3.7212E+00 1.7004E+01 H1 5981 1.008000 0.423800 9.3974E+00 3.0683E+00 1.7761E+01 H2 5982 1.008000 0.423800 8.7575E+00 4.4478E+00 1.7165E+01 O6 5983 15.999400 -0.847600 9.8923E+00 1.6108E-01 -1.2629E+01 H1 5984 1.008000 0.423800 9.0620E+00 7.0695E-01 -1.2742E+01 H2 5985 1.008000 0.423800 1.0482E+01 2.8257E-01 -1.3428E+01 O6 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-1.4866E+00 O6 79 15.999400 -0.847600 7.6175E+00 1.0178E+01 1.3480E+01 H1 80 1.008000 0.423800 8.1190E+00 1.0432E+01 1.2653E+01 H2 81 1.008000 0.423800 8.0112E+00 9.3433E+00 1.3865E+01 O6 82 15.999400 -0.847600 -1.4139E+01 -1.2056E+01 2.6706E-01 H1 83 1.008000 0.423800 -1.4733E+01 -1.1296E+01 5.3221E-01 H2 84 1.008000 0.423800 -1.4491E+01 -1.2477E+01 -5.6897E-01 O6 85 15.999400 -0.847600 5.2077E+00 2.7188E+00 -1.0315E+01 H1 86 1.008000 0.423800 5.5247E+00 3.0855E+00 -9.4406E+00 H2 87 1.008000 0.423800 4.2981E+00 2.3198E+00 -1.0199E+01 O6 88 15.999400 -0.847600 6.3276E+00 1.8807E+01 -6.8637E+00 H1 89 1.008000 0.423800 7.1227E+00 1.8941E+01 -6.2720E+00 H2 90 1.008000 0.423800 6.3367E+00 1.7876E+01 -7.2283E+00 O6 91 15.999400 -0.847600 -1.1887E+00 -1.1592E+00 -1.3951E-01 H1 92 1.008000 0.423800 -8.8526E-01 -9.4211E-01 -1.0673E+00 H2 93 1.008000 0.423800 -5.7506E-01 -7.2722E-01 5.2142E-01 O6 94 15.999400 -0.847600 -1.5557E+01 3.5338E+00 4.7120E+00 H1 95 1.008000 0.423800 -1.5343E+01 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-0.847600 1.1029E+01 5.3683E+00 7.5855E+00 H1 113 1.008000 0.423800 1.0695E+01 4.5194E+00 7.9952E+00 H2 114 1.008000 0.423800 1.0685E+01 6.1484E+00 8.1078E+00 O6 115 15.999400 -0.847600 -1.6816E+01 -1.4959E+01 -1.4011E+01 H1 116 1.008000 0.423800 -1.6368E+01 -1.4080E+01 -1.3849E+01 H2 117 1.008000 0.423800 -1.7800E+01 -1.4864E+01 -1.3857E+01 O6 118 15.999400 -0.847600 2.8665E+00 -2.8577E+00 9.9109E+00 H1 119 1.008000 0.423800 2.3987E+00 -2.0491E+00 1.0268E+01 H2 120 1.008000 0.423800 3.6419E+00 -2.5725E+00 9.3475E+00 O6 121 15.999400 -0.847600 -6.5376E-01 2.1435E+00 -1.8964E+00 H1 122 1.008000 0.423800 -4.3179E-01 1.2402E+00 -2.2636E+00 H2 123 1.008000 0.423800 -1.4036E+00 2.5427E+00 -2.4240E+00 O6 124 15.999400 -0.847600 1.2618E+01 1.3266E+01 -1.9015E+01 H1 125 1.008000 0.423800 1.3023E+01 1.3446E+01 1.9186E+01 H2 126 1.008000 0.423800 1.1997E+01 1.2485E+01 -1.9080E+01 O6 127 15.999400 -0.847600 1.7123E+01 1.5740E+01 -1.5805E+01 H1 128 1.008000 0.423800 1.6430E+01 1.5046E+01 -1.5611E+01 H2 129 1.008000 0.423800 1.7948E+01 1.5545E+01 -1.5274E+01 O6 130 15.999400 -0.847600 1.7525E+01 2.6951E+00 -1.2038E+01 H1 131 1.008000 0.423800 1.8327E+01 3.2832E+00 -1.2147E+01 H2 132 1.008000 0.423800 1.7694E+01 1.8158E+00 -1.2483E+01 O6 133 15.999400 -0.847600 -1.4564E+01 7.2242E+00 6.6550E+00 H1 134 1.008000 0.423800 -1.5291E+01 7.3496E+00 5.9805E+00 H2 135 1.008000 0.423800 -1.4842E+01 6.5304E+00 7.3195E+00 O6 136 15.999400 -0.847600 1.9363E+01 2.6099E+00 1.4219E+01 H1 137 1.008000 0.423800 -1.9340E+01 2.4028E+00 1.3324E+01 H2 138 1.008000 0.423800 -1.9022E+01 2.5507E+00 1.4919E+01 O6 139 15.999400 -0.847600 5.5692E+00 -1.5127E+01 -1.2806E+01 H1 140 1.008000 0.423800 5.4236E+00 -1.4519E+01 -1.2026E+01 H2 141 1.008000 0.423800 5.9752E+00 -1.4610E+01 -1.3560E+01 O6 142 15.999400 -0.847600 1.8136E+01 1.4634E+01 -2.6241E+00 H1 143 1.008000 0.423800 1.7812E+01 1.4694E+01 -1.6800E+00 H2 144 1.008000 0.423800 1.7354E+01 1.4542E+01 -3.2399E+00 O6 145 15.999400 -0.847600 -1.0963E+01 -1.6787E+01 8.3136E+00 H1 146 1.008000 0.423800 -1.1401E+01 -1.6315E+01 9.0787E+00 H2 147 1.008000 0.423800 -1.1149E+01 -1.7767E+01 8.3758E+00 O6 148 15.999400 -0.847600 -1.2071E+01 6.8630E+00 -3.4470E-02 H1 149 1.008000 0.423800 -1.1513E+01 7.5748E+00 -4.6194E-01 H2 150 1.008000 0.423800 -1.2995E+01 7.2113E+00 1.1905E-01 O6 151 15.999400 -0.847600 -1.6443E+01 -8.1983E+00 -1.9435E+00 H1 152 1.008000 0.423800 -1.7092E+01 -8.6786E+00 -1.3535E+00 H2 153 1.008000 0.423800 -1.6923E+01 -7.8389E+00 -2.7437E+00 O6 154 15.999400 -0.847600 1.3999E+01 9.9315E+00 -1.8247E+01 H1 155 1.008000 0.423800 1.4570E+01 9.4648E+00 -1.7571E+01 H2 156 1.008000 0.423800 1.4550E+01 1.0605E+01 -1.8739E+01 O6 157 15.999400 -0.847600 1.2720E+01 -1.6814E+00 -1.0916E+01 H1 158 1.008000 0.423800 1.3249E+01 -2.5154E+00 -1.1071E+01 H2 159 1.008000 0.423800 1.3283E+01 -8.8390E-01 -1.1131E+01 O6 160 15.999400 -0.847600 -1.2953E+01 6.7007E+00 -1.5282E+01 H1 161 1.008000 0.423800 -1.2177E+01 7.3294E+00 -1.5336E+01 H2 162 1.008000 0.423800 -1.2622E+01 5.7582E+00 -1.5327E+01 O6 163 15.999400 -0.847600 6.9242E+00 1.2843E+01 1.0807E+00 H1 164 1.008000 0.423800 6.0133E+00 1.2535E+01 1.3547E+00 H2 165 1.008000 0.423800 6.8455E+00 1.3460E+01 2.9705E-01 O6 166 15.999400 -0.847600 1.1445E+01 3.6675E+00 1.8541E+01 H1 167 1.008000 0.423800 1.2402E+01 3.7476E+00 1.8820E+01 H2 168 1.008000 0.423800 1.1238E+01 2.7122E+00 1.8330E+01 O6 169 15.999400 -0.847600 -5.5786E+00 1.4544E+01 9.0141E+00 H1 170 1.008000 0.423800 -6.4058E+00 1.4009E+01 9.1876E+00 H2 171 1.008000 0.423800 -5.6544E+00 1.4996E+01 8.1254E+00 O6 172 15.999400 -0.847600 -4.9704E-01 1.3560E+01 4.3637E+00 H1 173 1.008000 0.423800 -1.0082E+00 1.2702E+01 4.4102E+00 H2 174 1.008000 0.423800 -1.0072E+00 1.4222E+01 3.8150E+00 O6 175 15.999400 -0.847600 -9.3854E+00 1.8070E+01 -1.4111E+00 H1 176 1.008000 0.423800 -1.0079E+01 1.8418E+01 -2.0417E+00 H2 177 1.008000 0.423800 -9.7461E+00 1.8083E+01 -4.7850E-01 O6 178 15.999400 -0.847600 1.4789E+01 1.3640E+01 1.1546E+01 H1 179 1.008000 0.423800 1.4075E+01 1.3113E+01 1.1084E+01 H2 180 1.008000 0.423800 1.5544E+01 1.3033E+01 1.1792E+01 O6 181 15.999400 -0.847600 1.7943E+01 1.0562E+01 -9.6800E+00 H1 182 1.008000 0.423800 1.8912E+01 1.0721E+01 -9.4944E+00 H2 183 1.008000 0.423800 1.7803E+01 1.0472E+01 -1.0666E+01 O6 184 15.999400 -0.847600 -1.2299E+01 -1.8833E+00 1.6776E+01 H1 185 1.008000 0.423800 -1.2503E+01 -2.4117E+00 1.5952E+01 H2 186 1.008000 0.423800 -1.1483E+01 -1.3262E+00 1.6621E+01 O6 187 15.999400 -0.847600 3.5605E+00 1.7671E+01 8.3318E+00 H1 188 1.008000 0.423800 3.8886E+00 1.7053E+01 9.0466E+00 H2 189 1.008000 0.423800 2.5658E+00 1.7753E+01 8.3931E+00 O6 190 15.999400 -0.847600 -7.6148E+00 -1.0005E+01 1.7394E+01 H1 191 1.008000 0.423800 -8.3771E+00 -9.4381E+00 1.7707E+01 H2 192 1.008000 0.423800 -7.9511E+00 -1.0918E+01 1.7165E+01 O6 193 15.999400 -0.847600 -5.9682E+00 1.4388E+01 -1.5665E+01 H1 194 1.008000 0.423800 -5.7835E+00 1.3889E+01 -1.4818E+01 H2 195 1.008000 0.423800 -5.3451E+00 1.4072E+01 -1.6381E+01 O6 196 15.999400 -0.847600 -8.7459E+00 7.2818E+00 -5.7796E+00 H1 197 1.008000 0.423800 -9.5483E+00 6.7629E+00 -6.0746E+00 H2 198 1.008000 0.423800 -8.1088E+00 7.3738E+00 -6.5449E+00 O6 199 15.999400 -0.847600 -6.4795E+00 -1.2228E+01 -7.6740E+00 H1 200 1.008000 0.423800 -6.0904E+00 -1.1806E+01 -6.8553E+00 H2 201 1.008000 0.423800 -7.3956E+00 -1.2572E+01 -7.4682E+00 O6 202 15.999400 -0.847600 -1.2959E+01 -1.2278E+00 -4.0092E+00 H1 203 1.008000 0.423800 -1.3146E+01 -1.8189E+00 -3.2245E+00 H2 204 1.008000 0.423800 -1.2990E+01 -1.7694E+00 -4.8492E+00 O6 205 15.999400 -0.847600 1.4929E+01 -3.1412E+00 7.8548E+00 H1 206 1.008000 0.423800 1.4137E+01 -2.8568E+00 8.3947E+00 H2 207 1.008000 0.423800 1.5736E+01 -3.1835E+00 8.4440E+00 O6 208 15.999400 -0.847600 1.1173E+01 8.7707E+00 -1.2787E+01 H1 209 1.008000 0.423800 1.1804E+01 8.0442E+00 -1.2515E+01 H2 210 1.008000 0.423800 1.1622E+01 9.3732E+00 -1.3446E+01 O6 211 15.999400 -0.847600 9.6835E+00 -1.5493E+01 -9.0436E+00 H1 212 1.008000 0.423800 9.4864E+00 -1.5748E+01 -8.0967E+00 H2 213 1.008000 0.423800 1.0145E+01 -1.6252E+01 -9.5032E+00 O6 214 15.999400 -0.847600 -3.3234E+00 -4.2104E+00 -1.3102E+01 H1 215 1.008000 0.423800 -3.7493E+00 -5.0787E+00 -1.3357E+01 H2 216 1.008000 0.423800 -3.7114E+00 -3.8896E+00 -1.2238E+01 O6 217 15.999400 -0.847600 6.2591E+00 -9.6499E+00 3.3376E+00 H1 218 1.008000 0.423800 7.0334E+00 -9.0985E+00 3.6481E+00 H2 219 1.008000 0.423800 6.5774E+00 -1.0568E+01 3.1006E+00 O6 220 15.999400 -0.847600 1.8907E+00 -8.1983E+00 -1.3218E+00 H1 221 1.008000 0.423800 1.8706E+00 -9.0763E+00 -8.4364E-01 H2 222 1.008000 0.423800 1.7676E+00 -7.4568E+00 -6.6232E-01 O6 223 15.999400 -0.847600 1.6525E+01 -1.9248E+01 1.1923E+01 H1 224 1.008000 0.423800 1.6896E+01 1.9464E+01 1.2767E+01 H2 225 1.008000 0.423800 1.6052E+01 -1.8390E+01 1.2128E+01 O6 226 15.999400 -0.847600 -5.5247E+00 1.6597E+01 1.6923E+01 H1 227 1.008000 0.423800 -6.2486E+00 1.7173E+01 1.6542E+01 H2 228 1.008000 0.423800 -5.8386E+00 1.6191E+01 1.7781E+01 O6 229 15.999400 -0.847600 -3.7666E+00 4.7103E+00 -5.8948E+00 H1 230 1.008000 0.423800 -3.5592E+00 3.8496E+00 -6.3598E+00 H2 231 1.008000 0.423800 -4.6981E+00 4.9951E+00 -6.1208E+00 O6 232 15.999400 -0.847600 1.7303E+01 -1.8366E+00 -1.0091E+01 H1 233 1.008000 0.423800 1.6785E+01 -2.0027E+00 -1.0930E+01 H2 234 1.008000 0.423800 1.7256E+01 -8.6558E-01 -9.8569E+00 O6 235 15.999400 -0.847600 4.2350E+00 -9.9918E+00 1.6516E+00 H1 236 1.008000 0.423800 3.9755E+00 -9.1181E+00 1.2400E+00 H2 237 1.008000 0.423800 4.8831E+00 -9.8301E+00 2.3958E+00 O6 238 15.999400 -0.847600 1.0678E+01 -8.9936E+00 4.3633E-01 H1 239 1.008000 0.423800 1.1072E+01 -8.7663E+00 1.3273E+00 H2 240 1.008000 0.423800 1.1367E+01 -9.4545E+00 -1.2378E-01 O6 241 15.999400 -0.847600 1.8724E+01 -1.5743E-01 -1.2625E+01 H1 242 1.008000 0.423800 1.7876E+01 -6.8784E-01 -1.2628E+01 H2 243 1.008000 0.423800 1.9482E+01 -7.4127E-01 -1.2333E+01 O6 244 15.999400 -0.847600 -1.7651E+01 -9.4626E+00 5.0125E+00 H1 245 1.008000 0.423800 -1.6952E+01 -8.8303E+00 4.6797E+00 H2 246 1.008000 0.423800 -1.8094E+01 -9.0743E+00 5.8207E+00 O6 247 15.999400 -0.847600 -2.6357E-01 -1.0286E+01 2.2421E+00 H1 248 1.008000 0.423800 -4.4754E-01 -1.1243E+01 2.4665E+00 H2 249 1.008000 0.423800 4.2832E-01 -9.9238E+00 2.8670E+00 O6 250 15.999400 -0.847600 -1.7402E+01 1.6172E+01 -1.5921E+01 H1 251 1.008000 0.423800 -1.7977E+01 1.6596E+01 -1.6620E+01 H2 252 1.008000 0.423800 -1.6825E+01 1.5473E+01 -1.6342E+01 O6 253 15.999400 -0.847600 5.9325E+00 -1.7214E+00 -1.8569E+01 H1 254 1.008000 0.423800 6.4206E+00 -8.4855E-01 -1.8577E+01 H2 255 1.008000 0.423800 5.0459E+00 -1.6112E+00 -1.9018E+01 O6 256 15.999400 -0.847600 -5.2197E+00 8.9828E+00 -5.5952E-02 H1 257 1.008000 0.423800 -4.4253E+00 8.4486E+00 -3.4525E-01 H2 258 1.008000 0.423800 -5.3589E+00 8.8670E+00 9.2749E-01 O6 259 15.999400 -0.847600 -7.7327E+00 1.2450E+01 1.7778E+00 H1 260 1.008000 0.423800 -8.4001E+00 1.2159E+01 1.0922E+00 H2 261 1.008000 0.423800 -6.8114E+00 1.2385E+01 1.3946E+00 O6 262 15.999400 -0.847600 1.8604E+00 8.7231E-01 9.6887E+00 H1 263 1.008000 0.423800 2.3839E+00 5.7484E-01 1.0487E+01 H2 264 1.008000 0.423800 1.0057E+00 3.5564E-01 9.6393E+00 O6 265 15.999400 -0.847600 -1.7868E+01 3.4259E+00 -6.8489E+00 H1 266 1.008000 0.423800 -1.7951E+01 4.0738E+00 -7.6061E+00 H2 267 1.008000 0.423800 -1.6963E+01 3.5158E+00 -6.4318E+00 O6 268 15.999400 -0.847600 -5.2541E+00 8.4775E+00 1.2214E+01 H1 269 1.008000 0.423800 -5.8647E+00 9.2429E+00 1.2417E+01 H2 270 1.008000 0.423800 -5.3333E+00 7.7879E+00 1.2934E+01 O6 271 15.999400 -0.847600 5.2430E+00 -8.7139E-01 -1.4069E+01 H1 272 1.008000 0.423800 5.6382E+00 -2.3033E-01 -1.4727E+01 H2 273 1.008000 0.423800 5.2641E+00 -1.7956E+00 -1.4451E+01 O6 274 15.999400 -0.847600 -7.2086E+00 -1.4377E+01 5.3429E+00 H1 275 1.008000 0.423800 -8.0238E+00 -1.4466E+01 5.9152E+00 H2 276 1.008000 0.423800 -6.9822E+00 -1.5266E+01 4.9450E+00 O6 277 15.999400 -0.847600 1.2036E+01 5.1110E-01 1.7746E+01 H1 278 1.008000 0.423800 1.1679E+01 -4.2324E-01 1.7742E+01 H2 279 1.008000 0.423800 1.3035E+01 4.8654E-01 1.7732E+01 O6 280 15.999400 -0.847600 -7.5794E+00 9.6445E+00 1.4555E+01 H1 281 1.008000 0.423800 -7.1737E+00 9.7910E+00 1.5457E+01 H2 282 1.008000 0.423800 -8.3852E+00 9.0590E+00 1.4643E+01 O6 283 15.999400 -0.847600 1.1739E+01 -1.2486E+00 1.2768E+01 H1 284 1.008000 0.423800 1.2131E+01 -2.1573E+00 1.2624E+01 H2 285 1.008000 0.423800 1.0804E+01 -1.2295E+00 1.2415E+01 O6 286 15.999400 -0.847600 -6.2101E+00 -1.1465E+01 -1.5794E+01 H1 287 1.008000 0.423800 -6.3336E+00 -1.1028E+01 -1.6685E+01 H2 288 1.008000 0.423800 -6.9255E+00 -1.1155E+01 -1.5168E+01 O6 289 15.999400 -0.847600 -1.4894E+01 -1.1283E+01 -5.5903E+00 H1 290 1.008000 0.423800 -1.4275E+01 -1.0884E+01 -4.9139E+00 H2 291 1.008000 0.423800 -1.5103E+01 -1.0602E+01 -6.2927E+00 O6 292 15.999400 -0.847600 -9.9195E+00 -2.3636E+00 -3.6274E+00 H1 293 1.008000 0.423800 -1.0632E+01 -2.1455E+00 -4.2940E+00 H2 294 1.008000 0.423800 -9.0805E+00 -1.8738E+00 -3.8644E+00 O6 295 15.999400 -0.847600 1.9457E+01 5.3620E+00 -3.8784E+00 H1 296 1.008000 0.423800 1.9201E+01 4.7482E+00 -4.6252E+00 H2 297 1.008000 0.423800 1.9369E+01 6.3108E+00 -4.1816E+00 O6 298 15.999400 -0.847600 5.0490E+00 6.4244E+00 -1.8482E+01 H1 299 1.008000 0.423800 4.4038E+00 7.1740E+00 -1.8631E+01 H2 300 1.008000 0.423800 4.6158E+00 5.5579E+00 -1.8730E+01 O6 301 15.999400 -0.847600 -5.1968E-01 -1.0679E+01 -1.4566E+01 H1 302 1.008000 0.423800 2.9396E-01 -1.0111E+01 -1.4690E+01 H2 303 1.008000 0.423800 -3.4278E-01 -1.1597E+01 -1.4922E+01 O6 304 15.999400 -0.847600 2.8106E+00 2.6137E+00 -2.8887E+00 H1 305 1.008000 0.423800 1.9684E+00 2.9858E+00 -3.2788E+00 H2 306 1.008000 0.423800 3.2406E+00 3.3030E+00 -2.3056E+00 O6 307 15.999400 -0.847600 1.2930E+01 1.8321E+01 -1.0727E+01 H1 308 1.008000 0.423800 1.3826E+01 1.8325E+01 -1.1170E+01 H2 309 1.008000 0.423800 1.2238E+01 1.8007E+01 -1.1378E+01 O6 310 15.999400 -0.847600 8.3019E+00 -9.6472E+00 -4.7210E+00 H1 311 1.008000 0.423800 9.1145E+00 -1.0115E+01 -4.3724E+00 H2 312 1.008000 0.423800 8.1555E+00 -8.8035E+00 -4.2046E+00 O6 313 15.999400 -0.847600 -1.1365E+01 -1.4366E+00 5.0325E+00 H1 314 1.008000 0.423800 -1.0922E+01 -1.8619E+00 5.8217E+00 H2 315 1.008000 0.423800 -1.2138E+01 -8.8399E-01 5.3422E+00 O6 316 15.999400 -0.847600 -1.2110E+01 1.5677E+01 -2.4765E+00 H1 317 1.008000 0.423800 -1.2185E+01 1.4681E+01 -2.4152E+00 H2 318 1.008000 0.423800 -1.1324E+01 1.5985E+01 -1.9403E+00 O6 319 15.999400 -0.847600 -1.8517E+01 -6.5343E+00 1.6581E+01 H1 320 1.008000 0.423800 -1.8431E+01 -5.8836E+00 1.5826E+01 H2 321 1.008000 0.423800 -1.8613E+01 -7.4594E+00 1.6214E+01 O6 322 15.999400 -0.847600 -1.8247E+01 -1.8930E+01 -1.7329E+01 H1 323 1.008000 0.423800 -1.8191E+01 -1.7987E+01 -1.7658E+01 H2 324 1.008000 0.423800 -1.8664E+01 -1.8942E+01 -1.6420E+01 O6 325 15.999400 -0.847600 -2.1441E+00 -1.2352E+01 -1.2105E+01 H1 326 1.008000 0.423800 -1.4641E+00 -1.2212E+01 -1.2825E+01 H2 327 1.008000 0.423800 -2.4217E+00 -1.3313E+01 -1.2092E+01 O6 328 15.999400 -0.847600 -4.1271E+00 1.8295E+01 -8.4094E+00 H1 329 1.008000 0.423800 -4.1792E+00 1.9265E+01 -8.1704E+00 H2 330 1.008000 0.423800 -3.1808E+00 1.8056E+01 -8.6266E+00 O6 331 15.999400 -0.847600 -1.1431E+01 3.8262E+00 -4.9174E+00 H1 332 1.008000 0.423800 -1.1923E+01 2.9557E+00 -4.9390E+00 H2 333 1.008000 0.423800 -1.1788E+01 4.3922E+00 -4.1744E+00 O6 334 15.999400 -0.847600 -1.7888E+01 -1.6532E+01 -1.8497E+01 H1 335 1.008000 0.423800 -1.7409E+01 -1.5866E+01 -1.7925E+01 H2 336 1.008000 0.423800 -1.8152E+01 -1.6102E+01 -1.9360E+01 O6 337 15.999400 -0.847600 -1.8366E+00 -5.9898E+00 1.0608E+01 H1 338 1.008000 0.423800 -1.5280E+00 -5.7723E+00 9.6821E+00 H2 339 1.008000 0.423800 -2.7910E+00 -6.2869E+00 1.0580E+01 O6 340 15.999400 -0.847600 3.1791E+00 -2.6376E-01 1.1845E+01 H1 341 1.008000 0.423800 2.8669E+00 -9.5713E-01 1.2495E+01 H2 342 1.008000 0.423800 3.4568E+00 5.5797E-01 1.2343E+01 O6 343 15.999400 -0.847600 3.7264E+00 1.6535E+01 -7.5542E-01 H1 344 1.008000 0.423800 4.3636E+00 1.6278E+01 -2.8931E-02 H2 345 1.008000 0.423800 4.2347E+00 1.6706E+01 -1.5995E+00 O6 346 15.999400 -0.847600 1.2302E+01 -6.9688E+00 -6.6883E+00 H1 347 1.008000 0.423800 1.2794E+01 -6.8191E+00 -7.5461E+00 H2 348 1.008000 0.423800 1.1386E+01 -6.5731E+00 -6.7557E+00 O6 349 15.999400 -0.847600 9.6305E-01 -1.1864E+01 1.5837E+01 H1 350 1.008000 0.423800 8.5082E-01 -1.1132E+01 1.6509E+01 H2 351 1.008000 0.423800 1.0046E+00 -1.1470E+01 1.4919E+01 O6 352 15.999400 -0.847600 -1.6358E+01 -1.7212E+01 1.2195E+01 H1 353 1.008000 0.423800 -1.7282E+01 -1.6833E+01 1.2250E+01 H2 354 1.008000 0.423800 -1.6368E+01 -1.8161E+01 1.2510E+01 O6 355 15.999400 -0.847600 1.1268E+00 -6.8445E+00 -3.5662E+00 H1 356 1.008000 0.423800 1.5935E+00 -7.3547E+00 -2.8437E+00 H2 357 1.008000 0.423800 3.7889E-01 -7.3969E+00 -3.9344E+00 O6 358 15.999400 -0.847600 1.6698E+01 -6.9487E+00 -3.2379E+00 H1 359 1.008000 0.423800 1.7244E+01 -7.7436E+00 -2.9735E+00 H2 360 1.008000 0.423800 1.7259E+01 -6.1233E+00 -3.1754E+00 O6 361 15.999400 -0.847600 -1.0181E+01 -9.1790E+00 6.2110E+00 H1 362 1.008000 0.423800 -1.0946E+01 -9.2738E+00 5.5745E+00 H2 363 1.008000 0.423800 -9.6571E+00 -1.0031E+01 6.2317E+00 O6 364 15.999400 -0.847600 7.3856E+00 1.0233E+00 -5.4681E+00 H1 365 1.008000 0.423800 7.3643E+00 1.2640E+00 -6.4385E+00 H2 366 1.008000 0.423800 8.2817E+00 6.4340E-01 -5.2386E+00 O6 367 15.999400 -0.847600 8.9232E+00 -1.2078E+01 -6.1780E+00 H1 368 1.008000 0.423800 8.0471E+00 -1.2056E+01 -5.6963E+00 H2 369 1.008000 0.423800 9.4895E+00 -1.2814E+01 -5.8077E+00 O6 370 15.999400 -0.847600 1.8947E+01 9.5904E+00 -6.2617E+00 H1 371 1.008000 0.423800 1.9110E+01 8.9345E+00 -6.9988E+00 H2 372 1.008000 0.423800 1.8013E+01 9.9404E+00 -6.3275E+00 O6 373 15.999400 -0.847600 7.0369E+00 -8.6386E+00 -6.9385E+00 H1 374 1.008000 0.423800 7.6892E+00 -9.0457E+00 -6.2991E+00 H2 375 1.008000 0.423800 6.1499E+00 -8.5346E+00 -6.4886E+00 O6 376 15.999400 -0.847600 -1.1402E+01 -1.9468E+01 8.7497E+00 H1 377 1.008000 0.423800 -1.1035E+01 1.8699E+01 8.7287E+00 H2 378 1.008000 0.423800 -1.2330E+01 -1.9485E+01 9.1231E+00 O6 379 15.999400 -0.847600 -9.7172E+00 -2.2865E+00 1.4531E+01 H1 380 1.008000 0.423800 -1.0651E+01 -2.5437E+00 1.4282E+01 H2 381 1.008000 0.423800 -9.3498E+00 -1.6595E+00 1.3844E+01 O6 382 15.999400 -0.847600 8.9054E+00 -1.5193E+01 -1.4791E+01 H1 383 1.008000 0.423800 8.3439E+00 -1.4426E+01 -1.5102E+01 H2 384 1.008000 0.423800 9.8210E+00 -1.5117E+01 -1.5186E+01 O6 385 15.999400 -0.847600 -4.0454E+00 -1.5754E+01 -1.4561E+00 H1 386 1.008000 0.423800 -3.5335E+00 -1.5443E+01 -2.2570E+00 H2 387 1.008000 0.423800 -3.7510E+00 -1.6677E+01 -1.2098E+00 O6 388 15.999400 -0.847600 -1.7246E+01 1.7956E+01 8.9537E-01 H1 389 1.008000 0.423800 -1.7161E+01 1.8677E+01 1.5832E+00 H2 390 1.008000 0.423800 -1.6336E+01 1.7641E+01 6.2777E-01 O6 391 15.999400 -0.847600 -8.4708E+00 4.6927E+00 -1.8683E+01 H1 392 1.008000 0.423800 -7.6066E+00 4.5695E+00 -1.8195E+01 H2 393 1.008000 0.423800 -8.9949E+00 3.8416E+00 -1.8652E+01 O6 394 15.999400 -0.847600 -5.1710E+00 -1.8901E+00 -1.6825E+01 H1 395 1.008000 0.423800 -5.4121E+00 -2.6462E+00 -1.7434E+01 H2 396 1.008000 0.423800 -4.2540E+00 -2.0396E+00 -1.6455E+01 O6 397 15.999400 -0.847600 1.0877E+01 -1.6082E+01 -1.7285E+01 H1 398 1.008000 0.423800 9.9154E+00 -1.6202E+01 -1.7534E+01 H2 399 1.008000 0.423800 1.0970E+01 -1.5284E+01 -1.6691E+01 O6 400 15.999400 -0.847600 -1.8108E+01 -1.0046E+01 -6.5101E-01 H1 401 1.008000 0.423800 -1.8832E+01 -1.0045E+01 3.8240E-02 H2 402 1.008000 0.423800 -1.8020E+01 -1.0962E+01 -1.0420E+00 O6 403 15.999400 -0.847600 8.8929E-01 9.1462E+00 1.2219E+01 H1 404 1.008000 0.423800 4.0424E-01 9.7840E+00 1.1620E+01 H2 405 1.008000 0.423800 1.5038E+00 9.6558E+00 1.2821E+01 O6 406 15.999400 -0.847600 -1.2555E+01 -1.9324E+01 -4.8245E+00 H1 407 1.008000 0.423800 -1.3507E+01 -1.9021E+01 -4.8473E+00 H2 408 1.008000 0.423800 -1.2011E+01 -1.8762E+01 -5.4471E+00 O6 409 15.999400 -0.847600 -1.2498E+01 -1.8720E+01 5.8369E+00 H1 410 1.008000 0.423800 -1.2482E+01 1.9462E+01 6.2387E+00 H2 411 1.008000 0.423800 -1.1602E+01 -1.8511E+01 5.4457E+00 O6 412 15.999400 -0.847600 1.2443E+01 -1.4040E+01 1.6852E+01 H1 413 1.008000 0.423800 1.2643E+01 -1.4023E+01 1.5872E+01 H2 414 1.008000 0.423800 1.2102E+01 -1.4946E+01 1.7106E+01 O6 415 15.999400 -0.847600 -8.8690E+00 3.4223E+00 -4.0121E+00 H1 416 1.008000 0.423800 -8.7824E+00 4.0829E+00 -3.2663E+00 H2 417 1.008000 0.423800 -9.7379E+00 3.5664E+00 -4.4856E+00 O6 418 15.999400 -0.847600 -1.1034E+01 -4.1930E+00 1.1248E+01 H1 419 1.008000 0.423800 -1.0545E+01 -3.3210E+00 1.1247E+01 H2 420 1.008000 0.423800 -1.0383E+01 -4.9413E+00 1.1125E+01 O6 421 15.999400 -0.847600 1.3146E+01 -1.7761E+01 -8.3443E+00 H1 422 1.008000 0.423800 1.2217E+01 -1.7834E+01 -8.7062E+00 H2 423 1.008000 0.423800 1.3152E+01 -1.8035E+01 -7.3827E+00 O6 424 15.999400 -0.847600 7.2488E+00 1.4111E+01 4.0026E+00 H1 425 1.008000 0.423800 7.0371E+00 1.4156E+01 3.0263E+00 H2 426 1.008000 0.423800 7.4488E+00 1.5030E+01 4.3426E+00 O6 427 15.999400 -0.847600 1.8364E+01 -1.3086E+01 -1.2967E+00 H1 428 1.008000 0.423800 1.8715E+01 -1.3678E+01 -5.7145E-01 H2 429 1.008000 0.423800 1.7508E+01 -1.3463E+01 -1.6497E+00 O6 430 15.999400 -0.847600 4.3942E+00 -2.8752E+00 9.6137E-01 H1 431 1.008000 0.423800 4.6966E+00 -3.4203E+00 1.7941E-01 H2 432 1.008000 0.423800 3.4039E+00 -2.9646E+00 1.0669E+00 O6 433 15.999400 -0.847600 -1.9077E+01 -1.4601E+00 -6.2650E+00 H1 434 1.008000 0.423800 1.9448E+01 -6.8181E-01 -6.5231E+00 H2 435 1.008000 0.423800 -1.8126E+01 -1.1612E+00 -6.1809E+00 O6 436 15.999400 -0.847600 -1.0209E+01 -1.3711E+01 6.4440E-03 H1 437 1.008000 0.423800 -1.0765E+01 -1.4513E+01 2.2618E-01 H2 438 1.008000 0.423800 -1.0393E+01 -1.3427E+01 -9.3450E-01 O6 439 15.999400 -0.847600 2.5541E+00 -1.0039E+01 -3.5972E+00 H1 440 1.008000 0.423800 2.8793E+00 -1.0805E+01 -3.0425E+00 H2 441 1.008000 0.423800 2.4095E+00 -9.2409E+00 -3.0119E+00 O6 442 15.999400 -0.847600 1.3612E+01 -1.8813E+01 1.2871E+01 H1 443 1.008000 0.423800 1.3491E+01 -1.8659E+01 1.1890E+01 H2 444 1.008000 0.423800 1.2722E+01 -1.8983E+01 1.3294E+01 O6 445 15.999400 -0.847600 -1.0659E+01 -1.8435E+01 1.6768E+00 H1 446 1.008000 0.423800 -1.0897E+01 -1.8298E+01 7.1523E-01 H2 447 1.008000 0.423800 -1.0786E+01 -1.7579E+01 2.1770E+00 O6 448 15.999400 -0.847600 1.7266E+01 -1.7052E+01 5.3137E+00 H1 449 1.008000 0.423800 1.7285E+01 -1.6053E+01 5.2686E+00 H2 450 1.008000 0.423800 1.6364E+01 -1.7381E+01 5.0340E+00 O6 451 15.999400 -0.847600 1.8259E+00 1.6070E+01 4.3462E+00 H1 452 1.008000 0.423800 1.4379E+00 1.5199E+01 4.6472E+00 H2 453 1.008000 0.423800 1.2989E+00 1.6420E+01 3.5716E+00 O6 454 15.999400 -0.847600 2.9656E+00 8.2562E+00 -1.9005E+01 H1 455 1.008000 0.423800 3.6236E+00 8.9884E+00 -1.8828E+01 H2 456 1.008000 0.423800 2.2624E+00 8.2620E+00 -1.8294E+01 O6 457 15.999400 -0.847600 5.0181E-01 -1.4440E+01 1.4254E+01 H1 458 1.008000 0.423800 3.6392E-01 -1.4257E+01 1.3280E+01 H2 459 1.008000 0.423800 7.8091E-01 -1.3597E+01 1.4714E+01 O6 460 15.999400 -0.847600 8.0821E+00 -1.0614E+01 9.9369E-02 H1 461 1.008000 0.423800 8.6996E+00 -9.8323E+00 1.8788E-01 H2 462 1.008000 0.423800 7.2291E+00 -1.0318E+01 -3.3040E-01 O6 463 15.999400 -0.847600 5.5672E+00 5.3789E+00 -1.1262E+00 H1 464 1.008000 0.423800 6.0325E+00 4.8684E+00 -1.8494E+00 H2 465 1.008000 0.423800 5.8061E+00 6.3475E+00 -1.1955E+00 O6 466 15.999400 -0.847600 1.8977E+01 -4.2968E+00 4.0909E+00 H1 467 1.008000 0.423800 1.9406E+01 -4.4609E+00 4.9792E+00 H2 468 1.008000 0.423800 1.9162E+01 -3.3580E+00 3.8000E+00 O6 469 15.999400 -0.847600 -1.5297E+01 9.4936E+00 -4.8526E+00 H1 470 1.008000 0.423800 -1.5971E+01 8.7812E+00 -4.6589E+00 H2 471 1.008000 0.423800 -1.5366E+01 1.0214E+01 -4.1626E+00 O6 472 15.999400 -0.847600 -1.5317E+01 -4.0709E+00 2.6967E+00 H1 473 1.008000 0.423800 -1.5234E+01 -4.5268E+00 1.8105E+00 H2 474 1.008000 0.423800 -1.4430E+01 -4.0757E+00 3.1583E+00 O6 475 15.999400 -0.847600 8.1366E+00 8.4178E+00 1.6330E+00 H1 476 1.008000 0.423800 9.0828E+00 8.3754E+00 1.3121E+00 H2 477 1.008000 0.423800 8.0179E+00 9.2218E+00 2.2155E+00 O6 478 15.999400 -0.847600 1.4802E+01 -6.1454E+00 4.4683E+00 H1 479 1.008000 0.423800 1.4294E+01 -5.6759E+00 3.7462E+00 H2 480 1.008000 0.423800 1.4242E+01 -6.8829E+00 4.8448E+00 O6 481 15.999400 -0.847600 -1.8453E+01 1.9257E+01 -1.3580E+00 H1 482 1.008000 0.423800 -1.8384E+01 1.8685E+01 -5.4013E-01 H2 483 1.008000 0.423800 -1.7629E+01 1.9144E+01 -1.9138E+00 O6 484 15.999400 -0.847600 1.1243E+01 4.4159E+00 -1.1942E+01 H1 485 1.008000 0.423800 1.0437E+01 4.5623E+00 -1.2516E+01 H2 486 1.008000 0.423800 1.1082E+01 4.8063E+00 -1.1036E+01 O6 487 15.999400 -0.847600 -7.9869E+00 -3.9507E+00 1.3621E+00 H1 488 1.008000 0.423800 -7.8048E+00 -4.2712E+00 4.3247E-01 H2 489 1.008000 0.423800 -7.7360E+00 -2.9857E+00 1.4371E+00 O6 490 15.999400 -0.847600 -1.4224E+01 1.8804E+01 -1.2698E+01 H1 491 1.008000 0.423800 -1.4724E+01 1.8070E+01 -1.3157E+01 H2 492 1.008000 0.423800 -1.3701E+01 1.8425E+01 -1.1934E+01 O6 493 15.999400 -0.847600 -1.6317E+01 -7.5058E+00 -1.3596E+01 H1 494 1.008000 0.423800 -1.6817E+01 -7.0264E+00 -1.2875E+01 H2 495 1.008000 0.423800 -1.5372E+01 -7.6567E+00 -1.3303E+01 O6 496 15.999400 -0.847600 -1.7799E+01 6.8217E-01 -2.5359E+00 H1 497 1.008000 0.423800 -1.7575E+01 9.8111E-01 -1.6082E+00 H2 498 1.008000 0.423800 -1.6968E+01 3.6343E-01 -2.9929E+00 O6 499 15.999400 -0.847600 -8.4117E+00 1.3466E+01 -1.6396E+01 H1 500 1.008000 0.423800 -9.1311E+00 1.4159E+01 -1.6451E+01 H2 501 1.008000 0.423800 -7.5174E+00 1.3913E+01 -1.6403E+01 O6 502 15.999400 -0.847600 1.2804E+01 8.6101E+00 6.5562E+00 H1 503 1.008000 0.423800 1.1968E+01 8.5174E+00 6.0155E+00 H2 504 1.008000 0.423800 1.3597E+01 8.4176E+00 5.9786E+00 O6 505 15.999400 -0.847600 -6.7362E+00 -1.1626E+00 3.7190E+00 H1 506 1.008000 0.423800 -7.7048E+00 -1.1692E+00 3.4704E+00 H2 507 1.008000 0.423800 -6.2007E+00 -7.8607E-01 2.9630E+00 O6 508 15.999400 -0.847600 1.3561E+01 1.2952E+01 7.0427E+00 H1 509 1.008000 0.423800 1.2789E+01 1.2344E+01 7.2284E+00 H2 510 1.008000 0.423800 1.4214E+01 1.2489E+01 6.4437E+00 O6 511 15.999400 -0.847600 5.6290E-01 -1.8229E+01 4.2169E+00 H1 512 1.008000 0.423800 1.5305E+00 -1.8390E+01 4.0224E+00 H2 513 1.008000 0.423800 4.2991E-01 -1.8152E+01 5.2049E+00 O6 514 15.999400 -0.847600 1.9330E+01 1.5394E+01 1.1064E+01 H1 515 1.008000 0.423800 -1.9266E+01 1.6190E+01 1.0724E+01 H2 516 1.008000 0.423800 1.9400E+01 1.4648E+01 1.0402E+01 O6 517 15.999400 -0.847600 1.2829E+01 -1.8325E+01 4.8040E+00 H1 518 1.008000 0.423800 1.2370E+01 -1.8592E+01 5.6511E+00 H2 519 1.008000 0.423800 1.2249E+01 -1.8556E+01 4.0230E+00 O6 520 15.999400 -0.847600 1.6764E+01 1.1076E+01 -7.1957E+00 H1 521 1.008000 0.423800 1.6040E+01 1.0468E+01 -6.8687E+00 H2 522 1.008000 0.423800 1.6982E+01 1.0853E+01 -8.1456E+00 O6 523 15.999400 -0.847600 -1.3791E+01 1.4617E+01 1.1019E+01 H1 524 1.008000 0.423800 -1.3927E+01 1.5485E+01 1.1497E+01 H2 525 1.008000 0.423800 -1.4663E+01 1.4303E+01 1.0644E+01 O6 526 15.999400 -0.847600 9.1570E+00 -9.7528E-01 1.1788E+01 H1 527 1.008000 0.423800 8.7526E+00 -1.1873E-01 1.1467E+01 H2 528 1.008000 0.423800 8.4790E+00 -1.4870E+00 1.2315E+01 O6 529 15.999400 -0.847600 -5.2158E+00 1.8971E+01 4.3252E+00 H1 530 1.008000 0.423800 -4.4529E+00 -1.9521E+01 4.5519E+00 H2 531 1.008000 0.423800 -4.9434E+00 1.8021E+01 4.4763E+00 O6 532 15.999400 -0.847600 7.3936E+00 6.6104E+00 -6.7551E+00 H1 533 1.008000 0.423800 6.9393E+00 6.4375E+00 -7.6290E+00 H2 534 1.008000 0.423800 6.9867E+00 6.0322E+00 -6.0479E+00 O6 535 15.999400 -0.847600 -1.2413E+01 1.1415E+01 1.6870E+01 H1 536 1.008000 0.423800 -1.3387E+01 1.1586E+01 1.7013E+01 H2 537 1.008000 0.423800 -1.1890E+01 1.2226E+01 1.7133E+01 O6 538 15.999400 -0.847600 4.7407E+00 -8.1754E+00 -2.0070E+00 H1 539 1.008000 0.423800 4.1646E+00 -7.6540E+00 -1.3775E+00 H2 540 1.008000 0.423800 5.0983E+00 -8.9838E+00 -1.5396E+00 O6 541 15.999400 -0.847600 7.7643E+00 1.0997E+01 2.7905E+00 H1 542 1.008000 0.423800 7.2525E+00 1.1291E+01 3.5976E+00 H2 543 1.008000 0.423800 7.3587E+00 1.1403E+01 1.9720E+00 O6 544 15.999400 -0.847600 1.7998E+01 -7.5241E+00 1.2491E+01 H1 545 1.008000 0.423800 1.7272E+01 -7.1814E+00 1.3087E+01 H2 546 1.008000 0.423800 1.8581E+01 -8.1544E+00 1.3004E+01 O6 547 15.999400 -0.847600 1.6821E+01 1.2028E+01 -4.1841E+00 H1 548 1.008000 0.423800 1.7307E+01 1.1235E+01 -3.8154E+00 H2 549 1.008000 0.423800 1.6867E+01 1.2012E+01 -5.1829E+00 O6 550 15.999400 -0.847600 -7.6115E+00 -8.0656E+00 6.9062E+00 H1 551 1.008000 0.423800 -8.5142E+00 -8.4187E+00 6.6603E+00 H2 552 1.008000 0.423800 -7.1260E+00 -7.7863E+00 6.0778E+00 O6 553 15.999400 -0.847600 1.4547E+01 -4.2506E+00 2.5339E+00 H1 554 1.008000 0.423800 1.4619E+01 -3.3699E+00 3.0022E+00 H2 555 1.008000 0.423800 1.5354E+01 -4.3894E+00 1.9595E+00 O6 556 15.999400 -0.847600 1.3304E+01 9.8353E+00 9.6461E-01 H1 557 1.008000 0.423800 1.3582E+01 9.6174E+00 2.9058E-02 H2 558 1.008000 0.423800 1.3852E+01 9.3004E+00 1.6081E+00 O6 559 15.999400 -0.847600 -2.5662E+00 -1.1442E+01 -9.7577E-01 H1 560 1.008000 0.423800 -3.3078E+00 -1.2091E+01 -1.1482E+00 H2 561 1.008000 0.423800 -2.7585E+00 -1.0931E+01 -1.3807E-01 O6 562 15.999400 -0.847600 -3.3055E+00 5.2086E+00 1.6752E+01 H1 563 1.008000 0.423800 -2.6963E+00 5.4620E+00 1.6001E+01 H2 564 1.008000 0.423800 -3.0375E+00 4.3146E+00 1.7111E+01 O6 565 15.999400 -0.847600 -1.3699E+01 1.3720E+01 -1.0856E+01 H1 566 1.008000 0.423800 -1.4575E+01 1.3263E+01 -1.1008E+01 H2 567 1.008000 0.423800 -1.3024E+01 1.3373E+01 -1.1507E+01 O6 568 15.999400 -0.847600 2.3057E+00 -1.6870E+01 -1.6720E+00 H1 569 1.008000 0.423800 1.5356E+00 -1.7236E+01 -2.1950E+00 H2 570 1.008000 0.423800 3.1527E+00 -1.7305E+01 -1.9782E+00 O6 571 15.999400 -0.847600 -1.0413E+01 1.4166E+01 -5.8519E-01 H1 572 1.008000 0.423800 -1.1124E+01 1.3934E+01 -1.2490E+00 H2 573 1.008000 0.423800 -9.8902E+00 1.3345E+01 -3.5619E-01 O6 574 15.999400 -0.847600 1.1531E+01 1.4365E+01 -4.5964E+00 H1 575 1.008000 0.423800 1.0727E+01 1.4292E+01 -4.0060E+00 H2 576 1.008000 0.423800 1.1244E+01 1.4347E+01 -5.5541E+00 O6 577 15.999400 -0.847600 1.1994E+01 1.5306E+01 1.7858E+01 H1 578 1.008000 0.423800 1.2046E+01 1.6121E+01 1.8436E+01 H2 579 1.008000 0.423800 1.2770E+01 1.5295E+01 1.7228E+01 O6 580 15.999400 -0.847600 1.9234E+01 -5.8183E+00 -8.2060E-01 H1 581 1.008000 0.423800 1.8787E+01 -5.7701E+00 -1.7138E+00 H2 582 1.008000 0.423800 1.8612E+01 -6.2346E+00 -1.5817E-01 O6 583 15.999400 -0.847600 -1.9312E+01 -1.6094E+01 1.0078E+01 H1 584 1.008000 0.423800 1.9125E+01 -1.5543E+01 9.5674E+00 H2 585 1.008000 0.423800 1.9449E+01 -1.7033E+01 1.0152E+01 O6 586 15.999400 -0.847600 -5.4447E+00 1.7642E+01 -1.7091E+00 H1 587 1.008000 0.423800 -6.1347E+00 1.7066E+01 -2.1469E+00 H2 588 1.008000 0.423800 -5.7532E+00 1.8593E+01 -1.7141E+00 O6 589 15.999400 -0.847600 1.8493E+01 -2.8614E+00 -1.4632E+01 H1 590 1.008000 0.423800 1.8348E+01 -3.0960E+00 -1.5593E+01 H2 591 1.008000 0.423800 1.9314E+01 -2.2974E+00 -1.4547E+01 O6 592 15.999400 -0.847600 -6.3439E+00 1.5575E+01 -1.9268E+01 H1 593 1.008000 0.423800 -6.5273E+00 1.4719E+01 1.9345E+01 H2 594 1.008000 0.423800 -5.3577E+00 1.5681E+01 -1.9142E+01 O6 595 15.999400 -0.847600 1.3513E+01 -2.4955E+00 -1.8426E+01 H1 596 1.008000 0.423800 1.3736E+01 -2.8395E+00 -1.9338E+01 H2 597 1.008000 0.423800 1.2780E+01 -3.0498E+00 -1.8031E+01 O6 598 15.999400 -0.847600 -3.2674E-01 1.5247E+01 -3.8522E+00 H1 599 1.008000 0.423800 -1.3040E-01 1.4305E+01 -4.1253E+00 H2 600 1.008000 0.423800 -7.6153E-01 1.5731E+01 -4.6119E+00 O6 601 15.999400 -0.847600 -6.9943E+00 1.8308E+01 1.2285E+00 H1 602 1.008000 0.423800 -6.0689E+00 1.8019E+01 9.8237E-01 H2 603 1.008000 0.423800 -7.5455E+00 1.7504E+01 1.4517E+00 O6 604 15.999400 -0.847600 1.4395E+01 1.0641E+01 -1.1259E+01 H1 605 1.008000 0.423800 1.3692E+01 1.0462E+01 -1.0571E+01 H2 606 1.008000 0.423800 1.3959E+01 1.0872E+01 -1.2129E+01 O6 607 15.999400 -0.847600 1.4327E+01 1.5189E+01 7.8926E+00 H1 608 1.008000 0.423800 1.3784E+01 1.5248E+01 8.7307E+00 H2 609 1.008000 0.423800 1.4149E+01 1.4315E+01 7.4412E+00 O6 610 15.999400 -0.847600 -9.9776E+00 -5.5444E+00 -1.2011E+01 H1 611 1.008000 0.423800 -9.7871E+00 -5.4260E+00 -1.1037E+01 H2 612 1.008000 0.423800 -1.0900E+01 -5.9124E+00 -1.2128E+01 O6 613 15.999400 -0.847600 4.7701E+00 1.7011E+01 -1.0241E+01 H1 614 1.008000 0.423800 4.2409E+00 1.6169E+01 -1.0348E+01 H2 615 1.008000 0.423800 5.2819E+00 1.7191E+01 -1.1081E+01 O6 616 15.999400 -0.847600 7.6596E-01 -9.5612E+00 -8.0080E+00 H1 617 1.008000 0.423800 -1.1878E-01 -1.0000E+01 -8.1646E+00 H2 618 1.008000 0.423800 6.4611E-01 -8.5687E+00 -7.9852E+00 O6 619 15.999400 -0.847600 -8.8396E+00 -1.1816E+01 3.7644E+00 H1 620 1.008000 0.423800 -9.0656E+00 -1.1924E+01 4.7326E+00 H2 621 1.008000 0.423800 -8.0213E+00 -1.2350E+01 3.5517E+00 O6 622 15.999400 -0.847600 8.2086E+00 2.0280E+00 1.6939E+01 H1 623 1.008000 0.423800 7.6098E+00 2.7725E+00 1.7235E+01 H2 624 1.008000 0.423800 8.8592E+00 1.8144E+00 1.7668E+01 O6 625 15.999400 -0.847600 5.5549E+00 6.0347E+00 1.8769E+00 H1 626 1.008000 0.423800 6.4735E+00 6.1096E+00 2.2649E+00 H2 627 1.008000 0.423800 5.5469E+00 6.4335E+00 9.5987E-01 O6 628 15.999400 -0.847600 1.1093E+01 1.5947E+01 -1.1435E+01 H1 629 1.008000 0.423800 1.1720E+01 1.5799E+01 -1.0670E+01 H2 630 1.008000 0.423800 1.1561E+01 1.6462E+01 -1.2154E+01 O6 631 15.999400 -0.847600 6.3156E+00 -4.8495E+00 1.4055E+01 H1 632 1.008000 0.423800 5.3318E+00 -4.7289E+00 1.3923E+01 H2 633 1.008000 0.423800 6.7207E+00 -5.2234E+00 1.3221E+01 O6 634 15.999400 -0.847600 -1.5457E+01 -9.1905E+00 -1.7470E+01 H1 635 1.008000 0.423800 -1.6296E+01 -9.6934E+00 -1.7264E+01 H2 636 1.008000 0.423800 -1.4665E+01 -9.7392E+00 -1.7201E+01 O6 637 15.999400 -0.847600 1.0151E+01 1.4636E+01 -6.9427E+00 H1 638 1.008000 0.423800 9.2050E+00 1.4349E+01 -6.7886E+00 H2 639 1.008000 0.423800 1.0160E+01 1.5533E+01 -7.3842E+00 O6 640 15.999400 -0.847600 -1.4507E+01 6.4693E+00 -1.8937E+01 H1 641 1.008000 0.423800 -1.4337E+01 7.4503E+00 -1.8844E+01 H2 642 1.008000 0.423800 -1.3865E+01 5.9636E+00 -1.8361E+01 O6 643 15.999400 -0.847600 -1.1689E+01 1.1575E+01 3.4870E+00 H1 644 1.008000 0.423800 -1.0770E+01 1.1344E+01 3.8061E+00 H2 645 1.008000 0.423800 -1.1722E+01 1.2542E+01 3.2368E+00 O6 646 15.999400 -0.847600 8.4409E+00 1.6601E+01 -1.6902E+01 H1 647 1.008000 0.423800 7.6924E+00 1.6574E+01 -1.7565E+01 H2 648 1.008000 0.423800 9.0959E+00 1.5874E+01 -1.7109E+01 O6 649 15.999400 -0.847600 -2.0609E+00 -4.8599E+00 2.0074E+00 H1 650 1.008000 0.423800 -1.9993E+00 -4.2709E+00 1.2016E+00 H2 651 1.008000 0.423800 -1.7646E+00 -5.7845E+00 1.7678E+00 O6 652 15.999400 -0.847600 8.6466E+00 1.5894E+01 -1.1388E-01 H1 653 1.008000 0.423800 7.6986E+00 1.5746E+01 -3.9523E-01 H2 654 1.008000 0.423800 8.9615E+00 1.5112E+01 4.2339E-01 O6 655 15.999400 -0.847600 -1.7096E+01 1.7002E+01 8.0365E+00 H1 656 1.008000 0.423800 -1.6966E+01 1.7695E+01 7.3265E+00 H2 657 1.008000 0.423800 -1.6704E+01 1.6135E+01 7.7317E+00 O6 658 15.999400 -0.847600 1.3502E+01 4.7916E+00 1.4446E+01 H1 659 1.008000 0.423800 1.2936E+01 5.6157E+00 1.4452E+01 H2 660 1.008000 0.423800 1.2949E+01 4.0052E+00 1.4721E+01 O6 661 15.999400 -0.847600 8.3178E+00 1.3381E+01 -3.5646E+00 H1 662 1.008000 0.423800 8.6659E+00 1.4147E+01 -3.0243E+00 H2 663 1.008000 0.423800 8.8666E+00 1.2566E+01 -3.3793E+00 O6 664 15.999400 -0.847600 1.5615E+01 -1.9365E+01 -1.6446E+00 H1 665 1.008000 0.423800 1.5122E+01 -1.8569E+01 -1.9955E+00 H2 666 1.008000 0.423800 1.5001E+01 1.9183E+01 -1.0772E+00 O6 667 15.999400 -0.847600 1.0324E+01 -1.5576E+01 1.0734E+01 H1 668 1.008000 0.423800 1.0950E+01 -1.4886E+01 1.0371E+01 H2 669 1.008000 0.423800 9.4190E+00 -1.5170E+01 1.0861E+01 O6 670 15.999400 -0.847600 1.3084E+01 -1.6244E+01 -1.9085E+01 H1 671 1.008000 0.423800 1.2494E+01 -1.6769E+01 -1.8471E+01 H2 672 1.008000 0.423800 1.3845E+01 -1.5857E+01 -1.8566E+01 O6 673 15.999400 -0.847600 -2.3179E+00 1.7089E+01 1.7968E+01 H1 674 1.008000 0.423800 -2.9416E+00 1.6666E+01 1.8625E+01 H2 675 1.008000 0.423800 -2.6170E+00 1.6874E+01 1.7038E+01 O6 676 15.999400 -0.847600 -1.5087E+01 6.0737E+00 -1.0672E+01 H1 677 1.008000 0.423800 -1.4654E+01 6.7163E+00 -1.0040E+01 H2 678 1.008000 0.423800 -1.4881E+01 6.3419E+00 -1.1613E+01 O6 679 15.999400 -0.847600 -1.8252E+01 -3.3955E+00 -1.6803E+00 H1 680 1.008000 0.423800 -1.8582E+01 -4.2452E+00 -1.2689E+00 H2 681 1.008000 0.423800 -1.8956E+01 -2.6900E+00 -1.5979E+00 O6 682 15.999400 -0.847600 -4.1960E+00 -1.2698E+01 1.1648E+01 H1 683 1.008000 0.423800 -4.8367E+00 -1.2986E+01 1.0936E+01 H2 684 1.008000 0.423800 -3.6997E+00 -1.3495E+01 1.1992E+01 O6 685 15.999400 -0.847600 -3.1117E+00 4.9373E+00 5.7710E+00 H1 686 1.008000 0.423800 -3.1378E+00 5.0228E+00 4.7749E+00 H2 687 1.008000 0.423800 -3.7031E+00 5.6318E+00 6.1807E+00 O6 688 15.999400 -0.847600 -3.8826E+00 -1.6004E+01 -9.7399E+00 H1 689 1.008000 0.423800 -4.5254E+00 -1.5308E+01 -9.4182E+00 H2 690 1.008000 0.423800 -4.0959E+00 -1.6880E+01 -9.3080E+00 O6 691 15.999400 -0.847600 -7.9189E+00 -8.5628E-01 -1.7149E+01 H1 692 1.008000 0.423800 -7.0782E+00 -1.3976E+00 -1.7165E+01 H2 693 1.008000 0.423800 -7.7419E+00 4.6238E-02 -1.7541E+01 O6 694 15.999400 -0.847600 7.4793E+00 1.5993E+00 5.0462E+00 H1 695 1.008000 0.423800 7.8623E+00 2.4631E+00 4.7186E+00 H2 696 1.008000 0.423800 6.4942E+00 1.7023E+00 5.1833E+00 O6 697 15.999400 -0.847600 5.6729E-01 2.3694E+00 1.9442E+01 H1 698 1.008000 0.423800 1.2270E-01 1.5602E+00 -1.9272E+01 H2 699 1.008000 0.423800 2.9306E-01 3.1786E+00 -1.9136E+01 O6 700 15.999400 -0.847600 1.7529E+01 -1.0971E+01 1.6550E+01 H1 701 1.008000 0.423800 1.6586E+01 -1.0730E+01 1.6776E+01 H2 702 1.008000 0.423800 1.7896E+01 -1.1579E+01 1.7254E+01 O6 703 15.999400 -0.847600 1.6504E+01 1.8024E+01 -1.4268E+01 H1 704 1.008000 0.423800 1.6243E+01 1.7759E+01 -1.3340E+01 H2 705 1.008000 0.423800 1.6689E+01 1.7204E+01 -1.4810E+01 O6 706 15.999400 -0.847600 -1.2841E+01 9.9063E+00 5.2555E+00 H1 707 1.008000 0.423800 -1.1910E+01 1.0186E+01 5.4888E+00 H2 708 1.008000 0.423800 -1.3369E+01 9.7750E+00 6.0943E+00 O6 709 15.999400 -0.847600 -1.8299E+01 -1.4077E+01 1.2756E+01 H1 710 1.008000 0.423800 -1.8487E+01 -1.4960E+01 1.2326E+01 H2 711 1.008000 0.423800 -1.8324E+01 -1.3356E+01 1.2063E+01 O6 712 15.999400 -0.847600 -8.8685E+00 -1.2068E+00 -1.2229E+01 H1 713 1.008000 0.423800 -7.8824E+00 -1.3634E+00 -1.2174E+01 H2 714 1.008000 0.423800 -9.2695E+00 -1.8375E+00 -1.2894E+01 O6 715 15.999400 -0.847600 -1.7301E+01 -1.7511E+01 6.8490E+00 H1 716 1.008000 0.423800 -1.6804E+01 -1.7767E+01 7.6782E+00 H2 717 1.008000 0.423800 -1.6847E+01 -1.6734E+01 6.4138E+00 O6 718 15.999400 -0.847600 -9.2692E+00 1.1370E+01 -1.7376E-01 H1 719 1.008000 0.423800 -8.9126E+00 1.0514E+01 -5.4776E-01 H2 720 1.008000 0.423800 -1.0262E+01 1.1302E+01 -7.2943E-02 O6 721 15.999400 -0.847600 -1.0955E+01 -1.6584E+01 -5.3611E+00 H1 722 1.008000 0.423800 -1.0284E+01 -1.6480E+01 -6.0944E+00 H2 723 1.008000 0.423800 -1.0525E+01 -1.6375E+01 -4.4829E+00 O6 724 15.999400 -0.847600 -1.0467E+01 1.9471E+01 -3.3024E+00 H1 725 1.008000 0.423800 -1.1314E+01 -1.9473E+01 -3.8111E+00 H2 726 1.008000 0.423800 -9.6848E+00 -1.9516E+01 -3.9161E+00 O6 727 15.999400 -0.847600 1.2247E+00 1.0979E+01 -9.9391E+00 H1 728 1.008000 0.423800 1.1346E+00 1.1937E+01 -9.6653E+00 H2 729 1.008000 0.423800 9.5851E-01 1.0881E+01 -1.0898E+01 O6 730 15.999400 -0.847600 -9.5616E+00 -1.2414E+01 1.0629E+01 H1 731 1.008000 0.423800 -9.3550E+00 -1.1542E+01 1.0185E+01 H2 732 1.008000 0.423800 -1.0278E+01 -1.2888E+01 1.0117E+01 O6 733 15.999400 -0.847600 -1.4833E+01 9.0623E+00 1.0749E+01 H1 734 1.008000 0.423800 -1.4211E+01 9.2899E+00 1.1498E+01 H2 735 1.008000 0.423800 -1.5053E+01 9.8916E+00 1.0235E+01 O6 736 15.999400 -0.847600 9.4352E+00 -1.6772E+01 8.2981E+00 H1 737 1.008000 0.423800 9.6665E+00 -1.6650E+01 9.2633E+00 H2 738 1.008000 0.423800 9.3308E+00 -1.7747E+01 8.1013E+00 O6 739 15.999400 -0.847600 -1.2484E+01 -6.5016E+00 -1.4899E+01 H1 740 1.008000 0.423800 -1.2448E+01 -7.3435E+00 -1.5438E+01 H2 741 1.008000 0.423800 -1.2509E+01 -6.7293E+00 -1.3926E+01 O6 742 15.999400 -0.847600 -1.1456E+01 1.7859E+01 5.4128E+00 H1 743 1.008000 0.423800 -1.0552E+01 1.7748E+01 5.8264E+00 H2 744 1.008000 0.423800 -1.1353E+01 1.8146E+01 4.4603E+00 O6 745 15.999400 -0.847600 -7.3781E+00 -1.6064E+01 1.1351E+01 H1 746 1.008000 0.423800 -6.8474E+00 -1.6390E+01 1.0569E+01 H2 747 1.008000 0.423800 -7.5507E+00 -1.5084E+01 1.1252E+01 O6 748 15.999400 -0.847600 -8.3032E-01 -1.4929E+01 8.0729E+00 H1 749 1.008000 0.423800 -8.5034E-01 -1.5384E+01 8.9632E+00 H2 750 1.008000 0.423800 1.1668E-01 -1.4844E+01 7.7629E+00 O6 751 15.999400 -0.847600 9.2709E+00 -4.5424E+00 -4.8728E+00 H1 752 1.008000 0.423800 9.7380E+00 -4.0509E+00 -5.6078E+00 H2 753 1.008000 0.423800 8.3353E+00 -4.7539E+00 -5.1555E+00 O6 754 15.999400 -0.847600 -1.5894E+00 -1.0664E+01 -3.6276E+00 H1 755 1.008000 0.423800 -1.8438E+00 -1.0887E+01 -2.6866E+00 H2 756 1.008000 0.423800 -6.5889E-01 -1.0984E+01 -3.8060E+00 O6 757 15.999400 -0.847600 2.7173E+00 -2.3953E+00 1.3405E+01 H1 758 1.008000 0.423800 2.6247E+00 -3.3890E+00 1.3469E+01 H2 759 1.008000 0.423800 3.1923E+00 -2.0520E+00 1.4215E+01 O6 760 15.999400 -0.847600 5.6869E+00 1.8419E+01 6.7715E+00 H1 761 1.008000 0.423800 6.0048E+00 1.9294E+01 7.1357E+00 H2 762 1.008000 0.423800 4.7682E+00 1.8228E+01 7.1171E+00 O6 763 15.999400 -0.847600 -4.7486E+00 8.1280E+00 -4.2456E+00 H1 764 1.008000 0.423800 -3.9377E+00 8.5359E+00 -3.8260E+00 H2 765 1.008000 0.423800 -5.0058E+00 8.6553E+00 -5.0554E+00 O6 766 15.999400 -0.847600 -1.4064E+01 -1.7555E+01 -1.6111E+01 H1 767 1.008000 0.423800 -1.4991E+01 -1.7499E+01 -1.6482E+01 H2 768 1.008000 0.423800 -1.3582E+01 -1.6697E+01 -1.6287E+01 O6 769 15.999400 -0.847600 -1.8937E+01 -2.1946E+00 -1.1394E+01 H1 770 1.008000 0.423800 -1.9225E+01 -2.9425E+00 -1.1992E+01 H2 771 1.008000 0.423800 -1.9547E+01 -2.1479E+00 -1.0602E+01 O6 772 15.999400 -0.847600 -9.7489E+00 -6.6318E+00 -1.5627E+01 H1 773 1.008000 0.423800 -9.5837E+00 -7.4653E+00 -1.6154E+01 H2 774 1.008000 0.423800 -1.0714E+01 -6.5853E+00 -1.5371E+01 O6 775 15.999400 -0.847600 -1.7578E+01 1.0743E+01 1.9518E+01 H1 776 1.008000 0.423800 -1.8024E+01 1.1491E+01 1.9026E+01 H2 777 1.008000 0.423800 -1.7203E+01 1.0089E+01 1.8861E+01 O6 778 15.999400 -0.847600 -1.7311E+01 1.1453E+01 -7.0258E+00 H1 779 1.008000 0.423800 -1.7659E+01 1.0840E+01 -7.7355E+00 H2 780 1.008000 0.423800 -1.7985E+01 1.1528E+01 -6.2907E+00 O6 781 15.999400 -0.847600 4.8448E+00 -1.3124E+01 1.4923E+01 H1 782 1.008000 0.423800 4.0724E+00 -1.2710E+01 1.4441E+01 H2 783 1.008000 0.423800 5.5599E+00 -1.3361E+01 1.4265E+01 O6 784 15.999400 -0.847600 9.8139E+00 1.5270E+01 -2.6532E+00 H1 785 1.008000 0.423800 9.3649E+00 1.5502E+01 -1.7903E+00 H2 786 1.008000 0.423800 1.0515E+01 1.5953E+01 -2.8583E+00 O6 787 15.999400 -0.847600 2.4431E+00 4.4914E+00 -7.0043E+00 H1 788 1.008000 0.423800 2.3447E+00 5.4849E+00 -7.0625E+00 H2 789 1.008000 0.423800 1.9069E+00 4.0603E+00 -7.7300E+00 O6 790 15.999400 -0.847600 -3.2898E+00 1.1166E+01 -1.0049E+01 H1 791 1.008000 0.423800 -3.6256E+00 1.1104E+01 -9.1091E+00 H2 792 1.008000 0.423800 -2.3488E+00 1.1504E+01 -1.0045E+01 O6 793 15.999400 -0.847600 1.5950E+01 -1.0446E+01 -1.5223E+01 H1 794 1.008000 0.423800 1.5077E+01 -1.0934E+01 -1.5238E+01 H2 795 1.008000 0.423800 1.6440E+01 -1.0612E+01 -1.6079E+01 O6 796 15.999400 -0.847600 2.2740E-01 1.3471E+01 7.0217E+00 H1 797 1.008000 0.423800 -1.7652E-01 1.3447E+01 6.1072E+00 H2 798 1.008000 0.423800 1.2245E+00 1.3469E+01 6.9457E+00 O6 799 15.999400 -0.847600 1.4413E+01 1.8000E+01 1.4144E+01 H1 800 1.008000 0.423800 1.4686E+01 1.7322E+01 1.3461E+01 H2 801 1.008000 0.423800 1.4256E+01 1.8880E+01 1.3696E+01 O6 802 15.999400 -0.847600 -1.5030E+01 2.5206E+00 1.7539E+01 H1 803 1.008000 0.423800 -1.5726E+01 1.9554E+00 1.7095E+01 H2 804 1.008000 0.423800 -1.5475E+01 3.2621E+00 1.8042E+01 O6 805 15.999400 -0.847600 -1.9158E+01 -8.2439E+00 6.7131E+00 H1 806 1.008000 0.423800 1.9122E+01 -8.5645E+00 6.2339E+00 H2 807 1.008000 0.423800 -1.9291E+01 -7.2955E+00 7.0008E+00 O6 808 15.999400 -0.847600 1.9382E+01 -2.9369E+00 -8.7982E+00 H1 809 1.008000 0.423800 -1.9493E+01 -2.7378E+00 -7.8437E+00 H2 810 1.008000 0.423800 1.8619E+01 -2.3599E+00 -9.0900E+00 O6 811 15.999400 -0.847600 -6.2668E+00 8.1994E+00 -1.1523E+01 H1 812 1.008000 0.423800 -6.1934E+00 7.2388E+00 -1.1791E+01 H2 813 1.008000 0.423800 -7.2181E+00 8.4965E+00 -1.1605E+01 O6 814 15.999400 -0.847600 -7.0852E+00 -1.8964E+01 -1.1107E+00 H1 815 1.008000 0.423800 -6.9404E+00 -1.9296E+01 -1.7860E-01 H2 816 1.008000 0.423800 -7.9048E+00 -1.9391E+01 -1.4929E+00 O6 817 15.999400 -0.847600 -1.4226E+01 8.3446E+00 1.4179E+01 H1 818 1.008000 0.423800 -1.4772E+01 7.5062E+00 1.4179E+01 H2 819 1.008000 0.423800 -1.3908E+01 8.5350E+00 1.3250E+01 O6 820 15.999400 -0.847600 1.6770E+01 7.3209E+00 -1.8863E+01 H1 821 1.008000 0.423800 1.6498E+01 8.0878E+00 -1.9445E+01 H2 822 1.008000 0.423800 1.6290E+01 6.4940E+00 -1.9157E+01 O6 823 15.999400 -0.847600 -1.6872E+00 1.8677E+01 -9.9769E+00 H1 824 1.008000 0.423800 -1.4788E+00 1.7963E+01 -1.0646E+01 H2 825 1.008000 0.423800 -1.3859E+00 -1.9535E+01 -1.0329E+01 O6 826 15.999400 -0.847600 -2.5041E+00 -6.7444E+00 -8.9768E-01 H1 827 1.008000 0.423800 -2.4939E+00 -5.7449E+00 -8.6911E-01 H2 828 1.008000 0.423800 -2.2097E+00 -7.0550E+00 -1.8015E+00 O6 829 15.999400 -0.847600 -1.4769E+01 1.8117E+01 -1.8414E+01 H1 830 1.008000 0.423800 -1.4251E+01 1.7943E+01 -1.7576E+01 H2 831 1.008000 0.423800 -1.5002E+01 1.9088E+01 -1.8466E+01 O6 832 15.999400 -0.847600 7.9692E+00 -4.5584E+00 -2.0212E+00 H1 833 1.008000 0.423800 8.1455E+00 -3.6855E+00 -2.4763E+00 H2 834 1.008000 0.423800 8.4260E+00 -5.2935E+00 -2.5221E+00 O6 835 15.999400 -0.847600 1.7635E+01 -1.1083E+00 9.2779E+00 H1 836 1.008000 0.423800 1.7851E+01 -4.8503E-01 1.0029E+01 H2 837 1.008000 0.423800 1.7314E+01 -1.9794E+00 9.6494E+00 O6 838 15.999400 -0.847600 4.1038E+00 1.4958E+01 1.2461E+01 H1 839 1.008000 0.423800 4.9184E+00 1.4744E+01 1.3000E+01 H2 840 1.008000 0.423800 4.3424E+00 1.5610E+01 1.1741E+01 O6 841 15.999400 -0.847600 -1.9044E+01 1.0687E+01 -1.4979E+01 H1 842 1.008000 0.423800 -1.9248E+01 9.9059E+00 -1.4390E+01 H2 843 1.008000 0.423800 -1.9253E+01 1.0452E+01 -1.5928E+01 O6 844 15.999400 -0.847600 8.3613E+00 1.4731E+01 8.6445E+00 H1 845 1.008000 0.423800 9.1597E+00 1.4880E+01 8.0608E+00 H2 846 1.008000 0.423800 8.6629E+00 1.4516E+01 9.5733E+00 O6 847 15.999400 -0.847600 6.7710E+00 -1.5232E+01 1.9181E+01 H1 848 1.008000 0.423800 5.8154E+00 -1.4981E+01 1.9335E+01 H2 849 1.008000 0.423800 7.3617E+00 -1.4663E+01 -1.9345E+01 O6 850 15.999400 -0.847600 3.4787E+00 1.9418E+01 7.8713E-01 H1 851 1.008000 0.423800 3.2024E+00 -1.9455E+01 1.7216E+00 H2 852 1.008000 0.423800 3.0146E+00 1.8582E+01 4.9418E-01 O6 853 15.999400 -0.847600 1.8225E+01 5.6522E+00 1.7446E+01 H1 854 1.008000 0.423800 1.7243E+01 5.8127E+00 1.7543E+01 H2 855 1.008000 0.423800 1.8472E+01 4.8026E+00 1.7912E+01 O6 856 15.999400 -0.847600 -3.3712E-01 -6.7205E+00 -1.0510E+01 H1 857 1.008000 0.423800 -6.0097E-01 -7.6391E+00 -1.0804E+01 H2 858 1.008000 0.423800 -1.0373E+00 -6.3526E+00 -9.8982E+00 O6 859 15.999400 -0.847600 1.4190E+01 5.7012E+00 -8.0836E+00 H1 860 1.008000 0.423800 1.3787E+01 6.4738E+00 -8.5750E+00 H2 861 1.008000 0.423800 1.3463E+01 5.1630E+00 -7.6568E+00 O6 862 15.999400 -0.847600 9.3135E+00 -7.8930E+00 -1.7703E+01 H1 863 1.008000 0.423800 9.0722E+00 -8.6930E+00 -1.8253E+01 H2 864 1.008000 0.423800 9.6691E+00 -7.1738E+00 -1.8300E+01 O6 865 15.999400 -0.847600 1.5214E+01 -1.6397E+01 1.8059E+01 H1 866 1.008000 0.423800 1.4972E+01 -1.5430E+01 1.8142E+01 H2 867 1.008000 0.423800 1.4547E+01 -1.6951E+01 1.8556E+01 O6 868 15.999400 -0.847600 1.7144E+01 1.0680E+00 -1.8739E+00 H1 869 1.008000 0.423800 1.7536E+01 1.0856E+00 -2.7938E+00 H2 870 1.008000 0.423800 1.7829E+01 1.3780E+00 -1.2140E+00 O6 871 15.999400 -0.847600 -1.0141E+01 1.9614E+00 -1.5817E+01 H1 872 1.008000 0.423800 -1.0544E+01 1.2183E+00 -1.5282E+01 H2 873 1.008000 0.423800 -9.1539E+00 1.9878E+00 -1.5659E+01 O6 874 15.999400 -0.847600 -4.4057E+00 1.2126E+01 -1.9323E+01 H1 875 1.008000 0.423800 -4.7961E+00 1.1231E+01 -1.9105E+01 H2 876 1.008000 0.423800 -4.8034E+00 1.2464E+01 1.8921E+01 O6 877 15.999400 -0.847600 -1.8832E+01 4.8957E+00 -1.1686E+01 H1 878 1.008000 0.423800 -1.8597E+01 4.5650E+00 -1.0772E+01 H2 879 1.008000 0.423800 -1.8013E+01 4.8969E+00 -1.2261E+01 O6 880 15.999400 -0.847600 -1.3121E+01 -1.5339E+01 -6.3921E+00 H1 881 1.008000 0.423800 -1.3409E+01 -1.5566E+01 -7.3226E+00 H2 882 1.008000 0.423800 -1.2508E+01 -1.6051E+01 -6.0501E+00 O6 883 15.999400 -0.847600 -9.7056E-01 -8.7250E+00 1.1820E+01 H1 884 1.008000 0.423800 -1.0297E+00 -8.0695E+00 1.1067E+01 H2 885 1.008000 0.423800 -1.8219E+00 -9.2467E+00 1.1875E+01 O6 886 15.999400 -0.847600 -1.1088E+01 -1.3721E+01 -2.5039E+00 H1 887 1.008000 0.423800 -1.1045E+01 -1.2975E+01 -3.1680E+00 H2 888 1.008000 0.423800 -1.2021E+01 -1.4078E+01 -2.4634E+00 O6 889 15.999400 -0.847600 -1.3755E+00 1.0648E+01 6.9939E+00 H1 890 1.008000 0.423800 -1.8516E+00 1.1037E+01 7.7822E+00 H2 891 1.008000 0.423800 -4.0167E-01 1.0559E+01 7.2032E+00 O6 892 15.999400 -0.847600 -2.4385E+00 8.0424E+00 5.4938E+00 H1 893 1.008000 0.423800 -3.0669E+00 8.8062E+00 5.6418E+00 H2 894 1.008000 0.423800 -2.9499E+00 7.2493E+00 5.1632E+00 O6 895 15.999400 -0.847600 -1.6983E+01 -1.3504E+01 1.1852E+00 H1 896 1.008000 0.423800 -1.6940E+01 -1.4145E+01 1.9516E+00 H2 897 1.008000 0.423800 -1.6501E+01 -1.2662E+01 1.4277E+00 O6 898 15.999400 -0.847600 4.0740E+00 -1.7205E+01 6.1864E+00 H1 899 1.008000 0.423800 4.8657E+00 -1.7646E+01 6.6098E+00 H2 900 1.008000 0.423800 3.2412E+00 -1.7692E+01 6.4497E+00 O6 901 15.999400 -0.847600 -8.7202E+00 1.3415E+01 1.5679E+01 H1 902 1.008000 0.423800 -7.7233E+00 1.3480E+01 1.5634E+01 H2 903 1.008000 0.423800 -9.0094E+00 1.2508E+01 1.5374E+01 O6 904 15.999400 -0.847600 -7.8150E+00 -1.5757E+01 -1.0364E+01 H1 905 1.008000 0.423800 -7.5482E+00 -1.6721E+01 -1.0370E+01 H2 906 1.008000 0.423800 -8.7731E+00 -1.5678E+01 -1.0089E+01 O6 907 15.999400 -0.847600 8.1746E+00 9.8935E+00 1.8544E+01 H1 908 1.008000 0.423800 8.6075E+00 1.0690E+01 1.8123E+01 H2 909 1.008000 0.423800 8.7725E+00 9.0981E+00 1.8445E+01 O6 910 15.999400 -0.847600 -9.6456E+00 1.6261E+01 -5.4411E+00 H1 911 1.008000 0.423800 -1.0569E+01 1.6504E+01 -5.1433E+00 H2 912 1.008000 0.423800 -9.6669E+00 1.5985E+01 -6.4020E+00 O6 913 15.999400 -0.847600 -9.4640E+00 4.3641E+00 -1.0583E+01 H1 914 1.008000 0.423800 -9.2467E+00 3.6925E+00 -1.1292E+01 H2 915 1.008000 0.423800 -9.8059E+00 5.2008E+00 -1.1011E+01 O6 916 15.999400 -0.847600 1.0886E+00 -1.7830E+01 -1.3388E+01 H1 917 1.008000 0.423800 6.6472E-01 -1.8626E+01 -1.3819E+01 H2 918 1.008000 0.423800 1.9378E+00 -1.7605E+01 -1.3865E+01 O6 919 15.999400 -0.847600 1.3133E+00 -5.5483E+00 -1.4012E+01 H1 920 1.008000 0.423800 5.4635E-01 -6.0341E+00 -1.4431E+01 H2 921 1.008000 0.423800 1.9954E+00 -5.3354E+00 -1.4711E+01 O6 922 15.999400 -0.847600 -1.0159E+00 -1.5923E+01 -9.6157E+00 H1 923 1.008000 0.423800 -1.9598E+00 -1.6027E+01 -9.9291E+00 H2 924 1.008000 0.423800 -4.8973E-01 -1.5423E+01 -1.0303E+01 O6 925 15.999400 -0.847600 -1.0255E+00 7.2165E+00 7.5714E+00 H1 926 1.008000 0.423800 -1.5820E+00 6.8300E+00 8.3070E+00 H2 927 1.008000 0.423800 -1.6076E+00 7.4180E+00 6.7837E+00 O6 928 15.999400 -0.847600 -8.8427E+00 2.2160E+00 1.2244E+01 H1 929 1.008000 0.423800 -8.9690E+00 1.5935E+00 1.1472E+01 H2 930 1.008000 0.423800 -8.6947E+00 3.1444E+00 1.1903E+01 O6 931 15.999400 -0.847600 -1.5991E+01 1.0894E+01 -2.5159E+00 H1 932 1.008000 0.423800 -1.6251E+01 9.9308E+00 -2.4413E+00 H2 933 1.008000 0.423800 -1.5395E+01 1.1138E+01 -1.7512E+00 O6 934 15.999400 -0.847600 4.7464E+00 9.5732E+00 1.2532E+01 H1 935 1.008000 0.423800 5.6191E+00 9.8010E+00 1.2964E+01 H2 936 1.008000 0.423800 4.3844E+00 1.0381E+01 1.2066E+01 O6 937 15.999400 -0.847600 8.6617E+00 -1.9013E+01 -2.6212E+00 H1 938 1.008000 0.423800 7.8944E+00 -1.8559E+01 -2.1684E+00 H2 939 1.008000 0.423800 8.9015E+00 1.9254E+01 -2.1178E+00 O6 940 15.999400 -0.847600 1.1237E+00 1.2521E+01 1.0242E+01 H1 941 1.008000 0.423800 1.0548E+00 1.3175E+01 9.4885E+00 H2 942 1.008000 0.423800 3.4936E-01 1.1889E+01 1.0206E+01 O6 943 15.999400 -0.847600 1.7980E+00 -1.4218E+01 7.5152E+00 H1 944 1.008000 0.423800 2.7843E+00 -1.4233E+01 7.3506E+00 H2 945 1.008000 0.423800 1.3433E+00 -1.3732E+01 6.7687E+00 O6 946 15.999400 -0.847600 -1.8549E+00 -2.8848E+00 -9.3379E+00 H1 947 1.008000 0.423800 -1.8365E+00 -2.2180E+00 -8.5929E+00 H2 948 1.008000 0.423800 -1.2255E+00 -2.5961E+00 -1.0059E+01 O6 949 15.999400 -0.847600 1.6375E+01 -9.2179E+00 5.3794E-02 H1 950 1.008000 0.423800 1.6437E+01 -8.2307E+00 2.0089E-01 H2 951 1.008000 0.423800 1.7169E+01 -9.6663E+00 4.6379E-01 O6 952 15.999400 -0.847600 6.7773E+00 1.3597E+01 -9.6546E+00 H1 953 1.008000 0.423800 7.4313E+00 1.4328E+01 -9.8491E+00 H2 954 1.008000 0.423800 5.8481E+00 1.3930E+01 -9.8161E+00 O6 955 15.999400 -0.847600 8.5134E+00 -1.1851E+00 -9.0736E+00 H1 956 1.008000 0.423800 8.4651E+00 -1.9993E+00 -9.6522E+00 H2 957 1.008000 0.423800 9.0485E+00 -4.7848E-01 -9.5366E+00 O6 958 15.999400 -0.847600 -9.2034E+00 -7.4369E+00 -2.3894E+00 H1 959 1.008000 0.423800 -9.8386E+00 -6.8046E+00 -2.8331E+00 H2 960 1.008000 0.423800 -9.6942E+00 -7.9775E+00 -1.7062E+00 O6 961 15.999400 -0.847600 1.4130E+01 -9.3725E-03 9.0813E-01 H1 962 1.008000 0.423800 1.3502E+01 5.0686E-01 3.2543E-01 H2 963 1.008000 0.423800 1.3710E+01 -8.8120E-01 1.1601E+00 O6 964 15.999400 -0.847600 1.0553E+01 1.0695E+00 1.4247E+01 H1 965 1.008000 0.423800 1.0970E+01 3.7421E-01 1.3662E+01 H2 966 1.008000 0.423800 9.9065E+00 6.3348E-01 1.4873E+01 O6 967 15.999400 -0.847600 -1.5710E+01 -8.4569E-01 5.3008E+00 H1 968 1.008000 0.423800 -1.4826E+01 -4.7031E-01 5.5806E+00 H2 969 1.008000 0.423800 -1.5760E+01 -1.8102E+00 5.5601E+00 O6 970 15.999400 -0.847600 1.2805E+01 -1.9571E+00 3.0077E+00 H1 971 1.008000 0.423800 1.2940E+01 -1.1360E+00 3.5622E+00 H2 972 1.008000 0.423800 1.2937E+01 -2.7688E+00 3.5765E+00 O6 973 15.999400 -0.847600 5.4015E+00 -1.1689E+01 -1.9382E+01 H1 974 1.008000 0.423800 5.5000E+00 -1.2075E+01 1.8798E+01 H2 975 1.008000 0.423800 4.9557E+00 -1.2356E+01 -1.8786E+01 O6 976 15.999400 -0.847600 8.8818E+00 -7.2925E+00 -1.0446E+00 H1 977 1.008000 0.423800 8.4879E+00 -6.6408E+00 -3.9636E-01 H2 978 1.008000 0.423800 9.6055E+00 -7.8149E+00 -5.9368E-01 O6 979 15.999400 -0.847600 4.8545E+00 -9.1243E+00 1.4305E+01 H1 980 1.008000 0.423800 4.0070E+00 -8.8882E+00 1.3830E+01 H2 981 1.008000 0.423800 4.6769E+00 -9.1976E+00 1.5287E+01 O6 982 15.999400 -0.847600 -1.2590E+01 -2.8217E+00 1.9319E+01 H1 983 1.008000 0.423800 -1.1785E+01 -2.5460E+00 -1.9253E+01 H2 984 1.008000 0.423800 -1.2516E+01 -2.4691E+00 1.8387E+01 O6 985 15.999400 -0.847600 4.1823E-01 -1.2778E+01 4.9285E+00 H1 986 1.008000 0.423800 1.0087E+00 -1.2556E+01 4.1526E+00 H2 987 1.008000 0.423800 -5.2006E-01 -1.2906E+01 4.6073E+00 O6 988 15.999400 -0.847600 2.3544E+00 5.6505E+00 8.8232E+00 H1 989 1.008000 0.423800 2.5824E+00 6.4538E+00 9.3734E+00 H2 990 1.008000 0.423800 1.8490E+00 4.9948E+00 9.3841E+00 O6 991 15.999400 -0.847600 -1.2807E+01 -6.1220E+00 4.1619E+00 H1 992 1.008000 0.423800 -1.2497E+01 -5.3055E+00 3.6752E+00 H2 993 1.008000 0.423800 -1.3348E+01 -6.6927E+00 3.5440E+00 O6 994 15.999400 -0.847600 1.2407E+01 1.0354E+00 8.0841E+00 H1 995 1.008000 0.423800 1.1890E+01 1.5186E+00 7.3776E+00 H2 996 1.008000 0.423800 1.2328E+01 4.9085E-02 7.9396E+00 O6 997 15.999400 -0.847600 1.8897E+01 -5.5056E+00 6.9719E+00 H1 998 1.008000 0.423800 1.9408E+01 -4.8651E+00 7.5453E+00 H2 999 1.008000 0.423800 1.7918E+01 -5.3980E+00 7.1428E+00 O6 1000 15.999400 -0.847600 5.8319E+00 -6.8413E+00 1.9008E+01 H1 1001 1.008000 0.423800 6.5385E+00 -7.4620E+00 1.8668E+01 H2 1002 1.008000 0.423800 5.1620E+00 -7.3587E+00 1.9540E+01 O6 1003 15.999400 -0.847600 -5.9289E+00 1.4840E+01 3.8135E+00 H1 1004 1.008000 0.423800 -6.1356E+00 1.5013E+01 2.8504E+00 H2 1005 1.008000 0.423800 -5.0321E+00 1.5223E+01 4.0357E+00 O6 1006 15.999400 -0.847600 -1.0158E+01 -1.4841E+01 -9.6219E+00 H1 1007 1.008000 0.423800 -9.9815E+00 -1.3905E+01 -9.9275E+00 H2 1008 1.008000 0.423800 -1.0443E+01 -1.5398E+01 -1.0402E+01 O6 1009 15.999400 -0.847600 1.0458E+01 -1.5329E+01 -1.2415E+01 H1 1010 1.008000 0.423800 9.6961E+00 -1.4990E+01 -1.2968E+01 H2 1011 1.008000 0.423800 1.0461E+01 -1.4862E+01 -1.1531E+01 O6 1012 15.999400 -0.847600 8.4646E+00 -2.9176E+00 4.5334E+00 H1 1013 1.008000 0.423800 7.9435E+00 -2.3647E+00 3.8832E+00 H2 1014 1.008000 0.423800 9.1665E+00 -2.3512E+00 4.9652E+00 O6 1015 15.999400 -0.847600 -1.0900E+01 5.8237E+00 -6.4940E+00 H1 1016 1.008000 0.423800 -1.1634E+01 6.5033E+00 -6.4967E+00 H2 1017 1.008000 0.423800 -1.1240E+01 4.9679E+00 -6.1042E+00 O6 1018 15.999400 -0.847600 -1.5204E+01 -7.8592E+00 -5.3245E+00 H1 1019 1.008000 0.423800 -1.4664E+01 -8.4977E+00 -4.7761E+00 H2 1020 1.008000 0.423800 -1.5905E+01 -7.4369E+00 -4.7500E+00 O6 1021 15.999400 -0.847600 1.2566E+01 -1.3170E+01 -1.8450E+01 H1 1022 1.008000 0.423800 1.3362E+01 -1.2606E+01 -1.8230E+01 H2 1023 1.008000 0.423800 1.2593E+01 -1.4010E+01 -1.7908E+01 O6 1024 15.999400 -0.847600 -1.1546E+01 6.6268E+00 -9.9302E+00 H1 1025 1.008000 0.423800 -1.1635E+01 6.6217E+00 -1.0926E+01 H2 1026 1.008000 0.423800 -1.2001E+01 5.8209E+00 -9.5509E+00 O6 1027 15.999400 -0.847600 1.4394E+01 4.1169E-01 -1.1699E+01 H1 1028 1.008000 0.423800 1.3923E+01 1.1806E+00 -1.1266E+01 H2 1029 1.008000 0.423800 1.4357E+01 5.1455E-01 -1.2693E+01 O6 1030 15.999400 -0.847600 -9.7133E+00 -1.4787E+01 6.8065E+00 H1 1031 1.008000 0.423800 -9.6854E+00 -1.5577E+01 7.4182E+00 H2 1032 1.008000 0.423800 -1.0665E+01 -1.4533E+01 6.6336E+00 O6 1033 15.999400 -0.847600 -7.3137E+00 6.3913E+00 1.6504E+01 H1 1034 1.008000 0.423800 -7.7076E+00 7.3049E+00 1.6605E+01 H2 1035 1.008000 0.423800 -8.0343E+00 5.7050E+00 1.6602E+01 O6 1036 15.999400 -0.847600 3.4426E+00 4.2429E+00 -1.8714E+01 H1 1037 1.008000 0.423800 2.5677E+00 4.5249E+00 -1.9108E+01 H2 1038 1.008000 0.423800 3.3469E+00 4.1477E+00 -1.7723E+01 O6 1039 15.999400 -0.847600 -1.3576E+01 -1.4101E+01 -1.0780E+01 H1 1040 1.008000 0.423800 -1.3433E+01 -1.4819E+01 -1.1461E+01 H2 1041 1.008000 0.423800 -1.3803E+01 -1.4517E+01 -9.8991E+00 O6 1042 15.999400 -0.847600 2.7072E+00 7.5222E+00 -6.9634E+00 H1 1043 1.008000 0.423800 1.7117E+00 7.5977E+00 -7.0215E+00 H2 1044 1.008000 0.423800 3.1218E+00 8.4048E+00 -7.1849E+00 O6 1045 15.999400 -0.847600 1.4259E+00 3.2437E+00 -9.1902E+00 H1 1046 1.008000 0.423800 7.0060E-01 2.5556E+00 -9.1684E+00 H2 1047 1.008000 0.423800 2.2155E+00 2.8801E+00 -9.6843E+00 O6 1048 15.999400 -0.847600 -1.5204E+01 -9.4838E+00 -7.7331E+00 H1 1049 1.008000 0.423800 -1.5647E+01 -9.5612E+00 -8.6262E+00 H2 1050 1.008000 0.423800 -1.5783E+01 -8.9467E+00 -7.1194E+00 O6 1051 15.999400 -0.847600 1.4672E+01 -3.6047E+00 -1.2269E+01 H1 1052 1.008000 0.423800 1.4745E+01 -4.0629E+00 -1.1383E+01 H2 1053 1.008000 0.423800 1.4079E+01 -4.1372E+00 -1.2872E+01 O6 1054 15.999400 -0.847600 1.6387E-01 1.4040E+01 1.2656E+01 H1 1055 1.008000 0.423800 3.5959E-01 1.4941E+01 1.2271E+01 H2 1056 1.008000 0.423800 3.3772E-01 1.3337E+01 1.1966E+01 O6 1057 15.999400 -0.847600 8.3177E+00 -1.4024E+01 -1.8317E+01 H1 1058 1.008000 0.423800 8.2748E+00 -1.3292E+01 -1.7637E+01 H2 1059 1.008000 0.423800 9.0545E+00 -1.3833E+01 -1.8966E+01 O6 1060 15.999400 -0.847600 -6.6643E+00 2.1582E+00 1.6234E+01 H1 1061 1.008000 0.423800 -7.1068E+00 1.4550E+00 1.5678E+01 H2 1062 1.008000 0.423800 -5.7268E+00 2.2952E+00 1.5915E+01 O6 1063 15.999400 -0.847600 -1.8006E+01 -7.1254E+00 -3.7625E+00 H1 1064 1.008000 0.423800 -1.8493E+01 -6.4279E+00 -4.2887E+00 H2 1065 1.008000 0.423800 -1.8572E+01 -7.9468E+00 -3.6944E+00 O6 1066 15.999400 -0.847600 -1.3205E+01 1.6707E+01 -1.0301E+01 H1 1067 1.008000 0.423800 -1.2308E+01 1.6768E+01 -1.0739E+01 H2 1068 1.008000 0.423800 -1.3566E+01 1.5781E+01 -1.0410E+01 O6 1069 15.999400 -0.847600 -1.4034E+01 1.3703E+01 -1.9057E+01 H1 1070 1.008000 0.423800 -1.4488E+01 1.4118E+01 1.9252E+01 H2 1071 1.008000 0.423800 -1.3888E+01 1.2729E+01 -1.9232E+01 O6 1072 15.999400 -0.847600 -1.5080E+01 1.2803E+00 -7.7583E+00 H1 1073 1.008000 0.423800 -1.5563E+01 4.0700E-01 -7.8187E+00 H2 1074 1.008000 0.423800 -1.4753E+01 1.5437E+00 -8.6659E+00 O6 1075 15.999400 -0.847600 -4.4568E+00 2.5338E+00 1.9506E+01 H1 1076 1.008000 0.423800 -4.4978E+00 3.4583E+00 -1.9212E+01 H2 1077 1.008000 0.423800 -3.7494E+00 2.4940E+00 1.8801E+01 O6 1078 15.999400 -0.847600 -9.5299E+00 -6.6765E+00 -1.9111E+01 H1 1079 1.008000 0.423800 -1.0309E+01 -6.2353E+00 -1.8666E+01 H2 1080 1.008000 0.423800 -9.4268E+00 -6.3141E+00 1.9060E+01 O6 1081 15.999400 -0.847600 -1.6702E+01 1.9289E+00 1.3233E+01 H1 1082 1.008000 0.423800 -1.5794E+01 1.7678E+00 1.3621E+01 H2 1083 1.008000 0.423800 -1.7018E+01 2.8419E+00 1.3491E+01 O6 1084 15.999400 -0.847600 1.5630E+01 -9.6783E+00 5.6616E+00 H1 1085 1.008000 0.423800 1.5904E+01 -1.0029E+01 6.5571E+00 H2 1086 1.008000 0.423800 1.6445E+01 -9.4465E+00 5.1310E+00 O6 1087 15.999400 -0.847600 -4.1197E+00 -1.7762E+01 1.8996E+01 H1 1088 1.008000 0.423800 -3.7467E+00 -1.8604E+01 1.8605E+01 H2 1089 1.008000 0.423800 -4.6428E+00 -1.7980E+01 -1.9278E+01 O6 1090 15.999400 -0.847600 3.3498E+00 6.6310E-01 1.0942E+00 H1 1091 1.008000 0.423800 3.8144E+00 1.5349E+00 1.2493E+00 H2 1092 1.008000 0.423800 3.3152E+00 4.7388E-01 1.1291E-01 O6 1093 15.999400 -0.847600 3.0034E+00 1.8039E+01 1.6970E+01 H1 1094 1.008000 0.423800 3.6998E+00 1.8756E+01 1.7001E+01 H2 1095 1.008000 0.423800 3.4142E+00 1.7165E+01 1.7228E+01 O6 1096 15.999400 -0.847600 1.1129E+00 -1.0462E+01 9.4610E+00 H1 1097 1.008000 0.423800 9.0830E-01 -1.0676E+01 8.5058E+00 H2 1098 1.008000 0.423800 4.5125E-01 -1.0921E+01 1.0054E+01 O6 1099 15.999400 -0.847600 1.6924E+01 -9.7357E-02 1.6451E+00 H1 1100 1.008000 0.423800 1.6007E+01 1.4366E-01 1.3298E+00 H2 1101 1.008000 0.423800 1.7588E+01 5.4711E-01 1.2644E+00 O6 1102 15.999400 -0.847600 1.3696E+01 -1.0159E+01 -1.7044E+01 H1 1103 1.008000 0.423800 1.4202E+01 -1.0755E+01 -1.7667E+01 H2 1104 1.008000 0.423800 1.3063E+01 -9.5888E+00 -1.7568E+01 O6 1105 15.999400 -0.847600 1.0487E+01 9.6475E-01 -1.7275E+01 H1 1106 1.008000 0.423800 1.0206E+01 1.3727E-02 -1.7403E+01 H2 1107 1.008000 0.423800 9.6920E+00 1.5170E+00 -1.7025E+01 O6 1108 15.999400 -0.847600 -1.3176E+00 1.8881E+01 -7.1637E+00 H1 1109 1.008000 0.423800 -1.0777E+00 -1.9349E+01 -6.7272E+00 H2 1110 1.008000 0.423800 -1.4840E+00 1.9033E+01 -8.1379E+00 O6 1111 15.999400 -0.847600 6.3262E+00 -1.9264E+01 4.1502E+00 H1 1112 1.008000 0.423800 6.9199E+00 -1.8464E+01 4.2358E+00 H2 1113 1.008000 0.423800 6.6082E+00 1.9137E+01 4.8101E+00 O6 1114 15.999400 -0.847600 -6.6999E+00 5.2001E+00 -5.4969E+00 H1 1115 1.008000 0.423800 -6.2647E+00 5.3001E+00 -4.6021E+00 H2 1116 1.008000 0.423800 -7.6627E+00 5.4622E+00 -5.4304E+00 O6 1117 15.999400 -0.847600 6.1006E+00 7.7140E+00 -1.6203E+01 H1 1118 1.008000 0.423800 5.9498E+00 7.1627E+00 -1.5382E+01 H2 1119 1.008000 0.423800 5.7805E+00 7.2109E+00 -1.7006E+01 O6 1120 15.999400 -0.847600 -1.1784E+01 1.3907E+01 1.4311E+01 H1 1121 1.008000 0.423800 -1.0945E+01 1.3433E+01 1.4580E+01 H2 1122 1.008000 0.423800 -1.1560E+01 1.4833E+01 1.4006E+01 O6 1123 15.999400 -0.847600 -6.6401E+00 1.4245E+00 -1.8136E+01 H1 1124 1.008000 0.423800 -5.6868E+00 1.5079E+00 -1.8427E+01 H2 1125 1.008000 0.423800 -7.2298E+00 1.3654E+00 -1.8942E+01 O6 1126 15.999400 -0.847600 1.6256E+01 3.9603E+00 -1.6552E+01 H1 1127 1.008000 0.423800 1.5879E+01 3.2554E+00 -1.7153E+01 H2 1128 1.008000 0.423800 1.5510E+01 4.4245E+00 -1.6074E+01 O6 1129 15.999400 -0.847600 -1.5490E+01 2.6647E+00 -5.5418E+00 H1 1130 1.008000 0.423800 -1.4973E+01 2.3074E+00 -4.7640E+00 H2 1131 1.008000 0.423800 -1.5517E+01 1.9778E+00 -6.2680E+00 O6 1132 15.999400 -0.847600 1.4392E+00 1.7809E+01 -2.6890E-01 H1 1133 1.008000 0.423800 2.1545E+00 1.7117E+01 -3.7092E-01 H2 1134 1.008000 0.423800 6.3993E-01 1.7543E+01 -8.0813E-01 O6 1135 15.999400 -0.847600 1.0943E+01 1.1366E+01 -1.8113E+01 H1 1136 1.008000 0.423800 1.1812E+01 1.1322E+01 -1.7621E+01 H2 1137 1.008000 0.423800 1.0757E+01 1.0482E+01 -1.8541E+01 O6 1138 15.999400 -0.847600 -1.9213E+01 -1.8043E+01 -1.5109E+01 H1 1139 1.008000 0.423800 1.9343E+01 -1.8631E+01 -1.4508E+01 H2 1140 1.008000 0.423800 1.9442E+01 -1.7150E+01 -1.5188E+01 O6 1141 15.999400 -0.847600 1.6838E+01 -1.7773E+01 1.6418E+01 H1 1142 1.008000 0.423800 1.6305E+01 -1.7421E+01 1.7188E+01 H2 1143 1.008000 0.423800 1.7472E+01 -1.7067E+01 1.6102E+01 O6 1144 15.999400 -0.847600 -1.2100E+01 1.7059E+01 -4.7600E+00 H1 1145 1.008000 0.423800 -1.2237E+01 1.6590E+01 -3.8875E+00 H2 1146 1.008000 0.423800 -1.2262E+01 1.8038E+01 -4.6408E+00 O6 1147 15.999400 -0.847600 1.7838E+01 -2.0604E-01 -7.5657E+00 H1 1148 1.008000 0.423800 1.8766E+01 1.2577E-01 -7.7342E+00 H2 1149 1.008000 0.423800 1.7223E+01 1.5298E-01 -8.2680E+00 O6 1150 15.999400 -0.847600 1.5416E+00 -1.3783E+01 1.7691E+01 H1 1151 1.008000 0.423800 2.2600E+00 -1.4387E+01 1.7347E+01 H2 1152 1.008000 0.423800 1.3521E+00 -1.3072E+01 1.7014E+01 O6 1153 15.999400 -0.847600 -7.7632E+00 -1.9215E+01 3.8988E+00 H1 1154 1.008000 0.423800 -7.8139E+00 1.9394E+01 3.0277E+00 H2 1155 1.008000 0.423800 -6.8358E+00 -1.9285E+01 4.2664E+00 O6 1156 15.999400 -0.847600 2.2737E+00 1.3353E+01 1.6294E+00 H1 1157 1.008000 0.423800 1.3986E+00 1.3717E+01 1.9491E+00 H2 1158 1.008000 0.423800 2.5054E+00 1.3768E+01 7.4961E-01 O6 1159 15.999400 -0.847600 4.9440E+00 -1.8916E+01 -9.7477E+00 H1 1160 1.008000 0.423800 4.9299E+00 1.9186E+01 -9.8375E+00 H2 1161 1.008000 0.423800 5.8277E+00 -1.8627E+01 -9.3794E+00 O6 1162 15.999400 -0.847600 1.7440E+01 1.8027E+01 -6.2108E+00 H1 1163 1.008000 0.423800 1.8424E+01 1.8184E+01 -6.1265E+00 H2 1164 1.008000 0.423800 1.7219E+01 1.7804E+01 -7.1600E+00 O6 1165 15.999400 -0.847600 1.3827E+01 -1.1195E+01 -4.2221E+00 H1 1166 1.008000 0.423800 1.4306E+01 -1.1130E+01 -3.3463E+00 H2 1167 1.008000 0.423800 1.3726E+01 -1.0281E+01 -4.6151E+00 O6 1168 15.999400 -0.847600 5.0904E+00 1.7386E+01 1.1441E+01 H1 1169 1.008000 0.423800 5.6774E+00 1.7291E+01 1.0637E+01 H2 1170 1.008000 0.423800 5.6576E+00 1.7511E+01 1.2255E+01 O6 1171 15.999400 -0.847600 -1.4348E+01 1.5126E+01 5.0023E+00 H1 1172 1.008000 0.423800 -1.4473E+01 1.4143E+01 5.1396E+00 H2 1173 1.008000 0.423800 -1.4428E+01 1.5598E+01 5.8803E+00 O6 1174 15.999400 -0.847600 1.0452E+01 -4.2138E+00 1.3043E+01 H1 1175 1.008000 0.423800 9.7424E+00 -3.5596E+00 1.3303E+01 H2 1176 1.008000 0.423800 1.0604E+01 -4.1649E+00 1.2055E+01 O6 1177 15.999400 -0.847600 1.0365E+01 -3.2062E+00 1.0476E+01 H1 1178 1.008000 0.423800 1.0165E+01 -2.3104E+00 1.0873E+01 H2 1179 1.008000 0.423800 9.5831E+00 -3.5114E+00 9.9318E+00 O6 1180 15.999400 -0.847600 6.0166E+00 -3.1280E+00 -1.0334E+01 H1 1181 1.008000 0.423800 5.6181E+00 -3.8505E+00 -1.0899E+01 H2 1182 1.008000 0.423800 5.5039E+00 -2.2799E+00 -1.0467E+01 O6 1183 15.999400 -0.847600 -1.1037E+01 -3.1877E+00 7.6706E+00 H1 1184 1.008000 0.423800 -1.0486E+01 -3.7961E+00 7.0993E+00 H2 1185 1.008000 0.423800 -1.1357E+01 -3.6864E+00 8.4759E+00 O6 1186 15.999400 -0.847600 9.3485E+00 2.0522E+00 -1.0583E+00 H1 1187 1.008000 0.423800 9.6404E+00 1.9385E+00 -2.0080E+00 H2 1188 1.008000 0.423800 8.5004E+00 1.5444E+00 -9.0736E-01 O6 1189 15.999400 -0.847600 8.4910E+00 -7.2156E+00 -3.6939E+00 H1 1190 1.008000 0.423800 8.8055E+00 -7.1235E+00 -2.7492E+00 H2 1191 1.008000 0.423800 8.8712E+00 -6.4733E+00 -4.2456E+00 O6 1192 15.999400 -0.847600 -1.3005E+00 9.4677E+00 1.0151E+00 H1 1193 1.008000 0.423800 -1.1211E+00 8.9395E+00 1.8451E+00 H2 1194 1.008000 0.423800 -2.1218E+00 9.1151E+00 5.6664E-01 O6 1195 15.999400 -0.847600 -1.8331E+01 1.7070E+00 -1.3383E+01 H1 1196 1.008000 0.423800 -1.9006E+01 9.6905E-01 -1.3368E+01 H2 1197 1.008000 0.423800 -1.8351E+01 2.1572E+00 -1.4276E+01 O6 1198 15.999400 -0.847600 3.7061E+00 -9.2060E+00 -8.0150E+00 H1 1199 1.008000 0.423800 2.7818E+00 -9.4155E+00 -8.3339E+00 H2 1200 1.008000 0.423800 3.7454E+00 -9.3028E+00 -7.0205E+00 O6 1201 15.999400 -0.847600 1.8799E+01 1.0060E+01 -2.9982E-01 H1 1202 1.008000 0.423800 1.8770E+01 1.0846E+01 -9.1746E-01 H2 1203 1.008000 0.423800 1.7953E+01 1.0024E+01 2.3314E-01 O6 1204 15.999400 -0.847600 -6.4416E+00 5.2735E+00 4.6555E+00 H1 1205 1.008000 0.423800 -7.1805E+00 4.6598E+00 4.9337E+00 H2 1206 1.008000 0.423800 -6.0748E+00 5.7400E+00 5.4604E+00 O6 1207 15.999400 -0.847600 -1.3497E+01 -1.1895E+00 1.5488E+00 H1 1208 1.008000 0.423800 -1.4313E+01 -1.5454E+00 1.0923E+00 H2 1209 1.008000 0.423800 -1.3019E+01 -5.6060E-01 9.3543E-01 O6 1210 15.999400 -0.847600 -1.3750E+01 5.2606E+00 1.1149E+01 H1 1211 1.008000 0.423800 -1.4150E+01 4.4912E+00 1.0651E+01 H2 1212 1.008000 0.423800 -1.3764E+01 6.0757E+00 1.0570E+01 O6 1213 15.999400 -0.847600 1.7308E+01 6.9889E+00 -1.4534E+01 H1 1214 1.008000 0.423800 1.7634E+01 6.2112E+00 -1.5071E+01 H2 1215 1.008000 0.423800 1.7164E+01 6.7023E+00 -1.3587E+01 O6 1216 15.999400 -0.847600 1.2171E+01 1.3468E+01 -7.8552E-01 H1 1217 1.008000 0.423800 1.1445E+01 1.3553E+01 -1.0291E-01 H2 1218 1.008000 0.423800 1.1943E+01 1.2735E+01 -1.4256E+00 O6 1219 15.999400 -0.847600 1.8088E+01 -1.4959E+01 -1.8169E+01 H1 1220 1.008000 0.423800 1.7228E+01 -1.5037E+01 -1.7665E+01 H2 1221 1.008000 0.423800 1.8166E+01 -1.5717E+01 -1.8816E+01 O6 1222 15.999400 -0.847600 6.4748E+00 3.1299E+00 9.2703E-01 H1 1223 1.008000 0.423800 6.3904E+00 4.1019E+00 7.0756E-01 H2 1224 1.008000 0.423800 7.3299E+00 2.9729E+00 1.4212E+00 O6 1225 15.999400 -0.847600 -9.8714E+00 1.1247E+01 1.2064E+01 H1 1226 1.008000 0.423800 -1.0028E+01 1.2179E+01 1.1738E+01 H2 1227 1.008000 0.423800 -9.0318E+00 1.0888E+01 1.1656E+01 O6 1228 15.999400 -0.847600 1.8341E+00 -9.3819E+00 -1.4746E+01 H1 1229 1.008000 0.423800 1.6549E+00 -8.4975E+00 -1.4315E+01 H2 1230 1.008000 0.423800 2.5479E+00 -9.2765E+00 -1.5438E+01 O6 1231 15.999400 -0.847600 -1.4229E+00 -1.5591E+01 -4.8987E+00 H1 1232 1.008000 0.423800 -6.2146E-01 -1.5002E+01 -5.0016E+00 H2 1233 1.008000 0.423800 -2.2435E+00 -1.5026E+01 -4.8146E+00 O6 1234 15.999400 -0.847600 -4.5498E+00 1.4371E+01 -8.1472E+00 H1 1235 1.008000 0.423800 -3.8575E+00 1.4652E+01 -8.8120E+00 H2 1236 1.008000 0.423800 -5.0495E+00 1.3580E+01 -8.5003E+00 O6 1237 15.999400 -0.847600 -1.1240E+01 1.6363E+01 1.6922E+01 H1 1238 1.008000 0.423800 -1.0464E+01 1.6986E+01 1.7019E+01 H2 1239 1.008000 0.423800 -1.1900E+01 1.6537E+01 1.7654E+01 O6 1240 15.999400 -0.847600 -1.7715E+01 -6.7115E+00 3.7407E-01 H1 1241 1.008000 0.423800 -1.8312E+01 -6.6511E+00 -4.2619E-01 H2 1242 1.008000 0.423800 -1.6828E+01 -6.3021E+00 1.6015E-01 O6 1243 15.999400 -0.847600 1.5628E+01 1.4405E+01 -3.9255E+00 H1 1244 1.008000 0.423800 1.4980E+01 1.4638E+01 -3.2010E+00 H2 1245 1.008000 0.423800 1.5879E+01 1.3440E+01 -3.8497E+00 O6 1246 15.999400 -0.847600 1.1035E+01 1.1291E+01 1.4900E+01 H1 1247 1.008000 0.423800 1.1103E+01 1.1791E+01 1.4037E+01 H2 1248 1.008000 0.423800 1.1175E+01 1.0315E+01 1.4733E+01 O6 1249 15.999400 -0.847600 -2.2117E+00 -5.5745E+00 1.3725E+01 H1 1250 1.008000 0.423800 -2.8515E+00 -4.8059E+00 1.3737E+01 H2 1251 1.008000 0.423800 -1.7731E+00 -5.6288E+00 1.2828E+01 O6 1252 15.999400 -0.847600 -1.0667E+01 1.7253E+01 -1.0901E+01 H1 1253 1.008000 0.423800 -1.0314E+01 1.7071E+01 -1.1818E+01 H2 1254 1.008000 0.423800 -9.9253E+00 1.7583E+01 -1.0317E+01 O6 1255 15.999400 -0.847600 -1.4797E+01 2.1168E+00 9.8685E-02 H1 1256 1.008000 0.423800 -1.4185E+01 2.0148E+00 8.8271E-01 H2 1257 1.008000 0.423800 -1.4256E+01 2.2247E+00 -7.3513E-01 O6 1258 15.999400 -0.847600 -5.2074E+00 -1.4846E+01 2.3108E+00 H1 1259 1.008000 0.423800 -5.0233E+00 -1.3906E+01 2.6001E+00 H2 1260 1.008000 0.423800 -4.3460E+00 -1.5299E+01 2.0808E+00 O6 1261 15.999400 -0.847600 -1.5107E+01 1.1604E+01 1.7398E+01 H1 1262 1.008000 0.423800 -1.5369E+01 1.1896E+01 1.6478E+01 H2 1263 1.008000 0.423800 -1.5637E+01 1.0796E+01 1.7655E+01 O6 1264 15.999400 -0.847600 1.6413E+01 4.7064E+00 -7.0020E+00 H1 1265 1.008000 0.423800 1.5485E+01 5.0106E+00 -7.2180E+00 H2 1266 1.008000 0.423800 1.6726E+01 5.1590E+00 -6.1671E+00 O6 1267 15.999400 -0.847600 -1.9047E+01 1.3468E+01 9.1872E+00 H1 1268 1.008000 0.423800 -1.9143E+01 1.2599E+01 9.6727E+00 H2 1269 1.008000 0.423800 -1.8823E+01 1.3291E+01 8.2288E+00 O6 1270 15.999400 -0.847600 -1.1479E+01 1.9199E+01 -1.7509E+01 H1 1271 1.008000 0.423800 -1.0706E+01 1.9336E+01 -1.6889E+01 H2 1272 1.008000 0.423800 -1.2281E+01 1.8914E+01 -1.6983E+01 O6 1273 15.999400 -0.847600 -8.7916E+00 1.0450E+01 1.7360E+01 H1 1274 1.008000 0.423800 -9.1120E+00 1.0749E+01 1.6461E+01 H2 1275 1.008000 0.423800 -9.3906E+00 9.7268E+00 1.7704E+01 O6 1276 15.999400 -0.847600 1.0738E+01 6.6316E+00 -1.7232E+01 H1 1277 1.008000 0.423800 1.1452E+01 6.6061E+00 -1.6532E+01 H2 1278 1.008000 0.423800 9.9722E+00 7.1863E+00 -1.6907E+01 O6 1279 15.999400 -0.847600 -1.5046E+01 1.4966E+01 -5.3264E+00 H1 1280 1.008000 0.423800 -1.4610E+01 1.5643E+01 -5.9191E+00 H2 1281 1.008000 0.423800 -1.5330E+01 1.5403E+01 -4.4730E+00 O6 1282 15.999400 -0.847600 -1.5855E+01 -1.2464E+01 -1.3386E+01 H1 1283 1.008000 0.423800 -1.6337E+01 -1.1704E+01 -1.3823E+01 H2 1284 1.008000 0.423800 -1.6040E+01 -1.2455E+01 -1.2403E+01 O6 1285 15.999400 -0.847600 -1.4685E+01 -3.4216E+00 -5.3654E+00 H1 1286 1.008000 0.423800 -1.5563E+01 -3.4820E+00 -4.8896E+00 H2 1287 1.008000 0.423800 -1.4493E+01 -4.2905E+00 -5.8215E+00 O6 1288 15.999400 -0.847600 -1.1868E+01 -4.7770E+00 -6.0070E+00 H1 1289 1.008000 0.423800 -1.2818E+01 -4.9548E+00 -6.2610E+00 H2 1290 1.008000 0.423800 -1.1682E+01 -3.7966E+00 -6.0747E+00 O6 1291 15.999400 -0.847600 2.0029E+00 1.7887E+01 -1.0715E+01 H1 1292 1.008000 0.423800 1.5124E+00 1.8469E+01 -1.1364E+01 H2 1293 1.008000 0.423800 2.9155E+00 1.8263E+01 -1.0554E+01 O6 1294 15.999400 -0.847600 7.2536E+00 1.8244E+01 1.6963E+01 H1 1295 1.008000 0.423800 8.0497E+00 1.8669E+01 1.7394E+01 H2 1296 1.008000 0.423800 7.0437E+00 1.7383E+01 1.7427E+01 O6 1297 15.999400 -0.847600 -6.0282E+00 1.6546E+01 6.9651E+00 H1 1298 1.008000 0.423800 -6.9686E+00 1.6486E+01 6.6306E+00 H2 1299 1.008000 0.423800 -5.3956E+00 1.6324E+01 6.2230E+00 O6 1300 15.999400 -0.847600 -9.7471E-01 -8.8526E+00 -1.2196E+01 H1 1301 1.008000 0.423800 -1.6052E+00 -9.3207E+00 -1.1577E+01 H2 1302 1.008000 0.423800 -5.6371E-01 -9.5182E+00 -1.2819E+01 O6 1303 15.999400 -0.847600 1.5621E+00 -6.1419E+00 9.9156E-01 H1 1304 1.008000 0.423800 1.3392E+00 -5.3992E+00 3.6014E-01 H2 1305 1.008000 0.423800 7.1823E-01 -6.5781E+00 1.3041E+00 O6 1306 15.999400 -0.847600 1.6887E+01 -3.9514E+00 -1.8535E+01 H1 1307 1.008000 0.423800 1.7727E+01 -4.4546E+00 -1.8335E+01 H2 1308 1.008000 0.423800 1.6109E+01 -4.5797E+00 -1.8513E+01 O6 1309 15.999400 -0.847600 7.8424E+00 -1.7884E+01 -1.5016E+01 H1 1310 1.008000 0.423800 8.4831E+00 -1.8473E+01 -1.5508E+01 H2 1311 1.008000 0.423800 8.1578E+00 -1.6936E+01 -1.5062E+01 O6 1312 15.999400 -0.847600 8.9168E-01 -6.0627E+00 1.4850E+01 H1 1313 1.008000 0.423800 9.3066E-01 -5.2218E+00 1.4310E+01 H2 1314 1.008000 0.423800 1.3515E-01 -6.0058E+00 1.5501E+01 O6 1315 15.999400 -0.847600 1.2940E+01 -9.3587E+00 1.3894E+01 H1 1316 1.008000 0.423800 1.3766E+01 -9.9141E+00 1.3791E+01 H2 1317 1.008000 0.423800 1.2422E+01 -9.3697E+00 1.3039E+01 O6 1318 15.999400 -0.847600 -1.0223E+01 1.3615E+01 1.0822E+01 H1 1319 1.008000 0.423800 -1.1206E+01 1.3792E+01 1.0764E+01 H2 1320 1.008000 0.423800 -9.7445E+00 1.4464E+01 1.1047E+01 O6 1321 15.999400 -0.847600 -3.2283E+00 -4.1570E+00 1.7624E+01 H1 1322 1.008000 0.423800 -3.5689E+00 -4.4464E+00 1.8518E+01 H2 1323 1.008000 0.423800 -3.4580E+00 -3.1952E+00 1.7475E+01 O6 1324 15.999400 -0.847600 -2.5716E+00 1.4620E+01 -1.7640E+00 H1 1325 1.008000 0.423800 -2.6868E+00 1.5300E+01 -2.4890E+00 H2 1326 1.008000 0.423800 -1.6347E+00 1.4659E+01 -1.4167E+00 O6 1327 15.999400 -0.847600 -4.7058E+00 -6.2070E+00 1.6263E+01 H1 1328 1.008000 0.423800 -3.8508E+00 -5.9013E+00 1.6682E+01 H2 1329 1.008000 0.423800 -4.6952E+00 -7.2029E+00 1.6173E+01 O6 1330 15.999400 -0.847600 1.4102E+01 -1.2119E+01 8.6526E+00 H1 1331 1.008000 0.423800 1.5037E+01 -1.1863E+01 8.4066E+00 H2 1332 1.008000 0.423800 1.3474E+01 -1.1815E+01 7.9363E+00 O6 1333 15.999400 -0.847600 -4.4598E+00 -1.8138E+01 -7.6775E+00 H1 1334 1.008000 0.423800 -3.7456E+00 -1.7873E+01 -7.0295E+00 H2 1335 1.008000 0.423800 -5.3513E+00 -1.8095E+01 -7.2267E+00 O6 1336 15.999400 -0.847600 -1.6081E+01 -1.2832E+01 -1.0653E+01 H1 1337 1.008000 0.423800 -1.6832E+01 -1.3487E+01 -1.0565E+01 H2 1338 1.008000 0.423800 -1.5223E+01 -1.3271E+01 -1.0386E+01 O6 1339 15.999400 -0.847600 1.8878E+01 8.7049E+00 7.0404E+00 H1 1340 1.008000 0.423800 1.7901E+01 8.9139E+00 7.0775E+00 H2 1341 1.008000 0.423800 1.9013E+01 7.8205E+00 6.5937E+00 O6 1342 15.999400 -0.847600 -5.4675E+00 1.3185E+01 -1.3286E+01 H1 1343 1.008000 0.423800 -5.3380E+00 1.2228E+01 -1.3027E+01 H2 1344 1.008000 0.423800 -4.7140E+00 1.3733E+01 -1.2923E+01 O6 1345 15.999400 -0.847600 1.9526E+01 -1.2983E+01 3.9592E+00 H1 1346 1.008000 0.423800 1.8906E+01 -1.2628E+01 3.2598E+00 H2 1347 1.008000 0.423800 -1.8976E+01 -1.3677E+01 3.5547E+00 O6 1348 15.999400 -0.847600 1.0557E+01 -1.3687E+01 1.8905E+01 H1 1349 1.008000 0.423800 1.1255E+01 -1.3481E+01 -1.9505E+01 H2 1350 1.008000 0.423800 1.0998E+01 -1.4029E+01 1.8075E+01 O6 1351 15.999400 -0.847600 8.3848E+00 1.1630E+01 -1.4579E+01 H1 1352 1.008000 0.423800 8.4793E+00 1.2354E+01 -1.3895E+01 H2 1353 1.008000 0.423800 7.9193E+00 1.0845E+01 -1.4171E+01 O6 1354 15.999400 -0.847600 -4.1588E+00 -2.5497E+00 4.6792E+00 H1 1355 1.008000 0.423800 -5.0646E+00 -2.4425E+00 4.2692E+00 H2 1356 1.008000 0.423800 -3.4574E+00 -2.3648E+00 3.9909E+00 O6 1357 15.999400 -0.847600 5.3623E+00 2.3630E+00 -1.9523E+01 H1 1358 1.008000 0.423800 4.8139E+00 3.1178E+00 -1.9163E+01 H2 1359 1.008000 0.423800 5.7935E+00 2.6438E+00 1.8717E+01 O6 1360 15.999400 -0.847600 -1.2147E+01 2.8050E+00 -1.2583E+01 H1 1361 1.008000 0.423800 -1.3118E+01 2.5708E+00 -1.2634E+01 H2 1362 1.008000 0.423800 -1.1638E+01 2.0361E+00 -1.2196E+01 O6 1363 15.999400 -0.847600 -4.7591E+00 4.6639E-01 7.5483E+00 H1 1364 1.008000 0.423800 -5.4376E+00 -8.4804E-02 7.0626E+00 H2 1365 1.008000 0.423800 -4.5702E+00 1.2983E+00 7.0265E+00 O6 1366 15.999400 -0.847600 5.7274E+00 -1.8251E+01 1.0041E+01 H1 1367 1.008000 0.423800 5.0882E+00 -1.8710E+01 1.0658E+01 H2 1368 1.008000 0.423800 5.5927E+00 -1.7262E+01 1.0098E+01 O6 1369 15.999400 -0.847600 -7.6769E+00 -7.0957E-01 -3.7071E+00 H1 1370 1.008000 0.423800 -6.8857E+00 -1.0708E+00 -3.2136E+00 H2 1371 1.008000 0.423800 -7.4107E+00 -4.8440E-01 -4.6443E+00 O6 1372 15.999400 -0.847600 6.5516E-01 -1.4270E+01 1.2770E+00 H1 1373 1.008000 0.423800 4.1461E-01 -1.4992E+01 1.9266E+00 H2 1374 1.008000 0.423800 7.3570E-03 -1.4278E+01 5.1527E-01 O6 1375 15.999400 -0.847600 -1.4057E+01 1.9047E+01 8.6263E+00 H1 1376 1.008000 0.423800 -1.4152E+01 1.8126E+01 8.2471E+00 H2 1377 1.008000 0.423800 -1.4774E+01 -1.9461E+01 8.2541E+00 O6 1378 15.999400 -0.847600 1.7213E+01 -1.8504E+00 1.9157E+01 H1 1379 1.008000 0.423800 1.7034E+01 -2.6497E+00 -1.9366E+01 H2 1380 1.008000 0.423800 1.6539E+01 -1.8119E+00 1.8420E+01 O6 1381 15.999400 -0.847600 1.8778E+01 3.6294E+00 -5.7836E+00 H1 1382 1.008000 0.423800 -1.9438E+01 3.4961E+00 -6.2357E+00 H2 1383 1.008000 0.423800 1.8040E+01 3.4983E+00 -6.4462E+00 O6 1384 15.999400 -0.847600 -1.7637E+01 1.3552E+01 3.3723E+00 H1 1385 1.008000 0.423800 -1.7077E+01 1.3156E+01 2.6447E+00 H2 1386 1.008000 0.423800 -1.7523E+01 1.4545E+01 3.3786E+00 O6 1387 15.999400 -0.847600 1.9124E+01 -1.0536E+01 -9.5324E+00 H1 1388 1.008000 0.423800 1.8802E+01 -1.1476E+01 -9.4193E+00 H2 1389 1.008000 0.423800 1.9111E+01 -1.0071E+01 -8.6473E+00 O6 1390 15.999400 -0.847600 -1.8335E+01 1.7473E+01 -9.0589E+00 H1 1391 1.008000 0.423800 -1.7553E+01 1.8081E+01 -8.9239E+00 H2 1392 1.008000 0.423800 -1.8008E+01 1.6556E+01 -9.2891E+00 O6 1393 15.999400 -0.847600 1.3730E+01 8.0031E+00 -9.8276E+00 H1 1394 1.008000 0.423800 1.3710E+01 7.8588E+00 -1.0817E+01 H2 1395 1.008000 0.423800 1.2932E+01 8.5388E+00 -9.5530E+00 O6 1396 15.999400 -0.847600 -8.6578E+00 1.5874E+01 8.6598E-01 H1 1397 1.008000 0.423800 -8.9934E+00 1.5428E+01 1.6962E+00 H2 1398 1.008000 0.423800 -9.1728E+00 1.5539E+01 7.6877E-02 O6 1399 15.999400 -0.847600 2.5063E-01 -1.7682E+01 -3.1778E+00 H1 1400 1.008000 0.423800 -5.2977E-02 -1.6901E+01 -3.7228E+00 H2 1401 1.008000 0.423800 -5.2433E-01 -1.8291E+01 -3.0074E+00 O6 1402 15.999400 -0.847600 5.9568E+00 -6.4353E+00 2.6983E+00 H1 1403 1.008000 0.423800 5.6235E+00 -5.7139E+00 3.3054E+00 H2 1404 1.008000 0.423800 6.2040E+00 -7.2388E+00 3.2399E+00 O6 1405 15.999400 -0.847600 1.0701E+01 6.2760E+00 -9.8872E+00 H1 1406 1.008000 0.423800 1.0137E+01 7.0106E+00 -1.0265E+01 H2 1407 1.008000 0.423800 1.0704E+01 6.3383E+00 -8.8892E+00 O6 1408 15.999400 -0.847600 -6.1502E+00 1.2608E+01 5.4800E+00 H1 1409 1.008000 0.423800 -6.2742E+00 1.3483E+01 5.0119E+00 H2 1410 1.008000 0.423800 -5.7298E+00 1.1951E+01 4.8537E+00 O6 1411 15.999400 -0.847600 -1.0509E+01 1.0178E+01 -1.3191E+01 H1 1412 1.008000 0.423800 -9.9679E+00 1.0947E+01 -1.3532E+01 H2 1413 1.008000 0.423800 -1.0476E+01 1.0164E+01 -1.2192E+01 O6 1414 15.999400 -0.847600 1.8072E+01 -9.3766E+00 -1.3658E+01 H1 1415 1.008000 0.423800 1.7939E+01 -8.3883E+00 -1.3732E+01 H2 1416 1.008000 0.423800 1.7399E+01 -9.8472E+00 -1.4229E+01 O6 1417 15.999400 -0.847600 -1.1867E+01 2.5947E+00 1.0781E+01 H1 1418 1.008000 0.423800 -1.1322E+01 3.4303E+00 1.0715E+01 H2 1419 1.008000 0.423800 -1.2823E+01 2.8031E+00 1.0574E+01 O6 1420 15.999400 -0.847600 -1.7580E+01 1.3141E+01 -2.7040E+00 H1 1421 1.008000 0.423800 -1.7759E+01 1.3411E+01 -3.6503E+00 H2 1422 1.008000 0.423800 -1.6902E+01 1.2406E+01 -2.6893E+00 O6 1423 15.999400 -0.847600 1.9019E+00 1.8392E+01 5.6875E+00 H1 1424 1.008000 0.423800 2.3491E+00 1.7587E+01 5.2969E+00 H2 1425 1.008000 0.423800 1.2915E+00 1.8108E+01 6.4269E+00 O6 1426 15.999400 -0.847600 -4.6943E+00 -7.7211E+00 5.8909E-01 H1 1427 1.008000 0.423800 -5.4649E+00 -7.6602E+00 -4.5370E-02 H2 1428 1.008000 0.423800 -3.8461E+00 -7.5066E+00 1.0482E-01 O6 1429 15.999400 -0.847600 2.6083E+00 -8.2418E+00 1.6931E+01 H1 1430 1.008000 0.423800 2.5312E+00 -8.3268E+00 1.5938E+01 H2 1431 1.008000 0.423800 3.4758E+00 -8.6371E+00 1.7233E+01 O6 1432 15.999400 -0.847600 -3.9689E-01 -2.7323E+00 1.7007E+01 H1 1433 1.008000 0.423800 -3.8665E-01 -3.5083E+00 1.6376E+01 H2 1434 1.008000 0.423800 -8.6845E-01 -1.9613E+00 1.6579E+01 O6 1435 15.999400 -0.847600 -1.7753E+01 1.6431E+00 9.0210E+00 H1 1436 1.008000 0.423800 -1.8073E+01 1.4860E+00 8.0865E+00 H2 1437 1.008000 0.423800 -1.6753E+01 1.6351E+00 9.0370E+00 O6 1438 15.999400 -0.847600 -5.1303E+00 6.8683E+00 -1.7977E+01 H1 1439 1.008000 0.423800 -6.0768E+00 7.1418E+00 -1.7806E+01 H2 1440 1.008000 0.423800 -5.0740E+00 6.3944E+00 -1.8856E+01 O6 1441 15.999400 -0.847600 -1.0636E+01 1.2522E+01 -8.5928E+00 H1 1442 1.008000 0.423800 -1.0608E+01 1.1760E+01 -7.9464E+00 H2 1443 1.008000 0.423800 -1.1337E+01 1.3176E+01 -8.3069E+00 O6 1444 15.999400 -0.847600 -5.1348E-01 -3.5312E-01 -2.8724E+00 H1 1445 1.008000 0.423800 -8.8163E-01 -2.4465E-01 -3.7958E+00 H2 1446 1.008000 0.423800 -4.2885E-02 -1.2327E+00 -2.8024E+00 O6 1447 15.999400 -0.847600 1.4357E+01 1.3910E+01 -7.7546E+00 H1 1448 1.008000 0.423800 1.5267E+01 1.3615E+01 -8.0456E+00 H2 1449 1.008000 0.423800 1.4442E+01 1.4558E+01 -6.9976E+00 O6 1450 15.999400 -0.847600 1.0582E+01 -1.7148E+01 -4.1694E+00 H1 1451 1.008000 0.423800 1.0094E+01 -1.7898E+01 -3.7240E+00 H2 1452 1.008000 0.423800 1.0864E+01 -1.6479E+01 -3.4818E+00 O6 1453 15.999400 -0.847600 3.9673E+00 6.6758E+00 -9.2929E+00 H1 1454 1.008000 0.423800 4.9461E+00 6.6258E+00 -9.0941E+00 H2 1455 1.008000 0.423800 3.4603E+00 6.8047E+00 -8.4406E+00 O6 1456 15.999400 -0.847600 1.3386E+01 -5.0741E-01 -6.1261E+00 H1 1457 1.008000 0.423800 1.3749E+01 -1.7225E-01 -5.2566E+00 H2 1458 1.008000 0.423800 1.3672E+01 -1.4558E+00 -6.2631E+00 O6 1459 15.999400 -0.847600 1.3265E+01 1.2042E+01 -3.8711E+00 H1 1460 1.008000 0.423800 1.3350E+01 1.1877E+01 -4.8538E+00 H2 1461 1.008000 0.423800 1.2807E+01 1.2917E+01 -3.7185E+00 O6 1462 15.999400 -0.847600 1.0854E+01 1.9276E+01 1.6537E+01 H1 1463 1.008000 0.423800 1.0471E+01 1.9496E+01 1.7435E+01 H2 1464 1.008000 0.423800 1.0655E+01 1.8322E+01 1.6315E+01 O6 1465 15.999400 -0.847600 -1.2017E+01 2.6126E+00 -1.4040E+00 H1 1466 1.008000 0.423800 -1.1163E+01 2.5013E+00 -8.9609E-01 H2 1467 1.008000 0.423800 -1.1990E+01 3.4695E+00 -1.9186E+00 O6 1468 15.999400 -0.847600 5.0999E+00 5.5859E+00 8.1776E+00 H1 1469 1.008000 0.423800 5.0410E+00 5.1641E+00 7.2728E+00 H2 1470 1.008000 0.423800 4.1792E+00 5.7131E+00 8.5465E+00 O6 1471 15.999400 -0.847600 1.8760E+01 1.8124E+01 5.2812E+00 H1 1472 1.008000 0.423800 1.9289E+01 1.8968E+01 5.3700E+00 H2 1473 1.008000 0.423800 1.8251E+01 1.8139E+01 4.4202E+00 O6 1474 15.999400 -0.847600 1.7784E+01 1.4054E+01 1.7622E+01 H1 1475 1.008000 0.423800 1.8100E+01 1.5003E+01 1.7658E+01 H2 1476 1.008000 0.423800 1.6907E+01 1.3977E+01 1.8095E+01 O6 1477 15.999400 -0.847600 5.2019E+00 1.3490E+01 -7.0412E+00 H1 1478 1.008000 0.423800 4.3221E+00 1.3055E+01 -6.8487E+00 H2 1479 1.008000 0.423800 5.3946E+00 1.3432E+01 -8.0208E+00 O6 1480 15.999400 -0.847600 -6.9156E+00 -7.7346E+00 -7.8666E-01 H1 1481 1.008000 0.423800 -7.2060E+00 -8.3810E+00 -8.1079E-02 H2 1482 1.008000 0.423800 -7.5231E+00 -7.8094E+00 -1.5775E+00 O6 1483 15.999400 -0.847600 6.1907E+00 -1.7552E+01 -6.2522E+00 H1 1484 1.008000 0.423800 5.9661E+00 -1.8352E+01 -5.6952E+00 H2 1485 1.008000 0.423800 6.2715E+00 -1.7826E+01 -7.2106E+00 O6 1486 15.999400 -0.847600 -1.9275E+01 1.6662E+01 -1.1674E+01 H1 1487 1.008000 0.423800 1.9454E+01 1.7219E+01 -1.0930E+01 H2 1488 1.008000 0.423800 -1.9350E+01 1.5694E+01 -1.1435E+01 O6 1489 15.999400 -0.847600 1.4853E+01 -4.8341E+00 -4.5138E+00 H1 1490 1.008000 0.423800 1.5012E+01 -5.7776E+00 -4.8041E+00 H2 1491 1.008000 0.423800 1.3932E+01 -4.5538E+00 -4.7841E+00 O6 1492 15.999400 -0.847600 -1.5264E+01 7.2628E+00 1.7665E+01 H1 1493 1.008000 0.423800 -1.4943E+01 6.8446E+00 1.8514E+01 H2 1494 1.008000 0.423800 -1.5910E+01 6.6468E+00 1.7213E+01 O6 1495 15.999400 -0.847600 -9.8784E+00 -1.5013E+01 -1.8782E+01 H1 1496 1.008000 0.423800 -1.0522E+01 -1.4469E+01 -1.9321E+01 H2 1497 1.008000 0.423800 -1.0377E+01 -1.5725E+01 -1.8287E+01 O6 1498 15.999400 -0.847600 1.7878E+01 9.5792E+00 -3.1592E+00 H1 1499 1.008000 0.423800 1.8542E+01 8.9307E+00 -3.5308E+00 H2 1500 1.008000 0.423800 1.8177E+01 9.8814E+00 -2.2543E+00 O6 1501 15.999400 -0.847600 1.6067E+01 9.4222E+00 6.9791E+00 H1 1502 1.008000 0.423800 1.6045E+01 1.0359E+01 6.6306E+00 H2 1503 1.008000 0.423800 1.5671E+01 9.3988E+00 7.8971E+00 O6 1504 15.999400 -0.847600 -2.9383E+00 -1.8371E+01 -8.7978E-01 H1 1505 1.008000 0.423800 -2.2784E+00 -1.7739E+01 -4.7322E-01 H2 1506 1.008000 0.423800 -3.5814E+00 -1.8678E+01 -1.7827E-01 O6 1507 15.999400 -0.847600 1.8591E+01 -1.7436E+01 -9.6054E+00 H1 1508 1.008000 0.423800 1.8589E+01 -1.7277E+01 -8.6182E+00 H2 1509 1.008000 0.423800 1.8279E+01 -1.8367E+01 -9.7933E+00 O6 1510 15.999400 -0.847600 -9.1757E+00 9.0475E+00 7.9034E+00 H1 1511 1.008000 0.423800 -9.2292E+00 8.1715E+00 7.4241E+00 H2 1512 1.008000 0.423800 -9.6097E+00 9.7577E+00 7.3492E+00 O6 1513 15.999400 -0.847600 1.5549E+01 -1.1387E+01 3.4003E+00 H1 1514 1.008000 0.423800 1.5028E+01 -1.2238E+01 3.4642E+00 H2 1515 1.008000 0.423800 1.5641E+01 -1.0983E+01 4.3106E+00 O6 1516 15.999400 -0.847600 -1.6497E-01 -1.0252E+01 6.8778E+00 H1 1517 1.008000 0.423800 -6.5344E-01 -9.6666E+00 7.5253E+00 H2 1518 1.008000 0.423800 2.1539E-01 -9.6902E+00 6.1429E+00 O6 1519 15.999400 -0.847600 1.5197E+01 -5.8771E+00 -1.8234E+01 H1 1520 1.008000 0.423800 1.4506E+01 -5.6962E+00 -1.7534E+01 H2 1521 1.008000 0.423800 1.5874E+01 -6.5192E+00 -1.7875E+01 O6 1522 15.999400 -0.847600 -1.8215E+01 -1.4437E+01 -1.0117E+01 H1 1523 1.008000 0.423800 -1.7776E+01 -1.5225E+01 -9.6859E+00 H2 1524 1.008000 0.423800 -1.8836E+01 -1.4003E+01 -9.4647E+00 O6 1525 15.999400 -0.847600 -6.5863E+00 -5.3787E+00 1.8143E+01 H1 1526 1.008000 0.423800 -5.8289E+00 -5.9265E+00 1.7787E+01 H2 1527 1.008000 0.423800 -7.3996E+00 -5.9535E+00 1.8233E+01 O6 1528 15.999400 -0.847600 1.2311E+01 1.4908E+01 9.9958E+00 H1 1529 1.008000 0.423800 1.1524E+01 1.5510E+01 1.0128E+01 H2 1530 1.008000 0.423800 1.2351E+01 1.4243E+01 1.0741E+01 O6 1531 15.999400 -0.847600 4.9685E+00 3.9913E+00 5.8634E+00 H1 1532 1.008000 0.423800 4.8214E+00 3.0956E+00 5.4438E+00 H2 1533 1.008000 0.423800 4.6800E+00 4.7081E+00 5.2286E+00 O6 1534 15.999400 -0.847600 -9.0305E+00 -1.3076E+01 -6.7748E+00 H1 1535 1.008000 0.423800 -8.6104E+00 -1.3487E+01 -5.9657E+00 H2 1536 1.008000 0.423800 -1.0018E+01 -1.3004E+01 -6.6371E+00 O6 1537 15.999400 -0.847600 -1.7900E+01 -1.7109E+01 -5.0938E-01 H1 1538 1.008000 0.423800 -1.8491E+01 -1.6786E+01 2.2994E-01 H2 1539 1.008000 0.423800 -1.8187E+01 -1.8025E+01 -7.8950E-01 O6 1540 15.999400 -0.847600 8.2460E+00 -1.2053E+01 9.5346E+00 H1 1541 1.008000 0.423800 7.5667E+00 -1.1628E+01 1.0133E+01 H2 1542 1.008000 0.423800 7.8215E+00 -1.2282E+01 8.6587E+00 O6 1543 15.999400 -0.847600 1.3642E+01 1.9006E+01 1.6472E+01 H1 1544 1.008000 0.423800 1.4058E+01 1.8719E+01 1.5610E+01 H2 1545 1.008000 0.423800 1.2674E+01 1.9207E+01 1.6325E+01 O6 1546 15.999400 -0.847600 -1.4505E-01 7.2530E+00 -7.2102E+00 H1 1547 1.008000 0.423800 -4.2027E-01 8.2140E+00 -7.2403E+00 H2 1548 1.008000 0.423800 -4.2803E-01 6.7987E+00 -8.0549E+00 O6 1549 15.999400 -0.847600 1.6062E+01 3.3788E+00 -8.9881E-01 H1 1550 1.008000 0.423800 1.6326E+01 2.4278E+00 -1.0594E+00 H2 1551 1.008000 0.423800 1.6756E+01 3.9871E+00 -1.2839E+00 O6 1552 15.999400 -0.847600 1.4153E+01 1.8774E+01 -8.1699E+00 H1 1553 1.008000 0.423800 1.4289E+01 -1.9338E+01 -8.0602E+00 H2 1554 1.008000 0.423800 1.3584E+01 1.8604E+01 -8.9743E+00 O6 1555 15.999400 -0.847600 1.6978E+01 1.3081E+01 8.5260E+00 H1 1556 1.008000 0.423800 1.7926E+01 1.3270E+01 8.2686E+00 H2 1557 1.008000 0.423800 1.6665E+01 1.3772E+01 9.1769E+00 O6 1558 15.999400 -0.847600 1.7682E+01 -1.2530E+01 2.1303E+00 H1 1559 1.008000 0.423800 1.7323E+01 -1.3370E+01 1.7226E+00 H2 1560 1.008000 0.423800 1.6930E+01 -1.2003E+01 2.5251E+00 O6 1561 15.999400 -0.847600 1.0660E+01 5.9217E+00 -4.8865E+00 H1 1562 1.008000 0.423800 1.0548E+01 6.3004E+00 -5.8051E+00 H2 1563 1.008000 0.423800 1.1631E+01 5.9123E+00 -4.6466E+00 O6 1564 15.999400 -0.847600 -1.3669E+01 1.1011E+01 -1.9151E+01 H1 1565 1.008000 0.423800 -1.3912E+01 1.1110E+01 1.8982E+01 H2 1566 1.008000 0.423800 -1.3530E+01 1.0043E+01 -1.8940E+01 O6 1567 15.999400 -0.847600 -1.4282E+00 -9.9630E+00 -1.8193E+01 H1 1568 1.008000 0.423800 -1.8656E+00 -9.6780E+00 -1.9046E+01 H2 1569 1.008000 0.423800 -1.3134E+00 -1.0956E+01 -1.8193E+01 O6 1570 15.999400 -0.847600 -1.0918E+01 1.2091E+00 -8.6791E+00 H1 1571 1.008000 0.423800 -9.9874E+00 1.4209E+00 -8.3812E+00 H2 1572 1.008000 0.423800 -1.1400E+01 7.2557E-01 -7.9483E+00 O6 1573 15.999400 -0.847600 -9.6959E+00 -2.2163E+00 -1.9236E+01 H1 1574 1.008000 0.423800 -9.4574E+00 -2.8925E+00 -1.8539E+01 H2 1575 1.008000 0.423800 -9.4631E+00 -2.5737E+00 1.8957E+01 O6 1576 15.999400 -0.847600 2.0083E+00 -1.3195E+01 -1.6689E+01 H1 1577 1.008000 0.423800 2.4778E+00 -1.3261E+01 -1.5808E+01 H2 1578 1.008000 0.423800 1.0328E+00 -1.3037E+01 -1.6535E+01 O6 1579 15.999400 -0.847600 -1.3254E+01 1.7656E+00 2.2764E+00 H1 1580 1.008000 0.423800 -1.2894E+01 8.5273E-01 2.4697E+00 H2 1581 1.008000 0.423800 -1.2766E+01 2.4402E+00 2.8300E+00 O6 1582 15.999400 -0.847600 -1.2666E+01 -7.1139E+00 1.0666E+01 H1 1583 1.008000 0.423800 -1.2210E+01 -6.5285E+00 9.9953E+00 H2 1584 1.008000 0.423800 -1.1995E+01 -7.7257E+00 1.1085E+01 O6 1585 15.999400 -0.847600 -2.9731E+00 -1.8032E+01 -5.0425E+00 H1 1586 1.008000 0.423800 -2.5023E+00 -1.7152E+01 -5.1021E+00 H2 1587 1.008000 0.423800 -3.8893E+00 -1.7895E+01 -4.6659E+00 O6 1588 15.999400 -0.847600 1.6535E+01 1.5665E+01 9.2072E+00 H1 1589 1.008000 0.423800 1.5666E+01 1.5562E+01 8.7229E+00 H2 1590 1.008000 0.423800 1.7108E+01 1.6329E+01 8.7266E+00 O6 1591 15.999400 -0.847600 -5.5137E+00 -1.7542E+01 -4.2590E+00 H1 1592 1.008000 0.423800 -5.9167E+00 -1.7109E+01 -3.4525E+00 H2 1593 1.008000 0.423800 -6.2421E+00 -1.7878E+01 -4.8559E+00 O6 1594 15.999400 -0.847600 3.9529E+00 1.5771E+01 1.8132E+01 H1 1595 1.008000 0.423800 3.5650E+00 1.5951E+01 1.9036E+01 H2 1596 1.008000 0.423800 4.3829E+00 1.4868E+01 1.8129E+01 O6 1597 15.999400 -0.847600 1.8726E+01 -3.3680E+00 1.5084E+01 H1 1598 1.008000 0.423800 1.9535E+01 -3.9430E+00 1.4965E+01 H2 1599 1.008000 0.423800 1.8421E+01 -3.0342E+00 1.4192E+01 O6 1600 15.999400 -0.847600 1.7513E+01 -6.7771E+00 -1.3410E+01 H1 1601 1.008000 0.423800 1.6809E+01 -6.2591E+00 -1.3896E+01 H2 1602 1.008000 0.423800 1.7557E+01 -6.4690E+00 -1.2460E+01 O6 1603 15.999400 -0.847600 -1.5086E+01 -5.6646E+00 3.2844E-01 H1 1604 1.008000 0.423800 -1.4990E+01 -6.6375E+00 1.1789E-01 H2 1605 1.008000 0.423800 -1.4238E+01 -5.1882E+00 9.5864E-02 O6 1606 15.999400 -0.847600 -7.4569E-01 1.0594E+01 1.0469E+01 H1 1607 1.008000 0.423800 -2.3218E-01 1.0090E+01 9.7750E+00 H2 1608 1.008000 0.423800 -1.6184E+00 1.0895E+01 1.0084E+01 O6 1609 15.999400 -0.847600 -4.2384E+00 1.0952E+01 1.5435E+01 H1 1610 1.008000 0.423800 -5.1617E+00 1.0924E+01 1.5818E+01 H2 1611 1.008000 0.423800 -3.9282E+00 1.0021E+01 1.5244E+01 O6 1612 15.999400 -0.847600 -1.0382E+00 -5.2136E+00 -4.8040E+00 H1 1613 1.008000 0.423800 -8.8299E-02 -5.4487E+00 -4.5979E+00 H2 1614 1.008000 0.423800 -1.5732E+00 -6.0516E+00 -4.9110E+00 O6 1615 15.999400 -0.847600 1.1581E+01 1.9123E+01 -1.5496E+01 H1 1616 1.008000 0.423800 1.2208E+01 -1.9202E+01 -1.5597E+01 H2 1617 1.008000 0.423800 1.0734E+01 1.9313E+01 -1.5992E+01 O6 1618 15.999400 -0.847600 1.3633E+01 -1.4757E+00 -1.8519E+00 H1 1619 1.008000 0.423800 1.2898E+01 -1.5460E+00 -1.1772E+00 H2 1620 1.008000 0.423800 1.4243E+01 -2.2634E+00 -1.7639E+00 O6 1621 15.999400 -0.847600 1.7921E+01 1.6551E+01 1.8262E+01 H1 1622 1.008000 0.423800 1.7830E+01 1.6483E+01 1.9255E+01 H2 1623 1.008000 0.423800 1.8028E+01 1.7510E+01 1.8002E+01 O6 1624 15.999400 -0.847600 -2.3757E+00 1.2307E+01 -1.4837E+01 H1 1625 1.008000 0.423800 -1.3955E+00 1.2127E+01 -1.4920E+01 H2 1626 1.008000 0.423800 -2.5204E+00 1.3096E+01 -1.4239E+01 O6 1627 15.999400 -0.847600 -6.2947E-01 3.5996E+00 5.7146E+00 H1 1628 1.008000 0.423800 -1.2025E+00 4.3325E+00 6.0815E+00 H2 1629 1.008000 0.423800 2.0031E-01 3.5173E+00 6.2665E+00 O6 1630 15.999400 -0.847600 -6.7767E+00 -7.9970E+00 -1.8601E+01 H1 1631 1.008000 0.423800 -7.6431E+00 -7.6188E+00 -1.8275E+01 H2 1632 1.008000 0.423800 -6.0179E+00 -7.5387E+00 -1.8139E+01 O6 1633 15.999400 -0.847600 -1.3706E+01 5.3997E-02 -1.8119E+01 H1 1634 1.008000 0.423800 -1.2746E+01 -1.8569E-01 -1.7974E+01 H2 1635 1.008000 0.423800 -1.4269E+01 -7.6980E-01 -1.8052E+01 O6 1636 15.999400 -0.847600 -1.2755E+01 -1.5554E+01 -1.2897E+01 H1 1637 1.008000 0.423800 -1.2346E+01 -1.5659E+01 -1.3804E+01 H2 1638 1.008000 0.423800 -1.3406E+01 -1.6296E+01 -1.2737E+01 O6 1639 15.999400 -0.847600 -3.4355E+00 -9.7902E+00 1.8088E+00 H1 1640 1.008000 0.423800 -4.0600E+00 -9.0558E+00 1.5429E+00 H2 1641 1.008000 0.423800 -2.9356E+00 -9.5208E+00 2.6318E+00 O6 1642 15.999400 -0.847600 3.8681E+00 -6.7370E+00 -9.3468E+00 H1 1643 1.008000 0.423800 3.8805E+00 -7.5446E+00 -8.7572E+00 H2 1644 1.008000 0.423800 3.3162E+00 -6.9258E+00 -1.0159E+01 O6 1645 15.999400 -0.847600 8.1669E+00 1.9390E+01 -1.1982E+01 H1 1646 1.008000 0.423800 7.4512E+00 -1.9016E+01 -1.1882E+01 H2 1647 1.008000 0.423800 8.9762E+00 -1.9291E+01 -1.2397E+01 O6 1648 15.999400 -0.847600 -6.6566E+00 -3.3657E+00 -1.4762E+01 H1 1649 1.008000 0.423800 -6.0014E+00 -3.1079E+00 -1.5472E+01 H2 1650 1.008000 0.423800 -6.7747E+00 -4.3587E+00 -1.4762E+01 O6 1651 15.999400 -0.847600 -1.4550E+00 1.4067E+01 1.4829E+01 H1 1652 1.008000 0.423800 -8.0598E-01 1.4179E+01 1.4077E+01 H2 1653 1.008000 0.423800 -1.7755E+00 1.4965E+01 1.5130E+01 O6 1654 15.999400 -0.847600 -1.8168E+01 -4.3829E+00 8.6473E+00 H1 1655 1.008000 0.423800 -1.8536E+01 -3.5703E+00 8.1958E+00 H2 1656 1.008000 0.423800 -1.8763E+01 -4.6405E+00 9.4081E+00 O6 1657 15.999400 -0.847600 -1.5968E+00 -3.3184E-01 -1.5116E+01 H1 1658 1.008000 0.423800 -2.2244E+00 -1.0155E+00 -1.5489E+01 H2 1659 1.008000 0.423800 -1.8337E+00 5.6998E-01 -1.5477E+01 O6 1660 15.999400 -0.847600 -9.7654E+00 -1.8024E+00 1.1155E+01 H1 1661 1.008000 0.423800 -8.8444E+00 -1.9679E+00 1.1508E+01 H2 1662 1.008000 0.423800 -9.7505E+00 -1.0123E+00 1.0542E+01 O6 1663 15.999400 -0.847600 -6.6906E+00 1.0165E+01 -2.1224E+00 H1 1664 1.008000 0.423800 -7.2644E+00 9.4971E+00 -2.5968E+00 H2 1665 1.008000 0.423800 -5.9664E+00 9.6878E+00 -1.6245E+00 O6 1666 15.999400 -0.847600 1.0257E+01 5.5461E+00 1.6679E+01 H1 1667 1.008000 0.423800 1.0536E+01 4.8923E+00 1.7383E+01 H2 1668 1.008000 0.423800 1.1030E+01 5.7349E+00 1.6074E+01 O6 1669 15.999400 -0.847600 -1.6153E+01 1.9234E+01 -3.1164E+00 H1 1670 1.008000 0.423800 -1.5342E+01 1.8688E+01 -2.9067E+00 H2 1671 1.008000 0.423800 -1.5942E+01 -1.9225E+01 -3.8563E+00 O6 1672 15.999400 -0.847600 1.3132E-01 -4.9929E+00 1.2117E+01 H1 1673 1.008000 0.423800 9.8550E-01 -5.5073E+00 1.2041E+01 H2 1674 1.008000 0.423800 -5.3788E-01 -5.3611E+00 1.1472E+01 O6 1675 15.999400 -0.847600 -3.5519E-01 -2.5317E+00 1.3878E+01 H1 1676 1.008000 0.423800 5.0850E-01 -2.1543E+00 1.3543E+01 H2 1677 1.008000 0.423800 -9.5094E-01 -2.7385E+00 1.3101E+01 O6 1678 15.999400 -0.847600 8.9364E+00 3.2130E+00 -1.6272E+01 H1 1679 1.008000 0.423800 7.9688E+00 3.1811E+00 -1.6021E+01 H2 1680 1.008000 0.423800 9.0649E+00 3.8599E+00 -1.7023E+01 O6 1681 15.999400 -0.847600 3.1597E-01 1.7111E+01 2.2999E+00 H1 1682 1.008000 0.423800 -8.4533E-02 1.8024E+01 2.3808E+00 H2 1683 1.008000 0.423800 2.0114E-01 1.6778E+01 1.3639E+00 O6 1684 15.999400 -0.847600 1.6861E+01 -3.9997E+00 5.4212E-01 H1 1685 1.008000 0.423800 1.7769E+01 -3.6389E+00 7.5464E-01 H2 1686 1.008000 0.423800 1.6478E+01 -3.5017E+00 -2.3599E-01 O6 1687 15.999400 -0.847600 -4.8976E+00 9.5352E+00 5.8939E+00 H1 1688 1.008000 0.423800 -5.1200E+00 1.0153E+01 6.6479E+00 H2 1689 1.008000 0.423800 -4.6431E+00 1.0070E+01 5.0884E+00 O6 1690 15.999400 -0.847600 4.0909E+00 1.4157E+01 -1.0106E+01 H1 1691 1.008000 0.423800 3.1643E+00 1.4169E+01 -9.7296E+00 H2 1692 1.008000 0.423800 4.0474E+00 1.4013E+01 -1.1094E+01 O6 1693 15.999400 -0.847600 1.2338E+01 -9.3198E+00 -1.7912E+00 H1 1694 1.008000 0.423800 1.2888E+01 -8.4961E+00 -1.9296E+00 H2 1695 1.008000 0.423800 1.1758E+01 -9.4718E+00 -2.5917E+00 O6 1696 15.999400 -0.847600 1.5004E+01 1.6137E+01 -5.8946E+00 H1 1697 1.008000 0.423800 1.5213E+01 1.5550E+01 -5.1128E+00 H2 1698 1.008000 0.423800 1.5591E+01 1.6947E+01 -5.8693E+00 O6 1699 15.999400 -0.847600 -1.2203E+01 -1.8585E+01 1.9463E+01 H1 1700 1.008000 0.423800 -1.1448E+01 -1.8501E+01 1.8813E+01 H2 1701 1.008000 0.423800 -1.1923E+01 -1.9169E+01 -1.8873E+01 O6 1702 15.999400 -0.847600 -6.0438E+00 1.7551E+01 -6.5853E+00 H1 1703 1.008000 0.423800 -5.9343E+00 1.6644E+01 -6.1796E+00 H2 1704 1.008000 0.423800 -5.2756E+00 1.7737E+01 -7.1977E+00 O6 1705 15.999400 -0.847600 -1.6195E+01 -3.4261E+00 6.0561E+00 H1 1706 1.008000 0.423800 -1.5348E+01 -3.9573E+00 6.0203E+00 H2 1707 1.008000 0.423800 -1.6937E+01 -4.0048E+00 6.3932E+00 O6 1708 15.999400 -0.847600 1.7795E+01 3.4803E+00 6.0939E+00 H1 1709 1.008000 0.423800 1.7573E+01 2.8041E+00 5.3914E+00 H2 1710 1.008000 0.423800 1.7744E+01 3.0524E+00 6.9963E+00 O6 1711 15.999400 -0.847600 1.6604E+01 1.5190E+01 3.0440E-01 H1 1712 1.008000 0.423800 1.7098E+01 1.5893E+01 -2.0744E-01 H2 1713 1.008000 0.423800 1.6020E+01 1.5625E+01 9.8992E-01 O6 1714 15.999400 -0.847600 -1.2866E+01 -1.4025E+01 2.1020E+00 H1 1715 1.008000 0.423800 -1.2433E+01 -1.4687E+01 1.4913E+00 H2 1716 1.008000 0.423800 -1.3024E+01 -1.3170E+01 1.6081E+00 O6 1717 15.999400 -0.847600 -1.6822E+01 -1.0324E+01 -1.4460E+01 H1 1718 1.008000 0.423800 -1.7447E+01 -1.0466E+01 -1.5228E+01 H2 1719 1.008000 0.423800 -1.7071E+01 -9.4828E+00 -1.3979E+01 O6 1720 15.999400 -0.847600 -1.3609E+01 1.3783E+01 1.0269E+00 H1 1721 1.008000 0.423800 -1.2860E+01 1.3699E+01 1.6850E+00 H2 1722 1.008000 0.423800 -1.3803E+01 1.2886E+01 6.2818E-01 O6 1723 15.999400 -0.847600 1.7764E+01 1.7112E+01 -1.8089E+01 H1 1724 1.008000 0.423800 1.7289E+01 1.6624E+01 -1.7357E+01 H2 1725 1.008000 0.423800 1.7529E+01 1.8083E+01 -1.8049E+01 O6 1726 15.999400 -0.847600 -1.0161E+01 -2.1075E-01 1.6664E+01 H1 1727 1.008000 0.423800 -1.0314E+01 6.2914E-01 1.7185E+01 H2 1728 1.008000 0.423800 -9.7082E+00 1.0695E-02 1.5800E+01 O6 1729 15.999400 -0.847600 8.4635E+00 1.2537E+01 -1.7474E+01 H1 1730 1.008000 0.423800 8.3440E+00 1.2147E+01 -1.6561E+01 H2 1731 1.008000 0.423800 9.0930E+00 1.1966E+01 -1.8001E+01 O6 1732 15.999400 -0.847600 -4.8152E+00 9.2911E+00 -1.9332E+01 H1 1733 1.008000 0.423800 -4.1331E+00 9.1513E+00 1.9048E+01 H2 1734 1.008000 0.423800 -5.1650E+00 8.4051E+00 -1.9028E+01 O6 1735 15.999400 -0.847600 -1.3833E+01 7.8787E+00 -8.9343E+00 H1 1736 1.008000 0.423800 -1.2973E+01 7.4792E+00 -9.2507E+00 H2 1737 1.008000 0.423800 -1.3648E+01 8.7474E+00 -8.4749E+00 O6 1738 15.999400 -0.847600 -3.1620E+00 1.5206E+01 -1.0902E+01 H1 1739 1.008000 0.423800 -2.6552E+00 1.4407E+01 -1.0579E+01 H2 1740 1.008000 0.423800 -2.5244E+00 1.5956E+01 -1.1079E+01 O6 1741 15.999400 -0.847600 -5.6805E+00 -1.0907E+01 -9.7863E+00 H1 1742 1.008000 0.423800 -5.9180E+00 -9.9416E+00 -9.6752E+00 H2 1743 1.008000 0.423800 -5.6795E+00 -1.1355E+01 -8.8922E+00 O6 1744 15.999400 -0.847600 -1.7614E+01 -1.1866E+01 8.4573E+00 H1 1745 1.008000 0.423800 -1.7923E+01 -1.1683E+01 7.5241E+00 H2 1746 1.008000 0.423800 -1.6952E+01 -1.1169E+01 8.7319E+00 O6 1747 15.999400 -0.847600 1.2286E+01 6.9892E+00 1.5221E+01 H1 1748 1.008000 0.423800 1.2832E+01 7.3374E+00 1.5983E+01 H2 1749 1.008000 0.423800 1.2108E+01 7.7297E+00 1.4573E+01 O6 1750 15.999400 -0.847600 -8.2382E+00 4.8199E+00 1.1868E+01 H1 1751 1.008000 0.423800 -7.2642E+00 4.6125E+00 1.1959E+01 H2 1752 1.008000 0.423800 -8.3663E+00 5.8111E+00 1.1837E+01 O6 1753 15.999400 -0.847600 -1.9095E+01 -1.3104E+01 -1.6983E+01 H1 1754 1.008000 0.423800 -1.8308E+01 -1.3672E+01 -1.6741E+01 H2 1755 1.008000 0.423800 1.9436E+01 -1.3586E+01 -1.7651E+01 O6 1756 15.999400 -0.847600 -7.9525E+00 1.4729E+01 -7.6989E+00 H1 1757 1.008000 0.423800 -7.2656E+00 1.4935E+01 -7.0021E+00 H2 1758 1.008000 0.423800 -8.5010E+00 1.3946E+01 -7.4044E+00 O6 1759 15.999400 -0.847600 -8.3260E+00 1.8466E+01 -5.4989E+00 H1 1760 1.008000 0.423800 -7.3773E+00 1.8251E+01 -5.7309E+00 H2 1761 1.008000 0.423800 -8.8797E+00 1.7635E+01 -5.5570E+00 O6 1762 15.999400 -0.847600 1.6824E+01 -1.2038E+01 1.3947E+01 H1 1763 1.008000 0.423800 1.6523E+01 -1.2968E+01 1.4162E+01 H2 1764 1.008000 0.423800 1.7249E+01 -1.1631E+01 1.4756E+01 O6 1765 15.999400 -0.847600 -1.0711E+00 5.6597E+00 1.5102E+01 H1 1766 1.008000 0.423800 -3.5016E-01 6.3208E+00 1.5310E+01 H2 1767 1.008000 0.423800 -1.1640E+00 5.5689E+00 1.4111E+01 O6 1768 15.999400 -0.847600 -1.9050E+01 1.2814E+01 1.8371E+01 H1 1769 1.008000 0.423800 1.9172E+01 1.3196E+01 1.8076E+01 H2 1770 1.008000 0.423800 -1.8706E+01 1.3335E+01 1.9152E+01 O6 1771 15.999400 -0.847600 9.3517E+00 -1.2440E+01 -1.7843E+00 H1 1772 1.008000 0.423800 9.0305E+00 -1.2150E+01 -8.8267E-01 H2 1773 1.008000 0.423800 8.6214E+00 -1.2935E+01 -2.2548E+00 O6 1774 15.999400 -0.847600 -3.6534E+00 1.3567E+01 -1.7036E+01 H1 1775 1.008000 0.423800 -3.9664E+00 1.3016E+01 -1.7810E+01 H2 1776 1.008000 0.423800 -3.4840E+00 1.2972E+01 -1.6250E+01 O6 1777 15.999400 -0.847600 -1.1427E+01 -2.1090E+00 -6.3186E+00 H1 1778 1.008000 0.423800 -1.1692E+01 -1.1448E+00 -6.3199E+00 H2 1779 1.008000 0.423800 -1.0948E+01 -2.3242E+00 -7.1700E+00 O6 1780 15.999400 -0.847600 -1.4744E+00 5.7556E+00 -5.1115E-01 H1 1781 1.008000 0.423800 -6.5919E-01 5.5369E+00 -1.0474E+00 H2 1782 1.008000 0.423800 -2.1171E+00 4.9908E+00 -5.5472E-01 O6 1783 15.999400 -0.847600 3.1124E+00 -1.4422E+01 1.2021E+01 H1 1784 1.008000 0.423800 2.1367E+00 -1.4260E+01 1.1873E+01 H2 1785 1.008000 0.423800 3.6123E+00 -1.3562E+01 1.1919E+01 O6 1786 15.999400 -0.847600 1.9439E+01 5.5401E+00 1.1695E+00 H1 1787 1.008000 0.423800 1.9153E+01 6.3372E+00 1.7016E+00 H2 1788 1.008000 0.423800 1.9349E+01 4.7163E+00 1.7292E+00 O6 1789 15.999400 -0.847600 3.6047E+00 -9.7749E+00 -1.1237E+01 H1 1790 1.008000 0.423800 3.9537E+00 -9.7529E+00 -1.2174E+01 H2 1791 1.008000 0.423800 4.3701E+00 -9.8510E+00 -1.0598E+01 O6 1792 15.999400 -0.847600 -1.5781E+01 1.6770E+01 -1.3739E+01 H1 1793 1.008000 0.423800 -1.6363E+01 1.6898E+01 -1.4543E+01 H2 1794 1.008000 0.423800 -1.5043E+01 1.6133E+01 -1.3961E+01 O6 1795 15.999400 -0.847600 1.6645E+01 -2.0398E+00 -1.2801E+01 H1 1796 1.008000 0.423800 1.5950E+01 -2.7055E+00 -1.2530E+01 H2 1797 1.008000 0.423800 1.7249E+01 -2.4487E+00 -1.3486E+01 O6 1798 15.999400 -0.847600 -1.5303E+00 -3.6059E-01 1.5217E+01 H1 1799 1.008000 0.423800 -1.0468E+00 -1.0205E+00 1.4642E+01 H2 1800 1.008000 0.423800 -8.6851E-01 1.5453E-01 1.5762E+01 O6 1801 15.999400 -0.847600 3.4603E+00 -1.6456E+01 -6.6963E+00 H1 1802 1.008000 0.423800 2.9018E+00 -1.7101E+01 -7.2177E+00 H2 1803 1.008000 0.423800 4.3630E+00 -1.6854E+01 -6.5321E+00 O6 1804 15.999400 -0.847600 -1.0004E+01 -1.8432E+01 1.7645E+01 H1 1805 1.008000 0.423800 -1.0109E+01 -1.7983E+01 1.6758E+01 H2 1806 1.008000 0.423800 -9.2243E+00 -1.8035E+01 1.8129E+01 O6 1807 15.999400 -0.847600 -7.4818E+00 -5.9712E+00 8.9686E+00 H1 1808 1.008000 0.423800 -7.5424E+00 -6.7415E+00 8.3338E+00 H2 1809 1.008000 0.423800 -7.0776E+00 -5.1851E+00 8.5010E+00 O6 1810 15.999400 -0.847600 -2.1718E+00 1.9176E+01 -3.0193E+00 H1 1811 1.008000 0.423800 -2.4813E+00 -1.9411E+01 -3.8213E+00 H2 1812 1.008000 0.423800 -2.5113E+00 -1.9478E+01 -2.1900E+00 O6 1813 15.999400 -0.847600 -1.9236E+01 -2.0775E+00 7.6549E+00 H1 1814 1.008000 0.423800 -1.8914E+01 -1.2650E+00 7.1687E+00 H2 1815 1.008000 0.423800 1.9320E+01 -1.7986E+00 8.4474E+00 O6 1816 15.999400 -0.847600 -1.7033E-01 1.2650E+01 -4.6945E+00 H1 1817 1.008000 0.423800 -7.0407E-01 1.2522E+01 -3.8585E+00 H2 1818 1.008000 0.423800 2.7223E-01 1.1788E+01 -4.9424E+00 O6 1819 15.999400 -0.847600 1.2744E+00 -1.5457E+00 -1.7759E+01 H1 1820 1.008000 0.423800 2.0559E+00 -1.5865E+00 -1.8382E+01 H2 1821 1.008000 0.423800 1.1463E+00 -2.4380E+00 -1.7326E+01 O6 1822 15.999400 -0.847600 1.0159E+01 -8.6922E-01 -1.1536E+01 H1 1823 1.008000 0.423800 9.8923E+00 9.5753E-03 -1.1140E+01 H2 1824 1.008000 0.423800 1.1116E+01 -1.0582E+00 -1.1313E+01 O6 1825 15.999400 -0.847600 8.9717E+00 1.1089E+01 1.1240E+01 H1 1826 1.008000 0.423800 8.8135E+00 1.2073E+01 1.1161E+01 H2 1827 1.008000 0.423800 9.1460E+00 1.0706E+01 1.0332E+01 O6 1828 15.999400 -0.847600 -3.3375E+00 6.3914E+00 3.3387E+00 H1 1829 1.008000 0.423800 -4.2164E+00 6.3095E+00 2.8687E+00 H2 1830 1.008000 0.423800 -2.6014E+00 6.1212E+00 2.7183E+00 O6 1831 15.999400 -0.847600 1.5525E+01 1.1736E+01 -1.9521E+01 H1 1832 1.008000 0.423800 1.5510E+01 1.2716E+01 1.9378E+01 H2 1833 1.008000 0.423800 1.6319E+01 1.1523E+01 -1.8952E+01 O6 1834 15.999400 -0.847600 -2.0386E+00 1.2010E+01 -2.3501E+00 H1 1835 1.008000 0.423800 -2.5398E+00 1.2875E+01 -2.3803E+00 H2 1836 1.008000 0.423800 -1.7827E+00 1.1806E+01 -1.4052E+00 O6 1837 15.999400 -0.847600 -1.7891E+01 -1.8485E+01 -1.0589E+01 H1 1838 1.008000 0.423800 -1.7826E+01 -1.8083E+01 -1.1502E+01 H2 1839 1.008000 0.423800 -1.8841E+01 -1.8457E+01 -1.0279E+01 O6 1840 15.999400 -0.847600 -1.6920E+01 1.5802E+01 -2.2421E+00 H1 1841 1.008000 0.423800 -1.7349E+01 1.4907E+01 -2.1226E+00 H2 1842 1.008000 0.423800 -1.7310E+01 1.6254E+01 -3.0447E+00 O6 1843 15.999400 -0.847600 1.3130E+01 1.1734E+01 1.0270E+01 H1 1844 1.008000 0.423800 1.4080E+01 1.1568E+01 1.0007E+01 H2 1845 1.008000 0.423800 1.2541E+01 1.1647E+01 9.4662E+00 O6 1846 15.999400 -0.847600 1.6941E+01 1.0013E+01 -1.2334E+01 H1 1847 1.008000 0.423800 1.7222E+01 9.2116E+00 -1.2863E+01 H2 1848 1.008000 0.423800 1.5967E+01 9.9456E+00 -1.2119E+01 O6 1849 15.999400 -0.847600 -9.4374E+00 5.4881E+00 -1.3640E+01 H1 1850 1.008000 0.423800 -9.2282E+00 5.8588E+00 -1.4545E+01 H2 1851 1.008000 0.423800 -8.8064E+00 4.7407E+00 -1.3432E+01 O6 1852 15.999400 -0.847600 -1.5007E+01 4.2580E+00 2.0172E+00 H1 1853 1.008000 0.423800 -1.5685E+01 4.9867E+00 1.9171E+00 H2 1854 1.008000 0.423800 -1.5157E+01 3.5647E+00 1.3123E+00 O6 1855 15.999400 -0.847600 1.1356E+01 -7.9996E+00 -9.7275E+00 H1 1856 1.008000 0.423800 1.1411E+01 -8.9521E+00 -1.0027E+01 H2 1857 1.008000 0.423800 1.0397E+01 -7.7344E+00 -9.6326E+00 O6 1858 15.999400 -0.847600 -6.2646E+00 -3.9912E+00 6.7432E+00 H1 1859 1.008000 0.423800 -5.4636E+00 -4.3853E+00 7.1938E+00 H2 1860 1.008000 0.423800 -6.3359E+00 -4.3532E+00 5.8137E+00 O6 1861 15.999400 -0.847600 1.5442E+01 -1.6961E+01 1.2742E+01 H1 1862 1.008000 0.423800 1.5455E+01 -1.6251E+01 1.3445E+01 H2 1863 1.008000 0.423800 1.4565E+01 -1.7440E+01 1.2768E+01 O6 1864 15.999400 -0.847600 -1.0142E+01 -1.8014E+01 4.6949E+00 H1 1865 1.008000 0.423800 -9.3768E+00 -1.8563E+01 4.3583E+00 H2 1866 1.008000 0.423800 -1.0347E+01 -1.7290E+01 4.0368E+00 O6 1867 15.999400 -0.847600 -8.0028E+00 1.2864E-01 1.8817E+01 H1 1868 1.008000 0.423800 -8.3549E+00 -7.3181E-01 1.9185E+01 H2 1869 1.008000 0.423800 -8.7487E+00 6.3695E-01 1.8387E+01 O6 1870 15.999400 -0.847600 -7.1322E+00 -6.7905E+00 -6.5884E+00 H1 1871 1.008000 0.423800 -6.8584E+00 -6.0849E+00 -5.9348E+00 H2 1872 1.008000 0.423800 -8.1302E+00 -6.8267E+00 -6.6411E+00 O6 1873 15.999400 -0.847600 -1.3673E+01 1.6953E+01 6.8403E+00 H1 1874 1.008000 0.423800 -1.3093E+01 1.7199E+01 6.0633E+00 H2 1875 1.008000 0.423800 -1.3099E+01 1.6655E+01 7.6030E+00 O6 1876 15.999400 -0.847600 4.3759E+00 6.9324E+00 1.2575E+01 H1 1877 1.008000 0.423800 4.5312E+00 7.9202E+00 1.2576E+01 H2 1878 1.008000 0.423800 3.4181E+00 6.7455E+00 1.2793E+01 O6 1879 15.999400 -0.847600 -1.5848E+01 -9.7740E+00 9.0084E+00 H1 1880 1.008000 0.423800 -1.5093E+01 -1.0227E+01 9.4818E+00 H2 1881 1.008000 0.423800 -1.5855E+01 -8.8024E+00 9.2448E+00 O6 1882 15.999400 -0.847600 1.7465E+01 -1.1220E+01 -1.7505E+01 H1 1883 1.008000 0.423800 1.8019E+01 -1.0578E+01 -1.8035E+01 H2 1884 1.008000 0.423800 1.7978E+01 -1.2067E+01 -1.7367E+01 O6 1885 15.999400 -0.847600 -3.7421E+00 -5.7261E-01 -8.2765E-01 H1 1886 1.008000 0.423800 -4.3981E+00 -1.2910E+00 -5.9622E-01 H2 1887 1.008000 0.423800 -2.8252E+00 -8.5514E-01 -5.4566E-01 O6 1888 15.999400 -0.847600 -5.8655E+00 -1.0235E+01 -1.9473E+00 H1 1889 1.008000 0.423800 -5.7562E+00 -9.6469E+00 -1.1461E+00 H2 1890 1.008000 0.423800 -5.7971E+00 -9.6830E+00 -2.7782E+00 O6 1891 15.999400 -0.847600 1.4152E+01 -6.3688E+00 1.4282E+01 H1 1892 1.008000 0.423800 1.3230E+01 -6.4200E+00 1.4665E+01 H2 1893 1.008000 0.423800 1.4253E+01 -7.0569E+00 1.3563E+01 O6 1894 15.999400 -0.847600 -9.1301E+00 1.1124E+01 3.7129E+00 H1 1895 1.008000 0.423800 -8.5445E+00 1.1398E+01 2.9501E+00 H2 1896 1.008000 0.423800 -8.9880E+00 1.0154E+01 3.9099E+00 O6 1897 15.999400 -0.847600 1.7937E+01 -1.6275E+00 3.6187E+00 H1 1898 1.008000 0.423800 1.7294E+01 -2.2300E+00 4.0922E+00 H2 1899 1.008000 0.423800 1.7437E+01 -1.0445E+00 2.9783E+00 O6 1900 15.999400 -0.847600 -1.7057E+01 -4.0660E-01 -1.2289E+01 H1 1901 1.008000 0.423800 -1.7483E+01 4.7822E-01 -1.2477E+01 H2 1902 1.008000 0.423800 -1.7767E+01 -1.1020E+00 -1.2178E+01 O6 1903 15.999400 -0.847600 -1.0133E+01 1.5705E+01 -1.5864E+01 H1 1904 1.008000 0.423800 -1.0349E+01 1.6344E+01 -1.6602E+01 H2 1905 1.008000 0.423800 -9.8363E+00 1.6215E+01 -1.5057E+01 O6 1906 15.999400 -0.847600 6.6988E+00 6.2478E+00 -9.4419E+00 H1 1907 1.008000 0.423800 6.9048E+00 6.7086E+00 -1.0305E+01 H2 1908 1.008000 0.423800 6.8798E+00 5.2688E+00 -9.5353E+00 O6 1909 15.999400 -0.847600 -4.5568E+00 -5.5092E+00 8.2451E+00 H1 1910 1.008000 0.423800 -4.9874E+00 -6.1010E+00 8.9266E+00 H2 1911 1.008000 0.423800 -4.0575E+00 -6.0699E+00 7.5846E+00 O6 1912 15.999400 -0.847600 -1.3393E+01 1.8711E+01 -6.9174E-01 H1 1913 1.008000 0.423800 -1.4111E+01 1.8364E+01 -1.2949E+00 H2 1914 1.008000 0.423800 -1.2929E+01 1.7943E+01 -2.4906E-01 O6 1915 15.999400 -0.847600 8.2336E+00 -2.1131E+00 -3.3980E+00 H1 1916 1.008000 0.423800 7.3571E+00 -1.6617E+00 -3.2307E+00 H2 1917 1.008000 0.423800 8.3296E+00 -2.3029E+00 -4.3751E+00 O6 1918 15.999400 -0.847600 -1.0309E+01 1.6104E+01 -8.2707E+00 H1 1919 1.008000 0.423800 -1.0674E+01 1.6493E+01 -9.1165E+00 H2 1920 1.008000 0.423800 -9.4839E+00 1.5578E+01 -8.4750E+00 O6 1921 15.999400 -0.847600 -6.3231E+00 -1.6190E+00 1.7555E+01 H1 1922 1.008000 0.423800 -5.3637E+00 -1.3421E+00 1.7502E+01 H2 1923 1.008000 0.423800 -6.8504E+00 -9.0716E-01 1.8019E+01 O6 1924 15.999400 -0.847600 3.0577E+00 4.4321E+00 -6.0031E-01 H1 1925 1.008000 0.423800 3.8989E+00 4.8882E+00 -8.9067E-01 H2 1926 1.008000 0.423800 3.2191E+00 3.9531E+00 2.6252E-01 O6 1927 15.999400 -0.847600 -7.9356E+00 7.4100E+00 1.1075E+01 H1 1928 1.008000 0.423800 -7.4457E+00 8.2195E+00 1.1399E+01 H2 1929 1.008000 0.423800 -8.8443E+00 7.6767E+00 1.0754E+01 O6 1930 15.999400 -0.847600 1.1241E+01 -1.0311E+01 -6.5210E+00 H1 1931 1.008000 0.423800 1.1709E+01 -1.0304E+01 -7.4046E+00 H2 1932 1.008000 0.423800 1.0402E+01 -1.0849E+01 -6.5932E+00 O6 1933 15.999400 -0.847600 8.2536E-01 7.7638E+00 1.5525E+01 H1 1934 1.008000 0.423800 1.2863E+00 7.6930E+00 1.4640E+01 H2 1935 1.008000 0.423800 7.4313E-01 8.7268E+00 1.5782E+01 O6 1936 15.999400 -0.847600 -1.5929E+01 1.4555E+00 -1.7839E+01 H1 1937 1.008000 0.423800 -1.5904E+01 2.4493E+00 -1.7948E+01 H2 1938 1.008000 0.423800 -1.5163E+01 1.0467E+00 -1.8335E+01 O6 1939 15.999400 -0.847600 1.0937E+01 1.2297E+00 -3.5492E+00 H1 1940 1.008000 0.423800 1.0742E+01 3.7821E-01 -3.0626E+00 H2 1941 1.008000 0.423800 1.1857E+01 1.1871E+00 -3.9393E+00 O6 1942 15.999400 -0.847600 4.1641E-01 -1.2178E+01 -1.9505E+01 H1 1943 1.008000 0.423800 3.2405E-01 -1.1312E+01 1.9102E+01 H2 1944 1.008000 0.423800 9.6676E-01 -1.2812E+01 1.9049E+01 O6 1945 15.999400 -0.847600 9.6271E+00 1.2738E+00 1.9027E+01 H1 1946 1.008000 0.423800 9.7023E+00 1.1009E+00 -1.9089E+01 H2 1947 1.008000 0.423800 1.0447E+01 9.3423E-01 1.8565E+01 O6 1948 15.999400 -0.847600 -1.2650E+01 -1.8015E+01 -8.1982E+00 H1 1949 1.008000 0.423800 -1.3344E+01 -1.8670E+01 -7.8996E+00 H2 1950 1.008000 0.423800 -1.1750E+01 -1.8319E+01 -7.8894E+00 O6 1951 15.999400 -0.847600 1.9136E+01 -1.1418E+01 1.2095E+01 H1 1952 1.008000 0.423800 1.9435E+01 -1.0608E+01 1.2601E+01 H2 1953 1.008000 0.423800 1.8348E+01 -1.1826E+01 1.2557E+01 O6 1954 15.999400 -0.847600 -1.3317E+01 2.9045E+00 5.8708E+00 H1 1955 1.008000 0.423800 -1.2506E+01 3.2251E+00 5.3814E+00 H2 1956 1.008000 0.423800 -1.3304E+01 3.2599E+00 6.8054E+00 O6 1957 15.999400 -0.847600 -1.3853E+01 -1.0581E+00 9.7991E+00 H1 1958 1.008000 0.423800 -1.3801E+01 -2.0566E+00 9.8135E+00 H2 1959 1.008000 0.423800 -1.4213E+01 -7.3059E-01 1.0673E+01 O6 1960 15.999400 -0.847600 -1.6413E+01 1.1569E+01 -1.5441E+01 H1 1961 1.008000 0.423800 -1.7339E+01 1.1278E+01 -1.5201E+01 H2 1962 1.008000 0.423800 -1.5837E+01 1.0764E+01 -1.5580E+01 O6 1963 15.999400 -0.847600 5.4747E+00 1.6182E+01 -1.4954E+01 H1 1964 1.008000 0.423800 6.2420E+00 1.6044E+01 -1.5581E+01 H2 1965 1.008000 0.423800 4.7296E+00 1.5561E+01 -1.5198E+01 O6 1966 15.999400 -0.847600 1.1583E+01 -9.9473E+00 -1.3132E+01 H1 1967 1.008000 0.423800 1.2491E+01 -9.9819E+00 -1.2716E+01 H2 1968 1.008000 0.423800 1.0886E+01 -1.0028E+01 -1.2419E+01 O6 1969 15.999400 -0.847600 -1.5801E+01 1.6735E+01 -1.1030E+01 H1 1970 1.008000 0.423800 -1.6142E+01 1.6731E+01 -1.1970E+01 H2 1971 1.008000 0.423800 -1.4803E+01 1.6796E+01 -1.1038E+01 O6 1972 15.999400 -0.847600 -4.4985E+00 5.9285E+00 -1.5308E+01 H1 1973 1.008000 0.423800 -4.9364E+00 6.6729E+00 -1.4804E+01 H2 1974 1.008000 0.423800 -4.4680E+00 6.1577E+00 -1.6281E+01 O6 1975 15.999400 -0.847600 -7.8518E+00 1.9184E+00 -6.4879E+00 H1 1976 1.008000 0.423800 -8.4530E+00 2.4118E+00 -7.1166E+00 H2 1977 1.008000 0.423800 -7.9013E+00 2.3376E+00 -5.5814E+00 O6 1978 15.999400 -0.847600 1.2941E+01 7.6338E+00 -1.5336E+01 H1 1979 1.008000 0.423800 1.2944E+01 7.8192E+00 -1.4353E+01 H2 1980 1.008000 0.423800 1.3770E+01 8.0101E+00 -1.5749E+01 O6 1981 15.999400 -0.847600 -1.1830E+01 1.4131E+01 2.9642E+00 H1 1982 1.008000 0.423800 -1.2351E+01 1.4814E+01 3.4769E+00 H2 1983 1.008000 0.423800 -1.0853E+01 1.4262E+01 3.1334E+00 O6 1984 15.999400 -0.847600 -6.1124E+00 8.6829E+00 -1.4740E+01 H1 1985 1.008000 0.423800 -6.4727E+00 9.5213E+00 -1.4331E+01 H2 1986 1.008000 0.423800 -5.1595E+00 8.8255E+00 -1.5008E+01 O6 1987 15.999400 -0.847600 -1.7005E+01 5.2959E+00 2.9502E-01 H1 1988 1.008000 0.423800 -1.7109E+01 5.2282E+00 -6.9727E-01 H2 1989 1.008000 0.423800 -1.7901E+01 5.4358E+00 7.1527E-01 O6 1990 15.999400 -0.847600 1.0466E+01 1.6356E+01 1.5518E+01 H1 1991 1.008000 0.423800 1.0788E+01 1.5699E+01 1.4836E+01 H2 1992 1.008000 0.423800 1.0012E+01 1.5868E+01 1.6263E+01 O6 1993 15.999400 -0.847600 1.3443E+01 7.8077E+00 9.0822E+00 H1 1994 1.008000 0.423800 1.3649E+01 6.8830E+00 8.7615E+00 H2 1995 1.008000 0.423800 1.3469E+01 8.4417E+00 8.3094E+00 O6 1996 15.999400 -0.847600 -1.4606E+01 -1.3115E+01 -1.6218E+01 H1 1997 1.008000 0.423800 -1.4478E+01 -1.2355E+01 -1.6855E+01 H2 1998 1.008000 0.423800 -1.4293E+01 -1.2843E+01 -1.5308E+01 O6 1999 15.999400 -0.847600 -2.8409E+00 -1.3670E-01 -1.7689E+01 H1 2000 1.008000 0.423800 -3.1217E+00 6.6353E-01 -1.8219E+01 H2 2001 1.008000 0.423800 -3.4335E+00 -9.1013E-01 -1.7914E+01 O6 2002 15.999400 -0.847600 -1.4451E+01 1.6670E+01 2.7828E+00 H1 2003 1.008000 0.423800 -1.4568E+01 1.5978E+01 3.4954E+00 H2 2004 1.008000 0.423800 -1.4912E+01 1.6369E+01 1.9477E+00 O6 2005 15.999400 -0.847600 -2.2128E+00 3.7689E+00 8.9724E+00 H1 2006 1.008000 0.423800 -2.5475E+00 4.7093E+00 9.0334E+00 H2 2007 1.008000 0.423800 -1.2687E+00 3.7294E+00 9.2995E+00 O6 2008 15.999400 -0.847600 8.9692E+00 -1.1733E+01 -1.6801E+01 H1 2009 1.008000 0.423800 8.2862E+00 -1.1272E+01 -1.6235E+01 H2 2010 1.008000 0.423800 9.8816E+00 -1.1405E+01 -1.6556E+01 O6 2011 15.999400 -0.847600 9.8043E+00 -5.8035E+00 -1.9255E+01 H1 2012 1.008000 0.423800 9.2356E+00 -4.9902E+00 -1.9378E+01 H2 2013 1.008000 0.423800 1.0650E+01 -5.7011E+00 1.9318E+01 O6 2014 15.999400 -0.847600 -1.5446E+01 -4.8069E+00 1.9287E+01 H1 2015 1.008000 0.423800 -1.5296E+01 -5.6900E+00 -1.9366E+01 H2 2016 1.008000 0.423800 -1.4621E+01 -4.5395E+00 1.8790E+01 O6 2017 15.999400 -0.847600 1.2834E+01 -1.4395E+01 1.4231E+01 H1 2018 1.008000 0.423800 1.2110E+01 -1.4974E+01 1.3857E+01 H2 2019 1.008000 0.423800 1.2813E+01 -1.3502E+01 1.3779E+01 O6 2020 15.999400 -0.847600 -1.0455E+01 1.1354E+01 6.5457E+00 H1 2021 1.008000 0.423800 -1.1051E+01 1.2066E+01 6.9181E+00 H2 2022 1.008000 0.423800 -9.9511E+00 1.1718E+01 5.7621E+00 O6 2023 15.999400 -0.847600 8.7600E+00 1.3091E+01 -1.2253E+01 H1 2024 1.008000 0.423800 9.5867E+00 1.2636E+01 -1.1921E+01 H2 2025 1.008000 0.423800 8.4882E+00 1.3802E+01 -1.1604E+01 O6 2026 15.999400 -0.847600 9.7036E+00 -1.6014E+01 -6.3115E+00 H1 2027 1.008000 0.423800 1.0176E+01 -1.6435E+01 -5.5367E+00 H2 2028 1.008000 0.423800 8.8010E+00 -1.5698E+01 -6.0198E+00 O6 2029 15.999400 -0.847600 1.8896E+01 1.4940E+00 1.4568E-01 H1 2030 1.008000 0.423800 1.8891E+01 2.1316E+00 9.1603E-01 H2 2031 1.008000 0.423800 -1.9296E+01 1.0779E+00 6.3828E-02 O6 2032 15.999400 -0.847600 -1.7620E+01 1.8971E+01 1.1501E+01 H1 2033 1.008000 0.423800 -1.8011E+01 1.9061E+01 1.2417E+01 H2 2034 1.008000 0.423800 -1.8326E+01 1.8657E+01 1.0866E+01 O6 2035 15.999400 -0.847600 -5.5785E+00 4.0277E+00 1.2510E+01 H1 2036 1.008000 0.423800 -5.8514E+00 3.1360E+00 1.2871E+01 H2 2037 1.008000 0.423800 -4.6349E+00 3.9798E+00 1.2182E+01 O6 2038 15.999400 -0.847600 -1.3256E+01 -1.0234E+01 2.9318E+00 H1 2039 1.008000 0.423800 -1.2543E+01 -1.0625E+01 2.3498E+00 H2 2040 1.008000 0.423800 -1.3987E+01 -1.0904E+01 3.0593E+00 O6 2041 15.999400 -0.847600 7.0996E+00 1.6168E+01 5.8034E+00 H1 2042 1.008000 0.423800 6.4603E+00 1.6719E+01 6.3394E+00 H2 2043 1.008000 0.423800 8.0333E+00 1.6485E+01 5.9685E+00 O6 2044 15.999400 -0.847600 -4.8041E+00 3.0699E+00 -9.3805E+00 H1 2045 1.008000 0.423800 -4.2915E+00 2.6644E+00 -8.6236E+00 H2 2046 1.008000 0.423800 -5.5680E+00 3.6034E+00 -9.0176E+00 O6 2047 15.999400 -0.847600 1.2138E+01 3.5447E+00 -1.7085E+01 H1 2048 1.008000 0.423800 1.1296E+01 3.9423E+00 -1.7448E+01 H2 2049 1.008000 0.423800 1.2280E+01 2.6398E+00 -1.7487E+01 O6 2050 15.999400 -0.847600 -1.0194E+01 1.0977E+00 -1.1601E+01 H1 2051 1.008000 0.423800 -1.0495E+01 1.2173E+00 -1.0655E+01 H2 2052 1.008000 0.423800 -9.7263E+00 2.1881E-01 -1.1694E+01 O6 2053 15.999400 -0.847600 7.5747E+00 1.1125E+01 -9.8579E+00 H1 2054 1.008000 0.423800 7.2579E+00 1.2044E+01 -1.0091E+01 H2 2055 1.008000 0.423800 7.7694E+00 1.1078E+01 -8.8782E+00 O6 2056 15.999400 -0.847600 1.6553E+01 -1.5769E+01 -1.1099E+01 H1 2057 1.008000 0.423800 1.7351E+01 -1.6148E+01 -1.0631E+01 H2 2058 1.008000 0.423800 1.6269E+01 -1.6390E+01 -1.1830E+01 O6 2059 15.999400 -0.847600 -1.5250E+01 -7.4415E+00 1.0520E+01 H1 2060 1.008000 0.423800 -1.4254E+01 -7.4082E+00 1.0605E+01 H2 2061 1.008000 0.423800 -1.5569E+01 -6.6335E+00 1.0025E+01 O6 2062 15.999400 -0.847600 4.7659E+00 -1.2883E+01 5.7438E+00 H1 2063 1.008000 0.423800 4.0524E+00 -1.2219E+01 5.9681E+00 H2 2064 1.008000 0.423800 4.8843E+00 -1.2923E+01 4.7516E+00 O6 2065 15.999400 -0.847600 2.8646E+00 6.8981E+00 1.7497E+01 H1 2066 1.008000 0.423800 3.0127E+00 7.4046E+00 1.8346E+01 H2 2067 1.008000 0.423800 1.9389E+00 7.0730E+00 1.7162E+01 O6 2068 15.999400 -0.847600 6.2354E+00 4.0664E+00 1.7467E+01 H1 2069 1.008000 0.423800 5.4287E+00 4.2448E+00 1.6904E+01 H2 2070 1.008000 0.423800 6.4646E+00 4.8872E+00 1.7990E+01 O6 2071 15.999400 -0.847600 -6.7661E+00 -7.3891E+00 4.4708E+00 H1 2072 1.008000 0.423800 -7.3108E+00 -7.9330E+00 3.8325E+00 H2 2073 1.008000 0.423800 -5.8758E+00 -7.1884E+00 4.0621E+00 O6 2074 15.999400 -0.847600 -8.3120E+00 -8.4644E-01 -9.4863E+00 H1 2075 1.008000 0.423800 -7.8215E+00 -9.0438E-03 -9.7276E+00 H2 2076 1.008000 0.423800 -8.3344E+00 -1.4589E+00 -1.0276E+01 O6 2077 15.999400 -0.847600 1.9291E+00 3.8339E+00 1.2389E+01 H1 2078 1.008000 0.423800 2.7904E+00 3.4990E+00 1.2771E+01 H2 2079 1.008000 0.423800 1.7260E+00 4.7373E+00 1.2766E+01 O6 2080 15.999400 -0.847600 -9.7578E+00 1.2637E+01 -1.3926E+01 H1 2081 1.008000 0.423800 -9.6183E+00 1.2745E+01 -1.4911E+01 H2 2082 1.008000 0.423800 -9.0412E+00 1.3130E+01 -1.3432E+01 O6 2083 15.999400 -0.847600 -3.4314E-01 2.8503E+00 1.5506E+01 H1 2084 1.008000 0.423800 -6.7308E-01 3.7943E+00 1.5497E+01 H2 2085 1.008000 0.423800 6.5609E-01 2.8469E+00 1.5544E+01 O6 2086 15.999400 -0.847600 -7.2058E+00 -6.2782E-01 6.4052E+00 H1 2087 1.008000 0.423800 -6.9972E+00 -1.4143E+00 6.9866E+00 H2 2088 1.008000 0.423800 -7.1865E+00 -9.0836E-01 5.4456E+00 O6 2089 15.999400 -0.847600 -4.1931E+00 2.4234E+00 5.5715E+00 H1 2090 1.008000 0.423800 -3.8372E+00 3.3355E+00 5.7752E+00 H2 2091 1.008000 0.423800 -3.6790E+00 2.0273E+00 4.8107E+00 O6 2092 15.999400 -0.847600 -1.5590E+01 -3.0774E+00 -1.4437E+01 H1 2093 1.008000 0.423800 -1.5105E+01 -3.8261E+00 -1.4888E+01 H2 2094 1.008000 0.423800 -1.4950E+01 -2.3343E+00 -1.4242E+01 O6 2095 15.999400 -0.847600 1.1562E+01 5.1834E+00 1.1975E+01 H1 2096 1.008000 0.423800 1.0935E+01 4.4846E+00 1.2320E+01 H2 2097 1.008000 0.423800 1.2500E+01 4.8392E+00 1.2015E+01 O6 2098 15.999400 -0.847600 -1.7040E+01 6.3361E+00 -1.7447E+01 H1 2099 1.008000 0.423800 -1.6660E+01 7.0112E+00 -1.8080E+01 H2 2100 1.008000 0.423800 -1.8038E+01 6.3583E+00 -1.7496E+01 O6 2101 15.999400 -0.847600 -1.0298E+01 -1.5941E+01 2.8681E+00 H1 2102 1.008000 0.423800 -1.0650E+01 -1.5053E+01 3.1622E+00 H2 2103 1.008000 0.423800 -9.2990E+00 -1.5936E+01 2.9159E+00 O6 2104 15.999400 -0.847600 -2.7194E+00 -7.7163E+00 -6.0084E+00 H1 2105 1.008000 0.423800 -2.8099E+00 -8.7122E+00 -6.0056E+00 H2 2106 1.008000 0.423800 -3.5190E+00 -7.3103E+00 -6.4509E+00 O6 2107 15.999400 -0.847600 1.0602E+01 2.1537E+00 6.1794E+00 H1 2108 1.008000 0.423800 1.0877E+01 2.0672E+00 5.2218E+00 H2 2109 1.008000 0.423800 9.9088E+00 2.8695E+00 6.2639E+00 O6 2110 15.999400 -0.847600 1.9346E+01 -9.1815E+00 -1.8969E+01 H1 2111 1.008000 0.423800 -1.9464E+01 -8.8812E+00 -1.8059E+01 H2 2112 1.008000 0.423800 -1.9162E+01 -9.9285E+00 -1.9275E+01 O6 2113 15.999400 -0.847600 1.5872E+01 6.6437E+00 3.0522E-01 H1 2114 1.008000 0.423800 1.6590E+01 6.4542E+00 -3.6460E-01 H2 2115 1.008000 0.423800 1.5021E+01 6.8645E+00 -1.7164E-01 O6 2116 15.999400 -0.847600 -1.1453E+01 -1.8432E+01 -8.9093E-01 H1 2117 1.008000 0.423800 -1.1012E+01 -1.8585E+01 -1.7753E+00 H2 2118 1.008000 0.423800 -1.2195E+01 -1.9092E+01 -7.6983E-01 O6 2119 15.999400 -0.847600 9.2599E+00 1.3075E+01 6.0073E+00 H1 2120 1.008000 0.423800 8.5741E+00 1.3270E+01 5.3062E+00 H2 2121 1.008000 0.423800 8.9071E+00 1.2380E+01 6.6345E+00 O6 2122 15.999400 -0.847600 -2.5949E+00 1.7170E+01 1.1230E+01 H1 2123 1.008000 0.423800 -3.3957E+00 1.7243E+01 1.1825E+01 H2 2124 1.008000 0.423800 -1.7649E+00 1.7167E+01 1.1788E+01 O6 2125 15.999400 -0.847600 7.9421E+00 1.0796E+01 -6.5059E-01 H1 2126 1.008000 0.423800 7.1666E+00 1.0165E+01 -6.2930E-01 H2 2127 1.008000 0.423800 7.7243E+00 1.1610E+01 -1.1233E-01 O6 2128 15.999400 -0.847600 1.5128E+01 2.7216E+00 1.5994E+01 H1 2129 1.008000 0.423800 1.4171E+01 3.0018E+00 1.5919E+01 H2 2130 1.008000 0.423800 1.5649E+01 3.1078E+00 1.5232E+01 O6 2131 15.999400 -0.847600 1.4677E+01 -8.4318E+00 -1.4097E+01 H1 2132 1.008000 0.423800 1.5205E+01 -9.1040E+00 -1.4616E+01 H2 2133 1.008000 0.423800 1.4387E+01 -7.6935E+00 -1.4706E+01 O6 2134 15.999400 -0.847600 -1.3273E+01 7.6906E+00 -2.9896E+00 H1 2135 1.008000 0.423800 -1.4096E+01 7.7247E+00 -3.5565E+00 H2 2136 1.008000 0.423800 -1.3448E+01 8.1540E+00 -2.1208E+00 O6 2137 15.999400 -0.847600 -5.1922E+00 1.1503E+01 7.7047E+00 H1 2138 1.008000 0.423800 -5.8311E+00 1.1367E+01 8.4619E+00 H2 2139 1.008000 0.423800 -5.6441E+00 1.2017E+01 6.9754E+00 O6 2140 15.999400 -0.847600 7.4404E+00 -1.2652E+01 6.9872E+00 H1 2141 1.008000 0.423800 6.4783E+00 -1.2881E+01 7.1352E+00 H2 2142 1.008000 0.423800 7.5185E+00 -1.1688E+01 6.7338E+00 O6 2143 15.999400 -0.847600 -1.8346E+01 1.0032E+01 8.6834E+00 H1 2144 1.008000 0.423800 -1.8896E+01 9.5866E+00 7.9768E+00 H2 2145 1.008000 0.423800 -1.8924E+01 1.0245E+01 9.4711E+00 O6 2146 15.999400 -0.847600 -5.2517E+00 -1.3309E+01 7.0034E+00 H1 2147 1.008000 0.423800 -4.6135E+00 -1.4036E+01 7.2568E+00 H2 2148 1.008000 0.423800 -5.8700E+00 -1.3642E+01 6.2913E+00 O6 2149 15.999400 -0.847600 -1.2320E+01 -1.8372E+01 -1.4355E+01 H1 2150 1.008000 0.423800 -1.3015E+01 -1.8134E+01 -1.5033E+01 H2 2151 1.008000 0.423800 -1.2702E+01 -1.8272E+01 -1.3436E+01 O6 2152 15.999400 -0.847600 1.6713E+00 6.2940E-01 4.5211E+00 H1 2153 1.008000 0.423800 2.1599E+00 1.1856E+00 5.1934E+00 H2 2154 1.008000 0.423800 7.0982E-01 9.0309E-01 4.4978E+00 O6 2155 15.999400 -0.847600 -6.6111E+00 -5.0919E+00 1.2246E+01 H1 2156 1.008000 0.423800 -7.1595E+00 -5.8137E+00 1.1824E+01 H2 2157 1.008000 0.423800 -6.6824E+00 -4.2569E+00 1.1700E+01 O6 2158 15.999400 -0.847600 -7.4968E+00 1.7593E+01 1.5426E+01 H1 2159 1.008000 0.423800 -7.9022E+00 1.6908E+01 1.4820E+01 H2 2160 1.008000 0.423800 -8.0936E+00 1.7735E+01 1.6216E+01 O6 2161 15.999400 -0.847600 -6.1372E+00 -2.1649E+00 -1.2048E+01 H1 2162 1.008000 0.423800 -6.0836E+00 -2.8762E+00 -1.2749E+01 H2 2163 1.008000 0.423800 -5.4683E+00 -2.3543E+00 -1.1329E+01 O6 2164 15.999400 -0.847600 3.0252E+00 1.0753E+00 -1.0243E+01 H1 2165 1.008000 0.423800 2.7547E+00 5.3122E-01 -9.4490E+00 H2 2166 1.008000 0.423800 2.3374E+00 9.7928E-01 -1.0963E+01 O6 2167 15.999400 -0.847600 1.5015E+01 -1.1263E+01 -1.7256E+00 H1 2168 1.008000 0.423800 1.4056E+01 -1.1432E+01 -1.4996E+00 H2 2169 1.008000 0.423800 1.5370E+01 -1.0528E+01 -1.1481E+00 O6 2170 15.999400 -0.847600 -5.6365E+00 1.2943E+01 1.1779E+01 H1 2171 1.008000 0.423800 -5.1816E+00 1.2903E+01 1.2668E+01 H2 2172 1.008000 0.423800 -4.9827E+00 1.3241E+01 1.1083E+01 O6 2173 15.999400 -0.847600 -3.2614E+00 8.1919E+00 1.5188E+01 H1 2174 1.008000 0.423800 -3.9228E+00 7.5721E+00 1.4765E+01 H2 2175 1.008000 0.423800 -2.3580E+00 7.7632E+00 1.5191E+01 O6 2176 15.999400 -0.847600 7.2840E+00 6.1067E+00 1.9134E+01 H1 2177 1.008000 0.423800 6.5911E+00 6.3380E+00 -1.9281E+01 H2 2178 1.008000 0.423800 8.0443E+00 5.6326E+00 -1.9520E+01 O6 2179 15.999400 -0.847600 9.6873E+00 3.6681E+00 -3.4859E+00 H1 2180 1.008000 0.423800 1.0224E+01 2.8392E+00 -3.6444E+00 H2 2181 1.008000 0.423800 9.9992E+00 4.3902E+00 -4.1034E+00 O6 2182 15.999400 -0.847600 1.5533E+01 1.4589E+01 1.9121E+01 H1 2183 1.008000 0.423800 1.5140E+01 1.4623E+01 -1.9058E+01 H2 2184 1.008000 0.423800 1.5213E+01 1.5375E+01 1.8592E+01 O6 2185 15.999400 -0.847600 -7.8311E+00 -1.5481E+01 -1.3283E+01 H1 2186 1.008000 0.423800 -8.3656E+00 -1.5888E+01 -1.2542E+01 H2 2187 1.008000 0.423800 -8.4357E+00 -1.4951E+01 -1.3877E+01 O6 2188 15.999400 -0.847600 1.1697E+00 5.7103E+00 3.8177E+00 H1 2189 1.008000 0.423800 4.8573E-01 4.9872E+00 3.7205E+00 H2 2190 1.008000 0.423800 1.1391E+00 6.0750E+00 4.7483E+00 O6 2191 15.999400 -0.847600 8.3442E-01 -4.0222E+00 -1.6917E+01 H1 2192 1.008000 0.423800 3.6827E-02 -4.5569E+00 -1.6637E+01 H2 2193 1.008000 0.423800 1.6671E+00 -4.5438E+00 -1.6731E+01 O6 2194 15.999400 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8.2416E-01 -1.9434E+01 H2 2211 1.008000 0.423800 6.5158E+00 1.0915E+00 -1.8783E+01 O6 2212 15.999400 -0.847600 1.4996E+01 1.3414E+01 3.5988E+00 H1 2213 1.008000 0.423800 1.4157E+01 1.2990E+01 3.2571E+00 H2 2214 1.008000 0.423800 1.5767E+01 1.3139E+01 3.0235E+00 O6 2215 15.999400 -0.847600 -3.5304E+00 -1.5600E+01 1.7715E+01 H1 2216 1.008000 0.423800 -3.8648E+00 -1.6342E+01 1.8296E+01 H2 2217 1.008000 0.423800 -2.5886E+00 -1.5378E+01 1.7967E+01 O6 2218 15.999400 -0.847600 -1.7789E+01 -1.0780E+01 -1.1245E+01 H1 2219 1.008000 0.423800 -1.8486E+01 -1.0544E+01 -1.0568E+01 H2 2220 1.008000 0.423800 -1.7166E+01 -1.1460E+01 -1.0859E+01 O6 2221 15.999400 -0.847600 -1.7443E+01 5.4269E+00 -2.5420E+00 H1 2222 1.008000 0.423800 -1.8244E+01 5.2622E+00 -3.1179E+00 H2 2223 1.008000 0.423800 -1.6704E+01 4.8101E+00 -2.8139E+00 O6 2224 15.999400 -0.847600 1.3866E+01 -8.5787E+00 -5.0689E+00 H1 2225 1.008000 0.423800 1.3066E+01 -8.1644E+00 -5.5025E+00 H2 2226 1.008000 0.423800 1.4460E+01 -8.9710E+00 -5.7713E+00 O6 2227 15.999400 -0.847600 1.0249E+01 -6.9372E+00 1.0887E+01 H1 2228 1.008000 0.423800 9.7083E+00 -6.4020E+00 1.1536E+01 H2 2229 1.008000 0.423800 1.0511E+01 -6.3586E+00 1.0115E+01 O6 2230 15.999400 -0.847600 -1.4391E+01 8.5314E+00 3.2136E+00 H1 2231 1.008000 0.423800 -1.5083E+01 8.2858E+00 3.8929E+00 H2 2232 1.008000 0.423800 -1.4677E+01 8.2027E+00 2.3134E+00 O6 2233 15.999400 -0.847600 -1.7644E+01 9.8139E+00 4.2498E-01 H1 2234 1.008000 0.423800 -1.8577E+01 1.0042E+01 1.4714E-01 H2 2235 1.008000 0.423800 -1.7275E+01 9.1153E+00 -1.8825E-01 O6 2236 15.999400 -0.847600 -7.1971E+00 7.2878E+00 -8.3488E+00 H1 2237 1.008000 0.423800 -6.3412E+00 7.7987E+00 -8.4282E+00 H2 2238 1.008000 0.423800 -7.0348E+00 6.3281E+00 -8.5778E+00 O6 2239 15.999400 -0.847600 -9.6136E+00 -1.5889E+01 -3.2937E+00 H1 2240 1.008000 0.423800 -1.0170E+01 -1.5296E+01 -2.7118E+00 H2 2241 1.008000 0.423800 -8.9042E+00 -1.6327E+01 -2.7416E+00 O6 2242 15.999400 -0.847600 1.1977E+01 3.0705E+00 9.5871E+00 H1 2243 1.008000 0.423800 1.2170E+01 2.2818E+00 9.0033E+00 H2 2244 1.008000 0.423800 1.1010E+01 3.0692E+00 9.8404E+00 O6 2245 15.999400 -0.847600 -3.0063E+00 -1.0475E+01 -5.8337E+00 H1 2246 1.008000 0.423800 -2.4641E+00 -1.0421E+01 -6.6721E+00 H2 2247 1.008000 0.423800 -2.4460E+00 -1.0858E+01 -5.0988E+00 O6 2248 15.999400 -0.847600 1.5093E+01 -1.9478E+01 -4.5790E+00 H1 2249 1.008000 0.423800 1.5598E+01 1.9259E+01 -5.3627E+00 H2 2250 1.008000 0.423800 1.5598E+01 1.9426E+01 -3.7383E+00 O6 2251 15.999400 -0.847600 -1.1914E+01 -5.7927E+00 1.3618E+01 H1 2252 1.008000 0.423800 -1.1841E+01 -5.5808E+00 1.2643E+01 H2 2253 1.008000 0.423800 -1.2684E+01 -6.4128E+00 1.3768E+01 O6 2254 15.999400 -0.847600 -1.0049E+01 -1.2865E+00 4.8644E-01 H1 2255 1.008000 0.423800 -1.0074E+01 -2.0859E+00 -1.1388E-01 H2 2256 1.008000 0.423800 -1.0747E+01 -6.3162E-01 1.9895E-01 O6 2257 15.999400 -0.847600 1.8689E+01 1.9001E+01 -9.3249E+00 H1 2258 1.008000 0.423800 1.9518E+01 1.8446E+01 -9.2577E+00 H2 2259 1.008000 0.423800 1.7886E+01 1.8406E+01 -9.2846E+00 O6 2260 15.999400 -0.847600 -1.7209E+01 4.6364E+00 -1.3857E+01 H1 2261 1.008000 0.423800 -1.6594E+01 5.2392E+00 -1.4366E+01 H2 2262 1.008000 0.423800 -1.7690E+01 4.0350E+00 -1.4495E+01 O6 2263 15.999400 -0.847600 1.1175E+01 1.9352E+01 -6.2262E+00 H1 2264 1.008000 0.423800 1.1748E+01 1.8541E+01 -6.1070E+00 H2 2265 1.008000 0.423800 1.1724E+01 -1.8924E+01 -6.0716E+00 O6 2266 15.999400 -0.847600 -1.2247E+01 8.5649E-02 -4.7474E-01 H1 2267 1.008000 0.423800 -1.2216E+01 1.0466E+00 -7.4995E-01 H2 2268 1.008000 0.423800 -1.2629E+01 -4.6210E-01 -1.2192E+00 O6 2269 15.999400 -0.847600 6.8710E+00 -1.3215E+01 -1.4497E+01 H1 2270 1.008000 0.423800 7.4315E+00 -1.2956E+01 -1.3711E+01 H2 2271 1.008000 0.423800 6.6638E+00 -1.2401E+01 -1.5040E+01 O6 2272 15.999400 -0.847600 -2.0552E+00 -1.6376E+01 1.0072E+01 H1 2273 1.008000 0.423800 -2.3190E+00 -1.5927E+01 1.0926E+01 H2 2274 1.008000 0.423800 -2.0319E+00 -1.7366E+01 1.0209E+01 O6 2275 15.999400 -0.847600 -1.7085E+01 4.9211E+00 1.4167E+01 H1 2276 1.008000 0.423800 -1.7114E+01 4.9651E+00 1.5166E+01 H2 2277 1.008000 0.423800 -1.6199E+01 5.2537E+00 1.3845E+01 O6 2278 15.999400 -0.847600 -4.7523E+00 1.7373E+01 1.2946E+01 H1 2279 1.008000 0.423800 -5.1183E+00 1.8264E+01 1.3216E+01 H2 2280 1.008000 0.423800 -5.5037E+00 1.6774E+01 1.2670E+01 O6 2281 15.999400 -0.847600 5.2623E+00 -1.7718E+01 1.4842E+01 H1 2282 1.008000 0.423800 6.0839E+00 -1.7422E+01 1.4354E+01 H2 2283 1.008000 0.423800 4.4911E+00 -1.7139E+01 1.4577E+01 O6 2284 15.999400 -0.847600 3.5396E+00 1.4326E+01 -1.5314E+01 H1 2285 1.008000 0.423800 4.1914E+00 1.4108E+01 -1.6041E+01 H2 2286 1.008000 0.423800 2.6089E+00 1.4162E+01 -1.5641E+01 O6 2287 15.999400 -0.847600 8.5981E+00 1.5443E+01 -1.0944E+01 H1 2288 1.008000 0.423800 9.5213E+00 1.5655E+01 -1.1265E+01 H2 2289 1.008000 0.423800 7.9385E+00 1.6026E+01 -1.1419E+01 O6 2290 15.999400 -0.847600 -1.4596E+01 -6.3673E+00 -1.1208E+01 H1 2291 1.008000 0.423800 -1.5055E+01 -5.4808E+00 -1.1264E+01 H2 2292 1.008000 0.423800 -1.5202E+01 -7.0291E+00 -1.0766E+01 O6 2293 15.999400 -0.847600 2.3238E+00 -1.1256E+01 3.5539E+00 H1 2294 1.008000 0.423800 3.0972E+00 -1.1071E+01 2.9475E+00 H2 2295 1.008000 0.423800 2.5963E+00 -1.1090E+01 4.5017E+00 O6 2296 15.999400 -0.847600 2.1089E-01 -1.1020E+01 -3.0893E-01 H1 2297 1.008000 0.423800 -7.0592E-01 -1.1280E+01 -6.1230E-01 H2 2298 1.008000 0.423800 1.5408E-01 -1.0587E+01 5.9082E-01 O6 2299 15.999400 -0.847600 1.5083E+01 -1.2078E+01 -1.8744E+01 H1 2300 1.008000 0.423800 1.5085E+01 -1.2672E+01 -1.9548E+01 H2 2301 1.008000 0.423800 1.6019E+01 -1.1788E+01 -1.8541E+01 O6 2302 15.999400 -0.847600 -1.5044E+01 8.5689E-01 8.4391E+00 H1 2303 1.008000 0.423800 -1.4843E+01 7.0613E-01 7.4711E+00 H2 2304 1.008000 0.423800 -1.4713E+01 7.8873E-02 8.9732E+00 O6 2305 15.999400 -0.847600 4.3170E+00 9.1606E-01 -7.3106E+00 H1 2306 1.008000 0.423800 4.6019E+00 1.8724E+00 -7.2444E+00 H2 2307 1.008000 0.423800 3.4832E+00 7.7895E-01 -6.7759E+00 O6 2308 15.999400 -0.847600 -5.8421E-01 -3.1277E-02 -1.8985E+01 H1 2309 1.008000 0.423800 -1.3445E+00 -5.9507E-02 -1.8336E+01 H2 2310 1.008000 0.423800 1.5226E-01 -6.2539E-01 -1.8661E+01 O6 2311 15.999400 -0.847600 5.8017E+00 -1.2750E+01 -1.1016E+01 H1 2312 1.008000 0.423800 6.7280E+00 -1.2710E+01 -1.1391E+01 H2 2313 1.008000 0.423800 5.5888E+00 -1.1885E+01 -1.0561E+01 O6 2314 15.999400 -0.847600 -3.8905E+00 1.9614E+00 1.5131E+01 H1 2315 1.008000 0.423800 -3.1361E+00 1.3057E+00 1.5102E+01 H2 2316 1.008000 0.423800 -4.4394E+00 1.8752E+00 1.4300E+01 O6 2317 15.999400 -0.847600 -6.0502E+00 -1.4259E+01 -1.5769E+01 H1 2318 1.008000 0.423800 -6.0546E+00 -1.4891E+01 -1.4994E+01 H2 2319 1.008000 0.423800 -6.0869E+00 -1.3318E+01 -1.5431E+01 O6 2320 15.999400 -0.847600 -5.3247E+00 -1.2757E+01 -1.9195E+01 H1 2321 1.008000 0.423800 -5.8217E+00 -1.1895E+01 -1.9300E+01 H2 2322 1.008000 0.423800 -5.8806E+00 -1.3508E+01 1.9546E+01 O6 2323 15.999400 -0.847600 8.4297E+00 -1.2471E+01 -1.2273E+01 H1 2324 1.008000 0.423800 8.9632E+00 -1.2884E+01 -1.1535E+01 H2 2325 1.008000 0.423800 8.7647E+00 -1.1545E+01 -1.2449E+01 O6 2326 15.999400 -0.847600 1.2666E+01 -3.9418E+00 -5.6135E+00 H1 2327 1.008000 0.423800 1.2399E+01 -3.6264E+00 -4.7028E+00 H2 2328 1.008000 0.423800 1.1896E+01 -4.4143E+00 -6.0417E+00 O6 2329 15.999400 -0.847600 1.1318E+01 1.4989E+01 1.3398E+01 H1 2330 1.008000 0.423800 1.0421E+01 1.5205E+01 1.3011E+01 H2 2331 1.008000 0.423800 1.1490E+01 1.4008E+01 1.3314E+01 O6 2332 15.999400 -0.847600 -1.6435E+01 -1.3757E+01 5.4468E+00 H1 2333 1.008000 0.423800 -1.6811E+01 -1.4095E+01 4.5836E+00 H2 2334 1.008000 0.423800 -1.7116E+01 -1.3186E+01 5.9056E+00 O6 2335 15.999400 -0.847600 -1.1736E+01 -7.0488E-01 8.2877E+00 H1 2336 1.008000 0.423800 -1.2501E+01 -8.6744E-01 8.9114E+00 H2 2337 1.008000 0.423800 -1.1379E+01 -1.5807E+00 7.9635E+00 O6 2338 15.999400 -0.847600 1.6196E+01 -1.8670E+01 -1.5458E+01 H1 2339 1.008000 0.423800 1.6381E+01 -1.9531E+01 -1.4984E+01 H2 2340 1.008000 0.423800 1.6421E+01 -1.8768E+01 -1.6427E+01 O6 2341 15.999400 -0.847600 -1.0061E+01 -8.9209E+00 1.1831E+01 H1 2342 1.008000 0.423800 -9.9757E+00 -9.6808E+00 1.1187E+01 H2 2343 1.008000 0.423800 -1.0077E+01 -9.2766E+00 1.2765E+01 O6 2344 15.999400 -0.847600 -1.6065E+01 9.0126E+00 -1.7949E+01 H1 2345 1.008000 0.423800 -1.5335E+01 9.1563E+00 -1.7281E+01 H2 2346 1.008000 0.423800 -1.6377E+01 9.8967E+00 -1.8297E+01 O6 2347 15.999400 -0.847600 1.1739E+01 -1.3227E+01 -4.8037E+00 H1 2348 1.008000 0.423800 1.1824E+01 -1.3838E+01 -5.5914E+00 H2 2349 1.008000 0.423800 1.2439E+01 -1.2515E+01 -4.8562E+00 O6 2350 15.999400 -0.847600 -4.5194E+00 6.4114E-01 -3.4302E+00 H1 2351 1.008000 0.423800 -4.3523E+00 8.8906E-02 -2.6134E+00 H2 2352 1.008000 0.423800 -5.3197E+00 1.2221E+00 -3.2816E+00 O6 2353 15.999400 -0.847600 1.6304E+01 6.0875E+00 -1.2247E+01 H1 2354 1.008000 0.423800 1.6432E+01 6.0507E+00 -1.1256E+01 H2 2355 1.008000 0.423800 1.6008E+01 5.1916E+00 -1.2578E+01 O6 2356 15.999400 -0.847600 -3.4268E+00 -1.4559E+00 1.7185E+01 H1 2357 1.008000 0.423800 -3.1399E+00 -9.5556E-01 1.8002E+01 H2 2358 1.008000 0.423800 -3.2571E+00 -8.9553E-01 1.6374E+01 O6 2359 15.999400 -0.847600 -1.6280E+01 -1.8126E+01 9.2025E+00 H1 2360 1.008000 0.423800 -1.6720E+01 -1.8505E+01 1.0017E+01 H2 2361 1.008000 0.423800 -1.5369E+01 -1.7790E+01 9.4413E+00 O6 2362 15.999400 -0.847600 -1.3970E+01 7.6594E+00 -1.2943E+01 H1 2363 1.008000 0.423800 -1.4285E+01 7.4464E+00 -1.3867E+01 H2 2364 1.008000 0.423800 -1.3234E+01 7.0311E+00 -1.2688E+01 O6 2365 15.999400 -0.847600 -1.6543E+01 9.4198E+00 1.7422E+01 H1 2366 1.008000 0.423800 -1.6080E+01 8.5349E+00 1.7472E+01 H2 2367 1.008000 0.423800 -1.6953E+01 9.5308E+00 1.6517E+01 O6 2368 15.999400 -0.847600 -8.0053E+00 1.8228E+01 -9.1092E+00 H1 2369 1.008000 0.423800 -7.8607E+00 1.7845E+01 -8.1966E+00 H2 2370 1.008000 0.423800 -7.2921E+00 1.7896E+01 -9.7266E+00 O6 2371 15.999400 -0.847600 -2.9898E+00 8.8416E+00 1.7965E+01 H1 2372 1.008000 0.423800 -2.0600E+00 9.0714E+00 1.8253E+01 H2 2373 1.008000 0.423800 -3.0102E+00 8.7159E+00 1.6973E+01 O6 2374 15.999400 -0.847600 -4.5040E+00 1.3019E+00 1.0111E+01 H1 2375 1.008000 0.423800 -3.6104E+00 1.0425E+00 1.0478E+01 H2 2376 1.008000 0.423800 -4.6320E+00 8.7826E-01 9.2146E+00 O6 2377 15.999400 -0.847600 -1.2325E+01 1.5737E+01 9.0269E+00 H1 2378 1.008000 0.423800 -1.1517E+01 1.6165E+01 9.4328E+00 H2 2379 1.008000 0.423800 -1.3044E+01 1.5662E+01 9.7171E+00 O6 2380 15.999400 -0.847600 -1.4349E+01 -9.3630E+00 -1.4316E+01 H1 2381 1.008000 0.423800 -1.4193E+01 -8.8558E+00 -1.5164E+01 H2 2382 1.008000 0.423800 -1.5123E+01 -9.9842E+00 -1.4437E+01 O6 2383 15.999400 -0.847600 1.0954E+01 1.4702E+01 3.8996E+00 H1 2384 1.008000 0.423800 1.0821E+01 1.5333E+01 4.6639E+00 H2 2385 1.008000 0.423800 1.1029E+01 1.3767E+01 4.2480E+00 O6 2386 15.999400 -0.847600 3.3431E+00 7.9396E+00 9.7515E+00 H1 2387 1.008000 0.423800 4.2393E+00 7.9154E+00 9.3085E+00 H2 2388 1.008000 0.423800 3.3808E+00 8.5439E+00 1.0547E+01 O6 2389 15.999400 -0.847600 -1.7987E+01 -6.4813E+00 -1.1390E+01 H1 2390 1.008000 0.423800 -1.8809E+01 -5.9670E+00 -1.1635E+01 H2 2391 1.008000 0.423800 -1.8034E+01 -6.7440E+00 -1.0426E+01 O6 2392 15.999400 -0.847600 1.3658E+01 9.2571E-01 -3.4082E+00 H1 2393 1.008000 0.423800 1.3068E+01 1.3362E+00 -2.7123E+00 H2 2394 1.008000 0.423800 1.3860E+01 -2.0916E-02 -3.1574E+00 O6 2395 15.999400 -0.847600 1.0430E+01 -1.1144E+00 -2.2133E+00 H1 2396 1.008000 0.423800 1.0496E+01 -1.3336E+00 -1.2398E+00 H2 2397 1.008000 0.423800 9.7242E+00 -1.6824E+00 -2.6361E+00 O6 2398 15.999400 -0.847600 -3.2990E+00 3.9901E+00 -9.8032E-01 H1 2399 1.008000 0.423800 -4.1771E+00 4.4577E+00 -1.0825E+00 H2 2400 1.008000 0.423800 -3.0035E+00 3.6381E+00 -1.8684E+00 O6 2401 15.999400 -0.847600 -1.5795E+01 6.7640E+00 -4.6510E+00 H1 2402 1.008000 0.423800 -1.5175E+01 6.1834E+00 -5.1791E+00 H2 2403 1.008000 0.423800 -1.6713E+01 6.7129E+00 -5.0423E+00 O6 2404 15.999400 -0.847600 1.8909E+01 1.0992E+00 -4.0314E+00 H1 2405 1.008000 0.423800 1.8914E+01 1.9338E+00 -4.5822E+00 H2 2406 1.008000 0.423800 -1.9309E+01 1.0009E+00 -3.5666E+00 O6 2407 15.999400 -0.847600 -8.2997E+00 -1.8346E+01 -1.0293E+01 H1 2408 1.008000 0.423800 -8.2559E+00 -1.9196E+01 -9.7684E+00 H2 2409 1.008000 0.423800 -9.2304E+00 -1.8212E+01 -1.0633E+01 O6 2410 15.999400 -0.847600 1.3122E+01 -1.7193E+00 -1.4470E+01 H1 2411 1.008000 0.423800 1.3873E+01 -2.3444E+00 -1.4255E+01 H2 2412 1.008000 0.423800 1.3474E+01 -7.8531E-01 -1.4533E+01 O6 2413 15.999400 -0.847600 -1.6191E+01 1.1836E+01 1.6660E+00 H1 2414 1.008000 0.423800 -1.5318E+01 1.1864E+01 1.1795E+00 H2 2415 1.008000 0.423800 -1.6792E+01 1.1163E+01 1.2342E+00 O6 2416 15.999400 -0.847600 -6.1682E+00 1.0551E+00 -8.6266E-01 H1 2417 1.008000 0.423800 -5.2053E+00 9.0058E-01 -6.4133E-01 H2 2418 1.008000 0.423800 -6.2428E+00 1.8047E+00 -1.5204E+00 O6 2419 15.999400 -0.847600 1.0252E+01 -1.0629E+01 8.2086E+00 H1 2420 1.008000 0.423800 1.0754E+01 -1.0402E+01 9.0436E+00 H2 2421 1.008000 0.423800 9.4276E+00 -1.1143E+01 8.4444E+00 O6 2422 15.999400 -0.847600 -1.2784E+01 -1.1270E+01 1.6835E+01 H1 2423 1.008000 0.423800 -1.2506E+01 -1.1871E+01 1.6086E+01 H2 2424 1.008000 0.423800 -1.3635E+01 -1.0806E+01 1.6592E+01 O6 2425 15.999400 -0.847600 -9.3554E+00 3.7329E+00 -8.1236E+00 H1 2426 1.008000 0.423800 -9.9758E+00 4.3331E+00 -7.6186E+00 H2 2427 1.008000 0.423800 -9.5077E+00 3.8463E+00 -9.1054E+00 O6 2428 15.999400 -0.847600 -1.6031E+01 -1.0240E+01 1.2531E+00 H1 2429 1.008000 0.423800 -1.6821E+01 -9.9639E+00 7.0522E-01 H2 2430 1.008000 0.423800 -1.5604E+01 -9.4293E+00 1.6541E+00 O6 2431 15.999400 -0.847600 2.8273E+00 1.0737E+01 7.5070E+00 H1 2432 1.008000 0.423800 3.0215E+00 1.0249E+01 6.6562E+00 H2 2433 1.008000 0.423800 2.1139E+00 1.0253E+01 8.0137E+00 O6 2434 15.999400 -0.847600 1.0472E+01 -5.6322E+00 7.6539E+00 H1 2435 1.008000 0.423800 1.0444E+01 -5.3239E+00 6.7030E+00 H2 2436 1.008000 0.423800 9.6663E+00 -5.2907E+00 8.1383E+00 O6 2437 15.999400 -0.847600 -1.5747E+01 -1.1185E+01 1.8741E+01 H1 2438 1.008000 0.423800 -1.5461E+01 -1.0855E+01 1.7841E+01 H2 2439 1.008000 0.423800 -1.5330E+01 -1.0618E+01 1.9451E+01 O6 2440 15.999400 -0.847600 1.8887E+01 -5.2441E+00 1.1276E+01 H1 2441 1.008000 0.423800 -1.9280E+01 -5.5960E+00 1.1168E+01 H2 2442 1.008000 0.423800 1.8294E+01 -5.9712E+00 1.1622E+01 O6 2443 15.999400 -0.847600 5.9394E+00 -1.8021E+01 -1.3199E+01 H1 2444 1.008000 0.423800 5.6191E+00 -1.7197E+01 -1.2731E+01 H2 2445 1.008000 0.423800 6.5825E+00 -1.7765E+01 -1.3921E+01 O6 2446 15.999400 -0.847600 -2.9635E+00 3.8588E+00 1.1655E+01 H1 2447 1.008000 0.423800 -3.1001E+00 3.5467E+00 1.0715E+01 H2 2448 1.008000 0.423800 -2.1844E+00 3.3771E+00 1.2056E+01 O6 2449 15.999400 -0.847600 1.7196E+01 -7.3633E+00 -5.7916E+00 H1 2450 1.008000 0.423800 1.6992E+01 -7.3113E+00 -4.8139E+00 H2 2451 1.008000 0.423800 1.7564E+01 -6.4870E+00 -6.1025E+00 O6 2452 15.999400 -0.847600 -1.2650E+01 1.5182E+00 -4.0556E+00 H1 2453 1.008000 0.423800 -1.2364E+01 1.9275E+00 -3.1892E+00 H2 2454 1.008000 0.423800 -1.2756E+01 5.3077E-01 -3.9386E+00 O6 2455 15.999400 -0.847600 -5.5869E+00 -1.0668E+01 -5.6850E+00 H1 2456 1.008000 0.423800 -5.9637E+00 -9.9737E+00 -5.0723E+00 H2 2457 1.008000 0.423800 -4.5950E+00 -1.0557E+01 -5.7454E+00 O6 2458 15.999400 -0.847600 -3.3575E+00 -1.6811E+01 2.2034E+00 H1 2459 1.008000 0.423800 -2.7966E+00 -1.6585E+01 1.4070E+00 H2 2460 1.008000 0.423800 -3.6308E+00 -1.7772E+01 2.1563E+00 O6 2461 15.999400 -0.847600 -1.2339E+01 7.9038E+00 -5.8555E+00 H1 2462 1.008000 0.423800 -1.2874E+01 8.6668E+00 -6.2177E+00 H2 2463 1.008000 0.423800 -1.2612E+01 7.7241E+00 -4.9104E+00 O6 2464 15.999400 -0.847600 -1.4153E+01 9.8762E+00 -1.6100E+01 H1 2465 1.008000 0.423800 -1.3583E+01 1.0664E+01 -1.6333E+01 H2 2466 1.008000 0.423800 -1.3983E+01 9.6105E+00 -1.5151E+01 O6 2467 15.999400 -0.847600 -1.5448E+01 -1.8241E+01 -1.8694E+01 H1 2468 1.008000 0.423800 -1.5057E+01 -1.7321E+01 -1.8729E+01 H2 2469 1.008000 0.423800 -1.6443E+01 -1.8182E+01 -1.8765E+01 O6 2470 15.999400 -0.847600 1.0101E+01 2.0608E+00 -7.4462E+00 H1 2471 1.008000 0.423800 9.1017E+00 2.0862E+00 -7.4531E+00 H2 2472 1.008000 0.423800 1.0410E+01 1.1490E+00 -7.1747E+00 O6 2473 15.999400 -0.847600 -1.1854E+00 4.7030E+00 2.0303E+00 H1 2474 1.008000 0.423800 -1.3915E+00 3.7494E+00 1.8107E+00 H2 2475 1.008000 0.423800 -1.2556E+00 5.2584E+00 1.2018E+00 O6 2476 15.999400 -0.847600 -2.9373E+00 2.5886E-02 -1.0433E+01 H1 2477 1.008000 0.423800 -2.3377E+00 -7.5887E-01 -1.0591E+01 H2 2478 1.008000 0.423800 -3.4510E+00 2.2529E-01 -1.1268E+01 O6 2479 15.999400 -0.847600 7.8733E+00 1.9477E+01 1.0340E+01 H1 2480 1.008000 0.423800 7.4710E+00 1.8562E+01 1.0299E+01 H2 2481 1.008000 0.423800 7.1509E+00 -1.8935E+01 1.0253E+01 O6 2482 15.999400 -0.847600 -1.2552E+01 8.8386E+00 1.6493E+01 H1 2483 1.008000 0.423800 -1.3140E+01 8.6681E+00 1.5702E+01 H2 2484 1.008000 0.423800 -1.2538E+01 9.8183E+00 1.6693E+01 O6 2485 15.999400 -0.847600 1.1910E+01 8.5269E+00 -1.9034E+01 H1 2486 1.008000 0.423800 1.2752E+01 8.8373E+00 -1.8592E+01 H2 2487 1.008000 0.423800 1.1347E+01 8.0356E+00 -1.8370E+01 O6 2488 15.999400 -0.847600 -7.2765E+00 -4.5828E+00 4.2677E+00 H1 2489 1.008000 0.423800 -7.0784E+00 -4.1019E+00 3.4136E+00 H2 2490 1.008000 0.423800 -6.9535E+00 -5.5269E+00 4.2012E+00 O6 2491 15.999400 -0.847600 -8.9501E+00 2.0861E+00 3.1028E+00 H1 2492 1.008000 0.423800 -9.1070E+00 1.1051E+00 3.2171E+00 H2 2493 1.008000 0.423800 -8.5109E+00 2.4512E+00 3.9236E+00 O6 2494 15.999400 -0.847600 6.9029E+00 -1.4939E+01 -6.0261E+00 H1 2495 1.008000 0.423800 6.6416E+00 -1.5902E+01 -6.0809E+00 H2 2496 1.008000 0.423800 6.4126E+00 -1.4420E+01 -6.7265E+00 O6 2497 15.999400 -0.847600 -1.8361E+01 -1.1824E+01 6.0539E+00 H1 2498 1.008000 0.423800 -1.8831E+01 -1.2292E+01 5.3052E+00 H2 2499 1.008000 0.423800 -1.8203E+01 -1.0869E+01 5.8024E+00 O6 2500 15.999400 -0.847600 -1.4444E+00 5.8953E+00 1.2531E+01 H1 2501 1.008000 0.423800 -1.9913E+00 5.1366E+00 1.2177E+01 H2 2502 1.008000 0.423800 -1.7440E+00 6.7491E+00 1.2105E+01 O6 2503 15.999400 -0.847600 -1.8115E+01 -1.8096E+00 -1.4990E+01 H1 2504 1.008000 0.423800 -1.7269E+01 -2.2057E+00 -1.4635E+01 H2 2505 1.008000 0.423800 -1.7956E+01 -1.4532E+00 -1.5911E+01 O6 2506 15.999400 -0.847600 -1.1866E+01 1.5231E+00 1.3354E+01 H1 2507 1.008000 0.423800 -1.1841E+01 1.9189E+00 1.2436E+01 H2 2508 1.008000 0.423800 -1.0991E+01 1.6851E+00 1.3811E+01 O6 2509 15.999400 -0.847600 -1.9537E+01 -1.4410E+01 -1.2478E+01 H1 2510 1.008000 0.423800 -1.9059E+01 -1.4546E+01 -1.1610E+01 H2 2511 1.008000 0.423800 1.9418E+01 -1.3432E+01 -1.2631E+01 O6 2512 15.999400 -0.847600 -1.4954E+01 -6.0088E+00 6.1578E+00 H1 2513 1.008000 0.423800 -1.4005E+01 -6.0036E+00 5.8426E+00 H2 2514 1.008000 0.423800 -1.5526E+01 -6.4805E+00 5.4865E+00 O6 2515 15.999400 -0.847600 -6.5494E+00 -8.4376E+00 -4.3720E+00 H1 2516 1.008000 0.423800 -7.2420E+00 -8.1158E+00 -3.7264E+00 H2 2517 1.008000 0.423800 -6.5349E+00 -7.8375E+00 -5.1718E+00 O6 2518 15.999400 -0.847600 1.4599E+01 -1.2347E+01 -1.2204E+01 H1 2519 1.008000 0.423800 1.4426E+01 -1.1363E+01 -1.2161E+01 H2 2520 1.008000 0.423800 1.5568E+01 -1.2523E+01 -1.2033E+01 O6 2521 15.999400 -0.847600 -8.3723E+00 1.7405E+01 -1.8840E+01 H1 2522 1.008000 0.423800 -9.1781E+00 1.6815E+01 -1.8788E+01 H2 2523 1.008000 0.423800 -7.5455E+00 1.6845E+01 -1.8799E+01 O6 2524 15.999400 -0.847600 -9.9936E+00 -7.3673E+00 -6.8487E+00 H1 2525 1.008000 0.423800 -1.0180E+01 -6.4946E+00 -7.3003E+00 H2 2526 1.008000 0.423800 -9.8563E+00 -8.0773E+00 -7.5393E+00 O6 2527 15.999400 -0.847600 -1.5474E+01 6.2614E-01 -1.5185E+01 H1 2528 1.008000 0.423800 -1.6392E+01 3.3228E-01 -1.4917E+01 H2 2529 1.008000 0.423800 -1.5482E+01 9.1083E-01 -1.6143E+01 O6 2530 15.999400 -0.847600 1.2061E+01 -7.9872E+00 2.6698E+00 H1 2531 1.008000 0.423800 1.2153E+01 -7.0067E+00 2.4955E+00 H2 2532 1.008000 0.423800 1.2829E+01 -8.4731E+00 2.2515E+00 O6 2533 15.999400 -0.847600 1.5832E-01 -1.3873E+01 1.1818E+01 H1 2534 1.008000 0.423800 3.4534E-01 -1.4578E+01 1.1133E+01 H2 2535 1.008000 0.423800 -2.6957E-02 -1.3004E+01 1.1360E+01 O6 2536 15.999400 -0.847600 2.6140E+00 -5.4504E+00 1.0715E+01 H1 2537 1.008000 0.423800 2.1973E+00 -5.8738E+00 9.9107E+00 H2 2538 1.008000 0.423800 2.6010E+00 -4.4558E+00 1.0613E+01 O6 2539 15.999400 -0.847600 1.1078E+01 1.2226E+01 1.2525E+01 H1 2540 1.008000 0.423800 1.1840E+01 1.1980E+01 1.1926E+01 H2 2541 1.008000 0.423800 1.0214E+01 1.2016E+01 1.2067E+01 O6 2542 15.999400 -0.847600 9.1244E+00 2.8190E+00 9.9094E+00 H1 2543 1.008000 0.423800 8.8181E+00 2.1013E+00 9.2840E+00 H2 2544 1.008000 0.423800 8.4538E+00 3.5607E+00 9.9195E+00 O6 2545 15.999400 -0.847600 1.1410E+01 -3.6066E+00 -1.6800E+01 H1 2546 1.008000 0.423800 1.2229E+01 -3.3785E+00 -1.6272E+01 H2 2547 1.008000 0.423800 1.0752E+01 -4.0722E+00 -1.6209E+01 O6 2548 15.999400 -0.847600 -5.7491E+00 1.5072E+01 -5.8007E+00 H1 2549 1.008000 0.423800 -5.2821E+00 1.4727E+01 -6.6148E+00 H2 2550 1.008000 0.423800 -5.4205E+00 1.4581E+01 -4.9943E+00 O6 2551 15.999400 -0.847600 1.0203E+01 -1.2171E+01 3.0879E+00 H1 2552 1.008000 0.423800 1.0047E+01 -1.3105E+01 3.4111E+00 H2 2553 1.008000 0.423800 1.1043E+01 -1.2142E+01 2.5466E+00 O6 2554 15.999400 -0.847600 1.7473E+00 -2.7465E+00 1.3984E+00 H1 2555 1.008000 0.423800 1.3065E+00 -1.9153E+00 1.0595E+00 H2 2556 1.008000 0.423800 1.6966E+00 -2.7672E+00 2.3969E+00 O6 2557 15.999400 -0.847600 -1.9519E+01 -1.4972E+01 1.6779E+01 H1 2558 1.008000 0.423800 1.9127E+01 -1.5220E+01 1.5922E+01 H2 2559 1.008000 0.423800 -1.8707E+01 -1.5542E+01 1.6905E+01 O6 2560 15.999400 -0.847600 4.9929E+00 1.6200E+01 -3.1133E+00 H1 2561 1.008000 0.423800 4.5617E+00 1.5359E+01 -3.4387E+00 H2 2562 1.008000 0.423800 5.9029E+00 1.6287E+01 -3.5189E+00 O6 2563 15.999400 -0.847600 -1.0015E+01 1.7434E+01 8.4233E+00 H1 2564 1.008000 0.423800 -9.5558E+00 1.7499E+01 7.5371E+00 H2 2565 1.008000 0.423800 -9.3707E+00 1.7672E+01 9.1503E+00 O6 2566 15.999400 -0.847600 1.6515E+01 -1.0977E+01 8.2730E+00 H1 2567 1.008000 0.423800 1.7249E+01 -1.1478E+01 8.7329E+00 H2 2568 1.008000 0.423800 1.6489E+01 -1.0037E+01 8.6136E+00 O6 2569 15.999400 -0.847600 -1.6905E+00 7.2638E+00 -1.2792E+01 H1 2570 1.008000 0.423800 -1.9579E+00 6.9835E+00 -1.1870E+01 H2 2571 1.008000 0.423800 -1.7208E+00 8.2611E+00 -1.2859E+01 O6 2572 15.999400 -0.847600 -1.4565E+01 -1.3725E+01 1.5840E+01 H1 2573 1.008000 0.423800 -1.4169E+01 -1.3621E+01 1.4928E+01 H2 2574 1.008000 0.423800 -1.5474E+01 -1.4135E+01 1.5764E+01 O6 2575 15.999400 -0.847600 9.4849E+00 1.0025E+01 8.6592E+00 H1 2576 1.008000 0.423800 9.2777E+00 9.1082E+00 8.9994E+00 H2 2577 1.008000 0.423800 8.8928E+00 1.0234E+01 7.8808E+00 O6 2578 15.999400 -0.847600 -6.2312E+00 9.6476E+00 1.6959E+01 H1 2579 1.008000 0.423800 -7.0281E+00 1.0173E+01 1.7256E+01 H2 2580 1.008000 0.423800 -5.7432E+00 9.3000E+00 1.7759E+01 O6 2581 15.999400 -0.847600 8.6004E+00 4.8848E+00 1.4630E+01 H1 2582 1.008000 0.423800 9.0617E+00 4.2155E+00 1.4048E+01 H2 2583 1.008000 0.423800 9.2000E+00 5.1341E+00 1.5391E+01 O6 2584 15.999400 -0.847600 -1.8300E+01 3.0866E+00 -1.5806E+01 H1 2585 1.008000 0.423800 -1.7618E+01 3.2853E+00 -1.6510E+01 H2 2586 1.008000 0.423800 -1.8995E+01 2.4727E+00 -1.6179E+01 O6 2587 15.999400 -0.847600 7.6031E+00 -5.0472E+00 7.0559E-01 H1 2588 1.008000 0.423800 7.1443E+00 -5.0727E+00 -1.8263E-01 H2 2589 1.008000 0.423800 7.0071E+00 -5.4501E+00 1.4002E+00 O6 2590 15.999400 -0.847600 5.6268E+00 1.1438E+01 -4.2214E+00 H1 2591 1.008000 0.423800 5.4496E+00 1.0765E+01 -4.9396E+00 H2 2592 1.008000 0.423800 6.5223E+00 1.1857E+01 -4.3711E+00 O6 2593 15.999400 -0.847600 2.5559E+00 1.0187E+01 1.4195E+01 H1 2594 1.008000 0.423800 3.2186E+00 1.0844E+01 1.3835E+01 H2 2595 1.008000 0.423800 3.0278E+00 9.5180E+00 1.4769E+01 O6 2596 15.999400 -0.847600 -1.0494E+01 8.3877E+00 1.0371E+01 H1 2597 1.008000 0.423800 -1.1448E+01 8.2408E+00 1.0109E+01 H2 2598 1.008000 0.423800 -9.9821E+00 8.7307E+00 9.5834E+00 O6 2599 15.999400 -0.847600 -1.2216E+01 1.1882E+01 -4.9638E+00 H1 2600 1.008000 0.423800 -1.3095E+01 1.1715E+01 -5.4102E+00 H2 2601 1.008000 0.423800 -1.1544E+01 1.2167E+01 -5.6475E+00 O6 2602 15.999400 -0.847600 -3.2049E+00 -1.5836E+01 1.4931E+01 H1 2603 1.008000 0.423800 -3.0752E+00 -1.5301E+01 1.5765E+01 H2 2604 1.008000 0.423800 -3.3661E+00 -1.6793E+01 1.5171E+01 O6 2605 15.999400 -0.847600 1.7595E+01 1.6114E+01 1.3197E+01 H1 2606 1.008000 0.423800 1.7940E+01 1.5514E+01 1.3920E+01 H2 2607 1.008000 0.423800 1.8261E+01 1.6154E+01 1.2452E+01 O6 2608 15.999400 -0.847600 1.5262E+01 6.2973E+00 1.5800E+01 H1 2609 1.008000 0.423800 1.5602E+01 6.9861E+00 1.5160E+01 H2 2610 1.008000 0.423800 1.4507E+01 5.7951E+00 1.5380E+01 O6 2611 15.999400 -0.847600 -3.0513E+00 4.0261E+00 -1.1561E+01 H1 2612 1.008000 0.423800 -3.3389E+00 3.6318E+00 -1.2434E+01 H2 2613 1.008000 0.423800 -3.6506E+00 3.6950E+00 -1.0833E+01 O6 2614 15.999400 -0.847600 5.2401E+00 -1.8468E+01 -1.7469E+01 H1 2615 1.008000 0.423800 5.0111E+00 -1.7569E+01 -1.7096E+01 H2 2616 1.008000 0.423800 4.7035E+00 -1.8632E+01 -1.8297E+01 O6 2617 15.999400 -0.847600 -5.9552E-01 1.2066E+01 8.4924E-01 H1 2618 1.008000 0.423800 -1.0829E+00 1.1205E+01 9.9535E-01 H2 2619 1.008000 0.423800 1.8775E-01 1.2115E+01 1.4690E+00 O6 2620 15.999400 -0.847600 1.3983E+01 1.5208E+01 -1.9398E+00 H1 2621 1.008000 0.423800 1.3168E+01 1.4711E+01 -1.6440E+00 H2 2622 1.008000 0.423800 1.3977E+01 1.6125E+01 -1.5418E+00 O6 2623 15.999400 -0.847600 -1.9877E+00 1.5451E+01 2.9441E+00 H1 2624 1.008000 0.423800 -2.3301E+00 1.5348E+01 2.0102E+00 H2 2625 1.008000 0.423800 -1.1602E+00 1.6012E+01 2.9358E+00 O6 2626 15.999400 -0.847600 6.1562E+00 9.5460E+00 -6.4701E+00 H1 2627 1.008000 0.423800 6.1959E+00 8.7285E+00 -5.8956E+00 H2 2628 1.008000 0.423800 7.0845E+00 9.8310E+00 -6.7089E+00 O6 2629 15.999400 -0.847600 -9.4317E+00 -9.3539E+00 -1.1064E+01 H1 2630 1.008000 0.423800 -9.5417E+00 -9.5754E+00 -1.0095E+01 H2 2631 1.008000 0.423800 -1.0123E+01 -9.8404E+00 -1.1598E+01 O6 2632 15.999400 -0.847600 -4.1053E+00 -2.9415E+00 9.8038E+00 H1 2633 1.008000 0.423800 -3.9368E+00 -2.5832E+00 8.8855E+00 H2 2634 1.008000 0.423800 -4.2319E+00 -3.9323E+00 9.7569E+00 O6 2635 15.999400 -0.847600 1.4577E+01 1.7075E+01 5.9276E+00 H1 2636 1.008000 0.423800 1.4519E+01 1.6319E+01 6.5795E+00 H2 2637 1.008000 0.423800 1.4246E+01 1.7914E+01 6.3598E+00 O6 2638 15.999400 -0.847600 -1.4518E+01 -1.7664E+01 -1.2580E+01 H1 2639 1.008000 0.423800 -1.5498E+01 -1.7518E+01 -1.2719E+01 H2 2640 1.008000 0.423800 -1.4314E+01 -1.8640E+01 -1.2655E+01 O6 2641 15.999400 -0.847600 1.4702E+01 7.8617E+00 4.8295E+00 H1 2642 1.008000 0.423800 1.5196E+01 8.2931E+00 5.5843E+00 H2 2643 1.008000 0.423800 1.5164E+01 8.0684E+00 3.9672E+00 O6 2644 15.999400 -0.847600 -4.5875E+00 -7.2808E+00 -8.0308E+00 H1 2645 1.008000 0.423800 -4.7490E+00 -7.3426E+00 -9.0158E+00 H2 2646 1.008000 0.423800 -5.4545E+00 -7.1161E+00 -7.5607E+00 O6 2647 15.999400 -0.847600 1.8958E+01 7.3535E+00 -1.0878E+01 H1 2648 1.008000 0.423800 1.9345E+01 6.4315E+00 -1.0891E+01 H2 2649 1.008000 0.423800 1.7960E+01 7.2957E+00 -1.0867E+01 O6 2650 15.999400 -0.847600 2.1800E+00 1.5114E+01 1.4639E+01 H1 2651 1.008000 0.423800 1.6944E+00 1.5981E+01 1.4750E+01 H2 2652 1.008000 0.423800 2.5274E+00 1.5044E+01 1.3704E+01 O6 2653 15.999400 -0.847600 -5.6046E+00 -9.8614E+00 1.9120E+01 H1 2654 1.008000 0.423800 -5.9333E+00 -9.0661E+00 -1.9468E+01 H2 2655 1.008000 0.423800 -6.2840E+00 -1.0122E+01 1.8434E+01 O6 2656 15.999400 -0.847600 -9.7986E+00 8.1056E+00 1.5264E+01 H1 2657 1.008000 0.423800 -9.7900E+00 7.1712E+00 1.4907E+01 H2 2658 1.008000 0.423800 -1.0660E+01 8.2714E+00 1.5743E+01 O6 2659 15.999400 -0.847600 -1.8104E+01 1.6332E+01 1.7324E+01 H1 2660 1.008000 0.423800 -1.9090E+01 1.6493E+01 1.7279E+01 H2 2661 1.008000 0.423800 -1.7875E+01 1.5517E+01 1.6791E+01 O6 2662 15.999400 -0.847600 -1.6484E+01 1.3683E+01 1.0318E+01 H1 2663 1.008000 0.423800 -1.6519E+01 1.3168E+01 1.1175E+01 H2 2664 1.008000 0.423800 -1.7412E+01 1.3931E+01 1.0040E+01 O6 2665 15.999400 -0.847600 -8.1233E+00 7.0348E+00 -1.5588E+01 H1 2666 1.008000 0.423800 -8.1273E+00 7.1362E+00 -1.6583E+01 H2 2667 1.008000 0.423800 -7.3207E+00 7.4954E+00 -1.5209E+01 O6 2668 15.999400 -0.847600 -8.9684E+00 7.7837E+00 -1.2374E+01 H1 2669 1.008000 0.423800 -9.1483E+00 8.4948E+00 -1.3053E+01 H2 2670 1.008000 0.423800 -9.1634E+00 6.8866E+00 -1.2770E+01 O6 2671 15.999400 -0.847600 1.7885E+01 6.3690E+00 1.4621E+01 H1 2672 1.008000 0.423800 1.7813E+01 6.0358E+00 1.5561E+01 H2 2673 1.008000 0.423800 1.7251E+01 7.1305E+00 1.4488E+01 O6 2674 15.999400 -0.847600 -1.4901E+01 -1.8217E+01 -5.1993E+00 H1 2675 1.008000 0.423800 -1.4993E+01 -1.8658E+01 -6.0925E+00 H2 2676 1.008000 0.423800 -1.5035E+01 -1.7231E+01 -5.2988E+00 O6 2677 15.999400 -0.847600 1.7416E+01 -4.4378E+00 1.7186E+01 H1 2678 1.008000 0.423800 1.7946E+01 -4.1268E+00 1.6397E+01 H2 2679 1.008000 0.423800 1.8027E+01 -4.5742E+00 1.7966E+01 O6 2680 15.999400 -0.847600 -9.3966E+00 -8.2445E-01 3.1909E+00 H1 2681 1.008000 0.423800 -9.5449E+00 -1.2480E+00 2.2973E+00 H2 2682 1.008000 0.423800 -1.0042E+01 -1.2064E+00 3.8520E+00 O6 2683 15.999400 -0.847600 6.8345E+00 2.8624E-01 -1.5894E+01 H1 2684 1.008000 0.423800 6.6127E+00 1.1545E+00 -1.6338E+01 H2 2685 1.008000 0.423800 7.4427E+00 -2.4409E-01 -1.6485E+01 O6 2686 15.999400 -0.847600 -5.2818E+00 1.7014E+01 -1.0298E+01 H1 2687 1.008000 0.423800 -4.9053E+00 1.7484E+01 -9.5002E+00 H2 2688 1.008000 0.423800 -4.5617E+00 1.6479E+01 -1.0741E+01 O6 2689 15.999400 -0.847600 1.7250E+01 2.2049E+00 8.4334E+00 H1 2690 1.008000 0.423800 1.6826E+01 1.4436E+00 7.9428E+00 H2 2691 1.008000 0.423800 1.7652E+01 1.8695E+00 9.2852E+00 O6 2692 15.999400 -0.847600 1.4049E+01 -9.8485E+00 1.6320E+00 H1 2693 1.008000 0.423800 1.4636E+01 -9.4458E+00 9.3009E-01 H2 2694 1.008000 0.423800 1.4608E+01 -1.0373E+01 2.2740E+00 O6 2695 15.999400 -0.847600 -1.3288E+00 -1.6580E+01 2.0071E-01 H1 2696 1.008000 0.423800 -4.4620E-01 -1.7015E+01 3.7856E-01 H2 2697 1.008000 0.423800 -1.1835E+00 -1.5718E+01 -2.8545E-01 O6 2698 15.999400 -0.847600 -2.9379E+00 -2.8941E+00 -1.5501E+01 H1 2699 1.008000 0.423800 -2.0563E+00 -3.3097E+00 -1.5725E+01 H2 2700 1.008000 0.423800 -3.2387E+00 -3.2141E+00 -1.4602E+01 O6 2701 15.999400 -0.847600 3.6060E+00 1.0283E+01 -1.0743E+01 H1 2702 1.008000 0.423800 2.8267E+00 1.0760E+01 -1.0336E+01 H2 2703 1.008000 0.423800 3.2758E+00 9.6016E+00 -1.1396E+01 O6 2704 15.999400 -0.847600 1.8452E+01 -1.1679E+01 -3.6234E+00 H1 2705 1.008000 0.423800 1.7650E+01 -1.1874E+01 -4.1884E+00 H2 2706 1.008000 0.423800 1.8423E+01 -1.2244E+01 -2.7988E+00 O6 2707 15.999400 -0.847600 -2.5542E+00 4.7054E+00 -1.6972E+01 H1 2708 1.008000 0.423800 -2.5907E+00 5.2086E+00 -1.6108E+01 H2 2709 1.008000 0.423800 -1.8681E+00 3.9809E+00 -1.6906E+01 O6 2710 15.999400 -0.847600 1.3702E+00 -1.5579E+01 -1.8332E+01 H1 2711 1.008000 0.423800 1.2786E+00 -1.4699E+01 -1.7865E+01 H2 2712 1.008000 0.423800 9.1955E-01 -1.6291E+01 -1.7794E+01 O6 2713 15.999400 -0.847600 -1.3212E+01 1.0221E+01 -1.3404E+01 H1 2714 1.008000 0.423800 -1.2224E+01 1.0230E+01 -1.3561E+01 H2 2715 1.008000 0.423800 -1.3512E+01 9.2834E+00 -1.3226E+01 O6 2716 15.999400 -0.847600 -1.6561E+01 9.2400E+00 -1.0898E+01 H1 2717 1.008000 0.423800 -1.5934E+01 9.9284E+00 -1.1262E+01 H2 2718 1.008000 0.423800 -1.6499E+01 8.4081E+00 -1.1449E+01 O6 2719 15.999400 -0.847600 -6.1262E+00 2.8182E+00 -2.9387E+00 H1 2720 1.008000 0.423800 -5.6370E+00 3.5448E+00 -3.4212E+00 H2 2721 1.008000 0.423800 -7.1113E+00 2.9702E+00 -3.0180E+00 O6 2722 15.999400 -0.847600 1.9126E+01 -4.8306E+00 -1.2040E+01 H1 2723 1.008000 0.423800 1.8400E+01 -5.1167E+00 -1.1415E+01 H2 2724 1.008000 0.423800 1.8770E+01 -4.8040E+00 -1.2975E+01 O6 2725 15.999400 -0.847600 1.5057E+01 3.8394E+00 -1.3459E+01 H1 2726 1.008000 0.423800 1.4482E+01 4.1870E+00 -1.4200E+01 H2 2727 1.008000 0.423800 1.4861E+01 2.8699E+00 -1.3312E+01 O6 2728 15.999400 -0.847600 -1.2279E+01 -3.1896E+00 3.1595E+00 H1 2729 1.008000 0.423800 -1.2795E+01 -2.6445E+00 2.4985E+00 H2 2730 1.008000 0.423800 -1.1785E+01 -2.5808E+00 3.7805E+00 O6 2731 15.999400 -0.847600 -5.9619E-01 -1.6807E+01 -7.2820E+00 H1 2732 1.008000 0.423800 -8.0440E-01 -1.6273E+01 -8.1011E+00 H2 2733 1.008000 0.423800 -6.2580E-01 -1.6212E+01 -6.4791E+00 O6 2734 15.999400 -0.847600 6.1068E+00 -1.2285E+00 -7.3013E+00 H1 2735 1.008000 0.423800 6.5163E+00 -1.1393E+00 -8.2093E+00 H2 2736 1.008000 0.423800 5.3932E+00 -5.3711E-01 -7.1883E+00 O6 2737 15.999400 -0.847600 -1.2360E+01 -6.9904E+00 -1.2236E+01 H1 2738 1.008000 0.423800 -1.2129E+01 -7.8971E+00 -1.1882E+01 H2 2739 1.008000 0.423800 -1.3184E+01 -6.6549E+00 -1.1779E+01 O6 2740 15.999400 -0.847600 4.0731E+00 -1.5994E+01 3.7996E+00 H1 2741 1.008000 0.423800 4.0303E+00 -1.6429E+01 4.6988E+00 H2 2742 1.008000 0.423800 4.4440E+00 -1.5070E+01 3.8940E+00 O6 2743 15.999400 -0.847600 -1.4714E+01 1.1216E+01 1.4375E+01 H1 2744 1.008000 0.423800 -1.4678E+01 1.0223E+01 1.4486E+01 H2 2745 1.008000 0.423800 -1.4060E+01 1.1497E+01 1.3672E+01 O6 2746 15.999400 -0.847600 1.6711E+00 1.3634E+01 -8.6823E+00 H1 2747 1.008000 0.423800 1.8952E+00 1.4604E+01 -8.5892E+00 H2 2748 1.008000 0.423800 1.8371E+00 1.3169E+01 -7.8129E+00 O6 2749 15.999400 -0.847600 -1.1286E+01 1.4028E+01 7.1130E+00 H1 2750 1.008000 0.423800 -1.1667E+01 1.4377E+01 7.9692E+00 H2 2751 1.008000 0.423800 -1.0736E+01 1.4740E+01 6.6785E+00 O6 2752 15.999400 -0.847600 3.9455E+00 5.0114E+00 1.6031E+01 H1 2753 1.008000 0.423800 3.4903E+00 5.6735E+00 1.6626E+01 H2 2754 1.008000 0.423800 3.3690E+00 4.2002E+00 1.5932E+01 O6 2755 15.999400 -0.847600 5.8587E+00 -5.0129E+00 -8.4057E+00 H1 2756 1.008000 0.423800 4.9787E+00 -5.4672E+00 -8.5442E+00 H2 2757 1.008000 0.423800 6.0170E+00 -4.3601E+00 -9.1465E+00 O6 2758 15.999400 -0.847600 -4.5030E+00 -1.2148E+01 3.0408E+00 H1 2759 1.008000 0.423800 -4.1950E+00 -1.1624E+01 2.2468E+00 H2 2760 1.008000 0.423800 -4.5852E+00 -1.1540E+01 3.8302E+00 O6 2761 15.999400 -0.847600 1.7335E+01 -6.3544E+00 3.2918E+00 H1 2762 1.008000 0.423800 1.8006E+01 -5.6387E+00 3.4853E+00 H2 2763 1.008000 0.423800 1.6472E+01 -6.1332E+00 3.7453E+00 O6 2764 15.999400 -0.847600 -1.8973E+01 -1.9421E+01 1.3891E+01 H1 2765 1.008000 0.423800 1.9320E+01 1.9088E+01 1.3971E+01 H2 2766 1.008000 0.423800 -1.8639E+01 -1.9188E+01 1.4805E+01 O6 2767 15.999400 -0.847600 -2.5932E+00 1.4757E+01 -1.3610E+01 H1 2768 1.008000 0.423800 -2.0280E+00 1.5442E+01 -1.4069E+01 H2 2769 1.008000 0.423800 -2.8074E+00 1.5067E+01 -1.2684E+01 O6 2770 15.999400 -0.847600 7.2928E+00 -6.8448E-01 3.2438E+00 H1 2771 1.008000 0.423800 7.6114E+00 9.9507E-02 3.7767E+00 H2 2772 1.008000 0.423800 6.3663E+00 -5.0743E-01 2.9118E+00 O6 2773 15.999400 -0.847600 -3.3183E+00 1.6490E+01 1.5381E+01 H1 2774 1.008000 0.423800 -3.6823E+00 1.6515E+01 1.4449E+01 H2 2775 1.008000 0.423800 -4.0600E+00 1.6298E+01 1.6023E+01 O6 2776 15.999400 -0.847600 1.0741E+01 -7.1346E-01 -7.1362E+00 H1 2777 1.008000 0.423800 1.1685E+01 -7.6502E-01 -6.8093E+00 H2 2778 1.008000 0.423800 1.0653E+01 -1.2382E+00 -7.9828E+00 O6 2779 15.999400 -0.847600 6.2543E+00 -1.2073E+01 1.6945E+01 H1 2780 1.008000 0.423800 6.6031E+00 -1.1171E+01 1.6690E+01 H2 2781 1.008000 0.423800 5.6554E+00 -1.2416E+01 1.6222E+01 O6 2782 15.999400 -0.847600 1.6633E+01 -1.6086E+01 1.0409E+01 H1 2783 1.008000 0.423800 1.6703E+01 -1.6898E+01 9.8287E+00 H2 2784 1.008000 0.423800 1.6081E+01 -1.6299E+01 1.1215E+01 O6 2785 15.999400 -0.847600 -1.9196E+00 1.2511E+01 1.9166E+01 H1 2786 1.008000 0.423800 -1.7549E+00 1.2483E+01 1.8180E+01 H2 2787 1.008000 0.423800 -2.8906E+00 1.2355E+01 1.9346E+01 O6 2788 15.999400 -0.847600 9.7587E+00 4.8769E+00 -6.0318E-01 H1 2789 1.008000 0.423800 9.6711E+00 3.8868E+00 -7.1284E-01 H2 2790 1.008000 0.423800 9.4651E+00 5.1376E+00 3.1650E-01 O6 2791 15.999400 -0.847600 -6.1662E+00 1.2268E+01 -9.0442E+00 H1 2792 1.008000 0.423800 -6.5637E+00 1.1911E+01 -9.8894E+00 H2 2793 1.008000 0.423800 -6.7033E+00 1.1951E+01 -8.2629E+00 O6 2794 15.999400 -0.847600 8.6902E+00 -5.2112E-01 1.5861E+01 H1 2795 1.008000 0.423800 9.2666E+00 -9.6190E-01 1.6549E+01 H2 2796 1.008000 0.423800 8.2444E+00 2.7886E-01 1.6262E+01 O6 2797 15.999400 -0.847600 -7.5808E+00 1.1030E+01 -6.3443E+00 H1 2798 1.008000 0.423800 -7.7194E+00 1.1353E+01 -5.4083E+00 H2 2799 1.008000 0.423800 -8.3809E+00 1.0506E+01 -6.6379E+00 O6 2800 15.999400 -0.847600 -5.0848E+00 -6.1891E+00 -1.3356E+01 H1 2801 1.008000 0.423800 -6.0318E+00 -5.8967E+00 -1.3222E+01 H2 2802 1.008000 0.423800 -5.0325E+00 -6.7993E+00 -1.4146E+01 O6 2803 15.999400 -0.847600 7.8806E+00 1.2660E+00 7.9347E+00 H1 2804 1.008000 0.423800 7.0270E+00 1.7750E+00 8.0464E+00 H2 2805 1.008000 0.423800 8.0946E+00 1.1839E+00 6.9613E+00 O6 2806 15.999400 -0.847600 8.6959E+00 -3.6256E+00 -1.0516E+01 H1 2807 1.008000 0.423800 8.7390E+00 -3.4747E+00 -1.1504E+01 H2 2808 1.008000 0.423800 7.7546E+00 -3.8356E+00 -1.0252E+01 O6 2809 15.999400 -0.847600 -1.2724E+01 4.5562E+00 -1.7841E+01 H1 2810 1.008000 0.423800 -1.2545E+01 4.2864E+00 -1.6895E+01 H2 2811 1.008000 0.423800 -1.2595E+01 3.7677E+00 -1.8442E+01 O6 2812 15.999400 -0.847600 -1.7479E+01 5.3164E+00 6.1149E+00 H1 2813 1.008000 0.423800 -1.7721E+01 5.2191E+00 7.0804E+00 H2 2814 1.008000 0.423800 -1.7078E+01 4.4622E+00 5.7842E+00 O6 2815 15.999400 -0.847600 1.8285E+01 1.3000E+01 -1.5095E+01 H1 2816 1.008000 0.423800 1.9006E+01 1.3691E+01 -1.5137E+01 H2 2817 1.008000 0.423800 1.8611E+01 1.2152E+01 -1.5513E+01 O6 2818 15.999400 -0.847600 7.9775E+00 6.3426E+00 6.5810E+00 H1 2819 1.008000 0.423800 7.3085E+00 7.0459E+00 6.3405E+00 H2 2820 1.008000 0.423800 7.8212E+00 6.0417E+00 7.5217E+00 O6 2821 15.999400 -0.847600 1.4525E+01 1.0079E+01 -2.6356E+00 H1 2822 1.008000 0.423800 1.5467E+01 1.0338E+01 -2.4221E+00 H2 2823 1.008000 0.423800 1.4054E+01 1.0853E+01 -3.0593E+00 O6 2824 15.999400 -0.847600 -3.0863E+00 -3.2062E+00 -3.6674E+00 H1 2825 1.008000 0.423800 -2.4236E+00 -3.8230E+00 -4.0921E+00 H2 2826 1.008000 0.423800 -3.4261E+00 -2.5603E+00 -4.3509E+00 O6 2827 15.999400 -0.847600 8.5853E+00 -1.4916E+01 6.0369E+00 H1 2828 1.008000 0.423800 8.9836E+00 -1.5281E+01 6.8784E+00 H2 2829 1.008000 0.423800 8.2059E+00 -1.4008E+01 6.2146E+00 O6 2830 15.999400 -0.847600 -1.3879E+01 9.9942E+00 -7.0430E+00 H1 2831 1.008000 0.423800 -1.4332E+01 1.0753E+01 -7.5113E+00 H2 2832 1.008000 0.423800 -1.4456E+01 9.6731E+00 -6.2925E+00 O6 2833 15.999400 -0.847600 -1.0016E+01 8.6185E+00 -7.8749E-01 H1 2834 1.008000 0.423800 -1.0582E+01 9.4422E+00 -8.3008E-01 H2 2835 1.008000 0.423800 -9.5850E+00 8.4642E+00 -1.6763E+00 O6 2836 15.999400 -0.847600 4.9263E+00 -5.3582E+00 6.9982E+00 H1 2837 1.008000 0.423800 5.6258E+00 -5.7904E+00 7.5673E+00 H2 2838 1.008000 0.423800 5.1558E+00 -4.3944E+00 6.8625E+00 O6 2839 15.999400 -0.847600 -1.5774E+01 -7.5191E+00 1.6157E+01 H1 2840 1.008000 0.423800 -1.6224E+01 -6.8210E+00 1.6714E+01 H2 2841 1.008000 0.423800 -1.5573E+01 -7.1444E+00 1.5251E+01 O6 2842 15.999400 -0.847600 -1.6350E+01 -1.8596E+00 -2.4970E-01 H1 2843 1.008000 0.423800 -1.6961E+01 -2.3341E+00 -8.8326E-01 H2 2844 1.008000 0.423800 -1.6623E+01 -9.0009E-01 -1.7944E-01 O6 2845 15.999400 -0.847600 -8.4680E+00 4.5019E+00 -1.3963E+00 H1 2846 1.008000 0.423800 -7.9486E+00 5.2449E+00 -9.7417E-01 H2 2847 1.008000 0.423800 -8.6562E+00 3.7966E+00 -7.1283E-01 O6 2848 15.999400 -0.847600 -1.1348E+01 -1.7834E+01 1.3113E+01 H1 2849 1.008000 0.423800 -1.2273E+01 -1.7454E+01 1.3118E+01 H2 2850 1.008000 0.423800 -1.0861E+01 -1.7537E+01 1.3935E+01 O6 2851 15.999400 -0.847600 -1.0961E+01 -4.8824E-01 -1.5006E+01 H1 2852 1.008000 0.423800 -1.0574E+01 -1.4079E+00 -1.5068E+01 H2 2853 1.008000 0.423800 -1.1934E+01 -5.5104E-01 -1.4782E+01 O6 2854 15.999400 -0.847600 -1.0575E+01 -1.9395E+01 -7.5404E+00 H1 2855 1.008000 0.423800 -9.5974E+00 -1.9258E+01 -7.7030E+00 H2 2856 1.008000 0.423800 -1.0718E+01 1.8820E+01 -7.0925E+00 O6 2857 15.999400 -0.847600 3.6836E+00 -1.1789E+01 1.0561E+01 H1 2858 1.008000 0.423800 4.5250E+00 -1.1446E+01 1.0143E+01 H2 2859 1.008000 0.423800 2.9045E+00 -1.1560E+01 9.9771E+00 O6 2860 15.999400 -0.847600 -5.6815E+00 -3.9660E+00 -2.6708E+00 H1 2861 1.008000 0.423800 -4.6953E+00 -3.8009E+00 -2.6830E+00 H2 2862 1.008000 0.423800 -5.9746E+00 -4.2997E+00 -3.5667E+00 O6 2863 15.999400 -0.847600 8.1401E+00 -2.9624E+00 1.9506E+01 H1 2864 1.008000 0.423800 7.8817E+00 -3.2277E+00 1.8577E+01 H2 2865 1.008000 0.423800 7.3381E+00 -2.6074E+00 -1.9111E+01 O6 2866 15.999400 -0.847600 6.0620E+00 -3.1942E+00 5.7610E+00 H1 2867 1.008000 0.423800 5.5574E+00 -3.3643E+00 4.9145E+00 H2 2868 1.008000 0.423800 6.9978E+00 -2.9184E+00 5.5414E+00 O6 2869 15.999400 -0.847600 -1.7189E+01 -1.5143E+01 3.2070E+00 H1 2870 1.008000 0.423800 -1.6244E+01 -1.5432E+01 3.3630E+00 H2 2871 1.008000 0.423800 -1.7752E+01 -1.5943E+01 3.0010E+00 O6 2872 15.999400 -0.847600 1.5236E+01 1.6182E+01 1.2259E+01 H1 2873 1.008000 0.423800 1.6152E+01 1.6074E+01 1.2645E+01 H2 2874 1.008000 0.423800 1.4955E+01 1.5327E+01 1.1822E+01 O6 2875 15.999400 -0.847600 1.9281E+01 6.7770E+00 -1.7624E+01 H1 2876 1.008000 0.423800 1.8545E+01 6.9298E+00 -1.8282E+01 H2 2877 1.008000 0.423800 1.8914E+01 6.3194E+00 -1.6814E+01 O6 2878 15.999400 -0.847600 -3.1128E+00 -1.3150E+01 -1.7440E+01 H1 2879 1.008000 0.423800 -3.3388E+00 -1.2629E+01 -1.6616E+01 H2 2880 1.008000 0.423800 -3.8645E+00 -1.3079E+01 -1.8096E+01 O6 2881 15.999400 -0.847600 -5.2988E+00 -1.6647E+01 9.5759E+00 H1 2882 1.008000 0.423800 -5.5947E+00 -1.7551E+01 9.2685E+00 H2 2883 1.008000 0.423800 -4.4007E+00 -1.6440E+01 9.1876E+00 O6 2884 15.999400 -0.847600 -2.2431E+00 9.8100E+00 -1.3103E+01 H1 2885 1.008000 0.423800 -2.6832E+00 9.6551E+00 -1.3987E+01 H2 2886 1.008000 0.423800 -2.8398E+00 1.0369E+01 -1.2527E+01 O6 2887 15.999400 -0.847600 -1.0803E+01 8.2709E+00 -1.5275E+01 H1 2888 1.008000 0.423800 -9.8672E+00 8.0122E+00 -1.5515E+01 H2 2889 1.008000 0.423800 -1.0784E+01 9.0605E+00 -1.4662E+01 O6 2890 15.999400 -0.847600 1.0797E+01 4.4192E+00 2.6770E+00 H1 2891 1.008000 0.423800 1.1466E+01 4.1934E+00 1.9692E+00 H2 2892 1.008000 0.423800 1.1274E+01 4.6899E+00 3.5130E+00 O6 2893 15.999400 -0.847600 -6.5471E+00 -8.9780E+00 -1.3722E+01 H1 2894 1.008000 0.423800 -5.8612E+00 -8.6762E+00 -1.4384E+01 H2 2895 1.008000 0.423800 -6.3499E+00 -9.9178E+00 -1.3443E+01 O6 2896 15.999400 -0.847600 -8.6633E+00 1.8381E+01 6.2140E+00 H1 2897 1.008000 0.423800 -8.5555E+00 1.9220E+01 6.7478E+00 H2 2898 1.008000 0.423800 -8.0963E+00 1.8434E+01 5.3920E+00 O6 2899 15.999400 -0.847600 -5.0366E+00 -1.8046E+01 -1.7379E+01 H1 2900 1.008000 0.423800 -5.9681E+00 -1.8394E+01 -1.7272E+01 H2 2901 1.008000 0.423800 -4.6825E+00 -1.7761E+01 -1.6489E+01 O6 2902 15.999400 -0.847600 -5.0600E-01 -3.8428E+00 -1.2742E+01 H1 2903 1.008000 0.423800 1.1059E-01 -4.6141E+00 -1.2900E+01 H2 2904 1.008000 0.423800 -1.4384E+00 -4.1053E+00 -1.2991E+01 O6 2905 15.999400 -0.847600 -9.3199E+00 1.6013E+01 1.1491E+01 H1 2906 1.008000 0.423800 -9.0546E+00 1.6898E+01 1.1109E+01 H2 2907 1.008000 0.423800 -9.3279E+00 1.6069E+01 1.2489E+01 O6 2908 15.999400 -0.847600 8.2048E+00 -1.5739E+01 1.6612E+01 H1 2909 1.008000 0.423800 9.0690E+00 -1.5873E+01 1.7097E+01 H2 2910 1.008000 0.423800 7.4441E+00 -1.5832E+01 1.7254E+01 O6 2911 15.999400 -0.847600 1.0669E+01 -4.7607E+00 -7.2001E+00 H1 2912 1.008000 0.423800 1.0752E+01 -3.8827E+00 -7.6716E+00 H2 2913 1.008000 0.423800 9.8552E+00 -5.2400E+00 -7.5296E+00 O6 2914 15.999400 -0.847600 -1.1142E+01 2.4978E+00 1.7323E+01 H1 2915 1.008000 0.423800 -1.1729E+01 2.7136E+00 1.6542E+01 H2 2916 1.008000 0.423800 -1.1647E+01 2.6514E+00 1.8172E+01 O6 2917 15.999400 -0.847600 6.7256E+00 -5.0806E+00 -5.8239E+00 H1 2918 1.008000 0.423800 6.1390E+00 -5.7272E+00 -5.3362E+00 H2 2919 1.008000 0.423800 6.3858E+00 -4.9605E+00 -6.7567E+00 O6 2920 15.999400 -0.847600 -1.8143E+01 -1.8125E+01 -6.2345E+00 H1 2921 1.008000 0.423800 -1.8839E+01 -1.7621E+01 -6.7468E+00 H2 2922 1.008000 0.423800 -1.8520E+01 -1.9002E+01 -5.9347E+00 O6 2923 15.999400 -0.847600 -8.8967E-01 -1.9524E+01 2.3414E+00 H1 2924 1.008000 0.423800 -6.7378E-01 -1.8885E+01 3.0798E+00 H2 2925 1.008000 0.423800 -3.9014E-01 -1.9261E+01 1.5161E+00 O6 2926 15.999400 -0.847600 1.6091E+01 -2.0934E+00 -1.6746E+01 H1 2927 1.008000 0.423800 1.6429E+01 -2.8220E+00 -1.7341E+01 H2 2928 1.008000 0.423800 1.5219E+01 -1.7535E+00 -1.7098E+01 O6 2929 15.999400 -0.847600 -1.9326E+01 8.2238E+00 1.1559E+01 H1 2930 1.008000 0.423800 -1.9235E+01 7.6957E+00 1.2404E+01 H2 2931 1.008000 0.423800 -1.9511E+01 7.6038E+00 1.0797E+01 O6 2932 15.999400 -0.847600 1.2662E+01 -2.2807E+00 9.1109E+00 H1 2933 1.008000 0.423800 1.1878E+01 -2.7915E+00 9.4618E+00 H2 2934 1.008000 0.423800 1.2472E+01 -1.9766E+00 8.1775E+00 O6 2935 15.999400 -0.847600 -2.4111E+00 -1.4977E+01 -1.4782E+01 H1 2936 1.008000 0.423800 -2.8288E+00 -1.4366E+01 -1.5454E+01 H2 2937 1.008000 0.423800 -2.7636E+00 -1.4761E+01 -1.3871E+01 O6 2938 15.999400 -0.847600 1.9526E+01 -8.5286E+00 -1.5809E+01 H1 2939 1.008000 0.423800 1.9364E+01 -8.9403E+00 -1.4912E+01 H2 2940 1.008000 0.423800 -1.9349E+01 -7.5602E+00 -1.5696E+01 O6 2941 15.999400 -0.847600 1.4325E-01 -1.3722E+01 -1.1012E+01 H1 2942 1.008000 0.423800 9.4333E-01 -1.3150E+01 -1.1190E+01 H2 2943 1.008000 0.423800 -6.7695E-01 -1.3151E+01 -1.0987E+01 O6 2944 15.999400 -0.847600 1.2620E+01 3.5655E+00 -6.9262E+00 H1 2945 1.008000 0.423800 1.1846E+01 3.1483E+00 -7.4022E+00 H2 2946 1.008000 0.423800 1.3401E+01 2.9414E+00 -6.9495E+00 O6 2947 15.999400 -0.847600 1.4286E+01 1.0269E+01 1.4671E+01 H1 2948 1.008000 0.423800 1.4234E+01 1.0921E+01 1.5427E+01 H2 2949 1.008000 0.423800 1.3371E+01 1.0117E+01 1.4298E+01 O6 2950 15.999400 -0.847600 9.3732E+00 4.7544E+00 -1.8686E+01 H1 2951 1.008000 0.423800 9.8978E+00 5.4038E+00 -1.8135E+01 H2 2952 1.008000 0.423800 9.9433E+00 4.4147E+00 -1.9434E+01 O6 2953 15.999400 -0.847600 -1.6039E+00 -1.5953E+00 -6.7665E+00 H1 2954 1.008000 0.423800 -7.9896E-01 -2.1810E+00 -6.6713E+00 H2 2955 1.008000 0.423800 -1.4035E+00 -6.9007E-01 -6.3918E+00 O6 2956 15.999400 -0.847600 9.2073E-01 1.0287E+01 -1.0328E+00 H1 2957 1.008000 0.423800 2.7652E-01 1.0099E+01 -2.9157E-01 H2 2958 1.008000 0.423800 1.8377E+00 1.0412E+01 -6.5380E-01 O6 2959 15.999400 -0.847600 1.6055E+01 -1.5839E+01 -1.0914E+00 H1 2960 1.008000 0.423800 1.5828E+01 -1.5420E+01 -2.1254E-01 H2 2961 1.008000 0.423800 1.6246E+01 -1.5123E+01 -1.7628E+00 O6 2962 15.999400 -0.847600 1.2467E+01 2.4368E+00 1.5529E+01 H1 2963 1.008000 0.423800 1.2547E+01 1.8719E+00 1.6350E+01 H2 2964 1.008000 0.423800 1.1607E+01 2.2280E+00 1.5064E+01 O6 2965 15.999400 -0.847600 -1.1886E+01 -8.9349E+00 -5.7753E+00 H1 2966 1.008000 0.423800 -1.1101E+01 -8.3411E+00 -5.9525E+00 H2 2967 1.008000 0.423800 -1.2347E+01 -9.1431E+00 -6.6375E+00 O6 2968 15.999400 -0.847600 1.1059E+00 3.6240E+00 9.9510E+00 H1 2969 1.008000 0.423800 1.2021E+00 2.6352E+00 9.8369E+00 H2 2970 1.008000 0.423800 1.3350E+00 3.8748E+00 1.0892E+01 O6 2971 15.999400 -0.847600 6.1384E+00 1.1676E+01 1.9540E+01 H1 2972 1.008000 0.423800 5.7211E+00 1.0861E+01 1.9138E+01 H2 2973 1.008000 0.423800 6.8656E+00 1.1401E+01 -1.8928E+01 O6 2974 15.999400 -0.847600 -1.5273E+01 -1.6189E+01 -1.8835E-01 H1 2975 1.008000 0.423800 -1.5208E+01 -1.5276E+01 -5.9015E-01 H2 2976 1.008000 0.423800 -1.6231E+01 -1.6476E+01 -1.6542E-01 O6 2977 15.999400 -0.847600 -4.7772E+00 -7.4908E+00 -1.0658E+01 H1 2978 1.008000 0.423800 -4.4994E+00 -7.0267E+00 -1.1499E+01 H2 2979 1.008000 0.423800 -5.7579E+00 -7.6832E+00 -1.0692E+01 O6 2980 15.999400 -0.847600 1.8795E+01 -1.4542E+00 -1.2763E+00 H1 2981 1.008000 0.423800 1.8792E+01 -1.9173E+00 -3.8994E-01 H2 2982 1.008000 0.423800 1.7965E+01 -9.0389E-01 -1.3671E+00 O6 2983 15.999400 -0.847600 4.9688E+00 -8.8609E-01 -1.1394E+01 H1 2984 1.008000 0.423800 5.0339E+00 -8.1456E-01 -1.2390E+01 H2 2985 1.008000 0.423800 4.7473E+00 9.9689E-03 -1.1010E+01 O6 2986 15.999400 -0.847600 -1.7522E+01 6.0954E+00 1.6626E+01 H1 2987 1.008000 0.423800 -1.8257E+01 6.7573E+00 1.6479E+01 H2 2988 1.008000 0.423800 -1.7625E+01 5.6781E+00 1.7529E+01 O6 2989 15.999400 -0.847600 1.1946E+01 5.2530E+00 5.0007E+00 H1 2990 1.008000 0.423800 1.2925E+01 5.1062E+00 5.1429E+00 H2 2991 1.008000 0.423800 1.1452E+01 5.0460E+00 5.8450E+00 O6 2992 15.999400 -0.847600 2.3352E+00 1.6285E+01 -8.5020E+00 H1 2993 1.008000 0.423800 2.4799E+00 1.6996E+01 -7.8144E+00 H2 2994 1.008000 0.423800 2.0901E+00 1.6709E+01 -9.3738E+00 O6 2995 15.999400 -0.847600 1.7773E+01 -1.7332E+01 1.9432E+01 H1 2996 1.008000 0.423800 1.8601E+01 -1.7640E+01 1.8964E+01 H2 2997 1.008000 0.423800 1.7100E+01 -1.7032E+01 1.8756E+01 O6 2998 15.999400 -0.847600 1.9358E+01 3.1768E+00 2.7406E+00 H1 2999 1.008000 0.423800 1.8437E+01 3.1347E+00 3.1299E+00 H2 3000 1.008000 0.423800 -1.9077E+01 2.8532E+00 3.4160E+00 O6 3001 15.999400 -0.847600 -5.9203E+00 1.7242E+01 -1.5707E+01 H1 3002 1.008000 0.423800 -5.1241E+00 1.7415E+01 -1.6287E+01 H2 3003 1.008000 0.423800 -6.0065E+00 1.6260E+01 -1.5543E+01 O6 3004 15.999400 -0.847600 1.4160E+01 1.5547E+01 1.5626E+01 H1 3005 1.008000 0.423800 1.4481E+01 1.6069E+01 1.6416E+01 H2 3006 1.008000 0.423800 1.4114E+01 1.6147E+01 1.4827E+01 O6 3007 15.999400 -0.847600 -5.0412E+00 2.7288E-01 -1.2588E+01 H1 3008 1.008000 0.423800 -4.6858E+00 4.0989E-01 -1.3513E+01 H2 3009 1.008000 0.423800 -5.4297E+00 -6.4552E-01 -1.2513E+01 O6 3010 15.999400 -0.847600 -1.6153E+01 -6.8684E+00 -1.6084E+01 H1 3011 1.008000 0.423800 -1.6201E+01 -7.6120E+00 -1.6751E+01 H2 3012 1.008000 0.423800 -1.6112E+01 -7.2506E+00 -1.5161E+01 O6 3013 15.999400 -0.847600 1.5026E+01 -4.3533E+00 -1.6901E+00 H1 3014 1.008000 0.423800 1.4197E+01 -4.7450E+00 -1.2922E+00 H2 3015 1.008000 0.423800 1.5061E+01 -4.5676E+00 -2.6662E+00 O6 3016 15.999400 -0.847600 2.6553E-01 -1.7622E+01 1.7341E+01 H1 3017 1.008000 0.423800 4.1501E-01 -1.7544E+01 1.6355E+01 H2 3018 1.008000 0.423800 -1.3201E-01 -1.6772E+01 1.7685E+01 O6 3019 15.999400 -0.847600 -4.0839E+00 1.3171E+01 1.4050E+01 H1 3020 1.008000 0.423800 -4.1648E+00 1.2341E+01 1.4602E+01 H2 3021 1.008000 0.423800 -3.1702E+00 1.3561E+01 1.4166E+01 O6 3022 15.999400 -0.847600 1.5564E+01 -1.4806E+01 1.4646E+01 H1 3023 1.008000 0.423800 1.5682E+01 -1.5146E+01 1.5579E+01 H2 3024 1.008000 0.423800 1.4602E+01 -1.4579E+01 1.4493E+01 O6 3025 15.999400 -0.847600 -5.0786E+00 -2.7238E+00 -1.2636E-01 H1 3026 1.008000 0.423800 -5.3879E+00 -3.2331E+00 -9.2951E-01 H2 3027 1.008000 0.423800 -5.8016E+00 -2.1007E+00 1.7194E-01 O6 3028 15.999400 -0.847600 -1.3051E+01 4.0662E+00 -8.8948E+00 H1 3029 1.008000 0.423800 -1.2672E+01 3.1562E+00 -9.0637E+00 H2 3030 1.008000 0.423800 -1.3945E+01 3.9787E+00 -8.4543E+00 O6 3031 15.999400 -0.847600 1.5454E+01 1.6144E+01 3.6724E+00 H1 3032 1.008000 0.423800 1.5140E+01 1.6513E+01 4.5474E+00 H2 3033 1.008000 0.423800 1.5655E+01 1.5170E+01 3.7741E+00 O6 3034 15.999400 -0.847600 1.0284E+00 1.3682E+01 1.8838E+01 H1 3035 1.008000 0.423800 7.9231E-01 1.4624E+01 1.8602E+01 H2 3036 1.008000 0.423800 2.2952E-01 1.3227E+01 1.9232E+01 O6 3037 15.999400 -0.847600 6.1561E+00 1.9521E+01 1.4404E+00 H1 3038 1.008000 0.423800 6.2436E+00 -1.9483E+01 2.4322E+00 H2 3039 1.008000 0.423800 5.1967E+00 1.9368E+01 1.2034E+00 O6 3040 15.999400 -0.847600 -1.0305E+01 -1.2859E+01 1.5697E+01 H1 3041 1.008000 0.423800 -9.3444E+00 -1.2884E+01 1.5976E+01 H2 3042 1.008000 0.423800 -1.0378E+01 -1.3105E+01 1.4731E+01 O6 3043 15.999400 -0.847600 1.6288E+01 -1.4977E+01 1.4859E+00 H1 3044 1.008000 0.423800 1.6465E+01 -1.5961E+01 1.5239E+00 H2 3045 1.008000 0.423800 1.5758E+01 -1.4703E+01 2.2886E+00 O6 3046 15.999400 -0.847600 1.5202E+01 -6.1310E+00 1.6652E+01 H1 3047 1.008000 0.423800 1.6032E+01 -5.5738E+00 1.6636E+01 H2 3048 1.008000 0.423800 1.4838E+01 -6.2131E+00 1.5724E+01 O6 3049 15.999400 -0.847600 1.6198E+01 -1.3676E+01 -2.7069E+00 H1 3050 1.008000 0.423800 1.5988E+01 -1.3823E+01 -3.6735E+00 H2 3051 1.008000 0.423800 1.5869E+01 -1.2773E+01 -2.4286E+00 O6 3052 15.999400 -0.847600 -1.1782E+01 -1.8983E+00 -1.1167E+01 H1 3053 1.008000 0.423800 -1.1310E+01 -1.8557E+00 -1.2048E+01 H2 3054 1.008000 0.423800 -1.2714E+01 -1.5525E+00 -1.1272E+01 O6 3055 15.999400 -0.847600 -4.8388E+00 -8.8955E+00 1.5965E+01 H1 3056 1.008000 0.423800 -5.6393E+00 -9.2693E+00 1.6434E+01 H2 3057 1.008000 0.423800 -4.2648E+00 -9.6454E+00 1.5637E+01 O6 3058 15.999400 -0.847600 8.0230E+00 -7.8677E+00 4.1048E+00 H1 3059 1.008000 0.423800 8.6216E+00 -8.0110E+00 4.8930E+00 H2 3060 1.008000 0.423800 8.5448E+00 -7.4488E+00 3.3618E+00 O6 3061 15.999400 -0.847600 1.3437E+01 8.9325E+00 1.7435E+01 H1 3062 1.008000 0.423800 1.4375E+01 8.9193E+00 1.7782E+01 H2 3063 1.008000 0.423800 1.2802E+01 8.7432E+00 1.8183E+01 O6 3064 15.999400 -0.847600 3.6068E+00 -1.5449E+01 1.6548E+01 H1 3065 1.008000 0.423800 3.5493E+00 -1.5871E+01 1.7453E+01 H2 3066 1.008000 0.423800 4.5197E+00 -1.5062E+01 1.6418E+01 O6 3067 15.999400 -0.847600 2.5746E+00 1.4018E+01 -9.5633E-01 H1 3068 1.008000 0.423800 2.8589E+00 1.4951E+01 -1.1781E+00 H2 3069 1.008000 0.423800 3.2351E+00 1.3369E+01 -1.3345E+00 O6 3070 15.999400 -0.847600 -1.7147E+01 -1.7347E+01 -1.3077E+01 H1 3071 1.008000 0.423800 -1.7736E+01 -1.7854E+01 -1.3707E+01 H2 3072 1.008000 0.423800 -1.6907E+01 -1.6465E+01 -1.3482E+01 O6 3073 15.999400 -0.847600 -3.9095E-01 -1.5863E+01 3.0849E+00 H1 3074 1.008000 0.423800 -9.2901E-01 -1.5444E+01 3.8160E+00 H2 3075 1.008000 0.423800 1.5901E-01 -1.6609E+01 3.4616E+00 O6 3076 15.999400 -0.847600 3.3986E+00 -1.6348E+01 1.9017E+01 H1 3077 1.008000 0.423800 3.6390E+00 -1.7313E+01 1.9130E+01 H2 3078 1.008000 0.423800 2.5701E+00 -1.6148E+01 1.9540E+01 O6 3079 15.999400 -0.847600 -1.5502E+01 1.5613E+01 4.1171E-01 H1 3080 1.008000 0.423800 -1.6130E+01 1.5472E+01 -3.5406E-01 H2 3081 1.008000 0.423800 -1.4880E+01 1.4833E+01 4.7997E-01 O6 3082 15.999400 -0.847600 -1.9063E+01 1.8383E+01 -5.3721E+00 H1 3083 1.008000 0.423800 -1.8792E+01 1.7815E+01 -6.1493E+00 H2 3084 1.008000 0.423800 -1.8993E+01 1.7850E+01 -4.5291E+00 O6 3085 15.999400 -0.847600 1.1739E+01 1.6256E+00 3.7171E+00 H1 3086 1.008000 0.423800 1.2328E+01 2.1724E+00 3.1223E+00 H2 3087 1.008000 0.423800 1.1175E+01 1.0176E+00 3.1589E+00 O6 3088 15.999400 -0.847600 -6.7546E+00 -2.6031E+00 1.0707E+01 H1 3089 1.008000 0.423800 -7.2492E+00 -2.3928E+00 9.8641E+00 H2 3090 1.008000 0.423800 -5.7746E+00 -2.6538E+00 1.0515E+01 O6 3091 15.999400 -0.847600 4.2874E+00 8.6510E+00 1.5495E+01 H1 3092 1.008000 0.423800 5.2447E+00 8.5313E+00 1.5758E+01 H2 3093 1.008000 0.423800 3.7438E+00 7.8965E+00 1.5862E+01 O6 3094 15.999400 -0.847600 -3.6416E+00 -1.5414E+01 7.5200E+00 H1 3095 1.008000 0.423800 -2.7070E+00 -1.5585E+01 7.8319E+00 H2 3096 1.008000 0.423800 -3.7724E+00 -1.5825E+01 6.6180E+00 O6 3097 15.999400 -0.847600 1.5692E+01 2.8088E+00 -4.5979E+00 H1 3098 1.008000 0.423800 1.5497E+01 2.5870E+00 -5.5534E+00 H2 3099 1.008000 0.423800 1.5128E+01 2.2376E+00 -4.0016E+00 O6 3100 15.999400 -0.847600 -1.7122E+01 1.6282E-01 1.7217E+01 H1 3101 1.008000 0.423800 -1.6304E+01 -2.5688E-01 1.7609E+01 H2 3102 1.008000 0.423800 -1.7759E+01 -5.5296E-01 1.6930E+01 O6 3103 15.999400 -0.847600 8.7383E+00 1.6451E+01 -8.5451E+00 H1 3104 1.008000 0.423800 8.8702E+00 1.6202E+01 -9.5047E+00 H2 3105 1.008000 0.423800 7.8027E+00 1.6231E+01 -8.2693E+00 O6 3106 15.999400 -0.847600 3.5141E+00 1.8398E+01 -6.9874E+00 H1 3107 1.008000 0.423800 3.0255E+00 1.9258E+01 -7.1347E+00 H2 3108 1.008000 0.423800 4.4949E+00 1.8546E+01 -7.1138E+00 O6 3109 15.999400 -0.847600 1.4470E+01 -8.4866E-01 1.0610E+01 H1 3110 1.008000 0.423800 1.3788E+01 -1.3923E+00 1.0121E+01 H2 3111 1.008000 0.423800 1.4140E+01 8.9755E-02 1.0710E+01 O6 3112 15.999400 -0.847600 -4.8369E+00 6.3171E-01 -1.5231E+01 H1 3113 1.008000 0.423800 -3.9988E+00 1.1128E+00 -1.5488E+01 H2 3114 1.008000 0.423800 -4.9198E+00 -2.0560E-01 -1.5772E+01 O6 3115 15.999400 -0.847600 1.7895E+01 1.2798E+01 -1.2219E+01 H1 3116 1.008000 0.423800 1.7950E+01 1.2838E+01 -1.3217E+01 H2 3117 1.008000 0.423800 1.7284E+01 1.2055E+01 -1.1948E+01 O6 3118 15.999400 -0.847600 1.7638E+00 7.1589E+00 -1.0848E+01 H1 3119 1.008000 0.423800 2.0811E+00 7.8155E+00 -1.1533E+01 H2 3120 1.008000 0.423800 2.5398E+00 6.8482E+00 -1.0300E+01 O6 3121 15.999400 -0.847600 3.3168E+00 -4.4655E-02 -1.5310E+00 H1 3122 1.008000 0.423800 4.1626E+00 -5.5913E-01 -1.6726E+00 H2 3123 1.008000 0.423800 3.2315E+00 6.5744E-01 -2.2379E+00 O6 3124 15.999400 -0.847600 1.5804E+01 9.2892E+00 1.8357E+01 H1 3125 1.008000 0.423800 1.5866E+01 1.0206E+01 1.8751E+01 H2 3126 1.008000 0.423800 1.6134E+01 9.3088E+00 1.7413E+01 O6 3127 15.999400 -0.847600 -1.0168E+01 -1.6789E+01 1.5363E+01 H1 3128 1.008000 0.423800 -1.0621E+01 -1.6029E+01 1.5829E+01 H2 3129 1.008000 0.423800 -9.3270E+00 -1.6461E+01 1.4932E+01 O6 3130 15.999400 -0.847600 1.3768E+01 5.3029E+00 8.3531E+00 H1 3131 1.008000 0.423800 1.2816E+01 5.0027E+00 8.4145E+00 H2 3132 1.008000 0.423800 1.4148E+01 5.0287E+00 7.4695E+00 O6 3133 15.999400 -0.847600 5.8001E+00 -1.0530E+01 9.4310E+00 H1 3134 1.008000 0.423800 5.9929E+00 -1.0342E+01 8.4678E+00 H2 3135 1.008000 0.423800 6.1457E+00 -9.7783E+00 9.9927E+00 O6 3136 15.999400 -0.847600 -1.1428E+01 -1.3176E+01 1.8785E+01 H1 3137 1.008000 0.423800 -1.2387E+01 -1.3134E+01 1.9066E+01 H2 3138 1.008000 0.423800 -1.1310E+01 -1.2676E+01 1.7927E+01 O6 3139 15.999400 -0.847600 4.6413E+00 -1.4761E+01 -2.8071E+00 H1 3140 1.008000 0.423800 4.2970E+00 -1.4484E+01 -3.7045E+00 H2 3141 1.008000 0.423800 4.6429E+00 -1.5759E+01 -2.7435E+00 O6 3142 15.999400 -0.847600 1.5886E+01 6.9007E+00 1.1274E+01 H1 3143 1.008000 0.423800 1.4923E+01 6.6398E+00 1.1197E+01 H2 3144 1.008000 0.423800 1.6462E+01 6.1392E+00 1.0978E+01 O6 3145 15.999400 -0.847600 -1.1301E+01 3.2585E+00 3.9539E+00 H1 3146 1.008000 0.423800 -1.0411E+01 2.8527E+00 3.7493E+00 H2 3147 1.008000 0.423800 -1.1326E+01 4.1978E+00 3.6116E+00 O6 3148 15.999400 -0.847600 -1.0674E+01 -1.2168E+01 -1.3289E+01 H1 3149 1.008000 0.423800 -1.0473E+01 -1.2892E+01 -1.3949E+01 H2 3150 1.008000 0.423800 -1.1658E+01 -1.1985E+01 -1.3284E+01 O6 3151 15.999400 -0.847600 1.8941E+00 -1.8520E+01 -7.8715E+00 H1 3152 1.008000 0.423800 1.1766E+00 -1.7870E+01 -7.6191E+00 H2 3153 1.008000 0.423800 1.8905E+00 -1.8651E+01 -8.8627E+00 O6 3154 15.999400 -0.847600 3.3007E+00 -1.9455E+01 3.7443E+00 H1 3155 1.008000 0.423800 2.8680E+00 1.9312E+01 4.5830E+00 H2 3156 1.008000 0.423800 4.2616E+00 -1.9246E+01 3.9253E+00 O6 3157 15.999400 -0.847600 -3.1245E+00 6.2941E+00 9.5819E+00 H1 3158 1.008000 0.423800 -2.7993E+00 6.9821E+00 1.0231E+01 H2 3159 1.008000 0.423800 -4.0950E+00 6.4451E+00 9.3945E+00 O6 3160 15.999400 -0.847600 -4.0948E+00 -1.8815E+01 6.5990E+00 H1 3161 1.008000 0.423800 -4.9024E+00 -1.8752E+01 7.1855E+00 H2 3162 1.008000 0.423800 -3.3762E+00 -1.9322E+01 7.0747E+00 O6 3163 15.999400 -0.847600 -1.5677E+01 -2.7805E-01 -3.9346E+00 H1 3164 1.008000 0.423800 -1.4742E+01 -6.1887E-01 -4.0389E+00 H2 3165 1.008000 0.423800 -1.6318E+01 -1.0431E+00 -3.9884E+00 O6 3166 15.999400 -0.847600 -4.2910E+00 -3.2658E+00 -1.0416E+01 H1 3167 1.008000 0.423800 -5.0894E+00 -3.3539E+00 -9.8202E+00 H2 3168 1.008000 0.423800 -3.4775E+00 -3.0955E+00 -9.8598E+00 O6 3169 15.999400 -0.847600 -7.6531E+00 2.8593E+00 5.4802E+00 H1 3170 1.008000 0.423800 -7.9088E+00 2.5883E+00 6.4082E+00 H2 3171 1.008000 0.423800 -6.6602E+00 2.8004E+00 5.3774E+00 O6 3172 15.999400 -0.847600 8.3754E+00 6.2738E+00 -2.4431E+00 H1 3173 1.008000 0.423800 8.7101E+00 5.6216E+00 -1.7630E+00 H2 3174 1.008000 0.423800 8.7955E+00 6.0767E+00 -3.3289E+00 O6 3175 15.999400 -0.847600 8.5982E+00 -4.3969E+00 -1.4245E+01 H1 3176 1.008000 0.423800 9.2675E+00 -3.6592E+00 -1.4157E+01 H2 3177 1.008000 0.423800 8.9724E+00 -5.1181E+00 -1.4828E+01 O6 3178 15.999400 -0.847600 1.3131E+01 1.5698E+01 -9.7593E+00 H1 3179 1.008000 0.423800 1.3700E+01 1.5147E+01 -9.1487E+00 H2 3180 1.008000 0.423800 1.3275E+01 1.6668E+01 -9.5646E+00 O6 3181 15.999400 -0.847600 -1.0090E+01 -3.6080E+00 -1.2019E+00 H1 3182 1.008000 0.423800 -9.2323E+00 -4.1216E+00 -1.2192E+00 H2 3183 1.008000 0.423800 -1.0304E+01 -3.2854E+00 -2.1240E+00 O6 3184 15.999400 -0.847600 2.7309E+00 8.8619E+00 1.3939E+00 H1 3185 1.008000 0.423800 2.1827E+00 8.0289E+00 1.3183E+00 H2 3186 1.008000 0.423800 3.2877E+00 8.9703E+00 5.7031E-01 O6 3187 15.999400 -0.847600 1.4328E+01 1.2944E+01 1.6000E+01 H1 3188 1.008000 0.423800 1.3575E+01 1.2573E+01 1.6544E+01 H2 3189 1.008000 0.423800 1.4129E+01 1.3895E+01 1.5762E+01 O6 3190 15.999400 -0.847600 -1.1815E+01 -5.6475E+00 -1.7969E+01 H1 3191 1.008000 0.423800 -1.2209E+01 -5.2402E+00 -1.8793E+01 H2 3192 1.008000 0.423800 -1.2340E+01 -5.3576E+00 -1.7169E+01 O6 3193 15.999400 -0.847600 -1.4259E+01 -1.6152E+01 3.4197E+00 H1 3194 1.008000 0.423800 -1.3652E+01 -1.5414E+01 3.1253E+00 H2 3195 1.008000 0.423800 -1.4099E+01 -1.6961E+01 2.8532E+00 O6 3196 15.999400 -0.847600 1.1179E+01 -9.6646E+00 1.0801E+01 H1 3197 1.008000 0.423800 1.0885E+01 -8.7114E+00 1.0871E+01 H2 3198 1.008000 0.423800 1.0564E+01 -1.0244E+01 1.1336E+01 O6 3199 15.999400 -0.847600 5.5741E+00 -1.0551E+01 -9.9602E-01 H1 3200 1.008000 0.423800 4.9830E+00 -1.0473E+01 -1.9318E-01 H2 3201 1.008000 0.423800 5.7805E+00 -1.1515E+01 -1.1655E+00 O6 3202 15.999400 -0.847600 1.8600E+01 -1.5595E+01 -1.4762E+01 H1 3203 1.008000 0.423800 1.8812E+01 -1.5355E+01 -1.3815E+01 H2 3204 1.008000 0.423800 1.7808E+01 -1.5067E+01 -1.5070E+01 O6 3205 15.999400 -0.847600 -1.9118E+01 9.6748E+00 -1.7559E+01 H1 3206 1.008000 0.423800 -1.9407E+01 8.7506E+00 -1.7810E+01 H2 3207 1.008000 0.423800 -1.8560E+01 1.0060E+01 -1.8294E+01 O6 3208 15.999400 -0.847600 1.2562E+00 6.5996E+00 6.3497E+00 H1 3209 1.008000 0.423800 3.8966E-01 6.9196E+00 6.7328E+00 H2 3210 1.008000 0.423800 1.7757E+00 6.1190E+00 7.0561E+00 O6 3211 15.999400 -0.847600 -1.9086E+01 1.1756E+01 -4.9561E+00 H1 3212 1.008000 0.423800 -1.9445E+01 1.1760E+01 -4.0230E+00 H2 3213 1.008000 0.423800 -1.9511E+01 1.1014E+01 -5.4741E+00 O6 3214 15.999400 -0.847600 -1.9079E+01 -1.0332E+01 -5.3077E+00 H1 3215 1.008000 0.423800 -1.8125E+01 -1.0612E+01 -5.1937E+00 H2 3216 1.008000 0.423800 1.9467E+01 -1.0719E+01 -4.5686E+00 O6 3217 15.999400 -0.847600 -1.2695E+01 -4.6803E+00 -8.0158E-01 H1 3218 1.008000 0.423800 -1.1809E+01 -4.2215E+00 -7.3231E-01 H2 3219 1.008000 0.423800 -1.2649E+01 -5.3890E+00 -1.5056E+00 O6 3220 15.999400 -0.847600 4.7527E+00 1.2814E+00 5.1687E+00 H1 3221 1.008000 0.423800 4.6360E+00 6.9432E-01 4.3676E+00 H2 3222 1.008000 0.423800 4.3197E+00 8.5288E-01 5.9618E+00 O6 3223 15.999400 -0.847600 -1.2569E+01 -1.0179E+01 -1.1944E+00 H1 3224 1.008000 0.423800 -1.3031E+01 -1.0834E+01 -5.9657E-01 H2 3225 1.008000 0.423800 -1.1641E+01 -1.0019E+01 -8.5801E-01 O6 3226 15.999400 -0.847600 7.4080E+00 1.0756E+01 7.0092E+00 H1 3227 1.008000 0.423800 7.0511E+00 1.0879E+01 6.0831E+00 H2 3228 1.008000 0.423800 6.6502E+00 1.0761E+01 7.6617E+00 O6 3229 15.999400 -0.847600 9.9366E+00 -6.4057E+00 -1.5593E+01 H1 3230 1.008000 0.423800 9.6864E+00 -7.0638E+00 -1.6303E+01 H2 3231 1.008000 0.423800 1.0060E+01 -6.8842E+00 -1.4724E+01 O6 3232 15.999400 -0.847600 -3.0382E+00 -9.3284E+00 1.8631E+01 H1 3233 1.008000 0.423800 -3.0571E+00 -9.1903E+00 1.7641E+01 H2 3234 1.008000 0.423800 -3.9026E+00 -9.7344E+00 1.8928E+01 O6 3235 15.999400 -0.847600 1.5080E+01 7.6231E+00 -4.1906E+00 H1 3236 1.008000 0.423800 1.5155E+01 8.5041E+00 -3.7236E+00 H2 3237 1.008000 0.423800 1.5659E+01 6.9508E+00 -3.7298E+00 O6 3238 15.999400 -0.847600 1.8521E+01 -1.9378E+01 -3.2171E+00 H1 3239 1.008000 0.423800 1.8927E+01 -1.9549E+01 -4.1149E+00 H2 3240 1.008000 0.423800 1.9221E+01 -1.9480E+01 -2.5100E+00 O6 3241 15.999400 -0.847600 1.5413E+01 3.5770E+00 -1.0462E+01 H1 3242 1.008000 0.423800 1.5641E+01 4.3409E+00 -9.8582E+00 H2 3243 1.008000 0.423800 1.6136E+01 3.4620E+00 -1.1142E+01 O6 3244 15.999400 -0.847600 1.8774E+01 -1.3061E+01 1.8399E+01 H1 3245 1.008000 0.423800 1.8327E+01 -1.3642E+01 1.9080E+01 H2 3246 1.008000 0.423800 1.9071E+01 -1.3622E+01 1.7627E+01 O6 3247 15.999400 -0.847600 -3.3858E+00 -1.6710E+01 4.9976E+00 H1 3248 1.008000 0.423800 -3.9298E+00 -1.7537E+01 5.1375E+00 H2 3249 1.008000 0.423800 -3.2599E+00 -1.6555E+01 4.0177E+00 O6 3250 15.999400 -0.847600 -2.7405E+00 -9.4729E-01 2.7880E+00 H1 3251 1.008000 0.423800 -2.9183E+00 -5.9776E-02 3.2131E+00 H2 3252 1.008000 0.423800 -2.4462E+00 -8.1073E-01 1.8421E+00 O6 3253 15.999400 -0.847600 -1.9030E+01 -1.3619E+01 -6.2155E+00 H1 3254 1.008000 0.423800 -1.9309E+01 -1.4056E+01 -5.3604E+00 H2 3255 1.008000 0.423800 -1.8033E+01 -1.3633E+01 -6.2872E+00 O6 3256 15.999400 -0.847600 1.5593E+01 -2.2110E+00 1.6830E+01 H1 3257 1.008000 0.423800 1.5644E+01 -2.1078E+00 1.5836E+01 H2 3258 1.008000 0.423800 1.5852E+01 -3.1433E+00 1.7082E+01 O6 3259 15.999400 -0.847600 -9.5361E+00 1.1138E+01 -1.7352E+01 H1 3260 1.008000 0.423800 -9.0740E+00 1.1886E+01 -1.6876E+01 H2 3261 1.008000 0.423800 -1.0510E+01 1.1151E+01 -1.7127E+01 O6 3262 15.999400 -0.847600 -5.9581E+00 -1.7115E+01 1.3825E+01 H1 3263 1.008000 0.423800 -6.2575E+00 -1.6724E+01 1.2954E+01 H2 3264 1.008000 0.423800 -5.0221E+00 -1.6821E+01 1.4018E+01 O6 3265 15.999400 -0.847600 -5.4758E+00 -4.8324E-01 -5.7705E+00 H1 3266 1.008000 0.423800 -4.9685E+00 2.1732E-02 -5.0722E+00 H2 3267 1.008000 0.423800 -5.1797E+00 -1.8560E-01 -6.6781E+00 O6 3268 15.999400 -0.847600 1.4933E+01 -1.3480E+01 1.7957E+01 H1 3269 1.008000 0.423800 1.5192E+01 -1.2565E+01 1.7647E+01 H2 3270 1.008000 0.423800 1.3953E+01 -1.3617E+01 1.7810E+01 O6 3271 15.999400 -0.847600 1.4042E+00 -5.8440E+00 -1.9244E+01 H1 3272 1.008000 0.423800 1.0498E+00 -5.0871E+00 -1.8695E+01 H2 3273 1.008000 0.423800 1.4914E+00 -6.6590E+00 -1.8671E+01 O6 3274 15.999400 -0.847600 3.4473E+00 -1.8563E+01 1.1889E+01 H1 3275 1.008000 0.423800 3.5785E+00 -1.8065E+01 1.2747E+01 H2 3276 1.008000 0.423800 3.1417E+00 -1.9494E+01 1.2088E+01 O6 3277 15.999400 -0.847600 9.2140E+00 8.8813E+00 -1.6795E+01 H1 3278 1.008000 0.423800 9.3121E+00 9.8292E+00 -1.6491E+01 H2 3279 1.008000 0.423800 8.3413E+00 8.5163E+00 -1.6470E+01 O6 3280 15.999400 -0.847600 -3.2426E+00 2.1954E+00 -7.3283E+00 H1 3281 1.008000 0.423800 -2.3018E+00 2.0349E+00 -7.6271E+00 H2 3282 1.008000 0.423800 -3.7144E+00 1.3194E+00 -7.2281E+00 O6 3283 15.999400 -0.847600 -9.5969E+00 5.3737E+00 1.4505E+01 H1 3284 1.008000 0.423800 -9.1594E+00 4.9862E+00 1.3693E+01 H2 3285 1.008000 0.423800 -9.4998E+00 4.7387E+00 1.5271E+01 O6 3286 15.999400 -0.847600 -1.7920E+01 -1.0572E+01 -1.6935E+01 H1 3287 1.008000 0.423800 -1.8720E+01 -9.9877E+00 -1.6801E+01 H2 3288 1.008000 0.423800 -1.8218E+01 -1.1501E+01 -1.7153E+01 O6 3289 15.999400 -0.847600 -1.6611E+01 -1.6057E+01 -4.6416E+00 H1 3290 1.008000 0.423800 -1.7213E+01 -1.5518E+01 -4.0527E+00 H2 3291 1.008000 0.423800 -1.7152E+01 -1.6730E+01 -5.1452E+00 O6 3292 15.999400 -0.847600 4.6377E+00 4.2877E+00 1.3509E+01 H1 3293 1.008000 0.423800 4.9820E+00 5.0200E+00 1.2921E+01 H2 3294 1.008000 0.423800 4.4294E+00 4.6571E+00 1.4414E+01 O6 3295 15.999400 -0.847600 -7.2623E+00 1.0265E+01 1.1957E+01 H1 3296 1.008000 0.423800 -6.8211E+00 1.1158E+01 1.2050E+01 H2 3297 1.008000 0.423800 -7.6241E+00 9.9787E+00 1.2844E+01 O6 3298 15.999400 -0.847600 -9.3860E+00 1.1178E+00 -2.4750E+00 H1 3299 1.008000 0.423800 -9.2203E+00 2.0206E+00 -2.8718E+00 H2 3300 1.008000 0.423800 -8.9729E+00 4.1709E-01 -3.0567E+00 O6 3301 15.999400 -0.847600 -6.8483E+00 -9.2248E+00 -7.9780E+00 H1 3302 1.008000 0.423800 -6.6335E+00 -9.7521E+00 -7.1559E+00 H2 3303 1.008000 0.423800 -7.0348E+00 -8.2754E+00 -7.7256E+00 O6 3304 15.999400 -0.847600 -9.2031E+00 -4.4287E+00 6.1197E+00 H1 3305 1.008000 0.423800 -8.4875E+00 -4.2592E+00 5.4420E+00 H2 3306 1.008000 0.423800 -9.6079E+00 -5.3288E+00 5.9588E+00 O6 3307 15.999400 -0.847600 4.3280E+00 -6.3540E-01 3.0887E+00 H1 3308 1.008000 0.423800 4.1591E+00 -1.6078E+00 3.2497E+00 H2 3309 1.008000 0.423800 3.9035E+00 -3.6185E-01 2.2256E+00 O6 3310 15.999400 -0.847600 -1.2296E+01 3.9838E+00 1.5303E+01 H1 3311 1.008000 0.423800 -1.1422E+01 4.2024E+00 1.4870E+01 H2 3312 1.008000 0.423800 -1.2435E+01 4.5802E+00 1.6093E+01 O6 3313 15.999400 -0.847600 9.6117E+00 1.5868E+01 -1.4399E+01 H1 3314 1.008000 0.423800 9.2817E+00 1.4975E+01 -1.4092E+01 H2 3315 1.008000 0.423800 9.2183E+00 1.6080E+01 -1.5293E+01 O6 3316 15.999400 -0.847600 -1.0791E+01 5.0127E+00 1.0602E+01 H1 3317 1.008000 0.423800 -9.9068E+00 5.0466E+00 1.1067E+01 H2 3318 1.008000 0.423800 -1.1406E+01 5.6914E+00 1.1004E+01 O6 3319 15.999400 -0.847600 -1.0279E+00 -1.7980E+01 -1.1558E+01 H1 3320 1.008000 0.423800 -3.6171E-01 -1.7857E+01 -1.2294E+01 H2 3321 1.008000 0.423800 -6.9295E-01 -1.7535E+01 -1.0728E+01 O6 3322 15.999400 -0.847600 -6.5639E+00 -4.5894E+00 -5.0786E+00 H1 3323 1.008000 0.423800 -7.3873E+00 -4.2096E+00 -5.5004E+00 H2 3324 1.008000 0.423800 -5.7671E+00 -4.0574E+00 -5.3649E+00 O6 3325 15.999400 -0.847600 1.3922E+01 1.1123E+00 -1.4315E+01 H1 3326 1.008000 0.423800 1.3043E+01 1.5046E+00 -1.4045E+01 H2 3327 1.008000 0.423800 1.3995E+01 1.1138E+00 -1.5312E+01 O6 3328 15.999400 -0.847600 -1.6180E+01 -8.6094E+00 -1.0222E+01 H1 3329 1.008000 0.423800 -1.6734E+01 -8.8817E+00 -1.1008E+01 H2 3330 1.008000 0.423800 -1.6752E+01 -8.1162E+00 -9.5662E+00 O6 3331 15.999400 -0.847600 6.7851E+00 -6.3176E+00 1.6255E+01 H1 3332 1.008000 0.423800 6.3630E+00 -5.9715E+00 1.7093E+01 H2 3333 1.008000 0.423800 6.4204E+00 -5.8200E+00 1.5468E+01 O6 3334 15.999400 -0.847600 -9.3450E-01 -3.0696E+00 8.6154E+00 H1 3335 1.008000 0.423800 -6.3990E-01 -2.2686E+00 9.1366E+00 H2 3336 1.008000 0.423800 -1.9176E+00 -3.0112E+00 8.4420E+00 O6 3337 15.999400 -0.847600 8.1892E+00 -4.2424E+00 9.0273E+00 H1 3338 1.008000 0.423800 7.4035E+00 -4.8005E+00 8.7605E+00 H2 3339 1.008000 0.423800 8.0167E+00 -3.2873E+00 8.7864E+00 O6 3340 15.999400 -0.847600 1.1124E+01 -7.7166E+00 1.5211E+01 H1 3341 1.008000 0.423800 1.1636E+01 -8.3635E+00 1.4646E+01 H2 3342 1.008000 0.423800 1.0544E+01 -8.2201E+00 1.5852E+01 O6 3343 15.999400 -0.847600 1.6747E+01 -1.6936E+01 -5.0753E+00 H1 3344 1.008000 0.423800 1.7233E+01 -1.7217E+01 -4.2476E+00 H2 3345 1.008000 0.423800 1.5894E+01 -1.6479E+01 -4.8223E+00 O6 3346 15.999400 -0.847600 6.5064E+00 -1.1657E+01 -4.8082E+00 H1 3347 1.008000 0.423800 6.6478E+00 -1.2337E+01 -4.0887E+00 H2 3348 1.008000 0.423800 7.0485E+00 -1.0841E+01 -4.6069E+00 O6 3349 15.999400 -0.847600 -2.7807E+00 -9.9687E+00 -1.0715E+01 H1 3350 1.008000 0.423800 -3.6966E+00 -9.5701E+00 -1.0762E+01 H2 3351 1.008000 0.423800 -2.7913E+00 -1.0878E+01 -1.1130E+01 O6 3352 15.999400 -0.847600 -1.7110E+00 1.1166E+01 4.3207E+00 H1 3353 1.008000 0.423800 -1.5969E+00 1.0860E+01 5.2659E+00 H2 3354 1.008000 0.423800 -1.3686E+00 1.0462E+01 3.6987E+00 O6 3355 15.999400 -0.847600 1.3710E+01 -7.0315E+00 -9.3651E+00 H1 3356 1.008000 0.423800 1.4109E+01 -7.9459E+00 -9.4320E+00 H2 3357 1.008000 0.423800 1.2721E+01 -7.0886E+00 -9.5053E+00 O6 3358 15.999400 -0.847600 8.7601E+00 4.6425E+00 -1.3073E+01 H1 3359 1.008000 0.423800 8.3028E+00 3.8800E+00 -1.3531E+01 H2 3360 1.008000 0.423800 8.2071E+00 5.4699E+00 -1.3171E+01 O6 3361 15.999400 -0.847600 1.1610E+00 5.6946E+00 -1.6127E+01 H1 3362 1.008000 0.423800 1.9833E+00 5.5714E+00 -1.5572E+01 H2 3363 1.008000 0.423800 3.6571E-01 5.7910E+00 -1.5529E+01 O6 3364 15.999400 -0.847600 1.4337E+01 -1.9358E+01 -1.9430E+01 H1 3365 1.008000 0.423800 1.3701E+01 1.9266E+01 -1.8820E+01 H2 3366 1.008000 0.423800 1.4020E+01 -1.9448E+01 1.8723E+01 O6 3367 15.999400 -0.847600 1.2663E+01 -5.5068E+00 1.4473E+00 H1 3368 1.008000 0.423800 1.3351E+01 -4.9145E+00 1.8669E+00 H2 3369 1.008000 0.423800 1.2711E+01 -5.4202E+00 4.5225E-01 O6 3370 15.999400 -0.847600 4.8990E+00 -2.8616E+00 -5.3212E+00 H1 3371 1.008000 0.423800 5.2691E+00 -2.2574E+00 -6.0269E+00 H2 3372 1.008000 0.423800 5.5245E+00 -3.6285E+00 -5.1775E+00 O6 3373 15.999400 -0.847600 1.2969E+01 3.4463E+00 1.7302E+00 H1 3374 1.008000 0.423800 1.2945E+01 2.7943E+00 9.7233E-01 H2 3375 1.008000 0.423800 1.3859E+01 3.9023E+00 1.7490E+00 O6 3376 15.999400 -0.847600 -7.9023E+00 7.1134E+00 -1.8431E+01 H1 3377 1.008000 0.423800 -7.9699E+00 6.1351E+00 -1.8627E+01 H2 3378 1.008000 0.423800 -8.6174E+00 7.6032E+00 -1.8929E+01 O6 3379 15.999400 -0.847600 4.0370E+00 5.9504E+00 4.1555E+00 H1 3380 1.008000 0.423800 4.5716E+00 6.0143E+00 3.3128E+00 H2 3381 1.008000 0.423800 3.0631E+00 5.9185E+00 3.9308E+00 O6 3382 15.999400 -0.847600 -4.6066E+00 -6.7164E+00 1.0704E+01 H1 3383 1.008000 0.423800 -5.1629E+00 -6.4620E+00 1.1495E+01 H2 3384 1.008000 0.423800 -5.0241E+00 -7.4979E+00 1.0240E+01 O6 3385 15.999400 -0.847600 -9.8002E+00 7.5337E-01 9.7912E+00 H1 3386 1.008000 0.423800 -1.0211E+01 3.7466E-01 8.9619E+00 H2 3387 1.008000 0.423800 -1.0323E+01 1.5524E+00 1.0087E+01 O6 3388 15.999400 -0.847600 7.0236E+00 -6.0356E+00 -1.7705E+01 H1 3389 1.008000 0.423800 6.5493E+00 -6.1254E+00 -1.8581E+01 H2 3390 1.008000 0.423800 7.8538E+00 -6.5929E+00 -1.7717E+01 O6 3391 15.999400 -0.847600 -1.1635E+01 8.6943E+00 3.0189E+00 H1 3392 1.008000 0.423800 -1.1320E+01 8.4710E+00 2.0965E+00 H2 3393 1.008000 0.423800 -1.1233E+01 8.0538E+00 3.6728E+00 O6 3394 15.999400 -0.847600 -1.6556E+01 1.8725E+01 5.7970E+00 H1 3395 1.008000 0.423800 -1.7002E+01 -1.9545E+01 6.1377E+00 H2 3396 1.008000 0.423800 -1.5776E+01 1.8977E+01 5.2250E+00 O6 3397 15.999400 -0.847600 -1.7180E+01 -6.4224E-01 1.2927E+01 H1 3398 1.008000 0.423800 -1.6619E+01 -8.4208E-01 1.3731E+01 H2 3399 1.008000 0.423800 -1.7348E+01 3.4210E-01 1.2875E+01 O6 3400 15.999400 -0.847600 -1.7549E+01 1.4812E+01 -9.2298E+00 H1 3401 1.008000 0.423800 -1.7965E+01 1.4280E+01 -9.9664E+00 H2 3402 1.008000 0.423800 -1.6580E+01 1.4957E+01 -9.4302E+00 O6 3403 15.999400 -0.847600 -1.1269E+00 1.3141E+01 -9.5396E+00 H1 3404 1.008000 0.423800 -1.3146E+00 1.3546E+01 -8.6448E+00 H2 3405 1.008000 0.423800 -1.6434E-01 1.3280E+01 -9.7727E+00 O6 3406 15.999400 -0.847600 1.6452E+01 -1.7691E+01 -1.2886E+01 H1 3407 1.008000 0.423800 1.6355E+01 -1.7863E+01 -1.3867E+01 H2 3408 1.008000 0.423800 1.7154E+01 -1.8295E+01 -1.2509E+01 O6 3409 15.999400 -0.847600 -8.2703E+00 -2.7919E+00 8.2695E+00 H1 3410 1.008000 0.423800 -9.2603E+00 -2.8433E+00 8.1378E+00 H2 3411 1.008000 0.423800 -7.8147E+00 -3.3875E+00 7.6079E+00 O6 3412 15.999400 -0.847600 -1.9886E+00 -1.3201E+01 3.7166E+00 H1 3413 1.008000 0.423800 -1.8438E+00 -1.3750E+01 2.8932E+00 H2 3414 1.008000 0.423800 -2.9462E+00 -1.2917E+01 3.7635E+00 O6 3415 15.999400 -0.847600 -9.9918E-01 2.3287E+00 1.2988E+01 H1 3416 1.008000 0.423800 -9.1543E-02 2.1490E+00 1.2608E+01 H2 3417 1.008000 0.423800 -9.3272E-01 2.4212E+00 1.3981E+01 O6 3418 15.999400 -0.847600 1.3702E+01 1.7574E+01 -5.2584E-02 H1 3419 1.008000 0.423800 1.3915E+01 1.7349E+01 8.9809E-01 H2 3420 1.008000 0.423800 1.2853E+01 1.8101E+01 -8.7648E-02 O6 3421 15.999400 -0.847600 -1.7446E+01 -5.3084E+00 1.1515E+01 H1 3422 1.008000 0.423800 -1.6500E+01 -5.1795E+00 1.1218E+01 H2 3423 1.008000 0.423800 -1.7797E+01 -4.4518E+00 1.1894E+01 O6 3424 15.999400 -0.847600 9.4185E+00 1.4974E+01 1.7638E+01 H1 3425 1.008000 0.423800 1.0376E+01 1.5113E+01 1.7892E+01 H2 3426 1.008000 0.423800 9.2768E+00 1.4017E+01 1.7385E+01 O6 3427 15.999400 -0.847600 -1.8045E+01 -7.2375E+00 -8.7838E+00 H1 3428 1.008000 0.423800 -1.8687E+01 -7.7836E+00 -8.2460E+00 H2 3429 1.008000 0.423800 -1.7693E+01 -6.4890E+00 -8.2223E+00 O6 3430 15.999400 -0.847600 -1.1683E+01 -6.1610E+00 -3.2999E+00 H1 3431 1.008000 0.423800 -1.1628E+01 -5.5351E+00 -4.0778E+00 H2 3432 1.008000 0.423800 -1.2274E+01 -6.9329E+00 -3.5346E+00 O6 3433 15.999400 -0.847600 1.6591E+01 1.7274E+01 -8.8794E+00 H1 3434 1.008000 0.423800 1.5749E+01 1.7472E+01 -8.3785E+00 H2 3435 1.008000 0.423800 1.6490E+01 1.6411E+01 -9.3739E+00 O6 3436 15.999400 -0.847600 7.3251E+00 -1.8081E+01 -1.9016E+01 H1 3437 1.008000 0.423800 6.5285E+00 -1.8160E+01 -1.8417E+01 H2 3438 1.008000 0.423800 7.3959E+00 -1.7142E+01 -1.9355E+01 O6 3439 15.999400 -0.847600 -9.2528E+00 1.7997E+01 1.7548E+01 H1 3440 1.008000 0.423800 -9.5821E+00 1.8912E+01 1.7315E+01 H2 3441 1.008000 0.423800 -8.9128E+00 1.7994E+01 1.8489E+01 O6 3442 15.999400 -0.847600 -1.0352E+01 2.3018E+00 -1.8283E+01 H1 3443 1.008000 0.423800 -1.0417E+01 2.1341E+00 -1.7299E+01 H2 3444 1.008000 0.423800 -1.1100E+01 1.8314E+00 -1.8752E+01 O6 3445 15.999400 -0.847600 1.4769E+01 -4.6832E+00 -9.5693E+00 H1 3446 1.008000 0.423800 1.4260E+01 -5.5312E+00 -9.4228E+00 H2 3447 1.008000 0.423800 1.4604E+01 -4.0591E+00 -8.8056E+00 O6 3448 15.999400 -0.847600 -1.9327E+01 1.7708E+01 9.5349E+00 H1 3449 1.008000 0.423800 1.8950E+01 1.7644E+01 8.9674E+00 H2 3450 1.008000 0.423800 -1.8562E+01 1.7267E+01 9.0658E+00 O6 3451 15.999400 -0.847600 -1.7606E+01 -1.9436E+01 1.6029E+01 H1 3452 1.008000 0.423800 -1.6813E+01 -1.9530E+01 1.5428E+01 H2 3453 1.008000 0.423800 -1.7376E+01 1.9317E+01 1.6940E+01 O6 3454 15.999400 -0.847600 9.6206E+00 1.7405E+01 6.5027E+00 H1 3455 1.008000 0.423800 1.0123E+01 1.6582E+01 6.7710E+00 H2 3456 1.008000 0.423800 1.0102E+01 1.7859E+01 5.7534E+00 O6 3457 15.999400 -0.847600 1.6992E+01 1.4841E+01 -1.0203E+01 H1 3458 1.008000 0.423800 1.7395E+01 1.4408E+01 -9.3969E+00 H2 3459 1.008000 0.423800 1.7100E+01 1.4237E+01 -1.0994E+01 O6 3460 15.999400 -0.847600 -7.3716E+00 -1.2916E+01 6.4157E-01 H1 3461 1.008000 0.423800 -6.9521E+00 -1.3487E+01 1.3471E+00 H2 3462 1.008000 0.423800 -8.2228E+00 -1.3340E+01 3.3218E-01 O6 3463 15.999400 -0.847600 9.7916E+00 1.1382E+01 -2.5291E+00 H1 3464 1.008000 0.423800 9.3088E+00 1.1212E+01 -1.6700E+00 H2 3465 1.008000 0.423800 1.0128E+01 1.0517E+01 -2.8995E+00 O6 3466 15.999400 -0.847600 -1.1960E+01 -8.1821E+00 -1.7051E+01 H1 3467 1.008000 0.423800 -1.1049E+01 -8.5795E+00 -1.7161E+01 H2 3468 1.008000 0.423800 -1.1999E+01 -7.3018E+00 -1.7524E+01 O6 3469 15.999400 -0.847600 -2.3820E+00 -2.7482E+00 1.1831E+01 H1 3470 1.008000 0.423800 -3.1571E+00 -2.7627E+00 1.1199E+01 H2 3471 1.008000 0.423800 -1.6987E+00 -3.4158E+00 1.1536E+01 O6 3472 15.999400 -0.847600 -1.9107E+00 2.1635E+00 9.1028E-01 H1 3473 1.008000 0.423800 -2.3259E+00 2.6286E+00 1.2837E-01 H2 3474 1.008000 0.423800 -1.0897E+00 1.6771E+00 6.1126E-01 O6 3475 15.999400 -0.847600 -1.8565E+00 6.3190E+00 -1.9347E+01 H1 3476 1.008000 0.423800 -2.5755E+00 5.9040E+00 -1.8790E+01 H2 3477 1.008000 0.423800 -2.2138E+00 6.5136E+00 1.8837E+01 O6 3478 15.999400 -0.847600 -1.3276E+01 1.8952E-01 5.8966E+00 H1 3479 1.008000 0.423800 -1.3410E+01 1.1778E+00 5.8234E+00 H2 3480 1.008000 0.423800 -1.2739E+01 -1.4325E-02 6.7154E+00 O6 3481 15.999400 -0.847600 -1.8346E+01 1.4543E+01 -1.8757E+01 H1 3482 1.008000 0.423800 -1.8223E+01 1.5535E+01 -1.8774E+01 H2 3483 1.008000 0.423800 -1.7611E+01 1.4125E+01 -1.8222E+01 O6 3484 15.999400 -0.847600 -1.4562E+01 -1.0910E+01 1.3350E+01 H1 3485 1.008000 0.423800 -1.4117E+01 -1.1804E+01 1.3403E+01 H2 3486 1.008000 0.423800 -1.5240E+01 -1.0918E+01 1.2615E+01 O6 3487 15.999400 -0.847600 -1.4206E+01 -1.6070E+01 -8.7550E+00 H1 3488 1.008000 0.423800 -1.3748E+01 -1.6958E+01 -8.7299E+00 H2 3489 1.008000 0.423800 -1.5197E+01 -1.6206E+01 -8.7492E+00 O6 3490 15.999400 -0.847600 -1.8543E+01 8.9316E+00 3.1852E+00 H1 3491 1.008000 0.423800 -1.8085E+01 9.0064E+00 2.2993E+00 H2 3492 1.008000 0.423800 -1.9435E+01 8.4964E+00 3.0637E+00 O6 3493 15.999400 -0.847600 1.7870E+01 -9.1951E+00 -2.3055E+00 H1 3494 1.008000 0.423800 1.8194E+01 -1.0014E+01 -2.7799E+00 H2 3495 1.008000 0.423800 1.7567E+01 -9.4413E+00 -1.3849E+00 O6 3496 15.999400 -0.847600 -1.6609E+01 1.2011E+01 1.2596E+01 H1 3497 1.008000 0.423800 -1.7533E+01 1.1956E+01 1.2975E+01 H2 3498 1.008000 0.423800 -1.5941E+01 1.1914E+01 1.3333E+01 O6 3499 15.999400 -0.847600 -1.8647E+01 1.3778E+01 -1.1718E+01 H1 3500 1.008000 0.423800 -1.8085E+01 1.3574E+01 -1.2520E+01 H2 3501 1.008000 0.423800 -1.9516E+01 1.3287E+01 -1.1787E+01 O6 3502 15.999400 -0.847600 -8.5643E+00 -1.3281E+01 -1.7204E+01 H1 3503 1.008000 0.423800 -7.6125E+00 -1.3587E+01 -1.7181E+01 H2 3504 1.008000 0.423800 -9.0467E+00 -1.3747E+01 -1.7946E+01 O6 3505 15.999400 -0.847600 9.0345E+00 -1.0333E+01 -1.9268E+01 H1 3506 1.008000 0.423800 8.8155E+00 -1.0794E+01 -1.8408E+01 H2 3507 1.008000 0.423800 9.7203E+00 -1.0864E+01 1.9332E+01 O6 3508 15.999400 -0.847600 1.9078E+01 1.2069E+01 -2.2104E+00 H1 3509 1.008000 0.423800 1.8440E+01 1.2743E+01 -2.5832E+00 H2 3510 1.008000 0.423800 -1.9119E+01 1.2489E+01 -2.0992E+00 O6 3511 15.999400 -0.847600 -2.5487E+00 -9.3492E+00 4.9850E+00 H1 3512 1.008000 0.423800 -3.4074E+00 -9.7911E+00 5.2447E+00 H2 3513 1.008000 0.423800 -1.7795E+00 -9.9120E+00 5.2874E+00 O6 3514 15.999400 -0.847600 8.8913E+00 2.6667E+00 2.4955E+00 H1 3515 1.008000 0.423800 9.6830E+00 3.2777E+00 2.4967E+00 H2 3516 1.008000 0.423800 9.1858E+00 1.7403E+00 2.2612E+00 O6 3517 15.999400 -0.847600 7.5060E+00 1.6958E-01 -1.1591E+01 H1 3518 1.008000 0.423800 6.7965E+00 -3.7362E-01 -1.1142E+01 H2 3519 1.008000 0.423800 8.2678E+00 -4.2483E-01 -1.1849E+01 O6 3520 15.999400 -0.847600 1.6735E+01 3.4316E+00 1.3976E+01 H1 3521 1.008000 0.423800 1.6743E+01 4.4242E+00 1.3856E+01 H2 3522 1.008000 0.423800 1.7674E+01 3.0965E+00 1.4047E+01 O6 3523 15.999400 -0.847600 -5.2083E+00 5.7676E+00 1.8624E+01 H1 3524 1.008000 0.423800 -4.3993E+00 5.7019E+00 1.8040E+01 H2 3525 1.008000 0.423800 -6.0184E+00 5.9133E+00 1.8056E+01 O6 3526 15.999400 -0.847600 1.4208E+01 1.4265E+01 -1.2193E+01 H1 3527 1.008000 0.423800 1.3756E+01 1.3409E+01 -1.2448E+01 H2 3528 1.008000 0.423800 1.3924E+01 1.4530E+01 -1.1272E+01 O6 3529 15.999400 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1.8918E+01 -1.7021E+01 H2 3546 1.008000 0.423800 -1.5675E+00 1.9198E+01 -1.5498E+01 O6 3547 15.999400 -0.847600 1.1887E+01 -1.8709E+01 7.4260E+00 H1 3548 1.008000 0.423800 1.0914E+01 -1.8936E+01 7.4739E+00 H2 3549 1.008000 0.423800 1.2046E+01 -1.7826E+01 7.8683E+00 O6 3550 15.999400 -0.847600 3.4256E+00 -4.8760E+00 -3.1214E+00 H1 3551 1.008000 0.423800 2.7701E+00 -5.5999E+00 -2.9063E+00 H2 3552 1.008000 0.423800 3.6222E+00 -4.8851E+00 -4.1018E+00 O6 3553 15.999400 -0.847600 -1.5831E+00 -1.8200E+01 1.3205E+01 H1 3554 1.008000 0.423800 -2.4238E+00 -1.8348E+01 1.3725E+01 H2 3555 1.008000 0.423800 -9.8100E-01 -1.7584E+01 1.3712E+01 O6 3556 15.999400 -0.847600 -3.9532E+00 1.6201E+01 4.6537E+00 H1 3557 1.008000 0.423800 -3.3458E+00 1.5902E+01 3.9176E+00 H2 3558 1.008000 0.423800 -3.4545E+00 1.6194E+01 5.5205E+00 O6 3559 15.999400 -0.847600 1.7857E+01 2.5986E+00 1.7206E+01 H1 3560 1.008000 0.423800 1.6867E+01 2.5446E+00 1.7077E+01 H2 3561 1.008000 0.423800 1.8292E+01 2.8582E+00 1.6344E+01 O6 3562 15.999400 -0.847600 -8.3920E+00 -7.7179E-01 -6.7377E+00 H1 3563 1.008000 0.423800 -8.1207E+00 1.2700E-01 -6.3933E+00 H2 3564 1.008000 0.423800 -8.3435E+00 -7.7452E-01 -7.7365E+00 O6 3565 15.999400 -0.847600 -6.0639E+00 1.4435E+01 1.5225E+01 H1 3566 1.008000 0.423800 -6.0759E+00 1.5416E+01 1.5415E+01 H2 3567 1.008000 0.423800 -5.3404E+00 1.4232E+01 1.4565E+01 O6 3568 15.999400 -0.847600 6.2753E+00 3.8531E+00 -1.6070E+01 H1 3569 1.008000 0.423800 6.2114E+00 4.6248E+00 -1.5437E+01 H2 3570 1.008000 0.423800 5.3658E+00 3.6375E+00 -1.6425E+01 O6 3571 15.999400 -0.847600 -1.0455E+01 -2.6116E+00 -8.9822E+00 H1 3572 1.008000 0.423800 -1.0980E+01 -2.3532E+00 -9.7928E+00 H2 3573 1.008000 0.423800 -9.6455E+00 -2.0284E+00 -8.9097E+00 O6 3574 15.999400 -0.847600 -9.3120E+00 -4.0066E+00 -1.7116E+01 H1 3575 1.008000 0.423800 -9.2588E+00 -3.3502E+00 -1.6363E+01 H2 3576 1.008000 0.423800 -9.6436E+00 -4.8843E+00 -1.6769E+01 O6 3577 15.999400 -0.847600 -7.3960E+00 -1.3365E+01 1.1954E+01 H1 3578 1.008000 0.423800 -6.7809E+00 -1.3663E+01 1.1224E+01 H2 3579 1.008000 0.423800 -8.1984E+00 -1.2922E+01 1.1554E+01 O6 3580 15.999400 -0.847600 -3.5901E+00 1.7762E+00 2.8579E+00 H1 3581 1.008000 0.423800 -4.4634E+00 2.1869E+00 2.5957E+00 H2 3582 1.008000 0.423800 -2.9327E+00 1.8867E+00 2.1126E+00 O6 3583 15.999400 -0.847600 -1.5600E+01 6.2540E+00 -1.5133E+01 H1 3584 1.008000 0.423800 -1.6118E+01 6.5584E+00 -1.5932E+01 H2 3585 1.008000 0.423800 -1.4623E+01 6.3916E+00 -1.5298E+01 O6 3586 15.999400 -0.847600 7.4092E-01 3.3149E+00 -4.9998E+00 H1 3587 1.008000 0.423800 -9.8572E-03 3.9478E+00 -5.1889E+00 H2 3588 1.008000 0.423800 1.5094E+00 3.5186E+00 -5.6064E+00 O6 3589 15.999400 -0.847600 6.8644E+00 1.5575E+00 1.1579E+01 H1 3590 1.008000 0.423800 6.9753E+00 1.8071E+00 1.2541E+01 H2 3591 1.008000 0.423800 7.2004E+00 2.3011E+00 1.1001E+01 O6 3592 15.999400 -0.847600 -1.9433E+01 -3.2334E+00 -1.7252E+01 H1 3593 1.008000 0.423800 -1.9147E+01 -3.3598E+00 -1.8201E+01 H2 3594 1.008000 0.423800 -1.9174E+01 -2.3179E+00 -1.6944E+01 O6 3595 15.999400 -0.847600 -8.8146E+00 -1.1049E+01 -1.8651E+00 H1 3596 1.008000 0.423800 -9.1353E+00 -1.1852E+01 -2.3675E+00 H2 3597 1.008000 0.423800 -7.8185E+00 -1.1083E+01 -1.7836E+00 O6 3598 15.999400 -0.847600 -5.0721E+00 1.0641E+01 -1.2313E+01 H1 3599 1.008000 0.423800 -4.4031E+00 1.0878E+01 -1.1609E+01 H2 3600 1.008000 0.423800 -5.4249E+00 9.7210E+00 -1.2141E+01 O6 3601 15.999400 -0.847600 1.6891E+01 2.6842E+00 3.6578E+00 H1 3602 1.008000 0.423800 1.6123E+01 3.0575E+00 3.1378E+00 H2 3603 1.008000 0.423800 1.6660E+01 1.7662E+00 3.9803E+00 O6 3604 15.999400 -0.847600 1.8936E+01 1.9197E+01 -1.3240E+01 H1 3605 1.008000 0.423800 -1.9507E+01 1.8550E+01 -1.2849E+01 H2 3606 1.008000 0.423800 1.8157E+01 1.8696E+01 -1.3618E+01 O6 3607 15.999400 -0.847600 8.0054E+00 -7.9563E+00 -1.0761E+01 H1 3608 1.008000 0.423800 8.0500E+00 -7.2811E+00 -1.0025E+01 H2 3609 1.008000 0.423800 7.0625E+00 -8.0345E+00 -1.1085E+01 O6 3610 15.999400 -0.847600 1.4722E+01 4.9849E+00 5.5182E+00 H1 3611 1.008000 0.423800 1.4794E+01 5.8329E+00 4.9930E+00 H2 3612 1.008000 0.423800 1.5639E+01 4.6356E+00 5.7131E+00 O6 3613 15.999400 -0.847600 -1.2499E+01 5.2488E+00 2.3369E+00 H1 3614 1.008000 0.423800 -1.3461E+01 4.9884E+00 2.2462E+00 H2 3615 1.008000 0.423800 -1.2208E+01 5.7400E+00 1.5160E+00 O6 3616 15.999400 -0.847600 -6.1512E+00 1.4447E+01 -3.0192E+00 H1 3617 1.008000 0.423800 -6.6223E+00 1.5329E+01 -3.0286E+00 H2 3618 1.008000 0.423800 -6.7605E+00 1.3740E+01 -3.3781E+00 O6 3619 15.999400 -0.847600 -4.0392E+00 -1.4918E+01 -4.1147E+00 H1 3620 1.008000 0.423800 -4.5756E+00 -1.4076E+01 -4.1725E+00 H2 3621 1.008000 0.423800 -4.6559E+00 -1.5701E+01 -4.0363E+00 O6 3622 15.999400 -0.847600 -1.6930E+01 -1.1126E+01 1.2028E+01 H1 3623 1.008000 0.423800 -1.7522E+01 -1.0845E+01 1.2784E+01 H2 3624 1.008000 0.423800 -1.7384E+01 -1.0931E+01 1.1159E+01 O6 3625 15.999400 -0.847600 5.0368E+00 -1.5920E+01 -1.6149E+01 H1 3626 1.008000 0.423800 4.9457E+00 -1.4977E+01 -1.6470E+01 H2 3627 1.008000 0.423800 5.9708E+00 -1.6073E+01 -1.5826E+01 O6 3628 15.999400 -0.847600 -1.6002E+01 1.3425E+01 -1.7318E+01 H1 3629 1.008000 0.423800 -1.6101E+01 1.2703E+01 -1.6633E+01 H2 3630 1.008000 0.423800 -1.5121E+01 1.3326E+01 -1.7781E+01 O6 3631 15.999400 -0.847600 1.3726E+01 -4.1250E+00 1.2619E+01 H1 3632 1.008000 0.423800 1.3808E+01 -4.8577E+00 1.3295E+01 H2 3633 1.008000 0.423800 1.3778E+01 -4.5127E+00 1.1699E+01 O6 3634 15.999400 -0.847600 -1.4971E+01 1.4637E+01 1.4979E+01 H1 3635 1.008000 0.423800 -1.4296E+01 1.3930E+01 1.4770E+01 H2 3636 1.008000 0.423800 -1.4865E+01 1.5399E+01 1.4340E+01 O6 3637 15.999400 -0.847600 4.6060E+00 -4.7356E+00 1.7767E+01 H1 3638 1.008000 0.423800 5.0408E+00 -5.4000E+00 1.8375E+01 H2 3639 1.008000 0.423800 3.7219E+00 -5.0906E+00 1.7463E+01 O6 3640 15.999400 -0.847600 5.4496E+00 2.4781E+00 7.9098E+00 H1 3641 1.008000 0.423800 4.7440E+00 1.7796E+00 7.7897E+00 H2 3642 1.008000 0.423800 5.3676E+00 3.1625E+00 7.1852E+00 O6 3643 15.999400 -0.847600 1.0283E+01 7.2959E+00 -7.2552E+00 H1 3644 1.008000 0.423800 9.4561E+00 7.2190E+00 -7.8118E+00 H2 3645 1.008000 0.423800 1.0322E+01 8.2046E+00 -6.8395E+00 O6 3646 15.999400 -0.847600 1.3729E+01 -9.9200E+00 1.0448E+01 H1 3647 1.008000 0.423800 1.3763E+01 -1.0643E+01 9.7576E+00 H2 3648 1.008000 0.423800 1.2778E+01 -9.7537E+00 1.0709E+01 O6 3649 15.999400 -0.847600 1.9240E+01 1.7000E+01 9.6118E-01 H1 3650 1.008000 0.423800 1.8563E+01 1.7464E+01 3.8937E-01 H2 3651 1.008000 0.423800 -1.8956E+01 1.7400E+01 8.0143E-01 O6 3652 15.999400 -0.847600 -1.0674E+01 1.3228E+01 -1.8919E+01 H1 3653 1.008000 0.423800 -9.9133E+00 1.2614E+01 -1.8710E+01 H2 3654 1.008000 0.423800 -1.1063E+01 1.2985E+01 1.9290E+01 O6 3655 15.999400 -0.847600 -2.3352E+00 -1.7737E+01 -1.4899E+01 H1 3656 1.008000 0.423800 -3.2743E+00 -1.7941E+01 -1.4623E+01 H2 3657 1.008000 0.423800 -2.1633E+00 -1.6757E+01 -1.4794E+01 O6 3658 15.999400 -0.847600 1.5107E+01 -1.4113E+01 3.6547E+00 H1 3659 1.008000 0.423800 1.4308E+01 -1.4677E+01 3.8642E+00 H2 3660 1.008000 0.423800 1.5761E+01 -1.4168E+01 4.4091E+00 O6 3661 15.999400 -0.847600 1.0442E+01 -1.5594E+01 1.3426E+01 H1 3662 1.008000 0.423800 1.0764E+01 -1.6495E+01 1.3716E+01 H2 3663 1.008000 0.423800 1.0334E+01 -1.5582E+01 1.2432E+01 O6 3664 15.999400 -0.847600 -5.0413E+00 9.9757E+00 -6.4860E+00 H1 3665 1.008000 0.423800 -5.9474E+00 1.0363E+01 -6.3149E+00 H2 3666 1.008000 0.423800 -5.0263E+00 9.5497E+00 -7.3906E+00 O6 3667 15.999400 -0.847600 -1.8537E+01 -1.1255E+01 1.9163E+01 H1 3668 1.008000 0.423800 -1.7552E+01 -1.1357E+01 1.9021E+01 H2 3669 1.008000 0.423800 -1.9014E+01 -1.2039E+01 1.8766E+01 O6 3670 15.999400 -0.847600 4.3458E+00 1.1490E+01 1.6047E+01 H1 3671 1.008000 0.423800 4.5825E+00 1.0552E+01 1.5794E+01 H2 3672 1.008000 0.423800 3.4115E+00 1.1689E+01 1.5751E+01 O6 3673 15.999400 -0.847600 8.8602E+00 1.7067E+01 1.3039E+01 H1 3674 1.008000 0.423800 7.8756E+00 1.7114E+01 1.3208E+01 H2 3675 1.008000 0.423800 9.3529E+00 1.7355E+01 1.3860E+01 O6 3676 15.999400 -0.847600 1.6705E+01 4.6353E+00 9.7983E+00 H1 3677 1.008000 0.423800 1.7094E+01 3.8411E+00 9.3314E+00 H2 3678 1.008000 0.423800 1.5792E+01 4.4084E+00 1.0137E+01 O6 3679 15.999400 -0.847600 -1.2195E+01 -1.1705E+01 -1.0102E+01 H1 3680 1.008000 0.423800 -1.1250E+01 -1.2033E+01 -1.0078E+01 H2 3681 1.008000 0.423800 -1.2813E+01 -1.2479E+01 -1.0235E+01 O6 3682 15.999400 -0.847600 -1.3329E+01 -8.4199E+00 1.3839E+01 H1 3683 1.008000 0.423800 -1.3843E+01 -9.2659E+00 1.3698E+01 H2 3684 1.008000 0.423800 -1.2353E+01 -8.6300E+00 1.3905E+01 O6 3685 15.999400 -0.847600 -1.3851E+01 -2.3577E+00 -1.5437E+00 H1 3686 1.008000 0.423800 -1.4753E+01 -2.2015E+00 -1.1401E+00 H2 3687 1.008000 0.423800 -1.3550E+01 -3.2885E+00 -1.3365E+00 O6 3688 15.999400 -0.847600 1.7225E+00 3.2113E+00 6.6362E+00 H1 3689 1.008000 0.423800 2.5990E+00 3.5285E+00 6.2740E+00 H2 3690 1.008000 0.423800 1.8552E+00 2.8459E+00 7.5575E+00 O6 3691 15.999400 -0.847600 -1.8811E+01 6.9428E+00 1.3733E+01 H1 3692 1.008000 0.423800 1.9330E+01 6.6806E+00 1.3865E+01 H2 3693 1.008000 0.423800 -1.8220E+01 6.1640E+00 1.3943E+01 O6 3694 15.999400 -0.847600 4.1572E+00 -1.4025E+01 -1.8539E+01 H1 3695 1.008000 0.423800 4.0465E+00 -1.4781E+01 -1.9184E+01 H2 3696 1.008000 0.423800 3.2863E+00 -1.3848E+01 -1.8080E+01 O6 3697 15.999400 -0.847600 1.2817E+01 -4.1316E+00 5.6790E+00 H1 3698 1.008000 0.423800 1.1896E+01 -4.3893E+00 5.3897E+00 H2 3699 1.008000 0.423800 1.3221E+01 -4.8773E+00 6.2091E+00 O6 3700 15.999400 -0.847600 -1.2826E+01 4.9143E-01 -6.5620E+00 H1 3701 1.008000 0.423800 -1.2798E+01 7.7105E-01 -5.6023E+00 H2 3702 1.008000 0.423800 -1.3637E+01 8.7955E-01 -6.9990E+00 O6 3703 15.999400 -0.847600 -9.4023E+00 -1.8155E+01 1.1073E+01 H1 3704 1.008000 0.423800 -8.7985E+00 -1.7360E+01 1.1138E+01 H2 3705 1.008000 0.423800 -1.0212E+01 -1.8006E+01 1.1640E+01 O6 3706 15.999400 -0.847600 -1.8945E+01 -1.8235E+01 1.8500E+01 H1 3707 1.008000 0.423800 -1.8655E+01 -1.7929E+01 1.9406E+01 H2 3708 1.008000 0.423800 -1.8367E+01 -1.7808E+01 1.7804E+01 O6 3709 15.999400 -0.847600 -1.4521E+01 9.8691E+00 7.2623E+00 H1 3710 1.008000 0.423800 -1.4794E+01 8.9086E+00 7.2059E+00 H2 3711 1.008000 0.423800 -1.5113E+01 1.0346E+01 7.9118E+00 O6 3712 15.999400 -0.847600 9.8033E-01 1.6019E+01 1.1026E+01 H1 3713 1.008000 0.423800 1.7469E+00 1.5701E+01 1.0468E+01 H2 3714 1.008000 0.423800 1.5078E-01 1.6045E+01 1.0468E+01 O6 3715 15.999400 -0.847600 -1.3718E+01 -1.6634E+01 1.2748E+01 H1 3716 1.008000 0.423800 -1.3847E+01 -1.6569E+01 1.3738E+01 H2 3717 1.008000 0.423800 -1.4607E+01 -1.6727E+01 1.2302E+01 O6 3718 15.999400 -0.847600 1.8358E+00 -1.8355E+01 6.9313E+00 H1 3719 1.008000 0.423800 1.9656E+00 -1.9283E+01 6.5829E+00 H2 3720 1.008000 0.423800 1.2418E+00 -1.8380E+01 7.7353E+00 O6 3721 15.999400 -0.847600 1.4395E+01 -1.5378E+01 -4.4213E+00 H1 3722 1.008000 0.423800 1.4050E+01 -1.5738E+01 -3.5548E+00 H2 3723 1.008000 0.423800 1.3885E+01 -1.5785E+01 -5.1787E+00 O6 3724 15.999400 -0.847600 4.6145E-01 -4.5091E+00 -6.8639E-01 H1 3725 1.008000 0.423800 -4.8458E-01 -4.2025E+00 -5.8117E-01 H2 3726 1.008000 0.423800 1.0167E+00 -3.7592E+00 -1.0461E+00 O6 3727 15.999400 -0.847600 8.5552E-01 1.4674E+01 -1.6119E+01 H1 3728 1.008000 0.423800 4.7159E-01 1.5055E+01 -1.5278E+01 H2 3729 1.008000 0.423800 1.0207E+00 1.5412E+01 -1.6774E+01 O6 3730 15.999400 -0.847600 2.0005E+00 1.0722E+00 -1.6695E+01 H1 3731 1.008000 0.423800 2.2793E+00 8.2833E-01 -1.5766E+01 H2 3732 1.008000 0.423800 1.6019E+00 2.7252E-01 -1.7144E+01 O6 3733 15.999400 -0.847600 -3.2246E+00 1.4786E+01 1.0103E+01 H1 3734 1.008000 0.423800 -4.1773E+00 1.4763E+01 9.8000E+00 H2 3735 1.008000 0.423800 -3.0163E+00 1.5690E+01 1.0477E+01 O6 3736 15.999400 -0.847600 1.1948E+01 9.0795E+00 1.3711E+01 H1 3737 1.008000 0.423800 1.2416E+01 9.1603E+00 1.2831E+01 H2 3738 1.008000 0.423800 1.1090E+01 8.5807E+00 1.3587E+01 O6 3739 15.999400 -0.847600 1.9017E+00 -2.2153E+00 4.3381E+00 H1 3740 1.008000 0.423800 1.8955E+00 -1.2176E+00 4.2699E+00 H2 3741 1.008000 0.423800 1.6238E+00 -2.4881E+00 5.2591E+00 O6 3742 15.999400 -0.847600 1.3181E+01 -1.7945E+01 6.0780E-01 H1 3743 1.008000 0.423800 1.4146E+01 -1.8043E+01 8.5241E-01 H2 3744 1.008000 0.423800 1.2949E+01 -1.6974E+01 5.4931E-01 O6 3745 15.999400 -0.847600 -1.4371E+01 -1.1902E+01 6.6629E+00 H1 3746 1.008000 0.423800 -1.5086E+01 -1.2588E+01 6.5240E+00 H2 3747 1.008000 0.423800 -1.4702E+01 -1.1009E+01 6.3585E+00 O6 3748 15.999400 -0.847600 3.5114E+00 -1.6326E+01 -1.3905E+01 H1 3749 1.008000 0.423800 3.7187E+00 -1.6390E+01 -1.4881E+01 H2 3750 1.008000 0.423800 4.2581E+00 -1.5854E+01 -1.3436E+01 O6 3751 15.999400 -0.847600 5.0878E-01 1.7603E+01 8.0115E+00 H1 3752 1.008000 0.423800 -3.4058E-01 1.8088E+01 7.8030E+00 H2 3753 1.008000 0.423800 3.0316E-01 1.6648E+01 8.2276E+00 O6 3754 15.999400 -0.847600 1.0152E+01 -1.7440E+00 1.8003E+01 H1 3755 1.008000 0.423800 9.4981E+00 -2.1222E+00 1.8658E+01 H2 3756 1.008000 0.423800 1.0868E+01 -2.4178E+00 1.7820E+01 O6 3757 15.999400 -0.847600 -1.4321E+01 -1.3772E+01 1.8718E+01 H1 3758 1.008000 0.423800 -1.4175E+01 -1.3976E+01 1.7750E+01 H2 3759 1.008000 0.423800 -1.4870E+01 -1.2940E+01 1.8805E+01 O6 3760 15.999400 -0.847600 -1.6248E+01 -1.3689E+01 -6.2891E+00 H1 3761 1.008000 0.423800 -1.5890E+01 -1.4486E+01 -5.8022E+00 H2 3762 1.008000 0.423800 -1.5689E+01 -1.2888E+01 -6.0738E+00 O6 3763 15.999400 -0.847600 -1.0490E+01 -1.6444E+01 -1.1805E+01 H1 3764 1.008000 0.423800 -1.1248E+01 -1.5900E+01 -1.2165E+01 H2 3765 1.008000 0.423800 -1.0848E+01 -1.7278E+01 -1.1385E+01 O6 3766 15.999400 -0.847600 1.4516E+01 -3.2245E+00 -7.2927E+00 H1 3767 1.008000 0.423800 1.3765E+01 -3.5560E+00 -6.7215E+00 H2 3768 1.008000 0.423800 1.5348E+01 -3.1588E+00 -6.7431E+00 O6 3769 15.999400 -0.847600 -2.5652E+00 9.2866E+00 -3.1765E+00 H1 3770 1.008000 0.423800 -1.6220E+00 8.9880E+00 -3.0306E+00 H2 3771 1.008000 0.423800 -2.5964E+00 1.0285E+01 -3.2153E+00 O6 3772 15.999400 -0.847600 -7.2748E+00 -7.8856E+00 -1.1290E+01 H1 3773 1.008000 0.423800 -8.1029E+00 -8.3604E+00 -1.0992E+01 H2 3774 1.008000 0.423800 -7.0851E+00 -8.1143E+00 -1.2245E+01 O6 3775 15.999400 -0.847600 -1.5336E+01 1.1473E+01 -1.1883E+01 H1 3776 1.008000 0.423800 -1.5781E+01 1.2106E+01 -1.2517E+01 H2 3777 1.008000 0.423800 -1.4439E+01 1.1216E+01 -1.2244E+01 O6 3778 15.999400 -0.847600 -2.0032E+00 -8.9017E+00 -1.5892E+01 H1 3779 1.008000 0.423800 -1.7043E+00 -9.4657E+00 -1.5122E+01 H2 3780 1.008000 0.423800 -1.8229E+00 -9.3846E+00 -1.6748E+01 O6 3781 15.999400 -0.847600 -5.8840E+00 -1.4287E+01 -9.4289E+00 H1 3782 1.008000 0.423800 -6.0606E+00 -1.3455E+01 -8.9022E+00 H2 3783 1.008000 0.423800 -6.7371E+00 -1.4796E+01 -9.5444E+00 O6 3784 15.999400 -0.847600 -6.6478E+00 -3.5275E+00 -8.8828E+00 H1 3785 1.008000 0.423800 -6.9237E+00 -4.4336E+00 -9.2035E+00 H2 3786 1.008000 0.423800 -7.0972E+00 -3.3313E+00 -8.0112E+00 O6 3787 15.999400 -0.847600 1.6402E+01 1.0764E+01 9.2499E-01 H1 3788 1.008000 0.423800 1.6956E+01 1.1309E+01 1.5548E+00 H2 3789 1.008000 0.423800 1.5801E+01 1.1367E+01 4.0119E-01 O6 3790 15.999400 -0.847600 -5.9527E+00 1.3473E+01 1.7894E+01 H1 3791 1.008000 0.423800 -6.7102E+00 1.2882E+01 1.8172E+01 H2 3792 1.008000 0.423800 -6.0129E+00 1.3652E+01 1.6912E+01 O6 3793 15.999400 -0.847600 -7.8246E+00 -1.2587E+01 1.6828E+01 H1 3794 1.008000 0.423800 -7.5176E+00 -1.3337E+01 1.7413E+01 H2 3795 1.008000 0.423800 -7.3959E+00 -1.2670E+01 1.5928E+01 O6 3796 15.999400 -0.847600 2.8012E+00 1.4283E+00 1.8278E+01 H1 3797 1.008000 0.423800 1.9164E+00 1.6654E+00 1.8680E+01 H2 3798 1.008000 0.423800 3.5302E+00 1.8942E+00 1.8780E+01 O6 3799 15.999400 -0.847600 7.5482E+00 7.3222E+00 1.4630E+01 H1 3800 1.008000 0.423800 7.7851E+00 6.3596E+00 1.4761E+01 H2 3801 1.008000 0.423800 7.1199E+00 7.6766E+00 1.5461E+01 O6 3802 15.999400 -0.847600 7.3562E+00 -8.2586E+00 1.4390E+01 H1 3803 1.008000 0.423800 7.3461E+00 -7.3550E+00 1.4818E+01 H2 3804 1.008000 0.423800 6.4197E+00 -8.5365E+00 1.4176E+01 O6 3805 15.999400 -0.847600 7.0768E-01 1.3663E-01 1.5247E+00 H1 3806 1.008000 0.423800 1.6683E+00 2.5763E-01 1.2744E+00 H2 3807 1.008000 0.423800 5.6162E-01 4.6903E-01 2.4564E+00 O6 3808 15.999400 -0.847600 -1.2184E+01 -1.4993E+01 -1.5541E+01 H1 3809 1.008000 0.423800 -1.2919E+01 -1.4418E+01 -1.5901E+01 H2 3810 1.008000 0.423800 -1.1874E+01 -1.5622E+01 -1.6254E+01 O6 3811 15.999400 -0.847600 -1.8337E+00 1.6530E+01 -5.8778E+00 H1 3812 1.008000 0.423800 -2.6569E+00 1.6705E+01 -5.3377E+00 H2 3813 1.008000 0.423800 -1.4925E+00 1.7391E+01 -6.2537E+00 O6 3814 15.999400 -0.847600 -1.4320E+01 -1.2589E+01 3.7231E+00 H1 3815 1.008000 0.423800 -1.3694E+01 -1.3184E+01 3.2193E+00 H2 3816 1.008000 0.423800 -1.4706E+01 -1.3090E+01 4.4976E+00 O6 3817 15.999400 -0.847600 -8.4116E+00 1.8309E+01 1.0746E+01 H1 3818 1.008000 0.423800 -8.9520E+00 1.9135E+01 1.0907E+01 H2 3819 1.008000 0.423800 -7.5274E+00 1.8560E+01 1.0352E+01 O6 3820 15.999400 -0.847600 -1.5581E+01 5.4059E+00 8.6201E+00 H1 3821 1.008000 0.423800 -1.5899E+01 4.6845E+00 9.2353E+00 H2 3822 1.008000 0.423800 -1.6080E+01 6.2512E+00 8.8117E+00 O6 3823 15.999400 -0.847600 1.6956E+01 -8.1976E+00 9.6658E+00 H1 3824 1.008000 0.423800 1.6816E+01 -7.2458E+00 9.3931E+00 H2 3825 1.008000 0.423800 1.7737E+01 -8.2543E+00 1.0288E+01 O6 3826 15.999400 -0.847600 6.5316E-01 9.2091E+00 8.7411E+00 H1 3827 1.008000 0.423800 -2.9462E-05 8.6892E+00 8.1906E+00 H2 3828 1.008000 0.423800 1.3489E+00 8.5901E+00 9.1056E+00 O6 3829 15.999400 -0.847600 -8.7574E+00 8.5248E+00 4.2065E+00 H1 3830 1.008000 0.423800 -8.0258E+00 8.1551E+00 4.7794E+00 H2 3831 1.008000 0.423800 -8.5696E+00 8.3121E+00 3.2476E+00 O6 3832 15.999400 -0.847600 -1.2655E+01 5.8185E+00 1.7350E+01 H1 3833 1.008000 0.423800 -1.2254E+01 5.8426E+00 1.8266E+01 H2 3834 1.008000 0.423800 -1.3001E+01 6.7265E+00 1.7114E+01 O6 3835 15.999400 -0.847600 2.0800E+00 -6.8568E+00 -1.1517E+01 H1 3836 1.008000 0.423800 1.1422E+00 -6.8550E+00 -1.1169E+01 H2 3837 1.008000 0.423800 2.1113E+00 -6.3791E+00 -1.2394E+01 O6 3838 15.999400 -0.847600 1.5606E+01 8.3008E+00 -1.6267E+01 H1 3839 1.008000 0.423800 1.5846E+01 7.7798E+00 -1.7086E+01 H2 3840 1.008000 0.423800 1.6192E+01 8.0181E+00 -1.5508E+01 O6 3841 15.999400 -0.847600 -1.4353E+01 5.1987E+00 1.3819E+01 H1 3842 1.008000 0.423800 -1.3657E+01 4.5873E+00 1.4195E+01 H2 3843 1.008000 0.423800 -1.4195E+01 5.3198E+00 1.2839E+01 O6 3844 15.999400 -0.847600 9.5200E+00 1.9247E+01 -8.3279E+00 H1 3845 1.008000 0.423800 9.2368E+00 1.8294E+01 -8.4365E+00 H2 3846 1.008000 0.423800 1.0088E+01 1.9334E+01 -7.5094E+00 O6 3847 15.999400 -0.847600 -1.9200E+01 -8.9709E+00 2.8458E+00 H1 3848 1.008000 0.423800 -1.8534E+01 -9.6209E+00 3.2123E+00 H2 3849 1.008000 0.423800 -1.8840E+01 -8.0417E+00 2.9314E+00 O6 3850 15.999400 -0.847600 4.0100E+00 1.9084E+01 -1.2822E+01 H1 3851 1.008000 0.423800 4.4490E+00 -1.9122E+01 -1.2714E+01 H2 3852 1.008000 0.423800 4.2158E+00 1.8719E+01 -1.3730E+01 O6 3853 15.999400 -0.847600 -1.2282E+01 -1.5861E+01 1.0591E+01 H1 3854 1.008000 0.423800 -1.2511E+01 -1.6093E+01 1.1537E+01 H2 3855 1.008000 0.423800 -1.3107E+01 -1.5908E+01 1.0028E+01 O6 3856 15.999400 -0.847600 -1.3265E+01 4.1517E+00 8.1454E+00 H1 3857 1.008000 0.423800 -1.4090E+01 4.7149E+00 8.1868E+00 H2 3858 1.008000 0.423800 -1.2509E+01 4.6353E+00 8.5868E+00 O6 3859 15.999400 -0.847600 6.7538E+00 2.2476E+00 1.4546E+01 H1 3860 1.008000 0.423800 6.7737E+00 3.2420E+00 1.4441E+01 H2 3861 1.008000 0.423800 7.0570E+00 2.0032E+00 1.5467E+01 O6 3862 15.999400 -0.847600 1.1613E+01 -1.6636E+01 1.7788E+01 H1 3863 1.008000 0.423800 1.1959E+01 -1.7460E+01 1.7339E+01 H2 3864 1.008000 0.423800 1.1998E+01 -1.6573E+01 1.8709E+01 O6 3865 15.999400 -0.847600 -8.4787E+00 -1.0785E+01 -1.4347E+01 H1 3866 1.008000 0.423800 -8.1307E+00 -1.0042E+01 -1.3776E+01 H2 3867 1.008000 0.423800 -9.1670E+00 -1.1302E+01 -1.3839E+01 O6 3868 15.999400 -0.847600 8.2953E+00 -6.2814E+00 -8.5105E+00 H1 3869 1.008000 0.423800 8.0073E+00 -6.8974E+00 -7.7773E+00 H2 3870 1.008000 0.423800 7.6129E+00 -5.5597E+00 -8.6268E+00 O6 3871 15.999400 -0.847600 1.1538E+01 1.9300E+01 -8.0941E-01 H1 3872 1.008000 0.423800 1.2065E+01 -1.9039E+01 -4.2544E-01 H2 3873 1.008000 0.423800 1.0991E+01 1.8875E+01 -8.7950E-02 O6 3874 15.999400 -0.847600 -1.6870E+01 -5.2715E+00 -7.1710E+00 H1 3875 1.008000 0.423800 -1.5871E+01 -5.2661E+00 -7.1312E+00 H2 3876 1.008000 0.423800 -1.7181E+01 -4.5841E+00 -7.8273E+00 O6 3877 15.999400 -0.847600 7.1351E+00 4.7843E+00 9.8416E+00 H1 3878 1.008000 0.423800 6.4164E+00 4.9889E+00 9.1770E+00 H2 3879 1.008000 0.423800 7.1476E+00 5.4926E+00 1.0547E+01 O6 3880 15.999400 -0.847600 -1.6666E+01 7.7549E+00 -8.5899E+00 H1 3881 1.008000 0.423800 -1.5712E+01 7.5334E+00 -8.3894E+00 H2 3882 1.008000 0.423800 -1.6711E+01 8.3133E+00 -9.4181E+00 O6 3883 15.999400 -0.847600 -8.1758E-01 1.5691E+00 4.2514E+00 H1 3884 1.008000 0.423800 -1.4571E+00 1.6563E+00 3.4875E+00 H2 3885 1.008000 0.423800 -8.0568E-01 2.4210E+00 4.7749E+00 O6 3886 15.999400 -0.847600 -3.7017E+00 -1.7948E+01 -1.2002E+01 H1 3887 1.008000 0.423800 -2.7116E+00 -1.8088E+01 -1.2013E+01 H2 3888 1.008000 0.423800 -3.9415E+00 -1.7319E+01 -1.1262E+01 O6 3889 15.999400 -0.847600 -9.6238E+00 8.2543E+00 -8.7975E+00 H1 3890 1.008000 0.423800 -1.0305E+01 7.5918E+00 -9.1093E+00 H2 3891 1.008000 0.423800 -8.7131E+00 7.8441E+00 -8.8465E+00 O6 3892 15.999400 -0.847600 2.7974E+00 -1.1363E+01 6.2719E+00 H1 3893 1.008000 0.423800 1.8096E+00 -1.1381E+01 6.4267E+00 H2 3894 1.008000 0.423800 3.1525E+00 -1.0454E+01 6.4935E+00 O6 3895 15.999400 -0.847600 1.2870E+01 2.6233E+00 -1.0888E+01 H1 3896 1.008000 0.423800 1.3679E+01 3.0636E+00 -1.0497E+01 H2 3897 1.008000 0.423800 1.2311E+01 3.3081E+00 -1.1355E+01 O6 3898 15.999400 -0.847600 1.2970E+01 6.7924E+00 -1.2364E+01 H1 3899 1.008000 0.423800 1.3723E+01 6.1937E+00 -1.2636E+01 H2 3900 1.008000 0.423800 1.2279E+01 6.2586E+00 -1.1876E+01 O6 3901 15.999400 -0.847600 5.3009E+00 -4.3538E+00 -1.2340E+00 H1 3902 1.008000 0.423800 4.5740E+00 -4.2705E+00 -1.9157E+00 H2 3903 1.008000 0.423800 6.1786E+00 -4.4796E+00 -1.6964E+00 O6 3904 15.999400 -0.847600 -1.5292E+01 1.5139E+01 1.8141E+01 H1 3905 1.008000 0.423800 -1.6133E+01 1.5579E+01 1.8455E+01 H2 3906 1.008000 0.423800 -1.5263E+01 1.5151E+01 1.7141E+01 O6 3907 15.999400 -0.847600 -1.8995E+01 1.3316E+01 6.4778E+00 H1 3908 1.008000 0.423800 1.9500E+01 1.2619E+01 6.0887E+00 H2 3909 1.008000 0.423800 -1.9209E+01 1.4205E+01 6.0725E+00 O6 3910 15.999400 -0.847600 6.5799E+00 -1.3657E+01 -8.4425E+00 H1 3911 1.008000 0.423800 6.0122E+00 -1.3316E+01 -9.1919E+00 H2 3912 1.008000 0.423800 7.0635E+00 -1.4481E+01 -8.7385E+00 O6 3913 15.999400 -0.847600 1.4581E+00 -1.4457E+01 -2.2857E+00 H1 3914 1.008000 0.423800 1.7971E+00 -1.5309E+01 -1.8867E+00 H2 3915 1.008000 0.423800 1.8022E+00 -1.4367E+01 -3.2203E+00 O6 3916 15.999400 -0.847600 1.2925E+00 6.4817E+00 1.2875E+01 H1 3917 1.008000 0.423800 4.2003E-01 6.1047E+00 1.2563E+01 H2 3918 1.008000 0.423800 1.3443E+00 7.4494E+00 1.2628E+01 O6 3919 15.999400 -0.847600 -1.0280E+01 -5.2515E+00 -8.9552E+00 H1 3920 1.008000 0.423800 -1.1172E+01 -5.6920E+00 -8.8565E+00 H2 3921 1.008000 0.423800 -1.0405E+01 -4.2649E+00 -9.0597E+00 O6 3922 15.999400 -0.847600 1.6905E+01 -6.1275E+00 -1.0808E+01 H1 3923 1.008000 0.423800 1.6631E+01 -7.0378E+00 -1.0498E+01 H2 3924 1.008000 0.423800 1.6231E+01 -5.4546E+00 -1.0503E+01 O6 3925 15.999400 -0.847600 -3.3862E+00 -2.0426E+00 7.3792E+00 H1 3926 1.008000 0.423800 -3.6468E+00 -1.0820E+00 7.4762E+00 H2 3927 1.008000 0.423800 -3.5185E+00 -2.3296E+00 6.4305E+00 O6 3928 15.999400 -0.847600 1.7038E+01 -2.5964E+00 -6.2503E+00 H1 3929 1.008000 0.423800 1.7063E+01 -1.7536E+00 -6.7880E+00 H2 3930 1.008000 0.423800 1.7619E+01 -2.4938E+00 -5.4431E+00 O6 3931 15.999400 -0.847600 6.8942E+00 3.6136E+00 -2.8673E+00 H1 3932 1.008000 0.423800 6.7272E+00 2.8593E+00 -2.2323E+00 H2 3933 1.008000 0.423800 7.8617E+00 3.6289E+00 -3.1196E+00 O6 3934 15.999400 -0.847600 -1.3335E+01 1.0905E+00 -9.9877E+00 H1 3935 1.008000 0.423800 -1.2443E+01 9.1046E-01 -9.5722E+00 H2 3936 1.008000 0.423800 -1.3508E+01 4.2026E-01 -1.0709E+01 O6 3937 15.999400 -0.847600 -9.9197E+00 -6.8581E+00 1.4751E+01 H1 3938 1.008000 0.423800 -9.0729E+00 -6.3370E+00 1.4644E+01 H2 3939 1.008000 0.423800 -1.0697E+01 -6.2903E+00 1.4480E+01 O6 3940 15.999400 -0.847600 -1.6900E+01 -1.4654E+01 -1.6553E+01 H1 3941 1.008000 0.423800 -1.6903E+01 -1.5057E+01 -1.5638E+01 H2 3942 1.008000 0.423800 -1.6255E+01 -1.3890E+01 -1.6579E+01 O6 3943 15.999400 -0.847600 -1.5386E+01 -1.3305E+01 1.1480E+01 H1 3944 1.008000 0.423800 -1.6026E+01 -1.2617E+01 1.1821E+01 H2 3945 1.008000 0.423800 -1.5795E+01 -1.3785E+01 1.0703E+01 O6 3946 15.999400 -0.847600 1.8121E+01 5.4079E+00 -1.3355E+00 H1 3947 1.008000 0.423800 1.8757E+01 5.6523E+00 -2.0672E+00 H2 3948 1.008000 0.423800 1.8617E+01 5.3476E+00 -4.6913E-01 O6 3949 15.999400 -0.847600 1.1992E+01 1.8259E+01 9.5724E+00 H1 3950 1.008000 0.423800 1.2134E+01 1.9203E+01 9.8709E+00 H2 3951 1.008000 0.423800 1.2875E+01 1.7840E+01 9.3617E+00 O6 3952 15.999400 -0.847600 1.9092E+01 -2.5162E+00 1.2000E+00 H1 3953 1.008000 0.423800 -1.9152E+01 -2.9649E+00 1.4641E+00 H2 3954 1.008000 0.423800 1.8683E+01 -2.0803E+00 2.0016E+00 O6 3955 15.999400 -0.847600 -1.4323E+01 -8.1625E+00 -2.6674E-01 H1 3956 1.008000 0.423800 -1.3511E+01 -8.6610E+00 -5.7265E-01 H2 3957 1.008000 0.423800 -1.4979E+01 -8.0999E+00 -1.0188E+00 O6 3958 15.999400 -0.847600 -1.2894E+01 1.2357E+01 1.2420E+01 H1 3959 1.008000 0.423800 -1.2516E+01 1.2822E+01 1.3221E+01 H2 3960 1.008000 0.423800 -1.3324E+01 1.3028E+01 1.1817E+01 O6 3961 15.999400 -0.847600 1.3099E+01 1.7513E+01 -1.7843E+01 H1 3962 1.008000 0.423800 1.2927E+01 1.7999E+01 -1.6986E+01 H2 3963 1.008000 0.423800 1.3624E+01 1.6683E+01 -1.7656E+01 O6 3964 15.999400 -0.847600 -8.5004E-01 1.4036E+00 -8.5585E+00 H1 3965 1.008000 0.423800 -2.6116E-01 5.9551E-01 -8.5714E+00 H2 3966 1.008000 0.423800 -1.6230E+00 1.2627E+00 -9.1771E+00 O6 3967 15.999400 -0.847600 1.7638E+01 1.8220E+01 7.8792E+00 H1 3968 1.008000 0.423800 1.6702E+01 1.8571E+01 7.8902E+00 H2 3969 1.008000 0.423800 1.7937E+01 1.8100E+01 6.9327E+00 O6 3970 15.999400 -0.847600 -1.4570E+00 -6.9187E+00 -1.4219E+01 H1 3971 1.008000 0.423800 -1.7652E+00 -7.5860E+00 -1.4897E+01 H2 3972 1.008000 0.423800 -1.3718E+00 -7.3642E+00 -1.3328E+01 O6 3973 15.999400 -0.847600 6.2775E+00 -1.0841E+01 -1.6073E+01 H1 3974 1.008000 0.423800 6.1779E+00 -9.9832E+00 -1.5569E+01 H2 3975 1.008000 0.423800 5.5679E+00 -1.0900E+01 -1.6775E+01 O6 3976 15.999400 -0.847600 -4.9696E+00 8.4463E+00 -8.9329E+00 H1 3977 1.008000 0.423800 -4.0455E+00 8.0970E+00 -8.7777E+00 H2 3978 1.008000 0.423800 -5.1661E+00 8.4448E+00 -9.9134E+00 O6 3979 15.999400 -0.847600 4.9601E+00 -1.2452E+01 -6.8600E+00 H1 3980 1.008000 0.423800 5.5595E+00 -1.2750E+01 -7.6026E+00 H2 3981 1.008000 0.423800 5.5139E+00 -1.2094E+01 -6.1079E+00 O6 3982 15.999400 -0.847600 1.6008E+00 -2.2835E+00 -2.1515E+00 H1 3983 1.008000 0.423800 1.9166E+00 -1.4468E+00 -1.7040E+00 H2 3984 1.008000 0.423800 2.0115E+00 -2.3503E+00 -3.0609E+00 O6 3985 15.999400 -0.847600 1.7006E+01 -1.3132E+01 -1.1469E+01 H1 3986 1.008000 0.423800 1.7762E+01 -1.2913E+01 -1.2086E+01 H2 3987 1.008000 0.423800 1.7036E+01 -1.4105E+01 -1.1237E+01 O6 3988 15.999400 -0.847600 -5.9375E+00 6.2424E+00 9.2645E+00 H1 3989 1.008000 0.423800 -6.6622E+00 6.5656E+00 9.8731E+00 H2 3990 1.008000 0.423800 -5.9292E+00 5.2424E+00 9.2579E+00 O6 3991 15.999400 -0.847600 -6.4917E+00 -1.9479E+01 -1.2211E+01 H1 3992 1.008000 0.423800 -7.0470E+00 -1.9091E+01 -1.1476E+01 H2 3993 1.008000 0.423800 -5.6608E+00 1.9218E+01 -1.1825E+01 O6 3994 15.999400 -0.847600 1.0945E+01 -2.8314E+00 -9.0659E+00 H1 3995 1.008000 0.423800 1.1638E+01 -2.4853E+00 -9.6987E+00 H2 3996 1.008000 0.423800 1.0171E+01 -3.1942E+00 -9.5849E+00 O6 3997 15.999400 -0.847600 6.1999E+00 -1.1790E+00 -1.8800E-01 H1 3998 1.008000 0.423800 6.2820E+00 -1.6105E+00 -1.0864E+00 H2 3999 1.008000 0.423800 5.4593E+00 -1.6139E+00 3.2417E-01 O6 4000 15.999400 -0.847600 1.7011E+01 1.2175E+01 1.5852E+01 H1 4001 1.008000 0.423800 1.7592E+01 1.2737E+01 1.6441E+01 H2 4002 1.008000 0.423800 1.6176E+01 1.2678E+01 1.5630E+01 O6 4003 15.999400 -0.847600 1.4794E+01 -7.7951E+00 1.1723E+01 H1 4004 1.008000 0.423800 1.5617E+01 -7.7645E+00 1.1156E+01 H2 4005 1.008000 0.423800 1.4224E+01 -8.5662E+00 1.1440E+01 O6 4006 15.999400 -0.847600 -1.8625E+01 -1.7177E+01 2.7242E+00 H1 4007 1.008000 0.423800 -1.9477E+01 -1.7259E+01 3.2411E+00 H2 4008 1.008000 0.423800 -1.8072E+01 -1.7999E+01 2.8603E+00 O6 4009 15.999400 -0.847600 -3.4585E+00 -8.1553E+00 1.3560E+01 H1 4010 1.008000 0.423800 -4.1801E+00 -8.1556E+00 1.4252E+01 H2 4011 1.008000 0.423800 -2.9447E+00 -7.2992E+00 1.3614E+01 O6 4012 15.999400 -0.847600 1.7508E+01 -6.5338E+00 -1.6736E+01 H1 4013 1.008000 0.423800 1.8489E+01 -6.3824E+00 -1.6856E+01 H2 4014 1.008000 0.423800 1.7330E+01 -7.5138E+00 -1.6646E+01 O6 4015 15.999400 -0.847600 -5.7885E+00 1.9311E+01 1.4311E+01 H1 4016 1.008000 0.423800 -6.3076E+00 1.8672E+01 1.4879E+01 H2 4017 1.008000 0.423800 -6.2324E+00 -1.8891E+01 1.4327E+01 O6 4018 15.999400 -0.847600 -1.9027E+01 8.2768E+00 -4.3617E+00 H1 4019 1.008000 0.423800 -1.9411E+01 8.8576E+00 -5.0795E+00 H2 4020 1.008000 0.423800 -1.8175E+01 8.6796E+00 -4.0274E+00 O6 4021 15.999400 -0.847600 -1.5955E+01 1.9018E+01 -9.3274E+00 H1 4022 1.008000 0.423800 -1.6078E+01 1.8216E+01 -9.9117E+00 H2 4023 1.008000 0.423800 -1.6433E+01 -1.9298E+01 -9.7290E+00 O6 4024 15.999400 -0.847600 1.1323E+01 -1.8561E+01 2.5996E+00 H1 4025 1.008000 0.423800 1.0521E+01 -1.8804E+01 2.0541E+00 H2 4026 1.008000 0.423800 1.2063E+01 -1.8270E+01 1.9930E+00 O6 4027 15.999400 -0.847600 1.4942E+01 -1.0890E+01 1.7380E+01 H1 4028 1.008000 0.423800 1.4028E+01 -1.0947E+01 1.6977E+01 H2 4029 1.008000 0.423800 1.5132E+01 -9.9440E+00 1.7643E+01 O6 4030 15.999400 -0.847600 1.0578E+01 -2.4111E+00 -1.3896E+01 H1 4031 1.008000 0.423800 1.0218E+01 -1.9210E+00 -1.3102E+01 H2 4032 1.008000 0.423800 1.1445E+01 -1.9992E+00 -1.4177E+01 O6 4033 15.999400 -0.847600 -1.2255E+01 -9.9371E+00 -1.2132E+01 H1 4034 1.008000 0.423800 -1.3004E+01 -1.0061E+01 -1.2783E+01 H2 4035 1.008000 0.423800 -1.2222E+01 -1.0718E+01 -1.1508E+01 O6 4036 15.999400 -0.847600 1.4146E+01 3.6824E+00 1.0991E+01 H1 4037 1.008000 0.423800 1.4441E+01 2.8827E+00 1.1514E+01 H2 4038 1.008000 0.423800 1.3541E+01 3.3914E+00 1.0250E+01 O6 4039 15.999400 -0.847600 -1.0810E+01 1.8236E+01 2.7616E+00 H1 4040 1.008000 0.423800 -1.0808E+01 1.9206E+01 2.5213E+00 H2 4041 1.008000 0.423800 -1.0788E+01 1.7686E+01 1.9268E+00 O6 4042 15.999400 -0.847600 -7.8090E+00 -4.8480E+00 -1.2596E+00 H1 4043 1.008000 0.423800 -8.0159E+00 -5.8260E+00 -1.2870E+00 H2 4044 1.008000 0.423800 -7.0377E+00 -4.6534E+00 -1.8655E+00 O6 4045 15.999400 -0.847600 1.5668E+01 1.6632E+01 -1.1872E+01 H1 4046 1.008000 0.423800 1.6366E+01 1.6135E+01 -1.1356E+01 H2 4047 1.008000 0.423800 1.4939E+01 1.6001E+01 -1.2140E+01 O6 4048 15.999400 -0.847600 -1.9268E+01 1.5631E+01 5.0853E+00 H1 4049 1.008000 0.423800 -1.8334E+01 1.5853E+01 4.8043E+00 H2 4050 1.008000 0.423800 1.9309E+01 1.6476E+01 5.2067E+00 O6 4051 15.999400 -0.847600 -9.3919E+00 -5.6312E+00 1.7494E+01 H1 4052 1.008000 0.423800 -9.0288E+00 -4.8117E+00 1.7050E+01 H2 4053 1.008000 0.423800 -9.7648E+00 -6.2477E+00 1.6800E+01 O6 4054 15.999400 -0.847600 1.3223E+01 -1.6578E+01 8.4783E+00 H1 4055 1.008000 0.423800 1.2909E+01 -1.5857E+01 7.8606E+00 H2 4056 1.008000 0.423800 1.4214E+01 -1.6511E+01 8.5928E+00 O6 4057 15.999400 -0.847600 -9.7653E-02 3.1115E+00 -1.6488E+01 H1 4058 1.008000 0.423800 3.2379E-01 2.2132E+00 -1.6612E+01 H2 4059 1.008000 0.423800 5.9890E-01 3.7697E+00 -1.6202E+01 O6 4060 15.999400 -0.847600 -1.8971E+01 -1.6835E+01 1.2868E+01 H1 4061 1.008000 0.423800 -1.9290E+01 -1.6781E+01 1.1921E+01 H2 4062 1.008000 0.423800 -1.8951E+01 -1.7792E+01 1.3158E+01 O6 4063 15.999400 -0.847600 -9.1953E+00 1.4238E+01 3.3755E+00 H1 4064 1.008000 0.423800 -9.0289E+00 1.4204E+01 4.3610E+00 H2 4065 1.008000 0.423800 -8.6570E+00 1.3527E+01 2.9219E+00 O6 4066 15.999400 -0.847600 -1.9256E+01 1.1519E+01 4.0364E+00 H1 4067 1.008000 0.423800 -1.8569E+01 1.2202E+01 3.7890E+00 H2 4068 1.008000 0.423800 -1.8868E+01 1.0603E+01 3.9334E+00 O6 4069 15.999400 -0.847600 -4.3628E+00 1.8046E+01 -1.3374E+01 H1 4070 1.008000 0.423800 -4.5475E+00 1.9028E+01 -1.3366E+01 H2 4071 1.008000 0.423800 -4.5420E+00 1.7680E+01 -1.4287E+01 O6 4072 15.999400 -0.847600 -1.7361E+00 -1.0543E+01 -8.2619E+00 H1 4073 1.008000 0.423800 -1.5221E+00 -1.1517E+01 -8.3419E+00 H2 4074 1.008000 0.423800 -2.1505E+00 -1.0222E+01 -9.1134E+00 O6 4075 15.999400 -0.847600 -7.3598E+00 1.8962E+00 -1.5016E+01 H1 4076 1.008000 0.423800 -6.7921E+00 1.1615E+00 -1.4645E+01 H2 4077 1.008000 0.423800 -7.1285E+00 2.0423E+00 -1.5978E+01 O6 4078 15.999400 -0.847600 1.6777E+00 -9.1676E+00 1.1726E+01 H1 4079 1.008000 0.423800 7.7624E-01 -8.7582E+00 1.1866E+01 H2 4080 1.008000 0.423800 1.6661E+00 -9.7216E+00 1.0893E+01 O6 4081 15.999400 -0.847600 5.0949E-01 1.9444E+01 -1.7889E+01 H1 4082 1.008000 0.423800 5.5683E-01 1.9457E+01 -1.8888E+01 H2 4083 1.008000 0.423800 4.2111E-01 -1.8717E+01 -1.7547E+01 O6 4084 15.999400 -0.847600 1.1939E+01 1.0663E+01 7.8994E+00 H1 4085 1.008000 0.423800 1.2258E+01 1.0002E+01 7.2206E+00 H2 4086 1.008000 0.423800 1.1041E+01 1.0383E+01 8.2407E+00 O6 4087 15.999400 -0.847600 -7.9104E+00 1.3382E+01 9.2118E+00 H1 4088 1.008000 0.423800 -7.7815E+00 1.2395E+01 9.1132E+00 H2 4089 1.008000 0.423800 -8.6386E+00 1.3559E+01 9.8740E+00 O6 4090 15.999400 -0.847600 -1.9416E+01 7.8767E+00 -8.0572E+00 H1 4091 1.008000 0.423800 1.9248E+01 7.8443E+00 -8.9575E+00 H2 4092 1.008000 0.423800 -1.8422E+01 7.8787E+00 -8.1662E+00 O6 4093 15.999400 -0.847600 -9.0998E+00 -6.4711E+00 1.1290E+01 H1 4094 1.008000 0.423800 -9.4843E+00 -7.3739E+00 1.1483E+01 H2 4095 1.008000 0.423800 -8.5043E+00 -6.5265E+00 1.0489E+01 O6 4096 15.999400 -0.847600 -5.3690E+00 1.1550E+00 1.2934E+01 H1 4097 1.008000 0.423800 -5.4288E+00 1.2928E+00 1.1946E+01 H2 4098 1.008000 0.423800 -4.8204E+00 3.4088E-01 1.3125E+01 O6 4099 15.999400 -0.847600 -1.6695E+01 7.5934E+00 4.7791E+00 H1 4100 1.008000 0.423800 -1.7373E+01 8.1911E+00 4.3519E+00 H2 4101 1.008000 0.423800 -1.7105E+01 6.6999E+00 4.9610E+00 O6 4102 15.999400 -0.847600 5.8847E-01 -9.7704E+00 1.7954E+01 H1 4103 1.008000 0.423800 -2.3223E-01 -9.2003E+00 1.7993E+01 H2 4104 1.008000 0.423800 1.3669E+00 -9.2147E+00 1.7663E+01 O6 4105 15.999400 -0.847600 1.3264E+01 3.6561E+00 -1.7655E+00 H1 4106 1.008000 0.423800 1.4247E+01 3.7002E+00 -1.5888E+00 H2 4107 1.008000 0.423800 1.3032E+01 4.2789E+00 -2.5125E+00 O6 4108 15.999400 -0.847600 1.7938E+01 -2.1719E+00 1.2734E+01 H1 4109 1.008000 0.423800 1.7244E+01 -1.7711E+00 1.3333E+01 H2 4110 1.008000 0.423800 1.7490E+01 -2.6910E+00 1.2006E+01 O6 4111 15.999400 -0.847600 3.8587E+00 -7.6830E+00 1.1100E+01 H1 4112 1.008000 0.423800 3.0650E+00 -8.2884E+00 1.1160E+01 H2 4113 1.008000 0.423800 3.5631E+00 -6.7744E+00 1.0805E+01 O6 4114 15.999400 -0.847600 -3.6456E+00 -1.2032E+01 -1.4927E+01 H1 4115 1.008000 0.423800 -4.5659E+00 -1.1767E+01 -1.5215E+01 H2 4116 1.008000 0.423800 -3.5192E+00 -1.1803E+01 -1.3962E+01 O6 4117 15.999400 -0.847600 -1.2589E+01 9.5573E+00 1.2103E+01 H1 4118 1.008000 0.423800 -1.2678E+01 1.0552E+01 1.2151E+01 H2 4119 1.008000 0.423800 -1.1716E+01 9.3214E+00 1.1676E+01 O6 4120 15.999400 -0.847600 7.8158E+00 1.3523E+01 -6.2336E+00 H1 4121 1.008000 0.423800 6.8723E+00 1.3710E+01 -6.5070E+00 H2 4122 1.008000 0.423800 7.8647E+00 1.3443E+01 -5.2380E+00 O6 4123 15.999400 -0.847600 6.6183E+00 8.0746E+00 1.7055E+01 H1 4124 1.008000 0.423800 6.7811E+00 8.9658E+00 1.7479E+01 H2 4125 1.008000 0.423800 7.0519E+00 7.3604E+00 1.7605E+01 O6 4126 15.999400 -0.847600 1.8369E+01 1.4734E+01 3.0061E+00 H1 4127 1.008000 0.423800 1.8938E+01 1.4905E+01 3.8102E+00 H2 4128 1.008000 0.423800 1.8671E+01 1.5319E+01 2.2533E+00 O6 4129 15.999400 -0.847600 2.9404E+00 -1.6407E+01 1.3844E+01 H1 4130 1.008000 0.423800 3.0987E+00 -1.5693E+01 1.3163E+01 H2 4131 1.008000 0.423800 2.8239E+00 -1.5988E+01 1.4745E+01 O6 4132 15.999400 -0.847600 1.6472E+01 1.1637E+01 1.2792E+01 H1 4133 1.008000 0.423800 1.7253E+01 1.1669E+01 1.3416E+01 H2 4134 1.008000 0.423800 1.5796E+01 1.0986E+01 1.3137E+01 O6 4135 15.999400 -0.847600 8.5686E+00 -1.0760E+01 -8.8343E+00 H1 4136 1.008000 0.423800 8.6134E+00 -9.8163E+00 -8.5072E+00 H2 4137 1.008000 0.423800 8.7615E+00 -1.1385E+01 -8.0776E+00 O6 4138 15.999400 -0.847600 1.2631E+01 -1.4363E+01 7.0642E+00 H1 4139 1.008000 0.423800 1.2530E+01 -1.4662E+01 6.1152E+00 H2 4140 1.008000 0.423800 1.3044E+01 -1.3452E+01 7.0845E+00 O6 4141 15.999400 -0.847600 9.0987E-01 1.6750E+01 -1.7861E+01 H1 4142 1.008000 0.423800 7.1317E-01 1.6469E+01 -1.8801E+01 H2 4143 1.008000 0.423800 7.1194E-01 1.7724E+01 -1.7756E+01 O6 4144 15.999400 -0.847600 -1.3256E+01 -1.0697E+01 -1.6985E+01 H1 4145 1.008000 0.423800 -1.3145E+01 -1.0936E+01 -1.7950E+01 H2 4146 1.008000 0.423800 -1.2627E+01 -9.9560E+00 -1.6751E+01 O6 4147 15.999400 -0.847600 1.3320E+00 1.7749E+01 1.4852E+01 H1 4148 1.008000 0.423800 1.9801E+00 1.7982E+01 1.5577E+01 H2 4149 1.008000 0.423800 1.7690E+00 1.7874E+01 1.3961E+01 O6 4150 15.999400 -0.847600 1.3394E+01 -8.3176E+00 5.5600E+00 H1 4151 1.008000 0.423800 1.4286E+01 -8.7465E+00 5.7060E+00 H2 4152 1.008000 0.423800 1.2828E+01 -8.9125E+00 4.9902E+00 O6 4153 15.999400 -0.847600 4.0512E+00 -7.4367E+00 9.9471E-01 H1 4154 1.008000 0.423800 3.2489E+00 -6.8398E+00 1.0052E+00 H2 4155 1.008000 0.423800 4.7475E+00 -7.0699E+00 1.6117E+00 O6 4156 15.999400 -0.847600 1.5236E+01 -2.2924E+00 1.4113E+01 H1 4157 1.008000 0.423800 1.4841E+01 -2.9359E+00 1.3457E+01 H2 4158 1.008000 0.423800 1.4657E+01 -1.4786E+00 1.4170E+01 O6 4159 15.999400 -0.847600 5.6402E+00 1.3490E+01 1.7755E+01 H1 4160 1.008000 0.423800 5.8373E+00 1.2884E+01 1.8526E+01 H2 4161 1.008000 0.423800 5.2044E+00 1.2967E+01 1.7023E+01 O6 4162 15.999400 -0.847600 -1.6229E+01 -4.2776E+00 -1.2057E+01 H1 4163 1.008000 0.423800 -1.6175E+01 -3.4857E+00 -1.2665E+01 H2 4164 1.008000 0.423800 -1.6948E+01 -4.8949E+00 -1.2376E+01 O6 4165 15.999400 -0.847600 8.2689E-01 1.0773E+00 -1.1746E+01 H1 4166 1.008000 0.423800 7.5732E-01 9.5761E-01 -1.2737E+01 H2 4167 1.008000 0.423800 6.7244E-02 1.6426E+00 -1.1425E+01 O6 4168 15.999400 -0.847600 8.1516E+00 -2.5507E+00 1.4053E+01 H1 4169 1.008000 0.423800 7.4252E+00 -3.1509E+00 1.4387E+01 H2 4170 1.008000 0.423800 8.2324E+00 -1.7570E+00 1.4655E+01 O6 4171 15.999400 -0.847600 1.2821E+01 -1.3284E+01 -1.0355E+01 H1 4172 1.008000 0.423800 1.3487E+01 -1.2909E+01 -1.0999E+01 H2 4173 1.008000 0.423800 1.3248E+01 -1.4013E+01 -9.8194E+00 O6 4174 15.999400 -0.847600 1.3492E+00 1.0908E+01 1.8635E+01 H1 4175 1.008000 0.423800 1.1051E+00 1.0750E+01 1.7678E+01 H2 4176 1.008000 0.423800 1.7056E+00 1.1836E+01 1.8739E+01 O6 4177 15.999400 -0.847600 -8.9693E+00 -1.5955E+01 -7.0655E+00 H1 4178 1.008000 0.423800 -8.2127E+00 -1.5343E+01 -6.8334E+00 H2 4179 1.008000 0.423800 -9.4780E+00 -1.5577E+01 -7.8390E+00 O6 4180 15.999400 -0.847600 1.2954E+00 -1.5359E+01 9.9204E+00 H1 4181 1.008000 0.423800 1.6479E+00 -1.5121E+01 9.0156E+00 H2 4182 1.008000 0.423800 1.4205E+00 -1.6339E+01 1.0079E+01 O6 4183 15.999400 -0.847600 -1.4918E+01 -7.3895E+00 1.9467E+01 H1 4184 1.008000 0.423800 -1.4266E+01 -7.6251E+00 1.8745E+01 H2 4185 1.008000 0.423800 -1.4863E+01 -8.0678E+00 -1.8898E+01 O6 4186 15.999400 -0.847600 1.2081E+01 -1.2463E+01 1.2330E+01 H1 4187 1.008000 0.423800 1.1909E+01 -1.2667E+01 1.1367E+01 H2 4188 1.008000 0.423800 1.3031E+01 -1.2173E+01 1.2445E+01 O6 4189 15.999400 -0.847600 -1.0901E+01 -1.1585E+01 1.8786E+00 H1 4190 1.008000 0.423800 -1.0803E+01 -1.2251E+01 1.1382E+00 H2 4191 1.008000 0.423800 -1.0107E+01 -1.1642E+01 2.4840E+00 O6 4192 15.999400 -0.847600 3.8208E+00 1.3611E+01 -3.8440E+00 H1 4193 1.008000 0.423800 3.5892E+00 1.3695E+01 -4.8132E+00 H2 4194 1.008000 0.423800 4.4724E+00 1.2862E+01 -3.7205E+00 O6 4195 15.999400 -0.847600 1.5771E+01 -1.7459E+01 7.8065E+00 H1 4196 1.008000 0.423800 1.6520E+01 -1.7308E+01 7.1613E+00 H2 4197 1.008000 0.423800 1.5358E+01 -1.8354E+01 7.6353E+00 O6 4198 15.999400 -0.847600 -1.6957E+01 -1.6628E+01 -8.8426E+00 H1 4199 1.008000 0.423800 -1.7379E+01 -1.7129E+01 -9.5985E+00 H2 4200 1.008000 0.423800 -1.7115E+01 -1.7121E+01 -7.9869E+00 O6 4201 15.999400 -0.847600 -4.8184E+00 -6.2996E+00 2.8831E+00 H1 4202 1.008000 0.423800 -4.1483E+00 -5.5681E+00 2.7570E+00 H2 4203 1.008000 0.423800 -4.8347E+00 -6.8806E+00 2.0695E+00 O6 4204 15.999400 -0.847600 4.6177E+00 -1.4920E+01 7.5496E+00 H1 4205 1.008000 0.423800 4.5638E+00 -1.4136E+01 6.9309E+00 H2 4206 1.008000 0.423800 4.4566E+00 -1.5762E+01 7.0354E+00 O6 4207 15.999400 -0.847600 5.2249E+00 -1.5511E+01 1.0304E+01 H1 4208 1.008000 0.423800 4.4634E+00 -1.5285E+01 1.0912E+01 H2 4209 1.008000 0.423800 4.9868E+00 -1.5263E+01 9.3654E+00 O6 4210 15.999400 -0.847600 1.4881E+01 9.0346E+00 -6.6012E+00 H1 4211 1.008000 0.423800 1.4635E+01 8.4878E+00 -5.8007E+00 H2 4212 1.008000 0.423800 1.5541E+01 8.5315E+00 -7.1586E+00 O6 4213 15.999400 -0.847600 1.8473E+01 4.8656E+00 -1.5685E+01 H1 4214 1.008000 0.423800 1.7637E+01 4.3541E+00 -1.5885E+01 H2 4215 1.008000 0.423800 1.9215E+01 4.2261E+00 -1.5485E+01 O6 4216 15.999400 -0.847600 1.3815E+01 -1.3732E+01 -1.4457E+01 H1 4217 1.008000 0.423800 1.4213E+01 -1.3097E+01 -1.3795E+01 H2 4218 1.008000 0.423800 1.3651E+01 -1.4614E+01 -1.4015E+01 O6 4219 15.999400 -0.847600 7.0032E+00 6.6614E+00 1.1846E+01 H1 4220 1.008000 0.423800 7.3029E+00 6.6662E+00 1.2800E+01 H2 4221 1.008000 0.423800 6.0538E+00 6.9711E+00 1.1793E+01 O6 4222 15.999400 -0.847600 -1.8521E+01 1.1807E+01 1.6032E+01 H1 4223 1.008000 0.423800 -1.8349E+01 1.0823E+01 1.5987E+01 H2 4224 1.008000 0.423800 -1.8693E+01 1.2072E+01 1.6981E+01 O6 4225 15.999400 -0.847600 -1.2300E+01 1.7143E+01 1.4395E+01 H1 4226 1.008000 0.423800 -1.2102E+01 1.7051E+01 1.5371E+01 H2 4227 1.008000 0.423800 -1.1619E+01 1.7742E+01 1.3972E+01 O6 4228 15.999400 -0.847600 2.3360E+00 -1.9614E+00 -4.9240E+00 H1 4229 1.008000 0.423800 3.1769E+00 -2.4535E+00 -5.1490E+00 H2 4230 1.008000 0.423800 1.5463E+00 -2.4947E+00 -5.2273E+00 O6 4231 15.999400 -0.847600 1.7089E+01 -9.1768E+00 -1.0962E+01 H1 4232 1.008000 0.423800 1.7293E+01 -9.1850E+00 -1.1941E+01 H2 4233 1.008000 0.423800 1.7889E+01 -9.4938E+00 -1.0452E+01 O6 4234 15.999400 -0.847600 1.6448E+01 -1.3871E+01 -7.5570E+00 H1 4235 1.008000 0.423800 1.5888E+01 -1.3913E+01 -8.3840E+00 H2 4236 1.008000 0.423800 1.6547E+01 -1.4789E+01 -7.1744E+00 O6 4237 15.999400 -0.847600 1.8803E+01 -1.6420E+01 -6.9662E+00 H1 4238 1.008000 0.423800 1.8240E+01 -1.6755E+01 -6.2110E+00 H2 4239 1.008000 0.423800 1.8874E+01 -1.5424E+01 -6.9124E+00 O6 4240 15.999400 -0.847600 -8.9566E+00 -1.8247E+01 7.1861E+00 H1 4241 1.008000 0.423800 -9.4779E+00 -1.7903E+01 6.4052E+00 H2 4242 1.008000 0.423800 -9.4514E+00 -1.8047E+01 8.0316E+00 O6 4243 15.999400 -0.847600 -1.5369E+01 7.3399E+00 1.0028E+00 H1 4244 1.008000 0.423800 -1.5030E+01 7.8740E+00 2.2808E-01 H2 4245 1.008000 0.423800 -1.5939E+01 6.5898E+00 6.6700E-01 O6 4246 15.999400 -0.847600 -8.7048E+00 7.9278E+00 1.4548E+00 H1 4247 1.008000 0.423800 -7.7563E+00 8.1708E+00 1.2518E+00 H2 4248 1.008000 0.423800 -9.2617E+00 8.0431E+00 6.3226E-01 O6 4249 15.999400 -0.847600 -1.5491E+01 -3.1209E+00 1.1264E+01 H1 4250 1.008000 0.423800 -1.4867E+01 -3.5507E+00 1.0612E+01 H2 4251 1.008000 0.423800 -1.6153E+01 -2.5578E+00 1.0771E+01 O6 4252 15.999400 -0.847600 -5.2752E+00 6.8607E+00 6.8520E+00 H1 4253 1.008000 0.423800 -5.5471E+00 6.8393E+00 7.8141E+00 H2 4254 1.008000 0.423800 -5.4470E+00 7.7718E+00 6.4773E+00 O6 4255 15.999400 -0.847600 -8.7440E+00 8.6080E+00 -3.2760E+00 H1 4256 1.008000 0.423800 -9.4588E+00 9.2722E+00 -3.4947E+00 H2 4257 1.008000 0.423800 -8.6201E+00 7.9852E+00 -4.0486E+00 O6 4258 15.999400 -0.847600 5.3677E+00 -1.2850E+00 -2.8766E+00 H1 4259 1.008000 0.423800 5.2529E+00 -3.4023E-01 -3.1838E+00 H2 4260 1.008000 0.423800 5.0981E+00 -1.9089E+00 -3.6101E+00 O6 4261 15.999400 -0.847600 4.0889E+00 -8.9367E+00 -5.4313E+00 H1 4262 1.008000 0.423800 4.6139E+00 -8.1994E+00 -5.0061E+00 H2 4263 1.008000 0.423800 3.7428E+00 -9.5511E+00 -4.7222E+00 O6 4264 15.999400 -0.847600 -4.1795E-01 -1.7144E+01 -1.6849E+01 H1 4265 1.008000 0.423800 -1.0255E+00 -1.6478E+01 -1.7282E+01 H2 4266 1.008000 0.423800 -8.3878E-01 -1.7481E+01 -1.6007E+01 O6 4267 15.999400 -0.847600 -1.5508E+01 -5.3028E+00 8.6912E+00 H1 4268 1.008000 0.423800 -1.6429E+01 -4.9227E+00 8.7741E+00 H2 4269 1.008000 0.423800 -1.5301E+01 -5.4674E+00 7.7269E+00 O6 4270 15.999400 -0.847600 4.9264E+00 -1.6656E+01 1.2103E+00 H1 4271 1.008000 0.423800 4.4610E+00 -1.7447E+01 8.1474E-01 H2 4272 1.008000 0.423800 4.6621E+00 -1.6559E+01 2.1698E+00 O6 4273 15.999400 -0.847600 -1.4523E+01 1.1162E+01 3.7986E+00 H1 4274 1.008000 0.423800 -1.4490E+01 1.1787E+01 4.5784E+00 H2 4275 1.008000 0.423800 -1.5352E+01 1.1337E+01 3.2666E+00 O6 4276 15.999400 -0.847600 1.1742E+01 1.3140E+01 -8.5969E+00 H1 4277 1.008000 0.423800 1.2674E+01 1.3460E+01 -8.4293E+00 H2 4278 1.008000 0.423800 1.1108E+01 1.3636E+01 -8.0033E+00 O6 4279 15.999400 -0.847600 5.9643E+00 1.6404E+01 -8.0272E+00 H1 4280 1.008000 0.423800 5.4360E+00 1.6788E+01 -8.7846E+00 H2 4281 1.008000 0.423800 5.4847E+00 1.5609E+01 -7.6553E+00 O6 4282 15.999400 -0.847600 1.6040E+01 8.3459E+00 2.3486E+00 H1 4283 1.008000 0.423800 1.6040E+01 7.6916E+00 1.5924E+00 H2 4284 1.008000 0.423800 1.6244E+01 9.2601E+00 1.9983E+00 O6 4285 15.999400 -0.847600 2.5519E+00 8.7472E+00 -1.2769E+01 H1 4286 1.008000 0.423800 3.2517E+00 9.0331E+00 -1.3424E+01 H2 4287 1.008000 0.423800 1.7200E+00 9.2823E+00 -1.2916E+01 O6 4288 15.999400 -0.847600 -6.0975E+00 1.5443E+01 1.1502E+00 H1 4289 1.008000 0.423800 -7.0495E+00 1.5644E+01 9.1852E-01 H2 4290 1.008000 0.423800 -5.6216E+00 1.5103E+01 3.3907E-01 O6 4291 15.999400 -0.847600 -3.2722E+00 1.6766E+01 -3.5516E+00 H1 4292 1.008000 0.423800 -2.7995E+00 1.7612E+01 -3.3034E+00 H2 4293 1.008000 0.423800 -4.0949E+00 1.6668E+01 -2.9918E+00 O6 4294 15.999400 -0.847600 -9.2591E+00 1.6673E+01 -1.3376E+01 H1 4295 1.008000 0.423800 -8.7476E+00 1.5827E+01 -1.3228E+01 H2 4296 1.008000 0.423800 -8.6312E+00 1.7396E+01 -1.3665E+01 O6 4297 15.999400 -0.847600 -6.2544E+00 2.2871E+00 1.7415E+00 H1 4298 1.008000 0.423800 -7.2140E+00 2.5340E+00 1.8763E+00 H2 4299 1.008000 0.423800 -6.1621E+00 1.7559E+00 8.9934E-01 O6 4300 15.999400 -0.847600 2.3827E+00 -1.1982E+01 -1.8316E+00 H1 4301 1.008000 0.423800 1.6041E+00 -1.1671E+01 -1.2868E+00 H2 4302 1.008000 0.423800 2.3485E+00 -1.2977E+01 -1.9230E+00 O6 4303 15.999400 -0.847600 1.2772E+01 -1.5451E+01 4.4154E+00 H1 4304 1.008000 0.423800 1.2765E+01 -1.6450E+01 4.4726E+00 H2 4305 1.008000 0.423800 1.1907E+01 -1.5134E+01 4.0267E+00 O6 4306 15.999400 -0.847600 5.1553E+00 1.4510E+01 6.8318E+00 H1 4307 1.008000 0.423800 5.9014E+00 1.4974E+01 6.3537E+00 H2 4308 1.008000 0.423800 5.4489E+00 1.4274E+01 7.7581E+00 O6 4309 15.999400 -0.847600 4.4092E+00 -1.3242E+00 1.5489E+01 H1 4310 1.008000 0.423800 3.6066E+00 -1.4668E+00 1.6069E+01 H2 4311 1.008000 0.423800 5.1822E+00 -1.8406E+00 1.5858E+01 O6 4312 15.999400 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2.2359E+00 7.7399E+00 H2 4329 1.008000 0.423800 -1.7249E+00 1.2880E+00 6.4110E+00 O6 4330 15.999400 -0.847600 -1.6966E+01 4.5433E+00 1.9032E+01 H1 4331 1.008000 0.423800 -1.6201E+01 4.5063E+00 -1.9422E+01 H2 4332 1.008000 0.423800 -1.7816E+01 4.3253E+00 1.9512E+01 O6 4333 15.999400 -0.847600 -5.0519E+00 -1.8211E+01 -1.4177E+01 H1 4334 1.008000 0.423800 -5.9645E+00 -1.8402E+01 -1.3816E+01 H2 4335 1.008000 0.423800 -4.4254E+00 -1.8027E+01 -1.3420E+01 O6 4336 15.999400 -0.847600 -2.1827E+00 -1.9390E+01 1.7169E+01 H1 4337 1.008000 0.423800 -1.9259E+00 1.8857E+01 1.7628E+01 H2 4338 1.008000 0.423800 -1.3607E+00 -1.8855E+01 1.6975E+01 O6 4339 15.999400 -0.847600 8.3320E+00 7.8764E+00 9.6922E+00 H1 4340 1.008000 0.423800 9.2889E+00 7.5859E+00 9.6850E+00 H2 4341 1.008000 0.423800 7.8878E+00 7.5397E+00 1.0522E+01 O6 4342 15.999400 -0.847600 4.6441E+00 1.6181E+01 3.6826E+00 H1 4343 1.008000 0.423800 5.2160E+00 1.6184E+01 4.5029E+00 H2 4344 1.008000 0.423800 3.6817E+00 1.6242E+01 3.9471E+00 O6 4345 15.999400 -0.847600 -1.4103E+01 1.4948E+01 -1.4355E+01 H1 4346 1.008000 0.423800 -1.3537E+01 1.4317E+01 -1.3825E+01 H2 4347 1.008000 0.423800 -1.3652E+01 1.5151E+01 -1.5224E+01 O6 4348 15.999400 -0.847600 1.5891E+01 1.1983E+01 6.1237E+00 H1 4349 1.008000 0.423800 1.5665E+01 1.2614E+01 5.3818E+00 H2 4350 1.008000 0.423800 1.6429E+01 1.2462E+01 6.8172E+00 O6 4351 15.999400 -0.847600 -9.7744E+00 2.2793E+00 1.9496E-01 H1 4352 1.008000 0.423800 -9.7308E+00 1.9590E+00 1.1413E+00 H2 4353 1.008000 0.423800 -9.6151E+00 1.5107E+00 -4.2463E-01 O6 4354 15.999400 -0.847600 4.9744E+00 -1.9360E+01 1.6962E+01 H1 4355 1.008000 0.423800 5.1465E+00 -1.8668E+01 1.6261E+01 H2 4356 1.008000 0.423800 5.6988E+00 1.9049E+01 1.6935E+01 O6 4357 15.999400 -0.847600 2.1430E+00 -5.3078E+00 1.7401E+01 H1 4358 1.008000 0.423800 2.0007E+00 -5.4346E+00 1.8383E+01 H2 4359 1.008000 0.423800 1.9075E+00 -6.1514E+00 1.6919E+01 O6 4360 15.999400 -0.847600 4.8092E+00 -4.7519E+00 -1.2000E+01 H1 4361 1.008000 0.423800 3.9209E+00 -4.3045E+00 -1.1897E+01 H2 4362 1.008000 0.423800 5.2042E+00 -4.5076E+00 -1.2886E+01 O6 4363 15.999400 -0.847600 1.8834E+01 1.4841E+01 1.5138E+01 H1 4364 1.008000 0.423800 1.8282E+01 1.4312E+01 1.5783E+01 H2 4365 1.008000 0.423800 -1.9307E+01 1.4826E+01 1.5427E+01 O6 4366 15.999400 -0.847600 1.3822E+00 -6.4621E+00 8.2988E+00 H1 4367 1.008000 0.423800 3.9067E-01 -6.4520E+00 8.1694E+00 H2 4368 1.008000 0.423800 1.8316E+00 -6.6162E+00 7.4189E+00 O6 4369 15.999400 -0.847600 1.8755E+01 -1.0443E+01 7.6860E-01 H1 4370 1.008000 0.423800 1.9074E+01 -9.7287E+00 1.3925E+00 H2 4371 1.008000 0.423800 1.8590E+01 -1.1284E+01 1.2821E+00 O6 4372 15.999400 -0.847600 -2.5650E+00 -5.8227E+00 -1.8715E+01 H1 4373 1.008000 0.423800 -1.9558E+00 -5.0764E+00 -1.8983E+01 H2 4374 1.008000 0.423800 -2.3443E+00 -6.6404E+00 -1.9246E+01 O6 4375 15.999400 -0.847600 1.3845E+01 1.0837E-01 4.6955E+00 H1 4376 1.008000 0.423800 1.4756E+01 5.1907E-01 4.6568E+00 H2 4377 1.008000 0.423800 1.3153E+01 8.2609E-01 4.6225E+00 O6 4378 15.999400 -0.847600 1.5166E+00 -5.3565E+00 -8.2602E+00 H1 4379 1.008000 0.423800 2.1405E+00 -5.7013E+00 -8.9616E+00 H2 4380 1.008000 0.423800 9.1982E-01 -6.0973E+00 -7.9519E+00 O6 4381 15.999400 -0.847600 1.2230E+01 -1.1025E+01 1.6548E+01 H1 4382 1.008000 0.423800 1.2091E+01 -1.1826E+01 1.7131E+01 H2 4383 1.008000 0.423800 1.1801E+01 -1.1182E+01 1.5658E+01 O6 4384 15.999400 -0.847600 4.5637E+00 9.8671E+00 -6.0257E-01 H1 4385 1.008000 0.423800 4.1405E+00 1.0186E+01 -1.4508E+00 H2 4386 1.008000 0.423800 5.1573E+00 9.0867E+00 -7.9889E-01 O6 4387 15.999400 -0.847600 7.3297E+00 -1.4108E+01 -3.2968E+00 H1 4388 1.008000 0.423800 6.4659E+00 -1.4445E+01 -2.9224E+00 H2 4389 1.008000 0.423800 7.4128E+00 -1.4392E+01 -4.2518E+00 O6 4390 15.999400 -0.847600 -1.8649E+01 1.7548E+01 -1.8201E+01 H1 4391 1.008000 0.423800 1.9450E+01 1.7483E+01 -1.8210E+01 H2 4392 1.008000 0.423800 -1.8379E+01 1.8497E+01 -1.8038E+01 O6 4393 15.999400 -0.847600 -1.4501E+01 1.9305E+01 4.3811E+00 H1 4394 1.008000 0.423800 -1.4161E+01 1.8466E+01 3.9572E+00 H2 4395 1.008000 0.423800 -1.3734E+01 -1.9283E+01 4.7718E+00 O6 4396 15.999400 -0.847600 -2.2715E+00 -4.4010E+00 4.6755E+00 H1 4397 1.008000 0.423800 -3.0879E+00 -3.8241E+00 4.6504E+00 H2 4398 1.008000 0.423800 -1.9241E+00 -4.5275E+00 3.7464E+00 O6 4399 15.999400 -0.847600 8.5103E+00 1.1076E+01 -7.2425E+00 H1 4400 1.008000 0.423800 8.2922E+00 1.2018E+01 -6.9852E+00 H2 4401 1.008000 0.423800 9.4690E+00 1.0887E+01 -7.0307E+00 O6 4402 15.999400 -0.847600 3.4399E+00 -1.4188E+01 8.9033E-01 H1 4403 1.008000 0.423800 2.4656E+00 -1.4206E+01 1.1146E+00 H2 4404 1.008000 0.423800 3.7416E+00 -1.5108E+01 6.4070E-01 O6 4405 15.999400 -0.847600 1.1268E+00 -8.7677E+00 5.1919E+00 H1 4406 1.008000 0.423800 7.8292E-01 -8.3142E+00 4.3696E+00 H2 4407 1.008000 0.423800 1.8420E+00 -8.2062E+00 5.6079E+00 O6 4408 15.999400 -0.847600 5.4680E+00 -7.6020E+00 -1.1824E+01 H1 4409 1.008000 0.423800 4.9170E+00 -7.9785E+00 -1.1079E+01 H2 4410 1.008000 0.423800 5.1933E+00 -6.6561E+00 -1.1996E+01 O6 4411 15.999400 -0.847600 -5.6579E+00 -1.1372E+01 -1.2498E+01 H1 4412 1.008000 0.423800 -5.5778E+00 -1.2360E+01 -1.2631E+01 H2 4413 1.008000 0.423800 -5.5661E+00 -1.1158E+01 -1.1526E+01 O6 4414 15.999400 -0.847600 -3.6891E-01 -1.3065E+00 -1.0872E+01 H1 4415 1.008000 0.423800 -8.5644E-02 -1.9406E+00 -1.1592E+01 H2 4416 1.008000 0.423800 1.1158E-01 -4.3699E-01 -1.0986E+01 O6 4417 15.999400 -0.847600 -1.7617E+01 -3.1941E+00 -1.9520E+01 H1 4418 1.008000 0.423800 -1.7985E+01 -2.8455E+00 1.8716E+01 H2 4419 1.008000 0.423800 -1.6906E+01 -3.8716E+00 1.9387E+01 O6 4420 15.999400 -0.847600 -1.3182E+01 -1.2712E+01 -1.3701E+01 H1 4421 1.008000 0.423800 -1.3063E+01 -1.3616E+01 -1.3291E+01 H2 4422 1.008000 0.423800 -1.4099E+01 -1.2370E+01 -1.3494E+01 O6 4423 15.999400 -0.847600 2.9055E+00 -6.7628E+00 5.9140E+00 H1 4424 1.008000 0.423800 3.6775E+00 -6.3160E+00 6.3661E+00 H2 4425 1.008000 0.423800 2.8027E+00 -6.3958E+00 4.9895E+00 O6 4426 15.999400 -0.847600 3.4411E+00 -5.9706E+00 -5.8630E+00 H1 4427 1.008000 0.423800 3.5281E+00 -6.9185E+00 -5.5563E+00 H2 4428 1.008000 0.423800 2.9222E+00 -5.9430E+00 -6.7173E+00 O6 4429 15.999400 -0.847600 -2.3519E+00 -1.5030E+01 1.2501E+01 H1 4430 1.008000 0.423800 -2.4454E+00 -1.5350E+01 1.3444E+01 H2 4431 1.008000 0.423800 -1.4874E+00 -1.4538E+01 1.2400E+01 O6 4432 15.999400 -0.847600 -1.0155E+01 -1.1267E+01 -1.8662E+01 H1 4433 1.008000 0.423800 -1.0641E+01 -1.1959E+01 -1.9195E+01 H2 4434 1.008000 0.423800 -9.2510E+00 -1.1613E+01 -1.8412E+01 O6 4435 15.999400 -0.847600 -1.0234E+01 -9.1379E+00 1.8507E+01 H1 4436 1.008000 0.423800 -1.0112E+01 -8.4170E+00 1.9189E+01 H2 4437 1.008000 0.423800 -1.0441E+01 -1.0001E+01 1.8967E+01 O6 4438 15.999400 -0.847600 -1.2395E+00 6.6395E+00 -1.5356E+01 H1 4439 1.008000 0.423800 -1.3953E+00 7.3264E+00 -1.6066E+01 H2 4440 1.008000 0.423800 -1.7305E+00 6.9016E+00 -1.4525E+01 O6 4441 15.999400 -0.847600 7.5440E+00 -1.6362E+01 1.3675E+01 H1 4442 1.008000 0.423800 7.8108E+00 -1.6389E+01 1.4638E+01 H2 4443 1.008000 0.423800 8.0791E+00 -1.5663E+01 1.3200E+01 O6 4444 15.999400 -0.847600 1.0984E+01 -1.8039E+01 1.4561E+01 H1 4445 1.008000 0.423800 1.1109E+01 -1.8672E+01 1.5326E+01 H2 4446 1.008000 0.423800 1.0419E+01 -1.8472E+01 1.3859E+01 O6 4447 15.999400 -0.847600 3.1738E+00 4.0744E-01 7.3147E+00 H1 4448 1.008000 0.423800 3.5356E+00 -5.2408E-01 7.2771E+00 H2 4449 1.008000 0.423800 2.7637E+00 5.6973E-01 8.2121E+00 O6 4450 15.999400 -0.847600 5.3018E-02 1.4723E+01 -3.2270E-01 H1 4451 1.008000 0.423800 9.2606E-01 1.4489E+01 -7.5065E-01 H2 4452 1.008000 0.423800 -3.5004E-01 1.3902E+01 8.2238E-02 O6 4453 15.999400 -0.847600 -7.8697E+00 -1.4289E+01 -4.6919E+00 H1 4454 1.008000 0.423800 -8.3265E+00 -1.5001E+01 -4.1582E+00 H2 4455 1.008000 0.423800 -7.2327E+00 -1.3789E+01 -4.1049E+00 O6 4456 15.999400 -0.847600 1.3395E+01 -1.8111E+01 -1.5510E+01 H1 4457 1.008000 0.423800 1.4350E+01 -1.8394E+01 -1.5417E+01 H2 4458 1.008000 0.423800 1.3185E+01 -1.7416E+01 -1.4823E+01 O6 4459 15.999400 -0.847600 -1.5596E+01 -1.9224E+01 1.4426E+01 H1 4460 1.008000 0.423800 -1.5109E+01 1.9490E+01 1.3641E+01 H2 4461 1.008000 0.423800 -1.5056E+01 -1.8483E+01 1.4824E+01 O6 4462 15.999400 -0.847600 -1.9073E+01 1.5789E+01 -4.2609E+00 H1 4463 1.008000 0.423800 -1.9069E+01 1.5317E+01 -5.1429E+00 H2 4464 1.008000 0.423800 1.9302E+01 1.5410E+01 -3.6836E+00 O6 4465 15.999400 -0.847600 7.2133E-01 -1.8519E+01 4.4621E-01 H1 4466 1.008000 0.423800 1.6624E+00 -1.8184E+01 4.9260E-01 H2 4467 1.008000 0.423800 7.2379E-01 -1.9484E+01 1.8633E-01 O6 4468 15.999400 -0.847600 -2.4380E+00 4.3655E-01 1.1676E+01 H1 4469 1.008000 0.423800 -2.9551E+00 -1.1751E-01 1.2329E+01 H2 4470 1.008000 0.423800 -2.0330E+00 1.2183E+00 1.2151E+01 O6 4471 15.999400 -0.847600 4.8105E+00 3.3684E+00 -1.3026E+01 H1 4472 1.008000 0.423800 4.9139E+00 3.3530E+00 -1.2032E+01 H2 4473 1.008000 0.423800 5.6229E+00 2.9701E+00 -1.3452E+01 O6 4474 15.999400 -0.847600 1.7808E+01 -4.6151E+00 -2.7192E+00 H1 4475 1.008000 0.423800 1.6919E+01 -4.3864E+00 -2.3215E+00 H2 4476 1.008000 0.423800 1.8116E+01 -3.8623E+00 -3.3006E+00 O6 4477 15.999400 -0.847600 -1.4682E+01 -1.5657E+01 -1.8461E+01 H1 4478 1.008000 0.423800 -1.5191E+01 -1.4925E+01 -1.8008E+01 H2 4479 1.008000 0.423800 -1.4360E+01 -1.5336E+01 -1.9352E+01 O6 4480 15.999400 -0.847600 -1.6787E+00 -8.6761E+00 8.3786E+00 H1 4481 1.008000 0.423800 -2.0450E+00 -7.7499E+00 8.2894E+00 H2 4482 1.008000 0.423800 -2.3549E+00 -9.2601E+00 8.8277E+00 O6 4483 15.999400 -0.847600 8.1382E+00 8.5413E+00 -1.3831E+01 H1 4484 1.008000 0.423800 7.4968E+00 8.2019E+00 -1.3143E+01 H2 4485 1.008000 0.423800 9.0291E+00 8.7013E+00 -1.3406E+01 O6 4486 15.999400 -0.847600 -1.7661E+00 1.9256E+01 7.9807E+00 H1 4487 1.008000 0.423800 -1.4067E+00 -1.9073E+01 7.4524E+00 H2 4488 1.008000 0.423800 -2.0941E+00 -1.9514E+01 8.8665E+00 O6 4489 15.999400 -0.847600 -1.2756E+01 -3.3475E+00 1.4551E+01 H1 4490 1.008000 0.423800 -1.3720E+01 -3.6133E+00 1.4544E+01 H2 4491 1.008000 0.423800 -1.2199E+01 -4.1070E+00 1.4216E+01 O6 4492 15.999400 -0.847600 -1.5146E+01 -1.0179E+01 1.6195E+01 H1 4493 1.008000 0.423800 -1.5503E+01 -9.2499E+00 1.6293E+01 H2 4494 1.008000 0.423800 -1.5240E+01 -1.0473E+01 1.5244E+01 O6 4495 15.999400 -0.847600 -2.7929E+00 6.3635E+00 -1.0412E+01 H1 4496 1.008000 0.423800 -1.8669E+00 6.6231E+00 -1.0138E+01 H2 4497 1.008000 0.423800 -2.7798E+00 5.4412E+00 -1.0798E+01 O6 4498 15.999400 -0.847600 -5.5496E+00 8.6891E+00 2.6913E+00 H1 4499 1.008000 0.423800 -5.3191E+00 7.9532E+00 3.3280E+00 H2 4500 1.008000 0.423800 -5.4857E+00 9.5692E+00 3.1619E+00 O6 4501 15.999400 -0.847600 8.3981E+00 -1.8260E+00 -6.0821E+00 H1 4502 1.008000 0.423800 9.1128E+00 -1.3444E+00 -6.5895E+00 H2 4503 1.008000 0.423800 7.5469E+00 -1.8075E+00 -6.6066E+00 O6 4504 15.999400 -0.847600 1.7249E+01 9.6060E+00 1.6100E+01 H1 4505 1.008000 0.423800 1.7185E+01 1.0602E+01 1.6155E+01 H2 4506 1.008000 0.423800 1.6743E+01 9.2830E+00 1.5300E+01 O6 4507 15.999400 -0.847600 -1.4375E+01 -4.9768E+00 -1.6135E+01 H1 4508 1.008000 0.423800 -1.5030E+01 -5.7229E+00 -1.6254E+01 H2 4509 1.008000 0.423800 -1.3550E+01 -5.3255E+00 -1.5691E+01 O6 4510 15.999400 -0.847600 -1.7166E+01 6.5532E-01 3.6769E-01 H1 4511 1.008000 0.423800 -1.7324E+01 6.6094E-01 1.3552E+00 H2 4512 1.008000 0.423800 -1.6332E+01 1.1670E+00 1.6032E-01 O6 4513 15.999400 -0.847600 1.5911E+01 -1.5231E+01 -1.6555E+01 H1 4514 1.008000 0.423800 1.5245E+01 -1.4677E+01 -1.6056E+01 H2 4515 1.008000 0.423800 1.5928E+01 -1.6156E+01 -1.6175E+01 O6 4516 15.999400 -0.847600 -1.8230E+01 -4.8172E-01 -1.7197E+01 H1 4517 1.008000 0.423800 -1.8782E+01 3.3022E-01 -1.7006E+01 H2 4518 1.008000 0.423800 -1.7501E+01 -2.4593E-01 -1.7839E+01 O6 4519 15.999400 -0.847600 4.5243E+00 1.8704E+01 -1.5834E+01 H1 4520 1.008000 0.423800 5.2977E+00 1.8074E+01 -1.5765E+01 H2 4521 1.008000 0.423800 4.7471E+00 1.9435E+01 -1.6478E+01 O6 4522 15.999400 -0.847600 1.9421E+01 1.5553E+01 -1.4320E+01 H1 4523 1.008000 0.423800 1.9407E+01 1.5734E+01 -1.3337E+01 H2 4524 1.008000 0.423800 -1.8839E+01 1.5930E+01 -1.4717E+01 O6 4525 15.999400 -0.847600 3.7996E+00 3.2283E+00 1.8310E+00 H1 4526 1.008000 0.423800 4.7552E+00 3.1889E+00 1.5390E+00 H2 4527 1.008000 0.423800 3.7103E+00 3.8689E+00 2.5937E+00 O6 4528 15.999400 -0.847600 -1.7809E+01 2.0666E+00 4.2665E+00 H1 4529 1.008000 0.423800 -1.6930E+01 2.5069E+00 4.4463E+00 H2 4530 1.008000 0.423800 -1.7668E+01 1.2656E+00 3.6847E+00 O6 4531 15.999400 -0.847600 -1.0935E+01 -6.0487E+00 8.8379E+00 H1 4532 1.008000 0.423800 -9.9379E+00 -6.1102E+00 8.8747E+00 H2 4533 1.008000 0.423800 -1.1248E+01 -6.2598E+00 7.9119E+00 O6 4534 15.999400 -0.847600 -9.3583E+00 -9.2059E+00 -1.6448E+01 H1 4535 1.008000 0.423800 -9.0482E+00 -9.7264E+00 -1.5652E+01 H2 4536 1.008000 0.423800 -9.3087E+00 -9.7825E+00 -1.7263E+01 O6 4537 15.999400 -0.847600 1.0646E+01 1.3241E+00 -1.0004E+01 H1 4538 1.008000 0.423800 1.1407E+01 1.8181E+00 -1.0424E+01 H2 4539 1.008000 0.423800 1.0574E+01 1.5795E+00 -9.0394E+00 O6 4540 15.999400 -0.847600 3.0705E+00 -5.1585E+00 -1.6308E+01 H1 4541 1.008000 0.423800 3.2513E+00 -6.1159E+00 -1.6533E+01 H2 4542 1.008000 0.423800 3.9149E+00 -4.6302E+00 -1.6396E+01 O6 4543 15.999400 -0.847600 -1.2323E+01 1.2967E+01 -1.3001E+01 H1 4544 1.008000 0.423800 -1.1371E+01 1.3106E+01 -1.3275E+01 H2 4545 1.008000 0.423800 -1.2562E+01 1.2001E+01 -1.3105E+01 O6 4546 15.999400 -0.847600 -1.3623E+01 -9.7175E+00 -3.6875E+00 H1 4547 1.008000 0.423800 -1.2941E+01 -9.3153E+00 -4.2987E+00 H2 4548 1.008000 0.423800 -1.3172E+01 -1.0050E+01 -2.8590E+00 O6 4549 15.999400 -0.847600 2.6271E+00 -1.3668E+01 -1.3962E+01 H1 4550 1.008000 0.423800 2.7651E+00 -1.4659E+01 -1.3981E+01 H2 4551 1.008000 0.423800 2.5627E+00 -1.3359E+01 -1.3013E+01 O6 4552 15.999400 -0.847600 4.4414E-01 -3.4973E+00 -6.1556E+00 H1 4553 1.008000 0.423800 -1.3669E-01 -4.1477E+00 -5.6660E+00 H2 4554 1.008000 0.423800 1.0711E+00 -3.9955E+00 -6.7544E+00 O6 4555 15.999400 -0.847600 6.7665E+00 1.2138E+01 1.5168E+01 H1 4556 1.008000 0.423800 5.8894E+00 1.1863E+01 1.5562E+01 H2 4557 1.008000 0.423800 7.0407E+00 1.1476E+01 1.4471E+01 O6 4558 15.999400 -0.847600 -8.5113E+00 1.4060E+01 6.2325E+00 H1 4559 1.008000 0.423800 -8.8646E+00 1.3984E+01 7.1649E+00 H2 4560 1.008000 0.423800 -7.6545E+00 1.3550E+01 6.1579E+00 O6 4561 15.999400 -0.847600 -8.7479E+00 -2.7507E+00 1.7396E+01 H1 4562 1.008000 0.423800 -9.3245E+00 -2.3121E+00 1.6707E+01 H2 4563 1.008000 0.423800 -7.8394E+00 -2.3328E+00 1.7386E+01 O6 4564 15.999400 -0.847600 1.3233E+01 5.1491E+00 -4.3006E+00 H1 4565 1.008000 0.423800 1.3101E+01 4.6129E+00 -5.1343E+00 H2 4566 1.008000 0.423800 1.3888E+01 5.8841E+00 -4.4772E+00 O6 4567 15.999400 -0.847600 9.2438E-01 -1.1273E+01 -5.4419E+00 H1 4568 1.008000 0.423800 8.1445E-01 -1.0945E+01 -6.3800E+00 H2 4569 1.008000 0.423800 1.5436E+00 -1.0664E+01 -4.9461E+00 O6 4570 15.999400 -0.847600 -3.6370E+00 1.5774E+01 -1.8902E+01 H1 4571 1.008000 0.423800 -3.5582E+00 1.6628E+01 -1.8389E+01 H2 4572 1.008000 0.423800 -3.1817E+00 1.5039E+01 -1.8399E+01 O6 4573 15.999400 -0.847600 1.7121E+01 5.7941E+00 -9.3740E+00 H1 4574 1.008000 0.423800 1.7109E+01 5.0481E+00 -8.7081E+00 H2 4575 1.008000 0.423800 1.7010E+01 6.6669E+00 -8.8986E+00 O6 4576 15.999400 -0.847600 -1.0971E+01 5.8468E+00 -1.9516E+01 H1 4577 1.008000 0.423800 -1.1543E+01 5.3243E+00 -1.8883E+01 H2 4578 1.008000 0.423800 -1.0008E+01 5.7052E+00 -1.9290E+01 O6 4579 15.999400 -0.847600 -1.6112E+01 -7.5451E+00 4.1080E+00 H1 4580 1.008000 0.423800 -1.6708E+01 -6.8416E+00 3.7214E+00 H2 4581 1.008000 0.423800 -1.5334E+01 -7.6948E+00 3.4976E+00 O6 4582 15.999400 -0.847600 -9.6871E+00 -1.1790E+01 6.4464E+00 H1 4583 1.008000 0.423800 -1.0602E+01 -1.2085E+01 6.1724E+00 H2 4584 1.008000 0.423800 -9.2758E+00 -1.2484E+01 7.0372E+00 O6 4585 15.999400 -0.847600 7.7410E+00 3.8272E+00 -1.0392E+01 H1 4586 1.008000 0.423800 7.3674E+00 2.9317E+00 -1.0635E+01 H2 4587 1.008000 0.423800 8.2562E+00 4.1939E+00 -1.1167E+01 O6 4588 15.999400 -0.847600 4.2888E-01 -1.7101E+01 1.4683E+01 H1 4589 1.008000 0.423800 1.3304E+00 -1.7404E+01 1.4373E+01 H2 4590 1.008000 0.423800 4.4360E-01 -1.6114E+01 1.4837E+01 O6 4591 15.999400 -0.847600 -1.5936E+01 -1.4831E+00 -7.7534E+00 H1 4592 1.008000 0.423800 -1.6525E+01 -2.0803E+00 -8.2976E+00 H2 4593 1.008000 0.423800 -1.5331E+01 -2.0403E+00 -7.1846E+00 O6 4594 15.999400 -0.847600 4.8194E+00 -1.7438E+01 -2.9092E+00 H1 4595 1.008000 0.423800 5.5938E+00 -1.7704E+01 -2.3351E+00 H2 4596 1.008000 0.423800 4.6428E+00 -1.8154E+01 -3.5839E+00 O6 4597 15.999400 -0.847600 1.0165E+01 1.6749E+01 1.0700E+01 H1 4598 1.008000 0.423800 1.0778E+01 1.7442E+01 1.0322E+01 H2 4599 1.008000 0.423800 9.7836E+00 1.7078E+01 1.1564E+01 O6 4600 15.999400 -0.847600 -6.5482E+00 1.1751E+00 -1.0179E+01 H1 4601 1.008000 0.423800 -6.3689E+00 1.0376E+00 -1.1153E+01 H2 4602 1.008000 0.423800 -5.8881E+00 1.8279E+00 -9.8071E+00 O6 4603 15.999400 -0.847600 1.0035E+01 -5.0045E+00 5.1770E+00 H1 4604 1.008000 0.423800 1.0174E+01 -5.4946E+00 4.3164E+00 H2 4605 1.008000 0.423800 9.3224E+00 -4.3133E+00 5.0558E+00 O6 4606 15.999400 -0.847600 -1.0657E+01 1.5992E+01 -1.9028E+01 H1 4607 1.008000 0.423800 -1.1507E+01 1.6324E+01 -1.9437E+01 H2 4608 1.008000 0.423800 -1.0710E+01 1.5001E+01 -1.8908E+01 O6 4609 15.999400 -0.847600 6.2186E+00 -7.8750E+00 -1.5045E+01 H1 4610 1.008000 0.423800 6.7750E+00 -7.0974E+00 -1.5337E+01 H2 4611 1.008000 0.423800 6.3535E+00 -8.0317E+00 -1.4066E+01 O6 4612 15.999400 -0.847600 2.4005E+00 -2.6531E+00 -1.1582E+01 H1 4613 1.008000 0.423800 3.2430E+00 -2.1167E+00 -1.1534E+01 H2 4614 1.008000 0.423800 1.9377E+00 -2.4688E+00 -1.2449E+01 O6 4615 15.999400 -0.847600 -1.2046E+01 6.6469E+00 5.0785E+00 H1 4616 1.008000 0.423800 -1.2584E+01 6.3016E+00 4.3093E+00 H2 4617 1.008000 0.423800 -1.2648E+01 6.8058E+00 5.8612E+00 O6 4618 15.999400 -0.847600 -8.8654E+00 3.0595E+00 -1.2850E+01 H1 4619 1.008000 0.423800 -8.1066E+00 2.7537E+00 -1.3425E+01 H2 4620 1.008000 0.423800 -9.4054E+00 2.2685E+00 -1.2562E+01 O6 4621 15.999400 -0.847600 5.8415E+00 -3.6527E+00 -1.4328E+01 H1 4622 1.008000 0.423800 6.8205E+00 -3.8132E+00 -1.4202E+01 H2 4623 1.008000 0.423800 5.6446E+00 -3.5393E+00 -1.5301E+01 O6 4624 15.999400 -0.847600 -6.5454E+00 -4.1157E+00 -1.8004E+01 H1 4625 1.008000 0.423800 -7.4608E+00 -4.1340E+00 -1.7601E+01 H2 4626 1.008000 0.423800 -6.6163E+00 -4.2007E+00 -1.8997E+01 O6 4627 15.999400 -0.847600 1.8310E+01 6.7721E-01 -1.9342E+01 H1 4628 1.008000 0.423800 1.7973E+01 -2.6403E-01 -1.9359E+01 H2 4629 1.008000 0.423800 1.8211E+01 1.0835E+00 1.8847E+01 O6 4630 15.999400 -0.847600 1.1846E+01 -1.4470E+01 -7.2199E+00 H1 4631 1.008000 0.423800 1.1169E+01 -1.5201E+01 -7.3100E+00 H2 4632 1.008000 0.423800 1.2761E+01 -1.4842E+01 -7.3775E+00 O6 4633 15.999400 -0.847600 1.2510E+01 1.6326E+01 2.6604E+00 H1 4634 1.008000 0.423800 1.3420E+01 1.6301E+01 3.0735E+00 H2 4635 1.008000 0.423800 1.1984E+01 1.5531E+01 2.9636E+00 O6 4636 15.999400 -0.847600 1.5359E+01 -1.8613E+01 4.0267E+00 H1 4637 1.008000 0.423800 1.4417E+01 -1.8519E+01 4.3494E+00 H2 4638 1.008000 0.423800 1.5628E+01 1.9521E+01 4.0589E+00 O6 4639 15.999400 -0.847600 1.5139E+01 1.7294E+00 1.2604E+01 H1 4640 1.008000 0.423800 1.4925E+01 1.0222E+00 1.3277E+01 H2 4641 1.008000 0.423800 1.5618E+01 2.4838E+00 1.3053E+01 O6 4642 15.999400 -0.847600 7.3129E+00 -1.8119E+01 -8.7504E+00 H1 4643 1.008000 0.423800 7.7394E+00 -1.7357E+01 -9.2386E+00 H2 4644 1.008000 0.423800 8.0225E+00 -1.8736E+01 -8.4108E+00 O6 4645 15.999400 -0.847600 1.1280E+01 -7.1016E+00 -1.2424E+01 H1 4646 1.008000 0.423800 1.1368E+01 -7.4150E+00 -1.1479E+01 H2 4647 1.008000 0.423800 1.1655E+01 -7.7938E+00 -1.3041E+01 O6 4648 15.999400 -0.847600 -1.4202E+01 -1.6561E+01 6.2536E+00 H1 4649 1.008000 0.423800 -1.4261E+01 -1.6287E+01 5.2937E+00 H2 4650 1.008000 0.423800 -1.3556E+01 -1.7319E+01 6.3447E+00 O6 4651 15.999400 -0.847600 -9.1832E+00 -1.0115E+01 9.1642E+00 H1 4652 1.008000 0.423800 -8.6811E+00 -9.2515E+00 9.1225E+00 H2 4653 1.008000 0.423800 -9.8181E+00 -1.0169E+01 8.3935E+00 O6 4654 15.999400 -0.847600 -8.8296E+00 4.8001E+00 8.2884E+00 H1 4655 1.008000 0.423800 -7.9347E+00 4.4314E+00 8.5399E+00 H2 4656 1.008000 0.423800 -9.4356E+00 4.7752E+00 9.0835E+00 O6 4657 15.999400 -0.847600 1.4254E+01 -1.7148E+01 -2.4138E+00 H1 4658 1.008000 0.423800 1.3341E+01 -1.6856E+01 -2.1305E+00 H2 4659 1.008000 0.423800 1.4939E+01 -1.6717E+01 -1.8259E+00 O6 4660 15.999400 -0.847600 1.0099E+01 1.4142E+01 1.1992E+00 H1 4661 1.008000 0.423800 9.9859E+00 1.3158E+01 1.3392E+00 H2 4662 1.008000 0.423800 1.0448E+01 1.4560E+01 2.0382E+00 O6 4663 15.999400 -0.847600 1.6964E+01 -1.4233E+01 5.6175E+00 H1 4664 1.008000 0.423800 1.6958E+01 -1.4426E+01 6.5989E+00 H2 4665 1.008000 0.423800 1.7879E+01 -1.3943E+01 5.3403E+00 O6 4666 15.999400 -0.847600 -1.3875E+01 -1.5197E+01 -3.6386E+00 H1 4667 1.008000 0.423800 -1.4705E+01 -1.5728E+01 -3.8097E+00 H2 4668 1.008000 0.423800 -1.3265E+01 -1.5268E+01 -4.4278E+00 O6 4669 15.999400 -0.847600 1.7516E+01 1.7814E+01 2.9527E+00 H1 4670 1.008000 0.423800 1.6708E+01 1.7245E+01 3.1079E+00 H2 4671 1.008000 0.423800 1.8197E+01 1.7291E+01 2.4405E+00 O6 4672 15.999400 -0.847600 -6.2303E-01 -1.5387E-01 9.8518E+00 H1 4673 1.008000 0.423800 -1.3569E+00 -1.8294E-01 1.0531E+01 H2 4674 1.008000 0.423800 -9.8154E-01 2.0091E-01 8.9883E+00 O6 4675 15.999400 -0.847600 -1.2386E+01 -1.5244E+01 1.6203E+01 H1 4676 1.008000 0.423800 -1.3200E+01 -1.4841E+01 1.5784E+01 H2 4677 1.008000 0.423800 -1.1910E+01 -1.4549E+01 1.6741E+01 O6 4678 15.999400 -0.847600 -4.9274E+00 -6.2730E+00 -1.7508E+01 H1 4679 1.008000 0.423800 -4.1265E+00 -6.1316E+00 -1.8090E+01 H2 4680 1.008000 0.423800 -5.5093E+00 -5.4604E+00 -1.7538E+01 O6 4681 15.999400 -0.847600 1.9410E+01 8.4113E+00 -1.3502E+01 H1 4682 1.008000 0.423800 1.8795E+01 7.7242E+00 -1.3888E+01 H2 4683 1.008000 0.423800 1.9477E+01 8.2809E+00 -1.2512E+01 O6 4684 15.999400 -0.847600 -4.7411E+00 -1.0932E+01 5.5486E+00 H1 4685 1.008000 0.423800 -4.8172E+00 -1.1765E+01 6.0957E+00 H2 4686 1.008000 0.423800 -5.4466E+00 -1.0282E+01 5.8316E+00 O6 4687 15.999400 -0.847600 4.6978E+00 9.6956E-01 -4.0581E+00 H1 4688 1.008000 0.423800 5.5892E+00 1.1369E+00 -4.4794E+00 H2 4689 1.008000 0.423800 4.1984E+00 1.8325E+00 -3.9810E+00 O6 4690 15.999400 -0.847600 1.7581E+01 1.0996E+00 1.1106E+01 H1 4691 1.008000 0.423800 1.6804E+01 1.4547E+00 1.1626E+01 H2 4692 1.008000 0.423800 1.8399E+01 1.6322E+00 1.1324E+01 O6 4693 15.999400 -0.847600 -1.8817E-01 5.4277E-01 1.7322E+01 H1 4694 1.008000 0.423800 -1.9716E-01 2.2272E-01 1.8269E+01 H2 4695 1.008000 0.423800 3.6213E-01 1.3752E+00 1.7257E+01 O6 4696 15.999400 -0.847600 -1.3681E+01 1.8374E+01 -1.5879E+01 H1 4697 1.008000 0.423800 -1.3341E+01 1.8544E+01 -1.4954E+01 H2 4698 1.008000 0.423800 -1.4591E+01 1.8774E+01 -1.5979E+01 O6 4699 15.999400 -0.847600 -1.8906E+00 1.7227E+01 -1.2317E+01 H1 4700 1.008000 0.423800 -2.8169E+00 1.7456E+01 -1.2617E+01 H2 4701 1.008000 0.423800 -1.2940E+00 1.7142E+01 -1.3115E+01 O6 4702 15.999400 -0.847600 1.6352E+01 8.2665E+00 -8.6883E+00 H1 4703 1.008000 0.423800 1.6818E+01 8.9049E+00 -9.3014E+00 H2 4704 1.008000 0.423800 1.5428E+01 8.0931E+00 -9.0272E+00 O6 4705 15.999400 -0.847600 -1.9283E+01 -9.2040E+00 1.6302E+01 H1 4706 1.008000 0.423800 -1.8812E+01 -9.3852E+00 1.7166E+01 H2 4707 1.008000 0.423800 1.8955E+01 -9.7152E+00 1.6278E+01 O6 4708 15.999400 -0.847600 -1.8816E+01 1.4287E+01 -6.3246E+00 H1 4709 1.008000 0.423800 -1.8865E+01 1.3423E+01 -5.8238E+00 H2 4710 1.008000 0.423800 -1.8467E+01 1.4118E+01 -7.2465E+00 O6 4711 15.999400 -0.847600 1.1101E+01 1.8000E+01 4.1759E+00 H1 4712 1.008000 0.423800 1.1615E+01 1.7294E+01 3.6877E+00 H2 4713 1.008000 0.423800 1.1123E+01 1.8851E+01 3.6517E+00 O6 4714 15.999400 -0.847600 -2.6522E+00 2.6157E+00 1.7643E+01 H1 4715 1.008000 0.423800 -1.6748E+00 2.4479E+00 1.7513E+01 H2 4716 1.008000 0.423800 -3.1447E+00 2.3789E+00 1.6805E+01 O6 4717 15.999400 -0.847600 2.6088E+00 1.7849E+01 1.2531E+01 H1 4718 1.008000 0.423800 3.4922E+00 1.7686E+01 1.2092E+01 H2 4719 1.008000 0.423800 1.9477E+00 1.7170E+01 1.2213E+01 O6 4720 15.999400 -0.847600 -1.2765E+01 1.3822E+01 -8.2956E+00 H1 4721 1.008000 0.423800 -1.3060E+01 1.4136E+01 -9.1984E+00 H2 4722 1.008000 0.423800 -1.3534E+01 1.3388E+01 -7.8266E+00 O6 4723 15.999400 -0.847600 -1.2232E+01 1.6684E+01 9.4269E-01 H1 4724 1.008000 0.423800 -1.2051E+01 1.5717E+01 7.6068E-01 H2 4725 1.008000 0.423800 -1.2877E+01 1.6765E+01 1.7019E+00 O6 4726 15.999400 -0.847600 1.8160E+01 -1.5970E+01 1.4687E+01 H1 4727 1.008000 0.423800 1.8676E+01 -1.6392E+01 1.3941E+01 H2 4728 1.008000 0.423800 1.7319E+01 -1.5568E+01 1.4324E+01 O6 4729 15.999400 -0.847600 -1.5142E+01 -1.1397E+00 1.4983E+01 H1 4730 1.008000 0.423800 -1.5072E+01 -6.3732E-01 1.5845E+01 H2 4731 1.008000 0.423800 -1.4304E+01 -1.0103E+00 1.4453E+01 O6 4732 15.999400 -0.847600 -1.8823E+01 9.4685E-01 -7.8003E+00 H1 4733 1.008000 0.423800 -1.8575E+01 1.3035E+00 -8.7012E+00 H2 4734 1.008000 0.423800 -1.8520E+01 1.5867E+00 -7.0940E+00 O6 4735 15.999400 -0.847600 1.5794E+01 -1.4856E-01 7.6771E+00 H1 4736 1.008000 0.423800 1.4932E+01 -6.4462E-01 7.5803E+00 H2 4737 1.008000 0.423800 1.6301E+01 -5.0991E-01 8.4602E+00 O6 4738 15.999400 -0.847600 -2.0252E+00 -1.9181E+01 1.0712E+01 H1 4739 1.008000 0.423800 -1.8788E+00 -1.8697E+01 1.1575E+01 H2 4740 1.008000 0.423800 -2.4341E+00 1.9023E+01 1.0897E+01 O6 4741 15.999400 -0.847600 1.3391E+01 1.1372E+01 -6.6467E+00 H1 4742 1.008000 0.423800 1.3958E+01 1.0574E+01 -6.8530E+00 H2 4743 1.008000 0.423800 1.3902E+01 1.2206E+01 -6.8537E+00 O6 4744 15.999400 -0.847600 1.1224E+01 -3.6857E+00 -3.2962E+00 H1 4745 1.008000 0.423800 1.0314E+01 -3.9375E+00 -3.6236E+00 H2 4746 1.008000 0.423800 1.1212E+01 -2.7399E+00 -2.9718E+00 O6 4747 15.999400 -0.847600 1.7380E+01 1.8573E+01 1.4132E+01 H1 4748 1.008000 0.423800 1.6754E+01 1.8613E+01 1.4911E+01 H2 4749 1.008000 0.423800 1.7567E+01 1.7618E+01 1.3902E+01 O6 4750 15.999400 -0.847600 8.5139E+00 1.8692E+01 -5.2237E+00 H1 4751 1.008000 0.423800 8.3496E+00 1.9437E+01 -4.5778E+00 H2 4752 1.008000 0.423800 9.4929E+00 1.8628E+01 -5.4173E+00 O6 4753 15.999400 -0.847600 -1.9361E+01 -1.8258E+01 5.3384E+00 H1 4754 1.008000 0.423800 -1.8567E+01 -1.7878E+01 5.8129E+00 H2 4755 1.008000 0.423800 1.8906E+01 -1.7805E+01 5.6628E+00 O6 4756 15.999400 -0.847600 -6.2253E+00 6.4316E+00 -4.0465E-01 H1 4757 1.008000 0.423800 -6.1720E+00 7.4281E+00 -4.7041E-01 H2 4758 1.008000 0.423800 -6.1117E+00 6.1540E+00 5.4929E-01 O6 4759 15.999400 -0.847600 5.6565E-01 6.3357E+00 -3.4996E+00 H1 4760 1.008000 0.423800 8.0963E-01 5.5218E+00 -2.9722E+00 H2 4761 1.008000 0.423800 -1.5941E-01 6.1069E+00 -4.1492E+00 O6 4762 15.999400 -0.847600 8.9187E+00 -1.3698E+01 1.4670E+01 H1 4763 1.008000 0.423800 8.3484E+00 -1.3976E+01 1.5443E+01 H2 4764 1.008000 0.423800 9.4907E+00 -1.4466E+01 1.4384E+01 O6 4765 15.999400 -0.847600 1.4436E+00 -2.3690E-01 -8.5694E+00 H1 4766 1.008000 0.423800 1.4693E+00 -5.8396E-02 -7.5858E+00 H2 4767 1.008000 0.423800 1.3815E+00 -1.2223E+00 -8.7278E+00 O6 4768 15.999400 -0.847600 -1.7208E+01 -2.8725E+00 -3.9180E+00 H1 4769 1.008000 0.423800 -1.7483E+01 -3.1005E+00 -2.9840E+00 H2 4770 1.008000 0.423800 -1.7904E+01 -3.1977E+00 -4.5589E+00 O6 4771 15.999400 -0.847600 -1.6444E+01 1.8336E+01 1.8310E+01 H1 4772 1.008000 0.423800 -1.6050E+01 1.8241E+01 1.9224E+01 H2 4773 1.008000 0.423800 -1.6967E+01 1.7515E+01 1.8085E+01 O6 4774 15.999400 -0.847600 -1.0563E+01 1.0675E+01 -3.2559E+00 H1 4775 1.008000 0.423800 -1.1252E+01 1.0945E+01 -3.9292E+00 H2 4776 1.008000 0.423800 -1.0976E+01 1.0658E+01 -2.3454E+00 O6 4777 15.999400 -0.847600 1.1226E+00 -3.7144E+00 7.0220E+00 H1 4778 1.008000 0.423800 1.8580E+00 -4.0733E+00 7.5968E+00 H2 4779 1.008000 0.423800 4.0895E-01 -3.3206E+00 7.6013E+00 O6 4780 15.999400 -0.847600 -1.6776E+01 -1.9014E+01 2.9493E+00 H1 4781 1.008000 0.423800 -1.6040E+01 -1.8508E+01 2.4986E+00 H2 4782 1.008000 0.423800 -1.6391E+01 1.9507E+01 3.6698E+00 O6 4783 15.999400 -0.847600 6.7427E+00 -6.7965E+00 8.6280E+00 H1 4784 1.008000 0.423800 6.3954E+00 -7.0190E+00 9.5390E+00 H2 4785 1.008000 0.423800 7.5243E+00 -7.3834E+00 8.4169E+00 O6 4786 15.999400 -0.847600 -6.8958E+00 -1.6496E+01 -2.1109E+00 H1 4787 1.008000 0.423800 -6.3335E+00 -1.5970E+01 -1.4729E+00 H2 4788 1.008000 0.423800 -7.0652E+00 -1.7406E+01 -1.7332E+00 O6 4789 15.999400 -0.847600 1.1224E+01 7.3976E+00 3.4149E+00 H1 4790 1.008000 0.423800 1.1942E+01 6.8895E+00 3.8911E+00 H2 4791 1.008000 0.423800 1.0645E+01 7.8632E+00 4.0843E+00 O6 4792 15.999400 -0.847600 3.6278E+00 -4.9119E+00 1.3665E+01 H1 4793 1.008000 0.423800 3.3851E+00 -5.8008E+00 1.4053E+01 H2 4794 1.008000 0.423800 3.8422E+00 -5.0197E+00 1.2694E+01 O6 4795 15.999400 -0.847600 -5.6109E+00 -1.4555E+01 -1.2479E+01 H1 4796 1.008000 0.423800 -5.6722E+00 -1.4327E+01 -1.1507E+01 H2 4797 1.008000 0.423800 -6.4460E+00 -1.5025E+01 -1.2765E+01 O6 4798 15.999400 -0.847600 -1.9468E+01 -5.2435E+00 1.8887E+01 H1 4799 1.008000 0.423800 -1.8843E+01 -4.5611E+00 1.9266E+01 H2 4800 1.008000 0.423800 -1.8965E+01 -5.8534E+00 1.8275E+01 O6 4801 15.999400 -0.847600 6.9285E+00 1.4280E+01 1.3275E+01 H1 4802 1.008000 0.423800 6.6054E+00 1.5165E+01 1.3609E+01 H2 4803 1.008000 0.423800 6.9497E+00 1.3625E+01 1.4031E+01 O6 4804 15.999400 -0.847600 8.9269E+00 -1.9217E+01 1.1979E+00 H1 4805 1.008000 0.423800 7.9448E+00 -1.9304E+01 1.3652E+00 H2 4806 1.008000 0.423800 9.2891E+00 1.9005E+01 8.7855E-01 O6 4807 15.999400 -0.847600 3.4755E+00 3.4199E+00 -1.6266E+01 H1 4808 1.008000 0.423800 3.2066E+00 3.6980E+00 -1.5343E+01 H2 4809 1.008000 0.423800 3.0315E+00 2.5539E+00 -1.6495E+01 O6 4810 15.999400 -0.847600 -1.6732E+01 7.7976E+00 9.2536E+00 H1 4811 1.008000 0.423800 -1.6068E+01 8.3544E+00 9.7524E+00 H2 4812 1.008000 0.423800 -1.7505E+01 8.3687E+00 8.9770E+00 O6 4813 15.999400 -0.847600 -1.5934E+01 1.1182E+01 9.5084E+00 H1 4814 1.008000 0.423800 -1.6807E+01 1.0768E+01 9.2504E+00 H2 4815 1.008000 0.423800 -1.6093E+01 1.2107E+01 9.8522E+00 O6 4816 15.999400 -0.847600 1.8406E+01 1.9072E+01 1.7374E+01 H1 4817 1.008000 0.423800 1.9301E+01 1.9479E+01 1.7555E+01 H2 4818 1.008000 0.423800 1.7770E+01 -1.9313E+01 1.7076E+01 O6 4819 15.999400 -0.847600 -1.4866E+01 -1.0289E+00 1.8252E+01 H1 4820 1.008000 0.423800 -1.4015E+01 -1.4806E+00 1.7982E+01 H2 4821 1.008000 0.423800 -1.5257E+01 -1.5004E+00 1.9042E+01 O6 4822 15.999400 -0.847600 -3.8675E+00 -1.9541E+01 1.8698E+00 H1 4823 1.008000 0.423800 -2.9001E+00 1.9304E+01 1.8811E+00 H2 4824 1.008000 0.423800 -4.3388E+00 1.9106E+01 2.6278E+00 O6 4825 15.999400 -0.847600 1.5591E+01 -9.6714E+00 -6.6801E+00 H1 4826 1.008000 0.423800 1.6012E+01 -8.8393E+00 -6.3188E+00 H2 4827 1.008000 0.423800 1.6057E+01 -1.0472E+01 -6.3024E+00 O6 4828 15.999400 -0.847600 6.8966E-01 9.0179E+00 -3.2616E+00 H1 4829 1.008000 0.423800 8.5879E-01 9.4669E+00 -2.3842E+00 H2 4830 1.008000 0.423800 5.0217E-01 8.0476E+00 -3.1087E+00 O6 4831 15.999400 -0.847600 1.3464E+01 -5.6094E+00 -1.6352E+01 H1 4832 1.008000 0.423800 1.3624E+01 -5.5485E+00 -1.5366E+01 H2 4833 1.008000 0.423800 1.2481E+01 -5.6264E+00 -1.6530E+01 O6 4834 15.999400 -0.847600 -1.0380E+01 -5.0149E+00 2.1293E+00 H1 4835 1.008000 0.423800 -1.1010E+01 -4.2445E+00 2.2261E+00 H2 4836 1.008000 0.423800 -9.4634E+00 -4.6718E+00 1.9251E+00 O6 4837 15.999400 -0.847600 1.8378E+01 7.4409E+00 3.3318E+00 H1 4838 1.008000 0.423800 1.8502E+01 6.7380E+00 4.0321E+00 H2 4839 1.008000 0.423800 1.7420E+01 7.7291E+00 3.3148E+00 O6 4840 15.999400 -0.847600 -1.2746E+01 -9.5091E+00 -8.3910E+00 H1 4841 1.008000 0.423800 -1.3660E+01 -9.5572E+00 -7.9872E+00 H2 4842 1.008000 0.423800 -1.2600E+01 -1.0304E+01 -8.9798E+00 O6 4843 15.999400 -0.847600 -2.9654E+00 1.1429E+01 -7.3194E+00 H1 4844 1.008000 0.423800 -3.2558E+00 1.2386E+01 -7.3455E+00 H2 4845 1.008000 0.423800 -3.6381E+00 1.0890E+01 -6.8123E+00 O6 4846 15.999400 -0.847600 6.0442E+00 1.6351E+01 -1.8359E+01 H1 4847 1.008000 0.423800 6.3867E+00 1.6431E+01 -1.9295E+01 H2 4848 1.008000 0.423800 5.0502E+00 1.6461E+01 -1.8357E+01 O6 4849 15.999400 -0.847600 1.4032E+01 -9.7717E+00 -1.2032E+01 H1 4850 1.008000 0.423800 1.4556E+01 -9.5198E+00 -1.1218E+01 H2 4851 1.008000 0.423800 1.4202E+01 -9.1046E+00 -1.2757E+01 O6 4852 15.999400 -0.847600 -4.2958E+00 -1.3099E+01 1.7256E+01 H1 4853 1.008000 0.423800 -4.0204E+00 -1.4052E+01 1.7132E+01 H2 4854 1.008000 0.423800 -4.4454E+00 -1.2919E+01 1.8229E+01 O6 4855 15.999400 -0.847600 1.8971E+01 6.1311E+00 5.8444E+00 H1 4856 1.008000 0.423800 1.8776E+01 5.1507E+00 5.8723E+00 H2 4857 1.008000 0.423800 -1.9137E+01 6.2738E+00 5.8238E+00 O6 4858 15.999400 -0.847600 5.9743E+00 1.3788E+01 9.2942E+00 H1 4859 1.008000 0.423800 6.8948E+00 1.4163E+01 9.1816E+00 H2 4860 1.008000 0.423800 6.0361E+00 1.2836E+01 9.5923E+00 O6 4861 15.999400 -0.847600 -1.7999E+01 -4.8272E+00 1.4481E+01 H1 4862 1.008000 0.423800 -1.7004E+01 -4.8607E+00 1.4387E+01 H2 4863 1.008000 0.423800 -1.8398E+01 -4.4158E+00 1.3661E+01 O6 4864 15.999400 -0.847600 1.6468E+01 -3.2771E+00 5.0742E+00 H1 4865 1.008000 0.423800 1.5748E+01 -3.2427E+00 5.7673E+00 H2 4866 1.008000 0.423800 1.6876E+01 -4.1900E+00 5.0625E+00 O6 4867 15.999400 -0.847600 1.2510E+01 -5.2402E+00 -1.4638E+00 H1 4868 1.008000 0.423800 1.2472E+01 -6.0790E+00 -2.0071E+00 H2 4869 1.008000 0.423800 1.2083E+01 -4.4933E+00 -1.9737E+00 O6 4870 15.999400 -0.847600 1.7773E+01 -7.3206E+00 1.9293E+01 H1 4871 1.008000 0.423800 1.8385E+01 -8.0433E+00 -1.9482E+01 H2 4872 1.008000 0.423800 1.8274E+01 -6.4565E+00 1.9246E+01 O6 4873 15.999400 -0.847600 -1.6833E+01 1.6153E+01 4.3529E+00 H1 4874 1.008000 0.423800 -1.5926E+01 1.5735E+01 4.4022E+00 H2 4875 1.008000 0.423800 -1.6781E+01 1.7100E+01 4.6721E+00 O6 4876 15.999400 -0.847600 -9.5709E-01 -1.5511E+01 1.8303E+01 H1 4877 1.008000 0.423800 -1.2657E+00 -1.5641E+01 1.9245E+01 H2 4878 1.008000 0.423800 -2.1385E-01 -1.4842E+01 1.8285E+01 O6 4879 15.999400 -0.847600 -1.3057E+01 -1.0643E+01 1.9421E+01 H1 4880 1.008000 0.423800 -1.3063E+01 -1.0888E+01 1.8452E+01 H2 4881 1.008000 0.423800 -1.2904E+01 -9.6598E+00 1.9516E+01 O6 4882 15.999400 -0.847600 -1.8353E+01 2.1180E-01 6.3171E+00 H1 4883 1.008000 0.423800 -1.7687E+01 -4.3575E-01 5.9466E+00 H2 4884 1.008000 0.423800 -1.8548E+01 9.1564E-01 5.6343E+00 O6 4885 15.999400 -0.847600 -9.8983E+00 -1.8455E+01 -1.5625E+01 H1 4886 1.008000 0.423800 -1.0717E+01 -1.8603E+01 -1.5070E+01 H2 4887 1.008000 0.423800 -9.1015E+00 -1.8830E+01 -1.5152E+01 O6 4888 15.999400 -0.847600 1.4097E+01 -7.3699E+00 -2.7350E+00 H1 4889 1.008000 0.423800 1.5069E+01 -7.2306E+00 -2.5487E+00 H2 4890 1.008000 0.423800 1.3985E+01 -7.7625E+00 -3.6479E+00 O6 4891 15.999400 -0.847600 -1.0646E+01 -7.7336E+00 1.8105E+00 H1 4892 1.008000 0.423800 -1.1127E+01 -7.6436E+00 9.3891E-01 H2 4893 1.008000 0.423800 -1.0540E+01 -6.8311E+00 2.2280E+00 O6 4894 15.999400 -0.847600 5.3454E+00 -3.9342E+00 -1.7010E+01 H1 4895 1.008000 0.423800 6.0530E+00 -4.5245E+00 -1.7399E+01 H2 4896 1.008000 0.423800 5.4596E+00 -3.0038E+00 -1.7359E+01 O6 4897 15.999400 -0.847600 1.1246E+01 1.7524E+01 -2.9164E+00 H1 4898 1.008000 0.423800 1.2068E+01 1.7703E+01 -3.4568E+00 H2 4899 1.008000 0.423800 1.1195E+01 1.8177E+01 -2.1612E+00 O6 4900 15.999400 -0.847600 1.4678E+00 -1.8028E+01 1.0005E+01 H1 4901 1.008000 0.423800 6.8636E-01 -1.8527E+01 1.0379E+01 H2 4902 1.008000 0.423800 2.2618E+00 -1.8158E+01 1.0599E+01 O6 4903 15.999400 -0.847600 -1.2605E-01 1.7037E+01 -1.4501E+01 H1 4904 1.008000 0.423800 -4.5550E-01 1.7122E+01 -1.5441E+01 H2 4905 1.008000 0.423800 6.4626E-01 1.7656E+01 -1.4361E+01 O6 4906 15.999400 -0.847600 -1.0206E+01 -8.9552E+00 -6.4445E-01 H1 4907 1.008000 0.423800 -1.0071E+01 -8.9331E+00 3.4628E-01 H2 4908 1.008000 0.423800 -9.6960E+00 -9.7230E+00 -1.0327E+00 O6 4909 15.999400 -0.847600 -3.6206E-01 -7.1217E+00 -7.3959E+00 H1 4910 1.008000 0.423800 -9.5764E-01 -6.6775E+00 -8.0652E+00 H2 4911 1.008000 0.423800 -9.2033E-01 -7.6119E+00 -6.7266E+00 O6 4912 15.999400 -0.847600 3.4132E+00 -1.1381E+01 1.3493E+01 H1 4913 1.008000 0.423800 3.9694E+00 -1.0654E+01 1.3896E+01 H2 4914 1.008000 0.423800 3.3558E+00 -1.1247E+01 1.2504E+01 O6 4915 15.999400 -0.847600 2.5008E+00 4.2740E+00 -1.4072E+01 H1 4916 1.008000 0.423800 3.2262E+00 3.7400E+00 -1.3637E+01 H2 4917 1.008000 0.423800 1.8092E+00 4.5130E+00 -1.3390E+01 O6 4918 15.999400 -0.847600 -4.8195E+00 -1.3105E+01 -6.2557E-01 H1 4919 1.008000 0.423800 -4.5337E+00 -1.4054E+01 -7.5630E-01 H2 4920 1.008000 0.423800 -5.7497E+00 -1.3084E+01 -2.5924E-01 O6 4921 15.999400 -0.847600 -1.9385E+01 -1.4714E+01 3.4341E-01 H1 4922 1.008000 0.423800 -1.9087E+01 -1.4165E+01 1.1245E+00 H2 4923 1.008000 0.423800 -1.8586E+01 -1.5106E+01 -1.1191E-01 O6 4924 15.999400 -0.847600 -1.8766E+01 -9.0451E+00 1.3403E+01 H1 4925 1.008000 0.423800 -1.7911E+01 -8.5641E+00 1.3209E+01 H2 4926 1.008000 0.423800 -1.8845E+01 -9.2007E+00 1.4387E+01 O6 4927 15.999400 -0.847600 -5.5201E+00 5.1708E+00 2.1145E+00 H1 4928 1.008000 0.423800 -5.4351E+00 4.2296E+00 1.7874E+00 H2 4929 1.008000 0.423800 -6.0294E+00 5.1798E+00 2.9750E+00 O6 4930 15.999400 -0.847600 1.0937E+01 7.0333E+00 9.8196E+00 H1 4931 1.008000 0.423800 1.1860E+01 7.3826E+00 9.6552E+00 H2 4932 1.008000 0.423800 1.0932E+01 6.4866E+00 1.0657E+01 O6 4933 15.999400 -0.847600 -6.4167E+00 -1.8698E+01 8.0569E+00 H1 4934 1.008000 0.423800 -6.5213E+00 -1.9534E+01 8.5958E+00 H2 4935 1.008000 0.423800 -7.2976E+00 -1.8449E+01 7.6546E+00 O6 4936 15.999400 -0.847600 -1.4456E+01 -1.9289E+01 1.7374E+01 H1 4937 1.008000 0.423800 -1.5235E+01 1.9271E+01 1.7695E+01 H2 4938 1.008000 0.423800 -1.3711E+01 -1.9351E+01 1.8038E+01 O6 4939 15.999400 -0.847600 4.4283E+00 1.4179E+01 -1.2803E+01 H1 4940 1.008000 0.423800 5.4058E+00 1.4358E+01 -1.2690E+01 H2 4941 1.008000 0.423800 4.1294E+00 1.4514E+01 -1.3697E+01 O6 4942 15.999400 -0.847600 6.5292E+00 -8.2801E+00 1.1009E+01 H1 4943 1.008000 0.423800 7.0289E+00 -8.9912E+00 1.1504E+01 H2 4944 1.008000 0.423800 5.5461E+00 -8.4245E+00 1.1121E+01 O6 4945 15.999400 -0.847600 1.1345E+01 -1.0099E+01 4.3630E+00 H1 4946 1.008000 0.423800 1.1351E+01 -9.3902E+00 3.6575E+00 H2 4947 1.008000 0.423800 1.0777E+01 -1.0865E+01 4.0612E+00 O6 4948 15.999400 -0.847600 1.7649E-01 -5.1476E+00 4.9219E+00 H1 4949 1.008000 0.423800 -7.8727E-01 -4.8861E+00 4.9754E+00 H2 4950 1.008000 0.423800 6.7926E-01 -4.7229E+00 5.6748E+00 O6 4951 15.999400 -0.847600 -1.7423E+01 -1.6759E+01 1.6619E+01 H1 4952 1.008000 0.423800 -1.7167E+01 -1.5970E+01 1.6061E+01 H2 4953 1.008000 0.423800 -1.7496E+01 -1.7569E+01 1.6037E+01 O6 4954 15.999400 -0.847600 -1.4163E+01 -7.7864E+00 2.3929E+00 H1 4955 1.008000 0.423800 -1.4151E+01 -7.6296E+00 1.4053E+00 H2 4956 1.008000 0.423800 -1.3674E+01 -8.6337E+00 2.6015E+00 O6 4957 15.999400 -0.847600 -1.3606E+01 -1.7624E+01 1.5565E+01 H1 4958 1.008000 0.423800 -1.3920E+01 -1.8086E+01 1.6394E+01 H2 4959 1.008000 0.423800 -1.3053E+01 -1.6830E+01 1.5816E+01 O6 4960 15.999400 -0.847600 -5.4153E+00 6.3544E+00 1.4301E+01 H1 4961 1.008000 0.423800 -5.3063E+00 5.4007E+00 1.4020E+01 H2 4962 1.008000 0.423800 -6.0351E+00 6.4025E+00 1.5084E+01 O6 4963 15.999400 -0.847600 7.6637E+00 -1.6952E+01 4.2634E+00 H1 4964 1.008000 0.423800 7.5743E+00 -1.6458E+01 3.3981E+00 H2 4965 1.008000 0.423800 7.8191E+00 -1.6299E+01 5.0047E+00 O6 4966 15.999400 -0.847600 2.7308E+00 -1.7446E+01 -1.0488E+01 H1 4967 1.008000 0.423800 3.5579E+00 -1.7979E+01 -1.0309E+01 H2 4968 1.008000 0.423800 2.5922E+00 -1.7368E+01 -1.1475E+01 O6 4969 15.999400 -0.847600 1.0591E+01 -1.8022E+01 -9.8766E+00 H1 4970 1.008000 0.423800 1.0489E+01 -1.8107E+01 -1.0868E+01 H2 4971 1.008000 0.423800 1.0355E+01 -1.8890E+01 -9.4414E+00 O6 4972 15.999400 -0.847600 1.3041E+01 -1.7686E+01 -5.4956E+00 H1 4973 1.008000 0.423800 1.3698E+01 -1.8199E+01 -4.9439E+00 H2 4974 1.008000 0.423800 1.2228E+01 -1.7489E+01 -4.9477E+00 O6 4975 15.999400 -0.847600 -4.4073E+00 3.4316E+00 -1.4043E+01 H1 4976 1.008000 0.423800 -5.1510E+00 2.9189E+00 -1.4472E+01 H2 4977 1.008000 0.423800 -4.4931E+00 4.4005E+00 -1.4275E+01 O6 4978 15.999400 -0.847600 -1.4986E+01 2.3418E+00 -1.3021E+01 H1 4979 1.008000 0.423800 -1.5714E+01 2.9771E+00 -1.3277E+01 H2 4980 1.008000 0.423800 -1.5066E+01 1.5061E+00 -1.3564E+01 O6 4981 15.999400 -0.847600 -1.9487E+01 3.8316E+00 -1.8821E+01 H1 4982 1.008000 0.423800 1.9130E+01 3.0276E+00 -1.8470E+01 H2 4983 1.008000 0.423800 1.9333E+01 4.6391E+00 -1.8300E+01 O6 4984 15.999400 -0.847600 9.6252E+00 -1.6269E+00 -1.7628E+01 H1 4985 1.008000 0.423800 1.0208E+01 -2.2447E+00 -1.7100E+01 H2 4986 1.008000 0.423800 9.1485E+00 -2.1445E+00 -1.8338E+01 O6 4987 15.999400 -0.847600 -4.6295E+00 1.0516E-01 -8.3641E+00 H1 4988 1.008000 0.423800 -5.4948E+00 1.9347E-01 -8.8575E+00 H2 4989 1.008000 0.423800 -3.8710E+00 1.2419E-01 -9.0154E+00 O6 4990 15.999400 -0.847600 -1.1129E+01 -1.8782E+01 -1.0661E+01 H1 4991 1.008000 0.423800 -1.1605E+01 -1.8629E+01 -9.7951E+00 H2 4992 1.008000 0.423800 -1.1504E+01 1.9504E+01 -1.1109E+01 O6 4993 15.999400 -0.847600 -1.7063E+01 -6.8510E-01 1.0327E+01 H1 4994 1.008000 0.423800 -1.7073E+01 -7.5503E-01 1.1325E+01 H2 4995 1.008000 0.423800 -1.7800E+01 -7.9664E-02 1.0028E+01 O6 4996 15.999400 -0.847600 -7.2568E+00 -1.0102E+01 7.3294E-01 H1 4997 1.008000 0.423800 -7.0240E+00 -1.1074E+01 7.6610E-01 H2 4998 1.008000 0.423800 -7.6921E+00 -9.8343E+00 1.5924E+00 O6 4999 15.999400 -0.847600 -3.5353E+00 -1.8354E+01 1.5120E+01 H1 5000 1.008000 0.423800 -3.0882E+00 -1.8509E+01 1.6001E+01 H2 5001 1.008000 0.423800 -4.4077E+00 -1.8843E+01 1.5099E+01 O6 5002 15.999400 -0.847600 4.8943E+00 1.5740E+01 1.5538E+01 H1 5003 1.008000 0.423800 4.1246E+00 1.5206E+01 1.5189E+01 H2 5004 1.008000 0.423800 4.8161E+00 1.5827E+01 1.6532E+01 O6 5005 15.999400 -0.847600 -1.1502E+01 -1.3583E+01 9.2627E+00 H1 5006 1.008000 0.423800 -1.1712E+01 -1.3836E+01 8.3184E+00 H2 5007 1.008000 0.423800 -1.1891E+01 -1.4262E+01 9.8846E+00 O6 5008 15.999400 -0.847600 6.5243E+00 -1.8368E+01 7.3728E+00 H1 5009 1.008000 0.423800 7.4741E+00 -1.8178E+01 7.1241E+00 H2 5010 1.008000 0.423800 6.4402E+00 -1.8398E+01 8.3688E+00 O6 5011 15.999400 -0.847600 1.9168E+01 -1.1775E+01 -1.2805E+01 H1 5012 1.008000 0.423800 -1.9093E+01 -1.1560E+01 -1.2301E+01 H2 5013 1.008000 0.423800 1.8723E+01 -1.0926E+01 -1.3089E+01 O6 5014 15.999400 -0.847600 -1.3032E+01 1.6738E+01 1.8980E+01 H1 5015 1.008000 0.423800 -1.3696E+01 1.6089E+01 1.8610E+01 H2 5016 1.008000 0.423800 -1.3469E+01 1.7295E+01 -1.9410E+01 O6 5017 15.999400 -0.847600 7.9023E+00 -1.6499E+00 8.5835E+00 H1 5018 1.008000 0.423800 7.9930E+00 -8.5844E-01 7.9789E+00 H2 5019 1.008000 0.423800 7.3646E+00 -1.3954E+00 9.3873E+00 O6 5020 15.999400 -0.847600 -1.4373E+01 1.8950E+00 1.4535E+01 H1 5021 1.008000 0.423800 -1.3516E+01 1.4883E+00 1.4218E+01 H2 5022 1.008000 0.423800 -1.4213E+01 2.3843E+00 1.5392E+01 O6 5023 15.999400 -0.847600 -1.3153E+01 -7.6409E+00 1.7404E+01 H1 5024 1.008000 0.423800 -1.3695E+01 -7.6384E+00 1.6564E+01 H2 5025 1.008000 0.423800 -1.2659E+01 -6.7753E+00 1.7484E+01 O6 5026 15.999400 -0.847600 1.6905E+01 -1.9442E+01 -1.8310E+01 H1 5027 1.008000 0.423800 1.7570E+01 -1.8836E+01 -1.8746E+01 H2 5028 1.008000 0.423800 1.6052E+01 -1.9433E+01 -1.8832E+01 O6 5029 15.999400 -0.847600 -2.5965E+00 -6.7391E+00 5.9800E+00 H1 5030 1.008000 0.423800 -2.3003E+00 -7.5949E+00 5.5558E+00 H2 5031 1.008000 0.423800 -2.4845E+00 -5.9883E+00 5.3291E+00 O6 5032 15.999400 -0.847600 1.5648E+01 1.1113E+01 9.5985E+00 H1 5033 1.008000 0.423800 1.6218E+01 1.0527E+01 1.0175E+01 H2 5034 1.008000 0.423800 1.6196E+01 1.1877E+01 9.2563E+00 O6 5035 15.999400 -0.847600 1.0908E+01 -1.0153E+01 -4.0020E+00 H1 5036 1.008000 0.423800 1.0908E+01 -1.1124E+01 -3.7610E+00 H2 5037 1.008000 0.423800 1.1119E+01 -1.0052E+01 -4.9742E+00 O6 5038 15.999400 -0.847600 5.3824E+00 -1.3217E+01 -8.3147E-01 H1 5039 1.008000 0.423800 4.6891E+00 -1.3429E+01 -1.4268E-01 H2 5040 1.008000 0.423800 5.2210E+00 -1.3771E+01 -1.6482E+00 O6 5041 15.999400 -0.847600 7.5636E+00 2.5155E+00 -8.0292E+00 H1 5042 1.008000 0.423800 6.7867E+00 2.9232E+00 -7.5494E+00 H2 5043 1.008000 0.423800 7.8034E+00 3.0825E+00 -8.8172E+00 O6 5044 15.999400 -0.847600 1.8738E+00 1.2907E+01 1.6260E+01 H1 5045 1.008000 0.423800 1.8622E+00 1.3677E+01 1.5621E+01 H2 5046 1.008000 0.423800 1.7930E+00 1.3250E+01 1.7196E+01 O6 5047 15.999400 -0.847600 1.9137E+01 -8.7579E+00 -7.3792E+00 H1 5048 1.008000 0.423800 1.8456E+01 -8.0991E+00 -7.0607E+00 H2 5049 1.008000 0.423800 1.9531E+01 -9.2356E+00 -6.5941E+00 O6 5050 15.999400 -0.847600 -8.8543E+00 4.2078E+00 1.6701E+01 H1 5051 1.008000 0.423800 -9.6071E+00 3.7070E+00 1.7128E+01 H2 5052 1.008000 0.423800 -8.0013E+00 3.7025E+00 1.6832E+01 O6 5053 15.999400 -0.847600 -1.4625E+01 -1.8356E+01 1.2409E+00 H1 5054 1.008000 0.423800 -1.4326E+01 -1.9081E+01 6.2128E-01 H2 5055 1.008000 0.423800 -1.4907E+01 -1.7558E+01 7.0814E-01 O6 5056 15.999400 -0.847600 1.6406E+01 5.3422E+00 -3.6861E+00 H1 5057 1.008000 0.423800 1.7207E+01 5.2881E+00 -3.0898E+00 H2 5058 1.008000 0.423800 1.6136E+01 4.4209E+00 -3.9667E+00 O6 5059 15.999400 -0.847600 8.9950E-01 1.0392E+01 -5.5067E+00 H1 5060 1.008000 0.423800 6.4353E-01 9.8439E+00 -4.7102E+00 H2 5061 1.008000 0.423800 2.5787E-01 1.0215E+01 -6.2530E+00 O6 5062 15.999400 -0.847600 8.8329E+00 1.4139E+01 1.1225E+01 H1 5063 1.008000 0.423800 9.3920E+00 1.4967E+01 1.1179E+01 H2 5064 1.008000 0.423800 8.1509E+00 1.4238E+01 1.1949E+01 O6 5065 15.999400 -0.847600 1.2887E+01 1.2352E+01 2.2638E+00 H1 5066 1.008000 0.423800 1.1889E+01 1.2293E+01 2.2714E+00 H2 5067 1.008000 0.423800 1.3263E+01 1.1587E+01 1.7410E+00 O6 5068 15.999400 -0.847600 -1.2199E+01 1.3115E+01 -2.2680E+00 H1 5069 1.008000 0.423800 -1.2652E+01 1.2377E+01 -1.7680E+00 H2 5070 1.008000 0.423800 -1.2207E+01 1.2909E+01 -3.2464E+00 O6 5071 15.999400 -0.847600 -1.3068E+01 7.6104E+00 9.1542E+00 H1 5072 1.008000 0.423800 -1.3356E+01 7.6428E+00 8.1969E+00 H2 5073 1.008000 0.423800 -1.3650E+01 8.2162E+00 9.6974E+00 O6 5074 15.999400 -0.847600 9.0207E+00 -9.6774E+00 1.5882E+01 H1 5075 1.008000 0.423800 9.5878E+00 -1.0283E+01 1.5324E+01 H2 5076 1.008000 0.423800 8.3929E+00 -9.1706E+00 1.5291E+01 O6 5077 15.999400 -0.847600 7.9157E+00 -1.4662E+01 1.0591E+01 H1 5078 1.008000 0.423800 8.1905E+00 -1.4078E+01 9.8267E+00 H2 5079 1.008000 0.423800 7.0302E+00 -1.5080E+01 1.0389E+01 O6 5080 15.999400 -0.847600 -1.3543E+01 -1.3361E+01 1.3480E+01 H1 5081 1.008000 0.423800 -1.2609E+01 -1.3626E+01 1.3240E+01 H2 5082 1.008000 0.423800 -1.4148E+01 -1.3529E+01 1.2702E+01 O6 5083 15.999400 -0.847600 -1.5372E+01 -2.0219E+00 -1.7960E+01 H1 5084 1.008000 0.423800 -1.4840E+01 -2.8683E+00 -1.7948E+01 H2 5085 1.008000 0.423800 -1.6292E+01 -2.2118E+00 -1.8303E+01 O6 5086 15.999400 -0.847600 -1.5060E+01 -1.3212E+01 -1.9117E+00 H1 5087 1.008000 0.423800 -1.4565E+01 -1.3604E+01 -2.6864E+00 H2 5088 1.008000 0.423800 -1.5957E+01 -1.2892E+01 -2.2174E+00 O6 5089 15.999400 -0.847600 -1.9007E+01 -2.0704E+00 1.7182E+01 H1 5090 1.008000 0.423800 -1.9343E+01 -2.3848E+00 1.6293E+01 H2 5091 1.008000 0.423800 1.9328E+01 -1.7016E+00 1.7714E+01 O6 5092 15.999400 -0.847600 1.8756E+01 -1.1696E+01 9.4863E+00 H1 5093 1.008000 0.423800 -1.9411E+01 -1.1717E+01 9.1197E+00 H2 5094 1.008000 0.423800 1.8788E+01 -1.1480E+01 1.0462E+01 O6 5095 15.999400 -0.847600 -1.2503E+00 -5.4420E+00 1.6341E+01 H1 5096 1.008000 0.423800 -1.7737E+00 -5.6852E+00 1.5525E+01 H2 5097 1.008000 0.423800 -1.7178E+00 -4.7051E+00 1.6830E+01 O6 5098 15.999400 -0.847600 6.5154E+00 -1.8088E+01 -1.0795E+00 H1 5099 1.008000 0.423800 6.1407E+00 -1.8641E+01 -3.3525E-01 H2 5100 1.008000 0.423800 6.8106E+00 -1.7202E+01 -7.2080E-01 O6 5101 15.999400 -0.847600 3.8829E+00 -7.9152E+00 -1.6278E+01 H1 5102 1.008000 0.423800 4.7052E+00 -7.8142E+00 -1.5718E+01 H2 5103 1.008000 0.423800 4.1447E+00 -8.1326E+00 -1.7218E+01 O6 5104 15.999400 -0.847600 1.4364E+01 -1.5440E+01 -9.3167E+00 H1 5105 1.008000 0.423800 1.4180E+01 -1.6356E+01 -8.9605E+00 H2 5106 1.008000 0.423800 1.5052E+01 -1.5496E+01 -1.0040E+01 O6 5107 15.999400 -0.847600 -8.9645E-02 5.7914E+00 -9.5759E+00 H1 5108 1.008000 0.423800 5.4975E-01 6.4436E+00 -9.9831E+00 H2 5109 1.008000 0.423800 3.2163E-01 4.8799E+00 -9.5717E+00 O6 5110 15.999400 -0.847600 -1.2399E+00 1.4188E+01 -7.0348E+00 H1 5111 1.008000 0.423800 -1.4055E+00 1.5080E+01 -6.6150E+00 H2 5112 1.008000 0.423800 -5.8387E-01 1.3676E+01 -6.4807E+00 O6 5113 15.999400 -0.847600 1.2949E+01 -1.6004E+01 -1.3366E+01 H1 5114 1.008000 0.423800 1.1997E+01 -1.5735E+01 -1.3222E+01 H2 5115 1.008000 0.423800 1.3303E+01 -1.6436E+01 -1.2537E+01 O6 5116 15.999400 -0.847600 3.4057E+00 1.1920E+01 1.1554E+01 H1 5117 1.008000 0.423800 3.8448E+00 1.2726E+01 1.1951E+01 H2 5118 1.008000 0.423800 2.5269E+00 1.2182E+01 1.1155E+01 O6 5119 15.999400 -0.847600 1.2396E+01 -4.6682E+00 -1.3525E+01 H1 5120 1.008000 0.423800 1.1670E+01 -3.9864E+00 -1.3617E+01 H2 5121 1.008000 0.423800 1.2058E+01 -5.4450E+00 -1.2993E+01 O6 5122 15.999400 -0.847600 -2.6581E+00 1.7041E+01 2.9661E-01 H1 5123 1.008000 0.423800 -1.9242E+00 1.6792E+01 -3.3537E-01 H2 5124 1.008000 0.423800 -3.4616E+00 1.7331E+01 -2.2336E-01 O6 5125 15.999400 -0.847600 2.4616E+00 -5.5881E+00 3.5257E+00 H1 5126 1.008000 0.423800 2.3194E+00 -5.7225E+00 2.5451E+00 H2 5127 1.008000 0.423800 1.6073E+00 -5.2848E+00 3.9479E+00 O6 5128 15.999400 -0.847600 1.7980E+00 2.9357E-01 -5.8209E+00 H1 5129 1.008000 0.423800 2.1523E+00 -6.1619E-01 -5.6045E+00 H2 5130 1.008000 0.423800 1.9138E+00 8.9332E-01 -5.0291E+00 O6 5131 15.999400 -0.847600 -4.1031E+00 -1.0353E+00 1.3349E+01 H1 5132 1.008000 0.423800 -3.4452E+00 -1.7268E+00 1.3050E+01 H2 5133 1.008000 0.423800 -4.9105E+00 -1.4858E+00 1.3729E+01 O6 5134 15.999400 -0.847600 1.2518E+01 -1.8123E+01 1.0629E+01 H1 5135 1.008000 0.423800 1.1648E+01 -1.7738E+01 1.0938E+01 H2 5136 1.008000 0.423800 1.2817E+01 -1.7650E+01 9.8010E+00 O6 5137 15.999400 -0.847600 -6.4518E-01 1.7247E+01 -2.0644E+00 H1 5138 1.008000 0.423800 -1.0292E+00 1.7987E+01 -2.6164E+00 H2 5139 1.008000 0.423800 -3.0354E-01 1.6525E+01 -2.6663E+00 O6 5140 15.999400 -0.847600 1.2301E+01 -1.0417E+01 -9.3607E+00 H1 5141 1.008000 0.423800 1.2223E+01 -1.1404E+01 -9.5034E+00 H2 5142 1.008000 0.423800 1.3250E+01 -1.0134E+01 -9.5026E+00 O6 5143 15.999400 -0.847600 3.3162E+00 -1.4219E+01 -5.0949E+00 H1 5144 1.008000 0.423800 3.8513E+00 -1.3621E+01 -5.6918E+00 H2 5145 1.008000 0.423800 3.3489E+00 -1.5155E+01 -5.4448E+00 O6 5146 15.999400 -0.847600 -8.1034E+00 1.2277E+01 -3.5493E+00 H1 5147 1.008000 0.423800 -7.4226E+00 1.1989E+01 -2.8756E+00 H2 5148 1.008000 0.423800 -8.9596E+00 1.1786E+01 -3.3883E+00 O6 5149 15.999400 -0.847600 2.1031E+00 1.0191E+01 -1.5396E+01 H1 5150 1.008000 0.423800 1.6658E+00 9.4462E+00 -1.5901E+01 H2 5151 1.008000 0.423800 3.0939E+00 1.0056E+01 -1.5396E+01 O6 5152 15.999400 -0.847600 -1.6438E+01 8.3121E+00 -1.8979E+00 H1 5153 1.008000 0.423800 -1.5533E+01 8.6066E+00 -1.5905E+00 H2 5154 1.008000 0.423800 -1.6400E+01 7.3518E+00 -2.1744E+00 O6 5155 15.999400 -0.847600 -1.6681E+01 1.3487E+01 -1.3549E+01 H1 5156 1.008000 0.423800 -1.6596E+01 1.2973E+01 -1.4402E+01 H2 5157 1.008000 0.423800 -1.5956E+01 1.4175E+01 -1.3501E+01 O6 5158 15.999400 -0.847600 1.4137E+01 2.9859E+00 1.8947E+01 H1 5159 1.008000 0.423800 1.4473E+01 2.4505E+00 -1.9375E+01 H2 5160 1.008000 0.423800 1.4301E+01 2.4831E+00 1.8099E+01 O6 5161 15.999400 -0.847600 4.8081E-01 1.2167E+01 -1.4862E+01 H1 5162 1.008000 0.423800 1.0849E+00 1.1409E+01 -1.5107E+01 H2 5163 1.008000 0.423800 6.9046E-01 1.2959E+01 -1.5436E+01 O6 5164 15.999400 -0.847600 -6.0107E+00 1.7892E+01 9.2559E+00 H1 5165 1.008000 0.423800 -5.3591E+00 1.7387E+01 9.8215E+00 H2 5166 1.008000 0.423800 -6.2125E+00 1.7367E+01 8.4294E+00 O6 5167 15.999400 -0.847600 -1.7576E+00 -1.2183E+01 8.0724E+00 H1 5168 1.008000 0.423800 -1.5856E+00 -1.3168E+01 8.0549E+00 H2 5169 1.008000 0.423800 -1.1293E+00 -1.1724E+01 7.4444E+00 O6 5170 15.999400 -0.847600 -1.0165E+01 1.8772E+01 1.3455E+01 H1 5171 1.008000 0.423800 -1.0787E+01 1.9496E+01 1.3154E+01 H2 5172 1.008000 0.423800 -9.2434E+00 1.8963E+01 1.3116E+01 O6 5173 15.999400 -0.847600 -7.8112E+00 1.8850E+01 -1.4447E+01 H1 5174 1.008000 0.423800 -7.3013E+00 1.8966E+01 -1.3594E+01 H2 5175 1.008000 0.423800 -7.2490E+00 1.8351E+01 -1.5106E+01 O6 5176 15.999400 -0.847600 1.4835E+00 1.9246E+01 -1.5233E+01 H1 5177 1.008000 0.423800 2.4829E+00 1.9240E+01 -1.5198E+01 H2 5178 1.008000 0.423800 1.1836E+00 1.9252E+01 -1.6187E+01 O6 5179 15.999400 -0.847600 2.8797E+00 9.7680E+00 5.1587E+00 H1 5180 1.008000 0.423800 2.4219E+00 8.8877E+00 5.0343E+00 H2 5181 1.008000 0.423800 2.6392E+00 1.0378E+01 4.4041E+00 O6 5182 15.999400 -0.847600 9.7788E+00 3.2062E+00 1.2831E+01 H1 5183 1.008000 0.423800 9.9278E+00 2.3854E+00 1.3382E+01 H2 5184 1.008000 0.423800 9.5584E+00 2.9414E+00 1.1892E+01 O6 5185 15.999400 -0.847600 -1.2731E+01 -6.6308E+00 -9.1511E+00 H1 5186 1.008000 0.423800 -1.3352E+01 -6.4385E+00 -9.9111E+00 H2 5187 1.008000 0.423800 -1.2815E+01 -7.5917E+00 -8.8871E+00 O6 5188 15.999400 -0.847600 -1.7497E+01 -2.6850E+00 2.0489E+00 H1 5189 1.008000 0.423800 -1.6784E+01 -3.0694E+00 2.6359E+00 H2 5190 1.008000 0.423800 -1.7097E+01 -2.4165E+00 1.1723E+00 O6 5191 15.999400 -0.847600 4.6930E+00 -3.9527E+00 3.5140E+00 H1 5192 1.008000 0.423800 3.8502E+00 -4.4665E+00 3.6742E+00 H2 5193 1.008000 0.423800 4.7235E+00 -3.6512E+00 2.5611E+00 O6 5194 15.999400 -0.847600 9.8193E+00 7.5264E+00 1.3209E+01 H1 5195 1.008000 0.423800 9.6847E+00 6.9534E+00 1.2400E+01 H2 5196 1.008000 0.423800 9.0545E+00 7.3971E+00 1.3840E+01 O6 5197 15.999400 -0.847600 -9.7170E+00 9.1696E+00 -1.9114E+01 H1 5198 1.008000 0.423800 -1.0509E+01 8.6147E+00 -1.8860E+01 H2 5199 1.008000 0.423800 -9.5510E+00 9.8565E+00 -1.8406E+01 O6 5200 15.999400 -0.847600 1.8169E+01 -1.4366E+01 8.3060E+00 H1 5201 1.008000 0.423800 1.8478E+01 -1.3501E+01 8.7017E+00 H2 5202 1.008000 0.423800 1.7411E+01 -1.4728E+01 8.8482E+00 O6 5203 15.999400 -0.847600 9.0542E+00 1.9250E+01 -1.6621E+01 H1 5204 1.008000 0.423800 8.5998E+00 -1.9322E+01 -1.7340E+01 H2 5205 1.008000 0.423800 8.7636E+00 1.8294E+01 -1.6672E+01 O6 5206 15.999400 -0.847600 7.2925E+00 -1.2978E+01 1.2663E+01 H1 5207 1.008000 0.423800 7.5788E+00 -1.3544E+01 1.1890E+01 H2 5208 1.008000 0.423800 7.6966E+00 -1.3335E+01 1.3505E+01 O6 5209 15.999400 -0.847600 1.5762E+01 -1.7663E+01 1.3521E+00 H1 5210 1.008000 0.423800 1.6403E+01 -1.8255E+01 8.6224E-01 H2 5211 1.008000 0.423800 1.5813E+01 -1.7857E+01 2.3320E+00 O6 5212 15.999400 -0.847600 -1.2996E+01 1.4743E+01 -1.6693E+01 H1 5213 1.008000 0.423800 -1.3378E+01 1.4436E+01 -1.7565E+01 H2 5214 1.008000 0.423800 -1.2022E+01 1.4938E+01 -1.6805E+01 O6 5215 15.999400 -0.847600 1.2456E+01 -1.1232E+01 6.7114E+00 H1 5216 1.008000 0.423800 1.2379E+01 -1.0636E+01 5.9117E+00 H2 5217 1.008000 0.423800 1.1605E+01 -1.1198E+01 7.2349E+00 O6 5218 15.999400 -0.847600 -4.5709E+00 -4.0960E+00 1.3929E+01 H1 5219 1.008000 0.423800 -4.8497E+00 -4.2614E+00 1.4875E+01 H2 5220 1.008000 0.423800 -5.3097E+00 -4.3664E+00 1.3312E+01 O6 5221 15.999400 -0.847600 -5.2287E+00 5.6539E+00 -3.1090E+00 H1 5222 1.008000 0.423800 -5.1444E+00 6.5140E+00 -3.6122E+00 H2 5223 1.008000 0.423800 -5.8105E+00 5.7923E+00 -2.3076E+00 O6 5224 15.999400 -0.847600 -9.4299E+00 -1.2720E+01 -1.1024E+01 H1 5225 1.008000 0.423800 -8.4474E+00 -1.2816E+01 -1.1184E+01 H2 5226 1.008000 0.423800 -9.9012E+00 -1.2617E+01 -1.1900E+01 O6 5227 15.999400 -0.847600 -1.4357E+01 1.9176E+01 -7.2056E+00 H1 5228 1.008000 0.423800 -1.3777E+01 1.8419E+01 -6.9036E+00 H2 5229 1.008000 0.423800 -1.4951E+01 1.8865E+01 -7.9476E+00 O6 5230 15.999400 -0.847600 9.4985E+00 -1.0035E+01 -1.1375E+01 H1 5231 1.008000 0.423800 8.8903E+00 -9.2599E+00 -1.1206E+01 H2 5232 1.008000 0.423800 9.7278E+00 -1.0475E+01 -1.0507E+01 O6 5233 15.999400 -0.847600 -6.5559E+00 -2.0852E+00 1.4872E+01 H1 5234 1.008000 0.423800 -7.2852E+00 -2.7612E+00 1.4766E+01 H2 5235 1.008000 0.423800 -6.2621E+00 -2.0591E+00 1.5827E+01 O6 5236 15.999400 -0.847600 3.4843E+00 1.0084E+01 -2.9397E+00 H1 5237 1.008000 0.423800 3.9019E+00 1.0734E+01 -3.5753E+00 H2 5238 1.008000 0.423800 2.5601E+00 9.8616E+00 -3.2500E+00 O6 5239 15.999400 -0.847600 -1.2159E+00 -5.8021E+00 7.9363E+00 H1 5240 1.008000 0.423800 -1.0614E+00 -4.8142E+00 7.9495E+00 H2 5241 1.008000 0.423800 -1.7763E+00 -6.0413E+00 7.1434E+00 O6 5242 15.999400 -0.847600 8.4909E+00 -4.0696E+00 1.6873E+01 H1 5243 1.008000 0.423800 9.4831E+00 -4.0890E+00 1.6997E+01 H2 5244 1.008000 0.423800 8.1691E+00 -4.9811E+00 1.6617E+01 O6 5245 15.999400 -0.847600 1.7491E+01 1.7995E+01 -8.2807E-01 H1 5246 1.008000 0.423800 1.8140E+01 1.7948E+01 -1.5872E+00 H2 5247 1.008000 0.423800 1.6700E+01 1.8543E+01 -1.0999E+00 O6 5248 15.999400 -0.847600 -1.4908E+01 1.2538E+01 -6.6262E+00 H1 5249 1.008000 0.423800 -1.5844E+01 1.2188E+01 -6.6660E+00 H2 5250 1.008000 0.423800 -1.4893E+01 1.3393E+01 -6.1067E+00 O6 5251 15.999400 -0.847600 1.0016E+01 -8.1151E-01 5.6946E+00 H1 5252 1.008000 0.423800 9.9099E+00 1.7955E-01 5.6139E+00 H2 5253 1.008000 0.423800 1.0909E+01 -1.0193E+00 6.0950E+00 O6 5254 15.999400 -0.847600 3.0687E+00 1.4754E+01 9.1225E+00 H1 5255 1.008000 0.423800 3.6930E+00 1.4163E+01 9.6329E+00 H2 5256 1.008000 0.423800 3.1947E+00 1.4604E+01 8.1419E+00 O6 5257 15.999400 -0.847600 1.3877E+01 1.1546E+01 -1.3962E+01 H1 5258 1.008000 0.423800 1.3084E+01 1.1898E+01 -1.4460E+01 H2 5259 1.008000 0.423800 1.4668E+01 1.1517E+01 -1.4572E+01 O6 5260 15.999400 -0.847600 4.5892E+00 -2.0421E+00 7.8346E+00 H1 5261 1.008000 0.423800 5.5164E+00 -1.9294E+00 8.1919E+00 H2 5262 1.008000 0.423800 4.6329E+00 -2.3956E+00 6.9002E+00 O6 5263 15.999400 -0.847600 2.9349E+00 1.1902E+01 -6.7551E+00 H1 5264 1.008000 0.423800 3.2598E+00 1.1143E+01 -7.3200E+00 H2 5265 1.008000 0.423800 2.1888E+00 1.1585E+01 -6.1693E+00 O6 5266 15.999400 -0.847600 1.3894E+01 -4.8800E+00 1.8900E+01 H1 5267 1.008000 0.423800 1.4208E+01 -5.3458E+00 1.8073E+01 H2 5268 1.008000 0.423800 1.4430E+01 -5.1943E+00 -1.9414E+01 O6 5269 15.999400 -0.847600 6.6297E+00 1.6981E+01 9.3102E+00 H1 5270 1.008000 0.423800 6.0732E+00 1.7202E+01 8.5092E+00 H2 5271 1.008000 0.423800 7.3236E+00 1.6307E+01 9.0583E+00 O6 5272 15.999400 -0.847600 2.1961E+00 -8.3877E+00 1.4388E+01 H1 5273 1.008000 0.423800 1.9531E+00 -8.8531E+00 1.3537E+01 H2 5274 1.008000 0.423800 1.6545E+00 -7.5518E+00 1.4477E+01 O6 5275 15.999400 -0.847600 -1.1172E+01 -1.6793E+01 -1.7359E+01 H1 5276 1.008000 0.423800 -1.0772E+01 -1.7414E+01 -1.6684E+01 H2 5277 1.008000 0.423800 -1.1596E+01 -1.7325E+01 -1.8091E+01 O6 5278 15.999400 -0.847600 -1.3014E+01 2.4336E+00 1.9383E+01 H1 5279 1.008000 0.423800 -1.3715E+01 2.5642E+00 1.8682E+01 H2 5280 1.008000 0.423800 -1.3334E+01 1.7630E+00 -1.9045E+01 O6 5281 15.999400 -0.847600 1.1327E+01 1.2593E+01 -1.4761E+01 H1 5282 1.008000 0.423800 1.1300E+01 1.3309E+01 -1.4063E+01 H2 5283 1.008000 0.423800 1.0454E+01 1.2107E+01 -1.4773E+01 O6 5284 15.999400 -0.847600 -1.9374E+01 2.6881E+00 1.1427E+01 H1 5285 1.008000 0.423800 -1.8935E+01 2.2824E+00 1.0625E+01 H2 5286 1.008000 0.423800 -1.9022E+01 3.6140E+00 1.1566E+01 O6 5287 15.999400 -0.847600 5.6774E+00 -1.0340E+01 -9.6174E+00 H1 5288 1.008000 0.423800 6.6204E+00 -1.0451E+01 -9.3038E+00 H2 5289 1.008000 0.423800 5.0854E+00 -1.0153E+01 -8.8334E+00 O6 5290 15.999400 -0.847600 6.2142E+00 -2.7823E+00 1.6933E+01 H1 5291 1.008000 0.423800 5.6358E+00 -3.4407E+00 1.7414E+01 H2 5292 1.008000 0.423800 7.0910E+00 -3.2088E+00 1.6711E+01 O6 5293 15.999400 -0.847600 1.0739E+01 1.5228E+01 7.1311E+00 H1 5294 1.008000 0.423800 1.1567E+01 1.5246E+01 7.6924E+00 H2 5295 1.008000 0.423800 1.0442E+01 1.4281E+01 7.0069E+00 O6 5296 15.999400 -0.847600 -4.5277E-01 -7.0022E+00 1.8386E+01 H1 5297 1.008000 0.423800 3.0565E-01 -6.4577E+00 1.8744E+01 H2 5298 1.008000 0.423800 -8.8431E-01 -6.5140E+00 1.7628E+01 O6 5299 15.999400 -0.847600 -1.2526E+01 3.9461E+00 -1.5254E+01 H1 5300 1.008000 0.423800 -1.2893E+01 3.9463E+00 -1.4324E+01 H2 5301 1.008000 0.423800 -1.1722E+01 3.3518E+00 -1.5295E+01 O6 5302 15.999400 -0.847600 9.0897E+00 4.3222E+00 5.2068E+00 H1 5303 1.008000 0.423800 8.6028E+00 5.0992E+00 5.6058E+00 H2 5304 1.008000 0.423800 9.4757E+00 4.5887E+00 4.3237E+00 O6 5305 15.999400 -0.847600 -7.3426E+00 1.5365E+01 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H2 5322 1.008000 0.423800 -1.2455E+01 -1.2289E+01 -7.4433E+00 O6 5323 15.999400 -0.847600 9.9586E+00 1.9708E-01 1.8146E+00 H1 5324 1.008000 0.423800 9.4071E+00 -6.2439E-01 1.9597E+00 H2 5325 1.008000 0.423800 1.0275E+01 2.2269E-01 8.6646E-01 O6 5326 15.999400 -0.847600 1.8025E+01 -5.0811E+00 -6.9022E+00 H1 5327 1.008000 0.423800 1.8109E+01 -5.0600E+00 -7.8985E+00 H2 5328 1.008000 0.423800 1.7639E+01 -4.2161E+00 -6.5819E+00 O6 5329 15.999400 -0.847600 7.8423E+00 -8.8227E+00 1.7946E+01 H1 5330 1.008000 0.423800 7.9703E+00 -9.4114E+00 1.8744E+01 H2 5331 1.008000 0.423800 8.4103E+00 -9.1544E+00 1.7192E+01 O6 5332 15.999400 -0.847600 -1.8115E+00 1.2113E+01 1.6572E+01 H1 5333 1.008000 0.423800 -2.7406E+00 1.1936E+01 1.6247E+01 H2 5334 1.008000 0.423800 -1.4222E+00 1.2882E+01 1.6065E+01 O6 5335 15.999400 -0.847600 -1.7650E+01 4.7372E+00 1.1592E+01 H1 5336 1.008000 0.423800 -1.7356E+01 5.6064E+00 1.1193E+01 H2 5337 1.008000 0.423800 -1.7416E+01 4.7200E+00 1.2564E+01 O6 5338 15.999400 -0.847600 -1.4671E+01 -1.2982E+00 -1.0894E+01 H1 5339 1.008000 0.423800 -1.4910E+01 -1.8282E+00 -1.0081E+01 H2 5340 1.008000 0.423800 -1.5503E+01 -9.2749E-01 -1.1307E+01 O6 5341 15.999400 -0.847600 -8.2958E+00 -1.7300E+01 1.9370E+01 H1 5342 1.008000 0.423800 -7.9583E+00 -1.7807E+01 -1.8934E+01 H2 5343 1.008000 0.423800 -8.7219E+00 -1.6448E+01 -1.9422E+01 O6 5344 15.999400 -0.847600 -1.5688E+01 3.4972E+00 -1.0076E+01 H1 5345 1.008000 0.423800 -1.5540E+01 4.4346E+00 -1.0391E+01 H2 5346 1.008000 0.423800 -1.4928E+01 2.9209E+00 -1.0376E+01 O6 5347 15.999400 -0.847600 1.5411E+01 5.5540E+00 1.8588E+01 H1 5348 1.008000 0.423800 1.5165E+01 4.5905E+00 1.8693E+01 H2 5349 1.008000 0.423800 1.4898E+01 5.9480E+00 1.7826E+01 O6 5350 15.999400 -0.847600 1.2226E+01 -1.2066E+01 1.3000E+00 H1 5351 1.008000 0.423800 1.2029E+01 -1.2015E+01 3.2100E-01 H2 5352 1.008000 0.423800 1.2799E+01 -1.1290E+01 1.5657E+00 O6 5353 15.999400 -0.847600 -1.8526E+01 -3.0024E+00 1.2502E+01 H1 5354 1.008000 0.423800 -1.9442E+01 -2.6080E+00 1.2426E+01 H2 5355 1.008000 0.423800 -1.7842E+01 -2.2799E+00 1.2399E+01 O6 5356 15.999400 -0.847600 1.7540E+01 1.2317E+01 2.6864E+00 H1 5357 1.008000 0.423800 1.8059E+01 1.1763E+01 3.3383E+00 H2 5358 1.008000 0.423800 1.7893E+01 1.3252E+01 2.6891E+00 O6 5359 15.999400 -0.847600 5.1842E+00 1.0805E+01 8.7781E+00 H1 5360 1.008000 0.423800 4.2930E+00 1.0882E+01 8.3310E+00 H2 5361 1.008000 0.423800 5.5170E+00 9.8657E+00 8.6986E+00 O6 5362 15.999400 -0.847600 -1.9189E+01 1.3084E+01 1.2947E+01 H1 5363 1.008000 0.423800 -1.9411E+01 1.3890E+01 1.2397E+01 H2 5364 1.008000 0.423800 -1.9521E+01 1.3216E+01 1.3881E+01 O6 5365 15.999400 -0.847600 1.6732E+01 -6.6642E+00 8.5824E-01 H1 5366 1.008000 0.423800 1.6785E+01 -6.6572E+00 1.8568E+00 H2 5367 1.008000 0.423800 1.6528E+01 -5.7424E+00 5.2891E-01 O6 5368 15.999400 -0.847600 1.2495E+01 1.6847E+01 -5.5015E+00 H1 5369 1.008000 0.423800 1.3470E+01 1.6666E+01 -5.6345E+00 H2 5370 1.008000 0.423800 1.2099E+01 1.6133E+01 -4.9251E+00 O6 5371 15.999400 -0.847600 -6.8237E+00 4.5249E+00 -8.2179E+00 H1 5372 1.008000 0.423800 -7.6657E+00 3.9853E+00 -8.2146E+00 H2 5373 1.008000 0.423800 -6.5879E+00 4.7802E+00 -7.2802E+00 O6 5374 15.999400 -0.847600 1.2626E+01 -9.0151E+00 1.9370E+01 H1 5375 1.008000 0.423800 1.3539E+01 -8.6067E+00 1.9349E+01 H2 5376 1.008000 0.423800 1.2347E+01 -9.2541E+00 1.8440E+01 O6 5377 15.999400 -0.847600 1.4155E+01 1.4856E+01 -1.7501E+01 H1 5378 1.008000 0.423800 1.3633E+01 1.4140E+01 -1.7965E+01 H2 5379 1.008000 0.423800 1.4414E+01 1.4541E+01 -1.6588E+01 O6 5380 15.999400 -0.847600 4.6999E+00 9.5053E+00 -1.4711E+01 H1 5381 1.008000 0.423800 5.1885E+00 8.8516E+00 -1.5289E+01 H2 5382 1.008000 0.423800 5.3593E+00 1.0050E+01 -1.4193E+01 O6 5383 15.999400 -0.847600 6.2732E+00 8.4413E+00 -4.0540E+00 H1 5384 1.008000 0.423800 6.8137E+00 7.6358E+00 -3.8112E+00 H2 5385 1.008000 0.423800 6.0303E+00 8.9424E+00 -3.2233E+00 O6 5386 15.999400 -0.847600 -1.5649E+01 4.0461E+00 -1.7550E+01 H1 5387 1.008000 0.423800 -1.4800E+01 4.0215E+00 -1.7022E+01 H2 5388 1.008000 0.423800 -1.6020E+01 4.9750E+00 -1.7542E+01 O6 5389 15.999400 -0.847600 -7.8879E+00 -1.8971E+01 -1.7546E+01 H1 5390 1.008000 0.423800 -7.9756E+00 1.9168E+01 -1.7819E+01 H2 5391 1.008000 0.423800 -8.6738E+00 -1.8712E+01 -1.6985E+01 O6 5392 15.999400 -0.847600 -7.7186E+00 -5.8051E+00 -9.7171E+00 H1 5393 1.008000 0.423800 -8.6464E+00 -5.8502E+00 -9.3468E+00 H2 5394 1.008000 0.423800 -7.6262E+00 -6.4619E+00 -1.0465E+01 O6 5395 15.999400 -0.847600 -4.2923E+00 1.1089E+01 3.7251E+00 H1 5396 1.008000 0.423800 -3.3171E+00 1.1245E+01 3.8828E+00 H2 5397 1.008000 0.423800 -4.5501E+00 1.1464E+01 2.8348E+00 O6 5398 15.999400 -0.847600 1.0809E+01 1.7092E+01 -1.9412E+01 H1 5399 1.008000 0.423800 1.0307E+01 1.6229E+01 -1.9350E+01 H2 5400 1.008000 0.423800 1.1546E+01 1.7098E+01 -1.8737E+01 O6 5401 15.999400 -0.847600 4.2846E-01 5.5016E+00 -1.2689E+01 H1 5402 1.008000 0.423800 9.7807E-01 6.1013E+00 -1.2107E+01 H2 5403 1.008000 0.423800 -3.1351E-01 6.0282E+00 -1.3104E+01 O6 5404 15.999400 -0.847600 -7.3460E+00 1.0773E+01 9.2676E+00 H1 5405 1.008000 0.423800 -7.3176E+00 1.0347E+01 1.0172E+01 H2 5406 1.008000 0.423800 -7.9097E+00 1.0218E+01 8.6558E+00 O6 5407 15.999400 -0.847600 -3.8684E+00 -1.0624E+01 8.8958E+00 H1 5408 1.008000 0.423800 -3.5323E+00 -1.0792E+01 9.8224E+00 H2 5409 1.008000 0.423800 -3.6074E+00 -1.1386E+01 8.3030E+00 O6 5410 15.999400 -0.847600 -1.7645E+01 5.1632E+00 -9.0457E+00 H1 5411 1.008000 0.423800 -1.7159E+01 6.0297E+00 -8.9315E+00 H2 5412 1.008000 0.423800 -1.7059E+01 4.5141E+00 -9.5311E+00 O6 5413 15.999400 -0.847600 4.7781E+00 1.1351E+01 1.8958E+00 H1 5414 1.008000 0.423800 3.8541E+00 1.1262E+01 2.2678E+00 H2 5415 1.008000 0.423800 4.9361E+00 1.0630E+01 1.2207E+00 O6 5416 15.999400 -0.847600 -9.9634E+00 9.9977E+00 -6.8801E+00 H1 5417 1.008000 0.423800 -9.9104E+00 9.3462E+00 -7.6370E+00 H2 5418 1.008000 0.423800 -1.0265E+01 9.5238E+00 -6.0530E+00 O6 5419 15.999400 -0.847600 1.5142E+01 1.4251E+01 -1.5083E+01 H1 5420 1.008000 0.423800 1.5489E+01 1.3320E+01 -1.4972E+01 H2 5421 1.008000 0.423800 1.4604E+01 1.4504E+01 -1.4279E+01 O6 5422 15.999400 -0.847600 2.8868E-01 1.0432E+01 -1.2645E+01 H1 5423 1.008000 0.423800 -6.7455E-01 1.0217E+01 -1.2806E+01 H2 5424 1.008000 0.423800 5.9872E-01 1.1100E+01 -1.3321E+01 O6 5425 15.999400 -0.847600 -1.4503E+01 -1.5958E+01 8.7945E+00 H1 5426 1.008000 0.423800 -1.5450E+01 -1.5712E+01 9.0031E+00 H2 5427 1.008000 0.423800 -1.4402E+01 -1.6085E+01 7.8079E+00 O6 5428 15.999400 -0.847600 1.1829E+01 -1.5109E+01 -2.6827E+00 H1 5429 1.008000 0.423800 1.1347E+01 -1.5103E+01 -1.8062E+00 H2 5430 1.008000 0.423800 1.1571E+01 -1.4300E+01 -3.2102E+00 O6 5431 15.999400 -0.847600 1.7776E+01 1.3660E+01 -7.9844E+00 H1 5432 1.008000 0.423800 1.7330E+01 1.2830E+01 -7.6479E+00 H2 5433 1.008000 0.423800 1.8510E+01 1.3922E+01 -7.3578E+00 O6 5434 15.999400 -0.847600 -1.1002E+01 1.3509E+01 1.7521E+01 H1 5435 1.008000 0.423800 -1.1218E+01 1.4483E+01 1.7441E+01 H2 5436 1.008000 0.423800 -1.0159E+01 1.3313E+01 1.7021E+01 O6 5437 15.999400 -0.847600 2.3943E+00 2.2103E+00 1.5825E+01 H1 5438 1.008000 0.423800 2.9580E+00 1.8226E+00 1.5095E+01 H2 5439 1.008000 0.423800 2.6965E+00 1.8492E+00 1.6707E+01 O6 5440 15.999400 -0.847600 -1.7755E+01 9.4238E+00 1.4998E+01 H1 5441 1.008000 0.423800 -1.8340E+01 8.6507E+00 1.5242E+01 H2 5442 1.008000 0.423800 -1.7367E+01 9.2744E+00 1.4089E+01 O6 5443 15.999400 -0.847600 -4.1310E+00 1.8318E+01 -1.7315E+01 H1 5444 1.008000 0.423800 -4.5623E+00 1.9220E+01 -1.7303E+01 H2 5445 1.008000 0.423800 -3.1957E+00 1.8391E+01 -1.6969E+01 O6 5446 15.999400 -0.847600 8.8004E-01 -7.7289E+00 -1.7231E+01 H1 5447 1.008000 0.423800 1.1618E+00 -8.6179E+00 -1.6870E+01 H2 5448 1.008000 0.423800 -1.0394E-01 -7.7382E+00 -1.7409E+01 O6 5449 15.999400 -0.847600 7.3544E+00 2.0205E+00 -1.3586E+01 H1 5450 1.008000 0.423800 7.3785E+00 1.2671E+00 -1.4243E+01 H2 5451 1.008000 0.423800 7.3413E+00 1.6518E+00 -1.2657E+01 O6 5452 15.999400 -0.847600 -1.9448E+01 1.1026E+01 1.0974E+01 H1 5453 1.008000 0.423800 -1.9547E+01 1.0205E+01 1.1536E+01 H2 5454 1.008000 0.423800 -1.9407E+01 1.1832E+01 1.1565E+01 O6 5455 15.999400 -0.847600 5.8671E+00 8.2526E+00 8.6138E+00 H1 5456 1.008000 0.423800 6.7816E+00 8.1876E+00 9.0132E+00 H2 5457 1.008000 0.423800 5.7269E+00 7.4944E+00 7.9771E+00 O6 5458 15.999400 -0.847600 -1.5080E+01 1.8570E+01 1.1060E+01 H1 5459 1.008000 0.423800 -1.6064E+01 1.8738E+01 1.1129E+01 H2 5460 1.008000 0.423800 -1.4782E+01 1.8723E+01 1.0118E+01 O6 5461 15.999400 -0.847600 -1.4195E+01 -5.7672E+00 -6.7610E+00 H1 5462 1.008000 0.423800 -1.4385E+01 -6.5735E+00 -6.2005E+00 H2 5463 1.008000 0.423800 -1.3826E+01 -6.0549E+00 -7.6447E+00 O6 5464 15.999400 -0.847600 -8.4083E+00 -3.4114E+00 -6.7941E+00 H1 5465 1.008000 0.423800 -9.0435E+00 -3.6318E+00 -7.5344E+00 H2 5466 1.008000 0.423800 -8.5003E+00 -2.4454E+00 -6.5526E+00 O6 5467 15.999400 -0.847600 -1.5339E+01 -3.7828E+00 1.3711E+01 H1 5468 1.008000 0.423800 -1.5516E+01 -2.9530E+00 1.4240E+01 H2 5469 1.008000 0.423800 -1.5228E+01 -3.5448E+00 1.2746E+01 O6 5470 15.999400 -0.847600 -1.8560E+01 4.9757E+00 8.7030E+00 H1 5471 1.008000 0.423800 -1.9245E+01 5.6853E+00 8.8645E+00 H2 5472 1.008000 0.423800 -1.8630E+01 4.2765E+00 9.4146E+00 O6 5473 15.999400 -0.847600 -1.2501E+01 -1.4174E+01 6.8828E+00 H1 5474 1.008000 0.423800 -1.2907E+01 -1.5057E+01 6.6448E+00 H2 5475 1.008000 0.423800 -1.3216E+01 -1.3554E+01 7.2026E+00 O6 5476 15.999400 -0.847600 -1.1190E+01 -5.0232E-01 -1.7786E+01 H1 5477 1.008000 0.423800 -1.0455E+01 -1.0324E+00 -1.8209E+01 H2 5478 1.008000 0.423800 -1.0989E+01 -3.6948E-01 -1.6816E+01 O6 5479 15.999400 -0.847600 -5.6521E+00 5.3797E+00 -1.1940E+01 H1 5480 1.008000 0.423800 -5.5451E+00 4.6430E+00 -1.2608E+01 H2 5481 1.008000 0.423800 -4.8423E+00 5.4191E+00 -1.1355E+01 O6 5482 15.999400 -0.847600 3.9715E+00 9.7855E+00 -8.0249E+00 H1 5483 1.008000 0.423800 4.8658E+00 9.9479E+00 -7.6081E+00 H2 5484 1.008000 0.423800 4.0448E+00 9.8783E+00 -9.0179E+00 O6 5485 15.999400 -0.847600 1.8574E+01 6.5039E+00 9.3383E+00 H1 5486 1.008000 0.423800 1.8182E+01 7.3216E+00 8.9169E+00 H2 5487 1.008000 0.423800 1.7863E+01 5.8084E+00 9.4413E+00 O6 5488 15.999400 -0.847600 9.9806E+00 8.3489E+00 5.7320E+00 H1 5489 1.008000 0.423800 1.0079E+01 7.6451E+00 6.4355E+00 H2 5490 1.008000 0.423800 9.2425E+00 8.9736E+00 5.9868E+00 O6 5491 15.999400 -0.847600 -1.0068E+00 -1.4130E+01 -8.4131E-01 H1 5492 1.008000 0.423800 -2.2430E-01 -1.4226E+01 -1.4567E+00 H2 5493 1.008000 0.423800 -1.5722E+00 -1.3361E+01 -1.1380E+00 O6 5494 15.999400 -0.847600 4.3493E+00 -9.0934E+00 -1.8827E+01 H1 5495 1.008000 0.423800 5.1218E+00 -9.7153E+00 -1.8956E+01 H2 5496 1.008000 0.423800 3.5822E+00 -9.5936E+00 -1.8425E+01 O6 5497 15.999400 -0.847600 -2.6210E+00 -3.8113E+00 -8.2507E-01 H1 5498 1.008000 0.423800 -2.4917E+00 -3.3533E+00 -1.7046E+00 H2 5499 1.008000 0.423800 -3.3659E+00 -3.3691E+00 -3.2548E-01 O6 5500 15.999400 -0.847600 5.9289E+00 1.6319E+01 1.2727E+00 H1 5501 1.008000 0.423800 5.3688E+00 1.6210E+01 2.0939E+00 H2 5502 1.008000 0.423800 6.2671E+00 1.7258E+01 1.2220E+00 O6 5503 15.999400 -0.847600 3.2399E-01 1.6213E+01 1.8043E+01 H1 5504 1.008000 0.423800 -6.4944E-01 1.6442E+01 1.8043E+01 H2 5505 1.008000 0.423800 7.0719E-01 1.6390E+01 1.7136E+01 O6 5506 15.999400 -0.847600 9.2989E+00 -1.8410E+01 1.2318E+01 H1 5507 1.008000 0.423800 8.5115E+00 -1.7911E+01 1.2680E+01 H2 5508 1.008000 0.423800 9.0724E+00 -1.8782E+01 1.1418E+01 O6 5509 15.999400 -0.847600 5.9224E+00 1.1805E+01 4.9417E+00 H1 5510 1.008000 0.423800 6.0331E+00 1.2761E+01 4.6715E+00 H2 5511 1.008000 0.423800 4.9542E+00 1.1614E+01 5.1031E+00 O6 5512 15.999400 -0.847600 -5.3862E+00 -1.2548E+01 -3.7658E+00 H1 5513 1.008000 0.423800 -5.2693E+00 -1.1956E+01 -2.9685E+00 H2 5514 1.008000 0.423800 -5.4010E+00 -1.1990E+01 -4.5957E+00 O6 5515 15.999400 -0.847600 3.4625E+00 6.1883E+00 -4.4712E+00 H1 5516 1.008000 0.423800 3.5467E+00 6.9076E+00 -5.1608E+00 H2 5517 1.008000 0.423800 2.6641E+00 6.3690E+00 -3.8969E+00 O6 5518 15.999400 -0.847600 3.6747E+00 -1.5037E+01 -9.3466E+00 H1 5519 1.008000 0.423800 3.3120E+00 -1.5833E+01 -9.8311E+00 H2 5520 1.008000 0.423800 3.7743E+00 -1.5254E+01 -8.3757E+00 O6 5521 15.999400 -0.847600 1.2525E+01 1.1605E+01 1.7559E+01 H1 5522 1.008000 0.423800 1.2845E+01 1.0658E+01 1.7561E+01 H2 5523 1.008000 0.423800 1.1738E+01 1.1689E+01 1.6948E+01 O6 5524 15.999400 -0.847600 -9.7854E+00 -1.4323E+01 -1.4822E+01 H1 5525 1.008000 0.423800 -9.4333E+00 -1.3816E+01 -1.5608E+01 H2 5526 1.008000 0.423800 -1.0725E+01 -1.4611E+01 -1.5004E+01 O6 5527 15.999400 -0.847600 -2.0797E+00 8.5837E+00 -1.7191E+01 H1 5528 1.008000 0.423800 -1.7217E+00 9.1964E+00 -1.7895E+01 H2 5529 1.008000 0.423800 -2.8758E+00 8.0948E+00 -1.7547E+01 O6 5530 15.999400 -0.847600 1.5298E+01 1.5783E+00 -1.8030E+01 H1 5531 1.008000 0.423800 1.6101E+01 9.9081E-01 -1.7927E+01 H2 5532 1.008000 0.423800 1.4489E+01 1.1001E+00 -1.7689E+01 O6 5533 15.999400 -0.847600 1.0121E+01 -1.4959E+01 3.8618E+00 H1 5534 1.008000 0.423800 9.5889E+00 -1.4933E+01 4.7079E+00 H2 5535 1.008000 0.423800 9.7254E+00 -1.5634E+01 3.2397E+00 O6 5536 15.999400 -0.847600 -4.8730E+00 1.3832E+01 -8.1505E-01 H1 5537 1.008000 0.423800 -3.9752E+00 1.4146E+01 -1.1245E+00 H2 5538 1.008000 0.423800 -5.5296E+00 1.3909E+01 -1.5654E+00 O6 5539 15.999400 -0.847600 -1.1950E+00 5.3207E+00 -5.5558E+00 H1 5540 1.008000 0.423800 -8.0945E-01 5.9152E+00 -6.2615E+00 H2 5541 1.008000 0.423800 -2.1920E+00 5.3161E+00 -5.6321E+00 O6 5542 15.999400 -0.847600 -1.8792E+01 -5.8741E+00 -1.6573E+01 H1 5543 1.008000 0.423800 -1.7881E+01 -6.0809E+00 -1.6216E+01 H2 5544 1.008000 0.423800 -1.8742E+01 -5.0711E+00 -1.7167E+01 O6 5545 15.999400 -0.847600 -1.4609E+01 2.5989E+00 1.0526E+01 H1 5546 1.008000 0.423800 -1.5123E+01 2.3751E+00 1.1354E+01 H2 5547 1.008000 0.423800 -1.4825E+01 1.9355E+00 9.8095E+00 O6 5548 15.999400 -0.847600 1.1182E+01 -1.3958E+01 -1.5409E+01 H1 5549 1.008000 0.423800 1.2087E+01 -1.4061E+01 -1.4994E+01 H2 5550 1.008000 0.423800 1.1065E+01 -1.3016E+01 -1.5723E+01 O6 5551 15.999400 -0.847600 6.6709E+00 1.7140E+01 -1.2362E+01 H1 5552 1.008000 0.423800 7.2550E+00 1.7930E+01 -1.2176E+01 H2 5553 1.008000 0.423800 6.1094E+00 1.7324E+01 -1.3169E+01 O6 5554 15.999400 -0.847600 6.9025E+00 7.8682E+00 -7.5600E-01 H1 5555 1.008000 0.423800 7.3432E+00 8.0254E+00 1.2780E-01 H2 5556 1.008000 0.423800 7.4624E+00 7.2445E+00 -1.3014E+00 O6 5557 15.999400 -0.847600 -1.3579E+01 1.6641E+01 -7.0239E+00 H1 5558 1.008000 0.423800 -1.3112E+01 1.6193E+01 -7.7866E+00 H2 5559 1.008000 0.423800 -1.3020E+01 1.6561E+01 -6.1984E+00 O6 5560 15.999400 -0.847600 -6.3302E-01 1.0040E+01 -7.8344E+00 H1 5561 1.008000 0.423800 -1.4533E+00 1.0527E+01 -7.5337E+00 H2 5562 1.008000 0.423800 -2.6359E-01 1.0483E+01 -8.6514E+00 O6 5563 15.999400 -0.847600 -7.7791E+00 1.6649E+01 -3.1089E+00 H1 5564 1.008000 0.423800 -8.2691E+00 1.6557E+01 -3.9758E+00 H2 5565 1.008000 0.423800 -8.4153E+00 1.6944E+01 -2.3961E+00 O6 5566 15.999400 -0.847600 2.4102E+00 -1.0672E+01 -1.7779E+01 H1 5567 1.008000 0.423800 2.2338E+00 -1.1567E+01 -1.7369E+01 H2 5568 1.008000 0.423800 1.9286E+00 -1.0606E+01 -1.8653E+01 O6 5569 15.999400 -0.847600 1.2390E+01 -1.3883E+00 6.6027E+00 H1 5570 1.008000 0.423800 1.3034E+01 -8.0847E-01 6.1031E+00 H2 5571 1.008000 0.423800 1.2519E+01 -2.3416E+00 6.3297E+00 O6 5572 15.999400 -0.847600 5.9336E+00 -7.1704E+00 -4.1896E+00 H1 5573 1.008000 0.423800 6.9189E+00 -7.0762E+00 -4.0467E+00 H2 5574 1.008000 0.423800 5.4983E+00 -7.4526E+00 -3.3347E+00 O6 5575 15.999400 -0.847600 -1.7098E+01 -1.4476E+01 1.5157E+01 H1 5576 1.008000 0.423800 -1.7465E+01 -1.4478E+01 1.4226E+01 H2 5577 1.008000 0.423800 -1.7478E+01 -1.3701E+01 1.5663E+01 O6 5578 15.999400 -0.847600 1.8396E+01 -1.6757E+01 -2.5942E+00 H1 5579 1.008000 0.423800 1.7743E+01 -1.6502E+01 -1.8808E+00 H2 5580 1.008000 0.423800 1.8505E+01 -1.7751E+01 -2.6060E+00 O6 5581 15.999400 -0.847600 8.6963E+00 -1.9355E+00 4.8594E-01 H1 5582 1.008000 0.423800 8.4579E+00 -2.9019E+00 3.8959E-01 H2 5583 1.008000 0.423800 7.8641E+00 -1.3996E+00 6.2880E-01 O6 5584 15.999400 -0.847600 1.8820E+01 -2.2785E+00 -3.9749E+00 H1 5585 1.008000 0.423800 1.9349E+01 -1.8188E+00 -4.6885E+00 H2 5586 1.008000 0.423800 1.8820E+01 -1.7177E+00 -3.1469E+00 O6 5587 15.999400 -0.847600 -2.8186E+00 3.1551E+00 -3.4390E+00 H1 5588 1.008000 0.423800 -2.8174E+00 3.9153E+00 -4.0887E+00 H2 5589 1.008000 0.423800 -3.3382E+00 2.3910E+00 -3.8211E+00 O6 5590 15.999400 -0.847600 -7.1691E-01 -1.3093E+01 -8.1611E+00 H1 5591 1.008000 0.423800 -3.0638E-01 -1.3693E+01 -8.8476E+00 H2 5592 1.008000 0.423800 -5.4608E-01 -1.3465E+01 -7.2485E+00 O6 5593 15.999400 -0.847600 -5.1204E+00 1.1553E+01 9.2980E-01 H1 5594 1.008000 0.423800 -5.1155E+00 1.0645E+01 5.1061E-01 H2 5595 1.008000 0.423800 -4.8484E+00 1.2235E+01 2.5090E-01 O6 5596 15.999400 -0.847600 -1.2100E+01 -1.1571E+01 5.1351E+00 H1 5597 1.008000 0.423800 -1.2254E+01 -1.1392E+01 4.1635E+00 H2 5598 1.008000 0.423800 -1.2980E+01 -1.1660E+01 5.6010E+00 O6 5599 15.999400 -0.847600 1.4377E+01 -5.4855E+00 1.0389E+01 H1 5600 1.008000 0.423800 1.4427E+01 -6.3011E+00 1.0966E+01 H2 5601 1.008000 0.423800 1.3919E+01 -5.7121E+00 9.5299E+00 O6 5602 15.999400 -0.847600 4.0546E+00 -1.9082E+01 1.9463E+01 H1 5603 1.008000 0.423800 4.7325E+00 -1.9345E+01 1.8776E+01 H2 5604 1.008000 0.423800 3.1384E+00 -1.9303E+01 1.9128E+01 O6 5605 15.999400 -0.847600 5.1138E+00 -9.4806E+00 1.7384E+01 H1 5606 1.008000 0.423800 4.7135E+00 -9.8298E+00 1.8232E+01 H2 5607 1.008000 0.423800 6.1000E+00 -9.3667E+00 1.7504E+01 O6 5608 15.999400 -0.847600 -9.6123E+00 6.6949E+00 6.2301E+00 H1 5609 1.008000 0.423800 -1.0446E+01 6.7845E+00 5.6847E+00 H2 5610 1.008000 0.423800 -9.7006E+00 5.9135E+00 6.8478E+00 O6 5611 15.999400 -0.847600 -8.7930E-01 1.0125E+01 -1.8903E+01 H1 5612 1.008000 0.423800 -4.7198E-02 1.0116E+01 -1.9457E+01 H2 5613 1.008000 0.423800 -1.3768E+00 1.0978E+01 -1.9061E+01 O6 5614 15.999400 -0.847600 1.6880E+01 3.8561E-01 5.1829E+00 H1 5615 1.008000 0.423800 1.7723E+01 -8.9891E-02 4.9313E+00 H2 5616 1.008000 0.423800 1.6506E+01 -1.8420E-02 6.0176E+00 O6 5617 15.999400 -0.847600 1.6883E+00 -2.7756E+00 -8.8519E+00 H1 5618 1.008000 0.423800 1.7544E+00 -2.6358E+00 -9.8399E+00 H2 5619 1.008000 0.423800 1.6057E+00 -3.7533E+00 -8.6585E+00 O6 5620 15.999400 -0.847600 1.5484E+01 -8.2469E+00 1.8204E+01 H1 5621 1.008000 0.423800 1.6266E+01 -7.8695E+00 1.8700E+01 H2 5622 1.008000 0.423800 1.5354E+01 -7.7409E+00 1.7352E+01 O6 5623 15.999400 -0.847600 1.4507E+00 6.1939E+00 1.0811E+00 H1 5624 1.008000 0.423800 1.5382E+00 5.2709E+00 7.0632E-01 H2 5625 1.008000 0.423800 1.1823E+00 6.1390E+00 2.0428E+00 O6 5626 15.999400 -0.847600 1.0481E+01 -1.8017E+01 -1.2713E+01 H1 5627 1.008000 0.423800 1.0483E+01 -1.7026E+01 -1.2581E+01 H2 5628 1.008000 0.423800 1.0669E+01 -1.8226E+01 -1.3672E+01 O6 5629 15.999400 -0.847600 2.4140E+00 -1.2486E+01 -1.1085E+01 H1 5630 1.008000 0.423800 2.8030E+00 -1.1565E+01 -1.1104E+01 H2 5631 1.008000 0.423800 3.1276E+00 -1.3144E+01 -1.0846E+01 O6 5632 15.999400 -0.847600 -5.1131E-01 3.3496E+00 -1.1322E+01 H1 5633 1.008000 0.423800 -2.4374E-01 4.1041E+00 -1.1921E+01 H2 5634 1.008000 0.423800 -1.4999E+00 3.3763E+00 -1.1174E+01 O6 5635 15.999400 -0.847600 1.1979E+01 1.7249E+01 -1.3651E+01 H1 5636 1.008000 0.423800 1.1357E+01 1.6548E+01 -1.4000E+01 H2 5637 1.008000 0.423800 1.1904E+01 1.8072E+01 -1.4214E+01 O6 5638 15.999400 -0.847600 -4.6429E+00 -7.9763E+00 -1.5573E+01 H1 5639 1.008000 0.423800 -4.9552E+00 -7.4937E+00 -1.6391E+01 H2 5640 1.008000 0.423800 -3.6660E+00 -8.1736E+00 -1.5655E+01 O6 5641 15.999400 -0.847600 2.0901E+00 1.1017E+01 2.9613E+00 H1 5642 1.008000 0.423800 2.0374E+00 1.1871E+01 2.4432E+00 H2 5643 1.008000 0.423800 2.2523E+00 1.0256E+01 2.3336E+00 O6 5644 15.999400 -0.847600 1.5126E+01 1.8293E+01 1.0055E+01 H1 5645 1.008000 0.423800 1.5064E+01 1.7423E+01 1.0544E+01 H2 5646 1.008000 0.423800 1.5708E+01 1.8923E+01 1.0569E+01 O6 5647 15.999400 -0.847600 6.2638E+00 1.7383E+01 1.3857E+01 H1 5648 1.008000 0.423800 6.5129E+00 1.8188E+01 1.4395E+01 H2 5649 1.008000 0.423800 5.5887E+00 1.6842E+01 1.4359E+01 O6 5650 15.999400 -0.847600 -5.7217E+00 -1.3860E+01 9.8296E+00 H1 5651 1.008000 0.423800 -5.7943E+00 -1.3368E+01 8.9616E+00 H2 5652 1.008000 0.423800 -5.2423E+00 -1.4725E+01 9.6836E+00 O6 5653 15.999400 -0.847600 -1.0595E+01 1.0383E+01 -1.0418E+01 H1 5654 1.008000 0.423800 -1.0636E+01 1.1186E+01 -9.8233E+00 H2 5655 1.008000 0.423800 -1.0218E+01 9.6096E+00 -9.9084E+00 O6 5656 15.999400 -0.847600 1.7841E+01 -8.6734E+00 4.5333E+00 H1 5657 1.008000 0.423800 1.7343E+01 -7.8184E+00 4.3879E+00 H2 5658 1.008000 0.423800 1.8588E+01 -8.7413E+00 3.8714E+00 O6 5659 15.999400 -0.847600 -1.7605E+01 1.4304E+01 1.5515E+01 H1 5660 1.008000 0.423800 -1.6663E+01 1.4421E+01 1.5200E+01 H2 5661 1.008000 0.423800 -1.7809E+01 1.3329E+01 1.5599E+01 O6 5662 15.999400 -0.847600 -8.3993E-01 -7.2718E+00 1.3701E+00 H1 5663 1.008000 0.423800 -1.2302E+00 -8.1700E+00 1.5724E+00 H2 5664 1.008000 0.423800 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1.008000 0.423800 -1.1762E+01 -1.6704E+01 -4.1623E-01 O6 5698 15.999400 -0.847600 1.8283E+01 1.3705E+01 -1.8031E+01 H1 5699 1.008000 0.423800 1.7698E+01 1.4418E+01 -1.7645E+01 H2 5700 1.008000 0.423800 1.9186E+01 1.4086E+01 -1.8229E+01 O6 5701 15.999400 -0.847600 -1.6051E+01 1.2691E+01 5.5232E+00 H1 5702 1.008000 0.423800 -1.6886E+01 1.3238E+01 5.4672E+00 H2 5703 1.008000 0.423800 -1.6247E+01 1.1832E+01 5.9962E+00 O6 5704 15.999400 -0.847600 -7.6081E+00 1.1797E+01 1.9236E+01 H1 5705 1.008000 0.423800 -7.6036E+00 1.1742E+01 -1.8864E+01 H2 5706 1.008000 0.423800 -8.1500E+00 1.1044E+01 1.8862E+01 O6 5707 15.999400 -0.847600 -8.1673E+00 1.9829E-01 1.4374E+01 H1 5708 1.008000 0.423800 -7.6585E+00 6.8549E-01 1.3664E+01 H2 5709 1.008000 0.423800 -7.6602E+00 -6.1973E-01 1.4645E+01 O6 5710 15.999400 -0.847600 6.6892E+00 1.4184E+00 -1.1214E+00 H1 5711 1.008000 0.423800 6.5867E+00 1.9443E+00 -2.7703E-01 H2 5712 1.008000 0.423800 6.3258E+00 4.9663E-01 -9.8608E-01 O6 5713 15.999400 -0.847600 1.0709E+01 1.7634E+01 1.1867E+00 H1 5714 1.008000 0.423800 1.0207E+01 1.6827E+01 8.7587E-01 H2 5715 1.008000 0.423800 1.1444E+01 1.7353E+01 1.8035E+00 O6 5716 15.999400 -0.847600 9.1933E+00 -1.6426E+01 1.4932E+00 H1 5717 1.008000 0.423800 8.5244E+00 -1.5935E+01 9.3503E-01 H2 5718 1.008000 0.423800 9.1057E+00 -1.7409E+01 1.3308E+00 O6 5719 15.999400 -0.847600 1.5908E+01 1.1474E+01 -1.5577E+01 H1 5720 1.008000 0.423800 1.5883E+01 1.0475E+01 -1.5613E+01 H2 5721 1.008000 0.423800 1.6857E+01 1.1786E+01 -1.5634E+01 O6 5722 15.999400 -0.847600 1.0299E+01 1.1541E+01 1.6132E+00 H1 5723 1.008000 0.423800 1.0846E+01 1.0712E+01 1.4934E+00 H2 5724 1.008000 0.423800 9.3453E+00 1.1291E+01 1.7785E+00 O6 5725 15.999400 -0.847600 -7.5193E+00 -1.6425E+01 3.2478E+00 H1 5726 1.008000 0.423800 -7.2108E+00 -1.7368E+01 3.3724E+00 H2 5727 1.008000 0.423800 -6.7775E+00 -1.5881E+01 2.8560E+00 O6 5728 15.999400 -0.847600 1.5970E+01 -4.9742E+00 -1.5018E+01 H1 5729 1.008000 0.423800 1.6081E+01 -4.0135E+00 -1.5273E+01 H2 5730 1.008000 0.423800 1.6437E+01 -5.5524E+00 -1.5687E+01 O6 5731 15.999400 -0.847600 1.4943E+01 -9.4968E+00 -9.2998E+00 H1 5732 1.008000 0.423800 1.5773E+01 -9.8371E+00 -9.7425E+00 H2 5733 1.008000 0.423800 1.5053E+01 -9.5422E+00 -8.3069E+00 O6 5734 15.999400 -0.847600 9.3128E+00 1.9103E+01 1.8830E+01 H1 5735 1.008000 0.423800 9.8570E+00 1.8434E+01 1.9337E+01 H2 5736 1.008000 0.423800 8.7111E+00 -1.9507E+01 1.9463E+01 O6 5737 15.999400 -0.847600 1.2023E+01 1.0226E+01 -8.9266E+00 H1 5738 1.008000 0.423800 1.1824E+01 1.1206E+01 -8.9135E+00 H2 5739 1.008000 0.423800 1.1883E+01 9.8447E+00 -8.0128E+00 O6 5740 15.999400 -0.847600 5.9416E+00 4.7253E+00 -5.0764E+00 H1 5741 1.008000 0.423800 6.2772E+00 4.3189E+00 -4.2266E+00 H2 5742 1.008000 0.423800 5.1690E+00 5.3275E+00 -4.8755E+00 O6 5743 15.999400 -0.847600 -1.2476E+01 8.3514E+00 -1.9273E+01 H1 5744 1.008000 0.423800 -1.2159E+01 7.4302E+00 -1.9499E+01 H2 5745 1.008000 0.423800 -1.2294E+01 8.9642E+00 1.9055E+01 O6 5746 15.999400 -0.847600 1.6516E+01 7.4652E-01 -9.8196E+00 H1 5747 1.008000 0.423800 1.5810E+01 4.0380E-01 -1.0440E+01 H2 5748 1.008000 0.423800 1.6733E+01 1.6944E+00 -1.0053E+01 O6 5749 15.999400 -0.847600 1.1694E+01 -1.5459E+01 6.5535E-01 H1 5750 1.008000 0.423800 1.1867E+01 -1.4533E+01 9.9091E-01 H2 5751 1.008000 0.423800 1.0766E+01 -1.5736E+01 9.0306E-01 O6 5752 15.999400 -0.847600 -1.7772E+01 -1.2784E+01 -1.1972E+00 H1 5753 1.008000 0.423800 -1.8753E+01 -1.2967E+01 -1.2603E+00 H2 5754 1.008000 0.423800 -1.7444E+01 -1.3035E+01 -2.8673E-01 O6 5755 15.999400 -0.847600 -6.7262E+00 -1.4600E+01 1.8501E+01 H1 5756 1.008000 0.423800 -7.2506E+00 -1.5418E+01 1.8737E+01 H2 5757 1.008000 0.423800 -6.3242E+00 -1.4712E+01 1.7592E+01 O6 5758 15.999400 -0.847600 5.6421E+00 7.4008E+00 -1.1929E+01 H1 5759 1.008000 0.423800 5.0324E+00 7.2822E+00 -1.1145E+01 H2 5760 1.008000 0.423800 5.7954E+00 8.3763E+00 -1.2087E+01 O6 5761 15.999400 -0.847600 1.3662E+01 -1.7898E+01 -1.1282E+01 H1 5762 1.008000 0.423800 1.3603E+01 -1.7378E+01 -1.0430E+01 H2 5763 1.008000 0.423800 1.3048E+01 -1.8686E+01 -1.1234E+01 O6 5764 15.999400 -0.847600 3.6408E+00 1.6884E+01 -1.8402E+01 H1 5765 1.008000 0.423800 2.6776E+00 1.6757E+01 -1.8165E+01 H2 5766 1.008000 0.423800 3.9201E+00 1.7816E+01 -1.8172E+01 O6 5767 15.999400 -0.847600 -2.8316E+00 8.0638E+00 -8.6648E-01 H1 5768 1.008000 0.423800 -2.9066E+00 8.3501E+00 -1.8217E+00 H2 5769 1.008000 0.423800 -2.2969E+00 7.2206E+00 -8.1230E-01 O6 5770 15.999400 -0.847600 -1.6283E+01 -7.3515E+00 1.3070E+01 H1 5771 1.008000 0.423800 -1.5808E+01 -7.6718E+00 1.2250E+01 H2 5772 1.008000 0.423800 -1.6792E+01 -6.5173E+00 1.2856E+01 O6 5773 15.999400 -0.847600 -7.7684E+00 1.4307E+01 -1.2868E+01 H1 5774 1.008000 0.423800 -6.8852E+00 1.3851E+01 -1.2980E+01 H2 5775 1.008000 0.423800 -7.7679E+00 1.4831E+01 -1.2017E+01 O6 5776 15.999400 -0.847600 -2.1779E+00 -5.8049E+00 -8.9644E+00 H1 5777 1.008000 0.423800 -2.1952E+00 -4.8523E+00 -9.2683E+00 H2 5778 1.008000 0.423800 -3.1109E+00 -6.1639E+00 -8.9401E+00 O6 5779 15.999400 -0.847600 1.1008E+01 1.0008E+01 -6.3075E+00 H1 5780 1.008000 0.423800 1.0768E+01 9.7632E+00 -5.3679E+00 H2 5781 1.008000 0.423800 1.1708E+01 1.0721E+01 -6.2980E+00 O6 5782 15.999400 -0.847600 -1.8115E+01 2.5862E+00 1.6382E+01 H1 5783 1.008000 0.423800 -1.7675E+01 3.4463E+00 1.6640E+01 H2 5784 1.008000 0.423800 -1.7603E+01 1.8202E+00 1.6771E+01 O6 5785 15.999400 -0.847600 7.1086E+00 -9.9638E+00 6.9811E+00 H1 5786 1.008000 0.423800 6.4064E+00 -9.3482E+00 6.6234E+00 H2 5787 1.008000 0.423800 7.9770E+00 -9.4731E+00 7.0524E+00 O6 5788 15.999400 -0.847600 1.0037E+01 1.4575E+01 -1.7834E+01 H1 5789 1.008000 0.423800 1.0691E+01 1.4281E+01 -1.8531E+01 H2 5790 1.008000 0.423800 9.4149E+00 1.3821E+01 -1.7622E+01 O6 5791 15.999400 -0.847600 5.1243E+00 -8.7686E+00 5.6843E+00 H1 5792 1.008000 0.423800 4.6213E+00 -7.9230E+00 5.5053E+00 H2 5793 1.008000 0.423800 5.3701E+00 -9.2002E+00 4.8164E+00 O6 5794 15.999400 -0.847600 -1.7116E+01 -2.2693E-01 3.0771E+00 H1 5795 1.008000 0.423800 -1.7304E+01 -1.1255E+00 2.6805E+00 H2 5796 1.008000 0.423800 -1.6649E+01 -3.4067E-01 3.9537E+00 O6 5797 15.999400 -0.847600 -1.8941E+01 -1.4849E+01 -3.6660E+00 H1 5798 1.008000 0.423800 -1.9064E+01 -1.3914E+01 -3.3337E+00 H2 5799 1.008000 0.423800 -1.9521E+01 -1.5469E+01 -3.1377E+00 O6 5800 15.999400 -0.847600 -1.1879E+01 -5.3230E+00 1.8248E+01 H1 5801 1.008000 0.423800 -1.0925E+01 -5.4222E+00 1.7964E+01 H2 5802 1.008000 0.423800 -1.2059E+01 -4.3683E+00 1.8485E+01 O6 5803 15.999400 -0.847600 1.5854E+01 8.0955E+00 1.3864E+01 H1 5804 1.008000 0.423800 1.5197E+01 8.8148E+00 1.4091E+01 H2 5805 1.008000 0.423800 1.5918E+01 8.0040E+00 1.2871E+01 O6 5806 15.999400 -0.847600 7.1625E+00 -1.5625E+01 -7.7554E-02 H1 5807 1.008000 0.423800 7.1353E+00 -1.4819E+01 -6.6847E-01 H2 5808 1.008000 0.423800 6.4221E+00 -1.5572E+01 5.9250E-01 O6 5809 15.999400 -0.847600 4.6829E-01 -1.5622E+00 -1.3776E+01 H1 5810 1.008000 0.423800 -1.7153E-01 -1.0103E+00 -1.4311E+01 H2 5811 1.008000 0.423800 3.4357E-02 -2.4281E+00 -1.3527E+01 O6 5812 15.999400 -0.847600 6.6348E-01 -1.3908E+01 -5.5905E+00 H1 5813 1.008000 0.423800 5.4406E-01 -1.2925E+01 -5.4536E+00 H2 5814 1.008000 0.423800 1.6393E+00 -1.4124E+01 -5.6280E+00 O6 5815 15.999400 -0.847600 5.3308E-01 4.8891E+00 -1.8841E+01 H1 5816 1.008000 0.423800 -3.1362E-01 5.3368E+00 -1.9129E+01 H2 5817 1.008000 0.423800 7.5792E-01 5.1694E+00 -1.7908E+01 O6 5818 15.999400 -0.847600 1.4344E+01 1.9164E+01 7.6473E+00 H1 5819 1.008000 0.423800 1.3421E+01 1.9549E+01 7.6280E+00 H2 5820 1.008000 0.423800 1.4536E+01 1.8804E+01 8.5600E+00 O6 5821 15.999400 -0.847600 7.4587E+00 1.6384E+01 -4.2362E+00 H1 5822 1.008000 0.423800 7.7077E+00 1.7277E+01 -4.6110E+00 H2 5823 1.008000 0.423800 8.2887E+00 1.5877E+01 -4.0055E+00 O6 5824 15.999400 -0.847600 1.5242E+01 1.7087E+01 1.7580E+01 H1 5825 1.008000 0.423800 1.6207E+01 1.7250E+01 1.7790E+01 H2 5826 1.008000 0.423800 1.4813E+01 1.7945E+01 1.7300E+01 O6 5827 15.999400 -0.847600 5.0421E+00 6.0951E+00 -1.4240E+01 H1 5828 1.008000 0.423800 4.9723E+00 6.4935E+00 -1.3325E+01 H2 5829 1.008000 0.423800 4.7962E+00 5.1266E+00 -1.4201E+01 O6 5830 15.999400 -0.847600 1.1553E+01 -2.0004E+00 3.4358E-01 H1 5831 1.008000 0.423800 1.0585E+01 -2.1782E+00 5.2039E-01 H2 5832 1.008000 0.423800 1.2099E+01 -2.3348E+00 1.1117E+00 O6 5833 15.999400 -0.847600 1.1006E+01 9.2824E+00 -3.6396E+00 H1 5834 1.008000 0.423800 1.1926E+01 9.6052E+00 -3.4148E+00 H2 5835 1.008000 0.423800 1.0820E+01 8.4343E+00 -3.1436E+00 O6 5836 15.999400 -0.847600 -6.4599E-01 -1.3253E+01 -1.5977E+01 H1 5837 1.008000 0.423800 -1.2352E+00 -1.2821E+01 -1.6659E+01 H2 5838 1.008000 0.423800 -1.1469E+00 -1.3991E+01 -1.5524E+01 O6 5839 15.999400 -0.847600 1.0441E+01 -1.1293E+01 1.4212E+01 H1 5840 1.008000 0.423800 9.7392E+00 -1.1987E+01 1.4375E+01 H2 5841 1.008000 0.423800 1.1100E+01 -1.1636E+01 1.3542E+01 O6 5842 15.999400 -0.847600 -1.2063E+01 5.6997E+00 -1.2281E+01 H1 5843 1.008000 0.423800 -1.1398E+01 5.7686E+00 -1.3024E+01 H2 5844 1.008000 0.423800 -1.2317E+01 4.7414E+00 -1.2148E+01 O6 5845 15.999400 -0.847600 1.4378E+00 1.9455E+01 1.8662E+01 H1 5846 1.008000 0.423800 1.8894E+00 1.8854E+01 1.8003E+01 H2 5847 1.008000 0.423800 9.0591E-01 -1.8951E+01 1.8173E+01 O6 5848 15.999400 -0.847600 -4.1719E+00 -1.1504E+01 1.4974E+01 H1 5849 1.008000 0.423800 -3.2017E+00 -1.1594E+01 1.4749E+01 H2 5850 1.008000 0.423800 -4.3828E+00 -1.2069E+01 1.5772E+01 O6 5851 15.999400 -0.847600 1.8562E+01 -1.8522E+01 1.0249E+01 H1 5852 1.008000 0.423800 1.8820E+01 -1.9421E+01 9.8954E+00 H2 5853 1.008000 0.423800 1.7742E+01 -1.8610E+01 1.0815E+01 O6 5854 15.999400 -0.847600 1.1543E+01 -3.9889E+00 1.7576E+01 H1 5855 1.008000 0.423800 1.1375E+01 -4.4677E+00 1.6714E+01 H2 5856 1.008000 0.423800 1.2387E+01 -4.3301E+00 1.7988E+01 O6 5857 15.999400 -0.847600 6.5224E+00 1.4325E+01 -1.4581E+00 H1 5858 1.008000 0.423800 5.9545E+00 1.4977E+01 -1.9612E+00 H2 5859 1.008000 0.423800 6.8012E+00 1.3585E+01 -2.0694E+00 O6 5860 15.999400 -0.847600 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H2 5877 1.008000 0.423800 1.2948E+01 -1.3063E+01 9.5614E+00 O6 5878 15.999400 -0.847600 1.9020E+01 -1.3119E+01 -8.6537E+00 H1 5879 1.008000 0.423800 -1.9525E+01 -1.3031E+01 -7.8243E+00 H2 5880 1.008000 0.423800 1.8068E+01 -1.3295E+01 -8.4036E+00 O6 5881 15.999400 -0.847600 1.5044E+01 1.2840E+01 -2.8144E-01 H1 5882 1.008000 0.423800 1.4091E+01 1.3043E+01 -5.0712E-01 H2 5883 1.008000 0.423800 1.5461E+01 1.3640E+01 1.5012E-01 O6 5884 15.999400 -0.847600 -1.8251E+01 1.0852E+01 -9.4599E+00 H1 5885 1.008000 0.423800 -1.7672E+01 1.0311E+01 -1.0070E+01 H2 5886 1.008000 0.423800 -1.7893E+01 1.1784E+01 -9.4005E+00 O6 5887 15.999400 -0.847600 8.8755E+00 8.4780E+00 -1.0477E+01 H1 5888 1.008000 0.423800 9.2586E+00 9.2579E+00 -1.0972E+01 H2 5889 1.008000 0.423800 8.3596E+00 8.8064E+00 -9.6856E+00 O6 5890 15.999400 -0.847600 7.4507E+00 -5.7775E+00 1.1603E+01 H1 5891 1.008000 0.423800 7.0917E+00 -6.7072E+00 1.1520E+01 H2 5892 1.008000 0.423800 7.8075E+00 -5.4781E+00 1.0718E+01 O6 5893 15.999400 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5926 15.999400 -0.847600 -6.5475E+00 -1.2880E+01 1.4504E+01 H1 5927 1.008000 0.423800 -6.7239E+00 -1.3132E+01 1.3553E+01 H2 5928 1.008000 0.423800 -5.8549E+00 -1.2159E+01 1.4534E+01 O6 5929 15.999400 -0.847600 -1.8164E+01 2.2041E+00 -1.0392E+01 H1 5930 1.008000 0.423800 -1.7203E+01 2.4786E+00 -1.0398E+01 H2 5931 1.008000 0.423800 -1.8594E+01 2.4764E+00 -1.1253E+01 O6 5932 15.999400 -0.847600 8.0795E-01 4.2807E+00 -1.7966E+00 H1 5933 1.008000 0.423800 3.8297E-01 3.3880E+00 -1.6471E+00 H2 5934 1.008000 0.423800 1.6613E+00 4.3347E+00 -1.2781E+00 O6 5935 15.999400 -0.847600 1.6181E+01 -3.2112E+00 1.0360E+01 H1 5936 1.008000 0.423800 1.5812E+01 -2.4938E+00 1.0951E+01 H2 5937 1.008000 0.423800 1.5643E+01 -4.0461E+00 1.0473E+01 O6 5938 15.999400 -0.847600 -3.6742E+00 9.8236E+00 -1.5460E+01 H1 5939 1.008000 0.423800 -3.0962E+00 9.3776E+00 -1.6144E+01 H2 5940 1.008000 0.423800 -3.3686E+00 1.0767E+01 -1.5330E+01 O6 5941 15.999400 -0.847600 -7.2632E+00 -1.3121E+00 -4.7120E-03 H1 5942 1.008000 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0.000 0.000 0.000 39.10 0.000 0.000 0.000 39.10 S 1 32.065000 2.000000 -1.0788E+01 9.6127E+00 -2.1130E-01 O1 2 15.999400 -1.000000 -9.1951E+00 9.2466E+00 -5.5314E-01 O2 3 15.999400 -1.000000 -1.1765E+01 8.3451E+00 -6.8796E-01 O3 4 15.999400 -1.000000 -1.0962E+01 9.8626E+00 1.4307E+00 O4 5 15.999400 -1.000000 -1.1230E+01 1.0997E+01 -1.0348E+00 CU 6 63.465000 2.000000 -1.1629E+01 1.0099E+01 3.0330E+00 O6 7 15.999400 -0.847600 1.8682E+01 1.5557E+01 -1.7764E+01 H1 8 1.008000 0.423800 1.9152E+01 1.4970E+01 -1.7105E+01 H2 9 1.008000 0.423800 1.9150E+01 1.6439E+01 -1.7817E+01 O6 10 15.999400 -0.847600 9.2623E+00 8.0264E+00 1.7851E+01 H1 11 1.008000 0.423800 9.4171E+00 7.4185E+00 1.8630E+01 H2 12 1.008000 0.423800 9.2207E+00 7.4869E+00 1.7010E+01 O6 13 15.999400 -0.847600 -3.9682E+00 -1.8735E+01 -1.4513E+01 H1 14 1.008000 0.423800 -3.9224E+00 -1.8432E+01 -1.3561E+01 H2 15 1.008000 0.423800 -4.4018E+00 1.9462E+01 -1.4555E+01 O6 16 15.999400 -0.847600 -7.7749E+00 -1.1528E+01 1.2379E+01 H1 17 1.008000 0.423800 -8.1024E+00 -1.0626E+01 1.2098E+01 H2 18 1.008000 0.423800 -6.8270E+00 -1.1646E+01 1.2083E+01 O6 19 15.999400 -0.847600 -1.4360E+01 7.3002E+00 -1.5337E+01 H1 20 1.008000 0.423800 -1.4933E+01 8.0963E+00 -1.5533E+01 H2 21 1.008000 0.423800 -1.4525E+01 6.9946E+00 -1.4399E+01 O6 22 15.999400 -0.847600 -1.6157E+01 1.7835E+01 1.2902E+01 H1 23 1.008000 0.423800 -1.5625E+01 1.7257E+01 1.2283E+01 H2 24 1.008000 0.423800 -1.7133E+01 1.7680E+01 1.2746E+01 O6 25 15.999400 -0.847600 4.1818E+00 1.1695E+01 1.1991E+01 H1 26 1.008000 0.423800 4.3495E+00 1.1076E+01 1.1223E+01 H2 27 1.008000 0.423800 4.0599E+00 1.1161E+01 1.2828E+01 O6 28 15.999400 -0.847600 -5.7928E+00 6.0035E+00 8.3789E+00 H1 29 1.008000 0.423800 -6.7223E+00 6.2269E+00 8.6726E+00 H2 30 1.008000 0.423800 -5.1352E+00 6.4577E+00 8.9799E+00 O6 31 15.999400 -0.847600 -2.4497E-01 -1.3367E+01 1.8247E+01 H1 32 1.008000 0.423800 -7.6798E-01 -1.3884E+01 1.7569E+01 H2 33 1.008000 0.423800 6.4421E-01 -1.3118E+01 1.7863E+01 O6 34 15.999400 -0.847600 -1.2776E+01 -3.2110E+00 -1.2707E+01 H1 35 1.008000 0.423800 -1.3146E+01 -3.1343E+00 -1.3633E+01 H2 36 1.008000 0.423800 -1.3387E+01 -2.7485E+00 -1.2065E+01 O6 37 15.999400 -0.847600 9.2114E+00 -2.2061E+00 -7.1622E-01 H1 38 1.008000 0.423800 9.4160E+00 -2.2892E+00 2.5910E-01 H2 39 1.008000 0.423800 8.5191E+00 -2.8815E+00 -9.7019E-01 O6 40 15.999400 -0.847600 -1.8783E+00 -8.2359E-01 -8.7338E+00 H1 41 1.008000 0.423800 -2.1937E+00 -1.7282E+00 -8.4470E+00 H2 42 1.008000 0.423800 -2.4101E+00 -1.2028E-01 -8.2620E+00 O6 43 15.999400 -0.847600 -1.9132E+00 -9.2243E+00 1.0078E+01 H1 44 1.008000 0.423800 -2.1239E+00 -9.1855E+00 9.1014E+00 H2 45 1.008000 0.423800 -1.5208E+00 -8.3519E+00 1.0369E+01 O6 46 15.999400 -0.847600 3.3775E-01 1.3245E+00 -7.2964E+00 H1 47 1.008000 0.423800 1.1899E+00 1.0102E+00 -6.8779E+00 H2 48 1.008000 0.423800 4.0765E-01 1.2499E+00 -8.2911E+00 O6 49 15.999400 -0.847600 -1.1212E+01 -9.6152E+00 -6.6468E+00 H1 50 1.008000 0.423800 -1.1451E+01 -1.0459E+01 -6.1662E+00 H2 51 1.008000 0.423800 -1.0242E+01 -9.4151E+00 -6.5060E+00 O6 52 15.999400 -0.847600 1.8917E+01 -5.0635E+00 3.4276E+00 H1 53 1.008000 0.423800 1.9513E+01 -4.2723E+00 3.2889E+00 H2 54 1.008000 0.423800 1.8169E+01 -4.8134E+00 4.0416E+00 O6 55 15.999400 -0.847600 1.7818E+01 -6.0075E-01 -1.7626E+01 H1 56 1.008000 0.423800 1.8385E+01 -4.2479E-01 -1.8431E+01 H2 57 1.008000 0.423800 1.7419E+01 -1.5154E+00 -1.7693E+01 O6 58 15.999400 -0.847600 1.3359E+01 -1.5549E+01 -1.3786E+01 H1 59 1.008000 0.423800 1.4039E+01 -1.5233E+01 -1.4448E+01 H2 60 1.008000 0.423800 1.2458E+01 -1.5198E+01 -1.4041E+01 O6 61 15.999400 -0.847600 1.7084E+01 -8.5707E+00 5.0539E+00 H1 62 1.008000 0.423800 1.6318E+01 -7.9543E+00 4.8710E+00 H2 63 1.008000 0.423800 1.7806E+01 -8.0716E+00 5.5318E+00 O6 64 15.999400 -0.847600 1.0231E+01 -8.2474E+00 -5.5095E-01 H1 65 1.008000 0.423800 1.0009E+01 -7.4013E+00 -1.0356E+00 H2 66 1.008000 0.423800 1.1208E+01 -8.4396E+00 -6.4607E-01 O6 67 15.999400 -0.847600 -7.3486E+00 1.3481E+01 1.2451E+01 H1 68 1.008000 0.423800 -6.4371E+00 1.3070E+01 1.2478E+01 H2 69 1.008000 0.423800 -7.6177E+00 1.3755E+01 1.3374E+01 O6 70 15.999400 -0.847600 1.5523E+01 -2.4907E+00 6.7027E+00 H1 71 1.008000 0.423800 1.4669E+01 -2.9743E+00 6.8956E+00 H2 72 1.008000 0.423800 1.5332E+01 -1.5192E+00 6.5630E+00 O6 73 15.999400 -0.847600 -1.4140E+00 1.6223E+01 1.2305E+01 H1 74 1.008000 0.423800 -2.1423E+00 1.6863E+01 1.2061E+01 H2 75 1.008000 0.423800 -1.1740E+00 1.6342E+01 1.3268E+01 O6 76 15.999400 -0.847600 4.0491E+00 3.6155E+00 -3.5573E+00 H1 77 1.008000 0.423800 4.0369E+00 2.8899E+00 -2.8692E+00 H2 78 1.008000 0.423800 3.6089E+00 4.4334E+00 -3.1869E+00 O6 79 15.999400 -0.847600 8.0080E+00 9.9710E+00 1.2351E+01 H1 80 1.008000 0.423800 8.8242E+00 1.0179E+01 1.2890E+01 H2 81 1.008000 0.423800 7.2003E+00 1.0334E+01 1.2815E+01 O6 82 15.999400 -0.847600 -1.1769E+01 -1.0669E+01 -5.6050E-01 H1 83 1.008000 0.423800 -1.1371E+01 -1.1299E+01 -1.2274E+00 H2 84 1.008000 0.423800 -1.1039E+01 -1.0150E+01 -1.1519E-01 O6 85 15.999400 -0.847600 2.0240E+00 5.6178E+00 -8.7882E+00 H1 86 1.008000 0.423800 2.3298E+00 4.7337E+00 -9.1416E+00 H2 87 1.008000 0.423800 2.1004E+00 5.6226E+00 -7.7911E+00 O6 88 15.999400 -0.847600 2.9605E+00 1.7206E+01 -3.3047E+00 H1 89 1.008000 0.423800 2.3443E+00 1.7990E+01 -3.2259E+00 H2 90 1.008000 0.423800 2.4695E+00 1.6436E+01 -3.7111E+00 O6 91 15.999400 -0.847600 3.1846E+00 6.2004E+00 -2.9577E+00 H1 92 1.008000 0.423800 4.1386E+00 6.4943E+00 -2.8989E+00 H2 93 1.008000 0.423800 2.8895E+00 6.2155E+00 -3.9130E+00 O6 94 15.999400 -0.847600 -1.6081E+01 3.6175E+00 3.7319E+00 H1 95 1.008000 0.423800 -1.5992E+01 3.4491E+00 2.7502E+00 H2 96 1.008000 0.423800 -1.5266E+01 3.2789E+00 4.2031E+00 O6 97 15.999400 -0.847600 9.2504E+00 -8.9416E+00 1.9330E+01 H1 98 1.008000 0.423800 8.4317E+00 -9.2136E+00 1.8824E+01 H2 99 1.008000 0.423800 1.0020E+01 -8.8547E+00 1.8697E+01 O6 100 15.999400 -0.847600 -1.3903E+00 -1.5100E+01 8.6568E+00 H1 101 1.008000 0.423800 -1.7364E+00 -1.5914E+01 9.1234E+00 H2 102 1.008000 0.423800 -1.1961E+00 -1.5321E+01 7.7011E+00 O6 103 15.999400 -0.847600 1.4992E+01 2.8803E+00 -9.7667E+00 H1 104 1.008000 0.423800 1.5657E+01 3.2066E+00 -1.0439E+01 H2 105 1.008000 0.423800 1.5099E+01 1.8935E+00 -9.6447E+00 O6 106 15.999400 -0.847600 5.0868E+00 1.6089E+01 -1.9360E+01 H1 107 1.008000 0.423800 4.1036E+00 1.6103E+01 -1.9178E+01 H2 108 1.008000 0.423800 5.5791E+00 1.5884E+01 -1.8514E+01 O6 109 15.999400 -0.847600 -1.1008E+01 -1.2619E+01 1.7573E+01 H1 110 1.008000 0.423800 -1.1583E+01 -1.2486E+01 1.8381E+01 H2 111 1.008000 0.423800 -1.1027E+01 -1.3583E+01 1.7306E+01 O6 112 15.999400 -0.847600 1.0428E+01 4.1550E+00 1.0247E+01 H1 113 1.008000 0.423800 1.1047E+01 4.9329E+00 1.0355E+01 H2 114 1.008000 0.423800 1.0947E+01 3.3034E+00 1.0320E+01 O6 115 15.999400 -0.847600 -1.6055E+01 -1.3738E+01 -1.6786E+01 H1 116 1.008000 0.423800 -1.5465E+01 -1.3093E+01 -1.7270E+01 H2 117 1.008000 0.423800 -1.6977E+01 -1.3701E+01 -1.7172E+01 O6 118 15.999400 -0.847600 4.7888E+00 -3.0689E+00 4.5193E+00 H1 119 1.008000 0.423800 3.8118E+00 -3.2747E+00 4.4631E+00 H2 120 1.008000 0.423800 4.9505E+00 -2.4199E+00 5.2627E+00 O6 121 15.999400 -0.847600 -8.4324E-01 7.3208E+00 -4.9423E+00 H1 122 1.008000 0.423800 -4.6481E-01 6.8382E+00 -5.7321E+00 H2 123 1.008000 0.423800 -1.3453E+00 8.1275E+00 -5.2539E+00 O6 124 15.999400 -0.847600 1.1621E+01 1.4051E+01 1.8846E+01 H1 125 1.008000 0.423800 1.2225E+01 1.3343E+01 1.9211E+01 H2 126 1.008000 0.423800 1.1956E+01 1.4347E+01 1.7951E+01 O6 127 15.999400 -0.847600 1.6066E+01 1.5871E+01 -1.3705E+01 H1 128 1.008000 0.423800 1.6820E+01 1.5938E+01 -1.3052E+01 H2 129 1.008000 0.423800 1.5976E+01 1.6735E+01 -1.4201E+01 O6 130 15.999400 -0.847600 1.9004E+01 3.2971E+00 -1.2586E+01 H1 131 1.008000 0.423800 -1.9518E+01 2.4828E+00 -1.2656E+01 H2 132 1.008000 0.423800 1.8152E+01 3.1468E+00 -1.3088E+01 O6 133 15.999400 -0.847600 -1.4220E+01 8.0929E+00 6.1681E+00 H1 134 1.008000 0.423800 -1.4875E+01 8.0049E+00 5.4168E+00 H2 135 1.008000 0.423800 -1.3541E+01 7.3614E+00 6.1061E+00 O6 136 15.999400 -0.847600 1.8657E+01 -5.6943E-01 9.4683E+00 H1 137 1.008000 0.423800 -1.9441E+01 -5.3180E-01 9.4649E+00 H2 138 1.008000 0.423800 1.8340E+01 -9.1695E-01 1.0351E+01 O6 139 15.999400 -0.847600 5.8865E+00 -1.3133E+01 -1.1057E+01 H1 140 1.008000 0.423800 5.8879E+00 -1.2998E+01 -1.2048E+01 H2 141 1.008000 0.423800 6.8139E+00 -1.3344E+01 -1.0748E+01 O6 142 15.999400 -0.847600 1.6912E+01 1.6888E+01 -3.0411E+00 H1 143 1.008000 0.423800 1.6565E+01 1.5960E+01 -3.1696E+00 H2 144 1.008000 0.423800 1.6365E+01 1.7356E+01 -2.3476E+00 O6 145 15.999400 -0.847600 -1.3854E+01 -1.4856E+01 6.9485E+00 H1 146 1.008000 0.423800 -1.4494E+01 -1.5123E+01 6.2283E+00 H2 147 1.008000 0.423800 -1.3996E+01 -1.5434E+01 7.7522E+00 O6 148 15.999400 -0.847600 -9.0425E+00 6.1998E+00 1.5851E+00 H1 149 1.008000 0.423800 -8.4259E+00 5.4237E+00 1.7173E+00 H2 150 1.008000 0.423800 -9.2167E+00 6.3243E+00 6.0827E-01 O6 151 15.999400 -0.847600 -1.6555E+01 -8.9534E+00 -2.0450E+00 H1 152 1.008000 0.423800 -1.6771E+01 -9.8587E+00 -1.6788E+00 H2 153 1.008000 0.423800 -1.7395E+01 -8.5141E+00 -2.3633E+00 O6 154 15.999400 -0.847600 1.7574E+01 1.0586E+01 -1.7034E+01 H1 155 1.008000 0.423800 1.7094E+01 9.7756E+00 -1.7372E+01 H2 156 1.008000 0.423800 1.8542E+01 1.0371E+01 -1.6907E+01 O6 157 15.999400 -0.847600 1.5583E+01 -2.2766E+00 -8.9692E+00 H1 158 1.008000 0.423800 1.6185E+01 -1.5091E+00 -9.1902E+00 H2 159 1.008000 0.423800 1.6044E+01 -3.1360E+00 -9.1912E+00 O6 160 15.999400 -0.847600 -1.2620E+01 3.9251E+00 1.9524E+01 H1 161 1.008000 0.423800 -1.2173E+01 3.0782E+00 1.9236E+01 H2 162 1.008000 0.423800 -1.3127E+01 4.3121E+00 1.8754E+01 O6 163 15.999400 -0.847600 8.1283E+00 1.1773E+01 2.5960E+00 H1 164 1.008000 0.423800 9.0996E+00 1.1578E+01 2.4594E+00 H2 165 1.008000 0.423800 7.8718E+00 1.2579E+01 2.0628E+00 O6 166 15.999400 -0.847600 1.4369E+01 2.9762E+00 1.3750E+01 H1 167 1.008000 0.423800 1.4832E+01 3.0223E+00 1.4636E+01 H2 168 1.008000 0.423800 1.3457E+01 2.5844E+00 1.3871E+01 O6 169 15.999400 -0.847600 -5.6252E+00 1.4062E+01 9.7749E+00 H1 170 1.008000 0.423800 -5.3519E+00 1.4287E+01 8.8398E+00 H2 171 1.008000 0.423800 -6.3330E+00 1.4699E+01 1.0078E+01 O6 172 15.999400 -0.847600 2.1148E+00 1.2639E+01 2.0676E+00 H1 173 1.008000 0.423800 1.9166E+00 1.3596E+01 2.2793E+00 H2 174 1.008000 0.423800 2.6088E+00 1.2224E+01 2.8316E+00 O6 175 15.999400 -0.847600 -1.0967E+01 1.7654E+01 -6.8401E-01 H1 176 1.008000 0.423800 -1.1763E+01 1.7316E+01 -1.1866E+00 H2 177 1.008000 0.423800 -1.0626E+01 1.8487E+01 -1.1205E+00 O6 178 15.999400 -0.847600 1.3416E+01 1.4634E+01 7.1606E+00 H1 179 1.008000 0.423800 1.3260E+01 1.5601E+01 6.9598E+00 H2 180 1.008000 0.423800 1.2793E+01 1.4340E+01 7.8856E+00 O6 181 15.999400 -0.847600 1.8527E+01 1.3059E+01 -4.7938E+00 H1 182 1.008000 0.423800 1.9105E+01 1.3861E+01 -4.6427E+00 H2 183 1.008000 0.423800 1.7566E+01 1.3318E+01 -4.6983E+00 O6 184 15.999400 -0.847600 -1.7839E+01 -6.1853E+00 1.7040E+01 H1 185 1.008000 0.423800 -1.7333E+01 -6.3303E+00 1.7890E+01 H2 186 1.008000 0.423800 -1.8116E+01 -5.2265E+00 1.6976E+01 O6 187 15.999400 -0.847600 8.1643E-01 1.5202E+01 8.4996E+00 H1 188 1.008000 0.423800 7.2426E-01 1.5636E+01 7.6036E+00 H2 189 1.008000 0.423800 1.4320E+00 1.5744E+01 9.0712E+00 O6 190 15.999400 -0.847600 -6.2720E+00 -1.2157E+01 1.7538E+01 H1 191 1.008000 0.423800 -5.8241E+00 -1.1280E+01 1.7361E+01 H2 192 1.008000 0.423800 -7.1070E+00 -1.2003E+01 1.8067E+01 O6 193 15.999400 -0.847600 -7.8935E+00 1.4201E+01 -1.5683E+01 H1 194 1.008000 0.423800 -7.9578E+00 1.4145E+01 -1.4687E+01 H2 195 1.008000 0.423800 -8.4434E+00 1.3474E+01 -1.6094E+01 O6 196 15.999400 -0.847600 -8.8622E+00 2.0220E+00 -9.9239E+00 H1 197 1.008000 0.423800 -8.8810E+00 2.7448E+00 -1.0615E+01 H2 198 1.008000 0.423800 -9.7590E+00 1.9556E+00 -9.4864E+00 O6 199 15.999400 -0.847600 -4.0065E+00 -1.0737E+01 -8.1456E+00 H1 200 1.008000 0.423800 -4.0035E+00 -1.0442E+01 -9.1011E+00 H2 201 1.008000 0.423800 -4.5601E+00 -1.1565E+01 -8.0541E+00 O6 202 15.999400 -0.847600 -1.3004E+01 -5.0118E+00 -7.4610E+00 H1 203 1.008000 0.423800 -1.3619E+01 -5.4364E+00 -6.7964E+00 H2 204 1.008000 0.423800 -1.3520E+01 -4.3733E+00 -8.0320E+00 O6 205 15.999400 -0.847600 1.4602E+01 6.6901E-02 5.9418E+00 H1 206 1.008000 0.423800 1.3895E+01 3.9137E-01 6.5701E+00 H2 207 1.008000 0.423800 1.4435E+01 4.4161E-01 5.0299E+00 O6 208 15.999400 -0.847600 1.2836E+01 6.1053E+00 -1.6638E+01 H1 209 1.008000 0.423800 1.1905E+01 6.2496E+00 -1.6303E+01 H2 210 1.008000 0.423800 1.3437E+01 5.8898E+00 -1.5869E+01 O6 211 15.999400 -0.847600 8.9947E+00 -1.7126E+01 -6.0799E+00 H1 212 1.008000 0.423800 8.7973E+00 -1.7839E+01 -6.7523E+00 H2 213 1.008000 0.423800 8.6532E+00 -1.7409E+01 -5.1837E+00 O6 214 15.999400 -0.847600 -2.9471E+00 -4.4683E+00 -1.0163E+01 H1 215 1.008000 0.423800 -2.9030E+00 -3.5715E+00 -9.7226E+00 H2 216 1.008000 0.423800 -3.8910E+00 -4.7981E+00 -1.0154E+01 O6 217 15.999400 -0.847600 9.0800E+00 -7.9046E+00 1.9450E+00 H1 218 1.008000 0.423800 9.4411E+00 -8.1645E+00 1.0493E+00 H2 219 1.008000 0.423800 9.2598E+00 -6.9345E+00 2.1081E+00 O6 220 15.999400 -0.847600 -3.8840E+00 -7.6886E+00 -2.9352E+00 H1 221 1.008000 0.423800 -2.9639E+00 -7.4746E+00 -2.6070E+00 H2 222 1.008000 0.423800 -3.8873E+00 -7.6979E+00 -3.9352E+00 O6 223 15.999400 -0.847600 1.8651E+01 -1.8637E+01 1.0116E+01 H1 224 1.008000 0.423800 1.9343E+01 -1.8606E+01 1.0838E+01 H2 225 1.008000 0.423800 1.8979E+01 -1.8129E+01 9.3188E+00 O6 226 15.999400 -0.847600 -7.9202E-01 1.7637E+01 1.8318E+01 H1 227 1.008000 0.423800 -2.1515E-01 1.8410E+01 1.8053E+01 H2 228 1.008000 0.423800 -1.5668E+00 1.7569E+01 1.7689E+01 O6 229 15.999400 -0.847600 -9.7673E-01 3.5199E+00 -6.2193E+00 H1 230 1.008000 0.423800 -7.7398E-01 2.6287E+00 -6.6250E+00 H2 231 1.008000 0.423800 -1.2447E+00 4.1605E+00 -6.9390E+00 O6 232 15.999400 -0.847600 1.6978E+01 2.1929E+00 -1.3883E+01 H1 233 1.008000 0.423800 1.6842E+01 1.3066E+00 -1.3441E+01 H2 234 1.008000 0.423800 1.6157E+01 2.4364E+00 -1.4400E+01 O6 235 15.999400 -0.847600 6.4781E+00 -1.2262E+01 1.1939E+00 H1 236 1.008000 0.423800 6.6679E+00 -1.2800E+01 2.0151E+00 H2 237 1.008000 0.423800 6.6271E+00 -1.1292E+01 1.3888E+00 O6 238 15.999400 -0.847600 8.0727E+00 -6.0767E+00 -7.8390E-01 H1 239 1.008000 0.423800 8.8354E+00 -5.5481E+00 -1.1565E+00 H2 240 1.008000 0.423800 7.9559E+00 -5.8560E+00 1.8442E-01 O6 241 15.999400 -0.847600 1.9224E+01 1.4312E+00 -1.5973E+01 H1 242 1.008000 0.423800 1.8719E+01 6.6641E-01 -1.6372E+01 H2 243 1.008000 0.423800 1.8583E+01 2.0697E+00 -1.5548E+01 O6 244 15.999400 -0.847600 -1.6644E+01 -1.1158E+01 4.4227E+00 H1 245 1.008000 0.423800 -1.6942E+01 -1.0216E+01 4.2659E+00 H2 246 1.008000 0.423800 -1.5841E+01 -1.1159E+01 5.0177E+00 O6 247 15.999400 -0.847600 -2.7812E+00 -9.3060E+00 3.2465E+00 H1 248 1.008000 0.423800 -3.7512E+00 -9.2486E+00 3.4829E+00 H2 249 1.008000 0.423800 -2.2410E+00 -8.8238E+00 3.9361E+00 O6 250 15.999400 -0.847600 -1.7408E+01 1.7394E+01 -1.4642E+01 H1 251 1.008000 0.423800 -1.7834E+01 1.6957E+01 -1.5434E+01 H2 252 1.008000 0.423800 -1.7761E+01 1.8325E+01 -1.4546E+01 O6 253 15.999400 -0.847600 3.6620E+00 -3.2469E+00 -1.3548E+01 H1 254 1.008000 0.423800 2.8962E+00 -3.8066E+00 -1.3231E+01 H2 255 1.008000 0.423800 3.5384E+00 -3.0305E+00 -1.4516E+01 O6 256 15.999400 -0.847600 -4.0986E+00 1.1032E+01 -3.0159E-01 H1 257 1.008000 0.423800 -5.0301E+00 1.1392E+01 -2.4653E-01 H2 258 1.008000 0.423800 -3.7034E+00 1.0989E+01 6.1596E-01 O6 259 15.999400 -0.847600 -8.4646E+00 1.3358E+01 1.8876E+00 H1 260 1.008000 0.423800 -8.6913E+00 1.3574E+01 9.3791E-01 H2 261 1.008000 0.423800 -8.3136E+00 1.4206E+01 2.3955E+00 O6 262 15.999400 -0.847600 1.4798E+00 -9.1285E-01 7.4205E+00 H1 263 1.008000 0.423800 2.1389E+00 -6.5237E-01 8.1261E+00 H2 264 1.008000 0.423800 1.2106E+00 -1.0229E-01 6.9004E+00 O6 265 15.999400 -0.847600 -1.8362E+01 7.5972E+00 -5.3191E+00 H1 266 1.008000 0.423800 -1.7694E+01 7.4027E+00 -6.0370E+00 H2 267 1.008000 0.423800 -1.9110E+01 8.1412E+00 -5.6989E+00 O6 268 15.999400 -0.847600 -1.5054E+00 6.6842E+00 1.2192E+01 H1 269 1.008000 0.423800 -2.4249E+00 7.0557E+00 1.2063E+01 H2 270 1.008000 0.423800 -1.2863E+00 6.6672E+00 1.3168E+01 O6 271 15.999400 -0.847600 3.4026E+00 5.2483E-01 -1.1951E+01 H1 272 1.008000 0.423800 2.5966E+00 6.3207E-01 -1.2533E+01 H2 273 1.008000 0.423800 4.1764E+00 2.1987E-01 -1.2506E+01 O6 274 15.999400 -0.847600 -6.5236E+00 -1.5182E+01 4.7387E+00 H1 275 1.008000 0.423800 -7.1202E+00 -1.4482E+01 5.1320E+00 H2 276 1.008000 0.423800 -6.0334E+00 -1.5653E+01 5.4721E+00 O6 277 15.999400 -0.847600 1.3305E+01 -6.0995E-01 1.5645E+01 H1 278 1.008000 0.423800 1.4094E+01 -7.9457E-01 1.5059E+01 H2 279 1.008000 0.423800 1.3113E+01 -1.4139E+00 1.6208E+01 O6 280 15.999400 -0.847600 -6.0936E+00 6.4485E+00 1.5110E+01 H1 281 1.008000 0.423800 -6.8689E+00 6.2557E+00 1.4509E+01 H2 282 1.008000 0.423800 -6.3949E+00 7.0292E+00 1.5867E+01 O6 283 15.999400 -0.847600 1.0135E+01 -4.4828E+00 1.8000E+01 H1 284 1.008000 0.423800 9.1540E+00 -4.3179E+00 1.8099E+01 H2 285 1.008000 0.423800 1.0581E+01 -3.6511E+00 1.7669E+01 O6 286 15.999400 -0.847600 -4.8305E+00 -8.7377E+00 -1.4971E+01 H1 287 1.008000 0.423800 -5.3196E+00 -8.6650E+00 -1.5840E+01 H2 288 1.008000 0.423800 -5.4191E+00 -8.4156E+00 -1.4230E+01 O6 289 15.999400 -0.847600 -1.1417E+01 -8.3208E+00 -2.6926E+00 H1 290 1.008000 0.423800 -1.0713E+01 -9.0112E+00 -2.8599E+00 H2 291 1.008000 0.423800 -1.2321E+01 -8.7259E+00 -2.8312E+00 O6 292 15.999400 -0.847600 -9.6525E+00 -2.3118E+00 -2.8307E+00 H1 293 1.008000 0.423800 -9.0831E+00 -2.9898E+00 -2.3658E+00 H2 294 1.008000 0.423800 -1.0388E+01 -2.0187E+00 -2.2195E+00 O6 295 15.999400 -0.847600 1.7937E+01 8.3287E+00 -1.6336E+00 H1 296 1.008000 0.423800 1.8021E+01 7.3731E+00 -1.3509E+00 H2 297 1.008000 0.423800 1.8848E+01 8.7093E+00 -1.7953E+00 O6 298 15.999400 -0.847600 6.1144E+00 2.2778E+00 -1.9301E+01 H1 299 1.008000 0.423800 5.8328E+00 2.8173E+00 -1.8508E+01 H2 300 1.008000 0.423800 6.6215E+00 1.4726E+00 -1.8994E+01 O6 301 15.999400 -0.847600 1.7590E+00 -1.1400E+01 -9.1390E+00 H1 302 1.008000 0.423800 2.4879E+00 -1.2085E+01 -9.1205E+00 H2 303 1.008000 0.423800 1.6443E+00 -1.1061E+01 -1.0073E+01 O6 304 15.999400 -0.847600 2.7474E+00 1.0670E+00 -5.2598E+00 H1 305 1.008000 0.423800 3.5702E+00 7.3858E-01 -4.7959E+00 H2 306 1.008000 0.423800 1.9598E+00 9.6761E-01 -4.6516E+00 O6 307 15.999400 -0.847600 1.1087E+01 1.7733E+01 -1.0975E+01 H1 308 1.008000 0.423800 1.1040E+01 1.8718E+01 -1.1141E+01 H2 309 1.008000 0.423800 1.0572E+01 1.7250E+01 -1.1683E+01 O6 310 15.999400 -0.847600 8.5204E+00 -1.1076E+01 -8.7235E+00 H1 311 1.008000 0.423800 9.4360E+00 -1.0988E+01 -9.1159E+00 H2 312 1.008000 0.423800 7.9770E+00 -1.0271E+01 -8.9621E+00 O6 313 15.999400 -0.847600 -1.6064E+01 -3.8357E+00 3.1857E+00 H1 314 1.008000 0.423800 -1.5794E+01 -3.7053E+00 2.2318E+00 H2 315 1.008000 0.423800 -1.5785E+01 -3.0399E+00 3.7230E+00 O6 316 15.999400 -0.847600 -1.2787E+01 1.3180E+01 -1.7044E+00 H1 317 1.008000 0.423800 -1.2060E+01 1.2508E+01 -1.5664E+00 H2 318 1.008000 0.423800 -1.2938E+01 1.3312E+01 -2.6842E+00 O6 319 15.999400 -0.847600 1.4750E+01 -8.3551E+00 1.3694E+01 H1 320 1.008000 0.423800 1.5406E+01 -9.0151E+00 1.4061E+01 H2 321 1.008000 0.423800 1.4263E+01 -8.7639E+00 1.2922E+01 O6 322 15.999400 -0.847600 -1.8191E+01 -1.8612E+01 -1.3984E+01 H1 323 1.008000 0.423800 -1.8938E+01 -1.7996E+01 -1.4236E+01 H2 324 1.008000 0.423800 -1.7996E+01 -1.8518E+01 -1.3007E+01 O6 325 15.999400 -0.847600 -2.7560E+00 -1.2994E+01 -1.0755E+01 H1 326 1.008000 0.423800 -2.3237E+00 -1.2094E+01 -1.0702E+01 H2 327 1.008000 0.423800 -2.6798E+00 -1.3346E+01 -1.1687E+01 O6 328 15.999400 -0.847600 -2.1437E+00 1.7504E+01 -7.7549E+00 H1 329 1.008000 0.423800 -1.8181E+00 1.7869E+01 -8.6269E+00 H2 330 1.008000 0.423800 -2.3036E+00 1.8257E+01 -7.1167E+00 O6 331 15.999400 -0.847600 -1.2072E+01 4.6045E+00 -9.3888E-01 H1 332 1.008000 0.423800 -1.1779E+01 3.9872E+00 -2.0885E-01 H2 333 1.008000 0.423800 -1.1422E+01 5.3606E+00 -1.0171E+00 O6 334 15.999400 -0.847600 -1.9243E+01 -1.5297E+01 -1.6135E+01 H1 335 1.008000 0.423800 -1.9297E+01 -1.4353E+01 -1.6462E+01 H2 336 1.008000 0.423800 -1.9021E+01 -1.5902E+01 -1.6899E+01 O6 337 15.999400 -0.847600 -2.4046E+00 -1.9252E+00 1.1207E+01 H1 338 1.008000 0.423800 -3.0547E+00 -1.6816E+00 1.0487E+01 H2 339 1.008000 0.423800 -2.7244E+00 -2.7454E+00 1.1681E+01 O6 340 15.999400 -0.847600 6.4840E-01 -1.3080E-02 1.4305E+01 H1 341 1.008000 0.423800 6.7872E-01 4.6052E-01 1.3425E+01 H2 342 1.008000 0.423800 1.4802E+00 -5.5613E-01 1.4420E+01 O6 343 15.999400 -0.847600 2.4808E+00 1.8022E+01 2.7330E+00 H1 344 1.008000 0.423800 2.6106E+00 1.7805E+01 3.7004E+00 H2 345 1.008000 0.423800 2.4017E+00 1.7174E+01 2.2085E+00 O6 346 15.999400 -0.847600 1.1298E+01 -9.7642E+00 -9.4331E+00 H1 347 1.008000 0.423800 1.1583E+01 -9.0222E+00 -8.8262E+00 H2 348 1.008000 0.423800 1.1950E+01 -1.0519E+01 -9.3654E+00 O6 349 15.999400 -0.847600 -6.2935E-01 -1.0239E+01 1.4131E+01 H1 350 1.008000 0.423800 -1.2208E+00 -1.0821E+01 1.4689E+01 H2 351 1.008000 0.423800 -6.0240E-01 -1.0592E+01 1.3195E+01 O6 352 15.999400 -0.847600 -1.6180E+01 -1.7541E+01 1.0452E+01 H1 353 1.008000 0.423800 -1.6576E+01 -1.7651E+01 9.5401E+00 H2 354 1.008000 0.423800 -1.6901E+01 -1.7305E+01 1.1103E+01 O6 355 15.999400 -0.847600 -4.3760E-01 -1.1305E+01 -3.1907E+00 H1 356 1.008000 0.423800 -1.2832E-01 -1.2146E+01 -3.6349E+00 H2 357 1.008000 0.423800 2.1605E-01 -1.0571E+01 -3.3750E+00 O6 358 15.999400 -0.847600 1.6570E+01 -7.1416E+00 -2.5253E+00 H1 359 1.008000 0.423800 1.5774E+01 -6.7156E+00 -2.0948E+00 H2 360 1.008000 0.423800 1.7139E+01 -6.4353E+00 -2.9455E+00 O6 361 15.999400 -0.847600 -1.4103E+01 -1.0432E+01 5.9137E+00 H1 362 1.008000 0.423800 -1.3910E+01 -9.6275E+00 6.4752E+00 H2 363 1.008000 0.423800 -1.4029E+01 -1.1256E+01 6.4755E+00 O6 364 15.999400 -0.847600 8.3873E+00 -2.9469E+00 -9.7289E+00 H1 365 1.008000 0.423800 8.1386E+00 -2.0184E+00 -1.0005E+01 H2 366 1.008000 0.423800 8.9769E+00 -2.9082E+00 -8.9221E+00 O6 367 15.999400 -0.847600 9.6851E+00 -1.2374E+01 -5.5587E+00 H1 368 1.008000 0.423800 9.4997E+00 -1.1473E+01 -5.9497E+00 H2 369 1.008000 0.423800 1.0283E+01 -1.2276E+01 -4.7628E+00 O6 370 15.999400 -0.847600 1.1894E+01 1.0117E+01 -3.7580E+00 H1 371 1.008000 0.423800 1.2574E+01 9.3854E+00 -3.8111E+00 H2 372 1.008000 0.423800 1.0977E+01 9.7274E+00 -3.8493E+00 O6 373 15.999400 -0.847600 5.8991E+00 -8.5035E+00 -6.4596E+00 H1 374 1.008000 0.423800 6.2739E+00 -8.4944E+00 -7.3867E+00 H2 375 1.008000 0.423800 5.5453E+00 -9.4155E+00 -6.2521E+00 O6 376 15.999400 -0.847600 -1.0034E+01 -1.8018E+01 7.3448E+00 H1 377 1.008000 0.423800 -9.9456E+00 -1.8727E+01 8.0450E+00 H2 378 1.008000 0.423800 -1.1002E+01 -1.7873E+01 7.1384E+00 O6 379 15.999400 -0.847600 -1.0730E+01 -6.5632E+00 1.2815E+01 H1 380 1.008000 0.423800 -1.0249E+01 -7.4197E+00 1.3002E+01 H2 381 1.008000 0.423800 -1.0880E+01 -6.0714E+00 1.3673E+01 O6 382 15.999400 -0.847600 2.3285E+00 -9.8770E+00 -1.7785E+01 H1 383 1.008000 0.423800 2.6128E+00 -9.7627E+00 -1.6833E+01 H2 384 1.008000 0.423800 1.3433E+00 -9.7230E+00 -1.7859E+01 O6 385 15.999400 -0.847600 -4.1041E+00 -1.7132E+01 -3.1042E+00 H1 386 1.008000 0.423800 -3.8002E+00 -1.6516E+01 -2.3777E+00 H2 387 1.008000 0.423800 -3.5117E+00 -1.7024E+01 -3.9025E+00 O6 388 15.999400 -0.847600 -1.8669E+01 1.5383E+01 -1.7349E+00 H1 389 1.008000 0.423800 -1.8832E+01 1.6357E+01 -1.5795E+00 H2 390 1.008000 0.423800 -1.8527E+01 1.4925E+01 -8.5743E-01 O6 391 15.999400 -0.847600 -1.1485E+01 1.7243E+00 1.8389E+01 H1 392 1.008000 0.423800 -1.1576E+01 1.1294E+00 1.9187E+01 H2 393 1.008000 0.423800 -1.1783E+01 1.2320E+00 1.7571E+01 O6 394 15.999400 -0.847600 -9.1462E+00 -1.1643E+00 -1.7678E+01 H1 395 1.008000 0.423800 -8.4432E+00 -5.7890E-01 -1.7274E+01 H2 396 1.008000 0.423800 -9.3544E+00 -1.9156E+00 -1.7052E+01 O6 397 15.999400 -0.847600 9.2905E+00 1.9149E+01 1.9488E+01 H1 398 1.008000 0.423800 9.8008E+00 1.8941E+01 -1.8775E+01 H2 399 1.008000 0.423800 8.4503E+00 -1.9460E+01 -1.9374E+01 O6 400 15.999400 -0.847600 1.8737E+01 -1.0760E+01 -1.4773E+00 H1 401 1.008000 0.423800 1.9081E+01 -1.1693E+01 -1.3751E+00 H2 402 1.008000 0.423800 1.8706E+01 -1.0520E+01 -2.4477E+00 O6 403 15.999400 -0.847600 4.4072E-01 8.2225E+00 1.1319E+01 H1 404 1.008000 0.423800 3.7522E-01 9.1424E+00 1.1706E+01 H2 405 1.008000 0.423800 -7.3317E-02 7.5832E+00 1.1891E+01 O6 406 15.999400 -0.847600 -1.0226E+01 1.9117E+01 -4.6880E+00 H1 407 1.008000 0.423800 -1.0983E+01 -1.9352E+01 -4.8646E+00 H2 408 1.008000 0.423800 -1.0242E+01 1.8378E+01 -5.3619E+00 O6 409 15.999400 -0.847600 -6.8436E+00 1.8593E+01 2.9131E+00 H1 410 1.008000 0.423800 -6.8555E+00 1.8371E+01 3.8880E+00 H2 411 1.008000 0.423800 -6.4943E+00 1.7811E+01 2.3971E+00 O6 412 15.999400 -0.847600 1.4014E+01 -1.6816E+01 1.7477E+01 H1 413 1.008000 0.423800 1.3488E+01 -1.6181E+01 1.6912E+01 H2 414 1.008000 0.423800 1.3389E+01 -1.7367E+01 1.8030E+01 O6 415 15.999400 -0.847600 -9.5304E+00 3.5362E+00 -2.5984E+00 H1 416 1.008000 0.423800 -9.2648E+00 4.1738E+00 -3.3215E+00 H2 417 1.008000 0.423800 -1.0187E+01 3.9792E+00 -1.9881E+00 O6 418 15.999400 -0.847600 -8.5326E+00 -4.6209E-01 9.0220E+00 H1 419 1.008000 0.423800 -8.5597E+00 -3.1827E-01 8.0327E+00 H2 420 1.008000 0.423800 -7.5826E+00 -4.5320E-01 9.3341E+00 O6 421 15.999400 -0.847600 9.8633E+00 -1.8814E+01 -1.0421E+01 H1 422 1.008000 0.423800 9.3972E+00 -1.9108E+01 -9.5869E+00 H2 423 1.008000 0.423800 9.2222E+00 -1.8313E+01 -1.1002E+01 O6 424 15.999400 -0.847600 5.1889E+00 1.3930E+01 8.5048E+00 H1 425 1.008000 0.423800 5.8999E+00 1.3614E+01 7.8766E+00 H2 426 1.008000 0.423800 5.2991E+00 1.4911E+01 8.6668E+00 O6 427 15.999400 -0.847600 -1.6940E+01 -1.1960E+01 -1.9198E+00 H1 428 1.008000 0.423800 -1.7527E+01 -1.2082E+01 -1.1194E+00 H2 429 1.008000 0.423800 -1.7380E+01 -1.2367E+01 -2.7207E+00 O6 430 15.999400 -0.847600 -1.6535E+00 -7.0758E+00 1.6431E-01 H1 431 1.008000 0.423800 -1.0962E+00 -6.2455E+00 1.7627E-01 H2 432 1.008000 0.423800 -1.2478E+00 -7.7582E+00 7.7233E-01 O6 433 15.999400 -0.847600 1.9337E+01 2.9310E+00 -6.1191E+00 H1 434 1.008000 0.423800 1.9458E+01 3.7472E+00 -5.5540E+00 H2 435 1.008000 0.423800 -1.8867E+01 2.5987E+00 -6.4202E+00 O6 436 15.999400 -0.847600 -5.5154E+00 -1.4539E+01 -6.7981E-01 H1 437 1.008000 0.423800 -5.8485E+00 -1.5008E+01 1.3798E-01 H2 438 1.008000 0.423800 -6.1917E+00 -1.3864E+01 -9.7555E-01 O6 439 15.999400 -0.847600 1.5606E+00 -9.8868E+00 -4.3293E+00 H1 440 1.008000 0.423800 1.5573E+00 -9.4731E+00 -5.2398E+00 H2 441 1.008000 0.423800 1.8706E+00 -1.0835E+01 -4.3953E+00 O6 442 15.999400 -0.847600 1.6540E+01 1.7498E+01 1.4277E+01 H1 443 1.008000 0.423800 1.6468E+01 1.7087E+01 1.3368E+01 H2 444 1.008000 0.423800 1.7301E+01 1.7078E+01 1.4773E+01 O6 445 15.999400 -0.847600 -8.3469E+00 -1.8234E+01 3.4107E+00 H1 446 1.008000 0.423800 -9.0253E+00 -1.7793E+01 2.8231E+00 H2 447 1.008000 0.423800 -8.0730E+00 -1.9107E+01 3.0062E+00 O6 448 15.999400 -0.847600 -1.8633E+01 -1.6765E+01 4.4128E+00 H1 449 1.008000 0.423800 1.9538E+01 -1.6423E+01 4.5676E+00 H2 450 1.008000 0.423800 -1.8670E+01 -1.7584E+01 3.8403E+00 O6 451 15.999400 -0.847600 9.4687E-01 1.7958E+01 6.9103E+00 H1 452 1.008000 0.423800 9.0280E-01 1.8718E+01 7.5582E+00 H2 453 1.008000 0.423800 1.0072E-01 1.7924E+01 6.3784E+00 O6 454 15.999400 -0.847600 5.4075E+00 6.5395E+00 -1.9458E+01 H1 455 1.008000 0.423800 6.1919E+00 6.5829E+00 -1.8839E+01 H2 456 1.008000 0.423800 4.6485E+00 6.0748E+00 -1.9001E+01 O6 457 15.999400 -0.847600 -4.6670E+00 -1.4480E+01 1.1383E+01 H1 458 1.008000 0.423800 -3.8122E+00 -1.4645E+01 1.1874E+01 H2 459 1.008000 0.423800 -4.9007E+00 -1.3509E+01 1.1439E+01 O6 460 15.999400 -0.847600 1.0482E+01 -1.0852E+01 -1.3619E+00 H1 461 1.008000 0.423800 1.0516E+01 -9.9135E+00 -1.0190E+00 H2 462 1.008000 0.423800 1.0994E+01 -1.1451E+01 -7.4620E-01 O6 463 15.999400 -0.847600 8.2717E+00 8.4648E+00 -1.9600E+00 H1 464 1.008000 0.423800 7.3553E+00 8.1763E+00 -2.2377E+00 H2 465 1.008000 0.423800 8.5674E+00 9.2304E+00 -2.5313E+00 O6 466 15.999400 -0.847600 -1.8518E+01 -3.4207E+00 7.0741E+00 H1 467 1.008000 0.423800 -1.9382E+01 -3.4385E+00 7.5774E+00 H2 468 1.008000 0.423800 -1.8616E+01 -2.8423E+00 6.2643E+00 O6 469 15.999400 -0.847600 -1.2568E+01 8.1058E+00 -6.1136E+00 H1 470 1.008000 0.423800 -1.1936E+01 7.6653E+00 -6.7511E+00 H2 471 1.008000 0.423800 -1.2224E+01 8.0041E+00 -5.1800E+00 O6 472 15.999400 -0.847600 -1.7245E+01 -8.6882E+00 3.5569E+00 H1 473 1.008000 0.423800 -1.7881E+01 -9.2456E+00 3.0239E+00 H2 474 1.008000 0.423800 -1.6817E+01 -8.0085E+00 2.9607E+00 O6 475 15.999400 -0.847600 9.5608E+00 9.4789E+00 6.9378E-01 H1 476 1.008000 0.423800 9.3973E+00 9.1276E+00 -2.2808E-01 H2 477 1.008000 0.423800 8.9512E+00 9.0184E+00 1.3390E+00 O6 478 15.999400 -0.847600 1.2691E+01 -2.0290E+00 4.0003E+00 H1 479 1.008000 0.423800 1.3127E+01 -1.1596E+00 4.2322E+00 H2 480 1.008000 0.423800 1.2042E+01 -2.2783E+00 4.7189E+00 O6 481 15.999400 -0.847600 -1.7915E+01 -1.8770E+01 -2.9564E+00 H1 482 1.008000 0.423800 -1.7591E+01 -1.8181E+01 -2.2159E+00 H2 483 1.008000 0.423800 -1.7614E+01 -1.8397E+01 -3.8343E+00 O6 484 15.999400 -0.847600 8.6694E+00 5.1424E+00 -1.0315E+01 H1 485 1.008000 0.423800 7.9344E+00 5.7799E+00 -1.0546E+01 H2 486 1.008000 0.423800 9.4428E+00 5.6493E+00 -9.9342E+00 O6 487 15.999400 -0.847600 -7.6922E+00 -3.3693E+00 6.6396E-01 H1 488 1.008000 0.423800 -7.7033E+00 -2.4289E+00 3.2403E-01 H2 489 1.008000 0.423800 -7.2781E+00 -3.3899E+00 1.5739E+00 O6 490 15.999400 -0.847600 -1.4261E+01 -1.8727E+01 -9.6711E+00 H1 491 1.008000 0.423800 -1.4722E+01 1.9513E+01 -9.9000E+00 H2 492 1.008000 0.423800 -1.3862E+01 -1.8332E+01 -1.0498E+01 O6 493 15.999400 -0.847600 -1.5813E+01 -6.1576E+00 -1.4147E+01 H1 494 1.008000 0.423800 -1.6238E+01 -5.5045E+00 -1.3520E+01 H2 495 1.008000 0.423800 -1.6152E+01 -7.0776E+00 -1.3949E+01 O6 496 15.999400 -0.847600 -1.6297E+01 6.5678E-01 -1.9580E+00 H1 497 1.008000 0.423800 -1.6701E+01 1.4252E+00 -1.4618E+00 H2 498 1.008000 0.423800 -1.6981E+01 2.5617E-01 -2.5668E+00 O6 499 15.999400 -0.847600 -9.1388E+00 1.2238E+01 -1.6920E+01 H1 500 1.008000 0.423800 -8.5810E+00 1.1409E+01 -1.6881E+01 H2 501 1.008000 0.423800 -1.0087E+01 1.1993E+01 -1.7123E+01 O6 502 15.999400 -0.847600 1.3249E+01 1.2729E+01 3.6454E+00 H1 503 1.008000 0.423800 1.3563E+01 1.2344E+01 2.7774E+00 H2 504 1.008000 0.423800 1.3387E+01 1.3719E+01 3.6405E+00 O6 505 15.999400 -0.847600 -6.4310E+00 3.5036E-01 1.0829E+00 H1 506 1.008000 0.423800 -6.9988E+00 -1.4483E-01 4.2529E-01 H2 507 1.008000 0.423800 -5.5122E+00 4.6970E-01 7.0663E-01 O6 508 15.999400 -0.847600 8.1628E+00 1.5968E+01 4.9733E+00 H1 509 1.008000 0.423800 8.1541E+00 1.6940E+01 4.7381E+00 H2 510 1.008000 0.423800 8.7939E+00 1.5484E+01 4.3672E+00 O6 511 15.999400 -0.847600 2.7336E+00 -1.5767E+01 6.9197E+00 H1 512 1.008000 0.423800 2.1606E+00 -1.5130E+01 7.4358E+00 H2 513 1.008000 0.423800 2.1527E+00 -1.6425E+01 6.4410E+00 O6 514 15.999400 -0.847600 -1.9346E+01 1.7654E+01 9.6067E+00 H1 515 1.008000 0.423800 1.9420E+01 1.8497E+01 1.0032E+01 H2 516 1.008000 0.423800 1.8976E+01 1.7126E+01 9.2628E+00 O6 517 15.999400 -0.847600 1.0504E+01 -1.8606E+01 1.6394E+00 H1 518 1.008000 0.423800 1.0895E+01 -1.7738E+01 1.3347E+00 H2 519 1.008000 0.423800 9.6385E+00 -1.8435E+01 2.1108E+00 O6 520 15.999400 -0.847600 1.5187E+01 1.2520E+01 -1.0328E+01 H1 521 1.008000 0.423800 1.5474E+01 1.2634E+01 -9.3774E+00 H2 522 1.008000 0.423800 1.5838E+01 1.1929E+01 -1.0805E+01 O6 523 15.999400 -0.847600 -1.3752E+01 9.3772E+00 1.3066E+01 H1 524 1.008000 0.423800 -1.3494E+01 9.7863E+00 1.3941E+01 H2 525 1.008000 0.423800 -1.3744E+01 8.3807E+00 1.3148E+01 O6 526 15.999400 -0.847600 8.2956E+00 -1.3931E+00 1.2168E+01 H1 527 1.008000 0.423800 7.5743E+00 -7.0206E-01 1.2215E+01 H2 528 1.008000 0.423800 8.0917E+00 -2.1319E+00 1.2810E+01 O6 529 15.999400 -0.847600 -3.3455E+00 -1.7502E+01 5.8744E+00 H1 530 1.008000 0.423800 -3.5376E+00 -1.8422E+01 5.5331E+00 H2 531 1.008000 0.423800 -3.0217E+00 -1.6928E+01 5.1220E+00 O6 532 15.999400 -0.847600 8.4847E+00 7.1555E+00 -6.8456E+00 H1 533 1.008000 0.423800 8.6936E+00 7.3308E+00 -7.8077E+00 H2 534 1.008000 0.423800 8.8500E+00 7.8983E+00 -6.2845E+00 O6 535 15.999400 -0.847600 -1.3462E+01 1.2277E+01 1.8799E+01 H1 536 1.008000 0.423800 -1.4362E+01 1.1840E+01 1.8806E+01 H2 537 1.008000 0.423800 -1.3563E+01 1.3253E+01 1.8989E+01 O6 538 15.999400 -0.847600 8.5068E+00 -1.0507E+01 -3.1911E+00 H1 539 1.008000 0.423800 9.3438E+00 -1.0673E+01 -2.6699E+00 H2 540 1.008000 0.423800 7.9423E+00 -1.1332E+01 -3.1873E+00 O6 541 15.999400 -0.847600 5.2646E+00 8.2593E+00 -2.4507E-01 H1 542 1.008000 0.423800 5.8190E+00 7.4544E+00 -3.3197E-02 H2 543 1.008000 0.423800 5.4228E+00 8.9643E+00 4.4621E-01 O6 544 15.999400 -0.847600 1.6462E+01 -6.5676E+00 1.0009E+01 H1 545 1.008000 0.423800 1.7000E+01 -6.4819E+00 9.1704E+00 H2 546 1.008000 0.423800 1.6576E+01 -7.4869E+00 1.0386E+01 O6 547 15.999400 -0.847600 1.6732E+01 9.2941E+00 -3.9043E+00 H1 548 1.008000 0.423800 1.7210E+01 8.9694E+00 -3.0880E+00 H2 549 1.008000 0.423800 1.6470E+01 8.5125E+00 -4.4705E+00 O6 550 15.999400 -0.847600 -8.8125E+00 -6.4361E+00 6.7233E+00 H1 551 1.008000 0.423800 -7.8809E+00 -6.2062E+00 6.4417E+00 H2 552 1.008000 0.423800 -9.0588E+00 -7.3342E+00 6.3588E+00 O6 553 15.999400 -0.847600 1.2277E+01 -6.1037E+00 1.1083E+00 H1 554 1.008000 0.423800 1.3015E+01 -5.9271E+00 1.7606E+00 H2 555 1.008000 0.423800 1.2270E+01 -7.0747E+00 8.6910E-01 O6 556 15.999400 -0.847600 1.2930E+01 8.2875E+00 -1.5947E-01 H1 557 1.008000 0.423800 1.2132E+01 7.8770E+00 -6.0049E-01 H2 558 1.008000 0.423800 1.3494E+01 8.7429E+00 -8.4832E-01 O6 559 15.999400 -0.847600 -5.4912E+00 -7.9659E+00 -8.0235E-01 H1 560 1.008000 0.423800 -5.1211E+00 -8.7540E+00 -3.1044E-01 H2 561 1.008000 0.423800 -4.9951E+00 -7.8469E+00 -1.6624E+00 O6 562 15.999400 -0.847600 -2.3119E+00 1.1463E+00 1.6768E+01 H1 563 1.008000 0.423800 -1.4990E+00 1.4840E+00 1.7243E+01 H2 564 1.008000 0.423800 -2.7122E+00 3.9202E-01 1.7289E+01 O6 565 15.999400 -0.847600 -1.1449E+01 1.2686E+01 -1.3792E+01 H1 566 1.008000 0.423800 -1.1670E+01 1.2781E+01 -1.4763E+01 H2 567 1.008000 0.423800 -1.2127E+01 1.3179E+01 -1.3246E+01 O6 568 15.999400 -0.847600 5.2391E+00 -1.4402E+01 -4.1709E+00 H1 569 1.008000 0.423800 5.2158E+00 -1.5320E+01 -3.7754E+00 H2 570 1.008000 0.423800 6.0297E+00 -1.3905E+01 -3.8132E+00 O6 571 15.999400 -0.847600 -1.0689E+01 1.5506E+01 9.7909E-01 H1 572 1.008000 0.423800 -9.8669E+00 1.5502E+01 1.5482E+00 H2 573 1.008000 0.423800 -1.0669E+01 1.6300E+01 3.7074E-01 O6 574 15.999400 -0.847600 8.0269E+00 1.6993E+01 -2.2460E+00 H1 575 1.008000 0.423800 7.1150E+00 1.6598E+01 -2.3550E+00 H2 576 1.008000 0.423800 8.7071E+00 1.6378E+01 -2.6439E+00 O6 577 15.999400 -0.847600 1.4917E+01 1.4657E+01 1.8515E+01 H1 578 1.008000 0.423800 1.4315E+01 1.5352E+01 1.8907E+01 H2 579 1.008000 0.423800 1.5048E+01 1.4841E+01 1.7540E+01 O6 580 15.999400 -0.847600 1.6083E+01 -8.0827E+00 7.9071E-01 H1 581 1.008000 0.423800 1.6212E+01 -8.4192E+00 1.7235E+00 H2 582 1.008000 0.423800 1.5120E+01 -8.1729E+00 5.3421E-01 O6 583 15.999400 -0.847600 -1.7723E+01 -1.5714E+01 6.7707E+00 H1 584 1.008000 0.423800 -1.8079E+01 -1.5856E+01 5.8468E+00 H2 585 1.008000 0.423800 -1.7008E+01 -1.6387E+01 6.9589E+00 O6 586 15.999400 -0.847600 -6.7133E+00 -1.7755E+01 -3.2425E+00 H1 587 1.008000 0.423800 -6.8143E+00 -1.8726E+01 -3.4591E+00 H2 588 1.008000 0.423800 -5.7417E+00 -1.7525E+01 -3.1888E+00 O6 589 15.999400 -0.847600 1.6810E+01 -3.0439E+00 -1.6847E+01 H1 590 1.008000 0.423800 1.6329E+01 -2.4353E+00 -1.6216E+01 H2 591 1.008000 0.423800 1.6147E+01 -3.6119E+00 -1.7334E+01 O6 592 15.999400 -0.847600 -6.0019E+00 1.4043E+01 -1.7896E+01 H1 593 1.008000 0.423800 -6.7466E+00 1.4135E+01 -1.7235E+01 H2 594 1.008000 0.423800 -6.0538E+00 1.3146E+01 -1.8335E+01 O6 595 15.999400 -0.847600 1.4351E+01 -1.8895E+00 -1.9159E+01 H1 596 1.008000 0.423800 1.3408E+01 -1.5773E+00 -1.9046E+01 H2 597 1.008000 0.423800 1.4479E+01 -2.7504E+00 -1.8667E+01 O6 598 15.999400 -0.847600 7.4961E-01 1.8032E+01 -2.8640E-01 H1 599 1.008000 0.423800 1.6653E+00 1.8337E+01 -5.4819E-01 H2 600 1.008000 0.423800 7.7783E-01 1.7062E+01 -4.4950E-02 O6 601 15.999400 -0.847600 -7.3129E+00 1.1057E+01 2.9492E+00 H1 602 1.008000 0.423800 -7.0292E+00 1.0405E+01 2.2456E+00 H2 603 1.008000 0.423800 -7.7005E+00 1.1869E+01 2.5141E+00 O6 604 15.999400 -0.847600 1.7363E+01 1.1983E+01 -1.2108E+01 H1 605 1.008000 0.423800 1.7992E+01 1.1316E+01 -1.1708E+01 H2 606 1.008000 0.423800 1.7360E+01 1.1884E+01 -1.3103E+01 O6 607 15.999400 -0.847600 1.7530E+01 1.1828E+01 6.1935E+00 H1 608 1.008000 0.423800 1.8286E+01 1.2479E+01 6.2587E+00 H2 609 1.008000 0.423800 1.7036E+01 1.1803E+01 7.0628E+00 O6 610 15.999400 -0.847600 -9.9491E+00 -6.2809E+00 -1.4212E+01 H1 611 1.008000 0.423800 -1.0307E+01 -5.4105E+00 -1.3874E+01 H2 612 1.008000 0.423800 -9.7424E+00 -6.8793E+00 -1.3438E+01 O6 613 15.999400 -0.847600 5.4313E+00 1.5281E+01 -1.2448E+01 H1 614 1.008000 0.423800 4.5199E+00 1.4906E+01 -1.2279E+01 H2 615 1.008000 0.423800 5.8096E+00 1.4875E+01 -1.3280E+01 O6 616 15.999400 -0.847600 2.2102E+00 -7.0473E+00 -7.9506E+00 H1 617 1.008000 0.423800 3.0542E+00 -6.7455E+00 -8.3941E+00 H2 618 1.008000 0.423800 2.2056E+00 -8.0452E+00 -7.8869E+00 O6 619 15.999400 -0.847600 -1.1099E+01 -1.4780E+01 6.0647E+00 H1 620 1.008000 0.423800 -1.1077E+01 -1.5036E+01 5.0981E+00 H2 621 1.008000 0.423800 -1.2035E+01 -1.4859E+01 6.4089E+00 O6 622 15.999400 -0.847600 4.8607E+00 -9.3207E-01 -1.8617E+01 H1 623 1.008000 0.423800 4.7872E+00 -1.5358E+00 -1.9411E+01 H2 624 1.008000 0.423800 5.7363E+00 -4.4985E-01 -1.8645E+01 O6 625 15.999400 -0.847600 8.8591E+00 4.7085E+00 -5.3817E-01 H1 626 1.008000 0.423800 9.7096E+00 4.1919E+00 -4.3902E-01 H2 627 1.008000 0.423800 8.5907E+00 4.7270E+00 -1.5013E+00 O6 628 15.999400 -0.847600 1.1759E+01 1.4413E+01 -1.3522E+01 H1 629 1.008000 0.423800 1.2684E+01 1.4225E+01 -1.3195E+01 H2 630 1.008000 0.423800 1.1196E+01 1.4739E+01 -1.2762E+01 O6 631 15.999400 -0.847600 7.2745E+00 -3.3003E+00 1.3671E+01 H1 632 1.008000 0.423800 6.5412E+00 -3.3409E+00 1.2992E+01 H2 633 1.008000 0.423800 6.8779E+00 -3.2639E+00 1.4588E+01 O6 634 15.999400 -0.847600 -1.5039E+01 -1.1379E+01 -1.7530E+01 H1 635 1.008000 0.423800 -1.5545E+01 -1.0640E+01 -1.7085E+01 H2 636 1.008000 0.423800 -1.4121E+01 -1.1060E+01 -1.7763E+01 O6 637 15.999400 -0.847600 8.8507E+00 1.4660E+01 -6.8745E+00 H1 638 1.008000 0.423800 8.2940E+00 1.5106E+01 -6.1739E+00 H2 639 1.008000 0.423800 8.7954E+00 1.5181E+01 -7.7262E+00 O6 640 15.999400 -0.847600 -1.6511E+01 7.1684E+00 -1.8300E+01 H1 641 1.008000 0.423800 -1.5983E+01 6.4519E+00 -1.7845E+01 H2 642 1.008000 0.423800 -1.7452E+01 6.8562E+00 -1.8431E+01 O6 643 15.999400 -0.847600 -1.0579E+01 1.1661E+01 3.3767E+00 H1 644 1.008000 0.423800 -1.0643E+01 1.2164E+01 4.2383E+00 H2 645 1.008000 0.423800 -9.8930E+00 1.2090E+01 2.7896E+00 O6 646 15.999400 -0.847600 8.1889E+00 1.6087E+01 -1.5200E+01 H1 647 1.008000 0.423800 7.7468E+00 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1.5339E+01 -1.7522E+01 8.3492E-01 H1 665 1.008000 0.423800 1.5433E+01 -1.8516E+01 8.8205E-01 H2 666 1.008000 0.423800 1.4807E+01 -1.7275E+01 2.4776E-02 O6 667 15.999400 -0.847600 1.2761E+01 -1.2358E+01 1.1353E+01 H1 668 1.008000 0.423800 1.3190E+01 -1.2993E+01 1.1996E+01 H2 669 1.008000 0.423800 1.2864E+01 -1.2706E+01 1.0422E+01 O6 670 15.999400 -0.847600 1.0978E+01 -1.5427E+01 1.9430E+01 H1 671 1.008000 0.423800 1.0705E+01 -1.4498E+01 -1.9415E+01 H2 672 1.008000 0.423800 1.1611E+01 -1.5786E+01 -1.8982E+01 O6 673 15.999400 -0.847600 -1.5501E+00 1.6934E+01 -1.8327E+01 H1 674 1.008000 0.423800 -1.7889E+00 1.5967E+01 -1.8418E+01 H2 675 1.008000 0.423800 -1.3983E+00 1.7325E+01 -1.9235E+01 O6 676 15.999400 -0.847600 -1.7225E+01 5.9214E+00 -1.3398E+01 H1 677 1.008000 0.423800 -1.7410E+01 5.8416E+00 -1.4378E+01 H2 678 1.008000 0.423800 -1.6236E+01 5.9425E+00 -1.3247E+01 O6 679 15.999400 -0.847600 1.8973E+01 -3.8748E+00 -1.0701E+00 H1 680 1.008000 0.423800 1.9064E+01 -4.6435E+00 -4.3686E-01 H2 681 1.008000 0.423800 1.8399E+01 -3.1682E+00 -6.5614E-01 O6 682 15.999400 -0.847600 -5.2140E+00 -1.1846E+01 1.1046E+01 H1 683 1.008000 0.423800 -5.5108E+00 -1.1369E+01 1.0219E+01 H2 684 1.008000 0.423800 -4.6686E+00 -1.1228E+01 1.1611E+01 O6 685 15.999400 -0.847600 -4.2828E+00 4.6068E+00 5.1387E+00 H1 686 1.008000 0.423800 -5.0686E+00 5.1914E+00 5.3411E+00 H2 687 1.008000 0.423800 -3.9155E+00 4.2353E+00 5.9914E+00 O6 688 15.999400 -0.847600 -5.6210E+00 1.8164E+01 -1.4310E+01 H1 689 1.008000 0.423800 -5.4713E+00 1.8368E+01 -1.3343E+01 H2 690 1.008000 0.423800 -6.3398E+00 1.8760E+01 -1.4669E+01 O6 691 15.999400 -0.847600 -1.0062E+01 -4.3346E+00 1.7901E+01 H1 692 1.008000 0.423800 -1.0819E+01 -4.5584E+00 1.8515E+01 H2 693 1.008000 0.423800 -9.8045E+00 -3.3763E+00 1.8026E+01 O6 694 15.999400 -0.847600 7.4273E+00 2.5518E-01 4.5162E+00 H1 695 1.008000 0.423800 7.3896E+00 9.1066E-01 3.7619E+00 H2 696 1.008000 0.423800 7.1164E+00 -6.3967E-01 4.1959E+00 O6 697 15.999400 -0.847600 4.9114E-01 1.7424E+00 -1.8396E+01 H1 698 1.008000 0.423800 7.6098E-01 2.6378E+00 -1.8042E+01 H2 699 1.008000 0.423800 1.1858E+00 1.0651E+00 -1.8154E+01 O6 700 15.999400 -0.847600 1.7983E+01 -1.3110E+01 1.8393E+01 H1 701 1.008000 0.423800 1.8857E+01 -1.2777E+01 1.8041E+01 H2 702 1.008000 0.423800 1.7309E+01 -1.2372E+01 1.8365E+01 O6 703 15.999400 -0.847600 1.2963E+01 1.6120E+01 -1.5271E+01 H1 704 1.008000 0.423800 1.2412E+01 1.5408E+01 -1.4838E+01 H2 705 1.008000 0.423800 1.3712E+01 1.5697E+01 -1.5782E+01 O6 706 15.999400 -0.847600 -1.2390E+01 1.0375E+01 4.8236E+00 H1 707 1.008000 0.423800 -1.2921E+01 1.1135E+01 5.1984E+00 H2 708 1.008000 0.423800 -1.2422E+01 9.6019E+00 5.4571E+00 O6 709 15.999400 -0.847600 1.6891E+01 -1.5467E+01 1.2438E+01 H1 710 1.008000 0.423800 1.7663E+01 -1.4853E+01 1.2272E+01 H2 711 1.008000 0.423800 1.6721E+01 -1.6017E+01 1.1620E+01 O6 712 15.999400 -0.847600 -7.5567E+00 -3.6414E+00 -1.3547E+01 H1 713 1.008000 0.423800 -6.8796E+00 -3.7295E+00 -1.4278E+01 H2 714 1.008000 0.423800 -7.2347E+00 -4.1264E+00 -1.2734E+01 O6 715 15.999400 -0.847600 -1.2748E+01 -1.8141E+01 7.2066E+00 H1 716 1.008000 0.423800 -1.3138E+01 -1.7322E+01 7.6284E+00 H2 717 1.008000 0.423800 -1.3122E+01 -1.8955E+01 7.6500E+00 O6 718 15.999400 -0.847600 -9.1690E+00 1.2851E+01 -7.1112E-01 H1 719 1.008000 0.423800 -9.0136E+00 1.3412E+01 -1.5243E+00 H2 720 1.008000 0.423800 -9.8123E+00 1.2118E+01 -9.3019E-01 O6 721 15.999400 -0.847600 -1.0539E+01 -1.5299E+01 -4.9918E+00 H1 722 1.008000 0.423800 -1.0461E+01 -1.5233E+01 -5.9865E+00 H2 723 1.008000 0.423800 -9.7041E+00 -1.4949E+01 -4.5680E+00 O6 724 15.999400 -0.847600 -8.1338E+00 -1.7581E+01 -1.0448E+00 H1 725 1.008000 0.423800 -7.5980E+00 -1.7585E+01 -1.8892E+00 H2 726 1.008000 0.423800 -7.5945E+00 -1.7986E+01 -3.0613E-01 O6 727 15.999400 -0.847600 -1.9299E+00 1.2669E+01 -8.4875E+00 H1 728 1.008000 0.423800 -1.3170E+00 1.3130E+01 -9.1292E+00 H2 729 1.008000 0.423800 -1.9727E+00 1.1695E+01 -8.7089E+00 O6 730 15.999400 -0.847600 -9.6327E+00 -1.3323E+01 1.2631E+01 H1 731 1.008000 0.423800 -8.8618E+00 -1.2686E+01 1.2621E+01 H2 732 1.008000 0.423800 -9.3859E+00 -1.4136E+01 1.3159E+01 O6 733 15.999400 -0.847600 -1.4381E+01 1.2113E+01 5.9678E+00 H1 734 1.008000 0.423800 -1.4742E+01 1.2965E+01 5.5890E+00 H2 735 1.008000 0.423800 -1.4791E+01 1.1947E+01 6.8648E+00 O6 736 15.999400 -0.847600 1.1323E+01 1.9531E+01 8.4770E+00 H1 737 1.008000 0.423800 1.1989E+01 -1.8938E+01 8.0745E+00 H2 738 1.008000 0.423800 1.0747E+01 -1.9070E+01 9.1261E+00 O6 739 15.999400 -0.847600 -1.2855E+01 -6.0733E+00 -1.3142E+01 H1 740 1.008000 0.423800 -1.2828E+01 -5.0745E+00 -1.3182E+01 H2 741 1.008000 0.423800 -1.3204E+01 -6.3618E+00 -1.2250E+01 O6 742 15.999400 -0.847600 -1.2961E+01 1.6077E+01 2.8804E+00 H1 743 1.008000 0.423800 -1.2315E+01 1.6826E+01 2.7295E+00 H2 744 1.008000 0.423800 -1.2841E+01 1.5385E+01 2.1689E+00 O6 745 15.999400 -0.847600 -8.0735E+00 -1.7079E+01 1.0134E+01 H1 746 1.008000 0.423800 -7.7541E+00 -1.6537E+01 9.3572E+00 H2 747 1.008000 0.423800 -7.3338E+00 -1.7175E+01 1.0800E+01 O6 748 15.999400 -0.847600 -3.1150E+00 -1.2947E+01 8.6494E+00 H1 749 1.008000 0.423800 -2.6237E+00 -1.2270E+01 9.1976E+00 H2 750 1.008000 0.423800 -2.5362E+00 -1.3752E+01 8.5161E+00 O6 751 15.999400 -0.847600 7.9731E+00 -7.1914E+00 -1.0407E+01 H1 752 1.008000 0.423800 8.0840E+00 -7.8368E+00 -1.1163E+01 H2 753 1.008000 0.423800 8.0140E+00 -6.2562E+00 -1.0759E+01 O6 754 15.999400 -0.847600 -3.0958E+00 -1.0911E+01 -3.4513E+00 H1 755 1.008000 0.423800 -2.1308E+00 -1.1139E+01 -3.5814E+00 H2 756 1.008000 0.423800 -3.3963E+00 -1.0302E+01 -4.1856E+00 O6 757 15.999400 -0.847600 4.7387E+00 -2.1414E+00 7.2638E+00 H1 758 1.008000 0.423800 3.8431E+00 -2.2609E+00 7.6923E+00 H2 759 1.008000 0.423800 5.1097E+00 -1.2463E+00 7.5108E+00 O6 760 15.999400 -0.847600 5.2304E+00 -1.9370E+01 9.7721E+00 H1 761 1.008000 0.423800 5.3711E+00 1.8744E+01 9.6559E+00 H2 762 1.008000 0.423800 4.2500E+00 -1.9175E+01 9.8004E+00 O6 763 15.999400 -0.847600 -6.6460E+00 8.7587E+00 -6.2821E+00 H1 764 1.008000 0.423800 -6.3788E+00 8.7590E+00 -5.3184E+00 H2 765 1.008000 0.423800 -7.6424E+00 8.8072E+00 -6.3517E+00 O6 766 15.999400 -0.847600 -1.5670E+01 -1.7755E+01 -1.5596E+01 H1 767 1.008000 0.423800 -1.6484E+01 -1.8179E+01 -1.5198E+01 H2 768 1.008000 0.423800 -1.5332E+01 -1.7041E+01 -1.4983E+01 O6 769 15.999400 -0.847600 1.7694E+01 -4.9448E-01 -1.2083E+01 H1 770 1.008000 0.423800 1.6816E+01 -1.0022E-01 -1.2354E+01 H2 771 1.008000 0.423800 1.7727E+01 -5.7959E-01 -1.1087E+01 O6 772 15.999400 -0.847600 -1.2726E+01 -8.6511E+00 -1.4174E+01 H1 773 1.008000 0.423800 -1.1910E+01 -9.1830E+00 -1.3948E+01 H2 774 1.008000 0.423800 -1.2542E+01 -7.6794E+00 -1.4026E+01 O6 775 15.999400 -0.847600 -1.4885E+01 9.3159E+00 -1.7807E+01 H1 776 1.008000 0.423800 -1.5323E+01 1.0136E+01 -1.8175E+01 H2 777 1.008000 0.423800 -1.5287E+01 8.5049E+00 -1.8232E+01 O6 778 15.999400 -0.847600 -1.6234E+01 1.4704E+01 -6.8927E+00 H1 779 1.008000 0.423800 -1.6173E+01 1.3847E+01 -6.3812E+00 H2 780 1.008000 0.423800 -1.6215E+01 1.4509E+01 -7.8733E+00 O6 781 15.999400 -0.847600 1.2323E+00 -1.4966E+01 1.6019E+01 H1 782 1.008000 0.423800 1.3582E+00 -1.5920E+01 1.6289E+01 H2 783 1.008000 0.423800 1.7209E+00 -1.4372E+01 1.6658E+01 O6 784 15.999400 -0.847600 7.6599E+00 -1.7355E+01 -2.6337E-01 H1 785 1.008000 0.423800 8.3481E+00 -1.6702E+01 -5.7929E-01 H2 786 1.008000 0.423800 7.2156E+00 -1.6999E+01 5.5889E-01 O6 787 15.999400 -0.847600 6.4260E+00 3.6982E+00 -8.7826E+00 H1 788 1.008000 0.423800 6.1517E+00 3.8789E+00 -7.8380E+00 H2 789 1.008000 0.423800 7.2967E+00 4.1530E+00 -8.9696E+00 O6 790 15.999400 -0.847600 -4.7254E+00 1.1198E+01 -9.5851E+00 H1 791 1.008000 0.423800 -3.8086E+00 1.0799E+01 -9.6024E+00 H2 792 1.008000 0.423800 -4.6711E+00 1.2144E+01 -9.2655E+00 O6 793 15.999400 -0.847600 1.7105E+01 -9.6209E+00 -1.3372E+01 H1 794 1.008000 0.423800 1.7126E+01 -1.0412E+01 -1.2761E+01 H2 795 1.008000 0.423800 1.6248E+01 -9.1214E+00 -1.3242E+01 O6 796 15.999400 -0.847600 -3.3732E+00 1.8389E+01 9.1423E+00 H1 797 1.008000 0.423800 -2.8958E+00 1.9262E+01 9.0414E+00 H2 798 1.008000 0.423800 -2.7657E+00 1.7643E+01 8.8687E+00 O6 799 15.999400 -0.847600 1.4699E+01 1.8207E+01 1.6015E+01 H1 800 1.008000 0.423800 1.4877E+01 1.9150E+01 1.6297E+01 H2 801 1.008000 0.423800 1.5437E+01 1.7894E+01 1.5416E+01 O6 802 15.999400 -0.847600 -1.8673E+01 4.5237E-01 1.7035E+01 H1 803 1.008000 0.423800 -1.7929E+01 4.9569E-01 1.7701E+01 H2 804 1.008000 0.423800 -1.9417E+01 -1.0688E-01 1.7401E+01 O6 805 15.999400 -0.847600 1.9206E+01 -9.7701E+00 7.2935E+00 H1 806 1.008000 0.423800 1.8843E+01 -1.0693E+01 7.1665E+00 H2 807 1.008000 0.423800 1.8562E+01 -9.2303E+00 7.8355E+00 O6 808 15.999400 -0.847600 -1.6229E+01 7.1539E-01 -9.3193E+00 H1 809 1.008000 0.423800 -1.6382E+01 1.0196E+00 -1.0259E+01 H2 810 1.008000 0.423800 -1.5254E+01 5.4161E-01 -9.1803E+00 O6 811 15.999400 -0.847600 -2.5764E+00 7.1834E+00 -1.2176E+01 H1 812 1.008000 0.423800 -2.0353E+00 7.9907E+00 -1.2412E+01 H2 813 1.008000 0.423800 -3.5350E+00 7.3445E+00 -1.2411E+01 O6 814 15.999400 -0.847600 -4.2422E+00 -1.6949E+01 1.2076E+00 H1 815 1.008000 0.423800 -4.9432E+00 -1.6316E+01 1.5361E+00 H2 816 1.008000 0.423800 -3.4108E+00 -1.6440E+01 9.8567E-01 O6 817 15.999400 -0.847600 -1.5650E+01 3.9685E+00 1.0517E+01 H1 818 1.008000 0.423800 -1.5427E+01 4.5407E+00 9.7280E+00 H2 819 1.008000 0.423800 -1.6506E+01 3.4811E+00 1.0344E+01 O6 820 15.999400 -0.847600 1.6333E+01 8.4277E+00 -1.7920E+01 H1 821 1.008000 0.423800 1.6567E+01 7.7954E+00 -1.8658E+01 H2 822 1.008000 0.423800 1.5341E+01 8.4362E+00 -1.7790E+01 O6 823 15.999400 -0.847600 -5.0115E+00 1.8977E+01 -1.1759E+01 H1 824 1.008000 0.423800 -4.5245E+00 1.8304E+01 -1.1202E+01 H2 825 1.008000 0.423800 -4.5982E+00 -1.9219E+01 -1.1630E+01 O6 826 15.999400 -0.847600 -4.7847E+00 -5.1843E+00 -1.8200E+00 H1 827 1.008000 0.423800 -4.5745E+00 -5.8605E+00 -2.5261E+00 H2 828 1.008000 0.423800 -4.6153E+00 -4.2658E+00 -2.1773E+00 O6 829 15.999400 -0.847600 -1.3305E+01 1.8819E+01 -1.9544E+01 H1 830 1.008000 0.423800 -1.3619E+01 1.9126E+01 -1.8646E+01 H2 831 1.008000 0.423800 -1.4090E+01 1.8526E+01 1.9008E+01 O6 832 15.999400 -0.847600 7.1537E+00 -2.8769E+00 -2.3045E+00 H1 833 1.008000 0.423800 7.2580E+00 -3.3305E+00 -3.1896E+00 H2 834 1.008000 0.423800 6.8453E+00 -1.9363E+00 -2.4464E+00 O6 835 15.999400 -0.847600 1.5821E+01 -4.1872E-01 1.0790E+01 H1 836 1.008000 0.423800 1.6440E+01 -1.1994E+00 1.0709E+01 H2 837 1.008000 0.423800 1.4907E+01 -7.4251E-01 1.1036E+01 O6 838 15.999400 -0.847600 7.8545E+00 1.6731E+01 1.5816E+01 H1 839 1.008000 0.423800 6.9751E+00 1.6269E+01 1.5934E+01 H2 840 1.008000 0.423800 8.0947E+00 1.7211E+01 1.6659E+01 O6 841 15.999400 -0.847600 -1.8784E+01 9.8155E+00 -1.7099E+01 H1 842 1.008000 0.423800 -1.8686E+01 9.6734E+00 -1.8084E+01 H2 843 1.008000 0.423800 -1.8700E+01 8.9386E+00 -1.6626E+01 O6 844 15.999400 -0.847600 9.4069E+00 1.2528E+01 1.0706E+01 H1 845 1.008000 0.423800 8.6835E+00 1.3180E+01 1.0934E+01 H2 846 1.008000 0.423800 8.9978E+00 1.1685E+01 1.0358E+01 O6 847 15.999400 -0.847600 4.2501E+00 -1.3036E+01 -1.7294E+01 H1 848 1.008000 0.423800 5.1248E+00 -1.2696E+01 -1.6949E+01 H2 849 1.008000 0.423800 4.0125E+00 -1.2552E+01 -1.8136E+01 O6 850 15.999400 -0.847600 3.8199E+00 -1.8928E+01 1.7224E+00 H1 851 1.008000 0.423800 3.3700E+00 -1.8687E+01 8.6259E-01 H2 852 1.008000 0.423800 3.4083E+00 1.9336E+01 2.0911E+00 O6 853 15.999400 -0.847600 1.9487E+01 2.8305E+00 1.6315E+01 H1 854 1.008000 0.423800 -1.9146E+01 2.0072E+00 1.6641E+01 H2 855 1.008000 0.423800 1.8874E+01 3.1721E+00 1.7028E+01 O6 856 15.999400 -0.847600 2.0661E+00 -7.3470E+00 -1.2724E+01 H1 857 1.008000 0.423800 2.2381E+00 -7.4762E+00 -1.3700E+01 H2 858 1.008000 0.423800 1.2110E+00 -6.8437E+00 -1.2600E+01 O6 859 15.999400 -0.847600 1.2091E+01 4.5383E+00 -5.6945E+00 H1 860 1.008000 0.423800 1.2639E+01 5.3380E+00 -5.9385E+00 H2 861 1.008000 0.423800 1.1670E+01 4.1583E+00 -6.5186E+00 O6 862 15.999400 -0.847600 1.1824E+01 -5.9646E+00 -1.9233E+01 H1 863 1.008000 0.423800 1.1211E+01 -5.6966E+00 1.9121E+01 H2 864 1.008000 0.423800 1.1758E+01 -5.2983E+00 -1.8490E+01 O6 865 15.999400 -0.847600 1.7053E+01 -1.3669E+01 -1.6831E+01 H1 866 1.008000 0.423800 1.6936E+01 -1.2920E+01 -1.7483E+01 H2 867 1.008000 0.423800 1.6283E+01 -1.3677E+01 -1.6192E+01 O6 868 15.999400 -0.847600 -1.8568E+01 -6.4244E-01 -2.5949E+00 H1 869 1.008000 0.423800 -1.8256E+01 -8.7729E-01 -3.5154E+00 H2 870 1.008000 0.423800 -1.9455E+01 -1.8360E-01 -2.6511E+00 O6 871 15.999400 -0.847600 -8.1373E+00 8.1370E-01 -1.5440E+01 H1 872 1.008000 0.423800 -8.6282E+00 1.5259E+00 -1.5941E+01 H2 873 1.008000 0.423800 -8.7655E+00 3.5612E-01 -1.4810E+01 O6 874 15.999400 -0.847600 -5.6698E+00 6.5574E+00 -1.9319E+01 H1 875 1.008000 0.423800 -6.2069E+00 7.0275E+00 1.9078E+01 H2 876 1.008000 0.423800 -6.0478E+00 6.7618E+00 -1.8416E+01 O6 877 15.999400 -0.847600 -1.7281E+01 8.9937E+00 -1.0887E+01 H1 878 1.008000 0.423800 -1.6882E+01 8.2815E+00 -1.0310E+01 H2 879 1.008000 0.423800 -1.8275E+01 8.8837E+00 -1.0914E+01 O6 880 15.999400 -0.847600 -9.0776E+00 -1.1483E+01 -5.7472E+00 H1 881 1.008000 0.423800 -9.6142E+00 -1.1306E+01 -4.9221E+00 H2 882 1.008000 0.423800 -9.5897E+00 -1.2091E+01 -6.3541E+00 O6 883 15.999400 -0.847600 2.6838E+00 -6.9362E+00 1.1270E+01 H1 884 1.008000 0.423800 2.8897E+00 -7.6727E+00 1.0626E+01 H2 885 1.008000 0.423800 2.3645E+00 -6.1330E+00 1.0767E+01 O6 886 15.999400 -0.847600 -7.9865E+00 -1.2764E+01 -1.5520E+00 H1 887 1.008000 0.423800 -7.3745E+00 -1.2094E+01 -1.9727E+00 H2 888 1.008000 0.423800 -8.9359E+00 -1.2510E+01 -1.7372E+00 O6 889 15.999400 -0.847600 -3.7807E+00 1.0600E+01 8.9555E+00 H1 890 1.008000 0.423800 -3.1231E+00 9.9081E+00 9.2546E+00 H2 891 1.008000 0.423800 -3.5734E+00 1.1471E+01 9.4001E+00 O6 892 15.999400 -0.847600 2.1150E-01 1.0423E+01 5.7011E+00 H1 893 1.008000 0.423800 7.0089E-01 1.0860E+01 4.9462E+00 H2 894 1.008000 0.423800 -2.6581E-01 9.6117E+00 5.3638E+00 O6 895 15.999400 -0.847600 -1.6019E+01 -1.1775E+01 2.0818E+00 H1 896 1.008000 0.423800 -1.5066E+01 -1.1723E+01 1.7822E+00 H2 897 1.008000 0.423800 -1.6105E+01 -1.1365E+01 2.9896E+00 O6 898 15.999400 -0.847600 5.3789E+00 -1.3540E+01 1.0735E+01 H1 899 1.008000 0.423800 4.4438E+00 -1.3768E+01 1.1007E+01 H2 900 1.008000 0.423800 5.8790E+00 -1.4380E+01 1.0525E+01 O6 901 15.999400 -0.847600 -1.0584E+01 1.0299E+01 1.6855E+01 H1 902 1.008000 0.423800 -1.0038E+01 9.6773E+00 1.6294E+01 H2 903 1.008000 0.423800 -1.0560E+01 9.9956E+00 1.7808E+01 O6 904 15.999400 -0.847600 -6.9592E+00 -1.6863E+01 -1.3103E+01 H1 905 1.008000 0.423800 -7.8927E+00 -1.6622E+01 -1.3369E+01 H2 906 1.008000 0.423800 -6.4918E+00 -1.6050E+01 -1.2755E+01 O6 907 15.999400 -0.847600 9.7822E+00 5.6843E+00 1.6449E+01 H1 908 1.008000 0.423800 1.0275E+01 5.0321E+00 1.5873E+01 H2 909 1.008000 0.423800 8.8631E+00 5.3369E+00 1.6635E+01 O6 910 15.999400 -0.847600 -1.1438E+01 1.0633E+01 -5.7711E+00 H1 911 1.008000 0.423800 -1.2034E+01 9.8718E+00 -6.0283E+00 H2 912 1.008000 0.423800 -1.1138E+01 1.1114E+01 -6.5947E+00 O6 913 15.999400 -0.847600 -1.1624E+01 2.9761E+00 -1.1130E+01 H1 914 1.008000 0.423800 -1.2529E+01 2.8458E+00 -1.1534E+01 H2 915 1.008000 0.423800 -1.1713E+01 3.4652E+00 -1.0262E+01 O6 916 15.999400 -0.847600 -1.3907E+00 1.8532E+01 -1.0006E+01 H1 917 1.008000 0.423800 -8.4108E-01 1.8002E+01 -1.0653E+01 H2 918 1.008000 0.423800 -8.0839E-01 1.9199E+01 -9.5423E+00 O6 919 15.999400 -0.847600 -1.1309E+00 -5.4739E+00 -1.6013E+01 H1 920 1.008000 0.423800 -5.3148E-01 -4.9639E+00 -1.5396E+01 H2 921 1.008000 0.423800 -1.6160E+00 -4.8349E+00 -1.6610E+01 O6 922 15.999400 -0.847600 2.8528E+00 -1.5691E+01 -1.0241E+01 H1 923 1.008000 0.423800 3.2199E+00 -1.4786E+01 -1.0026E+01 H2 924 1.008000 0.423800 2.0393E+00 -1.5593E+01 -1.0814E+01 O6 925 15.999400 -0.847600 -1.5241E+00 6.4693E+00 7.5011E+00 H1 926 1.008000 0.423800 -7.2573E-01 5.8673E+00 7.5181E+00 H2 927 1.008000 0.423800 -2.3507E+00 5.9229E+00 7.3667E+00 O6 928 15.999400 -0.847600 -8.4559E+00 1.4469E+00 1.2023E+01 H1 929 1.008000 0.423800 -9.2134E+00 1.3242E+00 1.1382E+01 H2 930 1.008000 0.423800 -7.7927E+00 2.0878E+00 1.1637E+01 O6 931 15.999400 -0.847600 -1.4768E+01 1.0001E+01 -4.4603E+00 H1 932 1.008000 0.423800 -1.4372E+01 9.1091E+00 -4.6779E+00 H2 933 1.008000 0.423800 -1.4453E+01 1.0294E+01 -3.5575E+00 O6 934 15.999400 -0.847600 5.0617E+00 1.4208E+01 1.7729E+01 H1 935 1.008000 0.423800 4.1813E+00 1.3733E+01 1.7722E+01 H2 936 1.008000 0.423800 5.0222E+00 1.4975E+01 1.8370E+01 O6 937 15.999400 -0.847600 1.1291E+01 -1.5828E+01 -3.4046E+00 H1 938 1.008000 0.423800 1.2269E+01 -1.5815E+01 -3.1995E+00 H2 939 1.008000 0.423800 1.1125E+01 -1.5352E+01 -4.2682E+00 O6 940 15.999400 -0.847600 -5.6760E-01 1.0453E+01 1.2752E+01 H1 941 1.008000 0.423800 7.6322E-02 1.0974E+01 1.2191E+01 H2 942 1.008000 0.423800 -8.2894E-01 1.0995E+01 1.3550E+01 O6 943 15.999400 -0.847600 -4.5055E-01 -1.1205E+01 8.1860E+00 H1 944 1.008000 0.423800 -1.4291E-01 -1.1682E+01 7.3629E+00 H2 945 1.008000 0.423800 3.4161E-01 -1.0961E+01 8.7453E+00 O6 946 15.999400 -0.847600 -2.9911E+00 -6.1928E+00 -8.1554E+00 H1 947 1.008000 0.423800 -2.8566E+00 -5.4649E+00 -8.8278E+00 H2 948 1.008000 0.423800 -3.5873E+00 -5.8640E+00 -7.4230E+00 O6 949 15.999400 -0.847600 1.3070E+01 -8.8432E+00 7.9596E-03 H1 950 1.008000 0.423800 1.3600E+01 -8.8235E+00 -8.3946E-01 H2 951 1.008000 0.423800 1.2827E+01 -9.7882E+00 2.2724E-01 O6 952 15.999400 -0.847600 7.0006E+00 1.2814E+01 -9.9802E+00 H1 953 1.008000 0.423800 7.8267E+00 1.2875E+01 -1.0541E+01 H2 954 1.008000 0.423800 6.5294E+00 1.1953E+01 -1.0173E+01 O6 955 15.999400 -0.847600 1.4654E+01 1.6999E+00 -5.9973E+00 H1 956 1.008000 0.423800 1.4463E+01 8.7692E-01 -5.4623E+00 H2 957 1.008000 0.423800 1.4288E+01 1.5892E+00 -6.9214E+00 O6 958 15.999400 -0.847600 -8.1533E+00 -7.5441E+00 -1.2713E+00 H1 959 1.008000 0.423800 -7.2059E+00 -7.8267E+00 -1.1207E+00 H2 960 1.008000 0.423800 -8.1852E+00 -6.5576E+00 -1.4319E+00 O6 961 15.999400 -0.847600 1.2368E+01 -1.5521E-01 -2.0778E-01 H1 962 1.008000 0.423800 1.3071E+01 -8.5883E-01 -1.0260E-01 H2 963 1.008000 0.423800 1.2737E+01 7.2932E-01 7.8067E-02 O6 964 15.999400 -0.847600 1.1290E+01 1.7395E+00 1.1289E+01 H1 965 1.008000 0.423800 1.0437E+01 1.2263E+00 1.1192E+01 H2 966 1.008000 0.423800 1.1626E+01 1.6518E+00 1.2227E+01 O6 967 15.999400 -0.847600 -1.3938E+01 -1.6254E+00 7.9394E+00 H1 968 1.008000 0.423800 -1.4713E+01 -1.9187E+00 8.4990E+00 H2 969 1.008000 0.423800 -1.3662E+01 -2.3724E+00 7.3345E+00 O6 970 15.999400 -0.847600 1.3711E+01 -2.4768E+00 9.2104E-01 H1 971 1.008000 0.423800 1.4663E+01 -2.7561E+00 1.0453E+00 H2 972 1.008000 0.423800 1.3370E+01 -2.0683E+00 1.7678E+00 O6 973 15.999400 -0.847600 4.0036E+00 -9.4936E+00 -1.5310E+01 H1 974 1.008000 0.423800 3.8382E+00 -1.0294E+01 -1.4734E+01 H2 975 1.008000 0.423800 4.9347E+00 -9.5307E+00 -1.5673E+01 O6 976 15.999400 -0.847600 1.0666E+01 -5.5300E+00 -2.0602E+00 H1 977 1.008000 0.423800 1.0486E+01 -5.2134E+00 -2.9916E+00 H2 978 1.008000 0.423800 1.1484E+01 -5.0763E+00 -1.7060E+00 O6 979 15.999400 -0.847600 2.2055E+00 -9.7176E+00 1.4271E+01 H1 980 1.008000 0.423800 1.7051E+00 -8.8791E+00 1.4055E+01 H2 981 1.008000 0.423800 1.5566E+00 -1.0463E+01 1.4424E+01 O6 982 15.999400 -0.847600 -6.9887E+00 -4.5603E+00 1.5681E+01 H1 983 1.008000 0.423800 -7.2608E+00 -3.8609E+00 1.5020E+01 H2 984 1.008000 0.423800 -7.7303E+00 -4.7067E+00 1.6336E+01 O6 985 15.999400 -0.847600 -2.7465E+00 -9.5032E+00 7.4093E+00 H1 986 1.008000 0.423800 -2.1597E+00 -1.0294E+01 7.5837E+00 H2 987 1.008000 0.423800 -2.3464E+00 -8.9454E+00 6.6822E+00 O6 988 15.999400 -0.847600 3.8868E-01 4.5790E+00 7.6285E+00 H1 989 1.008000 0.423800 6.7015E-01 5.2233E+00 8.3396E+00 H2 990 1.008000 0.423800 1.2625E-01 3.7110E+00 8.0501E+00 O6 991 15.999400 -0.847600 -1.0961E+01 -5.8214E+00 3.3206E+00 H1 992 1.008000 0.423800 -1.0562E+01 -5.8788E+00 2.4053E+00 H2 993 1.008000 0.423800 -1.0296E+01 -5.4161E+00 3.9487E+00 O6 994 15.999400 -0.847600 9.1795E+00 6.0883E+00 3.9199E+00 H1 995 1.008000 0.423800 9.4387E+00 5.9411E+00 2.9653E+00 H2 996 1.008000 0.423800 9.5236E+00 5.3338E+00 4.4787E+00 O6 997 15.999400 -0.847600 1.8056E+01 -3.0974E+00 7.7964E+00 H1 998 1.008000 0.423800 1.8270E+01 -2.1653E+00 8.0893E+00 H2 999 1.008000 0.423800 1.7135E+01 -3.1220E+00 7.4075E+00 O6 1000 15.999400 -0.847600 5.7796E+00 -9.8810E+00 -1.9090E+01 H1 1001 1.008000 0.423800 5.6375E+00 -1.0300E+01 1.9111E+01 H2 1002 1.008000 0.423800 5.5740E+00 -8.9038E+00 -1.9142E+01 O6 1003 15.999400 -0.847600 -7.2902E+00 1.8303E+01 6.1271E+00 H1 1004 1.008000 0.423800 -7.5241E+00 1.9270E+01 6.2255E+00 H2 1005 1.008000 0.423800 -6.5919E+00 1.8059E+01 6.7999E+00 O6 1006 15.999400 -0.847600 -5.2543E+00 -1.3488E+01 -7.5246E+00 H1 1007 1.008000 0.423800 -4.9681E+00 -1.3988E+01 -6.7072E+00 H2 1008 1.008000 0.423800 -5.4053E+00 -1.4133E+01 -8.2739E+00 O6 1009 15.999400 -0.847600 8.7987E+00 -1.7149E+01 -1.2944E+01 H1 1010 1.008000 0.423800 8.2678E+00 -1.7228E+01 -1.3788E+01 H2 1011 1.008000 0.423800 8.1772E+00 -1.7114E+01 -1.2161E+01 O6 1012 15.999400 -0.847600 1.0105E+01 -6.5367E+00 6.7144E+00 H1 1013 1.008000 0.423800 9.6254E+00 -5.9381E+00 6.0726E+00 H2 1014 1.008000 0.423800 9.8371E+00 -6.3049E+00 7.6497E+00 O6 1015 15.999400 -0.847600 -1.1931E+01 3.8941E+00 -8.1743E+00 H1 1016 1.008000 0.423800 -1.1522E+01 4.2749E+00 -7.3450E+00 H2 1017 1.008000 0.423800 -1.1774E+01 2.9070E+00 -8.2005E+00 O6 1018 15.999400 -0.847600 -1.7776E+01 -6.1027E+00 -5.0348E+00 H1 1019 1.008000 0.423800 -1.7667E+01 -6.9440E+00 -5.5643E+00 H2 1020 1.008000 0.423800 -1.6879E+01 -5.7835E+00 -4.7277E+00 O6 1021 15.999400 -0.847600 1.3185E+01 -1.3426E+01 -1.7696E+01 H1 1022 1.008000 0.423800 1.2421E+01 -1.2834E+01 -1.7439E+01 H2 1023 1.008000 0.423800 1.3139E+01 -1.3622E+01 -1.8676E+01 O6 1024 15.999400 -0.847600 -1.0585E+01 5.6655E+00 -1.3080E+01 H1 1025 1.008000 0.423800 -1.1167E+01 6.1588E+00 -1.2434E+01 H2 1026 1.008000 0.423800 -9.8390E+00 5.2208E+00 -1.2585E+01 O6 1027 15.999400 -0.847600 1.4008E+01 -2.4545E+00 -1.3060E+01 H1 1028 1.008000 0.423800 1.3526E+01 -2.6474E+00 -1.2205E+01 H2 1029 1.008000 0.423800 1.4323E+01 -3.3125E+00 -1.3466E+01 O6 1030 15.999400 -0.847600 -1.2888E+01 -1.7777E+01 4.3620E+00 H1 1031 1.008000 0.423800 -1.2783E+01 -1.7885E+01 5.3507E+00 H2 1032 1.008000 0.423800 -1.2557E+01 -1.8600E+01 3.9001E+00 O6 1033 15.999400 -0.847600 -5.4316E+00 4.1033E+00 1.7696E+01 H1 1034 1.008000 0.423800 -5.8862E+00 4.9926E+00 1.7747E+01 H2 1035 1.008000 0.423800 -5.6982E+00 3.5475E+00 1.8483E+01 O6 1036 15.999400 -0.847600 5.3098E+00 5.9153E+00 -1.5760E+01 H1 1037 1.008000 0.423800 5.6816E+00 5.1914E+00 -1.6341E+01 H2 1038 1.008000 0.423800 5.8332E+00 5.9614E+00 -1.4909E+01 O6 1039 15.999400 -0.847600 -1.0806E+01 -1.8334E+01 -1.0500E+01 H1 1040 1.008000 0.423800 -1.1394E+01 -1.7646E+01 -1.0924E+01 H2 1041 1.008000 0.423800 -1.1340E+01 -1.9160E+01 -1.0314E+01 O6 1042 15.999400 -0.847600 -2.6311E+00 9.4194E+00 -5.1763E+00 H1 1043 1.008000 0.423800 -2.9532E+00 1.0232E+01 -5.6628E+00 H2 1044 1.008000 0.423800 -2.5229E+00 9.6335E+00 -4.2055E+00 O6 1045 15.999400 -0.847600 -1.3642E+00 2.9153E+00 -1.1557E+01 H1 1046 1.008000 0.423800 -1.9389E+00 2.2123E+00 -1.1977E+01 H2 1047 1.008000 0.423800 -7.0393E-01 3.2503E+00 -1.2230E+01 O6 1048 15.999400 -0.847600 -1.6297E+01 -8.0715E+00 -6.8944E+00 H1 1049 1.008000 0.423800 -1.5340E+01 -8.0848E+00 -6.6064E+00 H2 1050 1.008000 0.423800 -1.6485E+01 -8.8706E+00 -7.4657E+00 O6 1051 15.999400 -0.847600 1.7205E+01 -2.7397E-02 -9.3072E+00 H1 1052 1.008000 0.423800 1.8155E+01 -2.1009E-01 -9.0541E+00 H2 1053 1.008000 0.423800 1.6902E+01 8.2100E-01 -8.8733E+00 O6 1054 15.999400 -0.847600 1.4586E+00 1.3699E+01 1.4944E+01 H1 1055 1.008000 0.423800 1.2808E+00 1.4561E+01 1.5419E+01 H2 1056 1.008000 0.423800 2.4142E+00 1.3671E+01 1.4651E+01 O6 1057 15.999400 -0.847600 7.0461E+00 -1.4326E+01 -1.9350E+01 H1 1058 1.008000 0.423800 7.0496E+00 -1.3697E+01 -1.8572E+01 H2 1059 1.008000 0.423800 7.3345E+00 -1.3838E+01 1.8924E+01 O6 1060 15.999400 -0.847600 -5.6846E+00 2.4108E+00 1.5501E+01 H1 1061 1.008000 0.423800 -4.7526E+00 2.1662E+00 1.5234E+01 H2 1062 1.008000 0.423800 -5.6707E+00 2.8369E+00 1.6406E+01 O6 1063 15.999400 -0.847600 -1.8464E+01 -7.1729E+00 -2.8212E+00 H1 1064 1.008000 0.423800 -1.9421E+01 -7.1756E+00 -2.5291E+00 H2 1065 1.008000 0.423800 -1.8373E+01 -6.6325E+00 -3.6576E+00 O6 1066 15.999400 -0.847600 -1.0962E+01 1.7073E+01 -1.2251E+01 H1 1067 1.008000 0.423800 -1.0355E+01 1.6565E+01 -1.1639E+01 H2 1068 1.008000 0.423800 -1.0644E+01 1.6974E+01 -1.3194E+01 O6 1069 15.999400 -0.847600 -1.3365E+01 1.5037E+01 1.9371E+01 H1 1070 1.008000 0.423800 -1.2809E+01 1.5845E+01 1.9174E+01 H2 1071 1.008000 0.423800 -1.4318E+01 1.5222E+01 1.9131E+01 O6 1072 15.999400 -0.847600 -1.1414E+01 1.1745E+00 -8.5447E+00 H1 1073 1.008000 0.423800 -1.2019E+01 4.4019E-01 -8.2374E+00 H2 1074 1.008000 0.423800 -1.0594E+01 1.1914E+00 -7.9728E+00 O6 1075 15.999400 -0.847600 -6.4412E-01 -1.6160E+00 1.7906E+01 H1 1076 1.008000 0.423800 -8.6932E-01 -1.5637E+00 1.6933E+01 H2 1077 1.008000 0.423800 -1.4809E+00 -1.7586E+00 1.8434E+01 O6 1078 15.999400 -0.847600 -7.3153E+00 -7.5463E+00 1.6314E+01 H1 1079 1.008000 0.423800 -7.2422E+00 -6.8345E+00 1.7012E+01 H2 1080 1.008000 0.423800 -7.6835E+00 -7.1509E+00 1.5472E+01 O6 1081 15.999400 -0.847600 -1.2653E+01 -5.3623E-01 1.0304E+01 H1 1082 1.008000 0.423800 -1.2682E+01 -1.1404E+00 1.1100E+01 H2 1083 1.008000 0.423800 -1.3077E+01 -9.9415E-01 9.5225E+00 O6 1084 15.999400 -0.847600 1.9055E+01 -1.2398E+01 5.8561E+00 H1 1085 1.008000 0.423800 1.8210E+01 -1.2888E+01 5.6404E+00 H2 1086 1.008000 0.423800 1.9026E+01 -1.1487E+01 5.4462E+00 O6 1087 15.999400 -0.847600 -2.6510E+00 -1.8787E+01 1.8884E+01 H1 1088 1.008000 0.423800 -2.0625E+00 -1.8534E+01 -1.9445E+01 H2 1089 1.008000 0.423800 -3.5980E+00 -1.8545E+01 1.9097E+01 O6 1090 15.999400 -0.847600 4.7885E-01 3.1499E+00 -1.0634E-01 H1 1091 1.008000 0.423800 1.0592E-01 2.2552E+00 1.3939E-01 H2 1092 1.008000 0.423800 1.4529E+00 3.0594E+00 -3.1391E-01 O6 1093 15.999400 -0.847600 7.2728E-01 1.4050E+01 -1.7677E+01 H1 1094 1.008000 0.423800 -2.6802E-01 1.3959E+01 -1.7642E+01 H2 1095 1.008000 0.423800 1.1184E+00 1.3766E+01 -1.6802E+01 O6 1096 15.999400 -0.847600 5.1660E+00 -1.1641E+01 1.2794E+01 H1 1097 1.008000 0.423800 5.6007E+00 -1.1929E+01 1.1940E+01 H2 1098 1.008000 0.423800 4.8776E+00 -1.0687E+01 1.2715E+01 O6 1099 15.999400 -0.847600 1.5341E+01 8.5085E-01 1.0884E+00 H1 1100 1.008000 0.423800 1.4879E+01 1.0467E+00 2.2382E-01 H2 1101 1.008000 0.423800 1.6259E+01 1.2476E+00 1.0725E+00 O6 1102 15.999400 -0.847600 1.0553E+01 -1.2876E+01 -1.9311E+01 H1 1103 1.008000 0.423800 9.8654E+00 -1.2543E+01 -1.8666E+01 H2 1104 1.008000 0.423800 1.1069E+01 -1.2101E+01 1.9420E+01 O6 1105 15.999400 -0.847600 7.5446E+00 1.8876E-01 -1.8257E+01 H1 1106 1.008000 0.423800 8.3150E+00 -1.2482E-01 -1.8812E+01 H2 1107 1.008000 0.423800 7.7556E+00 5.5842E-02 -1.7289E+01 O6 1108 15.999400 -0.847600 1.7578E+00 -1.9411E+01 -3.4871E+00 H1 1109 1.008000 0.423800 8.9518E-01 1.9366E+01 -3.8784E+00 H2 1110 1.008000 0.423800 2.3124E+00 -1.8989E+01 -4.2040E+00 O6 1111 15.999400 -0.847600 7.0636E+00 -1.8949E+01 7.7063E+00 H1 1112 1.008000 0.423800 6.5403E+00 -1.8877E+01 8.5553E+00 H2 1113 1.008000 0.423800 7.9381E+00 -1.9397E+01 7.8911E+00 O6 1114 15.999400 -0.847600 -6.6352E+00 5.7935E+00 -6.8571E+00 H1 1115 1.008000 0.423800 -6.5482E+00 6.7686E+00 -6.6530E+00 H2 1116 1.008000 0.423800 -5.8468E+00 5.4938E+00 -7.3942E+00 O6 1117 15.999400 -0.847600 2.7563E+00 6.5319E+00 -1.5603E+01 H1 1118 1.008000 0.423800 3.7445E+00 6.3792E+00 -1.5617E+01 H2 1119 1.008000 0.423800 2.4515E+00 6.8237E+00 -1.6510E+01 O6 1120 15.999400 -0.847600 -1.3851E+01 1.3617E+01 1.3328E+01 H1 1121 1.008000 0.423800 -1.3970E+01 1.4610E+01 1.3313E+01 H2 1122 1.008000 0.423800 -1.3402E+01 1.3348E+01 1.4180E+01 O6 1123 15.999400 -0.847600 -1.1866E+01 5.1480E-01 1.6020E+01 H1 1124 1.008000 0.423800 -1.2110E+01 -2.4123E-01 1.6627E+01 H2 1125 1.008000 0.423800 -1.1890E+01 2.0081E-01 1.5071E+01 O6 1126 15.999400 -0.847600 1.4362E+01 2.8832E+00 -1.5148E+01 H1 1127 1.008000 0.423800 1.4188E+01 2.5444E+00 -1.4224E+01 H2 1128 1.008000 0.423800 1.3510E+01 2.8772E+00 -1.5671E+01 O6 1129 15.999400 -0.847600 -1.5749E+01 3.6781E+00 -5.0510E+00 H1 1130 1.008000 0.423800 -1.5740E+01 3.9219E+00 -4.0812E+00 H2 1131 1.008000 0.423800 -1.5544E+01 2.7047E+00 -5.1518E+00 O6 1132 15.999400 -0.847600 2.2758E-03 -1.7554E+01 4.3429E-01 H1 1133 1.008000 0.423800 9.4692E-01 -1.7844E+01 2.7997E-01 H2 1134 1.008000 0.423800 -5.8862E-01 -1.8359E+01 4.8734E-01 O6 1135 15.999400 -0.847600 1.7641E+01 1.2383E+01 -1.9112E+01 H1 1136 1.008000 0.423800 1.7359E+01 1.1851E+01 -1.8314E+01 H2 1137 1.008000 0.423800 1.6850E+01 1.2866E+01 -1.9488E+01 O6 1138 15.999400 -0.847600 -1.9115E+01 -1.4832E+01 -1.2652E+01 H1 1139 1.008000 0.423800 1.9353E+01 -1.5378E+01 -1.3206E+01 H2 1140 1.008000 0.423800 -1.8765E+01 -1.4072E+01 -1.3199E+01 O6 1141 15.999400 -0.847600 1.6057E+01 -1.8430E+01 1.6953E+01 H1 1142 1.008000 0.423800 1.5337E+01 -1.7748E+01 1.7085E+01 H2 1143 1.008000 0.423800 1.6907E+01 -1.7971E+01 1.6696E+01 O6 1144 15.999400 -0.847600 -7.6353E+00 1.8619E+01 -3.5479E+00 H1 1145 1.008000 0.423800 -7.7077E+00 1.7721E+01 -3.1141E+00 H2 1146 1.008000 0.423800 -8.5187E+00 1.8870E+01 -3.9435E+00 O6 1147 15.999400 -0.847600 1.3537E+01 3.0313E+00 -3.7728E+00 H1 1148 1.008000 0.423800 1.3896E+01 2.2842E+00 -4.3323E+00 H2 1149 1.008000 0.423800 1.3182E+01 3.7522E+00 -4.3677E+00 O6 1150 15.999400 -0.847600 4.0012E+00 -1.2284E+01 1.5208E+01 H1 1151 1.008000 0.423800 4.6761E+00 -1.2727E+01 1.5798E+01 H2 1152 1.008000 0.423800 4.4081E+00 -1.2104E+01 1.4312E+01 O6 1153 15.999400 -0.847600 -6.2851E+00 -1.8795E+01 5.6085E-01 H1 1154 1.008000 0.423800 -6.5386E+00 -1.9150E+01 1.4610E+00 H2 1155 1.008000 0.423800 -5.4860E+00 -1.8201E+01 6.4970E-01 O6 1156 15.999400 -0.847600 3.1699E+00 1.3384E+01 -2.5846E+00 H1 1157 1.008000 0.423800 2.7643E+00 1.2847E+01 -1.8452E+00 H2 1158 1.008000 0.423800 3.8038E+00 1.2811E+01 -3.1041E+00 O6 1159 15.999400 -0.847600 4.0483E+00 1.7381E+01 -6.1646E+00 H1 1160 1.008000 0.423800 3.0931E+00 1.7519E+01 -5.9024E+00 H2 1161 1.008000 0.423800 4.2457E+00 1.6401E+01 -6.2023E+00 O6 1162 15.999400 -0.847600 1.5610E+01 1.5075E+01 -6.4488E+00 H1 1163 1.008000 0.423800 1.5412E+01 1.5641E+01 -7.2489E+00 H2 1164 1.008000 0.423800 1.5758E+01 1.4129E+01 -6.7383E+00 O6 1165 15.999400 -0.847600 1.6644E+01 -1.0379E+01 -6.6497E+00 H1 1166 1.008000 0.423800 1.6461E+01 -9.6431E+00 -5.9982E+00 H2 1167 1.008000 0.423800 1.6686E+01 -1.1252E+01 -6.1634E+00 O6 1168 15.999400 -0.847600 7.3186E+00 1.7661E+01 1.8353E+01 H1 1169 1.008000 0.423800 8.0151E+00 1.8086E+01 1.8932E+01 H2 1170 1.008000 0.423800 6.6575E+00 1.7178E+01 1.8927E+01 O6 1171 15.999400 -0.847600 -1.4582E+01 1.5127E+01 7.5179E+00 H1 1172 1.008000 0.423800 -1.4242E+01 1.4669E+01 8.3393E+00 H2 1173 1.008000 0.423800 -1.3930E+01 1.5000E+01 6.7711E+00 O6 1174 15.999400 -0.847600 9.7732E+00 -3.1552E+00 1.5159E+01 H1 1175 1.008000 0.423800 1.0350E+01 -3.9693E+00 1.5227E+01 H2 1176 1.008000 0.423800 9.1158E+00 -3.2739E+00 1.4415E+01 O6 1177 15.999400 -0.847600 1.1094E+01 -1.7196E+00 1.3007E+01 H1 1178 1.008000 0.423800 1.0873E+01 -2.1457E+00 1.3884E+01 H2 1179 1.008000 0.423800 1.0269E+01 -1.6696E+00 1.2443E+01 O6 1180 15.999400 -0.847600 7.7703E+00 -7.8780E-01 -1.1465E+01 H1 1181 1.008000 0.423800 6.9733E+00 -9.9901E-01 -1.2031E+01 H2 1182 1.008000 0.423800 7.8774E+00 2.0412E-01 -1.1398E+01 O6 1183 15.999400 -0.847600 -1.0779E+01 -4.8979E+00 7.8036E+00 H1 1184 1.008000 0.423800 -1.0252E+01 -5.6750E+00 7.4597E+00 H2 1185 1.008000 0.423800 -1.0288E+01 -4.4727E+00 8.5641E+00 O6 1186 15.999400 -0.847600 7.3697E+00 5.0054E+00 -3.1281E+00 H1 1187 1.008000 0.423800 6.9156E+00 4.2150E+00 -3.5393E+00 H2 1188 1.008000 0.423800 6.7101E+00 5.7489E+00 -3.0184E+00 O6 1189 15.999400 -0.847600 6.9457E+00 -6.6711E+00 -5.0323E+00 H1 1190 1.008000 0.423800 7.0119E+00 -6.8948E+00 -4.0599E+00 H2 1191 1.008000 0.423800 6.5262E+00 -7.4353E+00 -5.5223E+00 O6 1192 15.999400 -0.847600 -5.1742E+00 1.6157E+01 2.1056E+00 H1 1193 1.008000 0.423800 -5.5144E+00 1.5284E+01 1.7549E+00 H2 1194 1.008000 0.423800 -4.3174E+00 1.6390E+01 1.6455E+00 O6 1195 15.999400 -0.847600 -1.7044E+01 1.3312E+00 -1.5962E+01 H1 1196 1.008000 0.423800 -1.7975E+01 1.0205E+00 -1.6152E+01 H2 1197 1.008000 0.423800 -1.6663E+01 1.7626E+00 -1.6780E+01 O6 1198 15.999400 -0.847600 4.9469E+00 -1.0875E+01 -6.2868E+00 H1 1199 1.008000 0.423800 5.8213E+00 -1.1350E+01 -6.3883E+00 H2 1200 1.008000 0.423800 4.3673E+00 -1.1378E+01 -5.6455E+00 O6 1201 15.999400 -0.847600 1.3857E+01 8.0285E+00 -3.2835E+00 H1 1202 1.008000 0.423800 1.4379E+01 7.1776E+00 -3.3486E+00 H2 1203 1.008000 0.423800 1.4343E+01 8.6721E+00 -2.6917E+00 O6 1204 15.999400 -0.847600 -3.4145E+00 8.5855E+00 3.5449E+00 H1 1205 1.008000 0.423800 -2.6471E+00 8.5048E+00 4.1810E+00 H2 1206 1.008000 0.423800 -3.2240E+00 8.0486E+00 2.7231E+00 O6 1207 15.999400 -0.847600 -1.5294E+01 -3.3911E+00 6.7593E-01 H1 1208 1.008000 0.423800 -1.4601E+01 -2.6761E+00 5.8333E-01 H2 1209 1.008000 0.423800 -1.6102E+01 -3.1432E+00 1.4124E-01 O6 1210 15.999400 -0.847600 -1.5881E+01 5.6536E-01 1.0924E+01 H1 1211 1.008000 0.423800 -1.4890E+01 4.5388E-01 1.0845E+01 H2 1212 1.008000 0.423800 -1.6121E+01 1.5240E+00 1.0772E+01 O6 1213 15.999400 -0.847600 -1.8383E+01 5.0160E+00 -1.1137E+01 H1 1214 1.008000 0.423800 -1.8878E+01 4.1609E+00 -1.1293E+01 H2 1215 1.008000 0.423800 -1.8229E+01 5.4756E+00 -1.2012E+01 O6 1216 15.999400 -0.847600 9.7242E+00 1.5720E+01 2.6351E+00 H1 1217 1.008000 0.423800 9.4163E+00 1.6366E+01 1.9372E+00 H2 1218 1.008000 0.423800 1.0503E+01 1.5198E+01 2.2858E+00 O6 1219 15.999400 -0.847600 1.8122E+01 -9.5875E+00 -1.5963E+01 H1 1220 1.008000 0.423800 1.8360E+01 -1.0558E+01 -1.5992E+01 H2 1221 1.008000 0.423800 1.7812E+01 -9.3481E+00 -1.5043E+01 O6 1222 15.999400 -0.847600 7.4087E+00 2.5954E+00 2.9669E+00 H1 1223 1.008000 0.423800 8.3988E+00 2.6296E+00 2.8304E+00 H2 1224 1.008000 0.423800 7.0611E+00 3.5206E+00 3.1189E+00 O6 1225 15.999400 -0.847600 -9.8283E+00 8.4117E+00 1.2618E+01 H1 1226 1.008000 0.423800 -1.0598E+01 8.2025E+00 1.2014E+01 H2 1227 1.008000 0.423800 -9.4818E+00 9.3266E+00 1.2410E+01 O6 1228 15.999400 -0.847600 4.2887E+00 -6.1688E+00 -1.1768E+01 H1 1229 1.008000 0.423800 3.3414E+00 -6.3651E+00 -1.2021E+01 H2 1230 1.008000 0.423800 4.4209E+00 -5.1790E+00 -1.1714E+01 O6 1231 15.999400 -0.847600 -2.2436E+00 -1.2916E+01 -6.3139E+00 H1 1232 1.008000 0.423800 -1.3344E+00 -1.2502E+01 -6.2773E+00 H2 1233 1.008000 0.423800 -2.7629E+00 -1.2515E+01 -7.0683E+00 O6 1234 15.999400 -0.847600 -4.7998E+00 1.3693E+01 -8.7118E+00 H1 1235 1.008000 0.423800 -5.1742E+00 1.4306E+01 -8.0155E+00 H2 1236 1.008000 0.423800 -3.8009E+00 1.3709E+01 -8.6669E+00 O6 1237 15.999400 -0.847600 -1.0959E+01 1.5832E+01 1.4557E+01 H1 1238 1.008000 0.423800 -1.0873E+01 1.6679E+01 1.5080E+01 H2 1239 1.008000 0.423800 -1.1339E+01 1.5116E+01 1.5142E+01 O6 1240 15.999400 -0.847600 1.8633E+01 -8.5234E+00 -6.0123E-02 H1 1241 1.008000 0.423800 1.7694E+01 -8.2643E+00 1.6405E-01 H2 1242 1.008000 0.423800 1.8633E+01 -9.4107E+00 -5.2124E-01 O6 1243 15.999400 -0.847600 1.5966E+01 1.1818E+01 -4.5768E+00 H1 1244 1.008000 0.423800 1.5020E+01 1.1855E+01 -4.9001E+00 H2 1245 1.008000 0.423800 1.6163E+01 1.0901E+01 -4.2296E+00 O6 1246 15.999400 -0.847600 7.6731E+00 1.3455E+01 1.6647E+01 H1 1247 1.008000 0.423800 8.1179E+00 1.2858E+01 1.7315E+01 H2 1248 1.008000 0.423800 6.7750E+00 1.3729E+01 1.6991E+01 O6 1249 15.999400 -0.847600 -8.2559E-01 -5.9938E+00 1.3195E+01 H1 1250 1.008000 0.423800 -1.6178E+00 -6.6040E+00 1.3188E+01 H2 1251 1.008000 0.423800 -9.6773E-01 -5.2712E+00 1.3872E+01 O6 1252 15.999400 -0.847600 -9.3552E+00 1.5213E+01 -1.0827E+01 H1 1253 1.008000 0.423800 -8.5039E+00 1.5707E+01 -1.0651E+01 H2 1254 1.008000 0.423800 -9.7926E+00 1.4983E+01 -9.9575E+00 O6 1255 15.999400 -0.847600 -1.3591E+01 1.4161E+00 3.2224E-01 H1 1256 1.008000 0.423800 -1.3433E+01 9.5099E-01 -5.4882E-01 H2 1257 1.008000 0.423800 -1.2790E+01 1.9676E+00 5.5557E-01 O6 1258 15.999400 -0.847600 -2.0357E+00 -7.7658E+00 5.3781E+00 H1 1259 1.008000 0.423800 -2.8998E+00 -7.3123E+00 5.1598E+00 H2 1260 1.008000 0.423800 -1.4454E+00 -7.1342E+00 5.8807E+00 O6 1261 15.999400 -0.847600 -1.5749E+01 1.0663E+01 1.8045E+01 H1 1262 1.008000 0.423800 -1.5689E+01 1.0903E+01 1.7076E+01 H2 1263 1.008000 0.423800 -1.5689E+01 9.6699E+00 1.8147E+01 O6 1264 15.999400 -0.847600 1.4889E+01 2.3673E+00 -1.3529E+00 H1 1265 1.008000 0.423800 1.4106E+01 2.3453E+00 -1.9755E+00 H2 1266 1.008000 0.423800 1.5083E+01 3.3139E+00 -1.0958E+00 O6 1267 15.999400 -0.847600 -1.6798E+01 1.6280E+01 6.2125E+00 H1 1268 1.008000 0.423800 -1.5931E+01 1.6093E+01 6.6731E+00 H2 1269 1.008000 0.423800 -1.6854E+01 1.5738E+01 5.3741E+00 O6 1270 15.999400 -0.847600 -1.3528E+01 -1.5147E+01 1.6828E+01 H1 1271 1.008000 0.423800 -1.3623E+01 -1.5037E+01 1.7817E+01 H2 1272 1.008000 0.423800 -1.4078E+01 -1.5924E+01 1.6524E+01 O6 1273 15.999400 -0.847600 -8.6685E+00 5.7468E+00 1.3536E+01 H1 1274 1.008000 0.423800 -9.3677E+00 5.9809E+00 1.2860E+01 H2 1275 1.008000 0.423800 -9.0244E+00 5.0468E+00 1.4155E+01 O6 1276 15.999400 -0.847600 9.3119E+00 2.6124E+00 -1.7088E+01 H1 1277 1.008000 0.423800 8.9603E+00 2.5301E+00 -1.8020E+01 H2 1278 1.008000 0.423800 8.5725E+00 2.4415E+00 -1.6436E+01 O6 1279 15.999400 -0.847600 1.9435E+01 1.5507E+01 -4.4325E+00 H1 1280 1.008000 0.423800 -1.8972E+01 1.5699E+01 -3.7350E+00 H2 1281 1.008000 0.423800 1.8580E+01 1.5966E+01 -4.1902E+00 O6 1282 15.999400 -0.847600 -1.3667E+01 -1.4154E+01 -1.5751E+01 H1 1283 1.008000 0.423800 -1.4609E+01 -1.3941E+01 -1.6009E+01 H2 1284 1.008000 0.423800 -1.3586E+01 -1.4151E+01 -1.4754E+01 O6 1285 15.999400 -0.847600 -1.7304E+01 -3.6553E+00 -8.0854E+00 H1 1286 1.008000 0.423800 -1.7412E+01 -4.6480E+00 -8.0306E+00 H2 1287 1.008000 0.423800 -1.7787E+01 -3.3119E+00 -8.8911E+00 O6 1288 15.999400 -0.847600 -1.2856E+01 -6.2109E+00 -4.0385E+00 H1 1289 1.008000 0.423800 -1.2429E+01 -6.7426E+00 -3.3071E+00 H2 1290 1.008000 0.423800 -1.2204E+01 -5.5365E+00 -4.3847E+00 O6 1291 15.999400 -0.847600 3.0099E+00 1.3959E+01 -1.2221E+01 H1 1292 1.008000 0.423800 2.1458E+00 1.4081E+01 -1.2709E+01 H2 1293 1.008000 0.423800 3.2622E+00 1.2991E+01 -1.2227E+01 O6 1294 15.999400 -0.847600 1.0317E+01 1.4567E+01 -1.7724E+01 H1 1295 1.008000 0.423800 1.0979E+01 1.4565E+01 -1.8474E+01 H2 1296 1.008000 0.423800 9.6033E+00 1.3892E+01 -1.7909E+01 O6 1297 15.999400 -0.847600 -8.5481E+00 1.5873E+01 6.1714E+00 H1 1298 1.008000 0.423800 -8.0718E+00 1.6752E+01 6.1348E+00 H2 1299 1.008000 0.423800 -9.0408E+00 1.5797E+01 7.0382E+00 O6 1300 15.999400 -0.847600 -8.4368E-01 -1.0487E+01 -1.0352E+01 H1 1301 1.008000 0.423800 -1.1948E+00 -9.8621E+00 -9.6545E+00 H2 1302 1.008000 0.423800 -6.1170E-04 -1.0114E+01 -1.0739E+01 O6 1303 15.999400 -0.847600 4.9970E+00 -4.6827E+00 -1.2226E+00 H1 1304 1.008000 0.423800 4.7500E+00 -5.4310E+00 -1.8383E+00 H2 1305 1.008000 0.423800 5.8044E+00 -4.2116E+00 -1.5777E+00 O6 1306 15.999400 -0.847600 1.6896E+01 -6.7283E+00 1.7232E+01 H1 1307 1.008000 0.423800 1.5931E+01 -6.9810E+00 1.7306E+01 H2 1308 1.008000 0.423800 1.7364E+01 -7.3748E+00 1.6630E+01 O6 1309 15.999400 -0.847600 7.7432E+00 -1.7713E+01 -1.5465E+01 H1 1310 1.008000 0.423800 7.7623E+00 -1.7069E+01 -1.6230E+01 H2 1311 1.008000 0.423800 8.3756E+00 -1.8465E+01 -1.5647E+01 O6 1312 15.999400 -0.847600 1.4922E-01 -3.3355E+00 1.2391E+01 H1 1313 1.008000 0.423800 -4.7660E-01 -2.5556E+00 1.2407E+01 H2 1314 1.008000 0.423800 -3.7009E-01 -4.1819E+00 1.2509E+01 O6 1315 15.999400 -0.847600 1.3751E+01 -9.7557E+00 1.1753E+01 H1 1316 1.008000 0.423800 1.4492E+01 -1.0402E+01 1.1572E+01 H2 1317 1.008000 0.423800 1.2931E+01 -1.0258E+01 1.2028E+01 O6 1318 15.999400 -0.847600 -8.8949E+00 1.1129E+01 1.2648E+01 H1 1319 1.008000 0.423800 -8.3992E+00 1.1998E+01 1.2664E+01 H2 1320 1.008000 0.423800 -9.8693E+00 1.1304E+01 1.2507E+01 O6 1321 15.999400 -0.847600 -3.2586E+00 -1.6151E+00 1.9453E+01 H1 1322 1.008000 0.423800 -3.6615E+00 -2.4011E+00 1.8984E+01 H2 1323 1.008000 0.423800 -3.9235E+00 -8.6887E-01 1.9484E+01 O6 1324 15.999400 -0.847600 -5.6528E+00 1.5985E+01 -3.7356E+00 H1 1325 1.008000 0.423800 -6.0484E+00 1.6096E+01 -2.8238E+00 H2 1326 1.008000 0.423800 -5.1016E+00 1.6789E+01 -3.9592E+00 O6 1327 15.999400 -0.847600 -3.2913E+00 -4.6092E+00 1.8536E+01 H1 1328 1.008000 0.423800 -3.9270E+00 -5.2263E+00 1.9000E+01 H2 1329 1.008000 0.423800 -2.3785E+00 -5.0175E+00 1.8526E+01 O6 1330 15.999400 -0.847600 1.6516E+01 -1.3447E+01 6.3208E+00 H1 1331 1.008000 0.423800 1.5670E+01 -1.3783E+01 5.9061E+00 H2 1332 1.008000 0.423800 1.6867E+01 -1.4130E+01 6.9613E+00 O6 1333 15.999400 -0.847600 -1.3980E+00 -1.6539E+01 -1.1870E+01 H1 1334 1.008000 0.423800 -1.6782E+00 -1.6247E+01 -1.0955E+01 H2 1335 1.008000 0.423800 -4.0045E-01 -1.6596E+01 -1.1910E+01 O6 1336 15.999400 -0.847600 -1.5658E+01 -1.5298E+01 -6.1028E+00 H1 1337 1.008000 0.423800 -1.4708E+01 -1.5093E+01 -5.8679E+00 H2 1338 1.008000 0.423800 -1.6223E+01 -1.5250E+01 -5.2790E+00 O6 1339 15.999400 -0.847600 -1.6687E+01 9.5751E+00 7.8821E+00 H1 1340 1.008000 0.423800 -1.5776E+01 9.4216E+00 7.4996E+00 H2 1341 1.008000 0.423800 -1.6892E+01 8.8618E+00 8.5525E+00 O6 1342 15.999400 -0.847600 -5.7903E+00 9.5785E+00 -1.3287E+01 H1 1343 1.008000 0.423800 -6.6883E+00 9.8388E+00 -1.2932E+01 H2 1344 1.008000 0.423800 -5.1075E+00 1.0244E+01 -1.2987E+01 O6 1345 15.999400 -0.847600 -1.8321E+01 -1.2118E+01 5.3263E-01 H1 1346 1.008000 0.423800 -1.8807E+01 -1.2977E+01 3.7282E-01 H2 1347 1.008000 0.423800 -1.7477E+01 -1.2302E+01 1.0380E+00 O6 1348 15.999400 -0.847600 1.2081E+01 -1.5408E+01 1.5564E+01 H1 1349 1.008000 0.423800 1.1432E+01 -1.5941E+01 1.6106E+01 H2 1350 1.008000 0.423800 1.2102E+01 -1.5759E+01 1.4628E+01 O6 1351 15.999400 -0.847600 1.1226E+01 6.6775E+00 -1.4561E+01 H1 1352 1.008000 0.423800 1.1122E+01 7.5801E+00 -1.4979E+01 H2 1353 1.008000 0.423800 1.1515E+01 6.7820E+00 -1.3610E+01 O6 1354 15.999400 -0.847600 -4.1482E+00 -7.8886E-02 -2.6557E-01 H1 1355 1.008000 0.423800 -3.6001E+00 -8.7674E-01 -1.4463E-02 H2 1356 1.008000 0.423800 -4.1755E+00 6.6384E-03 -1.2615E+00 O6 1357 15.999400 -0.847600 5.3988E+00 1.3812E+00 1.7275E+01 H1 1358 1.008000 0.423800 5.7606E+00 1.8632E+00 1.6477E+01 H2 1359 1.008000 0.423800 5.6404E+00 1.8833E+00 1.8105E+01 O6 1360 15.999400 -0.847600 -1.4786E+01 -2.8415E-01 -1.5523E+01 H1 1361 1.008000 0.423800 -1.5534E+01 3.5427E-01 -1.5703E+01 H2 1362 1.008000 0.423800 -1.5116E+01 -1.0289E+00 -1.4943E+01 O6 1363 15.999400 -0.847600 -7.3484E+00 -1.2382E-01 3.7723E+00 H1 1364 1.008000 0.423800 -7.0260E+00 -1.0589E-02 2.8325E+00 H2 1365 1.008000 0.423800 -6.9028E+00 5.5052E-01 4.3611E+00 O6 1366 15.999400 -0.847600 3.9419E+00 -1.7130E+01 1.3152E+01 H1 1367 1.008000 0.423800 3.0530E+00 -1.7575E+01 1.3264E+01 H2 1368 1.008000 0.423800 3.8912E+00 -1.6466E+01 1.2407E+01 O6 1369 15.999400 -0.847600 -1.6317E+00 -1.2675E+00 -4.8103E+00 H1 1370 1.008000 0.423800 -2.0291E+00 -1.3575E+00 -5.7236E+00 H2 1371 1.008000 0.423800 -6.3598E-01 -1.3365E+00 -4.8719E+00 O6 1372 15.999400 -0.847600 1.0774E+00 -8.6662E+00 2.9818E+00 H1 1373 1.008000 0.423800 1.2853E+00 -7.6890E+00 3.0235E+00 H2 1374 1.008000 0.423800 9.8976E-01 -8.9478E+00 2.0262E+00 O6 1375 15.999400 -0.847600 -1.4640E+01 1.9056E+01 8.1962E+00 H1 1376 1.008000 0.423800 -1.4546E+01 1.8553E+01 7.3375E+00 H2 1377 1.008000 0.423800 -1.5453E+01 1.8737E+01 8.6828E+00 O6 1378 15.999400 -0.847600 1.7901E+01 -4.6322E+00 1.5769E+01 H1 1379 1.008000 0.423800 1.7194E+01 -4.3849E+00 1.5107E+01 H2 1380 1.008000 0.423800 1.7527E+01 -5.2822E+00 1.6430E+01 O6 1381 15.999400 -0.847600 1.3804E+01 6.4438E+00 -6.4940E+00 H1 1382 1.008000 0.423800 1.4437E+01 7.0109E+00 -5.9674E+00 H2 1383 1.008000 0.423800 1.4292E+01 5.6512E+00 -6.8599E+00 O6 1384 15.999400 -0.847600 -1.9048E+01 1.1030E+01 -1.6676E-01 H1 1385 1.008000 0.423800 -1.8125E+01 1.1412E+01 -2.2878E-01 H2 1386 1.008000 0.423800 -1.9433E+01 1.0938E+01 -1.0850E+00 O6 1387 15.999400 -0.847600 -1.9436E+01 -1.2261E+01 -7.2408E+00 H1 1388 1.008000 0.423800 1.9445E+01 -1.1751E+01 -8.0732E+00 H2 1389 1.008000 0.423800 -1.8445E+01 -1.2368E+01 -7.1636E+00 O6 1390 15.999400 -0.847600 -1.6748E+01 1.8259E+01 -8.6849E+00 H1 1391 1.008000 0.423800 -1.6259E+01 1.7990E+01 -9.5148E+00 H2 1392 1.008000 0.423800 -1.6837E+01 1.9255E+01 -8.6591E+00 O6 1393 15.999400 -0.847600 1.2302E+01 1.0738E+01 -7.7237E+00 H1 1394 1.008000 0.423800 1.2615E+01 1.1376E+01 -7.0200E+00 H2 1395 1.008000 0.423800 1.2202E+01 1.1222E+01 -8.5926E+00 O6 1396 15.999400 -0.847600 -5.6388E+00 1.3773E+01 5.2570E-01 H1 1397 1.008000 0.423800 -6.1395E+00 1.2984E+01 1.6932E-01 H2 1398 1.008000 0.423800 -5.9298E+00 1.4598E+01 4.2288E-02 O6 1399 15.999400 -0.847600 2.7745E+00 -1.8702E+01 -8.2877E-01 H1 1400 1.008000 0.423800 2.3472E+00 -1.8340E+01 -1.6573E+00 H2 1401 1.008000 0.423800 3.1865E+00 1.9506E+01 -1.0274E+00 O6 1402 15.999400 -0.847600 6.5572E+00 -7.8523E+00 4.3685E+00 H1 1403 1.008000 0.423800 6.4541E+00 -6.8578E+00 4.3850E+00 H2 1404 1.008000 0.423800 7.0014E+00 -8.1272E+00 3.5158E+00 O6 1405 15.999400 -0.847600 1.2360E+01 3.7921E+00 -1.0052E+01 H1 1406 1.008000 0.423800 1.2372E+01 4.7102E+00 -1.0449E+01 H2 1407 1.008000 0.423800 1.3291E+01 3.5244E+00 -9.8029E+00 O6 1408 15.999400 -0.847600 -5.7347E+00 1.7506E+01 8.0746E+00 H1 1409 1.008000 0.423800 -5.7602E+00 1.6557E+01 7.7577E+00 H2 1410 1.008000 0.423800 -4.8281E+00 1.7709E+01 8.4446E+00 O6 1411 15.999400 -0.847600 -1.0785E+01 8.6822E+00 -1.4164E+01 H1 1412 1.008000 0.423800 -1.0161E+01 8.0956E+00 -1.4681E+01 H2 1413 1.008000 0.423800 -1.1412E+01 9.1387E+00 -1.4795E+01 O6 1414 15.999400 -0.847600 1.7508E+01 -4.5004E+00 -1.4696E+01 H1 1415 1.008000 0.423800 1.7486E+01 -3.7226E+00 -1.5324E+01 H2 1416 1.008000 0.423800 1.8116E+01 -5.2060E+00 -1.5060E+01 O6 1417 15.999400 -0.847600 -1.2516E+01 3.1687E+00 1.4944E+01 H1 1418 1.008000 0.423800 -1.2493E+01 2.2239E+00 1.5271E+01 H2 1419 1.008000 0.423800 -1.2939E+01 3.1980E+00 1.4038E+01 O6 1420 15.999400 -0.847600 -1.6461E+01 1.1989E+01 -5.0775E+00 H1 1421 1.008000 0.423800 -1.6673E+01 1.2371E+01 -4.1780E+00 H2 1422 1.008000 0.423800 -1.5797E+01 1.1248E+01 -4.9768E+00 O6 1423 15.999400 -0.847600 5.5718E-01 -1.8287E+01 8.4224E+00 H1 1424 1.008000 0.423800 -3.5682E-01 -1.8341E+01 8.8246E+00 H2 1425 1.008000 0.423800 4.8664E-01 -1.7974E+01 7.4754E+00 O6 1426 15.999400 -0.847600 -6.8572E+00 -7.4824E+00 1.5807E+00 H1 1427 1.008000 0.423800 -7.7806E+00 -7.2039E+00 1.3163E+00 H2 1428 1.008000 0.423800 -6.2004E+00 -7.1380E+00 9.0994E-01 O6 1429 15.999400 -0.847600 3.5301E+00 -7.9233E+00 1.8057E+01 H1 1430 1.008000 0.423800 4.2455E+00 -8.4025E+00 1.7548E+01 H2 1431 1.008000 0.423800 3.8233E+00 -7.7955E+00 1.9004E+01 O6 1432 15.999400 -0.847600 -1.6395E+00 -1.5551E+00 1.5439E+01 H1 1433 1.008000 0.423800 -2.4527E+00 -1.2003E+00 1.4978E+01 H2 1434 1.008000 0.423800 -8.2260E-01 -1.2839E+00 1.4930E+01 O6 1435 15.999400 -0.847600 1.8502E+01 3.4528E+00 8.1199E+00 H1 1436 1.008000 0.423800 1.7941E+01 2.6332E+00 8.0013E+00 H2 1437 1.008000 0.423800 1.9226E+01 3.4638E+00 7.4305E+00 O6 1438 15.999400 -0.847600 -9.3629E+00 3.4205E+00 1.9428E+01 H1 1439 1.008000 0.423800 -9.5318E+00 4.3947E+00 1.9278E+01 H2 1440 1.008000 0.423800 -9.8930E+00 2.8854E+00 1.8770E+01 O6 1441 15.999400 -0.847600 -1.5597E+01 1.4970E+01 -9.8072E+00 H1 1442 1.008000 0.423800 -1.5356E+01 1.4002E+01 -9.8674E+00 H2 1443 1.008000 0.423800 -1.6100E+01 1.5240E+01 -1.0628E+01 O6 1444 15.999400 -0.847600 -2.5423E+00 2.1810E+00 -1.9106E+00 H1 1445 1.008000 0.423800 -1.9377E+00 2.8719E+00 -2.3070E+00 H2 1446 1.008000 0.423800 -2.3504E+00 2.0914E+00 -9.3333E-01 O6 1447 15.999400 -0.847600 1.8531E+01 1.3783E+01 -8.1593E+00 H1 1448 1.008000 0.423800 1.9258E+01 1.3327E+01 -8.6731E+00 H2 1449 1.008000 0.423800 1.8902E+01 1.4593E+01 -7.7048E+00 O6 1450 15.999400 -0.847600 9.1409E+00 -1.5161E+01 -1.6425E+00 H1 1451 1.008000 0.423800 9.0062E+00 -1.4537E+01 -8.7322E-01 H2 1452 1.008000 0.423800 1.0120E+01 -1.5271E+01 -1.8155E+00 O6 1453 15.999400 -0.847600 4.8392E+00 7.9767E+00 -8.4831E+00 H1 1454 1.008000 0.423800 4.1769E+00 8.6766E+00 -8.2157E+00 H2 1455 1.008000 0.423800 5.1221E+00 7.4597E+00 -7.6753E+00 O6 1456 15.999400 -0.847600 1.6181E+01 1.3606E-01 -2.3022E+00 H1 1457 1.008000 0.423800 1.5733E+01 9.6796E-01 -1.9750E+00 H2 1458 1.008000 0.423800 1.7155E+01 3.1452E-01 -2.4395E+00 O6 1459 15.999400 -0.847600 1.0952E+01 1.6027E+01 -3.6733E+00 H1 1460 1.008000 0.423800 1.1911E+01 1.5793E+01 -3.5092E+00 H2 1461 1.008000 0.423800 1.0897E+01 1.6935E+01 -4.0874E+00 O6 1462 15.999400 -0.847600 1.1235E+01 1.8559E+01 1.7625E+01 H1 1463 1.008000 0.423800 1.0381E+01 1.8752E+01 1.8109E+01 H2 1464 1.008000 0.423800 1.1048E+01 1.8456E+01 1.6648E+01 O6 1465 15.999400 -0.847600 -1.1386E+01 3.1930E+00 1.2362E+00 H1 1466 1.008000 0.423800 -1.0460E+01 2.9619E+00 9.3750E-01 H2 1467 1.008000 0.423800 -1.1471E+01 3.0256E+00 2.2185E+00 O6 1468 15.999400 -0.847600 6.3328E+00 4.3180E+00 1.0062E+01 H1 1469 1.008000 0.423800 6.9724E+00 3.6497E+00 9.6821E+00 H2 1470 1.008000 0.423800 6.4272E+00 5.1850E+00 9.5726E+00 O6 1471 15.999400 -0.847600 -1.8244E+01 1.7888E+01 1.8455E+00 H1 1472 1.008000 0.423800 -1.7370E+01 1.8326E+01 2.0574E+00 H2 1473 1.008000 0.423800 -1.8292E+01 1.7699E+01 8.6470E-01 O6 1474 15.999400 -0.847600 -1.9049E+01 1.3464E+01 1.9082E+01 H1 1475 1.008000 0.423800 1.9107E+01 1.3230E+01 1.9325E+01 H2 1476 1.008000 0.423800 -1.8473E+01 1.3419E+01 -1.9200E+01 O6 1477 15.999400 -0.847600 5.4777E+00 1.5040E+01 -9.7175E+00 H1 1478 1.008000 0.423800 5.9078E+00 1.4138E+01 -9.6812E+00 H2 1479 1.008000 0.423800 5.4636E+00 1.5365E+01 -1.0663E+01 O6 1480 15.999400 -0.847600 -9.9868E+00 -5.4513E+00 8.8402E-01 H1 1481 1.008000 0.423800 -1.0390E+01 -5.7164E+00 8.0537E-03 H2 1482 1.008000 0.423800 -9.4982E+00 -4.5854E+00 7.7760E-01 O6 1483 15.999400 -0.847600 6.2684E+00 -1.9373E+01 -1.1614E+00 H1 1484 1.008000 0.423800 6.7015E+00 -1.8733E+01 -5.2660E-01 H2 1485 1.008000 0.423800 6.9193E+00 1.9475E+01 -1.8782E+00 O6 1486 15.999400 -0.847600 -1.8478E+01 -1.9061E+01 -1.1250E+01 H1 1487 1.008000 0.423800 -1.9312E+01 -1.9439E+01 -1.1651E+01 H2 1488 1.008000 0.423800 -1.7908E+01 1.9293E+01 -1.0902E+01 O6 1489 15.999400 -0.847600 1.4263E+01 -5.1728E+00 -4.7830E+00 H1 1490 1.008000 0.423800 1.4657E+01 -4.4006E+00 -5.2820E+00 H2 1491 1.008000 0.423800 1.3282E+01 -5.0260E+00 -4.6620E+00 O6 1492 15.999400 -0.847600 1.7818E+01 3.6234E+00 1.8331E+01 H1 1493 1.008000 0.423800 1.7161E+01 4.3450E+00 1.8551E+01 H2 1494 1.008000 0.423800 1.8095E+01 3.1575E+00 1.9171E+01 O6 1495 15.999400 -0.847600 -1.2858E+01 -1.5481E+01 -1.9284E+01 H1 1496 1.008000 0.423800 -1.3768E+01 -1.5859E+01 -1.9118E+01 H2 1497 1.008000 0.423800 -1.2188E+01 -1.5962E+01 -1.8719E+01 O6 1498 15.999400 -0.847600 1.2934E+01 5.4842E+00 -1.8540E+00 H1 1499 1.008000 0.423800 1.2480E+01 6.3730E+00 -1.7915E+00 H2 1500 1.008000 0.423800 1.3613E+01 5.5078E+00 -2.5877E+00 O6 1501 15.999400 -0.847600 -1.8262E+01 1.0924E+01 6.0943E+00 H1 1502 1.008000 0.423800 -1.8974E+01 1.1612E+01 6.2382E+00 H2 1503 1.008000 0.423800 -1.8114E+01 1.0416E+01 6.9424E+00 O6 1504 15.999400 -0.847600 -1.1112E+00 -1.3106E+01 9.3700E-02 H1 1505 1.008000 0.423800 -3.8090E-01 -1.3015E+01 7.7068E-01 H2 1506 1.008000 0.423800 -1.2347E+00 -1.2236E+01 -3.8318E-01 O6 1507 15.999400 -0.847600 1.4243E+01 -1.9185E+01 -5.6596E+00 H1 1508 1.008000 0.423800 1.4506E+01 -1.8277E+01 -5.3341E+00 H2 1509 1.008000 0.423800 1.5065E+01 1.9378E+01 -5.8555E+00 O6 1510 15.999400 -0.847600 -9.8334E+00 7.4406E+00 6.1212E+00 H1 1511 1.008000 0.423800 -9.6984E+00 6.4674E+00 6.3073E+00 H2 1512 1.008000 0.423800 -8.9452E+00 7.8980E+00 6.0780E+00 O6 1513 15.999400 -0.847600 1.8632E+01 -1.0395E+01 3.9792E+00 H1 1514 1.008000 0.423800 1.8233E+01 -9.6035E+00 4.4417E+00 H2 1515 1.008000 0.423800 1.9411E+01 -1.0100E+01 3.4259E+00 O6 1516 15.999400 -0.847600 1.7719E-01 -3.0559E+00 8.3791E+00 H1 1517 1.008000 0.423800 -7.5708E-01 -2.9796E+00 8.0308E+00 H2 1518 1.008000 0.423800 7.4854E-01 -2.3516E+00 7.9577E+00 O6 1519 15.999400 -0.847600 1.4024E+01 -7.0794E+00 -1.5223E+01 H1 1520 1.008000 0.423800 1.4528E+01 -6.3115E+00 -1.4828E+01 H2 1521 1.008000 0.423800 1.3200E+01 -7.2502E+00 -1.4683E+01 O6 1522 15.999400 -0.847600 -1.8928E+01 -1.4970E+01 -6.4898E+00 H1 1523 1.008000 0.423800 -1.9224E+01 -1.5897E+01 -6.7195E+00 H2 1524 1.008000 0.423800 -1.9074E+01 -1.4369E+01 -7.2761E+00 O6 1525 15.999400 -0.847600 -5.2456E+00 -8.5672E-01 1.5072E+01 H1 1526 1.008000 0.423800 -5.0801E+00 -1.5830E+00 1.5739E+01 H2 1527 1.008000 0.423800 -5.6962E+00 -8.6274E-02 1.5522E+01 O6 1528 15.999400 -0.847600 1.1047E+01 1.3745E+01 8.8374E+00 H1 1529 1.008000 0.423800 1.0834E+01 1.3369E+01 7.9355E+00 H2 1530 1.008000 0.423800 1.0628E+01 1.3174E+01 9.5436E+00 O6 1531 15.999400 -0.847600 3.7547E+00 2.8942E+00 6.6356E+00 H1 1532 1.008000 0.423800 3.1119E+00 2.4020E+00 6.0485E+00 H2 1533 1.008000 0.423800 3.6193E+00 3.8789E+00 6.5259E+00 O6 1534 15.999400 -0.847600 -5.8392E+00 -7.7830E+00 -1.0101E+01 H1 1535 1.008000 0.423800 -6.6789E+00 -8.2280E+00 -9.7897E+00 H2 1536 1.008000 0.423800 -5.5014E+00 -7.1714E+00 -9.3856E+00 O6 1537 15.999400 -0.847600 -1.4682E+01 -1.7581E+01 -3.7860E+00 H1 1538 1.008000 0.423800 -1.4632E+01 -1.8413E+01 -3.2344E+00 H2 1539 1.008000 0.423800 -1.5489E+01 -1.7619E+01 -4.3749E+00 O6 1540 15.999400 -0.847600 9.3891E+00 -1.5804E+01 9.1247E+00 H1 1541 1.008000 0.423800 8.6364E+00 -1.5355E+01 8.6429E+00 H2 1542 1.008000 0.423800 9.2664E+00 -1.5694E+01 1.0111E+01 O6 1543 15.999400 -0.847600 1.3605E+01 1.7277E+01 1.8368E+01 H1 1544 1.008000 0.423800 1.4198E+01 1.7539E+01 1.7606E+01 H2 1545 1.008000 0.423800 1.2683E+01 1.7631E+01 1.8210E+01 O6 1546 15.999400 -0.847600 -2.9274E+00 1.2425E+01 -5.8321E+00 H1 1547 1.008000 0.423800 -3.7807E+00 1.1966E+01 -6.0800E+00 H2 1548 1.008000 0.423800 -2.3738E+00 1.2565E+01 -6.6530E+00 O6 1549 15.999400 -0.847600 1.8375E+01 1.7059E+00 1.3647E+00 H1 1550 1.008000 0.423800 1.9073E+01 1.3910E+00 7.2074E-01 H2 1551 1.008000 0.423800 1.8819E+01 2.1113E+00 2.1641E+00 O6 1552 15.999400 -0.847600 1.7097E+01 1.8076E+01 -9.7667E+00 H1 1553 1.008000 0.423800 1.6649E+01 1.8840E+01 -1.0231E+01 H2 1554 1.008000 0.423800 1.6468E+01 1.7300E+01 -9.7179E+00 O6 1555 15.999400 -0.847600 -1.8328E+01 1.3037E+01 8.5328E+00 H1 1556 1.008000 0.423800 -1.7368E+01 1.2758E+01 8.5188E+00 H2 1557 1.008000 0.423800 -1.8475E+01 1.3689E+01 9.2768E+00 O6 1558 15.999400 -0.847600 1.7785E+01 -1.3426E+01 3.0799E+00 H1 1559 1.008000 0.423800 1.7044E+01 -1.3803E+01 2.5244E+00 H2 1560 1.008000 0.423800 1.7772E+01 -1.2428E+01 3.0203E+00 O6 1561 15.999400 -0.847600 1.0041E+01 5.7914E+00 -3.7581E+00 H1 1562 1.008000 0.423800 1.0346E+01 5.3901E+00 -4.6220E+00 H2 1563 1.008000 0.423800 9.1011E+00 5.5069E+00 -3.5716E+00 O6 1564 15.999400 -0.847600 -1.1235E+01 1.6574E+01 1.8380E+01 H1 1565 1.008000 0.423800 -1.0645E+01 1.5838E+01 1.8713E+01 H2 1566 1.008000 0.423800 -1.0708E+01 1.7421E+01 1.8315E+01 O6 1567 15.999400 -0.847600 -4.3588E-01 -1.0640E+01 -1.7139E+01 H1 1568 1.008000 0.423800 -1.4092E+00 -1.0827E+01 -1.7272E+01 H2 1569 1.008000 0.423800 -3.1152E-01 -1.0098E+01 -1.6308E+01 O6 1570 15.999400 -0.847600 -1.3449E+01 7.5235E-01 -1.0767E+01 H1 1571 1.008000 0.423800 -1.3599E+01 1.1436E+00 -1.1675E+01 H2 1572 1.008000 0.423800 -1.2670E+01 1.2041E+00 -1.0334E+01 O6 1573 15.999400 -0.847600 -8.8389E+00 -5.3338E+00 -1.8071E+01 H1 1574 1.008000 0.423800 -8.5460E+00 -6.0468E+00 -1.7434E+01 H2 1575 1.008000 0.423800 -9.7607E+00 -5.0300E+00 -1.7830E+01 O6 1576 15.999400 -0.847600 -2.9976E+00 -1.1508E+01 -1.7476E+01 H1 1577 1.008000 0.423800 -2.6484E+00 -1.2303E+01 -1.7972E+01 H2 1578 1.008000 0.423800 -3.5669E+00 -1.1815E+01 -1.6713E+01 O6 1579 15.999400 -0.847600 -1.3553E+01 1.9349E-01 4.5871E+00 H1 1580 1.008000 0.423800 -1.3509E+01 1.1922E+00 4.6117E+00 H2 1581 1.008000 0.423800 -1.2749E+01 -1.8687E-01 5.0437E+00 O6 1582 15.999400 -0.847600 -8.3540E+00 -9.1813E+00 1.1121E+01 H1 1583 1.008000 0.423800 -9.3533E+00 -9.1431E+00 1.1121E+01 H2 1584 1.008000 0.423800 -7.9884E+00 -8.3442E+00 1.0715E+01 O6 1585 15.999400 -0.847600 -1.7389E+00 -1.4832E+01 -8.5920E+00 H1 1586 1.008000 0.423800 -1.7809E+00 -1.4376E+01 -7.7027E+00 H2 1587 1.008000 0.423800 -2.1204E+00 -1.4229E+01 -9.2932E+00 O6 1588 15.999400 -0.847600 1.6790E+01 1.6774E+01 9.2061E+00 H1 1589 1.008000 0.423800 1.6441E+01 1.5890E+01 8.8951E+00 H2 1590 1.008000 0.423800 1.6320E+01 1.7509E+01 8.7167E+00 O6 1591 15.999400 -0.847600 -2.3030E+00 -1.9252E+01 -6.1750E+00 H1 1592 1.008000 0.423800 -3.2410E+00 -1.8911E+01 -6.1138E+00 H2 1593 1.008000 0.423800 -1.6726E+00 -1.8481E+01 -6.2621E+00 O6 1594 15.999400 -0.847600 4.8433E+00 1.1160E+01 -1.5919E+01 H1 1595 1.008000 0.423800 5.5302E+00 1.0433E+01 -1.5901E+01 H2 1596 1.008000 0.423800 3.9800E+00 1.0811E+01 -1.5554E+01 O6 1597 15.999400 -0.847600 1.8177E+01 -2.2886E+00 1.1543E+01 H1 1598 1.008000 0.423800 1.7625E+01 -3.1187E+00 1.1463E+01 H2 1599 1.008000 0.423800 1.8392E+01 -2.1236E+00 1.2505E+01 O6 1600 15.999400 -0.847600 1.8277E+01 -1.5467E+00 -1.4384E+01 H1 1601 1.008000 0.423800 1.7447E+01 -1.6471E+00 -1.4933E+01 H2 1602 1.008000 0.423800 1.8038E+01 -1.1902E+00 -1.3480E+01 O6 1603 15.999400 -0.847600 -1.4306E+01 -8.3182E+00 1.8021E+00 H1 1604 1.008000 0.423800 -1.3886E+01 -7.9610E+00 9.6767E-01 H2 1605 1.008000 0.423800 -1.5054E+01 -7.7171E+00 2.0822E+00 O6 1606 15.999400 -0.847600 -8.2969E-01 1.4148E+01 1.0496E+01 H1 1607 1.008000 0.423800 -9.5252E-02 1.4528E+01 9.9332E+00 H2 1608 1.008000 0.423800 -9.9497E-01 1.4749E+01 1.1278E+01 O6 1609 15.999400 -0.847600 -3.3607E+00 7.4579E+00 1.6116E+01 H1 1610 1.008000 0.423800 -4.0825E+00 7.5482E+00 1.5430E+01 H2 1611 1.008000 0.423800 -2.5567E+00 7.0330E+00 1.5700E+01 O6 1612 15.999400 -0.847600 -3.5808E+00 -5.1069E+00 7.6377E-01 H1 1613 1.008000 0.423800 -2.8621E+00 -5.7912E+00 6.4056E-01 H2 1614 1.008000 0.423800 -4.2210E+00 -5.1542E+00 -3.0072E-03 O6 1615 15.999400 -0.847600 5.7084E+00 1.8908E+01 -1.2119E+01 H1 1616 1.008000 0.423800 4.8082E+00 1.8474E+01 -1.2080E+01 H2 1617 1.008000 0.423800 5.6441E+00 -1.9334E+01 -1.2632E+01 O6 1618 15.999400 -0.847600 1.0814E+01 -2.4829E+00 -3.0608E+00 H1 1619 1.008000 0.423800 1.1546E+01 -1.8155E+00 -3.1966E+00 H2 1620 1.008000 0.423800 1.0326E+01 -2.2743E+00 -2.2134E+00 O6 1621 15.999400 -0.847600 1.7559E+01 1.6216E+01 1.8163E+01 H1 1622 1.008000 0.423800 1.6948E+01 1.5682E+01 1.7579E+01 H2 1623 1.008000 0.423800 1.7080E+01 1.7031E+01 1.8488E+01 O6 1624 15.999400 -0.847600 -3.8328E+00 1.1819E+01 -1.2717E+01 H1 1625 1.008000 0.423800 -4.7013E+00 1.2130E+01 -1.2331E+01 H2 1626 1.008000 0.423800 -3.4367E+00 1.2546E+01 -1.3277E+01 O6 1627 15.999400 -0.847600 -3.0153E+00 4.5034E+00 2.8734E+00 H1 1628 1.008000 0.423800 -3.4398E+00 4.2774E+00 3.7502E+00 H2 1629 1.008000 0.423800 -2.8608E+00 5.4900E+00 2.8223E+00 O6 1630 15.999400 -0.847600 -7.1013E+00 -1.1892E+01 -1.5191E+01 H1 1631 1.008000 0.423800 -6.4308E+00 -1.2544E+01 -1.5545E+01 H2 1632 1.008000 0.423800 -6.8930E+00 -1.1685E+01 -1.4236E+01 O6 1633 15.999400 -0.847600 -1.2967E+01 -3.7198E+00 1.8414E+01 H1 1634 1.008000 0.423800 -1.3618E+01 -3.9989E+00 1.9120E+01 H2 1635 1.008000 0.423800 -1.3111E+01 -4.2697E+00 1.7591E+01 O6 1636 15.999400 -0.847600 -1.3458E+01 -1.7790E+01 -1.2082E+01 H1 1637 1.008000 0.423800 -1.2603E+01 -1.7724E+01 -1.2596E+01 H2 1638 1.008000 0.423800 -1.4180E+01 -1.7302E+01 -1.2572E+01 O6 1639 15.999400 -0.847600 -4.4239E+00 -4.5787E+00 3.2531E+00 H1 1640 1.008000 0.423800 -3.9724E+00 -5.3584E+00 3.6869E+00 H2 1641 1.008000 0.423800 -4.1275E+00 -4.5095E+00 2.3006E+00 O6 1642 15.999400 -0.847600 3.6464E+00 -6.9034E+00 -5.6737E+00 H1 1643 1.008000 0.423800 2.8704E+00 -7.2427E+00 -6.2054E+00 H2 1644 1.008000 0.423800 4.4681E+00 -7.4183E+00 -5.9176E+00 O6 1645 15.999400 -0.847600 4.7728E+00 -1.7385E+01 -1.0213E+01 H1 1646 1.008000 0.423800 4.1206E+00 -1.6643E+01 -1.0058E+01 H2 1647 1.008000 0.423800 4.5584E+00 -1.7843E+01 -1.1076E+01 O6 1648 15.999400 -0.847600 -6.2688E+00 -2.7391E+00 -1.6527E+01 H1 1649 1.008000 0.423800 -5.9382E+00 -3.6441E+00 -1.6259E+01 H2 1650 1.008000 0.423800 -6.6397E+00 -2.7808E+00 -1.7454E+01 O6 1651 15.999400 -0.847600 -1.4242E+00 1.2061E+01 1.4755E+01 H1 1652 1.008000 0.423800 -6.2081E-01 1.2362E+01 1.5269E+01 H2 1653 1.008000 0.423800 -2.1186E+00 1.2781E+01 1.4771E+01 O6 1654 15.999400 -0.847600 -1.8194E+01 -6.5718E+00 9.8708E+00 H1 1655 1.008000 0.423800 -1.7623E+01 -7.2581E+00 9.4194E+00 H2 1656 1.008000 0.423800 -1.9073E+01 -6.5073E+00 9.3996E+00 O6 1657 15.999400 -0.847600 -2.7766E+00 -1.9503E+00 -1.5320E+01 H1 1658 1.008000 0.423800 -3.7572E+00 -1.8725E+00 -1.5140E+01 H2 1659 1.008000 0.423800 -2.6216E+00 -2.6373E+00 -1.6030E+01 O6 1660 15.999400 -0.847600 -1.0547E+01 1.0784E+00 9.9854E+00 H1 1661 1.008000 0.423800 -1.1215E+01 3.6988E-01 1.0216E+01 H2 1662 1.008000 0.423800 -9.8177E+00 6.8087E-01 9.4292E+00 O6 1663 15.999400 -0.847600 -8.6931E+00 1.3207E+01 -3.3286E+00 H1 1664 1.008000 0.423800 -9.2568E+00 1.2399E+01 -3.4983E+00 H2 1665 1.008000 0.423800 -7.7265E+00 1.2958E+01 -3.3869E+00 O6 1666 15.999400 -0.847600 8.3085E+00 1.0427E+01 1.5943E+01 H1 1667 1.008000 0.423800 8.9073E+00 1.0986E+01 1.5369E+01 H2 1668 1.008000 0.423800 8.8204E+00 1.0097E+01 1.6736E+01 O6 1669 15.999400 -0.847600 -1.0685E+01 -1.4876E+01 -1.7392E+00 H1 1670 1.008000 0.423800 -1.1602E+01 -1.5273E+01 -1.7048E+00 H2 1671 1.008000 0.423800 -1.0047E+01 -1.5545E+01 -2.1212E+00 O6 1672 15.999400 -0.847600 -2.6752E-01 -6.6967E+00 1.0454E+01 H1 1673 1.008000 0.423800 -1.1807E-01 -6.8741E+00 1.1426E+01 H2 1674 1.008000 0.423800 5.1821E-01 -6.2035E+00 1.0080E+01 O6 1675 15.999400 -0.847600 8.4789E-01 1.2646E+00 1.1934E+01 H1 1676 1.008000 0.423800 1.0954E+00 2.1368E+00 1.1512E+01 H2 1677 1.008000 0.423800 5.8654E-01 6.1234E-01 1.1222E+01 O6 1678 15.999400 -0.847600 9.8671E+00 5.3669E+00 -1.7771E+01 H1 1679 1.008000 0.423800 8.9996E+00 5.7859E+00 -1.7502E+01 H2 1680 1.008000 0.423800 9.8666E+00 4.4021E+00 -1.7508E+01 O6 1681 15.999400 -0.847600 -1.0898E+00 1.7384E+01 5.2803E+00 H1 1682 1.008000 0.423800 -1.3303E+00 1.7776E+01 4.3925E+00 H2 1683 1.008000 0.423800 -1.2762E+00 1.6401E+01 5.2720E+00 O6 1684 15.999400 -0.847600 1.6154E+01 -4.2849E+00 1.1302E+00 H1 1685 1.008000 0.423800 1.6242E+01 -3.6680E+00 3.4808E-01 H2 1686 1.008000 0.423800 1.6847E+01 -5.0026E+00 1.0682E+00 O6 1687 15.999400 -0.847600 -4.4956E+00 1.1780E+01 6.6573E+00 H1 1688 1.008000 0.423800 -4.9454E+00 1.1191E+01 5.9862E+00 H2 1689 1.008000 0.423800 -4.3989E+00 1.1287E+01 7.5220E+00 O6 1690 15.999400 -0.847600 2.7567E+00 1.5014E+01 -9.6224E+00 H1 1691 1.008000 0.423800 3.7363E+00 1.5137E+01 -9.4633E+00 H2 1692 1.008000 0.423800 2.6172E+00 1.4547E+01 -1.0496E+01 O6 1693 15.999400 -0.847600 1.1238E+01 -8.1230E+00 -5.3604E+00 H1 1694 1.008000 0.423800 1.1780E+01 -8.0862E+00 -6.1995E+00 H2 1695 1.008000 0.423800 1.0297E+01 -8.3777E+00 -5.5831E+00 O6 1696 15.999400 -0.847600 1.6083E+01 1.4445E+01 -3.7169E+00 H1 1697 1.008000 0.423800 1.6117E+01 1.3446E+01 -3.7337E+00 H2 1698 1.008000 0.423800 1.5956E+01 1.4790E+01 -4.6469E+00 O6 1699 15.999400 -0.847600 -1.2109E+01 -1.8495E+01 1.6128E+01 H1 1700 1.008000 0.423800 -1.1517E+01 -1.8389E+01 1.5329E+01 H2 1701 1.008000 0.423800 -1.1554E+01 -1.8731E+01 1.6925E+01 O6 1702 15.999400 -0.847600 -7.0058E+00 -1.9141E+01 -8.3048E+00 H1 1703 1.008000 0.423800 -7.8625E+00 1.9441E+01 -8.3215E+00 H2 1704 1.008000 0.423800 -6.2466E+00 1.9349E+01 -8.5386E+00 O6 1705 15.999400 -0.847600 -1.2955E+01 -3.8748E+00 6.6377E+00 H1 1706 1.008000 0.423800 -1.2128E+01 -4.2550E+00 7.0512E+00 H2 1707 1.008000 0.423800 -1.3381E+01 -4.5631E+00 6.0504E+00 O6 1708 15.999400 -0.847600 1.6645E+01 3.5048E+00 3.6745E+00 H1 1709 1.008000 0.423800 1.7011E+01 2.8586E+00 4.3441E+00 H2 1710 1.008000 0.423800 1.5738E+01 3.2021E+00 3.3804E+00 O6 1711 15.999400 -0.847600 1.4670E+01 1.5647E+01 -6.1870E-01 H1 1712 1.008000 0.423800 1.4086E+01 1.6129E+01 3.4890E-02 H2 1713 1.008000 0.423800 1.5370E+01 1.5132E+01 -1.2386E-01 O6 1714 15.999400 -0.847600 -1.3581E+01 -1.4097E+01 3.0260E+00 H1 1715 1.008000 0.423800 -1.2681E+01 -1.4477E+01 3.2368E+00 H2 1716 1.008000 0.423800 -1.3473E+01 -1.3192E+01 2.6144E+00 O6 1717 15.999400 -0.847600 -1.8010E+01 -1.3026E+01 -1.4719E+01 H1 1718 1.008000 0.423800 -1.7176E+01 -1.3326E+01 -1.5183E+01 H2 1719 1.008000 0.423800 -1.7784E+01 -1.2313E+01 -1.4056E+01 O6 1720 15.999400 -0.847600 -1.2295E+01 1.3438E+01 1.0441E+00 H1 1721 1.008000 0.423800 -1.1557E+01 1.4111E+01 1.0835E+00 H2 1722 1.008000 0.423800 -1.2432E+01 1.3148E+01 9.6776E-02 O6 1723 15.999400 -0.847600 1.5544E+01 1.8592E+01 -1.4971E+01 H1 1724 1.008000 0.423800 1.4628E+01 1.8691E+01 -1.4581E+01 H2 1725 1.008000 0.423800 1.6124E+01 1.9342E+01 -1.4655E+01 O6 1726 15.999400 -0.847600 -1.1677E+01 -2.4380E-01 1.3385E+01 H1 1727 1.008000 0.423800 -1.2290E+01 -8.7304E-01 1.2908E+01 H2 1728 1.008000 0.423800 -1.0740E+01 -5.9085E-01 1.3338E+01 O6 1729 15.999400 -0.847600 1.1163E+01 9.2788E+00 1.9097E+01 H1 1730 1.008000 0.423800 1.1910E+01 9.6329E+00 1.8534E+01 H2 1731 1.008000 0.423800 1.0500E+01 8.8099E+00 1.8514E+01 O6 1732 15.999400 -0.847600 -9.1331E+00 6.1856E+00 1.6983E+01 H1 1733 1.008000 0.423800 -9.4057E+00 6.2159E+00 1.7945E+01 H2 1734 1.008000 0.423800 -9.4815E+00 5.3471E+00 1.6564E+01 O6 1735 15.999400 -0.847600 -1.3428E+01 6.1104E+00 -8.6798E+00 H1 1736 1.008000 0.423800 -1.2581E+01 5.6002E+00 -8.5290E+00 H2 1737 1.008000 0.423800 -1.4016E+01 6.0259E+00 -7.8752E+00 O6 1738 15.999400 -0.847600 -5.3639E+00 1.5054E+01 -1.0954E+01 H1 1739 1.008000 0.423800 -5.0736E+00 1.4368E+01 -1.0288E+01 H2 1740 1.008000 0.423800 -4.6909E+00 1.5793E+01 -1.0987E+01 O6 1741 15.999400 -0.847600 -3.5984E+00 -1.0970E+01 -1.4393E+01 H1 1742 1.008000 0.423800 -3.8829E+00 -1.0076E+01 -1.4741E+01 H2 1743 1.008000 0.423800 -2.7791E+00 -1.0862E+01 -1.3830E+01 O6 1744 15.999400 -0.847600 -1.6242E+01 -1.3762E+01 1.0284E+01 H1 1745 1.008000 0.423800 -1.6587E+01 -1.4556E+01 9.7829E+00 H2 1746 1.008000 0.423800 -1.6983E+01 -1.3361E+01 1.0823E+01 O6 1747 15.999400 -0.847600 1.2824E+01 9.8625E+00 1.3732E+01 H1 1748 1.008000 0.423800 1.3480E+01 9.3967E+00 1.4327E+01 H2 1749 1.008000 0.423800 1.3289E+01 1.0593E+01 1.3232E+01 O6 1750 15.999400 -0.847600 -7.4520E+00 6.3359E+00 1.0487E+01 H1 1751 1.008000 0.423800 -7.0135E+00 6.6982E+00 1.1310E+01 H2 1752 1.008000 0.423800 -8.4239E+00 6.1839E+00 1.0667E+01 O6 1753 15.999400 -0.847600 1.8293E+01 -1.2411E+01 -1.4887E+01 H1 1754 1.008000 0.423800 1.9270E+01 -1.2622E+01 -1.4926E+01 H2 1755 1.008000 0.423800 1.7846E+01 -1.2750E+01 -1.5715E+01 O6 1756 15.999400 -0.847600 -1.3035E+01 1.3840E+01 -7.6545E+00 H1 1757 1.008000 0.423800 -1.3293E+01 1.4532E+01 -8.3283E+00 H2 1758 1.008000 0.423800 -1.3382E+01 1.2947E+01 -7.9443E+00 O6 1759 15.999400 -0.847600 -8.4716E+00 1.5996E+01 -2.6424E+00 H1 1760 1.008000 0.423800 -9.4032E+00 1.6132E+01 -2.3052E+00 H2 1761 1.008000 0.423800 -8.4463E+00 1.5191E+01 -3.2356E+00 O6 1762 15.999400 -0.847600 1.3061E+01 -1.2879E+01 1.5300E+01 H1 1763 1.008000 0.423800 1.2769E+01 -1.3782E+01 1.5615E+01 H2 1764 1.008000 0.423800 1.3866E+01 -1.2974E+01 1.4714E+01 O6 1765 15.999400 -0.847600 5.5664E-01 3.9413E+00 1.5002E+01 H1 1766 1.008000 0.423800 1.3808E+00 3.9705E+00 1.4436E+01 H2 1767 1.008000 0.423800 6.0146E-01 3.1531E+00 1.5616E+01 O6 1768 15.999400 -0.847600 -1.6219E+01 1.1613E+01 -1.8614E+01 H1 1769 1.008000 0.423800 -1.7052E+01 1.1119E+01 -1.8366E+01 H2 1770 1.008000 0.423800 -1.5844E+01 1.1231E+01 -1.9459E+01 O6 1771 15.999400 -0.847600 7.2890E+00 -1.3009E+01 -2.6219E+00 H1 1772 1.008000 0.423800 6.6278E+00 -1.3178E+01 -1.8907E+00 H2 1773 1.008000 0.423800 7.9830E+00 -1.3729E+01 -2.6157E+00 O6 1774 15.999400 -0.847600 -3.6933E+00 1.3712E+01 -1.6173E+01 H1 1775 1.008000 0.423800 -4.2060E+00 1.3031E+01 -1.6695E+01 H2 1776 1.008000 0.423800 -4.2316E+00 1.4552E+01 -1.6102E+01 O6 1777 15.999400 -0.847600 -1.0664E+01 -6.3795E+00 -7.8277E+00 H1 1778 1.008000 0.423800 -1.1608E+01 -6.0943E+00 -7.6614E+00 H2 1779 1.008000 0.423800 -1.0045E+01 -5.6224E+00 -7.6181E+00 O6 1780 15.999400 -0.847600 8.0111E-01 9.5410E+00 -5.3539E-01 H1 1781 1.008000 0.423800 1.2516E+00 8.7310E+00 -9.1096E-01 H2 1782 1.008000 0.423800 5.0322E-01 9.3528E+00 4.0047E-01 O6 1783 15.999400 -0.847600 1.7152E+00 -1.3645E+01 1.3826E+01 H1 1784 1.008000 0.423800 2.4328E+00 -1.2982E+01 1.4039E+01 H2 1785 1.008000 0.423800 1.5297E+00 -1.4206E+01 1.4633E+01 O6 1786 15.999400 -0.847600 -1.7380E+01 6.6407E+00 -3.3352E-01 H1 1787 1.008000 0.423800 -1.7229E+01 6.3931E+00 6.2343E-01 H2 1788 1.008000 0.423800 -1.6963E+01 7.5307E+00 -5.1752E-01 O6 1789 15.999400 -0.847600 5.2082E+00 -8.5011E+00 -1.2435E+01 H1 1790 1.008000 0.423800 5.0147E+00 -9.2133E+00 -1.1760E+01 H2 1791 1.008000 0.423800 5.0529E+00 -7.6024E+00 -1.2025E+01 O6 1792 15.999400 -0.847600 -1.5832E+01 1.8043E+01 -1.1024E+01 H1 1793 1.008000 0.423800 -1.6614E+01 1.7557E+01 -1.1413E+01 H2 1794 1.008000 0.423800 -1.5047E+01 1.7959E+01 -1.1639E+01 O6 1795 15.999400 -0.847600 1.5015E+01 -1.4948E+00 -1.5511E+01 H1 1796 1.008000 0.423800 1.4727E+01 -1.7216E+00 -1.4581E+01 H2 1797 1.008000 0.423800 1.4290E+01 -9.7899E-01 -1.5968E+01 O6 1798 15.999400 -0.847600 -3.4230E+00 -3.6602E-01 1.3302E+01 H1 1799 1.008000 0.423800 -3.1761E+00 -1.0187E+00 1.2586E+01 H2 1800 1.008000 0.423800 -4.2434E+00 -6.8579E-01 1.3776E+01 O6 1801 15.999400 -0.847600 4.0967E+00 1.7893E+01 -1.0321E+00 H1 1802 1.008000 0.423800 3.8826E+00 1.7574E+01 -1.9553E+00 H2 1803 1.008000 0.423800 4.9953E+00 1.8332E+01 -1.0311E+00 O6 1804 15.999400 -0.847600 -4.6285E+00 -1.6126E+01 1.6421E+01 H1 1805 1.008000 0.423800 -5.3399E+00 -1.5767E+01 1.5816E+01 H2 1806 1.008000 0.423800 -4.4811E+00 -1.7095E+01 1.6224E+01 O6 1807 15.999400 -0.847600 -8.2252E+00 -1.5863E+00 6.0074E+00 H1 1808 1.008000 0.423800 -7.8304E+00 -1.0709E+00 5.2467E+00 H2 1809 1.008000 0.423800 -9.1740E+00 -1.8199E+00 5.7948E+00 O6 1810 15.999400 -0.847600 -2.9006E+00 -1.4974E+01 -1.6604E+00 H1 1811 1.008000 0.423800 -3.8186E+00 -1.4705E+01 -1.3691E+00 H2 1812 1.008000 0.423800 -2.2258E+00 -1.4598E+01 -1.0255E+00 O6 1813 15.999400 -0.847600 -1.8856E+01 -3.8484E-01 6.1521E+00 H1 1814 1.008000 0.423800 -1.8705E+01 -1.6271E-01 7.1153E+00 H2 1815 1.008000 0.423800 1.9369E+01 3.4938E-03 5.8539E+00 O6 1816 15.999400 -0.847600 1.2519E+00 1.4929E+01 -4.3552E-01 H1 1817 1.008000 0.423800 2.6771E-01 1.4894E+01 -6.0961E-01 H2 1818 1.008000 0.423800 1.7469E+00 1.4717E+01 -1.2781E+00 O6 1819 15.999400 -0.847600 3.5803E+00 -2.6019E+00 -1.6033E+01 H1 1820 1.008000 0.423800 3.2651E+00 -1.6529E+00 -1.6027E+01 H2 1821 1.008000 0.423800 3.1324E+00 -3.0966E+00 -1.6778E+01 O6 1822 15.999400 -0.847600 1.1279E+01 -4.2876E+00 -1.2368E+01 H1 1823 1.008000 0.423800 1.0901E+01 -3.3704E+00 -1.2494E+01 H2 1824 1.008000 0.423800 1.2204E+01 -4.2184E+00 -1.1994E+01 O6 1825 15.999400 -0.847600 4.4847E+00 7.5354E+00 1.2907E+01 H1 1826 1.008000 0.423800 4.3170E+00 6.7438E+00 1.3495E+01 H2 1827 1.008000 0.423800 4.4529E+00 8.3706E+00 1.3456E+01 O6 1828 15.999400 -0.847600 -1.0616E+00 7.6623E+00 5.0123E+00 H1 1829 1.008000 0.423800 -3.1721E-01 7.2114E+00 4.5198E+00 H2 1830 1.008000 0.423800 -1.1620E+00 7.2479E+00 5.9168E+00 O6 1831 15.999400 -0.847600 1.6266E+01 9.1528E+00 1.7539E+01 H1 1832 1.008000 0.423800 1.6407E+01 8.1767E+00 1.7705E+01 H2 1833 1.008000 0.423800 1.7119E+01 9.6461E+00 1.7711E+01 O6 1834 15.999400 -0.847600 -3.4004E+00 1.6690E+01 -4.1400E-01 H1 1835 1.008000 0.423800 -2.8060E+00 1.5886E+01 -4.0330E-01 H2 1836 1.008000 0.423800 -2.8905E+00 1.7477E+01 -7.6199E-01 O6 1837 15.999400 -0.847600 1.9032E+01 -1.7005E+01 -8.4596E+00 H1 1838 1.008000 0.423800 1.8035E+01 -1.6952E+01 -8.5079E+00 H2 1839 1.008000 0.423800 1.9427E+01 -1.6137E+01 -8.7593E+00 O6 1840 15.999400 -0.847600 -1.7457E+01 1.3007E+01 -2.4789E+00 H1 1841 1.008000 0.423800 -1.7281E+01 1.2627E+01 -1.5710E+00 H2 1842 1.008000 0.423800 -1.7941E+01 1.3878E+01 -2.3873E+00 O6 1843 15.999400 -0.847600 7.1794E+00 1.2347E+01 1.4104E+01 H1 1844 1.008000 0.423800 8.0089E+00 1.2667E+01 1.3646E+01 H2 1845 1.008000 0.423800 7.1032E+00 1.2785E+01 1.4999E+01 O6 1846 15.999400 -0.847600 1.9174E+01 7.5418E+00 -1.0423E+01 H1 1847 1.008000 0.423800 -1.9464E+01 6.6662E+00 -1.0275E+01 H2 1848 1.008000 0.423800 1.8629E+01 7.4946E+00 -1.1260E+01 O6 1849 15.999400 -0.847600 -9.8698E+00 2.1742E+00 -1.7230E+01 H1 1850 1.008000 0.423800 -1.0497E+01 1.4268E+00 -1.7448E+01 H2 1851 1.008000 0.423800 -9.5917E+00 2.6332E+00 -1.8074E+01 O6 1852 15.999400 -0.847600 -1.5568E+01 3.5291E+00 9.0481E-01 H1 1853 1.008000 0.423800 -1.6324E+01 3.1019E+00 4.0969E-01 H2 1854 1.008000 0.423800 -1.4731E+01 3.0019E+00 7.5480E-01 O6 1855 15.999400 -0.847600 9.6480E+00 -1.0518E+01 -1.1450E+01 H1 1856 1.008000 0.423800 1.0221E+01 -1.0050E+01 -1.0777E+01 H2 1857 1.008000 0.423800 9.0202E+00 -9.8609E+00 -1.1868E+01 O6 1858 15.999400 -0.847600 -1.0073E+01 3.8647E-01 2.4871E+00 H1 1859 1.008000 0.423800 -9.1897E+00 4.7916E-02 2.8115E+00 H2 1860 1.008000 0.423800 -1.0388E+01 -1.8036E-01 1.7259E+00 O6 1861 15.999400 -0.847600 1.9309E+01 -1.8748E+01 1.2987E+01 H1 1862 1.008000 0.423800 -1.9497E+01 -1.8953E+01 1.3921E+01 H2 1863 1.008000 0.423800 1.8329E+01 -1.8553E+01 1.2979E+01 O6 1864 15.999400 -0.847600 -7.6559E+00 -1.2980E+01 8.1265E+00 H1 1865 1.008000 0.423800 -7.0279E+00 -1.3670E+01 8.4864E+00 H2 1866 1.008000 0.423800 -8.3453E+00 -1.2764E+01 8.8179E+00 O6 1867 15.999400 -0.847600 -8.1548E+00 2.0831E+00 1.4650E+01 H1 1868 1.008000 0.423800 -7.2560E+00 2.2259E+00 1.5065E+01 H2 1869 1.008000 0.423800 -8.0519E+00 1.9718E+00 1.3662E+01 O6 1870 15.999400 -0.847600 -5.9958E+00 -1.6829E+00 -2.4744E+00 H1 1871 1.008000 0.423800 -6.2139E+00 -1.7786E+00 -3.4456E+00 H2 1872 1.008000 0.423800 -5.0151E+00 -1.5197E+00 -2.3675E+00 O6 1873 15.999400 -0.847600 -1.2902E+01 1.4932E+01 5.3527E+00 H1 1874 1.008000 0.423800 -1.2242E+01 1.4182E+01 5.3007E+00 H2 1875 1.008000 0.423800 -1.2906E+01 1.5433E+01 4.4877E+00 O6 1876 15.999400 -0.847600 4.2701E+00 9.8338E+00 1.4106E+01 H1 1877 1.008000 0.423800 3.3158E+00 9.8303E+00 1.4405E+01 H2 1878 1.008000 0.423800 4.8385E+00 1.0259E+01 1.4811E+01 O6 1879 15.999400 -0.847600 -1.4056E+01 -1.2378E+01 1.1530E+01 H1 1880 1.008000 0.423800 -1.4435E+01 -1.1455E+01 1.1463E+01 H2 1881 1.008000 0.423800 -1.4569E+01 -1.2993E+01 1.0931E+01 O6 1882 15.999400 -0.847600 1.9454E+01 -8.3818E+00 -1.3025E+01 H1 1883 1.008000 0.423800 1.8696E+01 -9.0254E+00 -1.3135E+01 H2 1884 1.008000 0.423800 1.9456E+01 -8.0264E+00 -1.2090E+01 O6 1885 15.999400 -0.847600 -5.7291E+00 5.3611E+00 -3.5502E+00 H1 1886 1.008000 0.423800 -5.6273E+00 4.3767E+00 -3.6939E+00 H2 1887 1.008000 0.423800 -6.1636E+00 5.5254E+00 -2.6647E+00 O6 1888 15.999400 -0.847600 -8.5644E+00 -8.5775E+00 -6.7004E+00 H1 1889 1.008000 0.423800 -8.4102E+00 -7.9132E+00 -5.9690E+00 H2 1890 1.008000 0.423800 -7.9706E+00 -9.3700E+00 -6.5613E+00 O6 1891 15.999400 -0.847600 1.3814E+01 -7.5904E+00 9.8248E+00 H1 1892 1.008000 0.423800 1.3741E+01 -8.1509E+00 1.0650E+01 H2 1893 1.008000 0.423800 1.4739E+01 -7.2182E+00 9.7557E+00 O6 1894 15.999400 -0.847600 -5.7613E+00 9.9077E+00 4.7912E+00 H1 1895 1.008000 0.423800 -6.3491E+00 1.0436E+01 4.1786E+00 H2 1896 1.008000 0.423800 -5.2145E+00 9.2643E+00 4.2555E+00 O6 1897 15.999400 -0.847600 -1.8503E+01 -2.9549E+00 3.4330E+00 H1 1898 1.008000 0.423800 -1.7709E+01 -3.5409E+00 3.2702E+00 H2 1899 1.008000 0.423800 -1.8377E+01 -2.0835E+00 2.9591E+00 O6 1900 15.999400 -0.847600 -1.6978E+01 1.4992E+00 -1.1811E+01 H1 1901 1.008000 0.423800 -1.6571E+01 1.9813E+00 -1.2587E+01 H2 1902 1.008000 0.423800 -1.7926E+01 1.2642E+00 -1.2025E+01 O6 1903 15.999400 -0.847600 -1.1770E+01 1.7254E+01 -1.7305E+01 H1 1904 1.008000 0.423800 -1.1166E+01 1.6638E+01 -1.7809E+01 H2 1905 1.008000 0.423800 -1.2112E+01 1.7964E+01 -1.7920E+01 O6 1906 15.999400 -0.847600 9.9713E+00 7.4295E+00 -9.2756E+00 H1 1907 1.008000 0.423800 1.0728E+01 7.6535E+00 -8.6619E+00 H2 1908 1.008000 0.423800 9.7760E+00 8.2141E+00 -9.8641E+00 O6 1909 15.999400 -0.847600 -6.0287E+00 -2.5475E+00 7.7291E+00 H1 1910 1.008000 0.423800 -5.4056E+00 -2.6571E+00 6.9546E+00 H2 1911 1.008000 0.423800 -6.8895E+00 -2.1505E+00 7.4106E+00 O6 1912 15.999400 -0.847600 -1.2833E+01 1.7375E+01 -4.3884E+00 H1 1913 1.008000 0.423800 -1.2573E+01 1.7698E+01 -5.2984E+00 H2 1914 1.008000 0.423800 -1.2663E+01 1.6392E+01 -4.3221E+00 O6 1915 15.999400 -0.847600 9.8333E+00 -2.2539E+00 -7.7091E+00 H1 1916 1.008000 0.423800 1.0104E+01 -1.3033E+00 -7.8621E+00 H2 1917 1.008000 0.423800 9.4861E+00 -2.3556E+00 -6.7768E+00 O6 1918 15.999400 -0.847600 -9.1044E+00 1.8378E+01 -8.9574E+00 H1 1919 1.008000 0.423800 -1.0008E+01 1.8146E+01 -9.3183E+00 H2 1920 1.008000 0.423800 -8.4129E+00 1.8218E+01 -9.6620E+00 O6 1921 15.999400 -0.847600 -9.0243E+00 5.5828E-01 1.6923E+01 H1 1922 1.008000 0.423800 -9.7816E+00 1.1505E+00 1.7198E+01 H2 1923 1.008000 0.423800 -8.4804E+00 1.0177E+00 1.6220E+01 O6 1924 15.999400 -0.847600 1.6727E+00 7.0817E+00 -6.6252E-01 H1 1925 1.008000 0.423800 2.3980E+00 6.7722E+00 -4.7586E-02 H2 1926 1.008000 0.423800 1.8810E+00 6.7910E+00 -1.5964E+00 O6 1927 15.999400 -0.847600 -6.4848E+00 1.0243E+01 1.2366E+01 H1 1928 1.008000 0.423800 -6.4397E+00 9.8856E+00 1.1433E+01 H2 1929 1.008000 0.423800 -7.4209E+00 1.0531E+01 1.2568E+01 O6 1930 15.999400 -0.847600 1.2670E+01 -1.1938E+01 -9.1602E+00 H1 1931 1.008000 0.423800 1.2781E+01 -1.1814E+01 -8.1742E+00 H2 1932 1.008000 0.423800 1.2461E+01 -1.2897E+01 -9.3536E+00 O6 1933 15.999400 -0.847600 9.8237E-01 5.0916E+00 1.8088E+01 H1 1934 1.008000 0.423800 2.5068E-01 4.4167E+00 1.8184E+01 H2 1935 1.008000 0.423800 5.8525E-01 5.9880E+00 1.7891E+01 O6 1936 15.999400 -0.847600 -1.5791E+01 2.3252E+00 -1.8489E+01 H1 1937 1.008000 0.423800 -1.5464E+01 1.7069E+00 -1.9204E+01 H2 1938 1.008000 0.423800 -1.5035E+01 2.5578E+00 -1.7878E+01 O6 1939 15.999400 -0.847600 9.9393E+00 4.5973E-01 -5.3013E+00 H1 1940 1.008000 0.423800 9.7795E+00 -4.6794E-01 -4.9637E+00 H2 1941 1.008000 0.423800 1.0263E+01 4.1925E-01 -6.2465E+00 O6 1942 15.999400 -0.847600 1.0646E+00 -8.9335E+00 1.8631E+01 H1 1943 1.008000 0.423800 1.9537E+00 -8.4777E+00 1.8589E+01 H2 1944 1.008000 0.423800 3.8165E-01 -8.2994E+00 1.8993E+01 O6 1945 15.999400 -0.847600 8.8317E+00 -7.3593E-01 1.6164E+01 H1 1946 1.008000 0.423800 9.3261E+00 -4.4471E-01 1.6983E+01 H2 1947 1.008000 0.423800 9.2638E+00 -1.5555E+00 1.5788E+01 O6 1948 15.999400 -0.847600 -1.2461E+01 -1.7637E+01 -7.4401E+00 H1 1949 1.008000 0.423800 -1.2811E+01 -1.8368E+01 -8.0263E+00 H2 1950 1.008000 0.423800 -1.2346E+01 -1.7983E+01 -6.5089E+00 O6 1951 15.999400 -0.847600 -1.8831E+01 -9.6767E+00 1.1342E+01 H1 1952 1.008000 0.423800 -1.8144E+01 -9.4632E+00 1.2037E+01 H2 1953 1.008000 0.423800 -1.8530E+01 -9.3227E+00 1.0456E+01 O6 1954 15.999400 -0.847600 -1.3610E+01 2.9285E+00 4.7768E+00 H1 1955 1.008000 0.423800 -1.2677E+01 3.0798E+00 4.4510E+00 H2 1956 1.008000 0.423800 -1.3713E+01 3.3254E+00 5.6889E+00 O6 1957 15.999400 -0.847600 -9.1575E+00 -9.8693E-01 1.3102E+01 H1 1958 1.008000 0.423800 -8.8356E+00 -1.6464E+00 1.2422E+01 H2 1959 1.008000 0.423800 -8.6915E+00 -1.1286E-01 1.2965E+01 O6 1960 15.999400 -0.847600 -1.8680E+01 1.4420E+01 -1.5965E+01 H1 1961 1.008000 0.423800 -1.8539E+01 1.3648E+01 -1.5345E+01 H2 1962 1.008000 0.423800 -1.8011E+01 1.4379E+01 -1.6707E+01 O6 1963 15.999400 -0.847600 8.1470E+00 1.2821E+01 -1.3134E+01 H1 1964 1.008000 0.423800 8.8918E+00 1.2912E+01 -1.3795E+01 H2 1965 1.008000 0.423800 7.2702E+00 1.2925E+01 -1.3604E+01 O6 1966 15.999400 -0.847600 1.3521E+01 -1.2209E+01 -1.3493E+01 H1 1967 1.008000 0.423800 1.3907E+01 -1.1997E+01 -1.2595E+01 H2 1968 1.008000 0.423800 1.2541E+01 -1.2390E+01 -1.3399E+01 O6 1969 15.999400 -0.847600 -1.3914E+01 1.7003E+01 -1.2750E+01 H1 1970 1.008000 0.423800 -1.3943E+01 1.7251E+01 -1.3718E+01 H2 1971 1.008000 0.423800 -1.2997E+01 1.6681E+01 -1.2515E+01 O6 1972 15.999400 -0.847600 -8.3370E+00 9.4214E+00 -1.6521E+01 H1 1973 1.008000 0.423800 -7.4102E+00 9.1395E+00 -1.6272E+01 H2 1974 1.008000 0.423800 -8.9722E+00 8.6690E+00 -1.6347E+01 O6 1975 15.999400 -0.847600 -9.6551E+00 6.8464E-01 -6.4777E+00 H1 1976 1.008000 0.423800 -1.0175E+01 9.7438E-01 -5.6740E+00 H2 1977 1.008000 0.423800 -8.7637E+00 1.1380E+00 -6.4795E+00 O6 1978 15.999400 -0.847600 1.3685E+01 7.4872E+00 1.9001E+01 H1 1979 1.008000 0.423800 1.2705E+01 7.3909E+00 1.8827E+01 H2 1980 1.008000 0.423800 1.3824E+01 7.9390E+00 -1.9215E+01 O6 1981 15.999400 -0.847600 -1.3240E+01 1.5874E+01 -1.7496E+00 H1 1982 1.008000 0.423800 -1.4238E+01 1.5857E+01 -1.6887E+00 H2 1983 1.008000 0.423800 -1.2889E+01 1.4938E+01 -1.7234E+00 O6 1984 15.999400 -0.847600 -8.0194E+00 9.3482E+00 1.9479E+01 H1 1985 1.008000 0.423800 -9.0002E+00 9.3646E+00 1.9285E+01 H2 1986 1.008000 0.423800 -7.8714E+00 9.4831E+00 -1.8639E+01 O6 1987 15.999400 -0.847600 -1.6165E+01 5.0728E+00 -2.3967E+00 H1 1988 1.008000 0.423800 -1.6570E+01 5.6901E+00 -1.7222E+00 H2 1989 1.008000 0.423800 -1.5690E+01 4.3295E+00 -1.9255E+00 O6 1990 15.999400 -0.847600 9.1277E+00 1.1838E+01 1.8582E+01 H1 1991 1.008000 0.423800 1.0116E+01 1.1691E+01 1.8617E+01 H2 1992 1.008000 0.423800 8.8117E+00 1.2191E+01 1.9462E+01 O6 1993 15.999400 -0.847600 1.3625E+01 1.2062E+01 6.2371E+00 H1 1994 1.008000 0.423800 1.3549E+01 1.3025E+01 6.4954E+00 H2 1995 1.008000 0.423800 1.3467E+01 1.1967E+01 5.2541E+00 O6 1996 15.999400 -0.847600 -1.1206E+01 -1.4826E+01 -1.6576E+01 H1 1997 1.008000 0.423800 -1.0809E+01 -1.4038E+01 -1.7046E+01 H2 1998 1.008000 0.423800 -1.2162E+01 -1.4634E+01 -1.6354E+01 O6 1999 15.999400 -0.847600 -6.6880E+00 3.1746E+00 -1.9201E+01 H1 2000 1.008000 0.423800 -6.4903E+00 3.4556E+00 -1.8262E+01 H2 2001 1.008000 0.423800 -7.6669E+00 3.2738E+00 -1.9379E+01 O6 2002 15.999400 -0.847600 -1.1897E+01 1.8668E+01 4.0105E+00 H1 2003 1.008000 0.423800 -1.1459E+01 1.8772E+01 3.1173E+00 H2 2004 1.008000 0.423800 -1.1216E+01 1.8794E+01 4.7319E+00 O6 2005 15.999400 -0.847600 -3.5947E+00 4.4506E+00 8.1914E+00 H1 2006 1.008000 0.423800 -4.4689E+00 4.9134E+00 8.3385E+00 H2 2007 1.008000 0.423800 -2.9931E+00 4.6189E+00 8.9722E+00 O6 2008 15.999400 -0.847600 6.7637E+00 -1.2735E+01 -1.6647E+01 H1 2009 1.008000 0.423800 6.7955E+00 -1.1736E+01 -1.6678E+01 H2 2010 1.008000 0.423800 7.6552E+00 -1.3089E+01 -1.6364E+01 O6 2011 15.999400 -0.847600 5.0085E+00 -6.6251E+00 1.4758E+01 H1 2012 1.008000 0.423800 5.1377E+00 -6.1744E+00 1.3874E+01 H2 2013 1.008000 0.423800 4.1559E+00 -6.3073E+00 1.5172E+01 O6 2014 15.999400 -0.847600 -1.3416E+01 -6.2665E+00 1.6408E+01 H1 2015 1.008000 0.423800 -1.4342E+01 -6.3486E+00 1.6040E+01 H2 2016 1.008000 0.423800 -1.3036E+01 -7.1788E+00 1.6561E+01 O6 2017 15.999400 -0.847600 1.6480E+01 -1.8718E+01 1.3530E+01 H1 2018 1.008000 0.423800 1.6631E+01 1.9487E+01 1.3954E+01 H2 2019 1.008000 0.423800 1.6620E+01 -1.7998E+01 1.4210E+01 O6 2020 15.999400 -0.847600 -1.0514E+01 1.3398E+01 5.5107E+00 H1 2021 1.008000 0.423800 -1.0713E+01 1.3088E+01 6.4402E+00 H2 2022 1.008000 0.423800 -9.7889E+00 1.4086E+01 5.5373E+00 O6 2023 15.999400 -0.847600 1.2008E+01 1.0934E+01 -1.2619E+01 H1 2024 1.008000 0.423800 1.1869E+01 1.1552E+01 -1.1845E+01 H2 2025 1.008000 0.423800 1.2900E+01 1.1114E+01 -1.3033E+01 O6 2026 15.999400 -0.847600 7.9773E+00 -1.6920E+01 -3.4836E+00 H1 2027 1.008000 0.423800 8.5149E+00 -1.6346E+01 -2.8659E+00 H2 2028 1.008000 0.423800 7.0977E+00 -1.7134E+01 -3.0588E+00 O6 2029 15.999400 -0.847600 -1.7528E+01 2.7342E+00 -8.9721E-01 H1 2030 1.008000 0.423800 -1.7915E+01 3.3155E+00 -1.6133E+00 H2 2031 1.008000 0.423800 -1.8145E+01 1.9671E+00 -7.2157E-01 O6 2032 15.999400 -0.847600 -1.9074E+01 1.7527E+01 1.2720E+01 H1 2033 1.008000 0.423800 1.9119E+01 1.7223E+01 1.2420E+01 H2 2034 1.008000 0.423800 -1.9132E+01 1.8468E+01 1.3053E+01 O6 2035 15.999400 -0.847600 -1.4475E+00 2.7615E+00 1.2022E+01 H1 2036 1.008000 0.423800 -1.9522E+00 2.5692E+00 1.2863E+01 H2 2037 1.008000 0.423800 -4.9123E-01 2.4930E+00 1.2138E+01 O6 2038 15.999400 -0.847600 -1.5787E+01 -1.1384E+01 9.1177E+00 H1 2039 1.008000 0.423800 -1.6087E+01 -1.2298E+01 9.3883E+00 H2 2040 1.008000 0.423800 -1.4968E+01 -1.1456E+01 8.5491E+00 O6 2041 15.999400 -0.847600 6.9257E+00 1.6204E+01 9.5332E+00 H1 2042 1.008000 0.423800 7.4785E+00 1.6784E+01 1.0131E+01 H2 2043 1.008000 0.423800 7.5209E+00 1.5737E+01 8.8796E+00 O6 2044 15.999400 -0.847600 -5.2615E+00 7.0411E+00 -1.3043E+01 H1 2045 1.008000 0.423800 -5.4300E+00 6.5353E+00 -1.3889E+01 H2 2046 1.008000 0.423800 -5.5133E+00 8.0002E+00 -1.3172E+01 O6 2047 15.999400 -0.847600 9.3273E+00 2.8657E+00 1.8951E+01 H1 2048 1.008000 0.423800 8.5693E+00 3.0241E+00 1.8318E+01 H2 2049 1.008000 0.423800 1.0111E+01 3.4242E+00 1.8678E+01 O6 2050 15.999400 -0.847600 -8.8801E+00 -1.4593E+00 -1.1865E+01 H1 2051 1.008000 0.423800 -8.4623E+00 -1.0939E+00 -1.1034E+01 H2 2052 1.008000 0.423800 -8.1968E+00 -1.4927E+00 -1.2595E+01 O6 2053 15.999400 -0.847600 7.7456E+00 1.2312E+01 -7.4625E+00 H1 2054 1.008000 0.423800 7.2576E+00 1.2555E+01 -8.3011E+00 H2 2055 1.008000 0.423800 8.2996E+00 1.3089E+01 -7.1631E+00 O6 2056 15.999400 -0.847600 1.5507E+01 -1.6951E+01 -4.3757E+00 H1 2057 1.008000 0.423800 1.6141E+01 -1.6190E+01 -4.5125E+00 H2 2058 1.008000 0.423800 1.5974E+01 -1.7690E+01 -3.8901E+00 O6 2059 15.999400 -0.847600 -1.7501E+01 -9.4510E+00 8.7045E+00 H1 2060 1.008000 0.423800 -1.6938E+01 -1.0277E+01 8.7142E+00 H2 2061 1.008000 0.423800 -1.8065E+01 -9.4421E+00 7.8787E+00 O6 2062 15.999400 -0.847600 6.8836E+00 -1.1570E+01 9.9579E+00 H1 2063 1.008000 0.423800 7.2809E+00 -1.1408E+01 1.0861E+01 H2 2064 1.008000 0.423800 6.4058E+00 -1.2448E+01 9.9568E+00 O6 2065 15.999400 -0.847600 3.0872E+00 5.1388E+00 -1.9204E+01 H1 2066 1.008000 0.423800 3.7245E+00 4.7624E+00 1.9221E+01 H2 2067 1.008000 0.423800 2.1603E+00 5.1245E+00 1.9518E+01 O6 2068 15.999400 -0.847600 1.1072E+01 4.5776E+00 1.4392E+01 H1 2069 1.008000 0.423800 1.1223E+01 5.5305E+00 1.4129E+01 H2 2070 1.008000 0.423800 1.0483E+01 4.1347E+00 1.3716E+01 O6 2071 15.999400 -0.847600 -8.7193E+00 -8.7085E+00 5.3266E+00 H1 2072 1.008000 0.423800 -9.2622E+00 -8.8523E+00 4.4992E+00 H2 2073 1.008000 0.423800 -7.9233E+00 -9.3136E+00 5.3123E+00 O6 2074 15.999400 -0.847600 -8.5958E+00 -5.5101E+00 -1.0487E+01 H1 2075 1.008000 0.423800 -9.0938E+00 -5.0667E+00 -1.1232E+01 H2 2076 1.008000 0.423800 -8.7571E+00 -6.4965E+00 -1.0519E+01 O6 2077 15.999400 -0.847600 6.6287E+00 4.6254E+00 1.2995E+01 H1 2078 1.008000 0.423800 6.2818E+00 4.3479E+00 1.2099E+01 H2 2079 1.008000 0.423800 6.7305E+00 5.6198E+00 1.3019E+01 O6 2080 15.999400 -0.847600 -8.6692E+00 1.0518E+01 -1.3406E+01 H1 2081 1.008000 0.423800 -9.3739E+00 9.8215E+00 -1.3543E+01 H2 2082 1.008000 0.423800 -9.0658E+00 1.1425E+01 -1.3544E+01 O6 2083 15.999400 -0.847600 5.9166E+00 2.7361E+00 1.4765E+01 H1 2084 1.008000 0.423800 6.1636E+00 3.5808E+00 1.4290E+01 H2 2085 1.008000 0.423800 4.9373E+00 2.5663E+00 1.4656E+01 O6 2086 15.999400 -0.847600 -1.0961E+01 -2.1777E+00 5.8543E+00 H1 2087 1.008000 0.423800 -1.1752E+01 -2.6460E+00 6.2488E+00 H2 2088 1.008000 0.423800 -1.0412E+01 -2.8314E+00 5.3330E+00 O6 2089 15.999400 -0.847600 -6.0170E+00 3.0100E+00 2.4075E+00 H1 2090 1.008000 0.423800 -6.1221E+00 2.1380E+00 1.9295E+00 H2 2091 1.008000 0.423800 -5.2930E+00 3.5442E+00 1.9711E+00 O6 2092 15.999400 -0.847600 -1.8346E+01 -9.8105E-01 -1.7134E+01 H1 2093 1.008000 0.423800 -1.8787E+01 -1.8205E+00 -1.7452E+01 H2 2094 1.008000 0.423800 -1.8433E+01 -9.1544E-01 -1.6140E+01 O6 2095 15.999400 -0.847600 1.4662E+01 6.9421E+00 1.0693E+01 H1 2096 1.008000 0.423800 1.5058E+01 6.5705E+00 1.1533E+01 H2 2097 1.008000 0.423800 1.4704E+01 6.2513E+00 9.9713E+00 O6 2098 15.999400 -0.847600 -1.9117E+01 7.5149E+00 -1.5410E+01 H1 2099 1.008000 0.423800 -1.8530E+01 6.8574E+00 -1.5882E+01 H2 2100 1.008000 0.423800 1.9120E+01 7.0720E+00 -1.5158E+01 O6 2101 15.999400 -0.847600 -1.1377E+01 -1.5716E+01 3.5148E+00 H1 2102 1.008000 0.423800 -1.0717E+01 -1.5874E+01 2.7809E+00 H2 2103 1.008000 0.423800 -1.1861E+01 -1.6568E+01 3.7173E+00 O6 2104 15.999400 -0.847600 -4.1581E+00 -4.3867E+00 -5.8949E+00 H1 2105 1.008000 0.423800 -4.6443E+00 -5.2103E+00 -5.6027E+00 H2 2106 1.008000 0.423800 -3.8919E+00 -3.8542E+00 -5.0914E+00 O6 2107 15.999400 -0.847600 9.8669E+00 3.6669E+00 5.2795E+00 H1 2108 1.008000 0.423800 9.1880E+00 3.2339E+00 5.8723E+00 H2 2109 1.008000 0.423800 9.9621E+00 3.1352E+00 4.4379E+00 O6 2110 15.999400 -0.847600 1.7695E+01 -8.2718E+00 -1.8240E+01 H1 2111 1.008000 0.423800 1.8424E+01 -7.6864E+00 -1.8595E+01 H2 2112 1.008000 0.423800 1.7997E+01 -8.7018E+00 -1.7390E+01 O6 2113 15.999400 -0.847600 1.4811E+01 6.3921E+00 1.1394E+00 H1 2114 1.008000 0.423800 1.4255E+01 6.9030E+00 4.8394E-01 H2 2115 1.008000 0.423800 1.4487E+01 6.5761E+00 2.0670E+00 O6 2116 15.999400 -0.847600 -1.0367E+01 -1.8907E+01 -1.8127E+00 H1 2117 1.008000 0.423800 -1.0406E+01 -1.9102E+01 -2.7926E+00 H2 2118 1.008000 0.423800 -9.5862E+00 -1.8311E+01 -1.6232E+00 O6 2119 15.999400 -0.847600 1.0027E+01 1.2815E+01 6.4715E+00 H1 2120 1.008000 0.423800 9.6026E+00 1.1996E+01 6.8576E+00 H2 2121 1.008000 0.423800 1.0061E+01 1.2734E+01 5.4753E+00 O6 2122 15.999400 -0.847600 -6.9896E-01 1.6634E+01 1.4929E+01 H1 2123 1.008000 0.423800 2.8213E-01 1.6820E+01 1.4874E+01 H2 2124 1.008000 0.423800 -8.4490E-01 1.5729E+01 1.5328E+01 O6 2125 15.999400 -0.847600 8.1633E+00 1.6927E+01 5.2527E-01 H1 2126 1.008000 0.423800 8.0425E+00 1.6890E+01 -4.6673E-01 H2 2127 1.008000 0.423800 7.2856E+00 1.7128E+01 9.6049E-01 O6 2128 15.999400 -0.847600 1.6622E+01 1.8220E+00 1.2488E+01 H1 2129 1.008000 0.423800 1.6409E+01 9.7097E-01 1.2008E+01 H2 2130 1.008000 0.423800 1.5783E+01 2.2058E+00 1.2875E+01 O6 2131 15.999400 -0.847600 1.0814E+01 -5.7881E+00 -1.4679E+01 H1 2132 1.008000 0.423800 1.0990E+01 -6.6963E+00 -1.4299E+01 H2 2133 1.008000 0.423800 1.0941E+01 -5.0985E+00 -1.3966E+01 O6 2134 15.999400 -0.847600 -1.2067E+01 7.8893E+00 -3.3623E+00 H1 2135 1.008000 0.423800 -1.2974E+01 7.4684E+00 -3.3640E+00 H2 2136 1.008000 0.423800 -1.1905E+01 8.3281E+00 -2.4785E+00 O6 2137 15.999400 -0.847600 -7.7196E+00 8.9464E+00 6.5996E+00 H1 2138 1.008000 0.423800 -7.4101E+00 9.3330E+00 7.4683E+00 H2 2139 1.008000 0.423800 -7.1361E+00 9.2804E+00 5.8594E+00 O6 2140 15.999400 -0.847600 7.7840E+00 -1.4687E+01 7.2140E+00 H1 2141 1.008000 0.423800 7.1541E+00 -1.3914E+01 7.1398E+00 H2 2142 1.008000 0.423800 8.7166E+00 -1.4375E+01 7.0316E+00 O6 2143 15.999400 -0.847600 -1.7024E+01 9.3545E+00 1.1215E+01 H1 2144 1.008000 0.423800 -1.7436E+01 8.4435E+00 1.1195E+01 H2 2145 1.008000 0.423800 -1.7619E+01 9.9998E+00 1.0736E+01 O6 2146 15.999400 -0.847600 -9.9388E+00 -1.2875E+01 9.8179E+00 H1 2147 1.008000 0.423800 -9.8314E+00 -1.3134E+01 1.0778E+01 H2 2148 1.008000 0.423800 -1.0242E+01 -1.3668E+01 9.2901E+00 O6 2149 15.999400 -0.847600 -1.0209E+01 -1.9421E+01 -1.5076E+01 H1 2150 1.008000 0.423800 -1.0548E+01 1.8804E+01 -1.5427E+01 H2 2151 1.008000 0.423800 -9.8332E+00 1.9544E+01 -1.4159E+01 O6 2152 15.999400 -0.847600 -1.9902E+00 1.9708E+00 1.7860E+00 H1 2153 1.008000 0.423800 -2.1929E+00 2.8280E+00 2.2593E+00 H2 2154 1.008000 0.423800 -2.0688E+00 1.2086E+00 2.4286E+00 O6 2155 15.999400 -0.847600 -5.3124E+00 -2.8606E+00 1.1296E+01 H1 2156 1.008000 0.423800 -6.2914E+00 -3.0428E+00 1.1388E+01 H2 2157 1.008000 0.423800 -5.1781E+00 -2.0060E+00 1.0794E+01 O6 2158 15.999400 -0.847600 -3.5566E+00 1.3011E+01 1.6520E+01 H1 2159 1.008000 0.423800 -4.2286E+00 1.2292E+01 1.6699E+01 H2 2160 1.008000 0.423800 -3.9553E+00 1.3696E+01 1.5910E+01 O6 2161 15.999400 -0.847600 -5.8074E+00 -3.2835E-01 -1.5556E+01 H1 2162 1.008000 0.423800 -6.5966E+00 2.6839E-01 -1.5702E+01 H2 2163 1.008000 0.423800 -5.9240E+00 -1.1696E+00 -1.6084E+01 O6 2164 15.999400 -0.847600 2.9567E+00 3.1898E+00 -9.6858E+00 H1 2165 1.008000 0.423800 3.4494E+00 3.1912E+00 -8.8156E+00 H2 2166 1.008000 0.423800 2.2655E+00 2.4673E+00 -9.6763E+00 O6 2167 15.999400 -0.847600 1.5071E+01 -9.7704E+00 -2.2459E+00 H1 2168 1.008000 0.423800 1.4247E+01 -9.5711E+00 -2.7757E+00 H2 2169 1.008000 0.423800 1.5768E+01 -9.0804E+00 -2.4416E+00 O6 2170 15.999400 -0.847600 -3.9587E+00 8.4480E+00 1.2837E+01 H1 2171 1.008000 0.423800 -4.7497E+00 8.8622E+00 1.3287E+01 H2 2172 1.008000 0.423800 -3.1919E+00 9.0897E+00 1.2853E+01 O6 2173 15.999400 -0.847600 -1.3449E+00 5.8218E+00 1.4995E+01 H1 2174 1.008000 0.423800 -2.2436E+00 5.3836E+00 1.5011E+01 H2 2175 1.008000 0.423800 -6.3203E-01 5.1205E+00 1.4999E+01 O6 2176 15.999400 -0.847600 7.3744E+00 4.7371E+00 1.7398E+01 H1 2177 1.008000 0.423800 6.8731E+00 4.5824E+00 1.8249E+01 H2 2178 1.008000 0.423800 6.7257E+00 4.8532E+00 1.6646E+01 O6 2179 15.999400 -0.847600 5.4675E+00 3.8397E+00 -5.7328E+00 H1 2180 1.008000 0.423800 5.5632E+00 2.9000E+00 -6.0613E+00 H2 2181 1.008000 0.423800 4.9460E+00 3.8429E+00 -4.8796E+00 O6 2182 15.999400 -0.847600 1.3908E+01 1.2411E+01 -1.9430E+01 H1 2183 1.008000 0.423800 1.3911E+01 1.1613E+01 1.9065E+01 H2 2184 1.008000 0.423800 1.4195E+01 1.3219E+01 1.9152E+01 O6 2185 15.999400 -0.847600 -5.8431E+00 -1.4285E+01 -1.5840E+01 H1 2186 1.008000 0.423800 -5.9878E+00 -1.5156E+01 -1.5369E+01 H2 2187 1.008000 0.423800 -5.9361E+00 -1.4419E+01 -1.6826E+01 O6 2188 15.999400 -0.847600 3.3424E+00 5.9988E+00 1.4702E+00 H1 2189 1.008000 0.423800 2.4940E+00 6.1333E+00 1.9823E+00 H2 2190 1.008000 0.423800 4.1006E+00 6.4250E+00 1.9636E+00 O6 2191 15.999400 -0.847600 1.3433E+00 -3.9047E+00 -1.7224E+01 H1 2192 1.008000 0.423800 1.0647E+00 -3.1240E+00 -1.7784E+01 H2 2193 1.008000 0.423800 9.2444E-01 -3.8325E+00 -1.6319E+01 O6 2194 15.999400 -0.847600 -1.2713E+01 1.0766E+01 1.5127E+01 H1 2195 1.008000 0.423800 -1.2205E+01 1.1078E+01 1.4324E+01 H2 2196 1.008000 0.423800 -1.2072E+01 1.0536E+01 1.5859E+01 O6 2197 15.999400 -0.847600 -7.0580E-01 8.2235E+00 -1.7528E+01 H1 2198 1.008000 0.423800 2.1469E-01 8.0646E+00 -1.7885E+01 H2 2199 1.008000 0.423800 -1.3042E+00 7.4708E+00 -1.7802E+01 O6 2200 15.999400 -0.847600 -6.3616E+00 -1.5951E+01 1.3202E+01 H1 2201 1.008000 0.423800 -6.2146E+00 -1.5290E+01 1.3938E+01 H2 2202 1.008000 0.423800 -5.9427E+00 -1.5611E+01 1.2360E+01 O6 2203 15.999400 -0.847600 1.5747E+01 1.2181E+01 8.4501E+00 H1 2204 1.008000 0.423800 1.5329E+01 1.2546E+01 9.2821E+00 H2 2205 1.008000 0.423800 1.5031E+01 1.1841E+01 7.8398E+00 O6 2206 15.999400 -0.847600 1.8384E+00 -1.0508E+01 9.2559E+00 H1 2207 1.008000 0.423800 2.4437E+00 -9.8861E+00 9.7527E+00 H2 2208 1.008000 0.423800 2.3868E+00 -1.1180E+01 8.7588E+00 O6 2209 15.999400 -0.847600 5.6018E+00 3.2192E+00 -1.6862E+01 H1 2210 1.008000 0.423800 5.9644E+00 2.8924E+00 -1.5989E+01 H2 2211 1.008000 0.423800 4.6369E+00 2.9677E+00 -1.6937E+01 O6 2212 15.999400 -0.847600 1.8944E+01 1.5565E+01 2.2696E+00 H1 2213 1.008000 0.423800 -1.9309E+01 1.5994E+01 1.9489E+00 H2 2214 1.008000 0.423800 1.9127E+01 1.5057E+01 3.1107E+00 O6 2215 15.999400 -0.847600 -4.8516E+00 -1.8865E+01 1.5165E+01 H1 2216 1.008000 0.423800 -4.0058E+00 -1.9113E+01 1.4693E+01 H2 2217 1.008000 0.423800 -4.8515E+00 -1.9264E+01 1.6081E+01 O6 2218 15.999400 -0.847600 -1.7329E+01 -1.1303E+01 -1.2517E+01 H1 2219 1.008000 0.423800 -1.6801E+01 -1.2036E+01 -1.2088E+01 H2 2220 1.008000 0.423800 -1.7712E+01 -1.0710E+01 -1.1809E+01 O6 2221 15.999400 -0.847600 -1.4639E+01 6.8751E+00 -3.4200E+00 H1 2222 1.008000 0.423800 -1.4882E+01 7.6700E+00 -2.8643E+00 H2 2223 1.008000 0.423800 -1.5119E+01 6.0683E+00 -3.0764E+00 O6 2224 15.999400 -0.847600 1.6465E+01 -1.0647E+01 -9.4099E+00 H1 2225 1.008000 0.423800 1.6707E+01 -1.0436E+01 -8.4628E+00 H2 2226 1.008000 0.423800 1.7295E+01 -1.0677E+01 -9.9671E+00 O6 2227 15.999400 -0.847600 1.2885E+01 -7.4192E+00 1.5279E+01 H1 2228 1.008000 0.423800 1.2292E+01 -8.0889E+00 1.4832E+01 H2 2229 1.008000 0.423800 1.3763E+01 -7.3812E+00 1.4802E+01 O6 2230 15.999400 -0.847600 -1.2902E+01 8.5620E+00 2.9637E+00 H1 2231 1.008000 0.423800 -1.3896E+01 8.5826E+00 2.8510E+00 H2 2232 1.008000 0.423800 -1.2565E+01 7.6391E+00 2.7781E+00 O6 2233 15.999400 -0.847600 -1.5916E+01 8.9055E+00 -1.5958E+00 H1 2234 1.008000 0.423800 -1.5343E+01 9.7244E+00 -1.5566E+00 H2 2235 1.008000 0.423800 -1.6650E+01 9.0439E+00 -2.2605E+00 O6 2236 15.999400 -0.847600 -9.5323E+00 2.5173E+00 -1.3113E+01 H1 2237 1.008000 0.423800 -9.8646E+00 1.5914E+00 -1.3293E+01 H2 2238 1.008000 0.423800 -9.9453E+00 2.8619E+00 -1.2270E+01 O6 2239 15.999400 -0.847600 -8.1226E+00 -1.4798E+01 -3.6524E+00 H1 2240 1.008000 0.423800 -8.0557E+00 -1.4025E+01 -3.0213E+00 H2 2241 1.008000 0.423800 -7.5890E+00 -1.5566E+01 -3.2973E+00 O6 2242 15.999400 -0.847600 1.2433E+01 3.7881E+00 5.9196E+00 H1 2243 1.008000 0.423800 1.1456E+01 3.6798E+00 5.7350E+00 H2 2244 1.008000 0.423800 1.2660E+01 4.7614E+00 5.9504E+00 O6 2245 15.999400 -0.847600 -4.4601E+00 -9.4497E+00 -5.8546E+00 H1 2246 1.008000 0.423800 -4.2695E+00 -9.7768E+00 -6.7802E+00 H2 2247 1.008000 0.423800 -5.3469E+00 -9.8002E+00 -5.5533E+00 O6 2248 15.999400 -0.847600 1.3591E+01 1.7420E+01 -5.0976E+00 H1 2249 1.008000 0.423800 1.3676E+01 1.8335E+01 -5.4936E+00 H2 2250 1.008000 0.423800 1.3826E+01 1.7455E+01 -4.1263E+00 O6 2251 15.999400 -0.847600 -8.4750E+00 -2.7179E+00 1.0903E+01 H1 2252 1.008000 0.423800 -8.5847E+00 -2.1305E+00 1.0101E+01 H2 2253 1.008000 0.423800 -8.9601E+00 -3.5796E+00 1.0754E+01 O6 2254 15.999400 -0.847600 -1.2833E+01 -2.0287E+00 -3.4066E+00 H1 2255 1.008000 0.423800 -1.2218E+01 -2.1977E+00 -4.1770E+00 H2 2256 1.008000 0.423800 -1.3773E+01 -2.2337E+00 -3.6792E+00 O6 2257 15.999400 -0.847600 -1.8801E+01 1.5972E+01 -6.9884E+00 H1 2258 1.008000 0.423800 -1.9277E+01 1.5850E+01 -6.1172E+00 H2 2259 1.008000 0.423800 -1.7886E+01 1.5574E+01 -6.9262E+00 O6 2260 15.999400 -0.847600 -1.8915E+01 9.7057E+00 -1.3884E+01 H1 2261 1.008000 0.423800 1.9547E+01 9.6940E+00 -1.3113E+01 H2 2262 1.008000 0.423800 -1.9023E+01 8.8669E+00 -1.4418E+01 O6 2263 15.999400 -0.847600 1.2503E+01 1.6542E+01 -7.3509E+00 H1 2264 1.008000 0.423800 1.3000E+01 1.6822E+01 -6.5298E+00 H2 2265 1.008000 0.423800 1.2437E+01 1.7315E+01 -7.9815E+00 O6 2266 15.999400 -0.847600 -1.3180E+01 -9.5772E-01 -7.1746E+00 H1 2267 1.008000 0.423800 -1.2424E+01 -1.4862E+00 -6.7882E+00 H2 2268 1.008000 0.423800 -1.3918E+01 -1.5777E+00 -7.4424E+00 O6 2269 15.999400 -0.847600 3.1351E+00 -1.1536E+01 -1.3061E+01 H1 2270 1.008000 0.423800 2.3684E+00 -1.2146E+01 -1.3263E+01 H2 2271 1.008000 0.423800 3.9950E+00 -1.2035E+01 -1.3172E+01 O6 2272 15.999400 -0.847600 -4.5609E+00 1.8989E+01 1.7515E+01 H1 2273 1.008000 0.423800 -4.3248E+00 1.8104E+01 1.7114E+01 H2 2274 1.008000 0.423800 -3.7973E+00 1.9318E+01 1.8071E+01 O6 2275 15.999400 -0.847600 -1.6818E+01 3.1027E+00 1.4397E+01 H1 2276 1.008000 0.423800 -1.7646E+01 3.6520E+00 1.4509E+01 H2 2277 1.008000 0.423800 -1.6156E+01 3.6070E+00 1.3842E+01 O6 2278 15.999400 -0.847600 -4.1051E+00 1.4913E+01 1.4338E+01 H1 2279 1.008000 0.423800 -4.4825E+00 1.5655E+01 1.3785E+01 H2 2280 1.008000 0.423800 -4.1666E+00 1.4054E+01 1.3830E+01 O6 2281 15.999400 -0.847600 1.0696E+01 1.7764E+01 1.4431E+01 H1 2282 1.008000 0.423800 1.0945E+01 1.6806E+01 1.4573E+01 H2 2283 1.008000 0.423800 9.7463E+00 1.7819E+01 1.4123E+01 O6 2284 15.999400 -0.847600 5.7356E+00 1.3489E+01 -1.4405E+01 H1 2285 1.008000 0.423800 5.6276E+00 1.2610E+01 -1.4871E+01 H2 2286 1.008000 0.423800 6.1537E+00 1.4148E+01 -1.5029E+01 O6 2287 15.999400 -0.847600 1.2511E+01 1.9298E+01 -7.7299E+00 H1 2288 1.008000 0.423800 1.2198E+01 -1.8902E+01 -8.0401E+00 H2 2289 1.008000 0.423800 1.3228E+01 1.9413E+01 -7.0434E+00 O6 2290 15.999400 -0.847600 -1.6289E+01 -6.5209E+00 -1.0920E+01 H1 2291 1.008000 0.423800 -1.6262E+01 -5.7122E+00 -1.1508E+01 H2 2292 1.008000 0.423800 -1.6984E+01 -6.3956E+00 -1.0212E+01 O6 2293 15.999400 -0.847600 3.0712E+00 -9.1589E+00 5.0577E+00 H1 2294 1.008000 0.423800 3.4241E+00 -8.2355E+00 4.9067E+00 H2 2295 1.008000 0.423800 2.1872E+00 -9.2567E+00 4.6005E+00 O6 2296 15.999400 -0.847600 3.3998E-01 -9.5416E+00 -4.5475E-02 H1 2297 1.008000 0.423800 -4.3733E-01 -1.0024E+01 -4.4882E-01 H2 2298 1.008000 0.423800 8.4368E-01 -9.0620E+00 -7.6401E-01 O6 2299 15.999400 -0.847600 1.4514E+01 -1.3696E+01 -1.5455E+01 H1 2300 1.008000 0.423800 1.4271E+01 -1.3002E+01 -1.4777E+01 H2 2301 1.008000 0.423800 1.3985E+01 -1.3546E+01 -1.6290E+01 O6 2302 15.999400 -0.847600 -1.5939E+01 8.9166E-01 7.4976E+00 H1 2303 1.008000 0.423800 -1.4998E+01 5.6462E-01 7.5858E+00 H2 2304 1.008000 0.423800 -1.6559E+01 2.4800E-01 7.9463E+00 O6 2305 15.999400 -0.847600 5.3698E+00 -3.5558E-01 -8.7468E+00 H1 2306 1.008000 0.423800 5.8888E+00 1.3656E-01 -9.4458E+00 H2 2307 1.008000 0.423800 4.4977E+00 -6.5872E-01 -9.1310E+00 O6 2308 15.999400 -0.847600 2.4991E+00 6.5604E-02 -1.8460E+01 H1 2309 1.008000 0.423800 1.8607E+00 -6.3107E-01 -1.8787E+01 H2 2310 1.008000 0.423800 3.3754E+00 -3.6268E-01 -1.8239E+01 O6 2311 15.999400 -0.847600 5.2770E+00 -1.3090E+01 -1.3767E+01 H1 2312 1.008000 0.423800 4.8967E+00 -1.3926E+01 -1.3372E+01 H2 2313 1.008000 0.423800 5.6657E+00 -1.3293E+01 -1.4666E+01 O6 2314 15.999400 -0.847600 -5.1827E+00 2.6581E+00 1.2091E+01 H1 2315 1.008000 0.423800 -5.3167E+00 2.6763E+00 1.3082E+01 H2 2316 1.008000 0.423800 -4.3218E+00 2.1954E+00 1.1880E+01 O6 2317 15.999400 -0.847600 -6.1867E+00 -1.4534E+01 -1.8482E+01 H1 2318 1.008000 0.423800 -6.8623E+00 -1.5159E+01 -1.8875E+01 H2 2319 1.008000 0.423800 -5.5792E+00 -1.4204E+01 -1.9205E+01 O6 2320 15.999400 -0.847600 -4.4900E+00 -1.4176E+01 1.8376E+01 H1 2321 1.008000 0.423800 -5.0444E+00 -1.3496E+01 1.7896E+01 H2 2322 1.008000 0.423800 -4.6223E+00 -1.5073E+01 1.7954E+01 O6 2323 15.999400 -0.847600 7.0934E-01 -1.3188E+01 -1.3935E+01 H1 2324 1.008000 0.423800 7.8873E-01 -1.2923E+01 -1.4896E+01 H2 2325 1.008000 0.423800 -2.5640E-01 -1.3288E+01 -1.3695E+01 O6 2326 15.999400 -0.847600 1.2888E+01 -8.6142E+00 -7.3764E+00 H1 2327 1.008000 0.423800 1.3083E+01 -9.5320E+00 -7.0305E+00 H2 2328 1.008000 0.423800 1.3704E+01 -8.0438E+00 -7.2868E+00 O6 2329 15.999400 -0.847600 1.3678E+01 1.6123E+01 1.4597E+01 H1 2330 1.008000 0.423800 1.3611E+01 1.6114E+01 1.3599E+01 H2 2331 1.008000 0.423800 1.3942E+01 1.7037E+01 1.4905E+01 O6 2332 15.999400 -0.847600 -1.5406E+01 -1.5203E+01 4.7751E+00 H1 2333 1.008000 0.423800 -1.4759E+01 -1.4900E+01 4.0749E+00 H2 2334 1.008000 0.423800 -1.6293E+01 -1.4768E+01 4.6198E+00 O6 2335 15.999400 -0.847600 -1.2648E+01 -2.4962E+00 1.2056E+01 H1 2336 1.008000 0.423800 -1.3617E+01 -2.3280E+00 1.2240E+01 H2 2337 1.008000 0.423800 -1.2547E+01 -3.3671E+00 1.1575E+01 O6 2338 15.999400 -0.847600 1.2555E+01 -1.6041E+01 -1.7620E+01 H1 2339 1.008000 0.423800 1.3148E+01 -1.6818E+01 -1.7407E+01 H2 2340 1.008000 0.423800 1.2994E+01 -1.5195E+01 -1.7317E+01 O6 2341 15.999400 -0.847600 -5.5238E+00 -8.0303E+00 1.2485E+01 H1 2342 1.008000 0.423800 -4.9602E+00 -8.8469E+00 1.2610E+01 H2 2343 1.008000 0.423800 -5.4579E+00 -7.4520E+00 1.3298E+01 O6 2344 15.999400 -0.847600 -1.6097E+01 1.0342E+01 -1.5112E+01 H1 2345 1.008000 0.423800 -1.7095E+01 1.0291E+01 -1.5068E+01 H2 2346 1.008000 0.423800 -1.5809E+01 1.0394E+01 -1.6068E+01 O6 2347 15.999400 -0.847600 1.5854E+01 -1.2796E+01 -5.0735E+00 H1 2348 1.008000 0.423800 1.5092E+01 -1.2981E+01 -5.6945E+00 H2 2349 1.008000 0.423800 1.5533E+01 -1.2849E+01 -4.1278E+00 O6 2350 15.999400 -0.847600 -7.1420E+00 2.0231E+00 -5.9125E+00 H1 2351 1.008000 0.423800 -6.2926E+00 2.1222E+00 -5.3941E+00 H2 2352 1.008000 0.423800 -7.0065E+00 2.3647E+00 -6.8426E+00 O6 2353 15.999400 -0.847600 1.5207E+01 5.8369E+00 -1.1934E+01 H1 2354 1.008000 0.423800 1.6052E+01 5.7090E+00 -1.1415E+01 H2 2355 1.008000 0.423800 1.4446E+01 5.9859E+00 -1.1302E+01 O6 2356 15.999400 -0.847600 -4.8781E+00 1.0997E+00 1.9151E+01 H1 2357 1.008000 0.423800 -4.0066E+00 1.3445E+00 -1.9522E+01 H2 2358 1.008000 0.423800 -5.5562E+00 1.8073E+00 1.9349E+01 O6 2359 15.999400 -0.847600 -1.6227E+01 -1.7973E+01 7.5938E+00 H1 2360 1.008000 0.423800 -1.5417E+01 -1.8363E+01 8.0315E+00 H2 2361 1.008000 0.423800 -1.6630E+01 -1.8649E+01 6.9757E+00 O6 2362 15.999400 -0.847600 -1.4437E+01 5.9446E+00 -1.2769E+01 H1 2363 1.008000 0.423800 -1.3998E+01 5.0543E+00 -1.2890E+01 H2 2364 1.008000 0.423800 -1.3770E+01 6.6001E+00 -1.2416E+01 O6 2365 15.999400 -0.847600 -1.8769E+01 6.0490E+00 1.9435E+01 H1 2366 1.008000 0.423800 -1.8830E+01 6.3814E+00 1.8493E+01 H2 2367 1.008000 0.423800 1.9408E+01 5.9098E+00 -1.9298E+01 O6 2368 15.999400 -0.847600 -4.8867E+00 -1.8281E+01 -6.2924E+00 H1 2369 1.008000 0.423800 -5.4228E+00 -1.8835E+01 -6.9293E+00 H2 2370 1.008000 0.423800 -5.3586E+00 -1.7415E+01 -6.1247E+00 O6 2371 15.999400 -0.847600 -3.3779E+00 7.4807E+00 1.8676E+01 H1 2372 1.008000 0.423800 -3.4569E+00 7.5261E+00 1.7680E+01 H2 2373 1.008000 0.423800 -4.0520E+00 6.8351E+00 1.9035E+01 O6 2374 15.999400 -0.847600 -7.3572E+00 1.9295E+00 7.9169E+00 H1 2375 1.008000 0.423800 -7.0771E+00 2.5829E+00 8.6202E+00 H2 2376 1.008000 0.423800 -8.2890E+00 2.1383E+00 7.6202E+00 O6 2377 15.999400 -0.847600 -1.3217E+01 1.3909E+01 9.9888E+00 H1 2378 1.008000 0.423800 -1.3790E+01 1.3221E+01 1.0432E+01 H2 2379 1.008000 0.423800 -1.2382E+01 1.4042E+01 1.0523E+01 O6 2380 15.999400 -0.847600 -1.4346E+01 -1.3311E+01 -1.2975E+01 H1 2381 1.008000 0.423800 -1.4238E+01 -1.2477E+01 -1.3515E+01 H2 2382 1.008000 0.423800 -1.4907E+01 -1.3117E+01 -1.2170E+01 O6 2383 15.999400 -0.847600 1.2643E+01 -1.9056E+01 3.3910E+00 H1 2384 1.008000 0.423800 1.1990E+01 -1.9056E+01 2.6342E+00 H2 2385 1.008000 0.423800 1.2842E+01 1.9099E+01 3.6597E+00 O6 2386 15.999400 -0.847600 1.5313E+00 6.3875E+00 9.4486E+00 H1 2387 1.008000 0.423800 2.5018E+00 6.6285E+00 9.4439E+00 H2 2388 1.008000 0.423800 1.0223E+00 7.0644E+00 9.9803E+00 O6 2389 15.999400 -0.847600 1.9254E+01 -4.5353E+00 -1.1955E+01 H1 2390 1.008000 0.423800 1.8910E+01 -4.1517E+00 -1.2812E+01 H2 2391 1.008000 0.423800 -1.9086E+01 -5.1588E+00 -1.2149E+01 O6 2392 15.999400 -0.847600 1.0800E+01 2.2402E+00 -3.6386E+00 H1 2393 1.008000 0.423800 1.0609E+01 1.5727E+00 -4.3582E+00 H2 2394 1.008000 0.423800 1.0914E+01 3.1463E+00 -4.0463E+00 O6 2395 15.999400 -0.847600 9.1683E+00 -2.3060E+00 -5.1097E+00 H1 2396 1.008000 0.423800 9.8188E+00 -2.5231E+00 -4.3818E+00 H2 2397 1.008000 0.423800 8.4959E+00 -3.0422E+00 -5.1861E+00 O6 2398 15.999400 -0.847600 -4.0671E+00 6.6402E+00 -5.1835E+00 H1 2399 1.008000 0.423800 -3.0738E+00 6.5752E+00 -5.0884E+00 H2 2400 1.008000 0.423800 -4.5015E+00 5.9190E+00 -4.6441E+00 O6 2401 15.999400 -0.847600 -1.4452E+01 5.7571E+00 -6.1163E+00 H1 2402 1.008000 0.423800 -1.3629E+01 6.0983E+00 -5.6623E+00 H2 2403 1.008000 0.423800 -1.4715E+01 4.8802E+00 -5.7141E+00 O6 2404 15.999400 -0.847600 -1.8547E+01 5.0407E+00 -4.5012E+00 H1 2405 1.008000 0.423800 -1.7581E+01 4.7822E+00 -4.5166E+00 H2 2406 1.008000 0.423800 -1.8638E+01 6.0033E+00 -4.7561E+00 O6 2407 15.999400 -0.847600 -6.5167E+00 -1.4850E+01 -9.5567E+00 H1 2408 1.008000 0.423800 -6.9795E+00 -1.5671E+01 -9.2224E+00 H2 2409 1.008000 0.423800 -7.1858E+00 -1.4240E+01 -9.9804E+00 O6 2410 15.999400 -0.847600 1.4695E+01 -4.3308E+00 -1.7667E+01 H1 2411 1.008000 0.423800 1.5114E+01 -5.1990E+00 -1.7933E+01 H2 2412 1.008000 0.423800 1.3908E+01 -4.5078E+00 -1.7077E+01 O6 2413 15.999400 -0.847600 -1.6545E+01 1.2244E+01 1.4854E-01 H1 2414 1.008000 0.423800 -1.6314E+01 1.1476E+01 7.4518E-01 H2 2415 1.008000 0.423800 -1.5830E+01 1.2940E+01 2.0936E-01 O6 2416 15.999400 -0.847600 -6.8150E+00 4.8835E+00 -4.3742E-01 H1 2417 1.008000 0.423800 -5.8702E+00 4.7508E+00 -1.3777E-01 H2 2418 1.008000 0.423800 -6.9304E+00 5.8190E+00 -7.7129E-01 O6 2419 15.999400 -0.847600 1.0263E+01 -1.3368E+01 7.1810E+00 H1 2420 1.008000 0.423800 1.0735E+01 -1.2573E+01 7.5603E+00 H2 2421 1.008000 0.423800 1.0899E+01 -1.3898E+01 6.6202E+00 O6 2422 15.999400 -0.847600 -1.0709E+01 -1.0919E+01 1.4883E+01 H1 2423 1.008000 0.423800 -1.0542E+01 -1.1646E+01 1.5549E+01 H2 2424 1.008000 0.423800 -1.1208E+01 -1.0172E+01 1.5323E+01 O6 2425 15.999400 -0.847600 -7.0976E+00 -6.1298E-01 -9.7704E+00 H1 2426 1.008000 0.423800 -6.6185E+00 -5.2465E-01 -8.8971E+00 H2 2427 1.008000 0.423800 -7.4674E+00 2.7641E-01 -1.0039E+01 O6 2428 15.999400 -0.847600 1.6606E+01 -1.0911E+01 2.2882E-01 H1 2429 1.008000 0.423800 1.7416E+01 -1.1171E+01 -2.9785E-01 H2 2430 1.008000 0.423800 1.6000E+01 -1.0358E+01 -3.4257E-01 O6 2431 15.999400 -0.847600 1.6955E+00 1.0188E+01 8.0122E+00 H1 2432 1.008000 0.423800 1.8382E+00 1.1140E+01 8.2854E+00 H2 2433 1.008000 0.423800 9.9494E-01 1.0148E+01 7.2998E+00 O6 2434 15.999400 -0.847600 8.6181E+00 -7.6476E+00 1.0166E+01 H1 2435 1.008000 0.423800 8.8794E+00 -6.6981E+00 9.9921E+00 H2 2436 1.008000 0.423800 7.8923E+00 -7.9151E+00 9.5323E+00 O6 2437 15.999400 -0.847600 -1.8748E+01 -1.3589E+01 1.5219E+01 H1 2438 1.008000 0.423800 -1.8728E+01 -1.2686E+01 1.5648E+01 H2 2439 1.008000 0.423800 -1.7943E+01 -1.3700E+01 1.4636E+01 O6 2440 15.999400 -0.847600 -1.5177E+01 -9.7952E+00 1.1230E+01 H1 2441 1.008000 0.423800 -1.5170E+01 -8.8137E+00 1.1038E+01 H2 2442 1.008000 0.423800 -1.5539E+01 -1.0287E+01 1.0437E+01 O6 2443 15.999400 -0.847600 4.2324E+00 -1.5329E+01 -1.3139E+01 H1 2444 1.008000 0.423800 3.4405E+00 -1.5571E+01 -1.2579E+01 H2 2445 1.008000 0.423800 4.7152E+00 -1.6162E+01 -1.3411E+01 O6 2446 15.999400 -0.847600 8.7167E-01 1.5102E+00 1.6446E+01 H1 2447 1.008000 0.423800 7.6510E-01 1.0400E+00 1.5570E+01 H2 2448 1.008000 0.423800 1.6270E+00 1.0982E+00 1.6956E+01 O6 2449 15.999400 -0.847600 1.8577E+01 -6.2039E+00 -8.1619E+00 H1 2450 1.008000 0.423800 1.7771E+01 -6.6004E+00 -7.7216E+00 H2 2451 1.008000 0.423800 1.8518E+01 -5.2062E+00 -8.1268E+00 O6 2452 15.999400 -0.847600 -1.3482E+01 5.3827E-01 -2.2702E+00 H1 2453 1.008000 0.423800 -1.4482E+01 5.2762E-01 -2.2674E+00 H2 2454 1.008000 0.423800 -1.3139E+01 -3.7798E-01 -2.4780E+00 O6 2455 15.999400 -0.847600 -8.7605E-01 -7.0293E+00 -6.6636E+00 H1 2456 1.008000 0.423800 -1.7215E+00 -6.6360E+00 -7.0248E+00 H2 2457 1.008000 0.423800 -8.7975E-01 -8.0186E+00 -6.8096E+00 O6 2458 15.999400 -0.847600 -1.0263E+00 -1.4967E+01 6.0041E+00 H1 2459 1.008000 0.423800 -1.8271E+00 -1.4961E+01 5.4052E+00 H2 2460 1.008000 0.423800 -4.4618E-01 -1.4180E+01 5.7927E+00 O6 2461 15.999400 -0.847600 -1.1727E+01 5.1985E+00 -4.0051E+00 H1 2462 1.008000 0.423800 -1.1463E+01 6.0477E+00 -3.5478E+00 H2 2463 1.008000 0.423800 -1.2230E+01 4.6176E+00 -3.3647E+00 O6 2464 15.999400 -0.847600 -1.5311E+01 5.2187E+00 -1.6834E+01 H1 2465 1.008000 0.423800 -1.4968E+01 5.9358E+00 -1.6227E+01 H2 2466 1.008000 0.423800 -1.4588E+01 4.5477E+00 -1.6998E+01 O6 2467 15.999400 -0.847600 -1.5794E+01 1.8763E+01 1.8335E+01 H1 2468 1.008000 0.423800 -1.5900E+01 1.9225E+01 1.7454E+01 H2 2469 1.008000 0.423800 -1.6680E+01 1.8720E+01 1.8797E+01 O6 2470 15.999400 -0.847600 7.8178E+00 2.0361E+00 -6.0909E+00 H1 2471 1.008000 0.423800 8.1607E+00 2.9290E+00 -6.3825E+00 H2 2472 1.008000 0.423800 8.5639E+00 1.5093E+00 -5.6838E+00 O6 2473 15.999400 -0.847600 -2.5539E+00 7.0257E+00 1.5829E+00 H1 2474 1.008000 0.423800 -1.6237E+00 6.6972E+00 1.4191E+00 H2 2475 1.008000 0.423800 -2.9171E+00 7.4302E+00 7.4355E-01 O6 2476 15.999400 -0.847600 -3.9170E+00 3.1272E+00 -1.0007E+01 H1 2477 1.008000 0.423800 -4.4008E+00 3.4310E+00 -1.0828E+01 H2 2478 1.008000 0.423800 -2.9679E+00 3.4399E+00 -1.0044E+01 O6 2479 15.999400 -0.847600 4.0218E+00 1.7881E+01 1.3893E+01 H1 2480 1.008000 0.423800 4.4583E+00 1.8492E+01 1.3232E+01 H2 2481 1.008000 0.423800 4.6870E+00 1.7614E+01 1.4590E+01 O6 2482 15.999400 -0.847600 -1.3019E+01 6.4757E+00 1.3205E+01 H1 2483 1.008000 0.423800 -1.2833E+01 5.5247E+00 1.2958E+01 H2 2484 1.008000 0.423800 -1.2507E+01 7.0838E+00 1.2598E+01 O6 2485 15.999400 -0.847600 1.3565E+01 5.9010E+00 1.6541E+01 H1 2486 1.008000 0.423800 1.3524E+01 6.4506E+00 1.7375E+01 H2 2487 1.008000 0.423800 1.3012E+01 5.0758E+00 1.6658E+01 O6 2488 15.999400 -0.847600 -6.8878E+00 -3.2272E+00 3.4906E+00 H1 2489 1.008000 0.423800 -6.1402E+00 -3.8497E+00 3.2588E+00 H2 2490 1.008000 0.423800 -6.6925E+00 -2.7830E+00 4.3650E+00 O6 2491 15.999400 -0.847600 -9.8964E+00 1.9399E+00 6.6634E+00 H1 2492 1.008000 0.423800 -1.0075E+01 2.3063E+00 5.7501E+00 H2 2493 1.008000 0.423800 -1.0547E+01 1.2067E+00 6.8612E+00 O6 2494 15.999400 -0.847600 5.1796E+00 -1.6862E+01 -2.9732E+00 H1 2495 1.008000 0.423800 4.8305E+00 -1.7240E+01 -2.1155E+00 H2 2496 1.008000 0.423800 5.1324E+00 -1.7560E+01 -3.6880E+00 O6 2497 15.999400 -0.847600 -1.8951E+01 -1.3778E+01 7.9851E+00 H1 2498 1.008000 0.423800 -1.9396E+01 -1.3151E+01 7.3453E+00 H2 2499 1.008000 0.423800 -1.8342E+01 -1.4392E+01 7.4818E+00 O6 2500 15.999400 -0.847600 -1.8402E+00 4.5406E+00 1.0137E+01 H1 2501 1.008000 0.423800 -1.9115E+00 3.8336E+00 1.0840E+01 H2 2502 1.008000 0.423800 -1.4902E+00 5.3834E+00 1.0546E+01 O6 2503 15.999400 -0.847600 -1.9320E+01 -3.2596E+00 -1.8333E+01 H1 2504 1.008000 0.423800 1.9089E+01 -3.9847E+00 -1.8362E+01 H2 2505 1.008000 0.423800 -1.8860E+01 -3.2010E+00 -1.9218E+01 O6 2506 15.999400 -0.847600 -1.5354E+01 -2.1952E+00 1.1976E+01 H1 2507 1.008000 0.423800 -1.5757E+01 -1.3103E+00 1.2209E+01 H2 2508 1.008000 0.423800 -1.5475E+01 -2.8286E+00 1.2740E+01 O6 2509 15.999400 -0.847600 1.7325E+01 -1.2468E+01 -1.2559E+01 H1 2510 1.008000 0.423800 1.6779E+01 -1.3275E+01 -1.2338E+01 H2 2511 1.008000 0.423800 1.7645E+01 -1.2530E+01 -1.3505E+01 O6 2512 15.999400 -0.847600 1.9486E+01 -6.9059E+00 5.6178E+00 H1 2513 1.008000 0.423800 1.9348E+01 -6.4812E+00 4.7230E+00 H2 2514 1.008000 0.423800 -1.8671E+01 -6.7505E+00 5.9195E+00 O6 2515 15.999400 -0.847600 -8.1276E+00 -7.0265E+00 -4.3157E+00 H1 2516 1.008000 0.423800 -7.9028E+00 -7.4253E+00 -3.4266E+00 H2 2517 1.008000 0.423800 -8.9593E+00 -6.4773E+00 -4.2339E+00 O6 2518 15.999400 -0.847600 1.0184E+01 -1.5093E+01 -1.1122E+01 H1 2519 1.008000 0.423800 9.5144E+00 -1.4642E+01 -1.0532E+01 H2 2520 1.008000 0.423800 9.7149E+00 -1.5738E+01 -1.1725E+01 O6 2521 15.999400 -0.847600 -7.0191E+00 1.6457E+01 1.8074E+01 H1 2522 1.008000 0.423800 -6.0584E+00 1.6293E+01 1.8298E+01 H2 2523 1.008000 0.423800 -7.0914E+00 1.6770E+01 1.7127E+01 O6 2524 15.999400 -0.847600 -1.0224E+01 -4.8621E+00 -4.5751E+00 H1 2525 1.008000 0.423800 -1.0255E+01 -4.0279E+00 -4.0244E+00 H2 2526 1.008000 0.423800 -9.9212E+00 -4.6389E+00 -5.5015E+00 O6 2527 15.999400 -0.847600 -1.5253E+01 -4.1728E+00 -1.9006E+01 H1 2528 1.008000 0.423800 -1.6010E+01 -3.6691E+00 -1.9424E+01 H2 2529 1.008000 0.423800 -1.5477E+01 -4.3811E+00 -1.8054E+01 O6 2530 15.999400 -0.847600 1.2486E+01 -1.0916E+01 2.4992E+00 H1 2531 1.008000 0.423800 1.3399E+01 -1.0759E+01 2.8753E+00 H2 2532 1.008000 0.423800 1.1819E+01 -1.0370E+01 3.0057E+00 O6 2533 15.999400 -0.847600 -4.6666E-01 -1.3032E+01 1.2430E+01 H1 2534 1.008000 0.423800 -2.8798E-01 -1.2251E+01 1.1831E+01 H2 2535 1.008000 0.423800 3.5120E-01 -1.3233E+01 1.2969E+01 O6 2536 15.999400 -0.847600 1.8986E+00 -5.1986E+00 9.4902E+00 H1 2537 1.008000 0.423800 2.3669E+00 -5.7291E+00 8.7836E+00 H2 2538 1.008000 0.423800 1.4288E+00 -4.4232E+00 9.0683E+00 O6 2539 15.999400 -0.847600 1.2605E+01 1.4242E+01 1.6322E+01 H1 2540 1.008000 0.423800 1.2930E+01 1.4991E+01 1.5744E+01 H2 2541 1.008000 0.423800 1.3176E+01 1.3435E+01 1.6175E+01 O6 2542 15.999400 -0.847600 9.0491E+00 3.2748E+00 1.3203E+01 H1 2543 1.008000 0.423800 9.2657E+00 2.8587E+00 1.2320E+01 H2 2544 1.008000 0.423800 8.3532E+00 3.9817E+00 1.3076E+01 O6 2545 15.999400 -0.847600 1.1186E+01 -4.2462E+00 -1.7123E+01 H1 2546 1.008000 0.423800 1.1265E+01 -4.5416E+00 -1.6171E+01 H2 2547 1.008000 0.423800 1.0221E+01 -4.2042E+00 -1.7381E+01 O6 2548 15.999400 -0.847600 -6.0562E+00 1.5717E+01 -6.6069E+00 H1 2549 1.008000 0.423800 -5.8242E+00 1.5761E+01 -5.6352E+00 H2 2550 1.008000 0.423800 -7.0125E+00 1.5443E+01 -6.7090E+00 O6 2551 15.999400 -0.847600 1.1081E+01 -1.7255E+01 5.2104E+00 H1 2552 1.008000 0.423800 1.1629E+01 -1.7975E+01 4.7851E+00 H2 2553 1.008000 0.423800 1.0225E+01 -1.7645E+01 5.5497E+00 O6 2554 15.999400 -0.847600 6.6160E+00 -1.8630E+00 2.6188E+00 H1 2555 1.008000 0.423800 6.3899E+00 -1.0896E+00 2.0265E+00 H2 2556 1.008000 0.423800 5.7823E+00 -2.3695E+00 2.8385E+00 O6 2557 15.999400 -0.847600 1.9019E+01 -1.5639E+01 1.9005E+01 H1 2558 1.008000 0.423800 1.8641E+01 -1.4727E+01 1.8847E+01 H2 2559 1.008000 0.423800 1.9329E+01 -1.6026E+01 1.8137E+01 O6 2560 15.999400 -0.847600 9.2373E+00 1.2862E+01 -3.8350E+00 H1 2561 1.008000 0.423800 9.9575E+00 1.3215E+01 -4.4323E+00 H2 2562 1.008000 0.423800 9.3033E+00 1.3300E+01 -2.9386E+00 O6 2563 15.999400 -0.847600 -1.0873E+01 1.4755E+01 1.1948E+01 H1 2564 1.008000 0.423800 -1.1049E+01 1.5476E+01 1.1278E+01 H2 2565 1.008000 0.423800 -1.0549E+01 1.5164E+01 1.2801E+01 O6 2566 15.999400 -0.847600 1.8539E+01 -6.2671E+00 8.1454E+00 H1 2567 1.008000 0.423800 1.8885E+01 -6.5418E+00 7.2483E+00 H2 2568 1.008000 0.423800 1.8263E+01 -5.3066E+00 8.1159E+00 O6 2569 15.999400 -0.847600 -2.9172E+00 8.2891E+00 -7.7997E+00 H1 2570 1.008000 0.423800 -3.0669E+00 8.3876E+00 -6.8158E+00 H2 2571 1.008000 0.423800 -3.4521E+00 7.5170E+00 -8.1426E+00 O6 2572 15.999400 -0.847600 -1.5310E+01 -7.9231E+00 -1.7780E+01 H1 2573 1.008000 0.423800 -1.5931E+01 -8.5397E+00 -1.7296E+01 H2 2574 1.008000 0.423800 -1.4392E+01 -8.3189E+00 -1.7795E+01 O6 2575 15.999400 -0.847600 5.0240E+00 1.1149E+01 8.4510E+00 H1 2576 1.008000 0.423800 5.1771E+00 1.2063E+01 8.8255E+00 H2 2577 1.008000 0.423800 5.1262E+00 1.0470E+01 9.1778E+00 O6 2578 15.999400 -0.847600 -6.8171E+00 7.8423E+00 1.7575E+01 H1 2579 1.008000 0.423800 -7.6560E+00 7.3945E+00 1.7266E+01 H2 2580 1.008000 0.423800 -7.0469E+00 8.5734E+00 1.8217E+01 O6 2581 15.999400 -0.847600 1.1871E+01 6.6199E+00 1.0962E+01 H1 2582 1.008000 0.423800 1.2817E+01 6.8488E+00 1.1189E+01 H2 2583 1.008000 0.423800 1.1264E+01 6.9627E+00 1.1679E+01 O6 2584 15.999400 -0.847600 1.9322E+01 1.9238E+00 -1.9019E+01 H1 2585 1.008000 0.423800 -1.8988E+01 2.3301E+00 -1.9482E+01 H2 2586 1.008000 0.423800 -1.9458E+01 1.2690E+00 -1.8333E+01 O6 2587 15.999400 -0.847600 8.9114E+00 -5.6219E+00 -6.8778E+00 H1 2588 1.008000 0.423800 8.0175E+00 -5.6207E+00 -7.3261E+00 H2 2589 1.008000 0.423800 8.8506E+00 -6.1232E+00 -6.0147E+00 O6 2590 15.999400 -0.847600 2.8655E+00 6.5463E+00 -5.7497E+00 H1 2591 1.008000 0.423800 3.8233E+00 6.5246E+00 -6.0364E+00 H2 2592 1.008000 0.423800 2.4611E+00 5.6396E+00 -5.8695E+00 O6 2593 15.999400 -0.847600 1.4893E+00 1.0738E+01 1.5240E+01 H1 2594 1.008000 0.423800 1.0202E+00 1.0398E+01 1.4424E+01 H2 2595 1.008000 0.423800 1.1834E+00 1.1669E+01 1.5437E+01 O6 2596 15.999400 -0.847600 -1.0579E+01 8.6288E+00 8.5918E+00 H1 2597 1.008000 0.423800 -9.9915E+00 9.3911E+00 8.8636E+00 H2 2598 1.008000 0.423800 -1.0159E+01 8.1412E+00 7.8262E+00 O6 2599 15.999400 -0.847600 -1.6542E+01 1.1325E+01 -7.7925E+00 H1 2600 1.008000 0.423800 -1.6030E+01 1.0478E+01 -7.9378E+00 H2 2601 1.008000 0.423800 -1.6557E+01 1.1542E+01 -6.8163E+00 O6 2602 15.999400 -0.847600 -7.1868E+00 -1.9349E+01 1.7483E+01 H1 2603 1.008000 0.423800 -7.6379E+00 1.9461E+01 1.8328E+01 H2 2604 1.008000 0.423800 -6.2753E+00 1.9340E+01 1.7437E+01 O6 2605 15.999400 -0.847600 1.8610E+01 1.6631E+01 1.5665E+01 H1 2606 1.008000 0.423800 1.9384E+01 1.6028E+01 1.5474E+01 H2 2607 1.008000 0.423800 1.8208E+01 1.6388E+01 1.6548E+01 O6 2608 15.999400 -0.847600 1.5786E+01 5.5571E+00 1.2860E+01 H1 2609 1.008000 0.423800 1.6008E+01 6.1788E+00 1.3612E+01 H2 2610 1.008000 0.423800 1.5515E+01 4.6691E+00 1.3232E+01 O6 2611 15.999400 -0.847600 -1.7076E+00 5.3139E+00 -1.0485E+01 H1 2612 1.008000 0.423800 -1.9203E+00 6.0054E+00 -1.1175E+01 H2 2613 1.008000 0.423800 -1.5799E+00 4.4273E+00 -1.0930E+01 O6 2614 15.999400 -0.847600 3.4826E+00 1.9519E+01 -1.5665E+01 H1 2615 1.008000 0.423800 4.0160E+00 -1.9443E+01 -1.6500E+01 H2 2616 1.008000 0.423800 2.8934E+00 1.8718E+01 -1.5772E+01 O6 2617 15.999400 -0.847600 -1.0284E+00 1.4834E+01 2.1931E+00 H1 2618 1.008000 0.423800 -1.7179E+00 1.4274E+01 1.7336E+00 H2 2619 1.008000 0.423800 -9.5984E-01 1.4558E+01 3.1518E+00 O6 2620 15.999400 -0.847600 1.3423E+01 1.4655E+01 -2.6363E+00 H1 2621 1.008000 0.423800 1.4003E+01 1.4502E+01 -3.4369E+00 H2 2622 1.008000 0.423800 1.3995E+01 1.4720E+01 -1.8185E+00 O6 2623 15.999400 -0.847600 -2.8466E+00 -1.8846E+01 2.9581E+00 H1 2624 1.008000 0.423800 -3.4908E+00 -1.8480E+01 2.2864E+00 H2 2625 1.008000 0.423800 -2.5701E+00 1.9330E+01 2.6869E+00 O6 2626 15.999400 -0.847600 5.0231E+00 1.0301E+01 -6.7357E+00 H1 2627 1.008000 0.423800 4.6814E+00 1.1083E+01 -7.2572E+00 H2 2628 1.008000 0.423800 5.8094E+00 1.0584E+01 -6.1868E+00 O6 2629 15.999400 -0.847600 -9.0919E+00 -1.2384E+01 -1.2530E+01 H1 2630 1.008000 0.423800 -8.4853E+00 -1.1682E+01 -1.2157E+01 H2 2631 1.008000 0.423800 -9.1728E+00 -1.3136E+01 -1.1876E+01 O6 2632 15.999400 -0.847600 -1.0083E+00 1.8224E+00 8.6523E+00 H1 2633 1.008000 0.423800 -1.8583E+00 1.8965E+00 9.1738E+00 H2 2634 1.008000 0.423800 -5.0968E-01 1.0054E+00 8.9420E+00 O6 2635 15.999400 -0.847600 1.6118E+01 1.4695E+01 7.3921E+00 H1 2636 1.008000 0.423800 1.6403E+01 1.3805E+01 7.7487E+00 H2 2637 1.008000 0.423800 1.5138E+01 1.4677E+01 7.1944E+00 O6 2638 15.999400 -0.847600 -1.5344E+01 -1.5930E+01 -1.3278E+01 H1 2639 1.008000 0.423800 -1.5067E+01 -1.4979E+01 -1.3146E+01 H2 2640 1.008000 0.423800 -1.5914E+01 -1.6221E+01 -1.2510E+01 O6 2641 15.999400 -0.847600 1.8772E+01 1.3031E+01 3.1890E+00 H1 2642 1.008000 0.423800 1.9136E+01 1.2543E+01 3.9827E+00 H2 2643 1.008000 0.423800 1.8372E+01 1.2375E+01 2.5489E+00 O6 2644 15.999400 -0.847600 -1.9372E+00 -7.7685E+00 -1.0441E+01 H1 2645 1.008000 0.423800 -2.4800E+00 -8.5516E+00 -1.0745E+01 H2 2646 1.008000 0.423800 -2.2871E+00 -7.4406E+00 -9.5634E+00 O6 2647 15.999400 -0.847600 1.8100E+01 7.7155E+00 -7.7860E+00 H1 2648 1.008000 0.423800 1.8156E+01 8.0505E+00 -8.7266E+00 H2 2649 1.008000 0.423800 1.8262E+01 8.4721E+00 -7.1525E+00 O6 2650 15.999400 -0.847600 5.1505E+00 1.5903E+01 1.5707E+01 H1 2651 1.008000 0.423800 4.9057E+00 1.5595E+01 1.6626E+01 H2 2652 1.008000 0.423800 5.0988E+00 1.5132E+01 1.5072E+01 O6 2653 15.999400 -0.847600 -5.3476E+00 -8.3245E+00 -1.8846E+01 H1 2654 1.008000 0.423800 -6.2771E+00 -8.6630E+00 -1.8993E+01 H2 2655 1.008000 0.423800 -4.8163E+00 -8.4353E+00 1.9411E+01 O6 2656 15.999400 -0.847600 -1.3670E+01 6.9348E+00 1.5899E+01 H1 2657 1.008000 0.423800 -1.3665E+01 6.0446E+00 1.6354E+01 H2 2658 1.008000 0.423800 -1.3295E+01 6.8397E+00 1.4977E+01 O6 2659 15.999400 -0.847600 -1.8205E+01 1.8313E+01 1.9434E+01 H1 2660 1.008000 0.423800 -1.8623E+01 1.8451E+01 -1.8766E+01 H2 2661 1.008000 0.423800 -1.8394E+01 1.7384E+01 1.9117E+01 O6 2662 15.999400 -0.847600 -1.8707E+01 1.4442E+01 1.4707E+01 H1 2663 1.008000 0.423800 -1.8510E+01 1.4634E+01 1.3745E+01 H2 2664 1.008000 0.423800 -1.7849E+01 1.4318E+01 1.5205E+01 O6 2665 15.999400 -0.847600 -9.5895E+00 6.3267E+00 -1.9171E+01 H1 2666 1.008000 0.423800 -8.9275E+00 6.0258E+00 -1.8484E+01 H2 2667 1.008000 0.423800 -1.0350E+01 6.7919E+00 -1.8719E+01 O6 2668 15.999400 -0.847600 -9.2838E+00 7.0031E+00 -1.5564E+01 H1 2669 1.008000 0.423800 -9.1350E+00 6.6970E+00 -1.4623E+01 H2 2670 1.008000 0.423800 -1.0112E+01 6.5752E+00 -1.5926E+01 O6 2671 15.999400 -0.847600 1.8772E+01 5.3293E+00 1.2727E+01 H1 2672 1.008000 0.423800 1.7861E+01 5.5118E+00 1.3097E+01 H2 2673 1.008000 0.423800 1.8718E+01 4.5878E+00 1.2058E+01 O6 2674 15.999400 -0.847600 -1.3791E+01 -1.5437E+01 -8.8668E+00 H1 2675 1.008000 0.423800 -1.3527E+01 -1.6369E+01 -8.6189E+00 H2 2676 1.008000 0.423800 -1.4783E+01 -1.5341E+01 -8.7938E+00 O6 2677 15.999400 -0.847600 1.5860E+01 -6.0329E+00 1.3534E+01 H1 2678 1.008000 0.423800 1.5340E+01 -6.8253E+00 1.3853E+01 H2 2679 1.008000 0.423800 1.6583E+01 -6.3364E+00 1.2914E+01 O6 2680 15.999400 -0.847600 -1.4820E+01 -6.5842E-01 1.9491E+00 H1 2681 1.008000 0.423800 -1.4590E+01 2.4845E-01 1.5960E+00 H2 2682 1.008000 0.423800 -1.4504E+01 -7.3799E-01 2.8945E+00 O6 2683 15.999400 -0.847600 6.6889E+00 5.2460E+00 -1.3287E+01 H1 2684 1.008000 0.423800 5.8904E+00 4.8366E+00 -1.2846E+01 H2 2685 1.008000 0.423800 6.8548E+00 6.1532E+00 -1.2901E+01 O6 2686 15.999400 -0.847600 -5.1704E+00 1.7920E+01 -7.8896E+00 H1 2687 1.008000 0.423800 -4.2745E+00 1.7502E+01 -7.7373E+00 H2 2688 1.008000 0.423800 -5.8840E+00 1.7316E+01 -7.5340E+00 O6 2689 15.999400 -0.847600 1.6837E+01 1.3642E+00 8.8562E+00 H1 2690 1.008000 0.423800 1.6086E+01 1.2652E+00 9.5096E+00 H2 2691 1.008000 0.423800 1.7548E+01 6.9209E-01 9.0616E+00 O6 2692 15.999400 -0.847600 1.5711E+01 -1.0384E+01 2.8117E+00 H1 2693 1.008000 0.423800 1.6590E+01 -1.0279E+01 3.2775E+00 H2 2694 1.008000 0.423800 1.5842E+01 -1.0901E+01 1.9659E+00 O6 2695 15.999400 -0.847600 -3.3331E-01 -1.0916E+01 4.0534E+00 H1 2696 1.008000 0.423800 -1.0507E+00 -1.1267E+01 3.4516E+00 H2 2697 1.008000 0.423800 -2.5331E-02 -1.0025E+01 3.7202E+00 O6 2698 15.999400 -0.847600 -3.7806E+00 1.4303E+00 -1.5973E+01 H1 2699 1.008000 0.423800 -4.3921E+00 6.4065E-01 -1.5921E+01 H2 2700 1.008000 0.423800 -3.2436E+00 1.3810E+00 -1.6815E+01 O6 2701 15.999400 -0.847600 5.6501E+00 1.0321E+01 -1.0813E+01 H1 2702 1.008000 0.423800 5.5765E+00 9.5444E+00 -1.0188E+01 H2 2703 1.008000 0.423800 4.7417E+00 1.0560E+01 -1.1156E+01 O6 2704 15.999400 -0.847600 -1.7352E+01 -1.3785E+01 -4.4085E+00 H1 2705 1.008000 0.423800 -1.7468E+01 -1.4404E+01 -3.6320E+00 H2 2706 1.008000 0.423800 -1.8143E+01 -1.3859E+01 -5.0155E+00 O6 2707 15.999400 -0.847600 7.2968E-01 -1.9401E+00 -1.8972E+01 H1 2708 1.008000 0.423800 3.1633E-01 -1.9923E+00 1.9216E+01 H2 2709 1.008000 0.423800 4.6135E-02 -1.6273E+00 -1.8313E+01 O6 2710 15.999400 -0.847600 1.7335E+00 -1.7621E+01 -1.4623E+01 H1 2711 1.008000 0.423800 1.4310E+00 -1.6798E+01 -1.5104E+01 H2 2712 1.008000 0.423800 2.4422E+00 -1.8079E+01 -1.5159E+01 O6 2713 15.999400 -0.847600 -1.2127E+01 7.0863E+00 -1.8453E+01 H1 2714 1.008000 0.423800 -1.2665E+01 6.3948E+00 -1.7971E+01 H2 2715 1.008000 0.423800 -1.2160E+01 7.9476E+00 -1.7946E+01 O6 2716 15.999400 -0.847600 -1.3945E+01 9.7890E+00 -1.0288E+01 H1 2717 1.008000 0.423800 -1.4557E+01 9.4871E+00 -9.5570E+00 H2 2718 1.008000 0.423800 -1.4404E+01 9.6882E+00 -1.1170E+01 O6 2719 15.999400 -0.847600 -5.1386E+00 4.0052E+00 -1.2100E+01 H1 2720 1.008000 0.423800 -5.8073E+00 3.3420E+00 -1.2436E+01 H2 2721 1.008000 0.423800 -5.5581E+00 4.9122E+00 -1.2063E+01 O6 2722 15.999400 -0.847600 -1.8701E+01 -3.0155E+00 -1.4908E+01 H1 2723 1.008000 0.423800 1.9523E+01 -2.5673E+00 -1.4718E+01 H2 2724 1.008000 0.423800 -1.8799E+01 -3.6118E+00 -1.5705E+01 O6 2725 15.999400 -0.847600 1.3515E+01 2.1510E+00 -1.2516E+01 H1 2726 1.008000 0.423800 1.3646E+01 2.6518E+00 -1.1660E+01 H2 2727 1.008000 0.423800 1.2551E+01 2.1924E+00 -1.2781E+01 O6 2728 15.999400 -0.847600 -1.6266E+01 -6.5793E+00 2.2638E+00 H1 2729 1.008000 0.423800 -1.6353E+01 -5.6784E+00 2.6893E+00 H2 2730 1.008000 0.423800 -1.6490E+01 -6.5115E+00 1.2915E+00 O6 2731 15.999400 -0.847600 2.6010E+00 -1.7791E+01 -8.2467E+00 H1 2732 1.008000 0.423800 3.1755E+00 -1.8590E+01 -8.4264E+00 H2 2733 1.008000 0.423800 2.8530E+00 -1.7052E+01 -8.8712E+00 O6 2734 15.999400 -0.847600 6.3096E+00 -4.0925E+00 -8.8154E+00 H1 2735 1.008000 0.423800 5.5536E+00 -4.0714E+00 -9.4697E+00 H2 2736 1.008000 0.423800 7.0684E+00 -3.5429E+00 -9.1650E+00 O6 2737 15.999400 -0.847600 -1.3960E+01 -7.6569E+00 -1.1133E+01 H1 2738 1.008000 0.423800 -1.4068E+01 -8.2095E+00 -1.1959E+01 H2 2739 1.008000 0.423800 -1.4843E+01 -7.2654E+00 -1.0876E+01 O6 2740 15.999400 -0.847600 5.5887E+00 -1.5570E+01 8.8226E+00 H1 2741 1.008000 0.423800 4.8134E+00 -1.5491E+01 8.1959E+00 H2 2742 1.008000 0.423800 6.4425E+00 -1.5511E+01 8.3054E+00 O6 2743 15.999400 -0.847600 -1.2831E+01 1.3708E+01 1.6276E+01 H1 2744 1.008000 0.423800 -1.2931E+01 1.3129E+01 1.7085E+01 H2 2745 1.008000 0.423800 -1.3404E+01 1.4521E+01 1.6376E+01 O6 2746 15.999400 -0.847600 7.7447E-01 1.4695E+01 -7.2240E+00 H1 2747 1.008000 0.423800 9.3306E-01 1.5674E+01 -7.0968E+00 H2 2748 1.008000 0.423800 1.5305E+00 1.4300E+01 -7.7459E+00 O6 2749 15.999400 -0.847600 -1.1827E+01 1.2219E+01 7.7686E+00 H1 2750 1.008000 0.423800 -1.2640E+01 1.2155E+01 7.1898E+00 H2 2751 1.008000 0.423800 -1.1581E+01 1.1308E+01 8.1003E+00 O6 2752 15.999400 -0.847600 4.9731E+00 7.5071E+00 1.7058E+01 H1 2753 1.008000 0.423800 5.3667E+00 8.4261E+00 1.7083E+01 H2 2754 1.008000 0.423800 5.2060E+00 7.0218E+00 1.7901E+01 O6 2755 15.999400 -0.847600 4.5256E+00 -4.3420E+00 -6.0591E+00 H1 2756 1.008000 0.423800 4.1457E+00 -5.2630E+00 -5.9723E+00 H2 2757 1.008000 0.423800 4.8801E+00 -4.2136E+00 -6.9852E+00 O6 2758 15.999400 -0.847600 -4.5813E+00 -6.7959E+00 4.7906E+00 H1 2759 1.008000 0.423800 -4.9765E+00 -7.6078E+00 4.3609E+00 H2 2760 1.008000 0.423800 -5.2501E+00 -6.3894E+00 5.4131E+00 O6 2761 15.999400 -0.847600 1.6626E+01 -4.3136E+00 5.0881E+00 H1 2762 1.008000 0.423800 1.6255E+01 -3.6254E+00 5.7119E+00 H2 2763 1.008000 0.423800 1.5933E+01 -5.0141E+00 4.9153E+00 O6 2764 15.999400 -0.847600 -1.8586E+01 -1.6075E+01 1.6829E+01 H1 2765 1.008000 0.423800 -1.7874E+01 -1.6172E+01 1.7524E+01 H2 2766 1.008000 0.423800 -1.8468E+01 -1.5206E+01 1.6349E+01 O6 2767 15.999400 -0.847600 -6.4579E+00 1.2765E+01 -1.2084E+01 H1 2768 1.008000 0.423800 -7.3564E+00 1.3042E+01 -1.2424E+01 H2 2769 1.008000 0.423800 -6.1123E+00 1.3457E+01 -1.1451E+01 O6 2770 15.999400 -0.847600 9.0592E+00 -2.5161E+00 2.1181E+00 H1 2771 1.008000 0.423800 8.1126E+00 -2.2111E+00 2.2225E+00 H2 2772 1.008000 0.423800 9.6785E+00 -1.7795E+00 2.3900E+00 O6 2773 15.999400 -0.847600 -1.5676E-01 1.4469E+01 1.7228E+01 H1 2774 1.008000 0.423800 7.2552E-02 1.5332E+01 1.7678E+01 H2 2775 1.008000 0.423800 -8.1303E-01 1.3965E+01 1.7789E+01 O6 2776 15.999400 -0.847600 1.0441E+01 -1.5738E+00 -1.2122E+01 H1 2777 1.008000 0.423800 1.0507E+01 -1.2821E+00 -1.3076E+01 H2 2778 1.008000 0.423800 9.4922E+00 -1.4967E+00 -1.1815E+01 O6 2779 15.999400 -0.847600 6.2798E+00 -1.3520E+01 1.6449E+01 H1 2780 1.008000 0.423800 7.1801E+00 -1.3444E+01 1.6877E+01 H2 2781 1.008000 0.423800 6.2113E+00 -1.4394E+01 1.5969E+01 O6 2782 15.999400 -0.847600 1.6554E+01 -1.6834E+01 9.8959E+00 H1 2783 1.008000 0.423800 1.6785E+01 -1.6171E+01 9.1834E+00 H2 2784 1.008000 0.423800 1.7283E+01 -1.7515E+01 9.9660E+00 O6 2785 15.999400 -0.847600 -4.5282E+00 1.1368E+01 -1.7586E+01 H1 2786 1.008000 0.423800 -5.1105E+00 1.1564E+01 -1.8375E+01 H2 2787 1.008000 0.423800 -3.8116E+00 1.0724E+01 -1.7853E+01 O6 2788 15.999400 -0.847600 6.6060E+00 5.7565E+00 6.3103E-01 H1 2789 1.008000 0.423800 7.4975E+00 5.4635E+00 2.8542E-01 H2 2790 1.008000 0.423800 6.6029E+00 5.7062E+00 1.6298E+00 O6 2791 15.999400 -0.847600 -1.0585E+01 1.1537E+01 -8.1918E+00 H1 2792 1.008000 0.423800 -1.0818E+01 1.1416E+01 -9.1567E+00 H2 2793 1.008000 0.423800 -9.5977E+00 1.1666E+01 -8.1012E+00 O6 2794 15.999400 -0.847600 6.6276E+00 -1.0644E+00 1.7559E+01 H1 2795 1.008000 0.423800 6.1635E+00 -1.9225E-01 1.7715E+01 H2 2796 1.008000 0.423800 7.4151E+00 -9.2080E-01 1.6960E+01 O6 2797 15.999400 -0.847600 -7.9643E+00 1.1676E+01 -7.8492E+00 H1 2798 1.008000 0.423800 -7.0656E+00 1.2032E+01 -8.1050E+00 H2 2799 1.008000 0.423800 -7.9387E+00 1.0676E+01 -7.8482E+00 O6 2800 15.999400 -0.847600 -5.7365E+00 -4.9469E+00 -1.1696E+01 H1 2801 1.008000 0.423800 -5.2824E+00 -5.4154E+00 -1.2454E+01 H2 2802 1.008000 0.423800 -5.9131E+00 -5.5992E+00 -1.0959E+01 O6 2803 15.999400 -0.847600 8.2233E+00 3.0473E+00 8.6103E+00 H1 2804 1.008000 0.423800 8.2866E+00 2.1182E+00 8.2460E+00 H2 2805 1.008000 0.423800 8.9527E+00 3.1938E+00 9.2784E+00 O6 2806 15.999400 -0.847600 8.0043E+00 -8.5758E+00 -1.2658E+01 H1 2807 1.008000 0.423800 8.3990E+00 -8.3353E+00 -1.3545E+01 H2 2808 1.008000 0.423800 7.0314E+00 -8.7782E+00 -1.2770E+01 O6 2809 15.999400 -0.847600 -1.7769E+01 5.3241E+00 -1.6032E+01 H1 2810 1.008000 0.423800 -1.6890E+01 4.9669E+00 -1.6349E+01 H2 2811 1.008000 0.423800 -1.8499E+01 4.9845E+00 -1.6624E+01 O6 2812 15.999400 -0.847600 -1.8566E+01 7.7257E+00 5.3649E+00 H1 2813 1.008000 0.423800 -1.8984E+01 7.4812E+00 6.2399E+00 H2 2814 1.008000 0.423800 -1.8950E+01 8.5910E+00 5.0424E+00 O6 2815 15.999400 -0.847600 -1.9255E+01 1.2368E+01 -1.4333E+01 H1 2816 1.008000 0.423800 1.9051E+01 1.2415E+01 -1.4942E+01 H2 2817 1.008000 0.423800 -1.9013E+01 1.1411E+01 -1.4174E+01 O6 2818 15.999400 -0.847600 7.9174E+00 7.1788E+00 7.1069E+00 H1 2819 1.008000 0.423800 8.0833E+00 7.0756E+00 8.0876E+00 H2 2820 1.008000 0.423800 8.7917E+00 7.2491E+00 6.6266E+00 O6 2821 15.999400 -0.847600 1.2630E+01 1.2064E+01 -2.0217E+00 H1 2822 1.008000 0.423800 1.2751E+01 1.2971E+01 -2.4240E+00 H2 2823 1.008000 0.423800 1.1978E+01 1.1540E+01 -2.5696E+00 O6 2824 15.999400 -0.847600 -3.2885E+00 -2.7216E-01 -2.9863E+00 H1 2825 1.008000 0.423800 -3.0093E+00 6.6111E-01 -2.7603E+00 H2 2826 1.008000 0.423800 -2.6435E+00 -6.6316E-01 -3.6429E+00 O6 2827 15.999400 -0.847600 8.0156E+00 -1.7229E+01 6.0061E+00 H1 2828 1.008000 0.423800 7.7866E+00 -1.7990E+01 6.6136E+00 H2 2829 1.008000 0.423800 8.1758E+00 -1.6405E+01 6.5495E+00 O6 2830 15.999400 -0.847600 -9.7047E+00 8.5650E+00 -9.9727E+00 H1 2831 1.008000 0.423800 -8.7982E+00 8.8777E+00 -1.0256E+01 H2 2832 1.008000 0.423800 -1.0389E+01 9.2459E+00 -1.0234E+01 O6 2833 15.999400 -0.847600 -6.1148E+00 7.2874E+00 -1.3323E+00 H1 2834 1.008000 0.423800 -5.1306E+00 7.3170E+00 -1.1577E+00 H2 2835 1.008000 0.423800 -6.3026E+00 7.6527E+00 -2.2441E+00 O6 2836 15.999400 -0.847600 8.4210E+00 -8.4012E+00 1.3141E+01 H1 2837 1.008000 0.423800 8.2057E+00 -7.9197E+00 1.3990E+01 H2 2838 1.008000 0.423800 8.1918E+00 -7.8191E+00 1.2361E+01 O6 2839 15.999400 -0.847600 -1.6097E+01 -6.6696E+00 1.8939E+01 H1 2840 1.008000 0.423800 -1.5675E+01 -7.0475E+00 -1.9335E+01 H2 2841 1.008000 0.423800 -1.5785E+01 -5.7287E+00 1.8806E+01 O6 2842 15.999400 -0.847600 -1.7507E+01 -3.0741E+00 -9.1895E-01 H1 2843 1.008000 0.423800 -1.8378E+01 -3.5392E+00 -7.6127E-01 H2 2844 1.008000 0.423800 -1.7602E+01 -2.4412E+00 -1.6874E+00 O6 2845 15.999400 -0.847600 -8.3395E+00 5.6571E+00 -3.8862E+00 H1 2846 1.008000 0.423800 -7.4190E+00 5.4806E+00 -4.2348E+00 H2 2847 1.008000 0.423800 -8.4436E+00 6.6341E+00 -3.7000E+00 O6 2848 15.999400 -0.847600 -7.2278E+00 1.8447E+01 1.0333E+01 H1 2849 1.008000 0.423800 -8.1604E+00 1.8683E+01 1.0061E+01 H2 2850 1.008000 0.423800 -6.8399E+00 1.7805E+01 9.6722E+00 O6 2851 15.999400 -0.847600 -1.0116E+01 -6.2756E-01 -1.4193E+01 H1 2852 1.008000 0.423800 -9.9821E+00 -1.3650E+00 -1.4855E+01 H2 2853 1.008000 0.423800 -1.0095E+01 -1.0035E+00 -1.3266E+01 O6 2854 15.999400 -0.847600 -1.0906E+01 1.7435E+01 -6.7276E+00 H1 2855 1.008000 0.423800 -1.0412E+01 1.8099E+01 -7.2891E+00 H2 2856 1.008000 0.423800 -1.1025E+01 1.6586E+01 -7.2425E+00 O6 2857 15.999400 -0.847600 7.7735E+00 -1.3734E+01 1.3398E+01 H1 2858 1.008000 0.423800 8.2427E+00 -1.3181E+01 1.4087E+01 H2 2859 1.008000 0.423800 6.7846E+00 -1.3628E+01 1.3503E+01 O6 2860 15.999400 -0.847600 -3.4645E+00 -3.2496E+00 -3.3074E+00 H1 2861 1.008000 0.423800 -3.4466E+00 -2.3721E+00 -2.8281E+00 H2 2862 1.008000 0.423800 -2.5380E+00 -3.4904E+00 -3.5965E+00 O6 2863 15.999400 -0.847600 6.3292E+00 -2.8154E+00 -1.5517E+01 H1 2864 1.008000 0.423800 5.3451E+00 -2.8585E+00 -1.5690E+01 H2 2865 1.008000 0.423800 6.5422E+00 -3.3116E+00 -1.4676E+01 O6 2866 15.999400 -0.847600 9.6301E+00 -9.1956E+00 6.5112E+00 H1 2867 1.008000 0.423800 9.7034E+00 -9.5753E+00 7.4334E+00 H2 2868 1.008000 0.423800 9.6355E+00 -8.1969E+00 6.5606E+00 O6 2869 15.999400 -0.847600 -1.5251E+01 -1.5179E+01 1.2736E+00 H1 2870 1.008000 0.423800 -1.4616E+01 -1.4769E+01 1.9283E+00 H2 2871 1.008000 0.423800 -1.5145E+01 -1.4736E+01 3.8356E-01 O6 2872 15.999400 -0.847600 1.7196E+01 1.6364E+01 1.1901E+01 H1 2873 1.008000 0.423800 1.7565E+01 1.5436E+01 1.1846E+01 H2 2874 1.008000 0.423800 1.6733E+01 1.6590E+01 1.1044E+01 O6 2875 15.999400 -0.847600 1.7107E+01 6.9251E+00 -1.5344E+01 H1 2876 1.008000 0.423800 1.6820E+01 7.3990E+00 -1.6176E+01 H2 2877 1.008000 0.423800 1.6369E+01 6.3295E+00 -1.5028E+01 O6 2878 15.999400 -0.847600 -2.2794E+00 -1.3687E+01 -1.8815E+01 H1 2879 1.008000 0.423800 -3.0244E+00 -1.4000E+01 -1.9404E+01 H2 2880 1.008000 0.423800 -1.4166E+00 -1.3728E+01 -1.9319E+01 O6 2881 15.999400 -0.847600 -5.7568E+00 1.6550E+01 1.2902E+01 H1 2882 1.008000 0.423800 -6.2070E+00 1.6243E+01 1.2063E+01 H2 2883 1.008000 0.423800 -6.4482E+00 1.6770E+01 1.3590E+01 O6 2884 15.999400 -0.847600 -6.6056E+00 9.2349E+00 -8.9751E+00 H1 2885 1.008000 0.423800 -6.5463E+00 8.9939E+00 -8.0063E+00 H2 2886 1.008000 0.423800 -5.8260E+00 9.8098E+00 -9.2237E+00 O6 2887 15.999400 -0.847600 -1.3132E+01 8.1919E+00 1.8356E+01 H1 2888 1.008000 0.423800 -1.3447E+01 7.8530E+00 1.7469E+01 H2 2889 1.008000 0.423800 -1.2881E+01 7.4186E+00 1.8938E+01 O6 2890 15.999400 -0.847600 7.7820E+00 8.2140E+00 2.5308E+00 H1 2891 1.008000 0.423800 7.9778E+00 7.4175E+00 3.1029E+00 H2 2892 1.008000 0.423800 6.9212E+00 8.6307E+00 2.8231E+00 O6 2893 15.999400 -0.847600 -4.9949E+00 -1.2968E+01 -1.3411E+01 H1 2894 1.008000 0.423800 -5.1859E+00 -1.3411E+01 -1.4287E+01 H2 2895 1.008000 0.423800 -4.4887E+00 -1.2121E+01 -1.3570E+01 O6 2896 15.999400 -0.847600 -1.4598E+01 1.8226E+01 5.2700E+00 H1 2897 1.008000 0.423800 -1.4718E+01 1.7275E+01 4.9856E+00 H2 2898 1.008000 0.423800 -1.3687E+01 1.8541E+01 5.0035E+00 O6 2899 15.999400 -0.847600 -5.5739E+00 -1.7448E+01 1.9492E+01 H1 2900 1.008000 0.423800 -5.9233E+00 -1.8097E+01 -1.8930E+01 H2 2901 1.008000 0.423800 -6.0831E+00 -1.7551E+01 1.8637E+01 O6 2902 15.999400 -0.847600 -2.0329E+00 -4.4679E+00 -1.2800E+01 H1 2903 1.008000 0.423800 -2.3612E+00 -3.9023E+00 -1.3556E+01 H2 2904 1.008000 0.423800 -2.4867E+00 -4.1886E+00 -1.1953E+01 O6 2905 15.999400 -0.847600 -1.1514E+01 1.1937E+01 1.2344E+01 H1 2906 1.008000 0.423800 -1.1146E+01 1.2838E+01 1.2573E+01 H2 2907 1.008000 0.423800 -1.2464E+01 1.2031E+01 1.2044E+01 O6 2908 15.999400 -0.847600 7.3196E+00 -1.8696E+01 -1.8369E+01 H1 2909 1.008000 0.423800 6.4089E+00 -1.9021E+01 -1.8114E+01 H2 2910 1.008000 0.423800 7.4579E+00 -1.7774E+01 -1.8009E+01 O6 2911 15.999400 -0.847600 1.0922E+01 -7.4335E+00 -1.1244E+01 H1 2912 1.008000 0.423800 1.1041E+01 -8.1271E+00 -1.0533E+01 H2 2913 1.008000 0.423800 9.9919E+00 -7.0684E+00 -1.1201E+01 O6 2914 15.999400 -0.847600 -1.6932E+01 -4.1364E-03 1.3836E+01 H1 2915 1.008000 0.423800 -1.7369E+01 5.8705E-01 1.4514E+01 H2 2916 1.008000 0.423800 -1.6528E+01 5.5815E-01 1.3115E+01 O6 2917 15.999400 -0.847600 4.2882E+00 -6.6841E+00 -3.0083E+00 H1 2918 1.008000 0.423800 5.2102E+00 -7.0398E+00 -2.8557E+00 H2 2919 1.008000 0.423800 4.1296E+00 -6.5795E+00 -3.9901E+00 O6 2920 15.999400 -0.847600 -1.8943E+01 -1.9058E+01 -7.1213E+00 H1 2921 1.008000 0.423800 -1.8730E+01 1.9140E+01 -7.5015E+00 H2 2922 1.008000 0.423800 -1.9039E+01 -1.8396E+01 -7.8648E+00 O6 2923 15.999400 -0.847600 1.1585E-01 -1.8343E+01 3.3918E+00 H1 2924 1.008000 0.423800 5.9578E-01 -1.9080E+01 2.9151E+00 H2 2925 1.008000 0.423800 -8.5337E-01 -1.8364E+01 3.1465E+00 O6 2926 15.999400 -0.847600 1.6304E+01 -2.6142E+00 1.7789E+01 H1 2927 1.008000 0.423800 1.5753E+01 -2.2382E+00 1.8534E+01 H2 2928 1.008000 0.423800 1.5722E+01 -3.1575E+00 1.7184E+01 O6 2929 15.999400 -0.847600 1.7187E+01 9.4620E+00 9.7482E+00 H1 2930 1.008000 0.423800 1.6526E+01 1.0209E+01 9.6758E+00 H2 2931 1.008000 0.423800 1.6831E+01 8.6559E+00 9.2755E+00 O6 2932 15.999400 -0.847600 1.2528E+01 -6.2237E-01 9.3503E+00 H1 2933 1.008000 0.423800 1.2654E+01 2.0004E-01 8.7955E+00 H2 2934 1.008000 0.423800 1.2663E+01 -3.9724E-01 1.0315E+01 O6 2935 15.999400 -0.847600 9.5435E-01 -1.5379E+01 -1.5994E+01 H1 2936 1.008000 0.423800 1.2166E+00 -1.4423E+01 -1.6127E+01 H2 2937 1.008000 0.423800 -4.2846E-02 -1.5454E+01 -1.5992E+01 O6 2938 15.999400 -0.847600 -1.6990E+01 -8.5371E+00 -1.3851E+01 H1 2939 1.008000 0.423800 -1.6560E+01 -9.3387E+00 -1.3435E+01 H2 2940 1.008000 0.423800 -1.7951E+01 -8.4936E+00 -1.3576E+01 O6 2941 15.999400 -0.847600 2.3425E+00 -9.6203E+00 -7.1238E+00 H1 2942 1.008000 0.423800 3.2562E+00 -9.9567E+00 -6.8960E+00 H2 2943 1.008000 0.423800 1.9644E+00 -1.0164E+01 -7.8731E+00 O6 2944 15.999400 -0.847600 1.0928E+01 3.2864E+00 -7.7392E+00 H1 2945 1.008000 0.423800 1.0775E+01 2.3005E+00 -7.6716E+00 H2 2946 1.008000 0.423800 1.1445E+01 3.4871E+00 -8.5711E+00 O6 2947 15.999400 -0.847600 1.3915E+01 1.2070E+01 1.5420E+01 H1 2948 1.008000 0.423800 1.4883E+01 1.2310E+01 1.5494E+01 H2 2949 1.008000 0.423800 1.3614E+01 1.2187E+01 1.4474E+01 O6 2950 15.999400 -0.847600 1.1960E+01 3.6773E+00 1.6689E+01 H1 2951 1.008000 0.423800 1.1600E+01 3.8542E+00 1.5773E+01 H2 2952 1.008000 0.423800 1.1964E+01 2.6922E+00 1.6861E+01 O6 2953 15.999400 -0.847600 -2.4195E-01 -7.6017E-01 -2.1210E+00 H1 2954 1.008000 0.423800 1.7467E-01 4.9128E-02 -2.5351E+00 H2 2955 1.008000 0.423800 -5.1786E-01 -5.4997E-01 -1.1831E+00 O6 2956 15.999400 -0.847600 2.4592E+00 1.1753E+01 -5.6611E-01 H1 2957 1.008000 0.423800 2.6030E+00 1.2116E+01 3.5418E-01 H2 2958 1.008000 0.423800 1.7419E+00 1.1056E+01 -5.4081E-01 O6 2959 15.999400 -0.847600 1.6898E+01 -1.4977E+01 1.2859E-02 H1 2960 1.008000 0.423800 1.7847E+01 -1.4660E+01 -3.0563E-03 H2 2961 1.008000 0.423800 1.6882E+01 -1.5976E+01 5.7219E-02 O6 2962 15.999400 -0.847600 1.3765E+01 2.8500E+00 1.1002E+01 H1 2963 1.008000 0.423800 1.2886E+01 2.3823E+00 1.1100E+01 H2 2964 1.008000 0.423800 1.4077E+01 3.1639E+00 1.1899E+01 O6 2965 15.999400 -0.847600 -1.1104E+01 -1.0717E+01 -9.1179E+00 H1 2966 1.008000 0.423800 -1.1040E+01 -1.0018E+01 -9.8304E+00 H2 2967 1.008000 0.423800 -1.1168E+01 -1.0275E+01 -8.2229E+00 O6 2968 15.999400 -0.847600 1.4171E+00 3.7397E+00 1.0761E+01 H1 2969 1.008000 0.423800 2.1931E+00 3.6478E+00 1.0137E+01 H2 2970 1.008000 0.423800 6.7665E-01 4.2307E+00 1.0302E+01 O6 2971 15.999400 -0.847600 7.3509E+00 7.1256E+00 -1.7422E+01 H1 2972 1.008000 0.423800 6.7168E+00 7.0878E+00 -1.6649E+01 H2 2973 1.008000 0.423800 7.8065E+00 8.0157E+00 -1.7435E+01 O6 2974 15.999400 -0.847600 -1.3516E+01 -1.5829E+01 -1.7873E+00 H1 2975 1.008000 0.423800 -1.4139E+01 -1.5157E+01 -1.3873E+00 H2 2976 1.008000 0.423800 -1.3910E+01 -1.6187E+01 -2.6341E+00 O6 2977 15.999400 -0.847600 -4.0185E+00 -6.1432E+00 -1.3772E+01 H1 2978 1.008000 0.423800 -3.1669E+00 -5.9703E+00 -1.3277E+01 H2 2979 1.008000 0.423800 -3.9504E+00 -7.0141E+00 -1.4259E+01 O6 2980 15.999400 -0.847600 1.7777E+01 -9.3123E-01 1.7079E+00 H1 2981 1.008000 0.423800 1.8070E+01 -1.3416E+00 2.5715E+00 H2 2982 1.008000 0.423800 1.7813E+01 6.5270E-02 1.7836E+00 O6 2983 15.999400 -0.847600 6.0258E+00 1.6739E+00 -1.0490E+01 H1 2984 1.008000 0.423800 5.0730E+00 1.5127E+00 -1.0747E+01 H2 2985 1.008000 0.423800 6.0829E+00 2.4929E+00 -9.9186E+00 O6 2986 15.999400 -0.847600 -1.8559E+01 4.9281E+00 1.4780E+01 H1 2987 1.008000 0.423800 -1.9112E+01 4.3782E+00 1.5407E+01 H2 2988 1.008000 0.423800 -1.9100E+01 5.1560E+00 1.3971E+01 O6 2989 15.999400 -0.847600 1.0332E+01 7.8929E+00 5.6556E+00 H1 2990 1.008000 0.423800 1.1093E+01 7.3668E+00 6.0367E+00 H2 2991 1.008000 0.423800 9.9117E+00 7.3775E+00 4.9091E+00 O6 2992 15.999400 -0.847600 6.7908E-01 1.7349E+01 -6.6927E+00 H1 2993 1.008000 0.423800 4.4361E-01 1.7759E+01 -5.8119E+00 H2 2994 1.008000 0.423800 4.3069E-01 1.7976E+01 -7.4302E+00 O6 2995 15.999400 -0.847600 1.6777E+01 -1.6488E+01 -1.8305E+01 H1 2996 1.008000 0.423800 1.7605E+01 -1.6547E+01 -1.8861E+01 H2 2997 1.008000 0.423800 1.6831E+01 -1.5687E+01 -1.7709E+01 O6 2998 15.999400 -0.847600 -1.8208E+01 1.6231E+00 4.0474E+00 H1 2999 1.008000 0.423800 -1.8400E+01 1.5109E+00 5.0223E+00 H2 3000 1.008000 0.423800 -1.7468E+01 2.2851E+00 3.9279E+00 O6 3001 15.999400 -0.847600 -9.4245E+00 1.5674E+01 -1.7768E+01 H1 3002 1.008000 0.423800 -8.8544E+00 1.5099E+01 -1.7181E+01 H2 3003 1.008000 0.423800 -9.1256E+00 1.5580E+01 -1.8718E+01 O6 3004 15.999400 -0.847600 1.5960E+01 1.5004E+01 1.6014E+01 H1 3005 1.008000 0.423800 1.6200E+01 1.4182E+01 1.5498E+01 H2 3006 1.008000 0.423800 1.5280E+01 1.5531E+01 1.5505E+01 O6 3007 15.999400 -0.847600 -6.8917E+00 2.3740E+00 -1.3541E+01 H1 3008 1.008000 0.423800 -7.8544E+00 2.6092E+00 -1.3407E+01 H2 3009 1.008000 0.423800 -6.8234E+00 1.5853E+00 -1.4152E+01 O6 3010 15.999400 -0.847600 -1.9538E+01 -6.0926E+00 -1.5839E+01 H1 3011 1.008000 0.423800 -1.9492E+01 -6.3010E+00 -1.6816E+01 H2 3012 1.008000 0.423800 -1.9197E+01 -6.8733E+00 -1.5315E+01 O6 3013 15.999400 -0.847600 1.8208E+01 -5.0784E+00 -3.2814E+00 H1 3014 1.008000 0.423800 1.8644E+01 -4.5017E+00 -3.9724E+00 H2 3015 1.008000 0.423800 1.8360E+01 -4.6849E+00 -2.3748E+00 O6 3016 15.999400 -0.847600 1.7563E+00 -1.8446E+01 -1.9054E+01 H1 3017 1.008000 0.423800 1.7352E+00 -1.8764E+01 1.9095E+01 H2 3018 1.008000 0.423800 2.6952E+00 -1.8211E+01 -1.8803E+01 O6 3019 15.999400 -0.847600 -1.6564E+00 9.9023E+00 1.6751E+01 H1 3020 1.008000 0.423800 -2.1960E+00 9.0983E+00 1.6501E+01 H2 3021 1.008000 0.423800 -1.6340E+00 1.0541E+01 1.5982E+01 O6 3022 15.999400 -0.847600 1.5277E+01 -1.4655E+01 1.8578E+01 H1 3023 1.008000 0.423800 1.6132E+01 -1.4641E+01 1.9096E+01 H2 3024 1.008000 0.423800 1.5056E+01 -1.5597E+01 1.8326E+01 O6 3025 15.999400 -0.847600 -5.0272E+00 2.0356E+00 -4.3673E+00 H1 3026 1.008000 0.423800 -4.1202E+00 1.7910E+00 -4.0242E+00 H2 3027 1.008000 0.423800 -5.6694E+00 2.0892E+00 -3.6026E+00 O6 3028 15.999400 -0.847600 -1.0209E+01 3.6530E+00 -5.6911E+00 H1 3029 1.008000 0.423800 -1.0665E+01 4.3739E+00 -5.1685E+00 H2 3030 1.008000 0.423800 -9.5749E+00 3.1601E+00 -5.0959E+00 O6 3031 15.999400 -0.847600 1.7099E+01 1.7696E+01 2.8790E+00 H1 3032 1.008000 0.423800 1.7026E+01 1.6699E+01 2.9115E+00 H2 3033 1.008000 0.423800 1.8063E+01 1.7961E+01 2.8962E+00 O6 3034 15.999400 -0.847600 7.3341E-01 1.1903E+01 -1.9298E+01 H1 3035 1.008000 0.423800 7.6620E-01 1.2684E+01 -1.8674E+01 H2 3036 1.008000 0.423800 -1.8715E-01 1.1820E+01 1.9418E+01 O6 3037 15.999400 -0.847600 4.3950E+00 -1.7789E+01 4.1707E+00 H1 3038 1.008000 0.423800 4.2224E+00 -1.8030E+01 3.2157E+00 H2 3039 1.008000 0.423800 4.3053E+00 -1.8605E+01 4.7419E+00 O6 3040 15.999400 -0.847600 -8.7056E+00 -1.1451E+01 1.8208E+01 H1 3041 1.008000 0.423800 -8.7811E+00 -1.0549E+01 1.7782E+01 H2 3042 1.008000 0.423800 -9.5070E+00 -1.2000E+01 1.7970E+01 O6 3043 15.999400 -0.847600 1.4235E+01 -1.4064E+01 -1.9543E-01 H1 3044 1.008000 0.423800 1.5208E+01 -1.4274E+01 -9.7072E-02 H2 3045 1.008000 0.423800 1.3759E+01 -1.4282E+01 6.5638E-01 O6 3046 15.999400 -0.847600 1.2927E+01 -2.4903E+00 1.7308E+01 H1 3047 1.008000 0.423800 1.3348E+01 -2.3114E+00 1.8197E+01 H2 3048 1.008000 0.423800 1.3259E+01 -3.3636E+00 1.6951E+01 O6 3049 15.999400 -0.847600 1.4640E+01 -1.2373E+01 -2.4370E+00 H1 3050 1.008000 0.423800 1.4901E+01 -1.1419E+01 -2.2898E+00 H2 3051 1.008000 0.423800 1.4517E+01 -1.2825E+01 -1.5534E+00 O6 3052 15.999400 -0.847600 -1.6394E+01 -4.2457E+00 -1.2197E+01 H1 3053 1.008000 0.423800 -1.5846E+01 -3.9096E+00 -1.1431E+01 H2 3054 1.008000 0.423800 -1.6711E+01 -3.4715E+00 -1.2745E+01 O6 3055 15.999400 -0.847600 -3.4433E+00 -8.8281E+00 1.8374E+01 H1 3056 1.008000 0.423800 -4.0981E+00 -9.2489E+00 1.7747E+01 H2 3057 1.008000 0.423800 -2.7029E+00 -9.4726E+00 1.8565E+01 O6 3058 15.999400 -0.847600 1.0553E+01 -9.5393E+00 3.8096E+00 H1 3059 1.008000 0.423800 9.8470E+00 -9.0415E+00 3.3052E+00 H2 3060 1.008000 0.423800 1.0233E+01 -9.7189E+00 4.7400E+00 O6 3061 15.999400 -0.847600 1.4778E+01 8.5697E+00 1.5310E+01 H1 3062 1.008000 0.423800 1.4516E+01 7.6376E+00 1.5560E+01 H2 3063 1.008000 0.423800 1.5206E+01 9.0176E+00 1.6095E+01 O6 3064 15.999400 -0.847600 4.7957E+00 -1.5758E+01 1.9421E+01 H1 3065 1.008000 0.423800 4.2772E+00 -1.5734E+01 -1.8822E+01 H2 3066 1.008000 0.423800 5.5694E+00 -1.5127E+01 1.9483E+01 O6 3067 15.999400 -0.847600 7.0264E+00 1.3105E+01 -1.8618E+00 H1 3068 1.008000 0.423800 7.6001E+00 1.3440E+01 -1.1141E+00 H2 3069 1.008000 0.423800 6.3455E+00 1.2468E+01 -1.5003E+00 O6 3070 15.999400 -0.847600 -1.5718E+01 -1.2829E+01 -1.0746E+01 H1 3071 1.008000 0.423800 -1.6126E+01 -1.3648E+01 -1.0342E+01 H2 3072 1.008000 0.423800 -1.5057E+01 -1.2436E+01 -1.0107E+01 O6 3073 15.999400 -0.847600 6.6564E-01 -1.2841E+01 5.6919E+00 H1 3074 1.008000 0.423800 3.9432E-01 -1.2076E+01 5.1082E+00 H2 3075 1.008000 0.423800 1.5307E+00 -1.3220E+01 5.3635E+00 O6 3076 15.999400 -0.847600 3.2348E+00 -1.5758E+01 -1.7406E+01 H1 3077 1.008000 0.423800 2.3500E+00 -1.5798E+01 -1.6941E+01 H2 3078 1.008000 0.423800 3.5339E+00 -1.4806E+01 -1.7472E+01 O6 3079 15.999400 -0.847600 -1.7260E+01 1.4656E+01 4.1518E+00 H1 3080 1.008000 0.423800 -1.6881E+01 1.3739E+01 4.0320E+00 H2 3081 1.008000 0.423800 -1.6795E+01 1.5292E+01 3.5352E+00 O6 3082 15.999400 -0.847600 1.4478E+01 1.7874E+01 -2.2786E+00 H1 3083 1.008000 0.423800 1.4397E+01 1.6986E+01 -1.8263E+00 H2 3084 1.008000 0.423800 1.3657E+01 1.8416E+01 -2.0987E+00 O6 3085 15.999400 -0.847600 1.0158E+01 2.4148E+00 2.9184E+00 H1 3086 1.008000 0.423800 1.0656E+01 3.0310E+00 2.3087E+00 H2 3087 1.008000 0.423800 1.0275E+01 1.4716E+00 2.6076E+00 O6 3088 15.999400 -0.847600 -6.5459E+00 3.5282E+00 9.9155E+00 H1 3089 1.008000 0.423800 -5.9894E+00 3.1405E+00 1.0650E+01 H2 3090 1.008000 0.423800 -6.6213E+00 4.5174E+00 1.0041E+01 O6 3091 15.999400 -0.847600 5.5448E+00 1.0295E+01 1.6480E+01 H1 3092 1.008000 0.423800 5.0969E+00 1.0921E+01 1.7119E+01 H2 3093 1.008000 0.423800 6.5249E+00 1.0492E+01 1.6453E+01 O6 3094 15.999400 -0.847600 -6.3308E+00 -1.4981E+01 9.3037E+00 H1 3095 1.008000 0.423800 -5.7117E+00 -1.5234E+01 8.5600E+00 H2 3096 1.008000 0.423800 -5.7971E+00 -1.4685E+01 1.0095E+01 O6 3097 15.999400 -0.847600 1.5234E+01 5.4640E+00 -3.4279E+00 H1 3098 1.008000 0.423800 1.4759E+01 4.5858E+00 -3.4888E+00 H2 3099 1.008000 0.423800 1.6041E+01 5.3670E+00 -2.8462E+00 O6 3100 15.999400 -0.847600 -1.7251E+01 -3.4486E-01 1.9451E+01 H1 3101 1.008000 0.423800 -1.7393E+01 -6.1152E-01 -1.8693E+01 H2 3102 1.008000 0.423800 -1.6294E+01 -9.1138E-02 1.9315E+01 O6 3103 15.999400 -0.847600 9.4177E+00 1.5066E+01 -1.1516E+01 H1 3104 1.008000 0.423800 9.3385E+00 1.5501E+01 -1.0619E+01 H2 3105 1.008000 0.423800 8.5919E+00 1.5248E+01 -1.2049E+01 O6 3106 15.999400 -0.847600 1.8887E+00 1.5405E+01 2.0661E+00 H1 3107 1.008000 0.423800 1.0226E+00 1.5359E+01 2.5639E+00 H2 3108 1.008000 0.423800 1.7340E+00 1.5173E+01 1.1058E+00 O6 3109 15.999400 -0.847600 1.3079E+01 1.4591E+00 7.6691E+00 H1 3110 1.008000 0.423800 1.3697E+01 1.4921E+00 8.4547E+00 H2 3111 1.008000 0.423800 1.2961E+01 2.3806E+00 7.2993E+00 O6 3112 15.999400 -0.847600 -7.6010E+00 5.6069E+00 -1.7128E+01 H1 3113 1.008000 0.423800 -7.0023E+00 4.8991E+00 -1.6753E+01 H2 3114 1.008000 0.423800 -8.1674E+00 5.9863E+00 -1.6397E+01 O6 3115 15.999400 -0.847600 -1.7935E+01 1.3181E+01 -1.2100E+01 H1 3116 1.008000 0.423800 -1.7690E+01 1.4132E+01 -1.2291E+01 H2 3117 1.008000 0.423800 -1.8484E+01 1.2821E+01 -1.2854E+01 O6 3118 15.999400 -0.847600 1.3267E+00 7.5684E+00 -1.0616E+01 H1 3119 1.008000 0.423800 1.0457E+00 8.2615E+00 -9.9521E+00 H2 3120 1.008000 0.423800 1.7014E+00 6.7769E+00 -1.0133E+01 O6 3121 15.999400 -0.847600 2.8801E+00 2.0922E+00 -8.0294E-01 H1 3122 1.008000 0.423800 3.4675E+00 2.8491E+00 -5.1634E-01 H2 3123 1.008000 0.423800 3.2618E+00 1.2298E+00 -4.7055E-01 O6 3124 15.999400 -0.847600 1.7529E+01 6.6666E+00 1.9035E+01 H1 3125 1.008000 0.423800 1.6945E+01 6.5239E+00 1.8236E+01 H2 3126 1.008000 0.423800 1.8402E+01 7.0598E+00 1.8744E+01 O6 3127 15.999400 -0.847600 -8.9664E+00 -1.5885E+01 1.3919E+01 H1 3128 1.008000 0.423800 -9.2620E+00 -1.6792E+01 1.3620E+01 H2 3129 1.008000 0.423800 -8.0065E+00 -1.5750E+01 1.3674E+01 O6 3130 15.999400 -0.847600 1.2774E+01 6.7207E+00 6.2125E+00 H1 3131 1.008000 0.423800 1.2726E+01 7.6141E+00 6.6592E+00 H2 3132 1.008000 0.423800 1.3695E+01 6.3452E+00 6.3179E+00 O6 3133 15.999400 -0.847600 9.9227E+00 -1.0354E+01 1.0120E+01 H1 3134 1.008000 0.423800 9.4528E+00 -9.4708E+00 1.0120E+01 H2 3135 1.008000 0.423800 9.6523E+00 -1.0876E+01 1.0928E+01 O6 3136 15.999400 -0.847600 -1.3315E+01 -1.3237E+01 1.5026E+01 H1 3137 1.008000 0.423800 -1.2692E+01 -1.3294E+01 1.4246E+01 H2 3138 1.008000 0.423800 -1.3124E+01 -1.3985E+01 1.5660E+01 O6 3139 15.999400 -0.847600 -1.3001E-01 -1.6202E+01 -2.2104E+00 H1 3140 1.008000 0.423800 -8.0609E-01 -1.5571E+01 -1.8302E+00 H2 3141 1.008000 0.423800 -5.8067E-02 -1.7007E+01 -1.6219E+00 O6 3142 15.999400 -0.847600 1.3081E+01 9.5142E+00 7.2279E+00 H1 3143 1.008000 0.423800 1.3315E+01 1.0361E+01 6.7499E+00 H2 3144 1.008000 0.423800 1.3519E+01 9.5074E+00 8.1271E+00 O6 3145 15.999400 -0.847600 -1.0852E+01 2.6339E+00 3.8596E+00 H1 3146 1.008000 0.423800 -1.0574E+01 1.7863E+00 3.4076E+00 H2 3147 1.008000 0.423800 -1.0048E+01 3.2080E+00 4.0150E+00 O6 3148 15.999400 -0.847600 -9.1780E+00 -1.4518E+01 -1.0743E+01 H1 3149 1.008000 0.423800 -1.0175E+01 -1.4600E+01 -1.0759E+01 H2 3150 1.008000 0.423800 -8.7851E+00 -1.5320E+01 -1.0292E+01 O6 3151 15.999400 -0.847600 3.2096E-01 -1.9209E+01 -8.1548E+00 H1 3152 1.008000 0.423800 -3.4912E-01 -1.8664E+01 -7.6511E+00 H2 3153 1.008000 0.423800 1.1608E+00 -1.8679E+01 -8.2727E+00 O6 3154 15.999400 -0.847600 5.8813E+00 -1.5741E+01 4.7666E+00 H1 3155 1.008000 0.423800 6.6537E+00 -1.6146E+01 5.2556E+00 H2 3156 1.008000 0.423800 5.1339E+00 -1.6403E+01 4.7166E+00 O6 3157 15.999400 -0.847600 -4.1800E+00 7.3035E+00 9.9507E+00 H1 3158 1.008000 0.423800 -3.2589E+00 7.6520E+00 9.7767E+00 H2 3159 1.008000 0.423800 -4.4542E+00 7.5379E+00 1.0883E+01 O6 3160 15.999400 -0.847600 -2.1974E+00 -1.8470E+01 8.3713E+00 H1 3161 1.008000 0.423800 -2.3811E+00 -1.8179E+01 7.4323E+00 H2 3162 1.008000 0.423800 -2.7060E+00 -1.7888E+01 9.0059E+00 O6 3163 15.999400 -0.847600 -1.7527E+01 1.6187E+00 -7.0274E+00 H1 3164 1.008000 0.423800 -1.7242E+01 1.5860E+00 -7.9855E+00 H2 3165 1.008000 0.423800 -1.6718E+01 1.6189E+00 -6.4395E+00 O6 3166 15.999400 -0.847600 -6.4807E+00 -2.6834E+00 -5.2459E+00 H1 3167 1.008000 0.423800 -7.3958E+00 -3.0818E+00 -5.1829E+00 H2 3168 1.008000 0.423800 -5.8241E+00 -3.3948E+00 -5.4964E+00 O6 3169 15.999400 -0.847600 -8.2574E+00 3.9148E+00 3.8797E+00 H1 3170 1.008000 0.423800 -7.4973E+00 3.5893E+00 3.3173E+00 H2 3171 1.008000 0.423800 -8.0056E+00 4.7810E+00 4.3112E+00 O6 3172 15.999400 -0.847600 9.0356E+00 1.0234E+01 -3.8424E+00 H1 3173 1.008000 0.423800 8.8200E+00 1.1201E+01 -3.7097E+00 H2 3174 1.008000 0.423800 9.0476E+00 1.0026E+01 -4.8205E+00 O6 3175 15.999400 -0.847600 1.1645E+01 -1.6290E+00 -1.8490E+01 H1 3176 1.008000 0.423800 1.0987E+01 -1.2914E+00 -1.9164E+01 H2 3177 1.008000 0.423800 1.1447E+01 -2.5869E+00 -1.8282E+01 O6 3178 15.999400 -0.847600 1.5199E+01 1.6029E+01 -9.9931E+00 H1 3179 1.008000 0.423800 1.5666E+01 1.5181E+01 -1.0245E+01 H2 3180 1.008000 0.423800 1.4222E+01 1.5849E+01 -9.8772E+00 O6 3181 15.999400 -0.847600 -7.4412E+00 -4.7829E+00 -1.6529E+00 H1 3182 1.008000 0.423800 -7.6847E+00 -4.1043E+00 -9.5984E-01 H2 3183 1.008000 0.423800 -6.4589E+00 -4.9650E+00 -1.6104E+00 O6 3184 15.999400 -0.847600 -1.6835E-01 1.1281E+01 2.1363E+00 H1 3185 1.008000 0.423800 3.0416E-01 1.0404E+01 2.0459E+00 H2 3186 1.008000 0.423800 4.9371E-01 1.2026E+01 2.0565E+00 O6 3187 15.999400 -0.847600 1.8576E+01 1.0702E+01 1.7943E+01 H1 3188 1.008000 0.423800 1.8430E+01 1.1020E+01 1.8880E+01 H2 3189 1.008000 0.423800 1.8956E+01 1.1446E+01 1.7394E+01 O6 3190 15.999400 -0.847600 -7.8522E+00 -9.4638E+00 -1.6416E+01 H1 3191 1.008000 0.423800 -8.1832E+00 -9.5660E+00 -1.7354E+01 H2 3192 1.008000 0.423800 -7.4992E+00 -1.0341E+01 -1.6089E+01 O6 3193 15.999400 -0.847600 -1.4689E+01 -1.8776E+01 6.5202E-02 H1 3194 1.008000 0.423800 -1.4514E+01 -1.9297E+01 -7.7072E-01 H2 3195 1.008000 0.423800 -1.3824E+01 -1.8427E+01 4.2695E-01 O6 3196 15.999400 -0.847600 1.3703E+01 -9.1546E+00 7.4237E+00 H1 3197 1.008000 0.423800 1.3642E+01 -8.8781E+00 8.3828E+00 H2 3198 1.008000 0.423800 1.4548E+01 -9.6690E+00 7.2783E+00 O6 3199 15.999400 -0.847600 3.8585E+00 -1.1854E+01 -1.9173E+00 H1 3200 1.008000 0.423800 4.5532E+00 -1.2487E+01 -1.5753E+00 H2 3201 1.008000 0.423800 3.1804E+00 -1.1686E+01 -1.2020E+00 O6 3202 15.999400 -0.847600 1.8609E+01 -1.6892E+01 -1.4331E+01 H1 3203 1.008000 0.423800 1.9185E+01 -1.6327E+01 -1.4922E+01 H2 3204 1.008000 0.423800 1.7654E+01 -1.6808E+01 -1.4618E+01 O6 3205 15.999400 -0.847600 -1.8224E+01 9.4466E+00 1.9305E+01 H1 3206 1.008000 0.423800 -1.8919E+01 9.7090E+00 1.8637E+01 H2 3207 1.008000 0.423800 -1.7441E+01 9.0427E+00 1.8831E+01 O6 3208 15.999400 -0.847600 8.3524E-01 6.4349E+00 3.1229E+00 H1 3209 1.008000 0.423800 1.0106E+00 5.6688E+00 3.7412E+00 H2 3210 1.008000 0.423800 3.4454E-01 6.1063E+00 2.3159E+00 O6 3211 15.999400 -0.847600 1.8432E+01 1.1304E+01 -2.6903E+00 H1 3212 1.008000 0.423800 1.7486E+01 1.0979E+01 -2.6924E+00 H2 3213 1.008000 0.423800 1.8590E+01 1.1877E+01 -3.4946E+00 O6 3214 15.999400 -0.847600 -1.6704E+01 -1.1396E+01 -5.4926E+00 H1 3215 1.008000 0.423800 -1.5870E+01 -1.1024E+01 -5.0840E+00 H2 3216 1.008000 0.423800 -1.6945E+01 -1.2253E+01 -5.0364E+00 O6 3217 15.999400 -0.847600 -1.1396E+01 -5.9885E+00 -1.3796E+00 H1 3218 1.008000 0.423800 -1.1271E+01 -6.8019E+00 -1.9477E+00 H2 3219 1.008000 0.423800 -1.2271E+01 -6.0498E+00 -8.9818E-01 O6 3220 15.999400 -0.847600 2.1807E+00 1.5844E+00 4.8713E+00 H1 3221 1.008000 0.423800 1.3652E+00 1.2132E+00 5.3153E+00 H2 3222 1.008000 0.423800 1.9679E+00 2.4785E+00 4.4772E+00 O6 3223 15.999400 -0.847600 -1.0149E+01 -8.1412E+00 6.0169E-01 H1 3224 1.008000 0.423800 -1.0249E+01 -7.1774E+00 8.4853E-01 H2 3225 1.008000 0.423800 -9.7723E+00 -8.2112E+00 -3.2203E-01 O6 3226 15.999400 -0.847600 7.3104E+00 1.0226E+01 4.9076E+00 H1 3227 1.008000 0.423800 7.8164E+00 1.0240E+01 4.0451E+00 H2 3228 1.008000 0.423800 7.9534E+00 1.0273E+01 5.6720E+00 O6 3229 15.999400 -0.847600 1.1804E+01 -8.2393E+00 -1.3834E+01 H1 3230 1.008000 0.423800 1.1225E+01 -8.9769E+00 -1.4181E+01 H2 3231 1.008000 0.423800 1.1516E+01 -7.9968E+00 -1.2907E+01 O6 3232 15.999400 -0.847600 -1.3284E+00 -1.0708E+01 1.8349E+01 H1 3233 1.008000 0.423800 -1.1684E+00 -1.1695E+01 1.8345E+01 H2 3234 1.008000 0.423800 -4.6615E-01 -1.0232E+01 1.8520E+01 O6 3235 15.999400 -0.847600 1.8978E+01 1.4064E+00 -3.8160E+00 H1 3236 1.008000 0.423800 1.9068E+01 2.2791E+00 -3.3364E+00 H2 3237 1.008000 0.423800 1.8914E+01 1.5720E+00 -4.8001E+00 O6 3238 15.999400 -0.847600 1.8812E+01 -1.8093E+01 -5.1532E+00 H1 3239 1.008000 0.423800 1.8396E+01 -1.8871E+01 -4.6826E+00 H2 3240 1.008000 0.423800 1.9439E+01 -1.8425E+01 -5.8578E+00 O6 3241 15.999400 -0.847600 1.7464E+01 4.8082E+00 -1.0773E+01 H1 3242 1.008000 0.423800 1.8188E+01 4.6922E+00 -1.1453E+01 H2 3243 1.008000 0.423800 1.7865E+01 4.8173E+00 -9.8569E+00 O6 3244 15.999400 -0.847600 -1.8683E+01 -1.2887E+01 -1.7932E+01 H1 3245 1.008000 0.423800 -1.8812E+01 -1.3257E+01 -1.8852E+01 H2 3246 1.008000 0.423800 -1.8720E+01 -1.1888E+01 -1.7966E+01 O6 3247 15.999400 -0.847600 -5.6641E+00 -1.6388E+01 6.9859E+00 H1 3248 1.008000 0.423800 -6.3657E+00 -1.7064E+01 6.7591E+00 H2 3249 1.008000 0.423800 -4.7591E+00 -1.6776E+01 6.8097E+00 O6 3250 15.999400 -0.847600 -4.1938E+00 4.5903E+00 4.8330E-01 H1 3251 1.008000 0.423800 -3.8046E+00 4.5982E+00 1.4044E+00 H2 3252 1.008000 0.423800 -3.4808E+00 4.3567E+00 -1.7776E-01 O6 3253 15.999400 -0.847600 -1.7228E+01 -1.6580E+01 -1.1554E+01 H1 3254 1.008000 0.423800 -1.7532E+01 -1.7461E+01 -1.1192E+01 H2 3255 1.008000 0.423800 -1.7990E+01 -1.6129E+01 -1.2017E+01 O6 3256 15.999400 -0.847600 1.4571E+01 -4.4144E+00 1.6207E+01 H1 3257 1.008000 0.423800 1.4495E+01 -5.2542E+00 1.6745E+01 H2 3258 1.008000 0.423800 1.4233E+01 -4.5802E+00 1.5281E+01 O6 3259 15.999400 -0.847600 -1.1893E+01 1.1675E+01 -1.8234E+01 H1 3260 1.008000 0.423800 -1.2439E+01 1.1849E+01 -1.9054E+01 H2 3261 1.008000 0.423800 -1.2084E+01 1.2379E+01 -1.7551E+01 O6 3262 15.999400 -0.847600 -8.2583E+00 1.8441E+01 1.2834E+01 H1 3263 1.008000 0.423800 -7.9847E+00 1.9389E+01 1.3001E+01 H2 3264 1.008000 0.423800 -7.8933E+00 1.8139E+01 1.1954E+01 O6 3265 15.999400 -0.847600 -3.7915E+00 6.5905E-01 -7.8806E+00 H1 3266 1.008000 0.423800 -3.8948E+00 1.0824E+00 -8.7807E+00 H2 3267 1.008000 0.423800 -4.6782E+00 3.1689E-01 -7.5696E+00 O6 3268 15.999400 -0.847600 1.0438E+01 -1.6965E+01 1.7133E+01 H1 3269 1.008000 0.423800 9.4616E+00 -1.6781E+01 1.7252E+01 H2 3270 1.008000 0.423800 1.0921E+01 -1.6763E+01 1.7985E+01 O6 3271 15.999400 -0.847600 2.1576E+00 -6.4362E+00 -1.7784E+01 H1 3272 1.008000 0.423800 1.8632E+00 -5.4857E+00 -1.7685E+01 H2 3273 1.008000 0.423800 1.4914E+00 -6.9351E+00 -1.8338E+01 O6 3274 15.999400 -0.847600 2.8818E+00 -1.8780E+01 1.5879E+01 H1 3275 1.008000 0.423800 3.3058E+00 -1.7882E+01 1.5765E+01 H2 3276 1.008000 0.423800 3.5656E+00 -1.9493E+01 1.5725E+01 O6 3277 15.999400 -0.847600 9.0288E+00 9.4176E+00 -1.7224E+01 H1 3278 1.008000 0.423800 9.6943E+00 9.4124E+00 -1.6478E+01 H2 3279 1.008000 0.423800 9.4758E+00 9.1302E+00 -1.8071E+01 O6 3280 15.999400 -0.847600 5.9290E-01 1.3427E+00 -9.9090E+00 H1 3281 1.008000 0.423800 -1.1604E-01 1.9151E+00 -1.0321E+01 H2 3282 1.008000 0.423800 9.1884E-01 6.7926E-01 -1.0583E+01 O6 3283 15.999400 -0.847600 -9.9517E+00 3.9559E+00 1.5384E+01 H1 3284 1.008000 0.423800 -1.0884E+01 3.7412E+00 1.5093E+01 H2 3285 1.008000 0.423800 -9.3543E+00 3.1780E+00 1.5189E+01 O6 3286 15.999400 -0.847600 -1.6727E+01 -9.7766E+00 -1.6216E+01 H1 3287 1.008000 0.423800 -1.6884E+01 -9.2081E+00 -1.5408E+01 H2 3288 1.008000 0.423800 -1.7598E+01 -9.9543E+00 -1.6674E+01 O6 3289 15.999400 -0.847600 -1.3037E+01 -1.4566E+01 -5.8105E+00 H1 3290 1.008000 0.423800 -1.2153E+01 -1.4599E+01 -5.3450E+00 H2 3291 1.008000 0.423800 -1.3072E+01 -1.5280E+01 -6.5102E+00 O6 3292 15.999400 -0.847600 6.9975E+00 7.2682E+00 1.1995E+01 H1 3293 1.008000 0.423800 7.4298E+00 8.1669E+00 1.2070E+01 H2 3294 1.008000 0.423800 6.0091E+00 7.3629E+00 1.2114E+01 O6 3295 15.999400 -0.847600 -6.4302E+00 9.4974E+00 1.5110E+01 H1 3296 1.008000 0.423800 -7.3886E+00 9.2776E+00 1.5292E+01 H2 3297 1.008000 0.423800 -6.3180E+00 9.7207E+00 1.4141E+01 O6 3298 15.999400 -0.847600 -1.0788E+01 8.7020E-01 -4.0768E+00 H1 3299 1.008000 0.423800 -1.0341E+01 1.1780E+00 -3.2368E+00 H2 3300 1.008000 0.423800 -1.1761E+01 7.2392E-01 -3.9021E+00 O6 3301 15.999400 -0.847600 -6.4314E+00 -7.9638E+00 -1.2949E+01 H1 3302 1.008000 0.423800 -6.2266E+00 -7.9543E+00 -1.1970E+01 H2 3303 1.008000 0.423800 -7.3288E+00 -8.3790E+00 -1.3098E+01 O6 3304 15.999400 -0.847600 -1.3432E+01 -5.5870E+00 4.5618E+00 H1 3305 1.008000 0.423800 -1.3823E+01 -4.7206E+00 4.2513E+00 H2 3306 1.008000 0.423800 -1.2657E+01 -5.8305E+00 3.9788E+00 O6 3307 15.999400 -0.847600 5.9609E+00 3.3689E-01 1.2563E+00 H1 3308 1.008000 0.423800 5.3317E+00 1.3989E-02 5.4920E-01 H2 3309 1.008000 0.423800 6.5340E+00 1.0670E+00 8.8415E-01 O6 3310 15.999400 -0.847600 -1.5665E+01 5.2485E+00 1.3089E+01 H1 3311 1.008000 0.423800 -1.5736E+01 4.8034E+00 1.2196E+01 H2 3312 1.008000 0.423800 -1.4749E+01 5.6339E+00 1.3197E+01 O6 3313 15.999400 -0.847600 9.8401E+00 1.3503E+01 -1.5174E+01 H1 3314 1.008000 0.423800 1.0556E+01 1.3546E+01 -1.4477E+01 H2 3315 1.008000 0.423800 1.0251E+01 1.3607E+01 -1.6080E+01 O6 3316 15.999400 -0.847600 -1.0097E+01 5.4911E+00 1.0476E+01 H1 3317 1.008000 0.423800 -1.0627E+01 4.7276E+00 1.0107E+01 H2 3318 1.008000 0.423800 -1.0706E+01 6.2644E+00 1.0654E+01 O6 3319 15.999400 -0.847600 -3.8294E+00 -1.7547E+01 -1.1878E+01 H1 3320 1.008000 0.423800 -4.4280E+00 -1.6757E+01 -1.1746E+01 H2 3321 1.008000 0.423800 -2.8918E+00 -1.7233E+01 -1.2028E+01 O6 3322 15.999400 -0.847600 -6.1157E+00 -5.9864E+00 -8.0168E+00 H1 3323 1.008000 0.423800 -6.7533E+00 -5.2181E+00 -7.9595E+00 H2 3324 1.008000 0.423800 -6.3118E+00 -6.6376E+00 -7.2837E+00 O6 3325 15.999400 -0.847600 1.2412E+01 2.6966E-01 -1.6334E+01 H1 3326 1.008000 0.423800 1.2336E+01 -1.0941E-01 -1.7256E+01 H2 3327 1.008000 0.423800 1.2233E+01 1.2531E+00 -1.6362E+01 O6 3328 15.999400 -0.847600 -1.7565E+01 -9.4619E+00 -1.0382E+01 H1 3329 1.008000 0.423800 -1.7043E+01 -9.6844E+00 -9.5582E+00 H2 3330 1.008000 0.423800 -1.7223E+01 -8.6072E+00 -1.0772E+01 O6 3331 15.999400 -0.847600 4.9518E+00 -9.0236E+00 1.6208E+01 H1 3332 1.008000 0.423800 4.2439E+00 -9.4614E+00 1.5654E+01 H2 3333 1.008000 0.423800 5.1454E+00 -8.1131E+00 1.5843E+01 O6 3334 15.999400 -0.847600 2.1026E+00 -2.6797E+00 5.1570E+00 H1 3335 1.008000 0.423800 2.4113E+00 -2.1156E+00 4.3911E+00 H2 3336 1.008000 0.423800 1.9893E+00 -2.1066E+00 5.9685E+00 O6 3337 15.999400 -0.847600 8.0440E+00 -2.5408E+00 9.5154E+00 H1 3338 1.008000 0.423800 8.1650E+00 -2.1854E+00 1.0442E+01 H2 3339 1.008000 0.423800 7.1987E+00 -3.0731E+00 9.4704E+00 O6 3340 15.999400 -0.847600 1.1407E+01 -8.4991E+00 1.7417E+01 H1 3341 1.008000 0.423800 1.1987E+01 -9.2846E+00 1.7633E+01 H2 3342 1.008000 0.423800 1.1869E+01 -7.9182E+00 1.6747E+01 O6 3343 15.999400 -0.847600 1.7603E+01 -1.5627E+01 -4.9339E+00 H1 3344 1.008000 0.423800 1.8023E+01 -1.6502E+01 -5.1752E+00 H2 3345 1.008000 0.423800 1.8316E+01 -1.4935E+01 -4.8191E+00 O6 3346 15.999400 -0.847600 7.2176E+00 -1.2184E+01 -6.6133E+00 H1 3347 1.008000 0.423800 7.9939E+00 -1.2670E+01 -6.2116E+00 H2 3348 1.008000 0.423800 7.4818E+00 -1.1811E+01 -7.5029E+00 O6 3349 15.999400 -0.847600 -1.4139E+00 -1.1222E+01 -1.2990E+01 H1 3350 1.008000 0.423800 -7.1500E-01 -1.0899E+01 -1.3629E+01 H2 3351 1.008000 0.423800 -1.1702E+00 -1.0945E+01 -1.2061E+01 O6 3352 15.999400 -0.847600 -2.0337E+00 1.6314E+01 7.9446E+00 H1 3353 1.008000 0.423800 -1.2911E+00 1.5691E+01 8.1913E+00 H2 3354 1.008000 0.423800 -2.8675E+00 1.5788E+01 7.7764E+00 O6 3355 15.999400 -0.847600 1.1386E+01 -4.8568E+00 -7.4172E+00 H1 3356 1.008000 0.423800 1.1171E+01 -3.8990E+00 -7.6093E+00 H2 3357 1.008000 0.423800 1.0536E+01 -5.3751E+00 -7.3197E+00 O6 3358 15.999400 -0.847600 1.2930E+01 6.4551E+00 -1.0385E+01 H1 3359 1.008000 0.423800 1.2386E+01 7.0107E+00 -1.1013E+01 H2 3360 1.008000 0.423800 1.2943E+01 6.8877E+00 -9.4836E+00 O6 3361 15.999400 -0.847600 8.2756E-02 4.1941E+00 -1.7230E+01 H1 3362 1.008000 0.423800 -2.8600E-01 4.7926E+00 -1.7941E+01 H2 3363 1.008000 0.423800 2.2575E-02 4.6535E+00 -1.6344E+01 O6 3364 15.999400 -0.847600 1.2924E+01 1.9108E+01 -1.7835E+01 H1 3365 1.008000 0.423800 1.3761E+01 1.8605E+01 -1.7620E+01 H2 3366 1.008000 0.423800 1.2129E+01 1.8554E+01 -1.7587E+01 O6 3367 15.999400 -0.847600 9.6592E+00 -5.1944E+00 1.7074E+00 H1 3368 1.008000 0.423800 1.0593E+01 -5.1691E+00 1.3504E+00 H2 3369 1.008000 0.423800 9.3371E+00 -4.2608E+00 1.8645E+00 O6 3370 15.999400 -0.847600 3.6680E+00 -2.1484E+00 -4.1815E+00 H1 3371 1.008000 0.423800 4.5447E+00 -1.7897E+00 -3.8609E+00 H2 3372 1.008000 0.423800 3.8020E+00 -3.0622E+00 -4.5649E+00 O6 3373 15.999400 -0.847600 1.0054E+01 6.6072E+00 1.4129E+00 H1 3374 1.008000 0.423800 9.9082E+00 6.5485E+00 4.2530E-01 H2 3375 1.008000 0.423800 1.0563E+01 7.4412E+00 1.6258E+00 O6 3376 15.999400 -0.847600 -1.3826E+01 4.2135E+00 1.6959E+01 H1 3377 1.008000 0.423800 -1.4690E+01 3.7155E+00 1.7033E+01 H2 3378 1.008000 0.423800 -1.3235E+01 3.7592E+00 1.6292E+01 O6 3379 15.999400 -0.847600 4.0523E+00 5.6064E+00 6.6313E+00 H1 3380 1.008000 0.423800 5.0113E+00 5.3437E+00 6.5244E+00 H2 3381 1.008000 0.423800 3.9200E+00 6.0264E+00 7.5291E+00 O6 3382 15.999400 -0.847600 -6.1883E+00 -6.0444E+00 6.7326E+00 H1 3383 1.008000 0.423800 -5.9252E+00 -6.9603E+00 7.0360E+00 H2 3384 1.008000 0.423800 -6.1847E+00 -5.4206E+00 7.5141E+00 O6 3385 15.999400 -0.847600 -9.5735E+00 -5.0288E+00 1.0757E+01 H1 3386 1.008000 0.423800 -8.8202E+00 -5.6333E+00 1.0498E+01 H2 3387 1.008000 0.423800 -1.0095E+01 -5.4466E+00 1.1501E+01 O6 3388 15.999400 -0.847600 7.6926E+00 -6.7801E+00 -1.8419E+01 H1 3389 1.008000 0.423800 8.4055E+00 -7.2889E+00 -1.8902E+01 H2 3390 1.008000 0.423800 8.0838E+00 -5.9462E+00 -1.8030E+01 O6 3391 15.999400 -0.847600 -1.0283E+01 8.9149E+00 3.9300E+00 H1 3392 1.008000 0.423800 -1.0294E+01 8.3808E+00 4.7754E+00 H2 3393 1.008000 0.423800 -9.3471E+00 8.9671E+00 3.5815E+00 O6 3394 15.999400 -0.847600 -1.6098E+01 1.9250E+01 2.1285E+00 H1 3395 1.008000 0.423800 -1.5524E+01 -1.9461E+01 1.4064E+00 H2 3396 1.008000 0.423800 -1.6330E+01 -1.9132E+01 2.7880E+00 O6 3397 15.999400 -0.847600 -1.8110E+01 -2.6345E+00 1.4187E+01 H1 3398 1.008000 0.423800 -1.7679E+01 -1.7389E+00 1.4078E+01 H2 3399 1.008000 0.423800 -1.7518E+01 -3.3393E+00 1.3797E+01 O6 3400 15.999400 -0.847600 -1.1773E+01 1.8236E+01 -9.8112E+00 H1 3401 1.008000 0.423800 -1.2517E+01 1.7687E+01 -9.4290E+00 H2 3402 1.008000 0.423800 -1.1528E+01 1.7882E+01 -1.0714E+01 O6 3403 15.999400 -0.847600 -1.7788E+00 1.5387E+01 -5.9727E+00 H1 3404 1.008000 0.423800 -1.8421E+00 1.6244E+01 -6.4841E+00 H2 3405 1.008000 0.423800 -1.1620E+00 1.4760E+01 -6.4484E+00 O6 3406 15.999400 -0.847600 -1.9058E+01 -1.4808E+01 -9.7949E+00 H1 3407 1.008000 0.423800 -1.8857E+01 -1.4848E+01 -1.0774E+01 H2 3408 1.008000 0.423800 1.9175E+01 -1.4327E+01 -9.6516E+00 O6 3409 15.999400 -0.847600 -9.1485E+00 -4.2862E+00 4.8396E+00 H1 3410 1.008000 0.423800 -8.9371E+00 -4.8102E+00 5.6647E+00 H2 3411 1.008000 0.423800 -8.3016E+00 -3.9303E+00 4.4447E+00 O6 3412 15.999400 -0.847600 7.2813E-01 -8.5367E+00 7.4926E+00 H1 3413 1.008000 0.423800 3.3814E-01 -8.8573E+00 8.3558E+00 H2 3414 1.008000 0.423800 1.3933E+00 -9.2047E+00 7.1590E+00 O6 3415 15.999400 -0.847600 4.4120E+00 5.6880E+00 1.4917E+01 H1 3416 1.008000 0.423800 4.7574E+00 6.3975E+00 1.5531E+01 H2 3417 1.008000 0.423800 3.9859E+00 4.9604E+00 1.5454E+01 O6 3418 15.999400 -0.847600 1.3195E+01 1.6928E+01 1.1589E+00 H1 3419 1.008000 0.423800 1.3398E+01 1.6929E+01 2.1381E+00 H2 3420 1.008000 0.423800 1.2300E+01 1.7348E+01 1.0038E+00 O6 3421 15.999400 -0.847600 -1.9354E+01 -4.6915E+00 1.1838E+01 H1 3422 1.008000 0.423800 -1.9433E+01 -3.6945E+00 1.1839E+01 H2 3423 1.008000 0.423800 -1.8880E+01 -4.9874E+00 1.1009E+01 O6 3424 15.999400 -0.847600 8.6592E+00 1.2291E+01 -1.7912E+01 H1 3425 1.008000 0.423800 8.8462E+00 1.1397E+01 -1.7505E+01 H2 3426 1.008000 0.423800 7.6720E+00 1.2407E+01 -1.8022E+01 O6 3427 15.999400 -0.847600 1.8652E+01 -7.7698E+00 -1.0438E+01 H1 3428 1.008000 0.423800 1.8103E+01 -8.5729E+00 -1.0207E+01 H2 3429 1.008000 0.423800 1.8592E+01 -7.1006E+00 -9.6975E+00 O6 3430 15.999400 -0.847600 -1.5302E+01 -5.3177E+00 -3.5276E+00 H1 3431 1.008000 0.423800 -1.4520E+01 -5.6122E+00 -4.0773E+00 H2 3432 1.008000 0.423800 -1.5125E+01 -5.5150E+00 -2.5635E+00 O6 3433 15.999400 -0.847600 1.9407E+01 1.6651E+01 -9.7108E+00 H1 3434 1.008000 0.423800 1.8623E+01 1.7266E+01 -9.6185E+00 H2 3435 1.008000 0.423800 -1.9172E+01 1.6643E+01 -8.8562E+00 O6 3436 15.999400 -0.847600 5.2915E+00 -1.8188E+01 -1.3998E+01 H1 3437 1.008000 0.423800 6.1437E+00 -1.7913E+01 -1.4443E+01 H2 3438 1.008000 0.423800 4.7955E+00 -1.8822E+01 -1.4591E+01 O6 3439 15.999400 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8.7463E+00 1.7195E+01 7.5789E+00 H2 3456 1.008000 0.423800 9.8146E+00 1.8427E+01 7.4913E+00 O6 3457 15.999400 -0.847600 -1.8666E+01 1.2094E+01 -9.4843E+00 H1 3458 1.008000 0.423800 -1.8224E+01 1.2624E+01 -1.0208E+01 H2 3459 1.008000 0.423800 -1.7974E+01 1.1574E+01 -8.9825E+00 O6 3460 15.999400 -0.847600 -2.3461E+00 -1.2519E+01 2.9202E+00 H1 3461 1.008000 0.423800 -3.1960E+00 -1.2571E+01 3.4445E+00 H2 3462 1.008000 0.423800 -2.5592E+00 -1.2461E+01 1.9449E+00 O6 3463 15.999400 -0.847600 1.1390E+01 1.1447E+01 5.7223E-01 H1 3464 1.008000 0.423800 1.0639E+01 1.0786E+01 5.9012E-01 H2 3465 1.008000 0.423800 1.1655E+01 1.1625E+01 -3.7548E-01 O6 3466 15.999400 -0.847600 -1.4242E+01 -1.0942E+01 -1.4373E+01 H1 3467 1.008000 0.423800 -1.3620E+01 -1.0159E+01 -1.4331E+01 H2 3468 1.008000 0.423800 -1.4783E+01 -1.0892E+01 -1.5213E+01 O6 3469 15.999400 -0.847600 2.5911E+00 -2.2892E+00 1.1828E+01 H1 3470 1.008000 0.423800 1.7577E+00 -2.8380E+00 1.1893E+01 H2 3471 1.008000 0.423800 2.7264E+00 -1.7855E+00 1.2681E+01 O6 3472 15.999400 -0.847600 -1.3368E+00 8.9483E+00 -2.4217E+00 H1 3473 1.008000 0.423800 -6.1273E-01 9.1714E+00 -1.7690E+00 H2 3474 1.008000 0.423800 -9.3676E-01 8.8047E+00 -3.3269E+00 O6 3475 15.999400 -0.847600 -1.4162E+00 5.9577E+00 -1.8902E+01 H1 3476 1.008000 0.423800 -2.0566E+00 5.2483E+00 -1.9197E+01 H2 3477 1.008000 0.423800 -1.2116E+00 6.5623E+00 1.9426E+01 O6 3478 15.999400 -0.847600 -1.5481E+01 -1.7112E+00 4.6068E+00 H1 3479 1.008000 0.423800 -1.6135E+01 -1.8668E+00 5.3478E+00 H2 3480 1.008000 0.423800 -1.4997E+01 -8.5072E-01 4.7646E+00 O6 3481 15.999400 -0.847600 -1.8773E+01 1.6002E+01 1.8100E+01 H1 3482 1.008000 0.423800 1.9353E+01 1.6217E+01 1.8200E+01 H2 3483 1.008000 0.423800 -1.8621E+01 1.5037E+01 1.8312E+01 O6 3484 15.999400 -0.847600 -1.2287E+01 -8.8980E+00 1.6015E+01 H1 3485 1.008000 0.423800 -1.2855E+01 -9.6583E+00 1.6330E+01 H2 3486 1.008000 0.423800 -1.2561E+01 -8.6386E+00 1.5089E+01 O6 3487 15.999400 -0.847600 -1.6784E+01 -1.8069E+01 -8.7698E+00 H1 3488 1.008000 0.423800 -1.5830E+01 -1.8342E+01 -8.8953E+00 H2 3489 1.008000 0.423800 -1.6921E+01 -1.7152E+01 -9.1444E+00 O6 3490 15.999400 -0.847600 -1.5502E+01 1.0082E+01 1.8676E+00 H1 3491 1.008000 0.423800 -1.5243E+01 9.3091E+00 1.2888E+00 H2 3492 1.008000 0.423800 -1.6419E+01 9.9311E+00 2.2352E+00 O6 3493 15.999400 -0.847600 1.7198E+01 -7.7924E+00 -5.2245E+00 H1 3494 1.008000 0.423800 1.7961E+01 -8.3448E+00 -4.8892E+00 H2 3495 1.008000 0.423800 1.6651E+01 -7.4745E+00 -4.4500E+00 O6 3496 15.999400 -0.847600 -1.7185E+01 1.3489E+01 1.2028E+01 H1 3497 1.008000 0.423800 -1.6320E+01 1.3006E+01 1.1892E+01 H2 3498 1.008000 0.423800 -1.7795E+01 1.2930E+01 1.2590E+01 O6 3499 15.999400 -0.847600 -1.3811E+01 1.6624E+01 -8.7307E+00 H1 3500 1.008000 0.423800 -1.4190E+01 1.6762E+01 -7.8160E+00 H2 3501 1.008000 0.423800 -1.4485E+01 1.6159E+01 -9.3046E+00 O6 3502 15.999400 -0.847600 -9.6088E+00 -1.2266E+01 -1.5997E+01 H1 3503 1.008000 0.423800 -8.7408E+00 -1.2197E+01 -1.5505E+01 H2 3504 1.008000 0.423800 -9.4483E+00 -1.2658E+01 -1.6903E+01 O6 3505 15.999400 -0.847600 8.9193E+00 -1.3314E+01 1.7490E+01 H1 3506 1.008000 0.423800 9.1934E+00 -1.2744E+01 1.6716E+01 H2 3507 1.008000 0.423800 9.6650E+00 -1.3354E+01 1.8156E+01 O6 3508 15.999400 -0.847600 -1.8454E+01 9.1561E+00 -2.8506E+00 H1 3509 1.008000 0.423800 -1.8932E+01 9.9773E+00 -3.1633E+00 H2 3510 1.008000 0.423800 -1.8179E+01 8.6090E+00 -3.6413E+00 O6 3511 15.999400 -0.847600 -6.6178E-01 -6.0886E+00 7.0726E+00 H1 3512 1.008000 0.423800 -1.2112E+00 -6.0053E+00 7.9039E+00 H2 3513 1.008000 0.423800 7.0631E-02 -6.7528E+00 7.2224E+00 O6 3514 15.999400 -0.847600 6.2795E+00 5.2372E+00 3.4498E+00 H1 3515 1.008000 0.423800 5.3759E+00 5.6097E+00 3.6613E+00 H2 3516 1.008000 0.423800 6.8435E+00 5.2420E+00 4.2756E+00 O6 3517 15.999400 -0.847600 1.0558E+01 -1.6381E-01 -1.4309E+01 H1 3518 1.008000 0.423800 1.1176E+01 -4.8938E-02 -1.5087E+01 H2 3519 1.008000 0.423800 1.0642E+01 6.2292E-01 -1.3697E+01 O6 3520 15.999400 -0.847600 1.8814E+01 3.1664E+00 1.0842E+01 H1 3521 1.008000 0.423800 1.8594E+01 3.1746E+00 9.8666E+00 H2 3522 1.008000 0.423800 1.8417E+01 2.3524E+00 1.1266E+01 O6 3523 15.999400 -0.847600 -2.9364E+00 4.0445E+00 1.9192E+01 H1 3524 1.008000 0.423800 -2.3056E+00 3.5465E+00 1.8597E+01 H2 3525 1.008000 0.423800 -3.8191E+00 4.1442E+00 1.8733E+01 O6 3526 15.999400 -0.847600 1.8893E+01 1.0092E+01 -1.0884E+01 H1 3527 1.008000 0.423800 1.8987E+01 9.1392E+00 -1.0596E+01 H2 3528 1.008000 0.423800 1.9333E+01 1.0688E+01 -1.0213E+01 O6 3529 15.999400 -0.847600 7.2902E+00 -3.7698E+00 1.8414E+01 H1 3530 1.008000 0.423800 6.7169E+00 -4.4907E+00 1.8025E+01 H2 3531 1.008000 0.423800 7.0214E+00 -2.8865E+00 1.8030E+01 O6 3532 15.999400 -0.847600 1.1218E+01 -8.9749E+00 1.3896E+01 H1 3533 1.008000 0.423800 1.0405E+01 -8.5318E+00 1.3519E+01 H2 3534 1.008000 0.423800 1.1157E+01 -9.9623E+00 1.3750E+01 O6 3535 15.999400 -0.847600 -8.9940E+00 8.4944E+00 1.5286E+01 H1 3536 1.008000 0.423800 -9.3658E+00 7.7244E+00 1.5805E+01 H2 3537 1.008000 0.423800 -9.3162E+00 8.4461E+00 1.4341E+01 O6 3538 15.999400 -0.847600 -5.5959E+00 -8.9106E+00 3.6642E+00 H1 3539 1.008000 0.423800 -6.0899E+00 -9.7437E+00 3.9127E+00 H2 3540 1.008000 0.423800 -6.1354E+00 -8.3874E+00 3.0044E+00 O6 3541 15.999400 -0.847600 1.6125E+01 4.8435E+00 -8.4927E-01 H1 3542 1.008000 0.423800 1.7086E+01 4.9267E+00 -5.8510E-01 H2 3543 1.008000 0.423800 1.5548E+01 5.2469E+00 -1.3916E-01 O6 3544 15.999400 -0.847600 -3.1871E+00 1.6052E+01 -1.3654E+01 H1 3545 1.008000 0.423800 -4.1151E+00 1.6112E+01 -1.4021E+01 H2 3546 1.008000 0.423800 -2.5307E+00 1.6313E+01 -1.4361E+01 O6 3547 15.999400 -0.847600 1.4114E+01 -1.6836E+01 3.3223E+00 H1 3548 1.008000 0.423800 1.3510E+01 -1.7628E+01 3.4168E+00 H2 3549 1.008000 0.423800 1.4576E+01 -1.6873E+01 2.4363E+00 O6 3550 15.999400 -0.847600 6.4325E-01 -5.7068E+00 9.8230E-02 H1 3551 1.008000 0.423800 6.7380E-01 -4.7772E+00 -2.6915E-01 H2 3552 1.008000 0.423800 9.4564E-01 -6.3524E+00 -6.0303E-01 O6 3553 15.999400 -0.847600 9.5110E-01 -1.9373E+01 1.7539E+01 H1 3554 1.008000 0.423800 1.2439E-01 -1.8840E+01 1.7358E+01 H2 3555 1.008000 0.423800 1.6567E+00 -1.9130E+01 1.6874E+01 O6 3556 15.999400 -0.847600 -3.4092E+00 1.8733E+01 5.6197E+00 H1 3557 1.008000 0.423800 -3.2635E+00 1.9086E+01 4.6951E+00 H2 3558 1.008000 0.423800 -2.6005E+00 1.8224E+01 5.9135E+00 O6 3559 15.999400 -0.847600 1.7830E+01 8.6185E-01 1.4483E+01 H1 3560 1.008000 0.423800 1.7284E+01 1.2826E+00 1.3759E+01 H2 3561 1.008000 0.423800 1.8174E+01 1.5726E+00 1.5096E+01 O6 3562 15.999400 -0.847600 -1.0783E+01 -1.7904E+00 -5.3782E+00 H1 3563 1.008000 0.423800 -1.0302E+01 -1.8301E+00 -4.5022E+00 H2 3564 1.008000 0.423800 -1.0525E+01 -9.5447E-01 -5.8624E+00 O6 3565 15.999400 -0.847600 -4.7415E+00 1.0507E+01 1.6957E+01 H1 3566 1.008000 0.423800 -5.4090E+00 1.0029E+01 1.6386E+01 H2 3567 1.008000 0.423800 -3.8925E+00 9.9801E+00 1.6990E+01 O6 3568 15.999400 -0.847600 4.2799E+00 8.7712E+00 -1.4189E+01 H1 3569 1.008000 0.423800 5.2323E+00 8.7160E+00 -1.4490E+01 H2 3570 1.008000 0.423800 4.1277E+00 8.1238E+00 -1.3443E+01 O6 3571 15.999400 -0.847600 -1.0165E+01 -3.9075E+00 -1.2301E+01 H1 3572 1.008000 0.423800 -9.5234E+00 -3.1721E+00 -1.2520E+01 H2 3573 1.008000 0.423800 -1.1101E+01 -3.5897E+00 -1.2453E+01 O6 3574 15.999400 -0.847600 -1.2172E+01 -6.3014E+00 -1.6047E+01 H1 3575 1.008000 0.423800 -1.1590E+01 -6.3840E+00 -1.5238E+01 H2 3576 1.008000 0.423800 -1.3104E+01 -6.0760E+00 -1.5766E+01 O6 3577 15.999400 -0.847600 -6.7957E+00 -1.0628E+01 9.1822E+00 H1 3578 1.008000 0.423800 -7.0284E+00 -1.1444E+01 8.6527E+00 H2 3579 1.008000 0.423800 -7.5061E+00 -1.0460E+01 9.8657E+00 O6 3580 15.999400 -0.847600 -3.1622E+00 8.2266E+00 -5.8386E-01 H1 3581 1.008000 0.423800 -2.5402E+00 8.6269E+00 -1.2569E+00 H2 3582 1.008000 0.423800 -3.8236E+00 8.9166E+00 -2.8964E-01 O6 3583 15.999400 -0.847600 -1.1885E+01 6.0328E+00 -1.5815E+01 H1 3584 1.008000 0.423800 -1.2463E+01 6.7532E+00 -1.5431E+01 H2 3585 1.008000 0.423800 -1.2000E+01 5.1942E+00 -1.5283E+01 O6 3586 15.999400 -0.847600 -3.8961E+00 4.0555E+00 -6.8808E+00 H1 3587 1.008000 0.423800 -3.9092E+00 3.1302E+00 -7.2599E+00 H2 3588 1.008000 0.423800 -4.0011E+00 4.0101E+00 -5.8874E+00 O6 3589 15.999400 -0.847600 8.6678E+00 1.1901E+00 1.0858E+01 H1 3590 1.008000 0.423800 7.9950E+00 9.1940E-01 1.1546E+01 H2 3591 1.008000 0.423800 8.2855E+00 1.0490E+00 9.9446E+00 O6 3592 15.999400 -0.847600 1.8028E+01 -4.8092E+00 1.8999E+01 H1 3593 1.008000 0.423800 1.7261E+01 -5.3734E+00 1.8695E+01 H2 3594 1.008000 0.423800 1.7953E+01 -3.8978E+00 1.8594E+01 O6 3595 15.999400 -0.847600 -9.5023E+00 -1.4266E+01 1.2401E+00 H1 3596 1.008000 0.423800 -9.2986E+00 -1.4020E+01 2.9229E-01 H2 3597 1.008000 0.423800 -9.1683E+00 -1.3547E+01 1.8496E+00 O6 3598 15.999400 -0.847600 -1.1490E+01 1.1021E+01 -1.0557E+01 H1 3599 1.008000 0.423800 -1.1659E+01 1.1476E+01 -1.1431E+01 H2 3600 1.008000 0.423800 -1.2361E+01 1.0748E+01 -1.0150E+01 O6 3601 15.999400 -0.847600 1.3655E+01 7.1432E+00 3.5809E+00 H1 3602 1.008000 0.423800 1.2880E+01 7.6352E+00 3.1851E+00 H2 3603 1.008000 0.423800 1.3450E+01 6.9068E+00 4.5307E+00 O6 3604 15.999400 -0.847600 1.7776E+01 -1.8885E+01 -1.2859E+01 H1 3605 1.008000 0.423800 1.8130E+01 -1.8066E+01 -1.3310E+01 H2 3606 1.008000 0.423800 1.7188E+01 -1.8617E+01 -1.2096E+01 O6 3607 15.999400 -0.847600 1.0095E+01 -1.0137E+01 -1.4841E+01 H1 3608 1.008000 0.423800 9.5300E+00 -1.0686E+01 -1.4225E+01 H2 3609 1.008000 0.423800 9.5147E+00 -9.7137E+00 -1.5537E+01 O6 3610 15.999400 -0.847600 1.7386E+01 9.3431E+00 5.6056E+00 H1 3611 1.008000 0.423800 1.7596E+01 1.0315E+01 5.7063E+00 H2 3612 1.008000 0.423800 1.6763E+01 9.2153E+00 4.8332E+00 O6 3613 15.999400 -0.847600 -1.1635E+01 6.2273E+00 2.6787E+00 H1 3614 1.008000 0.423800 -1.1979E+01 5.4093E+00 2.2175E+00 H2 3615 1.008000 0.423800 -1.0643E+01 6.2815E+00 2.5651E+00 O6 3616 15.999400 -0.847600 -8.5374E+00 1.4017E+01 -6.4201E+00 H1 3617 1.008000 0.423800 -8.4883E+00 1.3183E+01 -6.9702E+00 H2 3618 1.008000 0.423800 -8.6492E+00 1.3774E+01 -5.4565E+00 O6 3619 15.999400 -0.847600 -8.4413E-01 -1.6998E+01 -6.9227E+00 H1 3620 1.008000 0.423800 -1.2535E-01 -1.6648E+01 -6.3223E+00 H2 3621 1.008000 0.423800 -1.0336E+00 -1.6329E+01 -7.6414E+00 O6 3622 15.999400 -0.847600 -1.6581E+01 -1.0315E+01 1.3677E+01 H1 3623 1.008000 0.423800 -1.6367E+01 -1.1268E+01 1.3461E+01 H2 3624 1.008000 0.423800 -1.5942E+01 -9.7137E+00 1.3198E+01 O6 3625 15.999400 -0.847600 1.2463E+00 -1.2805E+01 -1.6552E+01 H1 3626 1.008000 0.423800 2.1989E+00 -1.2607E+01 -1.6783E+01 H2 3627 1.008000 0.423800 6.4817E-01 -1.2150E+01 -1.7014E+01 O6 3628 15.999400 -0.847600 -1.5243E+01 1.2719E+01 -1.3413E+01 H1 3629 1.008000 0.423800 -1.5561E+01 1.2179E+01 -1.4192E+01 H2 3630 1.008000 0.423800 -1.5967E+01 1.2772E+01 -1.2726E+01 O6 3631 15.999400 -0.847600 1.1936E+01 -4.4981E+00 1.2483E+01 H1 3632 1.008000 0.423800 1.2032E+01 -4.8920E+00 1.1569E+01 H2 3633 1.008000 0.423800 1.1968E+01 -3.5006E+00 1.2421E+01 O6 3634 15.999400 -0.847600 -1.4371E+01 1.6242E+01 1.4656E+01 H1 3635 1.008000 0.423800 -1.3991E+01 1.6748E+01 1.5431E+01 H2 3636 1.008000 0.423800 -1.4932E+01 1.6854E+01 1.4100E+01 O6 3637 15.999400 -0.847600 5.0393E+00 -7.3120E+00 -1.8719E+01 H1 3638 1.008000 0.423800 5.9264E+00 -7.1989E+00 -1.8272E+01 H2 3639 1.008000 0.423800 4.3377E+00 -6.8295E+00 -1.8195E+01 O6 3640 15.999400 -0.847600 5.5494E+00 6.9325E-01 6.6128E+00 H1 3641 1.008000 0.423800 5.1075E+00 1.5772E+00 6.7660E+00 H2 3642 1.008000 0.423800 6.2314E+00 7.8295E-01 5.8870E+00 O6 3643 15.999400 -0.847600 9.4541E+00 9.7685E+00 -6.5400E+00 H1 3644 1.008000 0.423800 1.0330E+01 9.5208E+00 -6.9547E+00 H2 3645 1.008000 0.423800 9.0095E+00 1.0472E+01 -7.0950E+00 O6 3646 15.999400 -0.847600 1.2804E+01 -6.8429E+00 6.2466E+00 H1 3647 1.008000 0.423800 1.3203E+01 -7.6885E+00 6.6007E+00 H2 3648 1.008000 0.423800 1.1807E+01 -6.8912E+00 6.3144E+00 O6 3649 15.999400 -0.847600 -1.8853E+01 1.8104E+01 -1.2459E+00 H1 3650 1.008000 0.423800 1.9380E+01 1.8464E+01 -8.9816E-01 H2 3651 1.008000 0.423800 -1.8542E+01 1.8665E+01 -2.0128E+00 O6 3652 15.999400 -0.847600 -9.0518E+00 1.5052E+01 1.8790E+01 H1 3653 1.008000 0.423800 -8.2976E+00 1.5494E+01 1.8304E+01 H2 3654 1.008000 0.423800 -8.9111E+00 1.4062E+01 1.8793E+01 O6 3655 15.999400 -0.847600 -1.8174E+00 1.8955E+01 -1.6002E+01 H1 3656 1.008000 0.423800 -2.4108E+00 -1.9493E+01 -1.5527E+01 H2 3657 1.008000 0.423800 -1.4598E+00 1.9378E+01 -1.6834E+01 O6 3658 15.999400 -0.847600 1.2932E+01 -1.4340E+01 2.4502E+00 H1 3659 1.008000 0.423800 1.3224E+01 -1.5003E+01 3.1395E+00 H2 3660 1.008000 0.423800 1.2194E+01 -1.3777E+01 2.8210E+00 O6 3661 15.999400 -0.847600 1.2606E+01 -1.6419E+01 1.2831E+01 H1 3662 1.008000 0.423800 1.2259E+01 -1.7309E+01 1.3126E+01 H2 3663 1.008000 0.423800 1.2217E+01 -1.6188E+01 1.1939E+01 O6 3664 15.999400 -0.847600 -6.0532E+00 1.3218E+01 -4.1674E+00 H1 3665 1.008000 0.423800 -5.6169E+00 1.2432E+01 -3.7295E+00 H2 3666 1.008000 0.423800 -5.5781E+00 1.4055E+01 -3.8981E+00 O6 3667 15.999400 -0.847600 -1.8901E+01 -9.9985E+00 -1.8051E+01 H1 3668 1.008000 0.423800 -1.8261E+01 -9.9199E+00 -1.8815E+01 H2 3669 1.008000 0.423800 1.9469E+01 -9.3194E+00 -1.8154E+01 O6 3670 15.999400 -0.847600 2.3655E+00 8.8746E+00 1.7057E+01 H1 3671 1.008000 0.423800 3.3480E+00 8.6885E+00 1.7057E+01 H2 3672 1.008000 0.423800 2.1779E+00 9.6756E+00 1.6488E+01 O6 3673 15.999400 -0.847600 1.1035E+01 1.5887E+01 1.0930E+01 H1 3674 1.008000 0.423800 1.0255E+01 1.6508E+01 1.0850E+01 H2 3675 1.008000 0.423800 1.0947E+01 1.5153E+01 1.0258E+01 O6 3676 15.999400 -0.847600 1.6495E+01 7.8166E+00 7.7234E+00 H1 3677 1.008000 0.423800 1.6078E+01 6.9757E+00 7.3789E+00 H2 3678 1.008000 0.423800 1.6658E+01 8.4440E+00 6.9620E+00 O6 3679 15.999400 -0.847600 -1.0405E+01 -1.2937E+01 -7.6129E+00 H1 3680 1.008000 0.423800 -1.0475E+01 -1.3875E+01 -7.9534E+00 H2 3681 1.008000 0.423800 -1.0840E+01 -1.2314E+01 -8.2624E+00 O6 3682 15.999400 -0.847600 -1.5906E+01 -6.7242E+00 1.5255E+01 H1 3683 1.008000 0.423800 -1.6613E+01 -6.6566E+00 1.5960E+01 H2 3684 1.008000 0.423800 -1.6153E+01 -7.4421E+00 1.4604E+01 O6 3685 15.999400 -0.847600 -1.5183E+01 1.0166E+00 -5.7622E+00 H1 3686 1.008000 0.423800 -1.4346E+01 1.0910E+00 -6.3054E+00 H2 3687 1.008000 0.423800 -1.5288E+01 7.5885E-02 -5.4398E+00 O6 3688 15.999400 -0.847600 1.7516E+00 4.6382E+00 5.0692E+00 H1 3689 1.008000 0.423800 2.5636E+00 5.2112E+00 5.1806E+00 H2 3690 1.008000 0.423800 1.2098E+00 4.6612E+00 5.9093E+00 O6 3691 15.999400 -0.847600 1.7257E+01 1.1729E+01 1.2667E+01 H1 3692 1.008000 0.423800 1.6447E+01 1.1893E+01 1.2103E+01 H2 3693 1.008000 0.423800 1.7581E+01 1.0794E+01 1.2521E+01 O6 3694 15.999400 -0.847600 1.7871E+00 -9.9903E+00 -1.1577E+01 H1 3695 1.008000 0.423800 2.2303E+00 -1.0641E+01 -1.2193E+01 H2 3696 1.008000 0.423800 1.9632E+00 -9.0584E+00 -1.1894E+01 O6 3697 15.999400 -0.847600 9.3749E+00 -4.9348E+00 9.4424E+00 H1 3698 1.008000 0.423800 9.1118E+00 -3.9719E+00 9.3822E+00 H2 3699 1.008000 0.423800 1.0274E+01 -5.0082E+00 9.8732E+00 O6 3700 15.999400 -0.847600 -1.4111E+01 3.2475E+00 -2.2538E+00 H1 3701 1.008000 0.423800 -1.3757E+01 2.3122E+00 -2.2686E+00 H2 3702 1.008000 0.423800 -1.3437E+01 3.8520E+00 -1.8288E+00 O6 3703 15.999400 -0.847600 -1.1391E+01 -9.0861E+00 6.7348E+00 H1 3704 1.008000 0.423800 -1.1135E+01 -9.5397E+00 7.5884E+00 H2 3705 1.008000 0.423800 -1.0633E+01 -9.1453E+00 6.0853E+00 O6 3706 15.999400 -0.847600 -1.8627E+01 -1.6929E+01 -1.8361E+01 H1 3707 1.008000 0.423800 -1.8440E+01 -1.7810E+01 -1.8795E+01 H2 3708 1.008000 0.423800 -1.9174E+01 -1.6363E+01 -1.8978E+01 O6 3709 15.999400 -0.847600 -1.5621E+01 1.2008E+01 8.5142E+00 H1 3710 1.008000 0.423800 -1.5937E+01 1.1105E+01 8.2235E+00 H2 3711 1.008000 0.423800 -1.4892E+01 1.1904E+01 9.1913E+00 O6 3712 15.999400 -0.847600 2.0439E+00 1.6301E+01 1.5751E+01 H1 3713 1.008000 0.423800 2.7460E+00 1.6635E+01 1.5123E+01 H2 3714 1.008000 0.423800 2.2261E+00 1.6649E+01 1.6671E+01 O6 3715 15.999400 -0.847600 -9.6815E+00 -1.9419E+01 1.0027E+01 H1 3716 1.008000 0.423800 -1.0381E+01 -1.9457E+01 1.0740E+01 H2 3717 1.008000 0.423800 -9.1201E+00 -1.8602E+01 1.0154E+01 O6 3718 15.999400 -0.847600 2.4893E+00 -1.9033E+01 1.0483E+01 H1 3719 1.008000 0.423800 1.8225E+00 -1.8477E+01 9.9860E+00 H2 3720 1.008000 0.423800 2.2644E+00 -1.9031E+01 1.1457E+01 O6 3721 15.999400 -0.847600 1.3913E+01 -1.5778E+01 -2.4455E+00 H1 3722 1.008000 0.423800 1.4147E+01 -1.4835E+01 -2.2102E+00 H2 3723 1.008000 0.423800 1.4518E+01 -1.6099E+01 -3.1743E+00 O6 3724 15.999400 -0.847600 3.4136E-01 -3.3015E+00 -1.2072E+00 H1 3725 1.008000 0.423800 2.2167E-01 -3.8683E+00 -2.0222E+00 H2 3726 1.008000 0.423800 1.1034E-01 -2.3530E+00 -1.4240E+00 O6 3727 15.999400 -0.847600 4.5568E-01 1.6963E+01 -1.2054E+01 H1 3728 1.008000 0.423800 1.2418E+00 1.7346E+01 -1.1569E+01 H2 3729 1.008000 0.423800 9.1065E-02 1.7645E+01 -1.2688E+01 O6 3730 15.999400 -0.847600 -9.8665E-01 -7.9868E-01 -1.7186E+01 H1 3731 1.008000 0.423800 -5.9869E-01 1.0772E-01 -1.7019E+01 H2 3732 1.008000 0.423800 -1.7428E+00 -9.5972E-01 -1.6552E+01 O6 3733 15.999400 -0.847600 -4.7196E+00 1.2479E+01 1.2810E+01 H1 3734 1.008000 0.423800 -5.3879E+00 1.1736E+01 1.2788E+01 H2 3735 1.008000 0.423800 -4.2043E+00 1.2490E+01 1.1953E+01 O6 3736 15.999400 -0.847600 1.3418E+01 1.2515E+01 1.2756E+01 H1 3737 1.008000 0.423800 1.2621E+01 1.3078E+01 1.2975E+01 H2 3738 1.008000 0.423800 1.3885E+01 1.2894E+01 1.1957E+01 O6 3739 15.999400 -0.847600 3.1882E+00 -6.0920E-01 3.3790E+00 H1 3740 1.008000 0.423800 3.0431E+00 1.7987E-01 3.9759E+00 H2 3741 1.008000 0.423800 3.7219E+00 -3.2957E-01 2.5809E+00 O6 3742 15.999400 -0.847600 1.1433E+01 -1.5671E+01 4.8280E-01 H1 3743 1.008000 0.423800 1.0743E+01 -1.5002E+01 2.0649E-01 H2 3744 1.008000 0.423800 1.1955E+01 -1.5310E+01 1.2560E+00 O6 3745 15.999400 -0.847600 -1.1592E+01 -1.0835E+01 9.5929E+00 H1 3746 1.008000 0.423800 -1.1695E+01 -1.0219E+01 1.0374E+01 H2 3747 1.008000 0.423800 -1.1015E+01 -1.1609E+01 9.8527E+00 O6 3748 15.999400 -0.847600 6.1845E+00 1.8429E+01 -9.4090E+00 H1 3749 1.008000 0.423800 6.4946E+00 1.7480E+01 -9.4722E+00 H2 3750 1.008000 0.423800 6.1735E+00 1.8837E+01 -1.0322E+01 O6 3751 15.999400 -0.847600 5.7629E-01 -1.7389E+01 5.8080E+00 H1 3752 1.008000 0.423800 4.2587E-01 -1.7670E+01 4.8602E+00 H2 3753 1.008000 0.423800 9.5541E-02 -1.6529E+01 5.9807E+00 O6 3754 15.999400 -0.847600 8.3875E+00 -4.1553E+00 -1.7744E+01 H1 3755 1.008000 0.423800 7.9021E+00 -3.9023E+00 -1.8581E+01 H2 3756 1.008000 0.423800 8.1390E+00 -3.5228E+00 -1.7010E+01 O6 3757 15.999400 -0.847600 -1.4494E+01 -1.7601E+01 1.5880E+01 H1 3758 1.008000 0.423800 -1.5171E+01 -1.8264E+01 1.5561E+01 H2 3759 1.008000 0.423800 -1.3588E+01 -1.8025E+01 1.5882E+01 O6 3760 15.999400 -0.847600 -1.4373E+01 -1.0027E+01 -4.6329E+00 H1 3761 1.008000 0.423800 -1.4635E+01 -9.6470E+00 -3.7458E+00 H2 3762 1.008000 0.423800 -1.4043E+01 -9.2925E+00 -5.2260E+00 O6 3763 15.999400 -0.847600 -1.0416E+01 -1.5661E+01 -7.9622E+00 H1 3764 1.008000 0.423800 -1.1091E+01 -1.6370E+01 -7.7572E+00 H2 3765 1.008000 0.423800 -9.6434E+00 -1.6067E+01 -8.4505E+00 O6 3766 15.999400 -0.847600 1.4474E+01 -6.5309E-01 -4.3354E+00 H1 3767 1.008000 0.423800 1.3569E+01 -4.1085E-01 -3.9844E+00 H2 3768 1.008000 0.423800 1.5157E+01 -5.1757E-01 -3.6178E+00 O6 3769 15.999400 -0.847600 -1.4689E+00 1.4518E+01 -1.0431E+00 H1 3770 1.008000 0.423800 -1.5490E+00 1.3887E+01 -2.7144E-01 H2 3771 1.008000 0.423800 -2.1338E+00 1.4269E+01 -1.7473E+00 O6 3772 15.999400 -0.847600 -7.8589E+00 -6.8357E+00 -1.5987E+01 H1 3773 1.008000 0.423800 -8.6258E+00 -6.6902E+00 -1.5362E+01 H2 3774 1.008000 0.423800 -7.7040E+00 -7.8170E+00 -1.6101E+01 O6 3775 15.999400 -0.847600 -1.3228E+01 1.3433E+01 -1.1920E+01 H1 3776 1.008000 0.423800 -1.3659E+01 1.3687E+01 -1.1054E+01 H2 3777 1.008000 0.423800 -1.3898E+01 1.2977E+01 -1.2505E+01 O6 3778 15.999400 -0.847600 -3.0505E+00 -8.9074E+00 -1.7338E+01 H1 3779 1.008000 0.423800 -2.8364E+00 -9.8827E+00 -1.7283E+01 H2 3780 1.008000 0.423800 -3.8889E+00 -8.7794E+00 -1.7868E+01 O6 3781 15.999400 -0.847600 -3.4221E+00 -1.7010E+01 -1.6797E+01 H1 3782 1.008000 0.423800 -3.6657E+00 -1.7461E+01 -1.5938E+01 H2 3783 1.008000 0.423800 -4.1240E+00 -1.7199E+01 -1.7483E+01 O6 3784 15.999400 -0.847600 -7.5809E+00 -3.7536E+00 -8.7649E+00 H1 3785 1.008000 0.423800 -7.9606E+00 -2.9159E+00 -9.1576E+00 H2 3786 1.008000 0.423800 -7.6572E+00 -4.4973E+00 -9.4290E+00 O6 3787 15.999400 -0.847600 1.4299E+01 1.0129E+01 -1.6743E+00 H1 3788 1.008000 0.423800 1.5187E+01 1.0579E+01 -1.5811E+00 H2 3789 1.008000 0.423800 1.3595E+01 1.0815E+01 -1.8625E+00 O6 3790 15.999400 -0.847600 -6.1150E+00 1.1901E+01 1.9297E+01 H1 3791 1.008000 0.423800 -6.6300E+00 1.1168E+01 1.8854E+01 H2 3792 1.008000 0.423800 -5.3723E+00 1.2197E+01 1.8697E+01 O6 3793 15.999400 -0.847600 -6.0896E+00 -1.4207E+01 1.5015E+01 H1 3794 1.008000 0.423800 -6.5307E+00 -1.3853E+01 1.5840E+01 H2 3795 1.008000 0.423800 -5.3299E+00 -1.3608E+01 1.4761E+01 O6 3796 15.999400 -0.847600 2.8822E+00 7.5833E-01 1.7910E+01 H1 3797 1.008000 0.423800 2.9607E+00 6.5536E-01 1.8901E+01 H2 3798 1.008000 0.423800 3.7752E+00 9.9613E-01 1.7528E+01 O6 3799 15.999400 -0.847600 1.0324E+01 1.1121E+01 1.3722E+01 H1 3800 1.008000 0.423800 1.1210E+01 1.0666E+01 1.3807E+01 H2 3801 1.008000 0.423800 1.0446E+01 1.2004E+01 1.3267E+01 O6 3802 15.999400 -0.847600 8.9580E+00 -1.1747E+01 1.5048E+01 H1 3803 1.008000 0.423800 8.8461E+00 -1.0955E+01 1.5647E+01 H2 3804 1.008000 0.423800 9.8491E+00 -1.1701E+01 1.4597E+01 O6 3805 15.999400 -0.847600 9.1415E-01 -1.4961E+00 2.3445E+00 H1 3806 1.008000 0.423800 9.6206E-01 -1.5527E+00 1.3473E+00 H2 3807 1.008000 0.423800 1.7844E+00 -1.1565E+00 2.7012E+00 O6 3808 15.999400 -0.847600 -8.7399E+00 -1.4841E+01 -1.4288E+01 H1 3809 1.008000 0.423800 -9.5877E+00 -1.4970E+01 -1.4803E+01 H2 3810 1.008000 0.423800 -8.7162E+00 -1.3915E+01 -1.3911E+01 O6 3811 15.999400 -0.847600 -5.0800E-01 1.8624E+01 -4.6263E+00 H1 3812 1.008000 0.423800 -1.2521E+00 1.9064E+01 -5.1289E+00 H2 3813 1.008000 0.423800 -8.8689E-01 1.7947E+01 -3.9947E+00 O6 3814 15.999400 -0.847600 -1.3244E+01 -1.1772E+01 1.4863E+00 H1 3815 1.008000 0.423800 -1.2598E+01 -1.1535E+01 7.6054E-01 H2 3816 1.008000 0.423800 -1.3058E+01 -1.1212E+01 2.2939E+00 O6 3817 15.999400 -0.847600 -8.4305E+00 1.4182E+01 1.5011E+01 H1 3818 1.008000 0.423800 -8.5706E+00 1.5162E+01 1.4867E+01 H2 3819 1.008000 0.423800 -9.3110E+00 1.3742E+01 1.5187E+01 O6 3820 15.999400 -0.847600 -1.4966E+01 5.7849E+00 8.7212E+00 H1 3821 1.008000 0.423800 -1.5834E+01 5.9970E+00 8.2736E+00 H2 3822 1.008000 0.423800 -1.4739E+01 6.5113E+00 9.3701E+00 O6 3823 15.999400 -0.847600 1.7063E+01 -8.9346E+00 1.0735E+01 H1 3824 1.008000 0.423800 1.6607E+01 -9.8221E+00 1.0801E+01 H2 3825 1.008000 0.423800 1.7998E+01 -9.0128E+00 1.1082E+01 O6 3826 15.999400 -0.847600 1.1702E+00 8.9413E+00 2.1893E+00 H1 3827 1.008000 0.423800 9.1090E-01 8.0127E+00 2.4547E+00 H2 3828 1.008000 0.423800 2.1127E+00 9.1181E+00 2.4729E+00 O6 3829 15.999400 -0.847600 -7.6489E+00 7.7092E+00 3.4115E+00 H1 3830 1.008000 0.423800 -7.1081E+00 8.1198E+00 2.6773E+00 H2 3831 1.008000 0.423800 -8.3367E+00 7.0994E+00 3.0178E+00 O6 3832 15.999400 -0.847600 -1.3567E+01 2.9896E+00 -1.7103E+01 H1 3833 1.008000 0.423800 -1.3065E+01 3.1795E+00 -1.6260E+01 H2 3834 1.008000 0.423800 -1.3007E+01 3.2514E+00 -1.7890E+01 O6 3835 15.999400 -0.847600 4.6404E+00 -6.4156E+00 -8.9942E+00 H1 3836 1.008000 0.423800 5.4451E+00 -5.9204E+00 -8.6666E+00 H2 3837 1.008000 0.423800 4.5778E+00 -6.3291E+00 -9.9885E+00 O6 3838 15.999400 -0.847600 1.3878E+01 8.3240E+00 -1.7594E+01 H1 3839 1.008000 0.423800 1.3475E+01 7.4843E+00 -1.7230E+01 H2 3840 1.008000 0.423800 1.3270E+01 9.0949E+00 -1.7404E+01 O6 3841 15.999400 -0.847600 -1.7836E+01 2.5521E+00 9.9302E+00 H1 3842 1.008000 0.423800 -1.7891E+01 2.4195E+00 8.9405E+00 H2 3843 1.008000 0.423800 -1.8742E+01 2.7783E+00 1.0287E+01 O6 3844 15.999400 -0.847600 8.0844E+00 1.7799E+01 -6.5527E+00 H1 3845 1.008000 0.423800 7.6687E+00 1.7114E+01 -5.9541E+00 H2 3846 1.008000 0.423800 9.0217E+00 1.7978E+01 -6.2537E+00 O6 3847 15.999400 -0.847600 1.8860E+01 -5.8631E+00 7.1400E-01 H1 3848 1.008000 0.423800 1.8898E+01 -5.7415E+00 1.7058E+00 H2 3849 1.008000 0.423800 1.8961E+01 -6.8332E+00 4.9300E-01 O6 3850 15.999400 -0.847600 -1.3587E-02 1.3753E+01 -1.0015E+01 H1 3851 1.008000 0.423800 1.6445E-03 1.3737E+01 -1.1015E+01 H2 3852 1.008000 0.423800 1.2352E-01 1.4690E+01 -9.6945E+00 O6 3853 15.999400 -0.847600 -1.2262E+01 -1.3863E+01 1.2734E+01 H1 3854 1.008000 0.423800 -1.1320E+01 -1.3527E+01 1.2714E+01 H2 3855 1.008000 0.423800 -1.2844E+01 -1.3256E+01 1.2193E+01 O6 3856 15.999400 -0.847600 -1.3398E+01 4.1126E+00 7.2362E+00 H1 3857 1.008000 0.423800 -1.2718E+01 4.7105E+00 6.8108E+00 H2 3858 1.008000 0.423800 -1.4021E+01 4.6604E+00 7.7945E+00 O6 3859 15.999400 -0.847600 6.8491E+00 8.1787E-01 1.2696E+01 H1 3860 1.008000 0.423800 6.9644E+00 1.2501E+00 1.3591E+01 H2 3861 1.008000 0.423800 5.8991E+00 9.1427E-01 1.2400E+01 O6 3862 15.999400 -0.847600 1.2093E+01 -1.8375E+01 1.9159E+01 H1 3863 1.008000 0.423800 1.2272E+01 -1.9058E+01 -1.9231E+01 H2 3864 1.008000 0.423800 1.1740E+01 -1.8827E+01 1.8340E+01 O6 3865 15.999400 -0.847600 -1.0325E+01 -1.0167E+01 -1.3755E+01 H1 3866 1.008000 0.423800 -1.0358E+01 -1.1093E+01 -1.3378E+01 H2 3867 1.008000 0.423800 -9.6791E+00 -1.0141E+01 -1.4518E+01 O6 3868 15.999400 -0.847600 6.6495E+00 -8.9701E+00 -9.0485E+00 H1 3869 1.008000 0.423800 6.9528E+00 -8.1667E+00 -9.5610E+00 H2 3870 1.008000 0.423800 5.9671E+00 -9.4684E+00 -9.5833E+00 O6 3871 15.999400 -0.847600 1.2186E+01 1.9339E+01 -1.8380E+00 H1 3872 1.008000 0.423800 1.1522E+01 1.8778E+01 -1.3444E+00 H2 3873 1.008000 0.423800 1.2490E+01 -1.9008E+01 -1.2513E+00 O6 3874 15.999400 -0.847600 -1.9531E+01 -9.4754E-01 -8.2495E+00 H1 3875 1.008000 0.423800 -1.8670E+01 -4.7617E-01 -8.0570E+00 H2 3876 1.008000 0.423800 -1.9379E+01 -1.6477E+00 -8.9470E+00 O6 3877 15.999400 -0.847600 8.6646E+00 6.3447E+00 9.5968E+00 H1 3878 1.008000 0.423800 8.1992E+00 6.6083E+00 1.0442E+01 H2 3879 1.008000 0.423800 9.3786E+00 5.6761E+00 9.8042E+00 O6 3880 15.999400 -0.847600 1.8829E+01 9.6848E+00 -5.8296E+00 H1 3881 1.008000 0.423800 1.9389E+01 1.0510E+01 -5.7501E+00 H2 3882 1.008000 0.423800 1.8106E+01 9.7047E+00 -5.1391E+00 O6 3883 15.999400 -0.847600 -8.1740E-01 -8.7440E-02 3.8068E-01 H1 3884 1.008000 0.423800 -1.4251E+00 -8.7135E-01 5.0821E-01 H2 3885 1.008000 0.423800 -1.0977E+00 6.5412E-01 9.9018E-01 O6 3886 15.999400 -0.847600 -7.1464E+00 1.7086E+01 -1.0519E+01 H1 3887 1.008000 0.423800 -6.5366E+00 1.6295E+01 -1.0467E+01 H2 3888 1.008000 0.423800 -6.6296E+00 1.7885E+01 -1.0825E+01 O6 3889 15.999400 -0.847600 -8.9252E+00 4.9702E+00 -1.0777E+01 H1 3890 1.008000 0.423800 -9.3207E+00 4.9971E+00 -9.8593E+00 H2 3891 1.008000 0.423800 -8.2851E+00 5.7307E+00 -1.0887E+01 O6 3892 15.999400 -0.847600 4.2315E+00 -9.2303E+00 1.0129E+01 H1 3893 1.008000 0.423800 5.0519E+00 -9.1600E+00 9.5618E+00 H2 3894 1.008000 0.423800 4.4818E+00 -9.1237E+00 1.1091E+01 O6 3895 15.999400 -0.847600 1.5276E+01 5.4310E-04 -1.2733E+01 H1 3896 1.008000 0.423800 1.4554E+01 6.9150E-01 -1.2775E+01 H2 3897 1.008000 0.423800 1.4865E+01 -9.1111E-01 -1.2735E+01 O6 3898 15.999400 -0.847600 1.5400E+01 9.0044E+00 -1.2738E+01 H1 3899 1.008000 0.423800 1.4668E+01 8.3482E+00 -1.2919E+01 H2 3900 1.008000 0.423800 1.5094E+01 9.9232E+00 -1.2986E+01 O6 3901 15.999400 -0.847600 2.8665E+00 -2.8171E+00 -2.1860E-01 H1 3902 1.008000 0.423800 3.5281E+00 -3.4112E+00 -6.7624E-01 H2 3903 1.008000 0.423800 1.9413E+00 -3.1582E+00 -3.8504E-01 O6 3904 15.999400 -0.847600 -1.5619E+01 1.5711E+01 1.8163E+01 H1 3905 1.008000 0.423800 -1.5873E+01 1.6678E+01 1.8191E+01 H2 3906 1.008000 0.423800 -1.6260E+01 1.5215E+01 1.7576E+01 O6 3907 15.999400 -0.847600 -1.9417E+01 1.4104E+01 6.1223E+00 H1 3908 1.008000 0.423800 -1.8737E+01 1.4492E+01 5.5002E+00 H2 3909 1.008000 0.423800 -1.8994E+01 1.3929E+01 7.0112E+00 O6 3910 15.999400 -0.847600 7.5572E+00 -1.5415E+01 -8.0898E+00 H1 3911 1.008000 0.423800 8.0225E+00 -1.5944E+01 -7.3802E+00 H2 3912 1.008000 0.423800 6.5735E+00 -1.5409E+01 -7.9099E+00 O6 3913 15.999400 -0.847600 5.4917E-01 -1.3363E+01 2.1896E+00 H1 3914 1.008000 0.423800 8.6200E-01 -1.4313E+01 2.2117E+00 H2 3915 1.008000 0.423800 3.7598E-01 -1.3047E+01 3.1225E+00 O6 3916 15.999400 -0.847600 2.7128E+00 3.8280E+00 1.3231E+01 H1 3917 1.008000 0.423800 3.1016E+00 4.7260E+00 1.3437E+01 H2 3918 1.008000 0.423800 2.0312E+00 3.9187E+00 1.2504E+01 O6 3919 15.999400 -0.847600 -8.5005E+00 -8.5511E+00 -9.5277E+00 H1 3920 1.008000 0.423800 -9.4390E+00 -8.4255E+00 -9.8495E+00 H2 3921 1.008000 0.423800 -8.4903E+00 -8.5668E+00 -8.5279E+00 O6 3922 15.999400 -0.847600 1.6686E+01 -4.6278E+00 -1.0158E+01 H1 3923 1.008000 0.423800 1.7602E+01 -4.5298E+00 -1.0545E+01 H2 3924 1.008000 0.423800 1.6088E+01 -5.0711E+00 -1.0825E+01 O6 3925 15.999400 -0.847600 -3.5442E+00 4.5093E-01 6.2309E+00 H1 3926 1.008000 0.423800 -4.4237E+00 8.5793E-01 5.9842E+00 H2 3927 1.008000 0.423800 -3.3677E+00 6.0283E-01 7.2034E+00 O6 3928 15.999400 -0.847600 1.6828E+01 -2.0924E+00 -4.2039E-01 H1 3929 1.008000 0.423800 1.7008E+01 -1.5664E+00 4.1089E-01 H2 3930 1.008000 0.423800 1.6446E+01 -1.4891E+00 -1.1204E+00 O6 3931 15.999400 -0.847600 5.7911E+00 7.3816E+00 -2.8126E+00 H1 3932 1.008000 0.423800 5.5891E+00 7.6616E+00 -1.8741E+00 H2 3933 1.008000 0.423800 5.7061E+00 8.1705E+00 -3.4213E+00 O6 3934 15.999400 -0.847600 -1.4669E+01 -1.7299E+00 -1.1524E+01 H1 3935 1.008000 0.423800 -1.4199E+01 -8.7241E-01 -1.1315E+01 H2 3936 1.008000 0.423800 -1.5221E+01 -1.6142E+00 -1.2350E+01 O6 3937 15.999400 -0.847600 -4.7845E+00 -5.8481E+00 1.4650E+01 H1 3938 1.008000 0.423800 -4.1948E+00 -6.3411E+00 1.5290E+01 H2 3939 1.008000 0.423800 -5.6442E+00 -5.6125E+00 1.5104E+01 O6 3940 15.999400 -0.847600 -1.6447E+01 -1.3436E+01 1.7455E+01 H1 3941 1.008000 0.423800 -1.5614E+01 -1.2923E+01 1.7247E+01 H2 3942 1.008000 0.423800 -1.6213E+01 -1.4390E+01 1.7642E+01 O6 3943 15.999400 -0.847600 -1.7050E+01 -1.0346E+01 1.6330E+01 H1 3944 1.008000 0.423800 -1.6133E+01 -1.0742E+01 1.6371E+01 H2 3945 1.008000 0.423800 -1.7282E+01 -1.0140E+01 1.5379E+01 O6 3946 15.999400 -0.847600 1.8809E+01 5.6384E+00 -3.5021E-01 H1 3947 1.008000 0.423800 1.8519E+01 5.6581E+00 6.0649E-01 H2 3948 1.008000 0.423800 -1.9365E+01 6.0160E+00 -4.2613E-01 O6 3949 15.999400 -0.847600 1.4767E+01 1.8647E+01 1.1544E+01 H1 3950 1.008000 0.423800 1.5238E+01 1.9360E+01 1.2063E+01 H2 3951 1.008000 0.423800 1.4482E+01 1.9013E+01 1.0658E+01 O6 3952 15.999400 -0.847600 1.8189E+01 -1.8878E+00 4.3365E+00 H1 3953 1.008000 0.423800 1.7635E+01 -2.7086E+00 4.4771E+00 H2 3954 1.008000 0.423800 1.9158E+01 -2.1334E+00 4.3489E+00 O6 3955 15.999400 -0.847600 -1.3844E+01 -5.7508E+00 -4.4608E-01 H1 3956 1.008000 0.423800 -1.3676E+01 -4.8834E+00 2.2517E-02 H2 3957 1.008000 0.423800 -1.4754E+01 -6.0890E+00 -2.0603E-01 O6 3958 15.999400 -0.847600 -1.4554E+01 1.1663E+01 1.1614E+01 H1 3959 1.008000 0.423800 -1.4774E+01 1.0734E+01 1.1914E+01 H2 3960 1.008000 0.423800 -1.4462E+01 1.2258E+01 1.2413E+01 O6 3961 15.999400 -0.847600 1.3153E+01 1.8682E+01 -1.3921E+01 H1 3962 1.008000 0.423800 1.2290E+01 1.9151E+01 -1.3736E+01 H2 3963 1.008000 0.423800 1.2969E+01 1.7813E+01 -1.4381E+01 O6 3964 15.999400 -0.847600 5.7342E-01 -2.5381E+00 -9.6339E+00 H1 3965 1.008000 0.423800 6.2410E-01 -3.4786E+00 -9.2981E+00 H2 3966 1.008000 0.423800 -1.2457E-01 -2.0383E+00 -9.1211E+00 O6 3967 15.999400 -0.847600 -1.9466E+01 1.9063E+01 6.2055E+00 H1 3968 1.008000 0.423800 -1.8467E+01 1.9109E+01 6.2141E+00 H2 3969 1.008000 0.423800 1.9339E+01 1.8127E+01 6.4019E+00 O6 3970 15.999400 -0.847600 -2.0364E+00 -7.9814E+00 -1.5038E+01 H1 3971 1.008000 0.423800 -2.5478E+00 -8.2809E+00 -1.5844E+01 H2 3972 1.008000 0.423800 -1.4993E+00 -7.1696E+00 -1.5267E+01 O6 3973 15.999400 -0.847600 9.6551E+00 -1.0148E+01 -1.7498E+01 H1 3974 1.008000 0.423800 1.0637E+01 -1.0202E+01 -1.7316E+01 H2 3975 1.008000 0.423800 9.4974E+00 -9.5785E+00 -1.8305E+01 O6 3976 15.999400 -0.847600 -5.1862E+00 1.1129E+01 -6.2013E+00 H1 3977 1.008000 0.423800 -5.5631E+00 1.0224E+01 -6.3978E+00 H2 3978 1.008000 0.423800 -5.8516E+00 1.1660E+01 -5.6771E+00 O6 3979 15.999400 -0.847600 5.3167E+00 -1.4012E+01 -7.0219E+00 H1 3980 1.008000 0.423800 5.0357E+00 -1.4125E+01 -6.0689E+00 H2 3981 1.008000 0.423800 5.9766E+00 -1.3263E+01 -7.0880E+00 O6 3982 15.999400 -0.847600 9.2678E-01 1.7168E+00 -3.0698E+00 H1 3983 1.008000 0.423800 1.7389E+00 1.9619E+00 -2.5403E+00 H2 3984 1.008000 0.423800 3.4843E-01 2.5243E+00 -3.1859E+00 O6 3985 15.999400 -0.847600 1.5333E+01 -1.4277E+01 -1.1946E+01 H1 3986 1.008000 0.423800 1.5068E+01 -1.3411E+01 -1.1523E+01 H2 3987 1.008000 0.423800 1.4542E+01 -1.4681E+01 -1.2404E+01 O6 3988 15.999400 -0.847600 -1.3258E+01 3.6573E+00 1.2371E+01 H1 3989 1.008000 0.423800 -1.4018E+01 3.6541E+00 1.1721E+01 H2 3990 1.008000 0.423800 -1.2415E+01 3.4001E+00 1.1899E+01 O6 3991 15.999400 -0.847600 -5.9552E+00 1.9313E+01 -1.7349E+01 H1 3992 1.008000 0.423800 -6.0721E+00 -1.9233E+01 -1.6523E+01 H2 3993 1.008000 0.423800 -5.1292E+00 1.8756E+01 -1.7264E+01 O6 3994 15.999400 -0.847600 1.3282E+01 -2.9117E+00 -1.0573E+01 H1 3995 1.008000 0.423800 1.2959E+01 -3.6866E+00 -1.0029E+01 H2 3996 1.008000 0.423800 1.4194E+01 -2.6440E+00 -1.0263E+01 O6 3997 15.999400 -0.847600 8.0791E+00 2.0716E+00 2.4316E-01 H1 3998 1.008000 0.423800 7.9770E+00 2.1942E+00 1.2304E+00 H2 3999 1.008000 0.423800 8.0923E+00 2.9658E+00 -2.0416E-01 O6 4000 15.999400 -0.847600 1.9084E+01 9.5282E+00 1.5360E+01 H1 4001 1.008000 0.423800 1.8610E+01 9.7980E+00 1.6198E+01 H2 4002 1.008000 0.423800 1.8961E+01 1.0236E+01 1.4664E+01 O6 4003 15.999400 -0.847600 1.6235E+01 -1.2880E+01 9.3987E+00 H1 4004 1.008000 0.423800 1.6830E+01 -1.3608E+01 9.0570E+00 H2 4005 1.008000 0.423800 1.5322E+01 -1.2983E+01 9.0043E+00 O6 4006 15.999400 -0.847600 -1.7810E+01 -1.6027E+01 1.8241E+00 H1 4007 1.008000 0.423800 -1.7884E+01 -1.5907E+01 2.8142E+00 H2 4008 1.008000 0.423800 -1.6894E+01 -1.5763E+01 1.5237E+00 O6 4009 15.999400 -0.847600 -5.2819E+00 -9.7838E+00 1.6606E+01 H1 4010 1.008000 0.423800 -5.2286E+00 -1.0186E+01 1.5692E+01 H2 4011 1.008000 0.423800 -5.7703E+00 -8.9125E+00 1.6559E+01 O6 4012 15.999400 -0.847600 1.4487E+01 -1.0772E+01 -1.5761E+01 H1 4013 1.008000 0.423800 1.5211E+01 -1.0204E+01 -1.6154E+01 H2 4014 1.008000 0.423800 1.4760E+01 -1.1075E+01 -1.4848E+01 O6 4015 15.999400 -0.847600 -7.2760E+00 1.7540E+01 1.5279E+01 H1 4016 1.008000 0.423800 -7.2039E+00 1.8383E+01 1.5812E+01 H2 4017 1.008000 0.423800 -7.7080E+00 1.7739E+01 1.4399E+01 O6 4018 15.999400 -0.847600 1.6359E+01 6.9535E+00 -5.4768E+00 H1 4019 1.008000 0.423800 1.6110E+01 6.0778E+00 -5.0629E+00 H2 4020 1.008000 0.423800 1.6834E+01 6.7906E+00 -6.3416E+00 O6 4021 15.999400 -0.847600 -1.8322E+01 1.7078E+01 -1.1881E+01 H1 4022 1.008000 0.423800 -1.8769E+01 1.6683E+01 -1.1078E+01 H2 4023 1.008000 0.423800 -1.8829E+01 1.6821E+01 -1.2704E+01 O6 4024 15.999400 -0.847600 1.0696E+01 1.7955E+01 6.0141E-01 H1 4025 1.008000 0.423800 9.8091E+00 1.7517E+01 4.5098E-01 H2 4026 1.008000 0.423800 1.0559E+01 1.8844E+01 1.0394E+00 O6 4027 15.999400 -0.847600 1.4343E+01 -1.1956E+01 1.8603E+01 H1 4028 1.008000 0.423800 1.4025E+01 -1.1486E+01 1.7780E+01 H2 4029 1.008000 0.423800 1.4442E+01 -1.2932E+01 1.8412E+01 O6 4030 15.999400 -0.847600 1.1868E+01 2.2629E-01 -1.0411E+01 H1 4031 1.008000 0.423800 1.1763E+01 -6.1062E-01 -1.0948E+01 H2 4032 1.008000 0.423800 1.1865E+01 1.0174E+00 -1.1022E+01 O6 4033 15.999400 -0.847600 -1.3592E+01 -1.1917E+01 -8.8283E+00 H1 4034 1.008000 0.423800 -1.3559E+01 -1.2914E+01 -8.7620E+00 H2 4035 1.008000 0.423800 -1.2702E+01 -1.1574E+01 -9.1298E+00 O6 4036 15.999400 -0.847600 1.5180E+01 5.5924E+00 6.7288E+00 H1 4037 1.008000 0.423800 1.4978E+01 5.2136E+00 7.6317E+00 H2 4038 1.008000 0.423800 1.5500E+01 4.8620E+00 6.1252E+00 O6 4039 15.999400 -0.847600 -8.0271E+00 1.5693E+01 3.4419E+00 H1 4040 1.008000 0.423800 -7.0413E+00 1.5859E+01 3.4637E+00 H2 4041 1.008000 0.423800 -8.4125E+00 1.5854E+01 4.3505E+00 O6 4042 15.999400 -0.847600 -7.9069E+00 -7.3535E-01 -6.5988E-01 H1 4043 1.008000 0.423800 -7.2657E+00 -1.0279E+00 -1.3693E+00 H2 4044 1.008000 0.423800 -8.7389E+00 -3.8215E-01 -1.0877E+00 O6 4045 15.999400 -0.847600 1.8300E+01 1.4729E+01 -1.1795E+01 H1 4046 1.008000 0.423800 1.8006E+01 1.3803E+01 -1.1555E+01 H2 4047 1.008000 0.423800 1.8592E+01 1.5210E+01 -1.0969E+01 O6 4048 15.999400 -0.847600 1.7047E+01 -1.9423E+01 5.5244E+00 H1 4049 1.008000 0.423800 1.7957E+01 1.9490E+01 5.8947E+00 H2 4050 1.008000 0.423800 1.7067E+01 -1.9515E+01 4.5289E+00 O6 4051 15.999400 -0.847600 -7.2928E+00 -6.1543E+00 1.8686E+01 H1 4052 1.008000 0.423800 -8.1779E+00 -5.9585E+00 1.9108E+01 H2 4053 1.008000 0.423800 -6.5724E+00 -5.6693E+00 1.9182E+01 O6 4054 15.999400 -0.847600 1.3089E+01 -1.7861E+01 7.4388E+00 H1 4055 1.008000 0.423800 1.3453E+01 -1.7094E+01 6.9095E+00 H2 4056 1.008000 0.423800 1.3341E+01 -1.7751E+01 8.4002E+00 O6 4057 15.999400 -0.847600 -4.2195E-01 1.7455E+00 -1.5277E+01 H1 4058 1.008000 0.423800 -1.0566E+00 1.7295E+00 -1.4504E+01 H2 4059 1.008000 0.423800 -4.5336E-01 2.6437E+00 -1.5716E+01 O6 4060 15.999400 -0.847600 -1.8355E+01 -1.6861E+01 1.1840E+01 H1 4061 1.008000 0.423800 -1.8571E+01 -1.5921E+01 1.2103E+01 H2 4062 1.008000 0.423800 -1.8782E+01 -1.7494E+01 1.2485E+01 O6 4063 15.999400 -0.847600 -1.1514E+01 1.7224E+01 1.0742E+01 H1 4064 1.008000 0.423800 -1.1442E+01 1.8103E+01 1.1213E+01 H2 4065 1.008000 0.423800 -1.2433E+01 1.7124E+01 1.0361E+01 O6 4066 15.999400 -0.847600 -1.8455E+01 1.4223E+01 5.3146E-01 H1 4067 1.008000 0.423800 -1.9296E+01 1.4177E+01 1.0713E+00 H2 4068 1.008000 0.423800 -1.7925E+01 1.3386E+01 6.6705E-01 O6 4069 15.999400 -0.847600 -5.8955E+00 1.5796E+01 -1.5325E+01 H1 4070 1.008000 0.423800 -6.0521E+00 1.6760E+01 -1.5111E+01 H2 4071 1.008000 0.423800 -6.7662E+00 1.5359E+01 -1.5550E+01 O6 4072 15.999400 -0.847600 -1.4535E+00 -9.5921E+00 -7.0653E+00 H1 4073 1.008000 0.423800 -7.8018E-01 -1.0328E+01 -6.9977E+00 H2 4074 1.008000 0.423800 -2.3544E+00 -9.9395E+00 -6.8051E+00 O6 4075 15.999400 -0.847600 -2.5501E+00 1.8058E+00 -1.8328E+01 H1 4076 1.008000 0.423800 -1.5533E+00 1.7258E+00 -1.8319E+01 H2 4077 1.008000 0.423800 -2.8140E+00 2.6298E+00 -1.8829E+01 O6 4078 15.999400 -0.847600 -3.5291E+00 -9.9867E+00 1.2379E+01 H1 4079 1.008000 0.423800 -3.2898E+00 -9.3875E+00 1.3143E+01 H2 4080 1.008000 0.423800 -3.2081E+00 -9.5803E+00 1.1524E+01 O6 4081 15.999400 -0.847600 1.7861E+00 1.7331E+01 -1.5268E+01 H1 4082 1.008000 0.423800 1.4496E+00 1.7551E+01 -1.6184E+01 H2 4083 1.008000 0.423800 1.0330E+00 1.7391E+01 -1.4613E+01 O6 4084 15.999400 -0.847600 1.0788E+01 1.1093E+01 3.6747E+00 H1 4085 1.008000 0.423800 1.1674E+01 1.1555E+01 3.7139E+00 H2 4086 1.008000 0.423800 1.0788E+01 1.0318E+01 4.3062E+00 O6 4087 15.999400 -0.847600 -9.1550E+00 1.0446E+01 9.7385E+00 H1 4088 1.008000 0.423800 -8.1716E+00 1.0603E+01 9.8299E+00 H2 4089 1.008000 0.423800 -9.6540E+00 1.1199E+01 1.0167E+01 O6 4090 15.999400 -0.847600 -1.5102E+01 9.0578E+00 -7.6264E+00 H1 4091 1.008000 0.423800 -1.5669E+01 8.2490E+00 -7.4727E+00 H2 4092 1.008000 0.423800 -1.4143E+01 8.8285E+00 -7.4595E+00 O6 4093 15.999400 -0.847600 -6.2266E+00 -4.8175E+00 9.4493E+00 H1 4094 1.008000 0.423800 -6.3469E+00 -3.8595E+00 9.1886E+00 H2 4095 1.008000 0.423800 -5.6518E+00 -4.8710E+00 1.0266E+01 O6 4096 15.999400 -0.847600 -4.5178E+00 -8.8972E-01 9.5882E+00 H1 4097 1.008000 0.423800 -4.6545E+00 9.0774E-02 9.4470E+00 H2 4098 1.008000 0.423800 -4.6205E+00 -1.3695E+00 8.7169E+00 O6 4099 15.999400 -0.847600 -1.5205E+01 6.2174E+00 2.0063E+00 H1 4100 1.008000 0.423800 -1.4939E+01 5.2839E+00 1.7657E+00 H2 4101 1.008000 0.423800 -1.4551E+01 6.8625E+00 1.6111E+00 O6 4102 15.999400 -0.847600 -2.3220E+00 -1.1660E+01 1.5855E+01 H1 4103 1.008000 0.423800 -2.0205E+00 -1.2585E+01 1.6086E+01 H2 4104 1.008000 0.423800 -2.1100E+00 -1.1042E+01 1.6611E+01 O6 4105 15.999400 -0.847600 1.2225E+01 4.3380E-03 -3.0283E+00 H1 4106 1.008000 0.423800 1.2223E+01 -1.4154E-01 -2.0389E+00 H2 4107 1.008000 0.423800 1.1613E+01 7.6208E-01 -3.2549E+00 O6 4108 15.999400 -0.847600 1.5824E+01 -3.7629E+00 1.0266E+01 H1 4109 1.008000 0.423800 1.4937E+01 -3.4191E+00 9.9575E+00 H2 4110 1.008000 0.423800 1.5901E+01 -4.7347E+00 1.0043E+01 O6 4111 15.999400 -0.847600 4.5968E+00 -9.0004E+00 1.2767E+01 H1 4112 1.008000 0.423800 5.0477E+00 -8.1948E+00 1.3152E+01 H2 4113 1.008000 0.423800 3.6479E+00 -9.0327E+00 1.3081E+01 O6 4114 15.999400 -0.847600 -1.7204E+00 -1.4789E+01 -1.6412E+01 H1 4115 1.008000 0.423800 -1.7866E+00 -1.4099E+01 -1.7132E+01 H2 4116 1.008000 0.423800 -2.4480E+00 -1.5465E+01 -1.6530E+01 O6 4117 15.999400 -0.847600 -1.5620E+01 1.1242E+01 1.5225E+01 H1 4118 1.008000 0.423800 -1.4621E+01 1.1233E+01 1.5184E+01 H2 4119 1.008000 0.423800 -1.5984E+01 1.0523E+01 1.4632E+01 O6 4120 15.999400 -0.847600 6.7907E+00 1.5737E+01 -5.3043E+00 H1 4121 1.008000 0.423800 6.0941E+00 1.5467E+01 -5.9692E+00 H2 4122 1.008000 0.423800 6.5109E+00 1.5443E+01 -4.3905E+00 O6 4123 15.999400 -0.847600 1.1272E+01 7.4334E+00 1.3477E+01 H1 4124 1.008000 0.423800 1.0379E+01 7.4590E+00 1.3926E+01 H2 4125 1.008000 0.423800 1.1752E+01 8.2953E+00 1.3641E+01 O6 4126 15.999400 -0.847600 1.7636E+01 1.4773E+01 6.4724E-04 H1 4127 1.008000 0.423800 1.8333E+01 1.4845E+01 -7.1279E-01 H2 4128 1.008000 0.423800 1.7980E+01 1.5183E+01 8.4535E-01 O6 4129 15.999400 -0.847600 -1.0941E+00 -1.6363E+01 1.4756E+01 H1 4130 1.008000 0.423800 -3.9529E-01 -1.5793E+01 1.5189E+01 H2 4131 1.008000 0.423800 -1.3486E+00 -1.7106E+01 1.5376E+01 O6 4132 15.999400 -0.847600 1.6729E+01 1.2718E+01 1.5223E+01 H1 4133 1.008000 0.423800 1.6965E+01 1.2253E+01 1.4370E+01 H2 4134 1.008000 0.423800 1.7540E+01 1.2780E+01 1.5805E+01 O6 4135 15.999400 -0.847600 1.1994E+01 -1.4404E+01 -9.1675E+00 H1 4136 1.008000 0.423800 1.1489E+01 -1.4843E+01 -9.9110E+00 H2 4137 1.008000 0.423800 1.2656E+01 -1.5050E+01 -8.7875E+00 O6 4138 15.999400 -0.847600 1.3946E+01 -1.4977E+01 6.5878E+00 H1 4139 1.008000 0.423800 1.3144E+01 -1.5007E+01 5.9913E+00 H2 4140 1.008000 0.423800 1.4633E+01 -1.5624E+01 6.2567E+00 O6 4141 15.999400 -0.847600 -2.3095E+00 1.3533E+01 -1.3912E+01 H1 4142 1.008000 0.423800 -2.7403E+00 1.3123E+01 -1.4716E+01 H2 4143 1.008000 0.423800 -2.5649E+00 1.4498E+01 -1.3854E+01 O6 4144 15.999400 -0.847600 -1.2340E+01 -1.2536E+01 -1.9242E+01 H1 4145 1.008000 0.423800 -1.2523E+01 -1.3518E+01 -1.9200E+01 H2 4146 1.008000 0.423800 -1.2022E+01 -1.2218E+01 -1.8348E+01 O6 4147 15.999400 -0.847600 2.5079E+00 1.6274E+01 -1.8535E+01 H1 4148 1.008000 0.423800 2.0537E+00 1.5389E+01 -1.8436E+01 H2 4149 1.008000 0.423800 1.9200E+00 1.6993E+01 -1.8165E+01 O6 4150 15.999400 -0.847600 1.3060E+01 -4.2017E+00 6.7934E+00 H1 4151 1.008000 0.423800 1.3160E+01 -5.1636E+00 6.5386E+00 H2 4152 1.008000 0.423800 1.2156E+01 -3.8757E+00 6.5179E+00 O6 4153 15.999400 -0.847600 6.0210E+00 -5.6945E+00 1.1804E+00 H1 4154 1.008000 0.423800 5.4838E+00 -5.1310E+00 5.5281E-01 H2 4155 1.008000 0.423800 6.3181E+00 -6.5258E+00 7.1060E-01 O6 4156 15.999400 -0.847600 1.4507E+01 -3.8962E+00 1.2995E+01 H1 4157 1.008000 0.423800 1.5141E+01 -4.6562E+00 1.3140E+01 H2 4158 1.008000 0.423800 1.3575E+01 -4.2492E+00 1.2923E+01 O6 4159 15.999400 -0.847600 2.2166E+00 1.0241E+01 -1.4696E+01 H1 4160 1.008000 0.423800 1.3001E+00 9.8411E+00 -1.4690E+01 H2 4161 1.008000 0.423800 2.8900E+00 9.5354E+00 -1.4476E+01 O6 4162 15.999400 -0.847600 -1.9128E+01 7.1151E-01 -1.3134E+01 H1 4163 1.008000 0.423800 1.9240E+01 1.9821E-01 -1.2682E+01 H2 4164 1.008000 0.423800 -1.9337E+01 7.9964E-01 -1.4108E+01 O6 4165 15.999400 -0.847600 -2.4570E+00 1.1355E+00 -1.3167E+01 H1 4166 1.008000 0.423800 -2.8139E+00 2.2711E-01 -1.2949E+01 H2 4167 1.008000 0.423800 -2.8234E+00 1.4351E+00 -1.4048E+01 O6 4168 15.999400 -0.847600 4.7774E+00 1.2153E+00 1.0488E+01 H1 4169 1.008000 0.423800 5.4990E+00 7.4387E-01 9.9810E+00 H2 4170 1.008000 0.423800 4.6056E+00 2.1078E+00 1.0071E+01 O6 4171 15.999400 -0.847600 7.4991E+00 -1.7115E+01 -1.0452E+01 H1 4172 1.008000 0.423800 6.4991E+00 -1.7113E+01 -1.0456E+01 H2 4173 1.008000 0.423800 7.8285E+00 -1.6842E+01 -9.5477E+00 O6 4174 15.999400 -0.847600 2.2440E+00 9.7524E+00 -1.9468E+01 H1 4175 1.008000 0.423800 1.5840E+00 1.0448E+01 -1.9184E+01 H2 4176 1.008000 0.423800 1.9897E+00 9.3989E+00 1.8730E+01 O6 4177 15.999400 -0.847600 -6.9919E+00 -1.1638E+01 -8.2521E+00 H1 4178 1.008000 0.423800 -7.9804E+00 -1.1765E+01 -8.1692E+00 H2 4179 1.008000 0.423800 -6.5198E+00 -1.2394E+01 -7.7982E+00 O6 4180 15.999400 -0.847600 1.3283E+00 -1.3995E+01 9.6153E+00 H1 4181 1.008000 0.423800 1.5350E+00 -1.3311E+01 8.9161E+00 H2 4182 1.008000 0.423800 3.5239E-01 -1.4212E+01 9.5910E+00 O6 4183 15.999400 -0.847600 -1.4843E+01 -5.3658E+00 -1.6510E+01 H1 4184 1.008000 0.423800 -1.5093E+01 -5.5628E+00 -1.5562E+01 H2 4185 1.008000 0.423800 -1.5040E+01 -6.1641E+00 -1.7079E+01 O6 4186 15.999400 -0.847600 1.4350E+01 -1.4182E+01 1.3149E+01 H1 4187 1.008000 0.423800 1.5268E+01 -1.4408E+01 1.2822E+01 H2 4188 1.008000 0.423800 1.3750E+01 -1.4973E+01 1.3029E+01 O6 4189 15.999400 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3.8148E+00 -1.2344E+01 7.4557E+00 H2 4206 1.008000 0.423800 3.6259E+00 -1.3003E+01 8.9380E+00 O6 4207 15.999400 -0.847600 3.1640E+00 -1.4639E+01 1.1515E+01 H1 4208 1.008000 0.423800 2.6864E+00 -1.4118E+01 1.2223E+01 H2 4209 1.008000 0.423800 2.5966E+00 -1.4682E+01 1.0693E+01 O6 4210 15.999400 -0.847600 1.3317E+01 1.2047E+01 -5.1010E+00 H1 4211 1.008000 0.423800 1.2889E+01 1.2794E+01 -5.6106E+00 H2 4212 1.008000 0.423800 1.2607E+01 1.1469E+01 -4.6981E+00 O6 4213 15.999400 -0.847600 1.4579E+01 5.5487E+00 -1.4646E+01 H1 4214 1.008000 0.423800 1.4755E+01 5.7914E+00 -1.3692E+01 H2 4215 1.008000 0.423800 1.4643E+01 4.5568E+00 -1.4755E+01 O6 4216 15.999400 -0.847600 1.3379E+01 -1.6882E+01 -1.1303E+01 H1 4217 1.008000 0.423800 1.3378E+01 -1.6412E+01 -1.2186E+01 H2 4218 1.008000 0.423800 1.2904E+01 -1.7757E+01 -1.1391E+01 O6 4219 15.999400 -0.847600 9.0561E+00 9.8861E+00 9.8383E+00 H1 4220 1.008000 0.423800 8.6956E+00 9.7518E+00 1.0761E+01 H2 4221 1.008000 0.423800 9.6873E+00 9.1431E+00 9.6156E+00 O6 4222 15.999400 -0.847600 -1.6604E+01 8.8926E+00 1.4378E+01 H1 4223 1.008000 0.423800 -1.6667E+01 8.0765E+00 1.4952E+01 H2 4224 1.008000 0.423800 -1.6694E+01 8.6313E+00 1.3417E+01 O6 4225 15.999400 -0.847600 -1.0634E+01 -1.8383E+01 1.4050E+01 H1 4226 1.008000 0.423800 -9.7606E+00 -1.8864E+01 1.3978E+01 H2 4227 1.008000 0.423800 -1.1299E+01 -1.8806E+01 1.3435E+01 O6 4228 15.999400 -0.847600 1.1604E+00 -1.5721E+00 -4.7927E+00 H1 4229 1.008000 0.423800 2.1185E+00 -1.6379E+00 -4.5140E+00 H2 4230 1.008000 0.423800 5.7444E-01 -1.6112E+00 -3.9833E+00 O6 4231 15.999400 -0.847600 1.4735E+01 -6.5480E+00 -1.1522E+01 H1 4232 1.008000 0.423800 1.4310E+01 -7.3809E+00 -1.1877E+01 H2 4233 1.008000 0.423800 1.4380E+01 -6.3561E+00 -1.0607E+01 O6 4234 15.999400 -0.847600 1.6289E+01 -1.7235E+01 -8.0572E+00 H1 4235 1.008000 0.423800 1.5435E+01 -1.6725E+01 -8.1639E+00 H2 4236 1.008000 0.423800 1.6421E+01 -1.7466E+01 -7.0932E+00 O6 4237 15.999400 -0.847600 1.6334E+01 -1.9064E+01 -2.7389E+00 H1 4238 1.008000 0.423800 1.7027E+01 -1.9115E+01 -2.0193E+00 H2 4239 1.008000 0.423800 1.5702E+01 1.9264E+01 -2.6477E+00 O6 4240 15.999400 -0.847600 -7.6421E+00 -1.8152E+01 5.9665E+00 H1 4241 1.008000 0.423800 -7.9676E+00 -1.7936E+01 5.0459E+00 H2 4242 1.008000 0.423800 -8.4026E+00 -1.8087E+01 6.6125E+00 O6 4243 15.999400 -0.847600 -1.4147E+01 8.1198E+00 4.6851E-01 H1 4244 1.008000 0.423800 -1.3196E+01 8.1368E+00 1.6201E-01 H2 4245 1.008000 0.423800 -1.4752E+01 8.0585E+00 -3.2552E-01 O6 4246 15.999400 -0.847600 -6.9585E+00 8.7877E+00 9.9012E-01 H1 4247 1.008000 0.423800 -6.2021E+00 8.4056E+00 4.5920E-01 H2 4248 1.008000 0.423800 -7.7801E+00 8.8239E+00 4.2121E-01 O6 4249 15.999400 -0.847600 -1.5009E+01 -7.1446E+00 1.1102E+01 H1 4250 1.008000 0.423800 -1.4745E+01 -6.7808E+00 1.0208E+01 H2 4251 1.008000 0.423800 -1.5837E+01 -6.6825E+00 1.1418E+01 O6 4252 15.999400 -0.847600 -6.7424E+00 5.7394E+00 5.5795E+00 H1 4253 1.008000 0.423800 -6.5018E+00 5.9267E+00 6.5319E+00 H2 4254 1.008000 0.423800 -6.7237E+00 6.5919E+00 5.0572E+00 O6 4255 15.999400 -0.847600 -9.1387E+00 5.2354E+00 -7.8498E+00 H1 4256 1.008000 0.423800 -9.4169E+00 4.5821E+00 -7.1457E+00 H2 4257 1.008000 0.423800 -8.1505E+00 5.3800E+00 -7.7984E+00 O6 4258 15.999400 -0.847600 4.1068E+00 -4.5399E-01 -6.7132E-01 H1 4259 1.008000 0.423800 4.5496E+00 -5.1616E-01 -1.5658E+00 H2 4260 1.008000 0.423800 3.7208E+00 -1.3438E+00 -4.2801E-01 O6 4261 15.999400 -0.847600 1.7705E+00 -8.0586E+00 -2.0811E+00 H1 4262 1.008000 0.423800 2.6020E+00 -7.5033E+00 -2.0648E+00 H2 4263 1.008000 0.423800 1.6807E+00 -8.4980E+00 -2.9748E+00 O6 4264 15.999400 -0.847600 -1.4539E+00 1.6454E+01 -1.5561E+01 H1 4265 1.008000 0.423800 -1.3234E+00 1.5654E+01 -1.6146E+01 H2 4266 1.008000 0.423800 -1.3535E+00 1.7286E+01 -1.6107E+01 O6 4267 15.999400 -0.847600 -1.9006E+01 -1.2453E+01 1.1154E+01 H1 4268 1.008000 0.423800 -1.9451E+01 -1.2642E+01 1.0279E+01 H2 4269 1.008000 0.423800 -1.8868E+01 -1.1468E+01 1.1252E+01 O6 4270 15.999400 -0.847600 6.1008E+00 -1.2675E+01 7.3296E+00 H1 4271 1.008000 0.423800 5.6708E+00 -1.2147E+01 6.5966E+00 H2 4272 1.008000 0.423800 6.3464E+00 -1.2062E+01 8.0808E+00 O6 4273 15.999400 -0.847600 -1.3058E+01 1.1259E+01 2.4591E+00 H1 4274 1.008000 0.423800 -1.3762E+01 1.0679E+01 2.0493E+00 H2 4275 1.008000 0.423800 -1.2891E+01 1.2048E+01 1.8680E+00 O6 4276 15.999400 -0.847600 1.2340E+01 1.5376E+01 -9.7231E+00 H1 4277 1.008000 0.423800 1.2511E+01 1.5574E+01 -8.7577E+00 H2 4278 1.008000 0.423800 1.1933E+01 1.6178E+01 -1.0160E+01 O6 4279 15.999400 -0.847600 5.2731E+00 1.4390E+01 -7.0984E+00 H1 4280 1.008000 0.423800 5.5381E+00 1.4675E+01 -8.0196E+00 H2 4281 1.008000 0.423800 4.5953E+00 1.3657E+01 -7.1582E+00 O6 4282 15.999400 -0.847600 1.5632E+01 9.0994E+00 3.5736E+00 H1 4283 1.008000 0.423800 1.4929E+01 8.3879E+00 3.5515E+00 H2 4284 1.008000 0.423800 1.5292E+01 9.9175E+00 3.1095E+00 O6 4285 15.999400 -0.847600 3.1757E+00 1.0906E+01 -1.1359E+01 H1 4286 1.008000 0.423800 2.8168E+00 1.0325E+01 -1.2089E+01 H2 4287 1.008000 0.423800 2.4617E+00 1.1064E+01 -1.0677E+01 O6 4288 15.999400 -0.847600 -4.8887E+00 1.6179E+01 4.9350E+00 H1 4289 1.008000 0.423800 -4.7472E+00 1.6213E+01 3.9456E+00 H2 4290 1.008000 0.423800 -4.6114E+00 1.7050E+01 5.3411E+00 O6 4291 15.999400 -0.847600 -4.6221E+00 1.8557E+01 -4.5017E+00 H1 4292 1.008000 0.423800 -4.5748E+00 1.9282E+01 -5.1891E+00 H2 4293 1.008000 0.423800 -5.5021E+00 1.8603E+01 -4.0291E+00 O6 4294 15.999400 -0.847600 -1.0537E+01 1.6531E+01 -1.4759E+01 H1 4295 1.008000 0.423800 -9.9035E+00 1.5915E+01 -1.5228E+01 H2 4296 1.008000 0.423800 -1.1292E+01 1.6762E+01 -1.5373E+01 O6 4297 15.999400 -0.847600 -1.0170E+01 5.1704E-01 -8.8093E-01 H1 4298 1.008000 0.423800 -1.0957E+01 1.4385E-01 -3.9016E-01 H2 4299 1.008000 0.423800 -1.0059E+01 1.4832E+00 -6.4794E-01 O6 4300 15.999400 -0.847600 2.1846E+00 -1.1475E+01 3.6998E-01 H1 4301 1.008000 0.423800 1.9776E+00 -1.0502E+01 4.7238E-01 H2 4302 1.008000 0.423800 1.9876E+00 -1.1949E+01 1.2278E+00 O6 4303 15.999400 -0.847600 1.3342E+01 1.7669E+01 7.4214E+00 H1 4304 1.008000 0.423800 1.2539E+01 1.8070E+01 7.8620E+00 H2 4305 1.008000 0.423800 1.4160E+01 1.8171E+01 7.6994E+00 O6 4306 15.999400 -0.847600 2.4961E+00 1.3119E+01 8.0046E+00 H1 4307 1.008000 0.423800 3.4569E+00 1.3359E+01 8.1431E+00 H2 4308 1.008000 0.423800 1.9150E+00 1.3794E+01 8.4589E+00 O6 4309 15.999400 -0.847600 3.1916E+00 -6.4482E-01 9.5932E+00 H1 4310 1.008000 0.423800 2.8387E+00 -1.2840E+00 1.0277E+01 H2 4311 1.008000 0.423800 3.6769E+00 9.9360E-02 1.0052E+01 O6 4312 15.999400 -0.847600 -1.7891E+00 8.7490E+00 9.2675E+00 H1 4313 1.008000 0.423800 -9.8281E-01 9.1154E+00 9.7321E+00 H2 4314 1.008000 0.423800 -1.5021E+00 8.2238E+00 8.4664E+00 O6 4315 15.999400 -0.847600 -1.9097E+01 -3.7370E+00 -5.4845E+00 H1 4316 1.008000 0.423800 1.9331E+01 -3.8758E+00 -6.2140E+00 H2 4317 1.008000 0.423800 -1.8551E+01 -4.5670E+00 -5.3710E+00 O6 4318 15.999400 -0.847600 9.9692E+00 1.2533E+01 -1.0600E+01 H1 4319 1.008000 0.423800 9.6842E+00 1.3388E+01 -1.1035E+01 H2 4320 1.008000 0.423800 1.0845E+01 1.2671E+01 -1.0138E+01 O6 4321 15.999400 -0.847600 -1.1592E+01 5.8323E-02 7.2315E+00 H1 4322 1.008000 0.423800 -1.1981E+01 1.5562E-01 8.1476E+00 H2 4323 1.008000 0.423800 -1.1493E+01 -9.1244E-01 7.0128E+00 O6 4324 15.999400 -0.847600 5.7999E+00 1.5353E+01 -2.8694E+00 H1 4325 1.008000 0.423800 5.0208E+00 1.5670E+01 -2.3285E+00 H2 4326 1.008000 0.423800 6.0938E+00 1.4457E+01 -2.5370E+00 O6 4327 15.999400 -0.847600 -5.8966E+00 1.5649E+00 5.6321E+00 H1 4328 1.008000 0.423800 -5.9116E+00 2.4546E+00 5.1759E+00 H2 4329 1.008000 0.423800 -6.4411E+00 1.6105E+00 6.4695E+00 O6 4330 15.999400 -0.847600 1.7100E+01 7.5224E+00 1.4259E+01 H1 4331 1.008000 0.423800 1.7951E+01 7.9042E+00 1.4620E+01 H2 4332 1.008000 0.423800 1.6321E+01 7.9900E+00 1.4676E+01 O6 4333 15.999400 -0.847600 -8.4301E+00 -1.6305E+01 -1.8802E+01 H1 4334 1.008000 0.423800 -8.5310E+00 -1.6350E+01 1.9302E+01 H2 4335 1.008000 0.423800 -8.9653E+00 -1.7036E+01 -1.8379E+01 O6 4336 15.999400 -0.847600 -8.9240E-01 -1.8168E+01 -1.8258E+01 H1 4337 1.008000 0.423800 -1.1289E+00 -1.7315E+01 -1.7793E+01 H2 4338 1.008000 0.423800 8.5988E-02 -1.8175E+01 -1.8465E+01 O6 4339 15.999400 -0.847600 9.1144E+00 1.0010E+01 6.8292E+00 H1 4340 1.008000 0.423800 9.7180E+00 9.3476E+00 6.3852E+00 H2 4341 1.008000 0.423800 9.1260E+00 9.8607E+00 7.8180E+00 O6 4342 15.999400 -0.847600 2.8486E+00 1.6528E+01 6.0445E+00 H1 4343 1.008000 0.423800 2.2497E+00 1.7302E+01 6.2495E+00 H2 4344 1.008000 0.423800 3.6780E+00 1.6592E+01 6.5993E+00 O6 4345 15.999400 -0.847600 -1.6465E+01 1.5277E+01 -1.2664E+01 H1 4346 1.008000 0.423800 -1.7140E+01 1.5833E+01 -1.3149E+01 H2 4347 1.008000 0.423800 -1.5615E+01 1.5796E+01 -1.2566E+01 O6 4348 15.999400 -0.847600 1.6730E+01 1.4971E+01 4.4120E+00 H1 4349 1.008000 0.423800 1.6877E+01 1.5048E+01 5.3981E+00 H2 4350 1.008000 0.423800 1.7198E+01 1.4158E+01 4.0674E+00 O6 4351 15.999400 -0.847600 -6.8804E+00 2.9749E+00 -2.3502E+00 H1 4352 1.008000 0.423800 -6.5644E+00 3.4960E+00 -1.5574E+00 H2 4353 1.008000 0.423800 -7.8777E+00 2.9044E+00 -2.3267E+00 O6 4354 15.999400 -0.847600 5.4953E+00 1.9528E+01 1.6432E+01 H1 4355 1.008000 0.423800 5.9073E+00 1.8932E+01 1.7121E+01 H2 4356 1.008000 0.423800 6.1780E+00 -1.8915E+01 1.6106E+01 O6 4357 15.999400 -0.847600 3.0917E+00 -5.2711E+00 1.6247E+01 H1 4358 1.008000 0.423800 2.4217E+00 -4.7730E+00 1.5697E+01 H2 4359 1.008000 0.423800 2.6267E+00 -5.9812E+00 1.6776E+01 O6 4360 15.999400 -0.847600 8.9855E+00 -4.9989E+00 -1.1525E+01 H1 4361 1.008000 0.423800 8.6455E+00 -4.4381E+00 -1.0770E+01 H2 4362 1.008000 0.423800 9.8616E+00 -4.6354E+00 -1.1841E+01 O6 4363 15.999400 -0.847600 1.9279E+01 1.2746E+01 1.6442E+01 H1 4364 1.008000 0.423800 -1.9412E+01 1.3154E+01 1.7259E+01 H2 4365 1.008000 0.423800 1.9520E+01 1.3294E+01 1.5641E+01 O6 4366 15.999400 -0.847600 3.0414E+00 -6.8719E+00 7.2233E+00 H1 4367 1.008000 0.423800 3.0074E+00 -6.5672E+00 6.2714E+00 H2 4368 1.008000 0.423800 2.2236E+00 -7.4085E+00 7.4309E+00 O6 4369 15.999400 -0.847600 1.9271E+01 -1.3250E+01 -2.2505E+00 H1 4370 1.008000 0.423800 -1.9393E+01 -1.4117E+01 -2.0064E+00 H2 4371 1.008000 0.423800 1.8854E+01 -1.3329E+01 -3.1563E+00 O6 4372 15.999400 -0.847600 -7.1660E-01 -7.1480E+00 -1.8129E+01 H1 4373 1.008000 0.423800 -1.3427E+00 -7.9278E+00 -1.8132E+01 H2 4374 1.008000 0.423800 -7.4141E-01 -6.7036E+00 -1.7234E+01 O6 4375 15.999400 -0.847600 1.3356E+01 3.0397E+00 3.4519E+00 H1 4376 1.008000 0.423800 1.3037E+01 3.2197E+00 4.3824E+00 H2 4377 1.008000 0.423800 1.2655E+01 3.3253E+00 2.7981E+00 O6 4378 15.999400 -0.847600 4.1745E-01 -5.2979E+00 -9.0969E+00 H1 4379 1.008000 0.423800 -4.6035E-01 -5.7768E+00 -9.1102E+00 H2 4380 1.008000 0.423800 1.1289E+00 -5.9155E+00 -8.7616E+00 O6 4381 15.999400 -0.847600 1.3633E+01 -1.0646E+01 1.6534E+01 H1 4382 1.008000 0.423800 1.3483E+01 -1.1423E+01 1.5922E+01 H2 4383 1.008000 0.423800 1.4403E+01 -1.0103E+01 1.6200E+01 O6 4384 15.999400 -0.847600 4.9367E+00 1.1175E+01 -9.6150E-01 H1 4385 1.008000 0.423800 3.9399E+00 1.1249E+01 -9.9037E-01 H2 4386 1.008000 0.423800 5.2280E+00 1.0383E+01 -1.4978E+00 O6 4387 15.999400 -0.847600 3.3724E+00 -1.2693E+01 -4.3181E+00 H1 4388 1.008000 0.423800 3.4824E+00 -1.2365E+01 -3.3796E+00 H2 4389 1.008000 0.423800 4.0188E+00 -1.3436E+01 -4.4898E+00 O6 4390 15.999400 -0.847600 1.9120E+01 1.8522E+01 -1.7454E+01 H1 4391 1.008000 0.423800 1.9065E+01 1.8476E+01 -1.6457E+01 H2 4392 1.008000 0.423800 1.8326E+01 1.9017E+01 -1.7809E+01 O6 4393 15.999400 -0.847600 -1.0753E+01 1.9149E+01 1.6890E+00 H1 4394 1.008000 0.423800 -1.0381E+01 -1.9082E+01 1.3569E+00 H2 4395 1.008000 0.423800 -1.1150E+01 1.8642E+01 9.2407E-01 O6 4396 15.999400 -0.847600 -1.9637E+00 8.0423E-02 4.0915E+00 H1 4397 1.008000 0.423800 -2.6860E+00 -1.1343E-02 4.7769E+00 H2 4398 1.008000 0.423800 -1.5279E+00 -8.0773E-01 3.9456E+00 O6 4399 15.999400 -0.847600 6.5423E+00 1.2223E+01 -5.0780E+00 H1 4400 1.008000 0.423800 7.3716E+00 1.2341E+01 -4.5316E+00 H2 4401 1.008000 0.423800 6.7340E+00 1.2462E+01 -6.0300E+00 O6 4402 15.999400 -0.847600 3.3109E+00 -1.3972E+01 4.6834E+00 H1 4403 1.008000 0.423800 2.8319E+00 -1.4377E+01 3.9044E+00 H2 4404 1.008000 0.423800 3.5101E+00 -1.4683E+01 5.3579E+00 O6 4405 15.999400 -0.847600 6.4986E+00 -9.3149E+00 8.4729E+00 H1 4406 1.008000 0.423800 6.6471E+00 -9.6321E+00 7.5362E+00 H2 4407 1.008000 0.423800 6.6618E+00 -1.0068E+01 9.1098E+00 O6 4408 15.999400 -0.847600 5.1034E+00 -1.0496E+01 -1.0586E+01 H1 4409 1.008000 0.423800 5.5739E+00 -1.1372E+01 -1.0481E+01 H2 4410 1.008000 0.423800 4.1212E+00 -1.0655E+01 -1.0687E+01 O6 4411 15.999400 -0.847600 -5.3475E+00 -1.5170E+01 -1.1951E+01 H1 4412 1.008000 0.423800 -5.5319E+00 -1.4976E+01 -1.0988E+01 H2 4413 1.008000 0.423800 -5.0468E+00 -1.4333E+01 -1.2408E+01 O6 4414 15.999400 -0.847600 -8.2572E-01 -1.6187E+00 -1.3580E+01 H1 4415 1.008000 0.423800 -1.5537E+00 -1.6257E+00 -1.4266E+01 H2 4416 1.008000 0.423800 -1.1979E+00 -1.3185E+00 -1.2702E+01 O6 4417 15.999400 -0.847600 1.8718E+01 -8.4719E+00 1.5610E+01 H1 4418 1.008000 0.423800 1.9180E+01 -8.3925E+00 1.6494E+01 H2 4419 1.008000 0.423800 1.9090E+01 -7.7936E+00 1.4977E+01 O6 4420 15.999400 -0.847600 -1.2130E+01 -1.4619E+01 -1.1130E+01 H1 4421 1.008000 0.423800 -1.2829E+01 -1.5016E+01 -1.0535E+01 H2 4422 1.008000 0.423800 -1.2556E+01 -1.4297E+01 -1.1976E+01 O6 4423 15.999400 -0.847600 3.2813E+00 -6.4380E+00 4.5397E+00 H1 4424 1.008000 0.423800 4.2468E+00 -6.3656E+00 4.2894E+00 H2 4425 1.008000 0.423800 2.7162E+00 -6.0882E+00 3.7926E+00 O6 4426 15.999400 -0.847600 -1.4287E+00 -7.5698E+00 -2.4517E+00 H1 4427 1.008000 0.423800 -1.5102E+00 -7.6622E+00 -1.4593E+00 H2 4428 1.008000 0.423800 -6.2191E-01 -8.0691E+00 -2.7677E+00 O6 4429 15.999400 -0.847600 -7.2085E+00 -1.8370E+01 1.4020E+01 H1 4430 1.008000 0.423800 -6.4074E+00 -1.8752E+01 1.4481E+01 H2 4431 1.008000 0.423800 -6.9709E+00 -1.7487E+01 1.3615E+01 O6 4432 15.999400 -0.847600 -7.9285E+00 -9.3422E+00 -1.9280E+01 H1 4433 1.008000 0.423800 -8.2135E+00 -1.0234E+01 1.9467E+01 H2 4434 1.008000 0.423800 -8.5059E+00 -8.6284E+00 1.9421E+01 O6 4435 15.999400 -0.847600 -4.8275E+00 -3.0649E+00 1.7023E+01 H1 4436 1.008000 0.423800 -4.0622E+00 -3.6537E+00 1.7283E+01 H2 4437 1.008000 0.423800 -5.5305E+00 -3.6130E+00 1.6570E+01 O6 4438 15.999400 -0.847600 -5.5192E-01 9.0776E+00 -1.4879E+01 H1 4439 1.008000 0.423800 -1.8627E-01 8.2742E+00 -1.4409E+01 H2 4440 1.008000 0.423800 -6.7894E-01 8.8674E+00 -1.5848E+01 O6 4441 15.999400 -0.847600 3.6633E+00 -1.6157E+01 1.6937E+01 H1 4442 1.008000 0.423800 4.0874E+00 -1.6021E+01 1.7832E+01 H2 4443 1.008000 0.423800 4.3346E+00 -1.5973E+01 1.6219E+01 O6 4444 15.999400 -0.847600 1.2257E+01 -1.9295E+01 1.3176E+01 H1 4445 1.008000 0.423800 1.3145E+01 1.9458E+01 1.2872E+01 H2 4446 1.008000 0.423800 1.1778E+01 1.9088E+01 1.3686E+01 O6 4447 15.999400 -0.847600 3.8872E+00 3.5510E+00 9.3418E+00 H1 4448 1.008000 0.423800 4.8339E+00 3.8111E+00 9.5319E+00 H2 4449 1.008000 0.423800 3.7625E+00 3.4443E+00 8.3554E+00 O6 4450 15.999400 -0.847600 -1.6522E+00 1.7628E+01 2.3090E+00 H1 4451 1.008000 0.423800 -1.6249E+00 1.8065E+01 1.4099E+00 H2 4452 1.008000 0.423800 -1.4273E+00 1.6658E+01 2.2152E+00 O6 4453 15.999400 -0.847600 -6.7842E+00 -1.0303E+01 -4.7109E+00 H1 4454 1.008000 0.423800 -6.6848E+00 -1.0466E+01 -3.7294E+00 H2 4455 1.008000 0.423800 -7.2502E+00 -1.1081E+01 -5.1328E+00 O6 4456 15.999400 -0.847600 1.0518E+01 -1.5938E+01 -1.5558E+01 H1 4457 1.008000 0.423800 1.1141E+01 -1.6416E+01 -1.6177E+01 H2 4458 1.008000 0.423800 1.0164E+01 -1.6581E+01 -1.4879E+01 O6 4459 15.999400 -0.847600 -1.1942E+01 -1.9086E+01 1.1715E+01 H1 4460 1.008000 0.423800 -1.1641E+01 -1.8184E+01 1.1406E+01 H2 4461 1.008000 0.423800 -1.2932E+01 -1.9078E+01 1.1852E+01 O6 4462 15.999400 -0.847600 1.6494E+01 1.8847E+01 -6.3224E+00 H1 4463 1.008000 0.423800 1.7028E+01 1.9062E+01 -7.1405E+00 H2 4464 1.008000 0.423800 1.7070E+01 1.8357E+01 -5.6683E+00 O6 4465 15.999400 -0.847600 2.0647E+00 -1.5797E+01 2.7350E+00 H1 4466 1.008000 0.423800 2.7087E+00 -1.5789E+01 1.9699E+00 H2 4467 1.008000 0.423800 1.6504E+00 -1.6703E+01 2.8132E+00 O6 4468 15.999400 -0.847600 -4.2484E+00 1.8724E+00 8.7204E+00 H1 4469 1.008000 0.423800 -3.7681E+00 2.7462E+00 8.6444E+00 H2 4470 1.008000 0.423800 -5.2254E+00 2.0142E+00 8.5612E+00 O6 4471 15.999400 -0.847600 3.8385E+00 7.0417E+00 -1.2020E+01 H1 4472 1.008000 0.423800 3.1676E+00 7.5022E+00 -1.1439E+01 H2 4473 1.008000 0.423800 3.6100E+00 6.0705E+00 -1.2087E+01 O6 4474 15.999400 -0.847600 -1.7448E+01 -1.2082E+00 -5.3426E+00 H1 4475 1.008000 0.423800 -1.8170E+01 -1.8712E+00 -5.5390E+00 H2 4476 1.008000 0.423800 -1.7556E+01 -4.1202E-01 -5.9381E+00 O6 4477 15.999400 -0.847600 -1.3885E+01 -1.9122E+01 -1.7143E+01 H1 4478 1.008000 0.423800 -1.3221E+01 -1.8378E+01 -1.7228E+01 H2 4479 1.008000 0.423800 -1.4732E+01 -1.8768E+01 -1.6747E+01 O6 4480 15.999400 -0.847600 -2.6082E+00 -2.8622E+00 8.0474E+00 H1 4481 1.008000 0.423800 -2.4695E+00 -3.6309E+00 8.6718E+00 H2 4482 1.008000 0.423800 -3.2496E+00 -3.1286E+00 7.3280E+00 O6 4483 15.999400 -0.847600 9.7320E+00 4.4813E+00 -1.3807E+01 H1 4484 1.008000 0.423800 1.0378E+01 5.1839E+00 -1.4105E+01 H2 4485 1.008000 0.423800 8.8024E+00 4.8481E+00 -1.3841E+01 O6 4486 15.999400 -0.847600 -3.8025E+00 -1.6895E+01 9.8020E+00 H1 4487 1.008000 0.423800 -4.5687E+00 -1.7419E+01 1.0174E+01 H2 4488 1.008000 0.423800 -3.8051E+00 -1.5976E+01 1.0195E+01 O6 4489 15.999400 -0.847600 -9.4839E+00 -9.0252E+00 1.7279E+01 H1 4490 1.008000 0.423800 -8.6957E+00 -8.5590E+00 1.6877E+01 H2 4491 1.008000 0.423800 -1.0272E+01 -8.9326E+00 1.6670E+01 O6 4492 15.999400 -0.847600 -1.8854E+01 -1.1922E+01 1.7465E+01 H1 4493 1.008000 0.423800 -1.8273E+01 -1.2733E+01 1.7535E+01 H2 4494 1.008000 0.423800 -1.8307E+01 -1.1145E+01 1.7154E+01 O6 4495 15.999400 -0.847600 -4.2392E+00 6.1752E+00 -8.7356E+00 H1 4496 1.008000 0.423800 -4.1592E+00 5.6819E+00 -9.6018E+00 H2 4497 1.008000 0.423800 -4.0977E+00 5.5402E+00 -7.9762E+00 O6 4498 15.999400 -0.847600 -1.8491E+00 1.2309E+01 5.4651E+00 H1 4499 1.008000 0.423800 -1.1890E+00 1.1563E+01 5.5549E+00 H2 4500 1.008000 0.423800 -2.7562E+00 1.1985E+01 5.7339E+00 O6 4501 15.999400 -0.847600 1.0304E+01 3.8570E-01 -8.1840E+00 H1 4502 1.008000 0.423800 1.0930E+01 3.4988E-02 -8.8804E+00 H2 4503 1.008000 0.423800 9.4812E+00 7.4456E-01 -8.6255E+00 O6 4504 15.999400 -0.847600 -1.8543E+01 1.1209E+01 1.3282E+01 H1 4505 1.008000 0.423800 -1.8746E+01 1.0912E+01 1.2349E+01 H2 4506 1.008000 0.423800 -1.8325E+01 1.0412E+01 1.3845E+01 O6 4507 15.999400 -0.847600 -1.1270E+01 -4.4702E+00 -1.7820E+01 H1 4508 1.008000 0.423800 -1.2049E+01 -3.9918E+00 -1.8225E+01 H2 4509 1.008000 0.423800 -1.1596E+01 -5.2683E+00 -1.7313E+01 O6 4510 15.999400 -0.847600 -1.8777E+01 5.0041E-01 3.9865E-02 H1 4511 1.008000 0.423800 -1.8438E+01 -1.5677E-01 7.1290E-01 H2 4512 1.008000 0.423800 -1.8798E+01 7.1802E-02 -8.6338E-01 O6 4513 15.999400 -0.847600 1.5936E+01 -1.7030E+01 -1.4917E+01 H1 4514 1.008000 0.423800 1.5397E+01 -1.6899E+01 -1.4085E+01 H2 4515 1.008000 0.423800 1.5322E+01 -1.7190E+01 -1.5690E+01 O6 4516 15.999400 -0.847600 -1.7293E+01 -2.9173E+00 1.8682E+01 H1 4517 1.008000 0.423800 -1.7685E+01 -2.9995E+00 1.7766E+01 H2 4518 1.008000 0.423800 -1.7189E+01 -1.9503E+00 1.8915E+01 O6 4519 15.999400 -0.847600 2.5925E+00 1.7855E+01 -1.0672E+01 H1 4520 1.008000 0.423800 2.7136E+00 1.8406E+01 -9.8462E+00 H2 4521 1.008000 0.423800 2.9993E+00 1.6952E+01 -1.0532E+01 O6 4522 15.999400 -0.847600 1.8465E+01 1.8248E+01 -1.4685E+01 H1 4523 1.008000 0.423800 1.8224E+01 1.8740E+01 -1.3848E+01 H2 4524 1.008000 0.423800 1.8687E+01 1.7299E+01 -1.4460E+01 O6 4525 15.999400 -0.847600 4.5616E+00 4.0470E+00 -6.6199E-02 H1 4526 1.008000 0.423800 5.4991E+00 4.3912E+00 -1.4905E-02 H2 4527 1.008000 0.423800 3.9724E+00 4.5949E+00 5.2763E-01 O6 4528 15.999400 -0.847600 -1.7321E+01 5.3085E+00 5.7878E+00 H1 4529 1.008000 0.423800 -1.7671E+01 6.1785E+00 5.4410E+00 H2 4530 1.008000 0.423800 -1.6811E+01 4.8426E+00 5.0649E+00 O6 4531 15.999400 -0.847600 -1.4261E+01 -5.9733E+00 8.7318E+00 H1 4532 1.008000 0.423800 -1.3900E+01 -6.8202E+00 8.3419E+00 H2 4533 1.008000 0.423800 -1.5017E+01 -5.6420E+00 8.1664E+00 O6 4534 15.999400 -0.847600 -1.2140E+01 -1.1488E+01 -1.6548E+01 H1 4535 1.008000 0.423800 -1.1277E+01 -1.1752E+01 -1.6119E+01 H2 4536 1.008000 0.423800 -1.2893E+01 -1.1986E+01 -1.6118E+01 O6 4537 15.999400 -0.847600 1.0618E+01 2.1454E+00 -1.2967E+01 H1 4538 1.008000 0.423800 1.0314E+01 2.1190E+00 -1.2015E+01 H2 4539 1.008000 0.423800 1.0338E+01 3.0110E+00 -1.3382E+01 O6 4540 15.999400 -0.847600 5.6531E+00 -6.9332E+00 -1.4572E+01 H1 4541 1.008000 0.423800 4.7878E+00 -6.5971E+00 -1.4943E+01 H2 4542 1.008000 0.423800 5.4751E+00 -7.6975E+00 -1.3952E+01 O6 4543 15.999400 -0.847600 -1.4119E+01 1.4778E+01 -1.5241E+01 H1 4544 1.008000 0.423800 -1.4708E+01 1.4694E+01 -1.4437E+01 H2 4545 1.008000 0.423800 -1.4306E+01 1.5645E+01 -1.5702E+01 O6 4546 15.999400 -0.847600 -1.3297E+01 -7.9346E+00 -6.0427E+00 H1 4547 1.008000 0.423800 -1.2555E+01 -8.3205E+00 -6.5921E+00 H2 4548 1.008000 0.423800 -1.2912E+01 -7.3545E+00 -5.3247E+00 O6 4549 15.999400 -0.847600 1.1753E+00 -1.5744E+01 -1.2482E+01 H1 4550 1.008000 0.423800 1.0379E+00 -1.4932E+01 -1.3050E+01 H2 4551 1.008000 0.423800 1.5852E+00 -1.6471E+01 -1.3033E+01 O6 4552 15.999400 -0.847600 -8.8489E-01 -4.4098E+00 -3.7576E+00 H1 4553 1.008000 0.423800 -8.5022E-01 -5.4053E+00 -3.6694E+00 H2 4554 1.008000 0.423800 -4.1670E-01 -4.1331E+00 -4.5968E+00 O6 4555 15.999400 -0.847600 4.2934E+00 1.1580E+01 1.9037E+01 H1 4556 1.008000 0.423800 3.7623E+00 1.0812E+01 1.9396E+01 H2 4557 1.008000 0.423800 3.6789E+00 1.2340E+01 1.8824E+01 O6 4558 15.999400 -0.847600 -1.0030E+01 1.5666E+01 8.5981E+00 H1 4559 1.008000 0.423800 -1.0322E+01 1.6303E+01 9.3118E+00 H2 4560 1.008000 0.423800 -1.0676E+01 1.4904E+01 8.5477E+00 O6 4561 15.999400 -0.847600 -9.0819E+00 -2.7492E+00 1.5396E+01 H1 4562 1.008000 0.423800 -9.0413E+00 -2.1222E+00 1.4618E+01 H2 4563 1.008000 0.423800 -8.9153E+00 -2.2423E+00 1.6241E+01 O6 4564 15.999400 -0.847600 1.1537E+01 3.1452E+00 -1.1431E+00 H1 4565 1.008000 0.423800 1.1237E+01 2.6631E+00 -1.9664E+00 H2 4566 1.008000 0.423800 1.1907E+01 4.0387E+00 -1.3965E+00 O6 4567 15.999400 -0.847600 8.5909E-01 -1.3469E+01 -4.5403E+00 H1 4568 1.008000 0.423800 1.7806E+00 -1.3080E+01 -4.5467E+00 H2 4569 1.008000 0.423800 8.8157E-01 -1.4387E+01 -4.9364E+00 O6 4570 15.999400 -0.847600 -4.5072E+00 1.5583E+01 1.9063E+01 H1 4571 1.008000 0.423800 -4.4903E+00 1.6342E+01 -1.9383E+01 H2 4572 1.008000 0.423800 -4.8293E+00 1.4756E+01 1.9524E+01 O6 4573 15.999400 -0.847600 1.5263E+01 4.5806E+00 -7.4785E+00 H1 4574 1.008000 0.423800 1.5034E+01 3.7788E+00 -8.0306E+00 H2 4575 1.008000 0.423800 1.6246E+01 4.7550E+00 -7.5352E+00 O6 4576 15.999400 -0.847600 -1.7642E+01 3.4266E+00 1.9118E+01 H1 4577 1.008000 0.423800 -1.6994E+01 3.1381E+00 -1.9275E+01 H2 4578 1.008000 0.423800 -1.8036E+01 4.3108E+00 1.9369E+01 O6 4579 15.999400 -0.847600 -1.8983E+01 -9.8071E+00 1.9056E+00 H1 4580 1.008000 0.423800 1.9535E+01 -9.2192E+00 1.3409E+00 H2 4581 1.008000 0.423800 -1.8911E+01 -1.0710E+01 1.4818E+00 O6 4582 15.999400 -0.847600 -1.0898E+01 -9.6771E+00 1.2369E+01 H1 4583 1.008000 0.423800 -1.0704E+01 -1.0312E+01 1.3117E+01 H2 4584 1.008000 0.423800 -1.1835E+01 -9.3365E+00 1.2456E+01 O6 4585 15.999400 -0.847600 8.9479E+00 2.5467E+00 -1.0767E+01 H1 4586 1.008000 0.423800 7.9734E+00 2.3264E+00 -1.0723E+01 H2 4587 1.008000 0.423800 9.0711E+00 3.5339E+00 -1.0666E+01 O6 4588 15.999400 -0.847600 -2.4854E+00 -1.4879E+01 1.2897E+01 H1 4589 1.008000 0.423800 -1.8668E+00 -1.5455E+01 1.3431E+01 H2 4590 1.008000 0.423800 -1.9516E+00 -1.4228E+01 1.2357E+01 O6 4591 15.999400 -0.847600 -1.4875E+01 -2.8648E+00 -8.9179E+00 H1 4592 1.008000 0.423800 -1.4909E+01 -2.2526E+00 -9.7079E+00 H2 4593 1.008000 0.423800 -1.5801E+01 -3.1662E+00 -8.6897E+00 O6 4594 15.999400 -0.847600 3.7889E+00 -1.5696E+01 6.1371E-01 H1 4595 1.008000 0.423800 4.0816E+00 -1.6398E+01 -3.5938E-02 H2 4596 1.008000 0.423800 3.1698E+00 -1.5057E+01 1.5745E-01 O6 4597 15.999400 -0.847600 1.3959E+01 1.6067E+01 1.1816E+01 H1 4598 1.008000 0.423800 1.4256E+01 1.7019E+01 1.1890E+01 H2 4599 1.008000 0.423800 1.3082E+01 1.6027E+01 1.1338E+01 O6 4600 15.999400 -0.847600 -4.8644E+00 -1.8275E+00 -1.1001E+01 H1 4601 1.008000 0.423800 -5.4076E+00 -1.3499E+00 -1.0310E+01 H2 4602 1.008000 0.423800 -5.4219E+00 -2.5375E+00 -1.1431E+01 O6 4603 15.999400 -0.847600 1.0828E+01 -2.8434E+00 5.7227E+00 H1 4604 1.008000 0.423800 1.0095E+01 -3.4269E+00 5.3728E+00 H2 4605 1.008000 0.423800 1.0475E+01 -2.2765E+00 6.4674E+00 O6 4606 15.999400 -0.847600 -1.0828E+01 -1.9449E+01 1.8417E+01 H1 4607 1.008000 0.423800 -1.1782E+01 1.9528E+01 1.8692E+01 H2 4608 1.008000 0.423800 -1.0275E+01 -1.9229E+01 1.9220E+01 O6 4609 15.999400 -0.847600 8.3512E+00 -7.2885E+00 -1.5117E+01 H1 4610 1.008000 0.423800 8.9112E+00 -6.4715E+00 -1.5255E+01 H2 4611 1.008000 0.423800 7.3841E+00 -7.0341E+00 -1.5121E+01 O6 4612 15.999400 -0.847600 4.9792E+00 -3.5581E+00 -1.1375E+01 H1 4613 1.008000 0.423800 4.7778E+00 -3.5879E+00 -1.2354E+01 H2 4614 1.008000 0.423800 4.3635E+00 -2.9094E+00 -1.0928E+01 O6 4615 15.999400 -0.847600 -1.2259E+01 6.0277E+00 5.4759E+00 H1 4616 1.008000 0.423800 -1.2253E+01 5.9286E+00 4.4808E+00 H2 4617 1.008000 0.423800 -1.1420E+01 6.4852E+00 5.7699E+00 O6 4618 15.999400 -0.847600 -5.7827E+00 3.5750E+00 -1.6303E+01 H1 4619 1.008000 0.423800 -4.8377E+00 3.2485E+00 -1.6322E+01 H2 4620 1.008000 0.423800 -6.2002E+00 3.3346E+00 -1.5426E+01 O6 4621 15.999400 -0.847600 7.8957E+00 -4.3321E-01 -1.5312E+01 H1 4622 1.008000 0.423800 8.8675E+00 -5.9906E-01 -1.5144E+01 H2 4623 1.008000 0.423800 7.3888E+00 -1.2890E+00 -1.5208E+01 O6 4624 15.999400 -0.847600 -9.1117E+00 -1.7013E+00 1.8616E+01 H1 4625 1.008000 0.423800 -9.1959E+00 -8.2736E-01 1.8137E+01 H2 4626 1.008000 0.423800 -9.2877E+00 -1.5654E+00 -1.9506E+01 O6 4627 15.999400 -0.847600 1.8205E+01 -8.3729E-01 1.8343E+01 H1 4628 1.008000 0.423800 1.7498E+01 -1.5161E+00 1.8142E+01 H2 4629 1.008000 0.423800 1.7815E+01 8.0726E-02 1.8271E+01 O6 4630 15.999400 -0.847600 1.3239E+01 -1.4090E+01 -6.4058E+00 H1 4631 1.008000 0.423800 1.3736E+01 -1.4724E+01 -6.9976E+00 H2 4632 1.008000 0.423800 1.2337E+01 -1.4467E+01 -6.1960E+00 O6 4633 15.999400 -0.847600 1.4046E+01 1.7869E+01 4.5980E+00 H1 4634 1.008000 0.423800 1.5013E+01 1.8117E+01 4.5332E+00 H2 4635 1.008000 0.423800 1.3765E+01 1.7873E+01 5.5575E+00 O6 4636 15.999400 -0.847600 1.5666E+01 1.8745E+01 9.3065E-01 H1 4637 1.008000 0.423800 1.4945E+01 1.8179E+01 5.3117E-01 H2 4638 1.008000 0.423800 1.6206E+01 1.8196E+01 1.5689E+00 O6 4639 15.999400 -0.847600 1.5278E+01 4.1587E+00 9.0296E+00 H1 4640 1.008000 0.423800 1.6265E+01 4.0053E+00 8.9841E+00 H2 4641 1.008000 0.423800 1.4928E+01 3.8215E+00 9.9037E+00 O6 4642 15.999400 -0.847600 5.3994E+00 -1.8863E+01 -4.8993E+00 H1 4643 1.008000 0.423800 5.1788E+00 -1.9528E+01 -5.6122E+00 H2 4644 1.008000 0.423800 6.2654E+00 -1.9113E+01 -4.4662E+00 O6 4645 15.999400 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5.3910E+00 1.3682E+01 5.3320E+00 H2 4662 1.008000 0.423800 6.2668E+00 1.5035E+01 5.0660E+00 O6 4663 15.999400 -0.847600 1.8018E+01 -1.5718E+01 4.4814E+00 H1 4664 1.008000 0.423800 1.7931E+01 -1.4771E+01 4.1705E+00 H2 4665 1.008000 0.423800 1.7191E+01 -1.5983E+01 4.9773E+00 O6 4666 15.999400 -0.847600 -1.0697E+01 -1.2231E+01 -2.4525E+00 H1 4667 1.008000 0.423800 -1.0893E+01 -1.3104E+01 -2.0063E+00 H2 4668 1.008000 0.423800 -1.1328E+01 -1.2097E+01 -3.2164E+00 O6 4669 15.999400 -0.847600 -1.9339E+01 -1.9487E+01 3.5804E+00 H1 4670 1.008000 0.423800 -1.9048E+01 1.9459E+01 4.5252E+00 H2 4671 1.008000 0.423800 -1.8923E+01 1.8919E+01 2.9892E+00 O6 4672 15.999400 -0.847600 -1.2178E-03 1.3220E+00 6.1912E+00 H1 4673 1.008000 0.423800 -7.1167E-01 1.0318E+00 5.5501E+00 H2 4674 1.008000 0.423800 -4.2778E-01 1.6736E+00 7.0245E+00 O6 4675 15.999400 -0.847600 -1.2034E+01 -1.6288E+01 1.1183E+01 H1 4676 1.008000 0.423800 -1.2155E+01 -1.5609E+01 1.1907E+01 H2 4677 1.008000 0.423800 -1.1571E+01 -1.5866E+01 1.0404E+01 O6 4678 15.999400 -0.847600 -4.6345E+00 -5.8054E+00 -1.8347E+01 H1 4679 1.008000 0.423800 -4.9698E+00 -5.6201E+00 -1.7424E+01 H2 4680 1.008000 0.423800 -4.9652E+00 -6.6997E+00 -1.8649E+01 O6 4681 15.999400 -0.847600 1.7934E+01 7.6699E+00 -1.2818E+01 H1 4682 1.008000 0.423800 1.7813E+01 7.4261E+00 -1.3781E+01 H2 4683 1.008000 0.423800 1.7134E+01 8.1783E+00 -1.2500E+01 O6 4684 15.999400 -0.847600 -4.7226E+00 -1.3277E+01 4.1616E+00 H1 4685 1.008000 0.423800 -4.8116E+00 -1.2702E+01 4.9750E+00 H2 4686 1.008000 0.423800 -4.8958E+00 -1.4231E+01 4.4069E+00 O6 4687 15.999400 -0.847600 5.6935E+00 -6.3772E-01 -3.1902E+00 H1 4688 1.008000 0.423800 6.4393E+00 -1.9312E-01 -2.6941E+00 H2 4689 1.008000 0.423800 5.5700E+00 -1.9128E-01 -4.0764E+00 O6 4690 15.999400 -0.847600 1.9381E+01 6.3950E+00 7.9899E+00 H1 4691 1.008000 0.423800 1.8544E+01 6.9415E+00 7.9842E+00 H2 4692 1.008000 0.423800 1.9146E+01 5.4258E+00 8.0638E+00 O6 4693 15.999400 -0.847600 3.4146E+00 3.9417E+00 1.6726E+01 H1 4694 1.008000 0.423800 2.6634E+00 4.4663E+00 1.7126E+01 H2 4695 1.008000 0.423800 3.2371E+00 2.9643E+00 1.6841E+01 O6 4696 15.999400 -0.847600 -1.4235E+01 1.7991E+01 -1.5258E+01 H1 4697 1.008000 0.423800 -1.3870E+01 1.8694E+01 -1.5868E+01 H2 4698 1.008000 0.423800 -1.5229E+01 1.8084E+01 -1.5200E+01 O6 4699 15.999400 -0.847600 -3.5037E+00 1.6907E+01 -1.0944E+01 H1 4700 1.008000 0.423800 -3.1908E+00 1.6348E+01 -1.1713E+01 H2 4701 1.008000 0.423800 -2.7317E+00 1.7420E+01 -1.0569E+01 O6 4702 15.999400 -0.847600 1.2052E+01 8.0742E+00 -7.8426E+00 H1 4703 1.008000 0.423800 1.2265E+01 9.0512E+00 -7.8381E+00 H2 4704 1.008000 0.423800 1.2617E+01 7.6067E+00 -7.1627E+00 O6 4705 15.999400 -0.847600 1.6421E+01 -1.4134E+01 1.5939E+01 H1 4706 1.008000 0.423800 1.6007E+01 -1.3983E+01 1.6836E+01 H2 4707 1.008000 0.423800 1.5784E+01 -1.4641E+01 1.5359E+01 O6 4708 15.999400 -0.847600 -1.5663E+01 1.7218E+01 -6.3948E+00 H1 4709 1.008000 0.423800 -1.5738E+01 1.6239E+01 -6.5819E+00 H2 4710 1.008000 0.423800 -1.6131E+01 1.7731E+01 -7.1141E+00 O6 4711 15.999400 -0.847600 7.1080E+00 -1.7220E+01 1.0618E+01 H1 4712 1.008000 0.423800 7.5664E+00 -1.6585E+01 1.1239E+01 H2 4713 1.008000 0.423800 6.4540E+00 -1.6719E+01 1.0051E+01 O6 4714 15.999400 -0.847600 -4.7399E-01 2.8051E+00 1.8297E+01 H1 4715 1.008000 0.423800 -4.8170E-02 2.5830E+00 1.9174E+01 H2 4716 1.008000 0.423800 9.3495E-02 2.4533E+00 1.7552E+01 O6 4717 15.999400 -0.847600 8.0549E+00 1.8588E+01 1.3719E+01 H1 4718 1.008000 0.423800 7.9068E+00 1.7832E+01 1.4356E+01 H2 4719 1.008000 0.423800 7.1721E+00 1.8960E+01 1.3432E+01 O6 4720 15.999400 -0.847600 -1.2552E+01 7.6401E+00 -1.2058E+01 H1 4721 1.008000 0.423800 -1.1858E+01 8.0411E+00 -1.2656E+01 H2 4722 1.008000 0.423800 -1.2645E+01 8.1989E+00 -1.1234E+01 O6 4723 15.999400 -0.847600 -1.5871E+01 1.6443E+01 -1.6690E+00 H1 4724 1.008000 0.423800 -1.5850E+01 1.6805E+01 -2.6012E+00 H2 4725 1.008000 0.423800 -1.6803E+01 1.6160E+01 -1.4423E+00 O6 4726 15.999400 -0.847600 1.7949E+01 -1.7014E+01 1.5794E+01 H1 4727 1.008000 0.423800 1.8907E+01 -1.6855E+01 1.6033E+01 H2 4728 1.008000 0.423800 1.7568E+01 -1.6188E+01 1.5377E+01 O6 4729 15.999400 -0.847600 -1.5815E+01 -4.2645E+00 1.3546E+01 H1 4730 1.008000 0.423800 -1.4999E+01 -4.0188E+00 1.4070E+01 H2 4731 1.008000 0.423800 -1.6097E+01 -5.1938E+00 1.3785E+01 O6 4732 15.999400 -0.847600 1.8005E+01 4.8855E+00 -7.8599E+00 H1 4733 1.008000 0.423800 1.8782E+01 4.3835E+00 -7.4811E+00 H2 4734 1.008000 0.423800 1.8202E+01 5.8657E+00 -7.8461E+00 O6 4735 15.999400 -0.847600 1.7608E+01 6.9438E-01 5.1846E+00 H1 4736 1.008000 0.423800 1.7796E+01 -7.1034E-02 4.5693E+00 H2 4737 1.008000 0.423800 1.6984E+01 3.9546E-01 5.9071E+00 O6 4738 15.999400 -0.847600 -2.2082E+00 1.8965E+01 1.4101E+01 H1 4739 1.008000 0.423800 -1.7946E+00 1.8147E+01 1.4500E+01 H2 4740 1.008000 0.423800 -2.4895E+00 1.8772E+01 1.3161E+01 O6 4741 15.999400 -0.847600 1.2589E+01 1.2644E+01 -9.7774E+00 H1 4742 1.008000 0.423800 1.2500E+01 1.3640E+01 -9.7653E+00 H2 4743 1.008000 0.423800 1.3549E+01 1.2397E+01 -9.9070E+00 O6 4744 15.999400 -0.847600 1.1577E+01 -5.2255E+00 -4.7508E+00 H1 4745 1.008000 0.423800 1.1262E+01 -6.1738E+00 -4.7097E+00 H2 4746 1.008000 0.423800 1.1642E+01 -4.9370E+00 -5.7061E+00 O6 4747 15.999400 -0.847600 -1.9120E+01 1.9268E+01 1.5407E+01 H1 4748 1.008000 0.423800 -1.9399E+01 -1.9379E+01 1.6255E+01 H2 4749 1.008000 0.423800 1.9498E+01 1.8394E+01 1.5322E+01 O6 4750 15.999400 -0.847600 1.0858E+01 -1.8418E+01 -3.8777E+00 H1 4751 1.008000 0.423800 1.0621E+01 -1.7522E+01 -3.5028E+00 H2 4752 1.008000 0.423800 1.1411E+01 -1.8922E+01 -3.2133E+00 O6 4753 15.999400 -0.847600 -1.7058E+01 1.9321E+01 5.5597E+00 H1 4754 1.008000 0.423800 -1.7041E+01 -1.9046E+01 4.8767E+00 H2 4755 1.008000 0.423800 -1.6225E+01 1.8774E+01 5.4836E+00 O6 4756 15.999400 -0.847600 -6.7615E+00 1.1428E+01 -5.1645E-01 H1 4757 1.008000 0.423800 -7.5108E+00 1.2082E+01 -6.2109E-01 H2 4758 1.008000 0.423800 -7.1358E+00 1.0518E+01 -3.3912E-01 O6 4759 15.999400 -0.847600 -4.3963E+00 1.1207E+01 -2.9946E+00 H1 4760 1.008000 0.423800 -3.8510E+00 1.1961E+01 -3.3596E+00 H2 4761 1.008000 0.423800 -4.1870E+00 1.1083E+01 -2.0246E+00 O6 4762 15.999400 -0.847600 7.7331E+00 -1.6889E+01 1.8337E+01 H1 4763 1.008000 0.423800 8.1081E+00 -1.7197E+01 1.9211E+01 H2 4764 1.008000 0.423800 7.1781E+00 -1.6070E+01 1.8483E+01 O6 4765 15.999400 -0.847600 -2.4552E+00 -3.1545E+00 -7.6481E+00 H1 4766 1.008000 0.423800 -1.5841E+00 -3.3688E+00 -7.2063E+00 H2 4767 1.008000 0.423800 -3.2061E+00 -3.5251E+00 -7.1015E+00 O6 4768 15.999400 -0.847600 -1.5196E+01 -2.6118E+00 -4.6721E+00 H1 4769 1.008000 0.423800 -1.5525E+01 -3.5439E+00 -4.5211E+00 H2 4770 1.008000 0.423800 -1.5957E+01 -2.0330E+00 -4.9656E+00 O6 4771 15.999400 -0.847600 -1.4466E+01 -1.9077E+01 1.2014E+01 H1 4772 1.008000 0.423800 -1.5193E+01 -1.8606E+01 1.1514E+01 H2 4773 1.008000 0.423800 -1.4861E+01 1.9274E+01 1.2550E+01 O6 4774 15.999400 -0.847600 -8.5617E+00 8.2945E+00 -2.9194E+00 H1 4775 1.008000 0.423800 -8.7582E+00 8.9559E+00 -3.6433E+00 H2 4776 1.008000 0.423800 -8.7965E+00 8.6919E+00 -2.0323E+00 O6 4777 15.999400 -0.847600 5.3328E+00 -6.5037E+00 8.5589E+00 H1 4778 1.008000 0.423800 5.8273E+00 -7.3722E+00 8.5233E+00 H2 4779 1.008000 0.423800 4.4212E+00 -6.6228E+00 8.1655E+00 O6 4780 15.999400 -0.847600 -1.7316E+01 -1.7432E+01 -6.6064E-01 H1 4781 1.008000 0.423800 -1.7989E+01 -1.7702E+01 2.8404E-02 H2 4782 1.008000 0.423800 -1.6444E+01 -1.7882E+01 -4.6981E-01 O6 4783 15.999400 -0.847600 7.5634E+00 -7.0630E+00 1.5274E+01 H1 4784 1.008000 0.423800 6.6175E+00 -6.8339E+00 1.5045E+01 H2 4785 1.008000 0.423800 8.0253E+00 -6.2514E+00 1.5632E+01 O6 4786 15.999400 -0.847600 -1.5532E+00 -1.5538E+01 1.2556E+00 H1 4787 1.008000 0.423800 -9.6439E-01 -1.6302E+01 9.9399E-01 H2 4788 1.008000 0.423800 -1.1019E+00 -1.4676E+01 1.0248E+00 O6 4789 15.999400 -0.847600 1.1877E+01 8.7679E+00 2.2559E+00 H1 4790 1.008000 0.423800 1.1243E+01 9.5355E+00 2.1654E+00 H2 4791 1.008000 0.423800 1.2373E+01 8.6421E+00 1.3965E+00 O6 4792 15.999400 -0.847600 5.2998E+00 -5.8564E+00 1.2229E+01 H1 4793 1.008000 0.423800 4.6288E+00 -6.3137E+00 1.1646E+01 H2 4794 1.008000 0.423800 5.2473E+00 -4.8681E+00 1.2086E+01 O6 4795 15.999400 -0.847600 -7.3173E+00 -1.8674E+01 -1.5015E+01 H1 4796 1.008000 0.423800 -8.2863E+00 -1.8903E+01 -1.5109E+01 H2 4797 1.008000 0.423800 -7.1934E+00 -1.8064E+01 -1.4233E+01 O6 4798 15.999400 -0.847600 1.6392E+01 -9.9117E+00 1.5137E+01 H1 4799 1.008000 0.423800 1.6638E+01 -1.0869E+01 1.4983E+01 H2 4800 1.008000 0.423800 1.7209E+01 -9.3951E+00 1.5393E+01 O6 4801 15.999400 -0.847600 1.0075E+01 1.5238E+01 1.5282E+01 H1 4802 1.008000 0.423800 1.0584E+01 1.4717E+01 1.5967E+01 H2 4803 1.008000 0.423800 9.1297E+00 1.5354E+01 1.5586E+01 O6 4804 15.999400 -0.847600 5.6089E+00 1.8623E+01 5.6893E+00 H1 4805 1.008000 0.423800 5.9203E+00 1.9385E+01 6.2565E+00 H2 4806 1.008000 0.423800 6.3035E+00 1.8414E+01 5.0008E+00 O6 4807 15.999400 -0.847600 3.5423E+00 1.2457E-01 -1.5802E+01 H1 4808 1.008000 0.423800 3.0556E+00 3.0323E-01 -1.4947E+01 H2 4809 1.008000 0.423800 2.9643E+00 3.8540E-01 -1.6575E+01 O6 4810 15.999400 -0.847600 -1.1643E+01 7.7182E+00 1.0819E+01 H1 4811 1.008000 0.423800 -1.1196E+01 8.2394E+00 1.0092E+01 H2 4812 1.008000 0.423800 -1.2597E+01 8.0069E+00 1.0898E+01 O6 4813 15.999400 -0.847600 -1.4415E+01 8.3424E+00 1.0338E+01 H1 4814 1.008000 0.423800 -1.5246E+01 8.5166E+00 1.0867E+01 H2 4815 1.008000 0.423800 -1.4166E+01 9.1655E+00 9.8278E+00 O6 4816 15.999400 -0.847600 1.6630E+01 1.8634E+01 1.8817E+01 H1 4817 1.008000 0.423800 1.6325E+01 1.9270E+01 1.8108E+01 H2 4818 1.008000 0.423800 1.6030E+01 1.8711E+01 -1.9484E+01 O6 4819 15.999400 -0.847600 -1.8710E+01 -3.5409E+00 1.6582E+01 H1 4820 1.008000 0.423800 -1.8677E+01 -3.1975E+00 1.5643E+01 H2 4821 1.008000 0.423800 1.9436E+01 -3.7023E+00 1.6844E+01 O6 4822 15.999400 -0.847600 -2.6686E+00 -1.5561E+01 3.8597E+00 H1 4823 1.008000 0.423800 -2.3020E+00 -1.4732E+01 3.4385E+00 H2 4824 1.008000 0.423800 -3.1641E+00 -1.6093E+01 3.1726E+00 O6 4825 15.999400 -0.847600 1.5028E+01 -7.0107E+00 -6.7335E+00 H1 4826 1.008000 0.423800 1.4882E+01 -6.2230E+00 -6.1348E+00 H2 4827 1.008000 0.423800 1.5873E+01 -7.4766E+00 -6.4714E+00 O6 4828 15.999400 -0.847600 2.7211E+00 9.0345E+00 -6.4949E+00 H1 4829 1.008000 0.423800 3.6216E+00 9.4477E+00 -6.3591E+00 H2 4830 1.008000 0.423800 2.7407E+00 8.0837E+00 -6.1855E+00 O6 4831 15.999400 -0.847600 9.3430E+00 -1.3526E+01 -1.6143E+01 H1 4832 1.008000 0.423800 1.0019E+01 -1.2801E+01 -1.6009E+01 H2 4833 1.008000 0.423800 9.7187E+00 -1.4396E+01 -1.5824E+01 O6 4834 15.999400 -0.847600 -1.1819E+01 -1.2135E+00 6.0370E-01 H1 4835 1.008000 0.423800 -1.1895E+01 -2.0899E+00 1.2811E-01 H2 4836 1.008000 0.423800 -1.2708E+01 -9.6537E-01 9.8924E-01 O6 4837 15.999400 -0.847600 -1.8104E+01 9.4545E+00 1.9802E+00 H1 4838 1.008000 0.423800 -1.8499E+01 1.0077E+01 1.3046E+00 H2 4839 1.008000 0.423800 -1.8785E+01 8.7695E+00 2.2401E+00 O6 4840 15.999400 -0.847600 -1.6432E+01 -1.0420E+01 -7.9986E+00 H1 4841 1.008000 0.423800 -1.5507E+01 -1.0604E+01 -8.3307E+00 H2 4842 1.008000 0.423800 -1.6506E+01 -1.0707E+01 -7.0435E+00 O6 4843 15.999400 -0.847600 -3.1995E+00 1.4123E+01 -3.3971E+00 H1 4844 1.008000 0.423800 -3.0077E+00 1.3658E+01 -4.2617E+00 H2 4845 1.008000 0.423800 -3.6061E+00 1.5017E+01 -3.5823E+00 O6 4846 15.999400 -0.847600 6.3657E+00 1.5426E+01 -1.7049E+01 H1 4847 1.008000 0.423800 6.2216E+00 1.4497E+01 -1.7390E+01 H2 4848 1.008000 0.423800 5.5384E+00 1.5744E+01 -1.6586E+01 O6 4849 15.999400 -0.847600 1.4472E+01 -1.1858E+01 -1.0975E+01 H1 4850 1.008000 0.423800 1.3612E+01 -1.1898E+01 -1.0467E+01 H2 4851 1.008000 0.423800 1.5182E+01 -1.1453E+01 -1.0398E+01 O6 4852 15.999400 -0.847600 -2.0522E+00 -1.4387E+01 1.6602E+01 H1 4853 1.008000 0.423800 -1.9477E+00 -1.5051E+01 1.5861E+01 H2 4854 1.008000 0.423800 -2.9609E+00 -1.4482E+01 1.7009E+01 O6 4855 15.999400 -0.847600 -1.6102E+01 7.7566E+00 4.2253E+00 H1 4856 1.008000 0.423800 -1.5965E+01 7.1433E+00 3.4473E+00 H2 4857 1.008000 0.423800 -1.7078E+01 7.8192E+00 4.4327E+00 O6 4858 15.999400 -0.847600 7.0429E+00 1.3633E+01 1.1359E+01 H1 4859 1.008000 0.423800 6.2942E+00 1.3165E+01 1.1830E+01 H2 4860 1.008000 0.423800 6.7203E+00 1.4513E+01 1.1012E+01 O6 4861 15.999400 -0.847600 -1.7699E+01 -8.9841E+00 1.8689E+01 H1 4862 1.008000 0.423800 -1.7500E+01 -9.4190E+00 1.7811E+01 H2 4863 1.008000 0.423800 -1.6979E+01 -8.3239E+00 1.8905E+01 O6 4864 15.999400 -0.847600 1.3856E+01 4.2654E-01 3.2843E+00 H1 4865 1.008000 0.423800 1.4546E+01 3.2815E-01 2.5669E+00 H2 4866 1.008000 0.423800 1.3700E+01 1.3975E+00 3.4656E+00 O6 4867 15.999400 -0.847600 1.4346E+01 -5.9743E+00 -2.0586E+00 H1 4868 1.008000 0.423800 1.4609E+01 -5.6594E+00 -2.9707E+00 H2 4869 1.008000 0.423800 1.3782E+01 -5.2778E+00 -1.6152E+00 O6 4870 15.999400 -0.847600 1.5141E+01 -7.1585E+00 -1.7902E+01 H1 4871 1.008000 0.423800 1.6035E+01 -7.5534E+00 -1.8111E+01 H2 4872 1.008000 0.423800 1.4879E+01 -7.4026E+00 -1.6968E+01 O6 4873 15.999400 -0.847600 -1.4866E+01 1.4204E+01 6.4674E-01 H1 4874 1.008000 0.423800 -1.3895E+01 1.4193E+01 8.8494E-01 H2 4875 1.008000 0.423800 -1.5076E+01 1.5042E+01 1.4233E-01 O6 4876 15.999400 -0.847600 2.0067E+00 -1.2665E+01 1.7211E+01 H1 4877 1.008000 0.423800 2.5171E+00 -1.2291E+01 1.7985E+01 H2 4878 1.008000 0.423800 2.5561E+00 -1.2585E+01 1.6379E+01 O6 4879 15.999400 -0.847600 -1.4427E+01 -1.1160E+01 1.6599E+01 H1 4880 1.008000 0.423800 -1.4359E+01 -1.1409E+01 1.7565E+01 H2 4881 1.008000 0.423800 -1.4054E+01 -1.1898E+01 1.6037E+01 O6 4882 15.999400 -0.847600 -1.7650E+01 -4.9891E-01 9.0005E+00 H1 4883 1.008000 0.423800 -1.7370E+01 -1.4494E+00 8.8662E+00 H2 4884 1.008000 0.423800 -1.7189E+01 -1.2590E-01 9.8054E+00 O6 4885 15.999400 -0.847600 -9.5155E+00 -1.8740E+01 -1.7809E+01 H1 4886 1.008000 0.423800 -8.8427E+00 -1.9331E+01 -1.8253E+01 H2 4887 1.008000 0.423800 -9.6800E+00 -1.9064E+01 -1.6877E+01 O6 4888 15.999400 -0.847600 1.2869E+01 -8.5051E+00 -3.2049E+00 H1 4889 1.008000 0.423800 1.3121E+01 -7.5421E+00 -3.1096E+00 H2 4890 1.008000 0.423800 1.2120E+01 -8.5898E+00 -3.8616E+00 O6 4891 15.999400 -0.847600 -1.0076E+01 -9.9102E+00 3.0817E+00 H1 4892 1.008000 0.423800 -1.0013E+01 -9.3461E+00 2.2584E+00 H2 4893 1.008000 0.423800 -1.1022E+01 -9.9210E+00 3.4060E+00 O6 4894 15.999400 -0.847600 7.1360E+00 -4.6112E+00 -1.3558E+01 H1 4895 1.008000 0.423800 7.5743E+00 -4.5741E+00 -1.2660E+01 H2 4896 1.008000 0.423800 6.5255E+00 -5.4021E+00 -1.3599E+01 O6 4897 15.999400 -0.847600 1.0475E+01 1.8564E+01 -5.5095E+00 H1 4898 1.008000 0.423800 1.1267E+01 1.8666E+01 -6.1120E+00 H2 4899 1.008000 0.423800 1.0463E+01 1.9312E+01 -4.8458E+00 O6 4900 15.999400 -0.847600 1.4456E+00 -1.8426E+01 1.3001E+01 H1 4901 1.008000 0.423800 4.5634E-01 -1.8319E+01 1.3101E+01 H2 4902 1.008000 0.423800 1.7846E+00 -1.9055E+01 1.3700E+01 O6 4903 15.999400 -0.847600 2.7491E+00 -1.8235E+01 -1.2116E+01 H1 4904 1.008000 0.423800 2.5911E+00 -1.8333E+01 -1.3098E+01 H2 4905 1.008000 0.423800 2.1584E+00 -1.8871E+01 -1.1619E+01 O6 4906 15.999400 -0.847600 -8.8102E+00 -1.2319E+01 3.0444E+00 H1 4907 1.008000 0.423800 -8.7431E+00 -1.2759E+01 3.9401E+00 H2 4908 1.008000 0.423800 -9.1602E+00 -1.1389E+01 3.1551E+00 O6 4909 15.999400 -0.847600 6.0574E-01 -6.6275E+00 -4.4651E+00 H1 4910 1.008000 0.423800 1.5153E+00 -6.4466E+00 -4.8392E+00 H2 4911 1.008000 0.423800 -2.2534E-02 -6.8513E+00 -5.2102E+00 O6 4912 15.999400 -0.847600 8.7611E-02 -1.0676E+01 1.1392E+01 H1 4913 1.008000 0.423800 -7.4639E-01 -1.0218E+01 1.1084E+01 H2 4914 1.008000 0.423800 7.5473E-01 -1.0690E+01 1.0647E+01 O6 4915 15.999400 -0.847600 4.3065E+00 3.7802E+00 -1.2382E+01 H1 4916 1.008000 0.423800 3.7698E+00 3.3651E+00 -1.3116E+01 H2 4917 1.008000 0.423800 4.0196E+00 3.3989E+00 -1.1503E+01 O6 4918 15.999400 -0.847600 -5.7016E+00 -1.1016E+01 -2.1746E+00 H1 4919 1.008000 0.423800 -4.8054E+00 -1.1188E+01 -2.5840E+00 H2 4920 1.008000 0.423800 -5.6241E+00 -1.0285E+01 -1.4967E+00 O6 4921 15.999400 -0.847600 1.9357E+01 -1.4399E+01 9.2080E-01 H1 4922 1.008000 0.423800 -1.8996E+01 -1.4954E+01 1.2925E+00 H2 4923 1.008000 0.423800 1.8911E+01 -1.3900E+01 1.6635E+00 O6 4924 15.999400 -0.847600 1.6917E+01 -1.2452E+01 1.3981E+01 H1 4925 1.008000 0.423800 1.7906E+01 -1.2533E+01 1.4104E+01 H2 4926 1.008000 0.423800 1.6455E+01 -1.3144E+01 1.4536E+01 O6 4927 15.999400 -0.847600 -8.8178E+00 2.8667E+00 4.5134E-01 H1 4928 1.008000 0.423800 -8.2520E+00 3.5431E+00 -2.0191E-02 H2 4929 1.008000 0.423800 -8.2340E+00 2.2674E+00 9.9900E-01 O6 4930 15.999400 -0.847600 1.1033E+01 8.3606E+00 8.8995E+00 H1 4931 1.008000 0.423800 1.1665E+01 8.8344E+00 8.2859E+00 H2 4932 1.008000 0.423800 1.1551E+01 7.9011E+00 9.6210E+00 O6 4933 15.999400 -0.847600 -5.7251E+00 -1.8401E+01 1.1034E+01 H1 4934 1.008000 0.423800 -6.1621E+00 -1.9201E+01 1.0621E+01 H2 4935 1.008000 0.423800 -5.3268E+00 -1.8657E+01 1.1915E+01 O6 4936 15.999400 -0.847600 -1.6262E+01 1.9295E+01 1.5625E+01 H1 4937 1.008000 0.423800 -1.7241E+01 1.9191E+01 1.5450E+01 H2 4938 1.008000 0.423800 -1.5749E+01 1.8673E+01 1.5033E+01 O6 4939 15.999400 -0.847600 7.5132E+00 1.0276E+01 -1.2544E+01 H1 4940 1.008000 0.423800 6.7310E+00 1.0292E+01 -1.1922E+01 H2 4941 1.008000 0.423800 7.7897E+00 1.1213E+01 -1.2757E+01 O6 4942 15.999400 -0.847600 8.1672E+00 -1.0868E+01 1.2444E+01 H1 4943 1.008000 0.423800 8.3864E+00 -9.9583E+00 1.2796E+01 H2 4944 1.008000 0.423800 7.8414E+00 -1.1446E+01 1.3193E+01 O6 4945 15.999400 -0.847600 1.0678E+01 -1.2959E+01 3.3552E+00 H1 4946 1.008000 0.423800 1.1191E+01 -1.2156E+01 3.0505E+00 H2 4947 1.008000 0.423800 9.9797E+00 -1.2678E+01 4.0132E+00 O6 4948 15.999400 -0.847600 1.0363E-01 -4.4380E+00 4.7921E+00 H1 4949 1.008000 0.423800 8.9270E-01 -3.8846E+00 5.0587E+00 H2 4950 1.008000 0.423800 -2.5561E-01 -4.9146E+00 5.5944E+00 O6 4951 15.999400 -0.847600 -1.5558E+01 -1.6173E+01 -1.8038E+01 H1 4952 1.008000 0.423800 -1.5779E+01 -1.6999E+01 -1.7520E+01 H2 4953 1.008000 0.423800 -1.5583E+01 -1.5381E+01 -1.7428E+01 O6 4954 15.999400 -0.847600 -1.2708E+01 -1.0009E+01 3.6124E+00 H1 4955 1.008000 0.423800 -1.3083E+01 -9.1874E+00 3.1826E+00 H2 4956 1.008000 0.423800 -1.3218E+01 -1.0210E+01 4.4487E+00 O6 4957 15.999400 -0.847600 -1.6162E+01 -1.3615E+01 1.3737E+01 H1 4958 1.008000 0.423800 -1.5243E+01 -1.3410E+01 1.4072E+01 H2 4959 1.008000 0.423800 -1.6181E+01 -1.4541E+01 1.3361E+01 O6 4960 15.999400 -0.847600 -3.8699E+00 4.7281E+00 1.4765E+01 H1 4961 1.008000 0.423800 -3.8217E+00 3.7757E+00 1.4464E+01 H2 4962 1.008000 0.423800 -4.7479E+00 4.8912E+00 1.5215E+01 O6 4963 15.999400 -0.847600 5.7726E+00 -1.9091E+01 1.2589E+01 H1 4964 1.008000 0.423800 5.0199E+00 -1.8508E+01 1.2895E+01 H2 4965 1.008000 0.423800 6.1736E+00 -1.8709E+01 1.1757E+01 O6 4966 15.999400 -0.847600 3.7414E+00 1.8878E+01 -8.4590E+00 H1 4967 1.008000 0.423800 3.7464E+00 1.8365E+01 -7.6004E+00 H2 4968 1.008000 0.423800 4.6019E+00 1.8723E+01 -8.9444E+00 O6 4969 15.999400 -0.847600 9.0325E+00 1.6691E+01 -9.1871E+00 H1 4970 1.008000 0.423800 9.7496E+00 1.7260E+01 -9.5892E+00 H2 4971 1.008000 0.423800 8.6155E+00 1.7175E+01 -8.4175E+00 O6 4972 15.999400 -0.847600 1.1488E+01 -1.7301E+01 -8.3544E+00 H1 4973 1.008000 0.423800 1.0764E+01 -1.6884E+01 -7.8054E+00 H2 4974 1.008000 0.423800 1.1143E+01 -1.7489E+01 -9.2739E+00 O6 4975 15.999400 -0.847600 -4.4128E+00 6.6896E+00 -1.6603E+01 H1 4976 1.008000 0.423800 -4.6219E+00 6.7007E+00 -1.7581E+01 H2 4977 1.008000 0.423800 -4.4567E+00 7.6212E+00 -1.6243E+01 O6 4978 15.999400 -0.847600 -1.6204E+01 2.9509E+00 -1.3946E+01 H1 4979 1.008000 0.423800 -1.6803E+01 3.7117E+00 -1.3696E+01 H2 4980 1.008000 0.423800 -1.6618E+01 2.4336E+00 -1.4695E+01 O6 4981 15.999400 -0.847600 1.4626E+01 2.7497E+00 1.8669E+01 H1 4982 1.008000 0.423800 1.5231E+01 2.3708E+00 1.9370E+01 H2 4983 1.008000 0.423800 1.4047E+01 3.4561E+00 1.9076E+01 O6 4984 15.999400 -0.847600 9.8675E+00 3.1796E-01 1.9293E+01 H1 4985 1.008000 0.423800 1.0771E+01 2.0260E-01 1.8880E+01 H2 4986 1.008000 0.423800 9.6639E+00 1.2929E+00 1.9383E+01 O6 4987 15.999400 -0.847600 -2.4879E+00 -1.0718E+00 -1.1438E+01 H1 4988 1.008000 0.423800 -3.4113E+00 -1.4370E+00 -1.1320E+01 H2 4989 1.008000 0.423800 -2.1076E+00 -8.3196E-01 -1.0545E+01 O6 4990 15.999400 -0.847600 -8.5300E+00 -1.7187E+01 -9.4056E+00 H1 4991 1.008000 0.423800 -8.0071E+00 -1.7856E+01 -8.8765E+00 H2 4992 1.008000 0.423800 -9.3582E+00 -1.7619E+01 -9.7626E+00 O6 4993 15.999400 -0.847600 -1.6032E+01 -2.6880E+00 9.3061E+00 H1 4994 1.008000 0.423800 -1.6106E+01 -3.5622E+00 8.8261E+00 H2 4995 1.008000 0.423800 -1.5858E+01 -2.8543E+00 1.0277E+01 O6 4996 15.999400 -0.847600 -6.2683E+00 -1.1833E+01 1.9995E+00 H1 4997 1.008000 0.423800 -7.2574E+00 -1.1855E+01 2.1454E+00 H2 4998 1.008000 0.423800 -5.8440E+00 -1.2603E+01 2.4764E+00 O6 4999 15.999400 -0.847600 -1.6087E+00 -1.8386E+01 1.6501E+01 H1 5000 1.008000 0.423800 -1.9674E+00 -1.8627E+01 1.7402E+01 H2 5001 1.008000 0.423800 -1.7736E+00 -1.9139E+01 1.5864E+01 O6 5002 15.999400 -0.847600 5.8623E+00 1.2657E+01 -1.7978E+01 H1 5003 1.008000 0.423800 5.4459E+00 1.2592E+01 -1.8885E+01 H2 5004 1.008000 0.423800 5.4052E+00 1.2023E+01 -1.7355E+01 O6 5005 15.999400 -0.847600 -8.7975E+00 -1.3342E+01 5.7297E+00 H1 5006 1.008000 0.423800 -9.6102E+00 -1.3884E+01 5.9422E+00 H2 5007 1.008000 0.423800 -8.4103E+00 -1.2976E+01 6.5761E+00 O6 5008 15.999400 -0.847600 9.4130E+00 -1.8694E+01 1.0550E+01 H1 5009 1.008000 0.423800 8.5557E+00 -1.8457E+01 1.0093E+01 H2 5010 1.008000 0.423800 9.4375E+00 -1.8268E+01 1.1454E+01 O6 5011 15.999400 -0.847600 1.9136E+01 -1.0917E+01 -1.0370E+01 H1 5012 1.008000 0.423800 1.9128E+01 -1.1302E+01 -1.1293E+01 H2 5013 1.008000 0.423800 -1.9161E+01 -1.0328E+01 -1.0261E+01 O6 5014 15.999400 -0.847600 -1.3171E+01 1.7604E+01 1.6795E+01 H1 5015 1.008000 0.423800 -1.2691E+01 1.7050E+01 1.7475E+01 H2 5016 1.008000 0.423800 -1.2876E+01 1.8556E+01 1.6871E+01 O6 5017 15.999400 -0.847600 5.7621E+00 -3.9629E+00 9.2919E+00 H1 5018 1.008000 0.423800 5.5430E+00 -3.3311E+00 8.5483E+00 H2 5019 1.008000 0.423800 5.8798E+00 -4.8846E+00 8.9223E+00 O6 5020 15.999400 -0.847600 -1.3394E+01 -4.0692E+00 1.4752E+01 H1 5021 1.008000 0.423800 -1.3363E+01 -4.9330E+00 1.5255E+01 H2 5022 1.008000 0.423800 -1.2505E+01 -3.8981E+00 1.4328E+01 O6 5023 15.999400 -0.847600 -1.2808E+01 -8.7040E+00 -1.7277E+01 H1 5024 1.008000 0.423800 -1.2149E+01 -9.4349E+00 -1.7098E+01 H2 5025 1.008000 0.423800 -1.2535E+01 -7.8806E+00 -1.6779E+01 O6 5026 15.999400 -0.847600 1.4493E+01 -1.8137E+01 -1.6897E+01 H1 5027 1.008000 0.423800 1.5388E+01 -1.8249E+01 -1.7329E+01 H2 5028 1.008000 0.423800 1.3844E+01 -1.8780E+01 -1.7304E+01 O6 5029 15.999400 -0.847600 -4.3175E+00 -3.0513E+00 5.6002E+00 H1 5030 1.008000 0.423800 -4.5104E+00 -3.6812E+00 4.8478E+00 H2 5031 1.008000 0.423800 -3.6155E+00 -2.3982E+00 5.3164E+00 O6 5032 15.999400 -0.847600 1.8119E+01 1.3877E+01 1.1371E+01 H1 5033 1.008000 0.423800 1.8952E+01 1.4337E+01 1.1063E+01 H2 5034 1.008000 0.423800 1.8353E+01 1.2981E+01 1.1748E+01 O6 5035 15.999400 -0.847600 8.9520E+00 -9.2582E+00 -5.6007E+00 H1 5036 1.008000 0.423800 8.1467E+00 -9.1996E+00 -6.1907E+00 H2 5037 1.008000 0.423800 8.6933E+00 -9.6608E+00 -4.7227E+00 O6 5038 15.999400 -0.847600 2.1979E+00 -1.4211E+01 -9.3262E-01 H1 5039 1.008000 0.423800 1.8202E+00 -1.3437E+01 -4.2509E-01 H2 5040 1.008000 0.423800 1.7857E+00 -1.4246E+01 -1.8430E+00 O6 5041 15.999400 -0.847600 8.5607E+00 4.6038E+00 -6.6547E+00 H1 5042 1.008000 0.423800 8.5121E+00 5.6026E+00 -6.6622E+00 H2 5043 1.008000 0.423800 9.4119E+00 4.3083E+00 -7.0886E+00 O6 5044 15.999400 -0.847600 2.2223E+00 1.3240E+01 1.8228E+01 H1 5045 1.008000 0.423800 1.6955E+00 1.2687E+01 1.8874E+01 H2 5046 1.008000 0.423800 1.6150E+00 1.3586E+01 1.7513E+01 O6 5047 15.999400 -0.847600 1.9139E+01 -9.7238E+00 -4.4415E+00 H1 5048 1.008000 0.423800 -1.9034E+01 -9.8194E+00 -4.8087E+00 H2 5049 1.008000 0.423800 1.8659E+01 -1.0598E+01 -4.5157E+00 O6 5050 15.999400 -0.847600 -1.6124E+01 2.6153E+00 1.6972E+01 H1 5051 1.008000 0.423800 -1.6759E+01 2.9921E+00 1.7647E+01 H2 5052 1.008000 0.423800 -1.6538E+01 2.6621E+00 1.6063E+01 O6 5053 15.999400 -0.847600 -1.2214E+01 -1.7665E+01 -1.8551E-01 H1 5054 1.008000 0.423800 -1.1663E+01 -1.8217E+01 -8.1105E-01 H2 5055 1.008000 0.423800 -1.2523E+01 -1.6838E+01 -6.5547E-01 O6 5056 15.999400 -0.847600 1.9421E+01 3.7470E+00 -2.4689E+00 H1 5057 1.008000 0.423800 1.9291E+01 4.2871E+00 -1.6374E+00 H2 5058 1.008000 0.423800 -1.9241E+01 4.3128E+00 -3.1690E+00 O6 5059 15.999400 -0.847600 1.9737E+00 1.1605E+01 -5.7297E+00 H1 5060 1.008000 0.423800 1.9919E+00 1.0609E+01 -5.8215E+00 H2 5061 1.008000 0.423800 1.1598E+00 1.1877E+01 -5.2166E+00 O6 5062 15.999400 -0.847600 1.1062E+01 1.3938E+01 1.3012E+01 H1 5063 1.008000 0.423800 1.0677E+01 1.4129E+01 1.3915E+01 H2 5064 1.008000 0.423800 1.0900E+01 1.4719E+01 1.2409E+01 O6 5065 15.999400 -0.847600 1.4250E+01 1.5287E+01 3.7582E+00 H1 5066 1.008000 0.423800 1.5160E+01 1.5072E+01 4.1122E+00 H2 5067 1.008000 0.423800 1.3966E+01 1.6185E+01 4.0927E+00 O6 5068 15.999400 -0.847600 -1.0317E+01 1.1166E+01 -3.5651E+00 H1 5069 1.008000 0.423800 -1.0862E+01 1.1029E+01 -2.7381E+00 H2 5070 1.008000 0.423800 -1.0837E+01 1.0858E+01 -4.3619E+00 O6 5071 15.999400 -0.847600 -1.3111E+01 9.3749E+00 8.3428E+00 H1 5072 1.008000 0.423800 -1.2182E+01 9.0301E+00 8.4755E+00 H2 5073 1.008000 0.423800 -1.3583E+01 8.8103E+00 7.6651E+00 O6 5074 15.999400 -0.847600 1.1298E+01 -1.1598E+01 1.3527E+01 H1 5075 1.008000 0.423800 1.1795E+01 -1.2116E+01 1.4223E+01 H2 5076 1.008000 0.423800 1.1605E+01 -1.1880E+01 1.2619E+01 O6 5077 15.999400 -0.847600 5.6572E+00 -1.5899E+01 1.5029E+01 H1 5078 1.008000 0.423800 6.3081E+00 -1.6538E+01 1.5439E+01 H2 5079 1.008000 0.423800 5.1464E+00 -1.6361E+01 1.4305E+01 O6 5080 15.999400 -0.847600 -1.9423E+01 -1.4617E+01 1.2725E+01 H1 5081 1.008000 0.423800 -1.9196E+01 -1.3822E+01 1.2163E+01 H2 5082 1.008000 0.423800 -1.9255E+01 -1.4405E+01 1.3688E+01 O6 5083 15.999400 -0.847600 -1.3762E+01 -3.3140E+00 -1.5200E+01 H1 5084 1.008000 0.423800 -1.4087E+01 -4.0511E+00 -1.5793E+01 H2 5085 1.008000 0.423800 -1.3146E+01 -2.7191E+00 -1.5716E+01 O6 5086 15.999400 -0.847600 -1.3905E+01 -9.1540E+00 -2.1122E+00 H1 5087 1.008000 0.423800 -1.4841E+01 -8.9056E+00 -1.8609E+00 H2 5088 1.008000 0.423800 -1.3439E+01 -9.5439E+00 -1.3180E+00 O6 5089 15.999400 -0.847600 1.8456E+01 -1.8617E+00 1.4155E+01 H1 5090 1.008000 0.423800 1.9386E+01 -2.1897E+00 1.4325E+01 H2 5091 1.008000 0.423800 1.8337E+01 -9.6485E-01 1.4581E+01 O6 5092 15.999400 -0.847600 1.7830E+01 -1.5167E+01 8.1408E+00 H1 5093 1.008000 0.423800 1.8145E+01 -1.6066E+01 7.8371E+00 H2 5094 1.008000 0.423800 1.8615E+01 -1.4555E+01 8.2372E+00 O6 5095 15.999400 -0.847600 -9.8551E-01 -5.8392E+00 1.8619E+01 H1 5096 1.008000 0.423800 -1.9251E-01 -5.2918E+00 1.8351E+01 H2 5097 1.008000 0.423800 -9.1225E-01 -6.0814E+00 -1.9512E+01 O6 5098 15.999400 -0.847600 5.6058E+00 -1.3812E+01 -6.9416E-01 H1 5099 1.008000 0.423800 5.0847E+00 -1.4586E+01 -3.3482E-01 H2 5100 1.008000 0.423800 5.9553E+00 -1.3264E+01 6.5818E-02 O6 5101 15.999400 -0.847600 5.3436E+00 -6.3106E-01 -1.3502E+01 H1 5102 1.008000 0.423800 5.1354E+00 -1.6001E+00 -1.3635E+01 H2 5103 1.008000 0.423800 5.5002E+00 -1.9872E-01 -1.4390E+01 O6 5104 15.999400 -0.847600 1.3978E+01 -1.6260E+01 -8.7138E+00 H1 5105 1.008000 0.423800 1.3174E+01 -1.6803E+01 -8.4734E+00 H2 5106 1.008000 0.423800 1.4015E+01 -1.6139E+01 -9.7058E+00 O6 5107 15.999400 -0.847600 -3.5409E-01 6.3828E+00 -7.6611E+00 H1 5108 1.008000 0.423800 -1.2011E+00 6.5718E+00 -8.1579E+00 H2 5109 1.008000 0.423800 3.6950E-01 6.1522E+00 -8.3117E+00 O6 5110 15.999400 -0.847600 -1.3447E+00 1.6555E+01 -3.0632E+00 H1 5111 1.008000 0.423800 -1.4173E+00 1.6078E+01 -3.9396E+00 H2 5112 1.008000 0.423800 -1.2118E+00 1.5887E+01 -2.3310E+00 O6 5113 15.999400 -0.847600 1.3590E+01 1.9297E+01 -1.1318E+01 H1 5114 1.008000 0.423800 1.3705E+01 1.9033E+01 -1.2276E+01 H2 5115 1.008000 0.423800 1.3320E+01 1.8498E+01 -1.0782E+01 O6 5116 15.999400 -0.847600 3.0605E+00 1.5866E+01 1.2161E+01 H1 5117 1.008000 0.423800 2.8777E+00 1.6200E+01 1.1236E+01 H2 5118 1.008000 0.423800 3.4329E+00 1.6609E+01 1.2716E+01 O6 5119 15.999400 -0.847600 1.4370E+01 -9.2402E+00 -1.2935E+01 H1 5120 1.008000 0.423800 1.3709E+01 -8.9616E+00 -1.3633E+01 H2 5121 1.008000 0.423800 1.4202E+01 -1.0192E+01 -1.2679E+01 O6 5122 15.999400 -0.847600 -1.5383E+00 1.9311E+01 1.5350E-01 H1 5123 1.008000 0.423800 -6.8969E-01 1.8873E+01 -1.4325E-01 H2 5124 1.008000 0.423800 -2.1421E+00 1.9436E+01 -6.3383E-01 O6 5125 15.999400 -0.847600 1.3424E+00 -6.0762E+00 2.6392E+00 H1 5126 1.008000 0.423800 6.8439E-01 -5.5595E+00 3.1870E+00 H2 5127 1.008000 0.423800 1.1931E+00 -5.8832E+00 1.6695E+00 O6 5128 15.999400 -0.847600 5.0509E-02 -4.0534E+00 -6.4314E+00 H1 5129 1.008000 0.423800 2.5701E-01 -4.7798E+00 -7.0869E+00 H2 5130 1.008000 0.423800 7.7797E-01 -3.3676E+00 -6.4538E+00 O6 5131 15.999400 -0.847600 -3.1551E+00 1.9838E+00 1.4210E+01 H1 5132 1.008000 0.423800 -2.7114E+00 1.9266E+00 1.5104E+01 H2 5133 1.008000 0.423800 -3.2849E+00 1.0627E+00 1.3842E+01 O6 5134 15.999400 -0.847600 1.1985E+01 -1.5496E+01 1.0207E+01 H1 5135 1.008000 0.423800 1.1071E+01 -1.5550E+01 9.8036E+00 H2 5136 1.008000 0.423800 1.2564E+01 -1.4910E+01 9.6403E+00 O6 5137 15.999400 -0.847600 -2.6517E+00 1.8789E+01 -2.2062E+00 H1 5138 1.008000 0.423800 -2.0064E+00 1.8090E+01 -2.5146E+00 H2 5139 1.008000 0.423800 -3.3012E+00 1.8990E+01 -2.9396E+00 O6 5140 15.999400 -0.847600 1.2662E+01 -1.1438E+01 -6.4849E+00 H1 5141 1.008000 0.423800 1.1678E+01 -1.1294E+01 -6.3793E+00 H2 5142 1.008000 0.423800 1.2856E+01 -1.2419E+01 -6.4973E+00 O6 5143 15.999400 -0.847600 2.8634E+00 -1.7925E+01 -5.3150E+00 H1 5144 1.008000 0.423800 3.8092E+00 -1.8204E+01 -5.1489E+00 H2 5145 1.008000 0.423800 2.7417E+00 -1.7721E+01 -6.2865E+00 O6 5146 15.999400 -0.847600 -9.2581E+00 9.0585E+00 -6.0635E+00 H1 5147 1.008000 0.423800 -9.8494E+00 9.8284E+00 -5.8232E+00 H2 5148 1.008000 0.423800 -9.8212E+00 8.2767E+00 -6.3314E+00 O6 5149 15.999400 -0.847600 1.4955E+00 1.2957E+01 -1.5045E+01 H1 5150 1.008000 0.423800 1.9754E+00 1.2107E+01 -1.4827E+01 H2 5151 1.008000 0.423800 1.0416E+00 1.3302E+01 -1.4223E+01 O6 5152 15.999400 -0.847600 -1.4159E+01 1.0723E+01 -1.5795E+00 H1 5153 1.008000 0.423800 -1.3201E+01 1.0490E+01 -1.4134E+00 H2 5154 1.008000 0.423800 -1.4297E+01 1.1700E+01 -1.4164E+00 O6 5155 15.999400 -0.847600 -1.5093E+01 9.2856E+00 -1.2638E+01 H1 5156 1.008000 0.423800 -1.6001E+01 9.2193E+00 -1.2224E+01 H2 5157 1.008000 0.423800 -1.5154E+01 9.7935E+00 -1.3497E+01 O6 5158 15.999400 -0.847600 1.5753E+01 3.2770E+00 1.6349E+01 H1 5159 1.008000 0.423800 1.5266E+01 3.2850E+00 1.7222E+01 H2 5160 1.008000 0.423800 1.6609E+01 2.7695E+00 1.6449E+01 O6 5161 15.999400 -0.847600 4.3212E-01 1.4151E+01 -1.2834E+01 H1 5162 1.008000 0.423800 -5.3166E-01 1.4134E+01 -1.3100E+01 H2 5163 1.008000 0.423800 6.7149E-01 1.5064E+01 -1.2506E+01 O6 5164 15.999400 -0.847600 -3.4461E+00 1.6661E+01 1.6707E+01 H1 5165 1.008000 0.423800 -3.5253E+00 1.6338E+01 1.5764E+01 H2 5166 1.008000 0.423800 -3.5483E+00 1.5889E+01 1.7334E+01 O6 5167 15.999400 -0.847600 -5.4004E+00 -8.7192E+00 7.7539E+00 H1 5168 1.008000 0.423800 -6.0938E+00 -9.3368E+00 8.1251E+00 H2 5169 1.008000 0.423800 -4.5745E+00 -9.2386E+00 7.5349E+00 O6 5170 15.999400 -0.847600 -7.7841E+00 1.5513E+01 1.0691E+01 H1 5171 1.008000 0.423800 -8.5141E+00 1.5390E+01 1.0019E+01 H2 5172 1.008000 0.423800 -7.8900E+00 1.4842E+01 1.1425E+01 O6 5173 15.999400 -0.847600 -7.6233E+00 1.8431E+01 -1.9199E+01 H1 5174 1.008000 0.423800 -6.9175E+00 1.8569E+01 -1.8504E+01 H2 5175 1.008000 0.423800 -7.3598E+00 1.7673E+01 1.9302E+01 O6 5176 15.999400 -0.847600 -2.1212E-01 1.9033E+01 -1.3628E+01 H1 5177 1.008000 0.423800 1.4656E-01 -1.9135E+01 -1.3710E+01 H2 5178 1.008000 0.423800 -7.0930E-01 1.8793E+01 -1.4462E+01 O6 5179 15.999400 -0.847600 3.6953E+00 7.8983E+00 8.4923E+00 H1 5180 1.008000 0.423800 2.9896E+00 8.5939E+00 8.3574E+00 H2 5181 1.008000 0.423800 4.4099E+00 8.0102E+00 7.8019E+00 O6 5182 15.999400 -0.847600 1.2318E+01 1.3921E+00 1.4027E+01 H1 5183 1.008000 0.423800 1.2831E+01 6.1970E-01 1.4401E+01 H2 5184 1.008000 0.423800 1.1424E+01 1.4463E+00 1.4474E+01 O6 5185 15.999400 -0.847600 -1.7686E+01 -6.2524E+00 -8.4247E+00 H1 5186 1.008000 0.423800 -1.7062E+01 -6.7446E+00 -7.8181E+00 H2 5187 1.008000 0.423800 -1.8628E+01 -6.5210E+00 -8.2227E+00 O6 5188 15.999400 -0.847600 -1.6446E+01 -6.4114E+00 -7.3593E-01 H1 5189 1.008000 0.423800 -1.6507E+01 -7.2998E+00 -1.1909E+00 H2 5190 1.008000 0.423800 -1.7163E+01 -5.8081E+00 -1.0853E+00 O6 5191 15.999400 -0.847600 6.3266E+00 -5.1681E+00 3.8359E+00 H1 5192 1.008000 0.423800 5.8861E+00 -4.3101E+00 4.1001E+00 H2 5193 1.008000 0.423800 6.1929E+00 -5.3238E+00 2.8572E+00 O6 5194 15.999400 -0.847600 1.1769E+01 1.0932E+01 1.0775E+01 H1 5195 1.008000 0.423800 1.0898E+01 1.0995E+01 1.0288E+01 H2 5196 1.008000 0.423800 1.1900E+01 1.1753E+01 1.1330E+01 O6 5197 15.999400 -0.847600 -1.2093E+01 9.5332E+00 -1.6457E+01 H1 5198 1.008000 0.423800 -1.1652E+01 1.0175E+01 -1.7085E+01 H2 5199 1.008000 0.423800 -1.3026E+01 9.3505E+00 -1.6769E+01 O6 5200 15.999400 -0.847600 1.9256E+01 -1.7296E+01 7.5572E+00 H1 5201 1.008000 0.423800 1.9348E+01 -1.8122E+01 7.0010E+00 H2 5202 1.008000 0.423800 -1.9022E+01 -1.6732E+01 7.4546E+00 O6 5203 15.999400 -0.847600 4.2040E+00 -1.8369E+01 1.8841E+01 H1 5204 1.008000 0.423800 4.4731E+00 -1.8641E+01 1.7917E+01 H2 5205 1.008000 0.423800 4.6173E+00 -1.7486E+01 1.9062E+01 O6 5206 15.999400 -0.847600 7.5567E+00 -1.7639E+01 1.5768E+01 H1 5207 1.008000 0.423800 8.4308E+00 -1.7731E+01 1.5291E+01 H2 5208 1.008000 0.423800 7.7224E+00 -1.7515E+01 1.6746E+01 O6 5209 15.999400 -0.847600 1.9486E+01 -1.8112E+01 1.1517E+00 H1 5210 1.008000 0.423800 1.9482E+01 -1.8785E+01 1.8914E+00 H2 5211 1.008000 0.423800 -1.9115E+01 -1.7295E+01 1.4469E+00 O6 5212 15.999400 -0.847600 -1.1999E+01 1.3663E+01 -1.6325E+01 H1 5213 1.008000 0.423800 -1.1542E+01 1.4345E+01 -1.6896E+01 H2 5214 1.008000 0.423800 -1.2795E+01 1.4076E+01 -1.5884E+01 O6 5215 15.999400 -0.847600 1.1618E+01 -1.4709E+01 5.2446E+00 H1 5216 1.008000 0.423800 1.1452E+01 -1.4207E+01 4.3952E+00 H2 5217 1.008000 0.423800 1.1379E+01 -1.5671E+01 5.1156E+00 O6 5218 15.999400 -0.847600 -2.3895E+00 -8.1846E+00 1.4026E+01 H1 5219 1.008000 0.423800 -1.6768E+00 -8.8841E+00 1.4079E+01 H2 5220 1.008000 0.423800 -2.5241E+00 -7.7774E+00 1.4930E+01 O6 5221 15.999400 -0.847600 -5.5143E+00 8.7646E+00 -3.7817E+00 H1 5222 1.008000 0.423800 -4.8201E+00 8.1663E+00 -4.1819E+00 H2 5223 1.008000 0.423800 -5.0980E+00 9.6399E+00 -3.5354E+00 O6 5224 15.999400 -0.847600 -7.5444E+00 -1.0566E+01 -1.1299E+01 H1 5225 1.008000 0.423800 -7.8576E+00 -9.8346E+00 -1.0694E+01 H2 5226 1.008000 0.423800 -6.9109E+00 -1.1161E+01 -1.0804E+01 O6 5227 15.999400 -0.847600 -1.1846E+01 -1.7712E+01 -4.6299E+00 H1 5228 1.008000 0.423800 -1.2779E+01 -1.7546E+01 -4.3097E+00 H2 5229 1.008000 0.423800 -1.1323E+01 -1.6860E+01 -4.5890E+00 O6 5230 15.999400 -0.847600 1.0499E+01 -1.2847E+01 -1.2909E+01 H1 5231 1.008000 0.423800 1.0140E+01 -1.2027E+01 -1.2464E+01 H2 5232 1.008000 0.423800 1.0354E+01 -1.3639E+01 -1.2315E+01 O6 5233 15.999400 -0.847600 3.9417E-02 -5.6665E-01 1.0261E+01 H1 5234 1.008000 0.423800 3.6687E-01 -1.3587E+00 9.7461E+00 H2 5235 1.008000 0.423800 -8.5699E-01 -7.7201E-01 1.0654E+01 O6 5236 15.999400 -0.847600 4.9427E+00 1.0124E+01 -4.0281E+00 H1 5237 1.008000 0.423800 5.7302E+00 1.0639E+01 -4.3661E+00 H2 5238 1.008000 0.423800 4.1160E+00 1.0679E+01 -4.1222E+00 O6 5239 15.999400 -0.847600 -2.5506E+00 -5.3308E+00 9.3933E+00 H1 5240 1.008000 0.423800 -1.7230E+00 -5.4145E+00 9.9483E+00 H2 5241 1.008000 0.423800 -3.2101E+00 -6.0294E+00 9.6708E+00 O6 5242 15.999400 -0.847600 8.8267E+00 -9.3858E+00 1.6172E+01 H1 5243 1.008000 0.423800 9.7692E+00 -9.0547E+00 1.6125E+01 H2 5244 1.008000 0.423800 8.1981E+00 -8.6268E+00 1.6002E+01 O6 5245 15.999400 -0.847600 1.7984E+01 -1.9387E+01 -5.5299E-01 H1 5246 1.008000 0.423800 1.8509E+01 -1.8675E+01 -8.6833E-02 H2 5247 1.008000 0.423800 1.7097E+01 -1.9495E+01 -1.0292E-01 O6 5248 15.999400 -0.847600 -1.3434E+01 1.3077E+01 -4.4183E+00 H1 5249 1.008000 0.423800 -1.3373E+01 1.2176E+01 -4.8469E+00 H2 5250 1.008000 0.423800 -1.3524E+01 1.3777E+01 -5.1264E+00 O6 5251 15.999400 -0.847600 8.7159E+00 6.7729E-01 7.2154E+00 H1 5252 1.008000 0.423800 9.3237E+00 -5.2083E-02 7.5294E+00 H2 5253 1.008000 0.423800 8.4210E+00 4.8550E-01 6.2794E+00 O6 5254 15.999400 -0.847600 7.8780E-01 1.2218E+01 1.1141E+01 H1 5255 1.008000 0.423800 1.6288E-01 1.2989E+01 1.1020E+01 H2 5256 1.008000 0.423800 1.4167E+00 1.2174E+01 1.0364E+01 O6 5257 15.999400 -0.847600 1.4164E+01 1.1358E+01 -1.4019E+01 H1 5258 1.008000 0.423800 1.4116E+01 1.1420E+01 -1.5016E+01 H2 5259 1.008000 0.423800 1.3991E+01 1.2259E+01 -1.3621E+01 O6 5260 15.999400 -0.847600 8.8227E+00 -4.9740E+00 4.9466E+00 H1 5261 1.008000 0.423800 7.9455E+00 -4.6095E+00 4.6339E+00 H2 5262 1.008000 0.423800 9.2414E+00 -5.5096E+00 4.2132E+00 O6 5263 15.999400 -0.847600 1.5700E+00 1.1366E+01 -9.2497E+00 H1 5264 1.008000 0.423800 1.1481E+00 1.0470E+01 -9.1099E+00 H2 5265 1.008000 0.423800 8.8289E-01 1.2081E+01 -9.1233E+00 O6 5266 15.999400 -0.847600 1.2114E+01 -1.0566E+01 1.9414E+01 H1 5267 1.008000 0.423800 1.3019E+01 -1.0944E+01 1.9220E+01 H2 5268 1.008000 0.423800 1.2167E+01 -9.9694E+00 -1.8882E+01 O6 5269 15.999400 -0.847600 2.8712E+00 1.7287E+01 9.5915E+00 H1 5270 1.008000 0.423800 2.6441E+00 1.8193E+01 9.9487E+00 H2 5271 1.008000 0.423800 3.4844E+00 1.7382E+01 8.8073E+00 O6 5272 15.999400 -0.847600 1.5639E+00 -6.9960E+00 1.3653E+01 H1 5273 1.008000 0.423800 2.0330E+00 -6.8911E+00 1.2776E+01 H2 5274 1.008000 0.423800 6.5938E-01 -6.5730E+00 1.3600E+01 O6 5275 15.999400 -0.847600 -1.1646E+01 -1.7144E+01 -1.3960E+01 H1 5276 1.008000 0.423800 -1.1772E+01 -1.6408E+01 -1.4625E+01 H2 5277 1.008000 0.423800 -1.0976E+01 -1.7798E+01 -1.4311E+01 O6 5278 15.999400 -0.847600 -1.2867E+01 -1.1775E+00 1.8302E+01 H1 5279 1.008000 0.423800 -1.2309E+01 -9.9777E-01 1.9112E+01 H2 5280 1.008000 0.423800 -1.3020E+01 -2.1618E+00 1.8215E+01 O6 5281 15.999400 -0.847600 1.3713E+01 1.2331E+01 -1.6683E+01 H1 5282 1.008000 0.423800 1.4000E+01 1.3142E+01 -1.6173E+01 H2 5283 1.008000 0.423800 1.3988E+01 1.2425E+01 -1.7640E+01 O6 5284 15.999400 -0.847600 -1.7957E+01 6.7019E+00 1.2144E+01 H1 5285 1.008000 0.423800 -1.8862E+01 6.2991E+00 1.2278E+01 H2 5286 1.008000 0.423800 -1.7279E+01 6.1770E+00 1.2660E+01 O6 5287 15.999400 -0.847600 8.2804E+00 -1.3639E+01 -9.7428E+00 H1 5288 1.008000 0.423800 8.1638E+00 -1.4301E+01 -9.0020E+00 H2 5289 1.008000 0.423800 8.5792E+00 -1.2763E+01 -9.3636E+00 O6 5290 15.999400 -0.847600 5.6325E+00 -2.8554E+00 1.5906E+01 H1 5291 1.008000 0.423800 5.9535E+00 -2.2065E+00 1.6596E+01 H2 5292 1.008000 0.423800 5.3358E+00 -3.6986E+00 1.6354E+01 O6 5293 15.999400 -0.847600 8.7203E+00 1.5303E+01 7.5267E+00 H1 5294 1.008000 0.423800 9.2768E+00 1.4473E+01 7.5041E+00 H2 5295 1.008000 0.423800 8.3457E+00 1.5478E+01 6.6162E+00 O6 5296 15.999400 -0.847600 1.0582E+00 -7.2904E+00 1.6356E+01 H1 5297 1.008000 0.423800 8.6536E-01 -8.2105E+00 1.6697E+01 H2 5298 1.008000 0.423800 1.1041E+00 -7.3080E+00 1.5358E+01 O6 5299 15.999400 -0.847600 -1.2105E+01 -8.0923E-01 -1.5902E+01 H1 5300 1.008000 0.423800 -1.2994E+01 -3.9492E-01 -1.5706E+01 H2 5301 1.008000 0.423800 -1.1496E+01 -6.7501E-01 -1.5120E+01 O6 5302 15.999400 -0.847600 6.9520E+00 4.6588E+00 6.4991E+00 H1 5303 1.008000 0.423800 7.2640E+00 5.6071E+00 6.5575E+00 H2 5304 1.008000 0.423800 7.3796E+00 4.1220E+00 7.2265E+00 O6 5305 15.999400 -0.847600 -1.0457E+01 1.4970E+01 -8.1035E+00 H1 5306 1.008000 0.423800 -9.5941E+00 1.4758E+01 -7.6452E+00 H2 5307 1.008000 0.423800 -1.1093E+01 1.4207E+01 -7.9880E+00 O6 5308 15.999400 -0.847600 -5.4599E+00 -1.5590E+01 -5.6985E+00 H1 5309 1.008000 0.423800 -4.8507E+00 -1.5256E+01 -4.9788E+00 H2 5310 1.008000 0.423800 -6.4102E+00 -1.5489E+01 -5.4038E+00 O6 5311 15.999400 -0.847600 -7.2411E+00 -3.2059E+00 -1.8867E+01 H1 5312 1.008000 0.423800 -7.7936E+00 -2.6319E+00 -1.9471E+01 H2 5313 1.008000 0.423800 -7.7673E+00 -4.0139E+00 -1.8602E+01 O6 5314 15.999400 -0.847600 8.7960E+00 1.7623E+01 1.0974E+01 H1 5315 1.008000 0.423800 9.0920E+00 1.8410E+01 1.0433E+01 H2 5316 1.008000 0.423800 8.1910E+00 1.7932E+01 1.1708E+01 O6 5317 15.999400 -0.847600 -9.9432E+00 6.4052E+00 -1.1629E+00 H1 5318 1.008000 0.423800 -9.4375E+00 6.8985E+00 -1.8706E+00 H2 5319 1.008000 0.423800 -1.0740E+01 6.9430E+00 -8.8612E-01 O6 5320 15.999400 -0.847600 -1.2313E+01 -1.1943E+01 -4.6417E+00 H1 5321 1.008000 0.423800 -1.3035E+01 -1.1302E+01 -4.3819E+00 H2 5322 1.008000 0.423800 -1.2625E+01 -1.2505E+01 -5.4081E+00 O6 5323 15.999400 -0.847600 1.0772E+01 1.0864E-02 2.1785E+00 H1 5324 1.008000 0.423800 1.1001E+01 -2.1632E-02 1.2057E+00 H2 5325 1.008000 0.423800 1.1537E+01 -3.4547E-01 2.7138E+00 O6 5326 15.999400 -0.847600 1.8001E+01 -3.3148E+00 -7.4380E+00 H1 5327 1.008000 0.423800 1.8347E+01 -2.3792E+00 -7.5112E+00 H2 5328 1.008000 0.423800 1.7002E+01 -3.2997E+00 -7.4060E+00 O6 5329 15.999400 -0.847600 5.3466E+00 -1.1260E+01 1.7669E+01 H1 5330 1.008000 0.423800 5.7249E+00 -1.2077E+01 1.7233E+01 H2 5331 1.008000 0.423800 5.3328E+00 -1.0507E+01 1.7011E+01 O6 5332 15.999400 -0.847600 -1.8654E+00 1.2200E+01 1.8732E+01 H1 5333 1.008000 0.423800 -1.9259E+00 1.2004E+01 1.7753E+01 H2 5334 1.008000 0.423800 -1.8831E+00 1.1343E+01 1.9246E+01 O6 5335 15.999400 -0.847600 1.8046E+01 9.2567E+00 1.2238E+01 H1 5336 1.008000 0.423800 1.7882E+01 9.1516E+00 1.1257E+01 H2 5337 1.008000 0.423800 1.7691E+01 8.4577E+00 1.2723E+01 O6 5338 15.999400 -0.847600 -1.6818E+01 -1.5540E+00 -1.3413E+01 H1 5339 1.008000 0.423800 -1.7086E+01 -6.0748E-01 -1.3592E+01 H2 5340 1.008000 0.423800 -1.7375E+01 -2.1696E+00 -1.3971E+01 O6 5341 15.999400 -0.847600 -1.1917E+01 -1.7249E+01 -1.7684E+01 H1 5342 1.008000 0.423800 -1.1187E+01 -1.7925E+01 -1.7590E+01 H2 5343 1.008000 0.423800 -1.1663E+01 -1.6413E+01 -1.7197E+01 O6 5344 15.999400 -0.847600 -1.4054E+01 3.1114E+00 -1.2488E+01 H1 5345 1.008000 0.423800 -1.4343E+01 3.5352E+00 -1.1630E+01 H2 5346 1.008000 0.423800 -1.4855E+01 2.9425E+00 -1.3063E+01 O6 5347 15.999400 -0.847600 1.6094E+01 6.1121E+00 1.6693E+01 H1 5348 1.008000 0.423800 1.6508E+01 5.3110E+00 1.6261E+01 H2 5349 1.008000 0.423800 1.5106E+01 5.9759E+00 1.6769E+01 O6 5350 15.999400 -0.847600 1.2167E+01 -1.2296E+01 1.1455E-01 H1 5351 1.008000 0.423800 1.2359E+01 -1.1862E+01 9.9518E-01 H2 5352 1.008000 0.423800 1.2822E+01 -1.3036E+01 -4.2022E-02 O6 5353 15.999400 -0.847600 -1.6604E+01 -5.3039E+00 7.4312E+00 H1 5354 1.008000 0.423800 -1.6588E+01 -6.0139E+00 6.7271E+00 H2 5355 1.008000 0.423800 -1.7400E+01 -4.7152E+00 7.2924E+00 O6 5356 15.999400 -0.847600 1.7752E+01 1.1356E+01 1.4422E+00 H1 5357 1.008000 0.423800 1.8526E+01 1.1206E+01 8.2649E-01 H2 5358 1.008000 0.423800 1.7596E+01 1.0533E+01 1.9875E+00 O6 5359 15.999400 -0.847600 4.3466E+00 1.3935E+01 1.4022E+01 H1 5360 1.008000 0.423800 4.7916E+00 1.3115E+01 1.3662E+01 H2 5361 1.008000 0.423800 3.8495E+00 1.4395E+01 1.3287E+01 O6 5362 15.999400 -0.847600 -1.8790E+01 1.4911E+01 1.0578E+01 H1 5363 1.008000 0.423800 -1.8624E+01 1.5848E+01 1.0272E+01 H2 5364 1.008000 0.423800 -1.8049E+01 1.4623E+01 1.1186E+01 O6 5365 15.999400 -0.847600 1.4208E+01 -5.1715E+00 2.9189E+00 H1 5366 1.008000 0.423800 1.3880E+01 -4.2803E+00 3.2323E+00 H2 5367 1.008000 0.423800 1.5002E+01 -5.0442E+00 2.3239E+00 O6 5368 15.999400 -0.847600 1.6088E+01 1.2595E+01 -7.6305E+00 H1 5369 1.008000 0.423800 1.6950E+01 1.3033E+01 -7.8864E+00 H2 5370 1.008000 0.423800 1.6203E+01 1.2118E+01 -6.7591E+00 O6 5371 15.999400 -0.847600 -6.2989E+00 -3.5289E-01 -7.3114E+00 H1 5372 1.008000 0.423800 -6.6870E+00 2.1024E-01 -6.5818E+00 H2 5373 1.008000 0.423800 -6.3145E+00 -1.3137E+00 -7.0348E+00 O6 5374 15.999400 -0.847600 1.2173E+01 -8.3308E+00 -1.7645E+01 H1 5375 1.008000 0.423800 1.2615E+01 -7.9462E+00 -1.6835E+01 H2 5376 1.008000 0.423800 1.2098E+01 -7.6259E+00 -1.8350E+01 O6 5377 15.999400 -0.847600 1.5056E+01 1.4431E+01 -1.5729E+01 H1 5378 1.008000 0.423800 1.5524E+01 1.4936E+01 -1.5003E+01 H2 5379 1.008000 0.423800 1.5482E+01 1.4642E+01 -1.6609E+01 O6 5380 15.999400 -0.847600 6.9027E+00 9.3407E+00 -1.5022E+01 H1 5381 1.008000 0.423800 7.3523E+00 9.6550E+00 -1.4186E+01 H2 5382 1.008000 0.423800 7.5569E+00 9.3557E+00 -1.5778E+01 O6 5383 15.999400 -0.847600 5.7674E+00 6.5359E+00 -6.3203E+00 H1 5384 1.008000 0.423800 5.6851E+00 5.5586E+00 -6.1254E+00 H2 5385 1.008000 0.423800 6.7323E+00 6.7982E+00 -6.3071E+00 O6 5386 15.999400 -0.847600 1.9253E+01 4.1822E+00 -1.7308E+01 H1 5387 1.008000 0.423800 1.8315E+01 4.3704E+00 -1.7017E+01 H2 5388 1.008000 0.423800 1.9313E+01 3.2463E+00 -1.7655E+01 O6 5389 15.999400 -0.847600 -8.5628E+00 -1.6391E+01 1.7663E+01 H1 5390 1.008000 0.423800 -9.3022E+00 -1.5893E+01 1.7208E+01 H2 5391 1.008000 0.423800 -8.3804E+00 -1.7241E+01 1.7169E+01 O6 5392 15.999400 -0.847600 -9.7257E+00 -8.0943E+00 -1.2109E+01 H1 5393 1.008000 0.423800 -1.0436E+01 -7.9823E+00 -1.1414E+01 H2 5394 1.008000 0.423800 -9.9012E+00 -8.9273E+00 -1.2634E+01 O6 5395 15.999400 -0.847600 -4.8917E+00 1.4667E+01 7.1300E+00 H1 5396 1.008000 0.423800 -4.7670E+00 1.3682E+01 7.0105E+00 H2 5397 1.008000 0.423800 -4.9625E+00 1.5105E+01 6.2339E+00 O6 5398 15.999400 -0.847600 1.5622E+01 1.7687E+01 -1.7487E+01 H1 5399 1.008000 0.423800 1.5782E+01 1.6702E+01 -1.7551E+01 H2 5400 1.008000 0.423800 1.5654E+01 1.7968E+01 -1.6527E+01 O6 5401 15.999400 -0.847600 7.4193E-01 7.2853E+00 -1.3270E+01 H1 5402 1.008000 0.423800 1.6314E+00 7.4832E+00 -1.3682E+01 H2 5403 1.008000 0.423800 7.8477E-01 7.4571E+00 -1.2286E+01 O6 5404 15.999400 -0.847600 -6.0513E+00 9.4814E+00 9.6282E+00 H1 5405 1.008000 0.423800 -5.8970E+00 8.4941E+00 9.6679E+00 H2 5406 1.008000 0.423800 -5.2128E+00 9.9380E+00 9.3307E+00 O6 5407 15.999400 -0.847600 -4.3520E+00 -7.3254E+00 1.0065E+01 H1 5408 1.008000 0.423800 -4.7102E+00 -7.8882E+00 9.3199E+00 H2 5409 1.008000 0.423800 -4.6647E+00 -7.6934E+00 1.0941E+01 O6 5410 15.999400 -0.847600 -1.6593E+01 6.7619E+00 -7.2449E+00 H1 5411 1.008000 0.423800 -1.5830E+01 6.3250E+00 -6.7686E+00 H2 5412 1.008000 0.423800 -1.6409E+01 6.7740E+00 -8.2278E+00 O6 5413 15.999400 -0.847600 5.9479E+00 1.0396E+01 1.4847E+00 H1 5414 1.008000 0.423800 6.9033E+00 1.0563E+01 1.7280E+00 H2 5415 1.008000 0.423800 5.6452E+00 1.1087E+01 8.2811E-01 O6 5416 15.999400 -0.847600 -1.0517E+01 7.2847E+00 -7.5258E+00 H1 5417 1.008000 0.423800 -9.9700E+00 6.4475E+00 -7.5281E+00 H2 5418 1.008000 0.423800 -1.0412E+01 7.7535E+00 -8.4029E+00 O6 5419 15.999400 -0.847600 1.9296E+01 1.5828E+01 -1.3918E+01 H1 5420 1.008000 0.423800 -1.9264E+01 1.5286E+01 -1.4564E+01 H2 5421 1.008000 0.423800 1.8803E+01 1.5216E+01 -1.3299E+01 O6 5422 15.999400 -0.847600 -2.1273E+00 1.0077E+01 -9.4205E+00 H1 5423 1.008000 0.423800 -2.4228E+00 9.3360E+00 -8.8170E+00 H2 5424 1.008000 0.423800 -1.9060E+00 9.7041E+00 -1.0322E+01 O6 5425 15.999400 -0.847600 -1.3990E+01 -1.6400E+01 9.2691E+00 H1 5426 1.008000 0.423800 -1.4902E+01 -1.6676E+01 9.5742E+00 H2 5427 1.008000 0.423800 -1.3465E+01 -1.6064E+01 1.0051E+01 O6 5428 15.999400 -0.847600 1.1663E+01 -1.1677E+01 -3.5728E+00 H1 5429 1.008000 0.423800 1.1283E+01 -1.1328E+01 -2.7158E+00 H2 5430 1.008000 0.423800 1.2661E+01 -1.1687E+01 -3.5154E+00 O6 5431 15.999400 -0.847600 1.8561E+01 1.8342E+01 -4.6790E+00 H1 5432 1.008000 0.423800 1.9387E+01 1.8574E+01 -4.1646E+00 H2 5433 1.008000 0.423800 1.7891E+01 1.7926E+01 -4.0642E+00 O6 5434 15.999400 -0.847600 -1.0546E+01 1.2646E+01 1.5372E+01 H1 5435 1.008000 0.423800 -1.1358E+01 1.2989E+01 1.5843E+01 H2 5436 1.008000 0.423800 -1.0270E+01 1.1774E+01 1.5776E+01 O6 5437 15.999400 -0.847600 3.0868E+00 -1.1903E+00 1.4518E+01 H1 5438 1.008000 0.423800 3.5513E+00 -3.0922E-01 1.4428E+01 H2 5439 1.008000 0.423800 3.6561E+00 -1.8141E+00 1.5054E+01 O6 5440 15.999400 -0.847600 -1.6575E+01 6.3732E+00 1.5705E+01 H1 5441 1.008000 0.423800 -1.7319E+01 5.8058E+00 1.5353E+01 H2 5442 1.008000 0.423800 -1.5698E+01 5.9441E+00 1.5489E+01 O6 5443 15.999400 -0.847600 -4.0776E+00 1.7441E+01 -1.7139E+01 H1 5444 1.008000 0.423800 -3.0776E+00 1.7431E+01 -1.7142E+01 H2 5445 1.008000 0.423800 -4.4179E+00 1.6632E+01 -1.6659E+01 O6 5446 15.999400 -0.847600 3.3956E-01 -9.4124E+00 -1.4712E+01 H1 5447 1.008000 0.423800 1.0861E+00 -9.3609E+00 -1.4049E+01 H2 5448 1.008000 0.423800 -3.5777E-01 -8.7335E+00 -1.4482E+01 O6 5449 15.999400 -0.847600 7.5191E+00 2.1594E+00 -1.5067E+01 H1 5450 1.008000 0.423800 7.8421E+00 2.4417E+00 -1.4164E+01 H2 5451 1.008000 0.423800 7.4146E+00 1.1651E+00 -1.5088E+01 O6 5452 15.999400 -0.847600 -1.9026E+01 1.0882E+01 1.0236E+01 H1 5453 1.008000 0.423800 1.9145E+01 1.0514E+01 1.0312E+01 H2 5454 1.008000 0.423800 -1.9001E+01 1.1576E+01 9.5159E+00 O6 5455 15.999400 -0.847600 4.4896E+00 9.2963E+00 1.0634E+01 H1 5456 1.008000 0.423800 4.0224E+00 8.9271E+00 9.8305E+00 H2 5457 1.008000 0.423800 4.1731E+00 8.8176E+00 1.1453E+01 O6 5458 15.999400 -0.847600 -1.5038E+01 1.6305E+01 1.0781E+01 H1 5459 1.008000 0.423800 -1.5590E+01 1.6389E+01 9.9510E+00 H2 5460 1.008000 0.423800 -1.4529E+01 1.5445E+01 1.0757E+01 O6 5461 15.999400 -0.847600 -1.1390E+01 -8.2612E+00 -1.0011E+01 H1 5462 1.008000 0.423800 -1.2282E+01 -8.2514E+00 -1.0462E+01 H2 5463 1.008000 0.423800 -1.1322E+01 -7.4805E+00 -9.3896E+00 O6 5464 15.999400 -0.847600 -9.4499E+00 -4.1270E+00 -6.9663E+00 H1 5465 1.008000 0.423800 -8.7347E+00 -4.0702E+00 -7.6629E+00 H2 5466 1.008000 0.423800 -1.0009E+01 -3.2981E+00 -6.9939E+00 O6 5467 15.999400 -0.847600 1.9489E+01 -6.0518E+00 1.4261E+01 H1 5468 1.008000 0.423800 1.9474E+01 -5.6152E+00 1.3361E+01 H2 5469 1.008000 0.423800 1.8957E+01 -5.5037E+00 1.4906E+01 O6 5470 15.999400 -0.847600 1.8854E+01 7.9621E+00 2.7843E+00 H1 5471 1.008000 0.423800 1.8853E+01 7.7067E+00 3.7512E+00 H2 5472 1.008000 0.423800 1.8188E+01 7.4029E+00 2.2912E+00 O6 5473 15.999400 -0.847600 -1.5934E+01 -1.7883E+01 3.9223E+00 H1 5474 1.008000 0.423800 -1.4979E+01 -1.8137E+01 3.7703E+00 H2 5475 1.008000 0.423800 -1.6001E+01 -1.6892E+01 4.0410E+00 O6 5476 15.999400 -0.847600 -1.0546E+01 -5.2370E+00 1.5081E+01 H1 5477 1.008000 0.423800 -1.0019E+01 -4.3878E+00 1.5048E+01 H2 5478 1.008000 0.423800 -1.0616E+01 -5.5488E+00 1.6029E+01 O6 5479 15.999400 -0.847600 -1.6594E+00 9.8600E+00 -1.2237E+01 H1 5480 1.008000 0.423800 -2.4039E+00 1.0500E+01 -1.2048E+01 H2 5481 1.008000 0.423800 -1.3501E+00 9.9790E+00 -1.3181E+01 O6 5482 15.999400 -0.847600 5.5633E-01 9.0902E+00 -8.1797E+00 H1 5483 1.008000 0.423800 -1.9865E-01 8.5253E+00 -7.8466E+00 H2 5484 1.008000 0.423800 1.3092E+00 9.0616E+00 -7.5222E+00 O6 5485 15.999400 -0.847600 -1.7422E+01 7.0031E+00 9.4917E+00 H1 5486 1.008000 0.423800 -1.8257E+01 6.8259E+00 8.9713E+00 H2 5487 1.008000 0.423800 -1.7506E+01 6.6025E+00 1.0404E+01 O6 5488 15.999400 -0.847600 5.5902E+00 8.2275E+00 6.4085E+00 H1 5489 1.008000 0.423800 6.4497E+00 7.7637E+00 6.6239E+00 H2 5490 1.008000 0.423800 5.7831E+00 9.0700E+00 5.9057E+00 O6 5491 15.999400 -0.847600 -2.1358E+00 -1.0623E+01 -5.3201E-01 H1 5492 1.008000 0.423800 -2.4196E+00 -1.0985E+01 -1.4199E+00 H2 5493 1.008000 0.423800 -2.9367E+00 -1.0282E+01 -3.9680E-02 O6 5494 15.999400 -0.847600 6.6167E+00 -9.8026E+00 -1.5969E+01 H1 5495 1.008000 0.423800 6.5610E+00 -9.8330E+00 -1.6967E+01 H2 5496 1.008000 0.423800 7.2413E+00 -9.0724E+00 -1.5693E+01 O6 5497 15.999400 -0.847600 -8.2308E-01 4.0852E+00 -3.2734E+00 H1 5498 1.008000 0.423800 -4.8611E-01 4.9768E+00 -2.9711E+00 H2 5499 1.008000 0.423800 -8.7653E-01 4.0702E+00 -4.2719E+00 O6 5500 15.999400 -0.847600 5.0534E+00 1.6909E+01 7.8239E+00 H1 5501 1.008000 0.423800 5.8065E+00 1.6677E+01 8.4395E+00 H2 5502 1.008000 0.423800 5.3419E+00 1.7639E+01 7.2048E+00 O6 5503 15.999400 -0.847600 -1.8884E+00 1.4146E+01 -1.8184E+01 H1 5504 1.008000 0.423800 -2.4617E+00 1.3841E+01 -1.7424E+01 H2 5505 1.008000 0.423800 -1.7448E+00 1.3387E+01 -1.8819E+01 O6 5506 15.999400 -0.847600 9.0512E+00 -1.5513E+01 1.1729E+01 H1 5507 1.008000 0.423800 8.6364E+00 -1.4700E+01 1.2137E+01 H2 5508 1.008000 0.423800 9.4500E+00 -1.6081E+01 1.2450E+01 O6 5509 15.999400 -0.847600 2.8482E+00 1.2236E+01 4.7599E+00 H1 5510 1.008000 0.423800 3.6867E+00 1.2215E+01 5.3044E+00 H2 5511 1.008000 0.423800 2.2520E+00 1.2966E+01 5.0940E+00 O6 5512 15.999400 -0.847600 -3.2764E+00 -1.4686E+01 -4.4743E+00 H1 5513 1.008000 0.423800 -2.8511E+00 -1.4150E+01 -5.2032E+00 H2 5514 1.008000 0.423800 -3.0548E+00 -1.4279E+01 -3.5882E+00 O6 5515 15.999400 -0.847600 1.8050E+00 4.0895E+00 -6.3497E+00 H1 5516 1.008000 0.423800 2.4742E+00 3.3470E+00 -6.3200E+00 H2 5517 1.008000 0.423800 8.8364E-01 3.7114E+00 -6.2592E+00 O6 5518 15.999400 -0.847600 8.1208E+00 -1.9021E+01 -7.9380E+00 H1 5519 1.008000 0.423800 7.2469E+00 -1.9001E+01 -8.4238E+00 H2 5520 1.008000 0.423800 8.1781E+00 1.9242E+01 -7.3893E+00 O6 5521 15.999400 -0.847600 1.3100E+01 1.0379E+01 1.7516E+01 H1 5522 1.008000 0.423800 1.4065E+01 1.0125E+01 1.7448E+01 H2 5523 1.008000 0.423800 1.2890E+01 1.1079E+01 1.6834E+01 O6 5524 15.999400 -0.847600 -9.1984E+00 -1.9183E+01 -1.2701E+01 H1 5525 1.008000 0.423800 -9.9084E+00 -1.8915E+01 -1.2050E+01 H2 5526 1.008000 0.423800 -8.3029E+00 -1.8913E+01 -1.2348E+01 O6 5527 15.999400 -0.847600 -2.5273E+00 9.7595E+00 -1.8847E+01 H1 5528 1.008000 0.423800 -1.8173E+00 9.2132E+00 -1.8403E+01 H2 5529 1.008000 0.423800 -3.0975E+00 9.1661E+00 -1.9416E+01 O6 5530 15.999400 -0.847600 1.6502E+01 3.5031E+00 -1.7255E+01 H1 5531 1.008000 0.423800 1.6018E+01 2.7059E+00 -1.7617E+01 H2 5532 1.008000 0.423800 1.5996E+01 3.8738E+00 -1.6475E+01 O6 5533 15.999400 -0.847600 8.3690E+00 -1.7992E+01 3.3928E+00 H1 5534 1.008000 0.423800 8.5085E+00 -1.7442E+01 4.2164E+00 H2 5535 1.008000 0.423800 7.7720E+00 -1.7499E+01 2.7601E+00 O6 5536 15.999400 -0.847600 -6.1067E+00 1.5888E+01 -9.2109E-01 H1 5537 1.008000 0.423800 -6.8619E+00 1.6514E+01 -7.2568E-01 H2 5538 1.008000 0.423800 -5.2426E+00 1.6391E+01 -8.9695E-01 O6 5539 15.999400 -0.847600 4.1109E+00 1.8365E+00 -7.5803E+00 H1 5540 1.008000 0.423800 3.7025E+00 1.4172E+00 -6.7695E+00 H2 5541 1.008000 0.423800 4.8489E+00 1.2540E+00 -7.9209E+00 O6 5542 15.999400 -0.847600 -1.9316E+01 -6.6394E+00 -1.8702E+01 H1 5543 1.008000 0.423800 -1.8375E+01 -6.7741E+00 -1.9011E+01 H2 5544 1.008000 0.423800 1.9339E+01 -5.9486E+00 -1.9274E+01 O6 5545 15.999400 -0.847600 -1.7914E+01 2.8864E+00 7.0172E+00 H1 5546 1.008000 0.423800 -1.7563E+01 3.6909E+00 6.5375E+00 H2 5547 1.008000 0.423800 -1.7252E+01 2.1400E+00 6.9434E+00 O6 5548 15.999400 -0.847600 8.2385E+00 -1.6286E+01 -1.7675E+01 H1 5549 1.008000 0.423800 7.9581E+00 -1.5424E+01 -1.8098E+01 H2 5550 1.008000 0.423800 9.2330E+00 -1.6298E+01 -1.7571E+01 O6 5551 15.999400 -0.847600 8.4181E+00 1.7648E+01 -1.3053E+01 H1 5552 1.008000 0.423800 8.2927E+00 1.7008E+01 -1.3811E+01 H2 5553 1.008000 0.423800 7.5276E+00 1.7880E+01 -1.2661E+01 O6 5554 15.999400 -0.847600 9.9062E+00 1.3988E+01 -1.4289E+00 H1 5555 1.008000 0.423800 1.0398E+01 1.4735E+01 -1.8771E+00 H2 5556 1.008000 0.423800 1.0324E+01 1.3800E+01 -5.4023E-01 O6 5557 15.999400 -0.847600 -1.6646E+01 1.7760E+01 -3.7855E+00 H1 5558 1.008000 0.423800 -1.6310E+01 1.7738E+01 -4.7270E+00 H2 5559 1.008000 0.423800 -1.6777E+01 1.8709E+01 -3.5002E+00 O6 5560 15.999400 -0.847600 1.6634E+00 1.5042E+01 -4.1121E+00 H1 5561 1.008000 0.423800 1.3238E+00 1.4706E+01 -4.9908E+00 H2 5562 1.008000 0.423800 2.2693E+00 1.4358E+01 -3.7057E+00 O6 5563 15.999400 -0.847600 -7.6994E+00 1.7943E+01 -1.6560E-01 H1 5564 1.008000 0.423800 -8.6445E+00 1.8228E+01 -5.2501E-03 H2 5565 1.008000 0.423800 -7.1107E+00 1.8750E+01 -2.0947E-01 O6 5566 15.999400 -0.847600 2.8779E+00 -7.1393E+00 -1.5253E+01 H1 5567 1.008000 0.423800 2.7028E+00 -6.8901E+00 -1.6205E+01 H2 5568 1.008000 0.423800 3.2694E+00 -8.0587E+00 -1.5215E+01 O6 5569 15.999400 -0.847600 1.0335E+01 -1.5120E+00 7.9999E+00 H1 5570 1.008000 0.423800 1.1106E+01 -1.1500E+00 8.5240E+00 H2 5571 1.008000 0.423800 9.6138E+00 -1.8054E+00 8.6274E+00 O6 5572 15.999400 -0.847600 7.0291E+00 -7.7392E+00 -2.5130E+00 H1 5573 1.008000 0.423800 7.5040E+00 -7.2088E+00 -1.8107E+00 H2 5574 1.008000 0.423800 7.4736E+00 -8.6289E+00 -2.6162E+00 O6 5575 15.999400 -0.847600 -1.6192E+01 -1.5894E+01 1.8352E+01 H1 5576 1.008000 0.423800 -1.6094E+01 -1.5734E+01 1.9335E+01 H2 5577 1.008000 0.423800 -1.5819E+01 -1.6794E+01 1.8123E+01 O6 5578 15.999400 -0.847600 -1.8557E+01 -1.5770E+01 -2.4405E+00 H1 5579 1.008000 0.423800 -1.9229E+01 -1.6388E+01 -2.8475E+00 H2 5580 1.008000 0.423800 -1.7984E+01 -1.6277E+01 -1.7971E+00 O6 5581 15.999400 -0.847600 6.9971E+00 -3.8709E+00 -4.8196E+00 H1 5582 1.008000 0.423800 7.2122E+00 -4.8448E+00 -4.8930E+00 H2 5583 1.008000 0.423800 6.0399E+00 -3.7214E+00 -5.0672E+00 O6 5584 15.999400 -0.847600 1.6925E+01 1.9819E+00 -7.4893E+00 H1 5585 1.008000 0.423800 1.7721E+01 2.3151E+00 -6.9836E+00 H2 5586 1.008000 0.423800 1.6183E+01 1.7832E+00 -6.8494E+00 O6 5587 15.999400 -0.847600 -6.5191E+00 2.7668E+00 -8.4368E+00 H1 5588 1.008000 0.423800 -7.3501E+00 2.5546E+00 -8.9511E+00 H2 5589 1.008000 0.423800 -5.8534E+00 3.2011E+00 -9.0436E+00 O6 5590 15.999400 -0.847600 2.0997E-01 -1.1800E+01 -6.7642E+00 H1 5591 1.008000 0.423800 7.3182E-01 -1.1770E+01 -7.6168E+00 H2 5592 1.008000 0.423800 7.8592E-01 -1.2167E+01 -6.0336E+00 O6 5593 15.999400 -0.847600 -2.9721E+00 1.3429E+01 1.0466E+00 H1 5594 1.008000 0.423800 -3.9307E+00 1.3571E+01 7.9966E-01 H2 5595 1.008000 0.423800 -2.8693E+00 1.2536E+01 1.4847E+00 O6 5596 15.999400 -0.847600 -1.3709E+01 -1.2177E+01 7.6652E+00 H1 5597 1.008000 0.423800 -1.3770E+01 -1.3149E+01 7.4411E+00 H2 5598 1.008000 0.423800 -1.2854E+01 -1.2000E+01 8.1529E+00 O6 5599 15.999400 -0.847600 1.2093E+01 -5.6428E+00 1.0019E+01 H1 5600 1.008000 0.423800 1.2606E+01 -4.8038E+00 9.8367E+00 H2 5601 1.008000 0.423800 1.2679E+01 -6.4351E+00 9.8480E+00 O6 5602 15.999400 -0.847600 4.7639E+00 1.9222E+01 -1.8218E+01 H1 5603 1.008000 0.423800 4.5929E+00 -1.9259E+01 -1.8987E+01 H2 5604 1.008000 0.423800 4.9614E+00 1.8305E+01 -1.8564E+01 O6 5605 15.999400 -0.847600 3.4656E+00 -1.1636E+01 1.9464E+01 H1 5606 1.008000 0.423800 4.1656E+00 -1.1323E+01 1.8822E+01 H2 5607 1.008000 0.423800 3.0307E+00 -1.0844E+01 -1.9204E+01 O6 5608 15.999400 -0.847600 -1.0010E+01 4.7782E+00 7.0483E+00 H1 5609 1.008000 0.423800 -9.8521E+00 3.8052E+00 6.8800E+00 H2 5610 1.008000 0.423800 -1.0474E+01 4.8935E+00 7.9266E+00 O6 5611 15.999400 -0.847600 2.0680E+00 7.4863E+00 -1.7918E+01 H1 5612 1.008000 0.423800 2.3681E+00 8.3810E+00 -1.8249E+01 H2 5613 1.008000 0.423800 2.4109E+00 6.7729E+00 -1.8529E+01 O6 5614 15.999400 -0.847600 1.7323E+01 5.6899E+00 1.8842E+00 H1 5615 1.008000 0.423800 1.6480E+01 6.1456E+00 1.5987E+00 H2 5616 1.008000 0.423800 1.7098E+01 4.8490E+00 2.3760E+00 O6 5617 15.999400 -0.847600 1.7585E+00 -4.1521E+00 -1.1916E+01 H1 5618 1.008000 0.423800 1.0815E+00 -4.8680E+00 -1.2086E+01 H2 5619 1.008000 0.423800 1.4017E+00 -3.5110E+00 -1.1236E+01 O6 5620 15.999400 -0.847600 1.6477E+01 -1.1334E+01 -1.8442E+01 H1 5621 1.008000 0.423800 1.6782E+01 -1.0498E+01 -1.8898E+01 H2 5622 1.008000 0.423800 1.5556E+01 -1.1567E+01 -1.8754E+01 O6 5623 15.999400 -0.847600 -1.3257E-01 5.7471E+00 7.7352E-01 H1 5624 1.008000 0.423800 4.0060E-01 6.2943E+00 1.2826E-01 H2 5625 1.008000 0.423800 -1.6039E-01 4.7974E+00 4.6165E-01 O6 5626 15.999400 -0.847600 1.0351E+01 1.9534E+01 -1.3607E+01 H1 5627 1.008000 0.423800 1.0084E+01 -1.8709E+01 -1.3160E+01 H2 5628 1.008000 0.423800 9.6637E+00 1.8832E+01 -1.3421E+01 O6 5629 15.999400 -0.847600 3.8829E+00 -1.3188E+01 -9.3349E+00 H1 5630 1.008000 0.423800 4.5654E+00 -1.3244E+01 -1.0064E+01 H2 5631 1.008000 0.423800 4.1956E+00 -1.3715E+01 -8.5448E+00 O6 5632 15.999400 -0.847600 -3.7533E-01 4.6910E+00 -1.3581E+01 H1 5633 1.008000 0.423800 -2.9642E-01 5.6847E+00 -1.3501E+01 H2 5634 1.008000 0.423800 -1.2981E+00 4.4532E+00 -1.3884E+01 O6 5635 15.999400 -0.847600 1.1135E+01 1.7305E+01 -1.6993E+01 H1 5636 1.008000 0.423800 1.1874E+01 1.6995E+01 -1.6395E+01 H2 5637 1.008000 0.423800 1.0607E+01 1.6515E+01 -1.7306E+01 O6 5638 15.999400 -0.847600 -5.6590E+00 -5.2584E+00 -1.5787E+01 H1 5639 1.008000 0.423800 -6.4620E+00 -5.8539E+00 -1.5812E+01 H2 5640 1.008000 0.423800 -4.9907E+00 -5.6275E+00 -1.5141E+01 O6 5641 15.999400 -0.847600 3.9086E+00 9.7293E+00 3.0884E+00 H1 5642 1.008000 0.423800 4.6067E+00 9.9205E+00 2.3983E+00 H2 5643 1.008000 0.423800 3.7956E+00 1.0529E+01 3.6784E+00 O6 5644 15.999400 -0.847600 1.5855E+01 1.8817E+01 7.8503E+00 H1 5645 1.008000 0.423800 1.5766E+01 -1.9471E+01 8.4306E+00 H2 5646 1.008000 0.423800 1.6101E+01 1.9098E+01 6.9225E+00 O6 5647 15.999400 -0.847600 9.5240E+00 -1.8180E+01 1.3441E+01 H1 5648 1.008000 0.423800 8.8918E+00 -1.8946E+01 1.3558E+01 H2 5649 1.008000 0.423800 1.0464E+01 -1.8520E+01 1.3452E+01 O6 5650 15.999400 -0.847600 -6.9133E+00 -1.0859E+01 5.5533E+00 H1 5651 1.008000 0.423800 -7.6242E+00 -1.1538E+01 5.3686E+00 H2 5652 1.008000 0.423800 -6.1850E+00 -1.1279E+01 6.0953E+00 O6 5653 15.999400 -0.847600 -6.7795E+00 6.7340E+00 -1.0610E+01 H1 5654 1.008000 0.423800 -5.9882E+00 7.0632E+00 -1.1126E+01 H2 5655 1.008000 0.423800 -7.0745E+00 7.4394E+00 -9.9660E+00 O6 5656 15.999400 -0.847600 1.4978E+01 -7.0421E+00 4.6455E+00 H1 5657 1.008000 0.423800 1.4213E+01 -7.2651E+00 5.2502E+00 H2 5658 1.008000 0.423800 1.4651E+01 -6.4728E+00 3.8912E+00 O6 5659 15.999400 -0.847600 -1.6080E+01 1.4160E+01 1.5678E+01 H1 5660 1.008000 0.423800 -1.5349E+01 1.4638E+01 1.5192E+01 H2 5661 1.008000 0.423800 -1.5935E+01 1.3173E+01 1.5610E+01 O6 5662 15.999400 -0.847600 -4.4536E+00 -9.8077E+00 9.9787E-01 H1 5663 1.008000 0.423800 -3.8999E+00 -9.4579E+00 1.7536E+00 H2 5664 1.008000 0.423800 -5.0961E+00 -1.0491E+01 1.3440E+00 O6 5665 15.999400 -0.847600 6.8745E+00 -6.7635E-02 9.0975E+00 H1 5666 1.008000 0.423800 7.3722E+00 -9.2331E-01 8.9555E+00 H2 5667 1.008000 0.423800 6.3828E+00 1.7470E-01 8.2612E+00 O6 5668 15.999400 -0.847600 1.5825E+01 1.0571E+00 -1.8524E+01 H1 5669 1.008000 0.423800 1.6616E+01 5.6262E-01 -1.8163E+01 H2 5670 1.008000 0.423800 1.5095E+01 4.0795E-01 -1.8738E+01 O6 5671 15.999400 -0.847600 3.8889E+00 1.3827E+00 1.3143E+01 H1 5672 1.008000 0.423800 3.4836E+00 2.2829E+00 1.3302E+01 H2 5673 1.008000 0.423800 3.9417E+00 1.2106E+00 1.2159E+01 O6 5674 15.999400 -0.847600 -1.0439E+00 1.4701E+01 4.8663E+00 H1 5675 1.008000 0.423800 -1.2144E-01 1.4950E+01 5.1610E+00 H2 5676 1.008000 0.423800 -1.2735E+00 1.3795E+01 5.2213E+00 O6 5677 15.999400 -0.847600 -1.3060E+01 -8.0336E+00 1.3284E+01 H1 5678 1.008000 0.423800 -1.3884E+01 -8.0753E+00 1.2719E+01 H2 5679 1.008000 0.423800 -1.2590E+01 -7.1655E+00 1.3125E+01 O6 5680 15.999400 -0.847600 -1.6887E+01 -7.9628E+00 6.0560E+00 H1 5681 1.008000 0.423800 -1.5959E+01 -8.2319E+00 6.3130E+00 H2 5682 1.008000 0.423800 -1.7013E+01 -8.0963E+00 5.0730E+00 O6 5683 15.999400 -0.847600 1.5279E+00 1.4398E+01 5.5855E+00 H1 5684 1.008000 0.423800 2.1827E+00 1.5148E+01 5.6826E+00 H2 5685 1.008000 0.423800 1.5485E+00 1.3829E+01 6.4075E+00 O6 5686 15.999400 -0.847600 -2.6811E+00 -3.8271E+00 -1.7601E+01 H1 5687 1.008000 0.423800 -2.4898E+00 -3.0315E+00 -1.8176E+01 H2 5688 1.008000 0.423800 -3.2437E+00 -4.4785E+00 -1.8110E+01 O6 5689 15.999400 -0.847600 -3.2962E+00 1.2805E+01 1.0455E+01 H1 5690 1.008000 0.423800 -4.0451E+00 1.3371E+01 1.0111E+01 H2 5691 1.008000 0.423800 -2.4298E+00 1.3290E+01 1.0336E+01 O6 5692 15.999400 -0.847600 1.0557E+01 -1.4971E+01 -5.9744E+00 H1 5693 1.008000 0.423800 1.0281E+01 -1.4011E+01 -6.0097E+00 H2 5694 1.008000 0.423800 9.7804E+00 -1.5551E+01 -6.2203E+00 O6 5695 15.999400 -0.847600 -9.9760E+00 -1.7095E+01 1.4293E+00 H1 5696 1.008000 0.423800 -9.5821E+00 -1.6203E+01 1.2099E+00 H2 5697 1.008000 0.423800 -1.0906E+01 -1.7148E+01 1.0646E+00 O6 5698 15.999400 -0.847600 -1.6849E+01 1.4276E+01 -1.8214E+01 H1 5699 1.008000 0.423800 -1.6204E+01 1.4857E+01 -1.8711E+01 H2 5700 1.008000 0.423800 -1.6626E+01 1.3315E+01 -1.8379E+01 O6 5701 15.999400 -0.847600 -1.6660E+01 1.2107E+01 4.0309E+00 H1 5702 1.008000 0.423800 -1.7130E+01 1.1411E+01 4.5735E+00 H2 5703 1.008000 0.423800 -1.5771E+01 1.1756E+01 3.7363E+00 O6 5704 15.999400 -0.847600 -1.0779E+01 9.6289E+00 1.9319E+01 H1 5705 1.008000 0.423800 -1.1100E+01 1.0320E+01 -1.9132E+01 H2 5706 1.008000 0.423800 -1.1553E+01 9.0772E+00 1.9008E+01 O6 5707 15.999400 -0.847600 -3.5750E+00 -3.8468E+00 1.3212E+01 H1 5708 1.008000 0.423800 -3.9578E+00 -4.6453E+00 1.3677E+01 H2 5709 1.008000 0.423800 -4.2299E+00 -3.5087E+00 1.2536E+01 O6 5710 15.999400 -0.847600 7.7852E+00 6.4626E-02 -1.5630E+00 H1 5711 1.008000 0.423800 8.0604E+00 -7.9299E-01 -1.1285E+00 H2 5712 1.008000 0.423800 7.9686E+00 8.2667E-01 -9.4198E-01 O6 5713 15.999400 -0.847600 7.6507E+00 1.8414E+01 3.9545E+00 H1 5714 1.008000 0.423800 8.1184E+00 1.9298E+01 3.9547E+00 H2 5715 1.008000 0.423800 7.1229E+00 1.8317E+01 3.1107E+00 O6 5716 15.999400 -0.847600 6.4680E+00 -1.6251E+01 2.0721E+00 H1 5717 1.008000 0.423800 6.5839E+00 -1.5514E+01 2.7378E+00 H2 5718 1.008000 0.423800 5.5096E+00 -1.6536E+01 2.0537E+00 O6 5719 15.999400 -0.847600 1.7276E+01 1.2300E+01 -1.4902E+01 H1 5720 1.008000 0.423800 1.7396E+01 1.1857E+01 -1.5790E+01 H2 5721 1.008000 0.423800 1.6394E+01 1.2770E+01 -1.4880E+01 O6 5722 15.999400 -0.847600 5.5714E+00 1.2033E+01 5.8737E+00 H1 5723 1.008000 0.423800 5.2514E+00 1.1561E+01 6.6947E+00 H2 5724 1.008000 0.423800 6.3010E+00 1.1500E+01 5.4451E+00 O6 5725 15.999400 -0.847600 -4.6886E+00 -1.2024E+01 6.5552E+00 H1 5726 1.008000 0.423800 -4.2247E+00 -1.2481E+01 7.3141E+00 H2 5727 1.008000 0.423800 -4.1534E+00 -1.1230E+01 6.2673E+00 O6 5728 15.999400 -0.847600 1.5110E+01 -5.1327E+00 -1.3827E+01 H1 5729 1.008000 0.423800 1.5117E+01 -5.6161E+00 -1.2952E+01 H2 5730 1.008000 0.423800 1.6035E+01 -4.8243E+00 -1.4046E+01 O6 5731 15.999400 -0.847600 1.3739E+01 -5.8608E+00 -8.9641E+00 H1 5732 1.008000 0.423800 1.4364E+01 -6.4915E+00 -8.5034E+00 H2 5733 1.008000 0.423800 1.2977E+01 -5.6419E+00 -8.3546E+00 O6 5734 15.999400 -0.847600 9.5241E+00 1.9495E+01 -1.6048E+01 H1 5735 1.008000 0.423800 9.8836E+00 -1.9512E+01 -1.5119E+01 H2 5736 1.008000 0.423800 1.0005E+01 1.8757E+01 -1.6521E+01 O6 5737 15.999400 -0.847600 1.4171E+01 1.3922E+01 -1.2688E+01 H1 5738 1.008000 0.423800 1.4658E+01 1.4795E+01 -1.2644E+01 H2 5739 1.008000 0.423800 1.4398E+01 1.3373E+01 -1.1884E+01 O6 5740 15.999400 -0.847600 5.7964E+00 3.8806E-01 -5.5266E+00 H1 5741 1.008000 0.423800 5.6729E+00 -2.5758E-01 -6.2802E+00 H2 5742 1.008000 0.423800 6.6541E+00 8.8666E-01 -5.6521E+00 O6 5743 15.999400 -0.847600 -1.6312E+01 7.8994E+00 1.8030E+01 H1 5744 1.008000 0.423800 -1.6020E+01 7.3343E+00 1.8802E+01 H2 5745 1.008000 0.423800 -1.6404E+01 7.3281E+00 1.7215E+01 O6 5746 15.999400 -0.847600 1.3852E+01 3.9117E-01 -8.6221E+00 H1 5747 1.008000 0.423800 1.4181E+01 -5.4852E-01 -8.5280E+00 H2 5748 1.008000 0.423800 1.3190E+01 4.3920E-01 -9.3700E+00 O6 5749 15.999400 -0.847600 9.0461E+00 -1.3315E+01 5.9883E-01 H1 5750 1.008000 0.423800 9.7382E+00 -1.3093E+01 1.2855E+00 H2 5751 1.008000 0.423800 8.1940E+00 -1.2840E+01 8.1837E-01 O6 5752 15.999400 -0.847600 -1.4857E+01 -1.3452E+01 -1.0467E+00 H1 5753 1.008000 0.423800 -1.5609E+01 -1.2866E+01 -1.3490E+00 H2 5754 1.008000 0.423800 -1.3999E+01 -1.2940E+01 -1.0852E+00 O6 5755 15.999400 -0.847600 -9.2980E+00 -1.3728E+01 -1.8385E+01 H1 5756 1.008000 0.423800 -9.1016E+00 -1.4698E+01 -1.8240E+01 H2 5757 1.008000 0.423800 -8.7874E+00 -1.3400E+01 -1.9180E+01 O6 5758 15.999400 -0.847600 9.3918E+00 9.7312E+00 -1.0558E+01 H1 5759 1.008000 0.423800 8.6596E+00 9.6355E+00 -1.1233E+01 H2 5760 1.008000 0.423800 9.7041E+00 1.0681E+01 -1.0538E+01 O6 5761 15.999400 -0.847600 1.6174E+01 -1.8571E+01 -1.0741E+01 H1 5762 1.008000 0.423800 1.6372E+01 -1.7982E+01 -9.9562E+00 H2 5763 1.008000 0.423800 1.5234E+01 -1.8905E+01 -1.0678E+01 O6 5764 15.999400 -0.847600 3.9218E+00 1.5319E+01 -1.5675E+01 H1 5765 1.008000 0.423800 3.7620E+00 1.4388E+01 -1.5345E+01 H2 5766 1.008000 0.423800 3.2017E+00 1.5922E+01 -1.5332E+01 O6 5767 15.999400 -0.847600 -3.0735E+00 1.0980E+01 2.2131E+00 H1 5768 1.008000 0.423800 -3.3997E+00 1.0231E+01 2.7893E+00 H2 5769 1.008000 0.423800 -2.0737E+00 1.0973E+01 2.1914E+00 O6 5770 15.999400 -0.847600 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-1.0682E+01 7.6955E+00 H2 5787 1.008000 0.423800 1.1425E+01 -1.0958E+01 8.7662E+00 O6 5788 15.999400 -0.847600 1.1874E+01 1.0167E+01 -1.7365E+01 H1 5789 1.008000 0.423800 1.2453E+01 1.0981E+01 -1.7411E+01 H2 5790 1.008000 0.423800 1.1705E+01 9.8252E+00 -1.8290E+01 O6 5791 15.999400 -0.847600 6.6859E+00 -1.0334E+01 5.5811E+00 H1 5792 1.008000 0.423800 6.8291E+00 -9.4390E+00 5.1584E+00 H2 5793 1.008000 0.423800 5.7071E+00 -1.0537E+01 5.6084E+00 O6 5794 15.999400 -0.847600 -1.7705E+01 -6.9035E-01 2.1565E+00 H1 5795 1.008000 0.423800 -1.7819E+01 1.7909E-03 2.8692E+00 H2 5796 1.008000 0.423800 -1.6778E+01 -6.3645E-01 1.7853E+00 O6 5797 15.999400 -0.847600 -1.6804E+01 -1.7687E+01 -5.3477E+00 H1 5798 1.008000 0.423800 -1.6408E+01 -1.6945E+01 -5.8875E+00 H2 5799 1.008000 0.423800 -1.7367E+01 -1.8265E+01 -5.9387E+00 O6 5800 15.999400 -0.847600 -8.6764E+00 -8.3503E+00 1.3746E+01 H1 5801 1.008000 0.423800 -8.3112E+00 -8.6036E+00 1.2850E+01 H2 5802 1.008000 0.423800 -8.6780E+00 -9.1518E+00 1.4344E+01 O6 5803 15.999400 -0.847600 1.3634E+01 9.4632E+00 9.7970E+00 H1 5804 1.008000 0.423800 1.3917E+01 8.6465E+00 1.0300E+01 H2 5805 1.008000 0.423800 1.2870E+01 9.8997E+00 1.0272E+01 O6 5806 15.999400 -0.847600 6.8969E+00 -1.3430E+01 3.7943E+00 H1 5807 1.008000 0.423800 7.4251E+00 -1.2776E+01 4.3363E+00 H2 5808 1.008000 0.423800 6.4173E+00 -1.4059E+01 4.4059E+00 O6 5809 15.999400 -0.847600 3.5928E-01 -3.8927E+00 -1.4633E+01 H1 5810 1.008000 0.423800 -1.9001E-01 -3.1409E+00 -1.4268E+01 H2 5811 1.008000 0.423800 1.2091E+00 -3.9682E+00 -1.4112E+01 O6 5812 15.999400 -0.847600 8.0118E-01 -1.6174E+01 -4.7509E+00 H1 5813 1.008000 0.423800 3.3056E-01 -1.6337E+01 -3.8837E+00 H2 5814 1.008000 0.423800 1.6849E+00 -1.6642E+01 -4.7437E+00 O6 5815 15.999400 -0.847600 2.8300E+00 3.1903E+00 -1.7130E+01 H1 5816 1.008000 0.423800 2.7357E+00 3.9739E+00 -1.7744E+01 H2 5817 1.008000 0.423800 2.5540E+00 3.4557E+00 -1.6206E+01 O6 5818 15.999400 -0.847600 1.8395E+01 1.6701E+01 6.7328E+00 H1 5819 1.008000 0.423800 1.8807E+01 1.5847E+01 6.4147E+00 H2 5820 1.008000 0.423800 1.7739E+01 1.6503E+01 7.4614E+00 O6 5821 15.999400 -0.847600 7.8740E+00 1.9282E+01 -3.7276E+00 H1 5822 1.008000 0.423800 8.8078E+00 -1.9519E+01 -3.9288E+00 H2 5823 1.008000 0.423800 7.8689E+00 1.8300E+01 -3.5409E+00 O6 5824 15.999400 -0.847600 1.6046E+01 1.4982E+01 -1.8103E+01 H1 5825 1.008000 0.423800 1.5896E+01 1.4979E+01 -1.9092E+01 H2 5826 1.008000 0.423800 1.7025E+01 1.4903E+01 -1.7914E+01 O6 5827 15.999400 -0.847600 2.1488E+00 4.0653E+00 -1.4598E+01 H1 5828 1.008000 0.423800 2.4207E+00 4.9689E+00 -1.4929E+01 H2 5829 1.008000 0.423800 1.2408E+00 4.1218E+00 -1.4183E+01 O6 5830 15.999400 -0.847600 1.2709E+01 -4.2025E+00 -8.8117E-01 H1 5831 1.008000 0.423800 1.2953E+01 -3.4586E+00 -2.5890E-01 H2 5832 1.008000 0.423800 1.2379E+01 -4.9847E+00 -3.5252E-01 O6 5833 15.999400 -0.847600 1.0942E+01 7.1092E+00 -1.6063E+00 H1 5834 1.008000 0.423800 1.0207E+01 7.7855E+00 -1.6494E+00 H2 5835 1.008000 0.423800 1.0793E+01 6.4096E+00 -2.3050E+00 O6 5836 15.999400 -0.847600 -1.9821E+00 -1.4170E+01 -1.3714E+01 H1 5837 1.008000 0.423800 -2.1020E+00 -1.4184E+01 -1.4707E+01 H2 5838 1.008000 0.423800 -1.7786E+00 -1.5094E+01 -1.3390E+01 O6 5839 15.999400 -0.847600 1.5974E+01 -1.0784E+01 7.2074E+00 H1 5840 1.008000 0.423800 1.6117E+01 -1.0118E+01 6.4755E+00 H2 5841 1.008000 0.423800 1.6252E+01 -1.1691E+01 6.8911E+00 O6 5842 15.999400 -0.847600 -1.1935E+01 3.4990E+00 -1.4819E+01 H1 5843 1.008000 0.423800 -1.1344E+01 3.1573E+00 -1.5551E+01 H2 5844 1.008000 0.423800 -1.1626E+01 3.1314E+00 -1.3942E+01 O6 5845 15.999400 -0.847600 9.2433E-01 1.8165E+01 -1.7668E+01 H1 5846 1.008000 0.423800 -1.4833E-02 1.7825E+01 -1.7716E+01 H2 5847 1.008000 0.423800 9.5233E-01 1.9112E+01 -1.7987E+01 O6 5848 15.999400 -0.847600 -5.7955E+00 -1.0763E+01 1.4248E+01 H1 5849 1.008000 0.423800 -6.6619E+00 -1.1187E+01 1.3984E+01 H2 5850 1.008000 0.423800 -5.0402E+00 -1.1375E+01 1.4016E+01 O6 5851 15.999400 -0.847600 1.5599E+01 -1.6847E+01 5.5681E+00 H1 5852 1.008000 0.423800 1.6173E+01 -1.7652E+01 5.7172E+00 H2 5853 1.008000 0.423800 1.4992E+01 -1.7010E+01 4.7900E+00 O6 5854 15.999400 -0.847600 1.4295E+01 -6.2889E+00 1.8139E+01 H1 5855 1.008000 0.423800 1.3346E+01 -6.6017E+00 1.8100E+01 H2 5856 1.008000 0.423800 1.4681E+01 -6.5086E+00 1.9034E+01 O6 5857 15.999400 -0.847600 7.0497E+00 1.3995E+01 1.4313E+00 H1 5858 1.008000 0.423800 6.2076E+00 1.4462E+01 1.7015E+00 H2 5859 1.008000 0.423800 7.8296E+00 1.4604E+01 1.5775E+00 O6 5860 15.999400 -0.847600 6.1839E+00 6.8461E+00 -1.0639E+01 H1 5861 1.008000 0.423800 5.4417E+00 7.0264E+00 -1.1284E+01 H2 5862 1.008000 0.423800 5.8583E+00 6.9983E+00 -9.7056E+00 O6 5863 15.999400 -0.847600 4.4222E+00 7.1347E+00 3.8337E+00 H1 5864 1.008000 0.423800 4.2607E+00 6.9975E+00 4.8110E+00 H2 5865 1.008000 0.423800 4.1499E+00 8.0622E+00 3.5779E+00 O6 5866 15.999400 -0.847600 1.1704E+01 4.1470E+00 1.4806E+00 H1 5867 1.008000 0.423800 1.1875E+01 3.7038E+00 6.0050E-01 H2 5868 1.008000 0.423800 1.1413E+01 5.0913E+00 1.3272E+00 O6 5869 15.999400 -0.847600 -3.0298E+00 4.0176E+00 -1.3904E+01 H1 5870 1.008000 0.423800 -3.4546E+00 4.8960E+00 -1.3685E+01 H2 5871 1.008000 0.423800 -3.4443E+00 3.2986E+00 -1.3346E+01 O6 5872 15.999400 -0.847600 -1.9141E+01 7.3379E+00 1.6949E+01 H1 5873 1.008000 0.423800 -1.8190E+01 7.2104E+00 1.6667E+01 H2 5874 1.008000 0.423800 1.9518E+01 8.0094E+00 1.6352E+01 O6 5875 15.999400 -0.847600 1.3418E+01 -1.3590E+01 8.7769E+00 H1 5876 1.008000 0.423800 1.2854E+01 -1.2827E+01 8.4622E+00 H2 5877 1.008000 0.423800 1.3634E+01 -1.4186E+01 8.0033E+00 O6 5878 15.999400 -0.847600 1.7769E+01 -1.3371E+01 -9.7403E+00 H1 5879 1.008000 0.423800 1.7567E+01 -1.2392E+01 -9.7596E+00 H2 5880 1.008000 0.423800 1.6999E+01 -1.3878E+01 -1.0126E+01 O6 5881 15.999400 -0.847600 1.6166E+01 1.1977E+01 -9.4599E-01 H1 5882 1.008000 0.423800 1.6706E+01 1.2027E+01 -1.0573E-01 H2 5883 1.008000 0.423800 1.6572E+01 1.2572E+01 -1.6392E+00 O6 5884 15.999400 -0.847600 -1.4678E+01 1.2447E+01 -9.6606E+00 H1 5885 1.008000 0.423800 -1.4556E+01 1.1724E+01 -1.0341E+01 H2 5886 1.008000 0.423800 -1.5281E+01 1.2122E+01 -8.9325E+00 O6 5887 15.999400 -0.847600 1.1713E+01 8.4025E+00 -1.1654E+01 H1 5888 1.008000 0.423800 1.0722E+01 8.4143E+00 -1.1517E+01 H2 5889 1.008000 0.423800 1.2015E+01 9.2981E+00 -1.1981E+01 O6 5890 15.999400 -0.847600 5.3469E+00 -3.1563E+00 1.1702E+01 H1 5891 1.008000 0.423800 5.5239E+00 -3.4582E+00 1.0765E+01 H2 5892 1.008000 0.423800 4.3949E+00 -2.8612E+00 1.1783E+01 O6 5893 15.999400 -0.847600 1.5356E+01 1.3800E+01 1.0969E+01 H1 5894 1.008000 0.423800 1.5035E+01 1.4734E+01 1.1129E+01 H2 5895 1.008000 0.423800 1.6346E+01 1.3808E+01 1.0831E+01 O6 5896 15.999400 -0.847600 4.2127E+00 -1.1542E+01 5.7280E+00 H1 5897 1.008000 0.423800 3.9198E+00 -1.0683E+01 5.3076E+00 H2 5898 1.008000 0.423800 3.9783E+00 -1.2305E+01 5.1256E+00 O6 5899 15.999400 -0.847600 -1.8686E+01 -2.6554E+00 -1.0243E+01 H1 5900 1.008000 0.423800 -1.9238E+01 -3.3137E+00 -1.0755E+01 H2 5901 1.008000 0.423800 -1.7857E+01 -2.4432E+00 -1.0760E+01 O6 5902 15.999400 -0.847600 3.2212E+00 -1.5445E+00 -1.0112E+01 H1 5903 1.008000 0.423800 2.3090E+00 -1.7079E+00 -9.7363E+00 H2 5904 1.008000 0.423800 3.1908E+00 -7.5984E-01 -1.0731E+01 O6 5905 15.999400 -0.847600 1.2984E+00 2.6175E-01 -1.3772E+01 H1 5906 1.008000 0.423800 7.6404E-01 9.5225E-01 -1.4260E+01 H2 5907 1.008000 0.423800 7.1798E-01 -5.2687E-01 -1.3569E+01 O6 5908 15.999400 -0.847600 -1.5987E+00 -4.2355E+00 1.5164E+01 H1 5909 1.008000 0.423800 -1.4902E+00 -3.3451E+00 1.5606E+01 H2 5910 1.008000 0.423800 -2.3779E+00 -4.2040E+00 1.4538E+01 O6 5911 15.999400 -0.847600 -1.3986E+01 1.8727E+01 -2.2038E+00 H1 5912 1.008000 0.423800 -1.3531E+01 1.8517E+01 -3.0692E+00 H2 5913 1.008000 0.423800 -1.4177E+01 1.7878E+01 -1.7124E+00 O6 5914 15.999400 -0.847600 5.4606E+00 -5.4918E+00 1.7687E+01 H1 5915 1.008000 0.423800 5.5810E+00 -6.1098E+00 1.8463E+01 H2 5916 1.008000 0.423800 4.6785E+00 -5.7918E+00 1.7140E+01 O6 5917 15.999400 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8 1.008000 0.423800 1.8541E+01 1.8030E+01 -1.7146E+01 H2 9 1.008000 0.423800 1.7636E+01 1.6830E+01 -1.7786E+01 O6 10 15.999400 -0.847600 1.1706E+01 1.0391E+01 1.6902E+01 H1 11 1.008000 0.423800 1.2088E+01 1.1001E+01 1.7596E+01 H2 12 1.008000 0.423800 1.2089E+01 9.4745E+00 1.7016E+01 O6 13 15.999400 -0.847600 1.5897E+00 -1.8076E+01 -1.9008E+01 H1 14 1.008000 0.423800 7.2747E-01 -1.8524E+01 -1.9243E+01 H2 15 1.008000 0.423800 2.3288E+00 -1.8749E+01 -1.9016E+01 O6 16 15.999400 -0.847600 -5.5546E+00 -8.3643E+00 5.7578E+00 H1 17 1.008000 0.423800 -5.3970E+00 -7.4241E+00 6.0597E+00 H2 18 1.008000 0.423800 -6.5263E+00 -8.5838E+00 5.8446E+00 O6 19 15.999400 -0.847600 -1.3171E+01 4.0709E+00 -1.3484E+01 H1 20 1.008000 0.423800 -1.3967E+01 4.1836E+00 -1.4079E+01 H2 21 1.008000 0.423800 -1.2537E+01 4.8308E+00 -1.3628E+01 O6 22 15.999400 -0.847600 -1.9168E+01 1.9421E+01 1.1182E+01 H1 23 1.008000 0.423800 -1.9306E+01 -1.8697E+01 1.1324E+01 H2 24 1.008000 0.423800 1.9090E+01 1.8930E+01 1.1415E+01 O6 25 15.999400 -0.847600 6.5852E+00 1.0743E+01 1.3874E+01 H1 26 1.008000 0.423800 6.1808E+00 9.9335E+00 1.4299E+01 H2 27 1.008000 0.423800 5.8891E+00 1.1222E+01 1.3339E+01 O6 28 15.999400 -0.847600 -8.4193E+00 9.3577E+00 6.2036E+00 H1 29 1.008000 0.423800 -8.7615E+00 9.4527E+00 7.1385E+00 H2 30 1.008000 0.423800 -7.5124E+00 9.7737E+00 6.1369E+00 O6 31 15.999400 -0.847600 -2.7063E+00 -1.0069E+01 1.8376E+01 H1 32 1.008000 0.423800 -1.7600E+00 -9.9092E+00 1.8657E+01 H2 33 1.008000 0.423800 -2.8364E+00 -9.7383E+00 1.7441E+01 O6 34 15.999400 -0.847600 -1.6884E+01 -4.8172E+00 -1.1295E+01 H1 35 1.008000 0.423800 -1.7693E+01 -4.4161E+00 -1.0865E+01 H2 36 1.008000 0.423800 -1.7166E+01 -5.5451E+00 -1.1920E+01 O6 37 15.999400 -0.847600 8.2675E+00 7.1338E-01 -2.0891E+00 H1 38 1.008000 0.423800 9.1755E+00 3.6394E-01 -2.3201E+00 H2 39 1.008000 0.423800 8.3591E+00 1.5110E+00 -1.4930E+00 O6 40 15.999400 -0.847600 -1.5802E+00 -1.7985E-01 -6.1724E+00 H1 41 1.008000 0.423800 -2.1442E+00 -9.8655E-01 -5.9959E+00 H2 42 1.008000 0.423800 -6.5450E-01 -3.3892E-01 -5.8293E+00 O6 43 15.999400 -0.847600 -1.6058E+00 -7.4460E+00 7.2816E+00 H1 44 1.008000 0.423800 -1.8849E+00 -7.7820E+00 6.3820E+00 H2 45 1.008000 0.423800 -2.1305E+00 -7.9169E+00 7.9908E+00 O6 46 15.999400 -0.847600 1.1053E+00 2.8026E-01 -4.8120E+00 H1 47 1.008000 0.423800 1.8826E+00 6.5689E-02 -4.2205E+00 H2 48 1.008000 0.423800 1.3902E+00 2.2690E-01 -5.7691E+00 O6 49 15.999400 -0.847600 -1.1615E+01 -9.6882E+00 -7.2786E+00 H1 50 1.008000 0.423800 -1.1132E+01 -9.1454E+00 -7.9654E+00 H2 51 1.008000 0.423800 -1.2463E+01 -1.0044E+01 -7.6714E+00 O6 52 15.999400 -0.847600 -1.7582E+01 -8.7036E+00 6.1901E+00 H1 53 1.008000 0.423800 -1.8299E+01 -8.1793E+00 6.6489E+00 H2 54 1.008000 0.423800 -1.6729E+01 -8.1815E+00 6.2004E+00 O6 55 15.999400 -0.847600 -1.5030E+01 -3.4714E+00 -1.5873E+01 H1 56 1.008000 0.423800 -1.4381E+01 -3.6113E+00 -1.5125E+01 H2 57 1.008000 0.423800 -1.5963E+01 -3.5085E+00 -1.5516E+01 O6 58 15.999400 -0.847600 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-3.3110E+00 1.5736E+01 1.0734E+01 O6 76 15.999400 -0.847600 7.0134E+00 4.8010E+00 -5.4669E+00 H1 77 1.008000 0.423800 6.9070E+00 4.7224E+00 -4.4757E+00 H2 78 1.008000 0.423800 7.9428E+00 5.1029E+00 -5.6793E+00 O6 79 15.999400 -0.847600 1.0547E+01 1.2015E+01 1.0360E+01 H1 80 1.008000 0.423800 1.1045E+01 1.1184E+01 1.0111E+01 H2 81 1.008000 0.423800 9.7688E+00 1.1775E+01 1.0940E+01 O6 82 15.999400 -0.847600 -1.0133E+01 -1.2793E+01 -4.7415E+00 H1 83 1.008000 0.423800 -9.7342E+00 -1.2005E+01 -5.2113E+00 H2 84 1.008000 0.423800 -9.9138E+00 -1.3628E+01 -5.2459E+00 O6 85 15.999400 -0.847600 5.5274E-01 1.4797E+00 -1.1469E+01 H1 86 1.008000 0.423800 2.0061E-01 1.0179E+00 -1.2283E+01 H2 87 1.008000 0.423800 1.5470E+00 1.5625E+00 -1.1537E+01 O6 88 15.999400 -0.847600 6.8702E+00 1.3738E+01 -5.2975E+00 H1 89 1.008000 0.423800 7.6003E+00 1.3937E+01 -5.9512E+00 H2 90 1.008000 0.423800 6.3969E+00 1.2901E+01 -5.5717E+00 O6 91 15.999400 -0.847600 8.7974E+00 6.9569E+00 -2.0175E+00 H1 92 1.008000 0.423800 7.8843E+00 7.0235E+00 -1.6153E+00 H2 93 1.008000 0.423800 8.8689E+00 7.5898E+00 -2.7885E+00 O6 94 15.999400 -0.847600 -1.4370E+01 4.0057E+00 2.6124E+00 H1 95 1.008000 0.423800 -1.5105E+01 3.6853E+00 3.2106E+00 H2 96 1.008000 0.423800 -1.4369E+01 3.4686E+00 1.7689E+00 O6 97 15.999400 -0.847600 1.0345E+01 -3.3068E+00 -1.4894E+01 H1 98 1.008000 0.423800 1.0996E+01 -2.7466E+00 -1.5407E+01 H2 99 1.008000 0.423800 9.8397E+00 -2.7283E+00 -1.4254E+01 O6 100 15.999400 -0.847600 -2.9978E+00 -1.9040E+01 4.8362E+00 H1 101 1.008000 0.423800 -3.2056E+00 1.9091E+01 4.9827E+00 H2 102 1.008000 0.423800 -2.3948E+00 -1.8714E+01 5.5646E+00 O6 103 15.999400 -0.847600 1.6475E+01 5.7105E+00 -1.0062E+01 H1 104 1.008000 0.423800 1.6695E+01 5.4947E+00 -1.1013E+01 H2 105 1.008000 0.423800 1.5486E+01 5.6450E+00 -9.9262E+00 O6 106 15.999400 -0.847600 4.9418E+00 1.9248E+01 -1.8218E+01 H1 107 1.008000 0.423800 4.7750E+00 1.8279E+01 -1.8397E+01 H2 108 1.008000 0.423800 5.0854E+00 1.9386E+01 -1.7237E+01 O6 109 15.999400 -0.847600 -9.9147E+00 -1.2218E+01 -1.7626E+01 H1 110 1.008000 0.423800 -9.8816E+00 -1.1219E+01 -1.7658E+01 H2 111 1.008000 0.423800 -1.0601E+01 -1.2550E+01 -1.8273E+01 O6 112 15.999400 -0.847600 1.2096E+01 2.3791E+00 6.1160E+00 H1 113 1.008000 0.423800 1.2332E+01 1.7467E+00 6.8540E+00 H2 114 1.008000 0.423800 1.2861E+01 3.0022E+00 5.9541E+00 O6 115 15.999400 -0.847600 -1.8460E+01 -1.1624E+01 -1.6232E+01 H1 116 1.008000 0.423800 -1.9180E+01 -1.1354E+01 -1.5592E+01 H2 117 1.008000 0.423800 -1.8809E+01 -1.2333E+01 -1.6846E+01 O6 118 15.999400 -0.847600 7.6671E+00 -4.9556E+00 4.6325E+00 H1 119 1.008000 0.423800 7.2787E+00 -4.7862E+00 5.5383E+00 H2 120 1.008000 0.423800 7.2782E+00 -4.3084E+00 3.9768E+00 O6 121 15.999400 -0.847600 1.1493E+00 3.3426E+00 4.9858E-01 H1 122 1.008000 0.423800 7.3440E-01 3.5316E+00 -3.9147E-01 H2 123 1.008000 0.423800 2.1014E+00 3.6482E+00 4.9411E-01 O6 124 15.999400 -0.847600 1.0707E+01 1.1568E+01 -1.9151E+01 H1 125 1.008000 0.423800 1.1000E+01 1.2275E+01 1.9303E+01 H2 126 1.008000 0.423800 1.0859E+01 1.1886E+01 -1.8215E+01 O6 127 15.999400 -0.847600 1.4988E+01 1.9151E+01 -1.2368E+01 H1 128 1.008000 0.423800 1.5825E+01 1.9259E+01 -1.1831E+01 H2 129 1.008000 0.423800 1.5223E+01 1.9047E+01 -1.3334E+01 O6 130 15.999400 -0.847600 1.9352E+01 3.4749E+00 -1.4151E+01 H1 131 1.008000 0.423800 1.8778E+01 2.9751E+00 -1.4800E+01 H2 132 1.008000 0.423800 1.9319E+01 4.4521E+00 -1.4361E+01 O6 133 15.999400 -0.847600 -1.4556E+01 7.9241E+00 6.7924E+00 H1 134 1.008000 0.423800 -1.4391E+01 6.9788E+00 7.0736E+00 H2 135 1.008000 0.423800 -1.5215E+01 8.3466E+00 7.4149E+00 O6 136 15.999400 -0.847600 -1.9076E+01 1.8378E+00 7.5743E+00 H1 137 1.008000 0.423800 -1.8738E+01 9.4561E-01 7.2742E+00 H2 138 1.008000 0.423800 1.9278E+01 1.7092E+00 8.2299E+00 O6 139 15.999400 -0.847600 8.7501E+00 -9.5119E+00 -1.1978E+01 H1 140 1.008000 0.423800 8.5976E+00 -8.6509E+00 -1.2463E+01 H2 141 1.008000 0.423800 9.5751E+00 -9.4373E+00 -1.1418E+01 O6 142 15.999400 -0.847600 1.6555E+01 1.6232E+01 -3.9939E+00 H1 143 1.008000 0.423800 1.6384E+01 1.6869E+01 -3.2422E+00 H2 144 1.008000 0.423800 1.6725E+01 1.6746E+01 -4.8344E+00 O6 145 15.999400 -0.847600 -1.5066E+01 -1.1565E+01 1.1324E+01 H1 146 1.008000 0.423800 -1.5869E+01 -1.1018E+01 1.1561E+01 H2 147 1.008000 0.423800 -1.5269E+01 -1.2534E+01 1.1467E+01 O6 148 15.999400 -0.847600 -9.2969E+00 2.7240E+00 7.7980E-01 H1 149 1.008000 0.423800 -9.2057E+00 2.4182E+00 -1.6794E-01 H2 150 1.008000 0.423800 -9.5285E+00 3.6966E+00 7.9530E-01 O6 151 15.999400 -0.847600 -1.1669E+01 -9.6145E+00 1.3781E+00 H1 152 1.008000 0.423800 -1.2585E+01 -9.9234E+00 1.6328E+00 H2 153 1.008000 0.423800 -1.1621E+01 -8.6183E+00 1.4498E+00 O6 154 15.999400 -0.847600 1.8646E+01 8.8951E+00 -1.7108E+01 H1 155 1.008000 0.423800 1.7739E+01 8.4769E+00 -1.7068E+01 H2 156 1.008000 0.423800 1.8646E+01 9.6268E+00 -1.7789E+01 O6 157 15.999400 -0.847600 1.7489E+01 6.6847E-01 -9.2077E+00 H1 158 1.008000 0.423800 1.7597E+01 1.6532E+00 -9.0709E+00 H2 159 1.008000 0.423800 1.7677E+01 1.9025E-01 -8.3499E+00 O6 160 15.999400 -0.847600 -1.3276E+01 5.0051E+00 1.8300E+01 H1 161 1.008000 0.423800 -1.3644E+01 5.8756E+00 1.7973E+01 H2 162 1.008000 0.423800 -1.3932E+01 4.2742E+00 1.8111E+01 O6 163 15.999400 -0.847600 1.2563E+01 1.3782E+01 -3.1985E+00 H1 164 1.008000 0.423800 1.3202E+01 1.3812E+01 -3.9671E+00 H2 165 1.008000 0.423800 1.2427E+01 1.2833E+01 -2.9146E+00 O6 166 15.999400 -0.847600 1.3905E+01 6.7350E+00 1.3277E+01 H1 167 1.008000 0.423800 1.3991E+01 6.0998E+00 1.4044E+01 H2 168 1.008000 0.423800 1.3657E+01 6.2285E+00 1.2451E+01 O6 169 15.999400 -0.847600 -4.0165E+00 1.6483E+01 9.3022E+00 H1 170 1.008000 0.423800 -3.9860E+00 1.7327E+01 9.8379E+00 H2 171 1.008000 0.423800 -4.9000E+00 1.6414E+01 8.8388E+00 O6 172 15.999400 -0.847600 2.8764E+00 7.4562E+00 -5.8549E-01 H1 173 1.008000 0.423800 3.3742E+00 8.2522E+00 -9.2991E-01 H2 174 1.008000 0.423800 1.9845E+00 7.7456E+00 -2.3810E-01 O6 175 15.999400 -0.847600 -1.0008E+01 1.7372E+01 1.8393E+00 H1 176 1.008000 0.423800 -9.3371E+00 1.7710E+01 2.4990E+00 H2 177 1.008000 0.423800 -9.6691E+00 1.6528E+01 1.4221E+00 O6 178 15.999400 -0.847600 1.2247E+01 1.4209E+01 1.1006E+01 H1 179 1.008000 0.423800 1.1607E+01 1.4959E+01 1.0841E+01 H2 180 1.008000 0.423800 1.1752E+01 1.3340E+01 1.1000E+01 O6 181 15.999400 -0.847600 1.9167E+01 1.2747E+01 -6.4805E+00 H1 182 1.008000 0.423800 -1.9180E+01 1.3082E+01 -7.0507E+00 H2 183 1.008000 0.423800 1.8330E+01 1.2702E+01 -7.0247E+00 O6 184 15.999400 -0.847600 1.8047E+01 -8.6792E+00 1.5421E+01 H1 185 1.008000 0.423800 1.7863E+01 -9.5901E+00 1.5052E+01 H2 186 1.008000 0.423800 1.8737E+01 -8.2243E+00 1.4858E+01 O6 187 15.999400 -0.847600 2.6134E+00 1.6101E+01 8.5281E+00 H1 188 1.008000 0.423800 2.2156E+00 1.6926E+01 8.9289E+00 H2 189 1.008000 0.423800 3.5915E+00 1.6242E+01 8.3757E+00 O6 190 15.999400 -0.847600 -6.0000E+00 -1.3219E+01 1.4500E+01 H1 191 1.008000 0.423800 -5.2463E+00 -1.2578E+01 1.4646E+01 H2 192 1.008000 0.423800 -6.2260E+00 -1.3251E+01 1.3526E+01 O6 193 15.999400 -0.847600 -7.4955E+00 1.4777E+01 -1.5985E+01 H1 194 1.008000 0.423800 -6.5536E+00 1.5031E+01 -1.6205E+01 H2 195 1.008000 0.423800 -7.4993E+00 1.4163E+01 -1.5195E+01 O6 196 15.999400 -0.847600 -8.5469E+00 7.6000E-01 -1.0461E+01 H1 197 1.008000 0.423800 -9.2758E+00 1.4374E+00 -1.0561E+01 H2 198 1.008000 0.423800 -8.8286E+00 6.1566E-02 -9.8034E+00 O6 199 15.999400 -0.847600 -3.9708E+00 -7.4177E+00 -5.2812E+00 H1 200 1.008000 0.423800 -4.6921E+00 -6.7992E+00 -5.5928E+00 H2 201 1.008000 0.423800 -4.3523E+00 -8.0731E+00 -4.6293E+00 O6 202 15.999400 -0.847600 -1.1940E+01 -5.3007E+00 -8.0320E+00 H1 203 1.008000 0.423800 -1.1742E+01 -5.3305E+00 -7.0523E+00 H2 204 1.008000 0.423800 -1.2601E+01 -6.0149E+00 -8.2601E+00 O6 205 15.999400 -0.847600 1.5592E+01 1.3300E+00 7.8015E+00 H1 206 1.008000 0.423800 1.5787E+01 1.1626E+00 6.8352E+00 H2 207 1.008000 0.423800 1.5442E+01 2.3081E+00 7.9467E+00 O6 208 15.999400 -0.847600 1.6207E+01 7.6047E+00 -1.7555E+01 H1 209 1.008000 0.423800 1.6849E+01 6.9535E+00 -1.7959E+01 H2 210 1.008000 0.423800 1.5654E+01 7.1416E+00 -1.6862E+01 O6 211 15.999400 -0.847600 1.0311E+01 -1.5828E+01 -5.5179E+00 H1 212 1.008000 0.423800 1.0325E+01 -1.5456E+01 -6.4464E+00 H2 213 1.008000 0.423800 9.6531E+00 -1.6579E+01 -5.4695E+00 O6 214 15.999400 -0.847600 -4.3477E+00 -3.7725E+00 -7.5318E+00 H1 215 1.008000 0.423800 -4.4025E+00 -3.4816E+00 -6.5765E+00 H2 216 1.008000 0.423800 -4.9543E+00 -3.2047E+00 -8.0883E+00 O6 217 15.999400 -0.847600 1.0213E+01 -5.8541E+00 2.5902E+00 H1 218 1.008000 0.423800 1.1200E+01 -5.7048E+00 2.5243E+00 H2 219 1.008000 0.423800 9.7320E+00 -5.1048E+00 2.1354E+00 O6 220 15.999400 -0.847600 -6.0158E+00 -5.9567E+00 -2.4402E+00 H1 221 1.008000 0.423800 -5.7831E+00 -6.2024E+00 -3.3812E+00 H2 222 1.008000 0.423800 -6.5166E+00 -6.7097E+00 -2.0133E+00 O6 223 15.999400 -0.847600 -1.8982E+01 -1.5392E+01 8.5128E+00 H1 224 1.008000 0.423800 -1.8903E+01 -1.5046E+01 7.5779E+00 H2 225 1.008000 0.423800 -1.8447E+01 -1.6232E+01 8.6039E+00 O6 226 15.999400 -0.847600 -4.9382E-01 1.3929E+01 1.7393E+01 H1 227 1.008000 0.423800 3.4730E-01 1.3876E+01 1.6854E+01 H2 228 1.008000 0.423800 -1.2392E+00 1.4260E+01 1.6814E+01 O6 229 15.999400 -0.847600 -5.1627E+00 9.9184E-01 -3.3437E+00 H1 230 1.008000 0.423800 -4.2220E+00 6.7463E-01 -3.2239E+00 H2 231 1.008000 0.423800 -5.4032E+00 1.6115E+00 -2.5966E+00 O6 232 15.999400 -0.847600 1.5371E+01 -1.3805E+00 -1.8297E+01 H1 233 1.008000 0.423800 1.6193E+01 -1.2856E+00 -1.8859E+01 H2 234 1.008000 0.423800 1.5275E+01 -2.3320E+00 -1.8004E+01 O6 235 15.999400 -0.847600 8.1364E+00 -1.6132E+01 2.4561E+00 H1 236 1.008000 0.423800 7.2725E+00 -1.6066E+01 1.9568E+00 H2 237 1.008000 0.423800 8.7764E+00 -1.5448E+01 2.1068E+00 O6 238 15.999400 -0.847600 7.7390E+00 -4.8760E+00 -1.5399E+00 H1 239 1.008000 0.423800 7.9523E+00 -4.6839E+00 -2.4979E+00 H2 240 1.008000 0.423800 6.8625E+00 -4.4570E+00 -1.3031E+00 O6 241 15.999400 -0.847600 1.9290E+01 -1.7002E+00 -1.7543E+01 H1 242 1.008000 0.423800 -1.8984E+01 -1.8059E+00 -1.8100E+01 H2 243 1.008000 0.423800 1.8512E+01 -1.4900E+00 -1.8136E+01 O6 244 15.999400 -0.847600 -1.4025E+01 -9.6278E+00 5.8913E+00 H1 245 1.008000 0.423800 -1.4599E+01 -9.2923E+00 5.1442E+00 H2 246 1.008000 0.423800 -1.4600E+01 -1.0067E+01 6.5816E+00 O6 247 15.999400 -0.847600 -2.1087E+00 -1.2202E+01 2.4578E+00 H1 248 1.008000 0.423800 -2.9603E+00 -1.2725E+01 2.4255E+00 H2 249 1.008000 0.423800 -2.2119E+00 -1.1436E+01 3.0924E+00 O6 250 15.999400 -0.847600 -1.7535E+01 1.9460E+01 -1.8879E+01 H1 251 1.008000 0.423800 -1.7888E+01 1.9105E+01 1.9353E+01 H2 252 1.008000 0.423800 -1.7243E+01 -1.8689E+01 -1.9002E+01 O6 253 15.999400 -0.847600 3.2592E+00 -7.6944E+00 -1.3602E+01 H1 254 1.008000 0.423800 3.9785E+00 -8.0450E+00 -1.4201E+01 H2 255 1.008000 0.423800 3.3190E+00 -6.6972E+00 -1.3557E+01 O6 256 15.999400 -0.847600 -2.0236E+00 9.4186E+00 4.2240E-01 H1 257 1.008000 0.423800 -2.2643E+00 8.4816E+00 1.6904E-01 H2 258 1.008000 0.423800 -2.1588E+00 9.5432E+00 1.4053E+00 O6 259 15.999400 -0.847600 -9.9302E+00 1.2892E+01 2.1414E+00 H1 260 1.008000 0.423800 -1.0016E+01 1.2056E+01 1.5988E+00 H2 261 1.008000 0.423800 -8.9646E+00 1.3138E+01 2.2235E+00 O6 262 15.999400 -0.847600 3.1525E+00 6.1693E-01 6.3333E+00 H1 263 1.008000 0.423800 4.0584E+00 3.2358E-01 6.6387E+00 H2 264 1.008000 0.423800 3.2307E+00 1.4861E+00 5.8450E+00 O6 265 15.999400 -0.847600 1.9257E+01 7.4677E+00 -4.2097E+00 H1 266 1.008000 0.423800 1.9488E+01 8.4184E+00 -4.4158E+00 H2 267 1.008000 0.423800 -1.9105E+01 6.8692E+00 -4.5260E+00 O6 268 15.999400 -0.847600 -1.3090E+00 5.6731E+00 1.2721E+01 H1 269 1.008000 0.423800 -9.3189E-01 5.0764E+00 1.2013E+01 H2 270 1.008000 0.423800 -2.3071E+00 5.6135E+00 1.2710E+01 O6 271 15.999400 -0.847600 2.6251E+00 -4.8893E+00 -1.4212E+01 H1 272 1.008000 0.423800 1.8057E+00 -4.9111E+00 -1.3640E+01 H2 273 1.008000 0.423800 2.4385E+00 -5.3526E+00 -1.5079E+01 O6 274 15.999400 -0.847600 -7.5038E+00 -1.7707E+01 5.5135E+00 H1 275 1.008000 0.423800 -8.1740E+00 -1.6988E+01 5.6994E+00 H2 276 1.008000 0.423800 -7.2088E+00 -1.8119E+01 6.3757E+00 O6 277 15.999400 -0.847600 1.0292E+01 2.2483E+00 1.6792E+01 H1 278 1.008000 0.423800 1.0517E+01 3.2185E+00 1.6884E+01 H2 279 1.008000 0.423800 9.3361E+00 2.1519E+00 1.6516E+01 O6 280 15.999400 -0.847600 -2.5299E+00 6.0573E+00 1.8218E+01 H1 281 1.008000 0.423800 -2.2070E+00 6.0935E+00 1.7272E+01 H2 282 1.008000 0.423800 -1.8514E+00 5.5890E+00 1.8784E+01 O6 283 15.999400 -0.847600 8.7667E+00 -1.2171E+00 1.6486E+01 H1 284 1.008000 0.423800 8.5228E+00 -9.6149E-01 1.5551E+01 H2 285 1.008000 0.423800 9.5106E+00 -1.8850E+00 1.6466E+01 O6 286 15.999400 -0.847600 -4.0912E+00 -8.6999E+00 -1.1851E+01 H1 287 1.008000 0.423800 -3.1423E+00 -8.9471E+00 -1.2047E+01 H2 288 1.008000 0.423800 -4.1812E+00 -7.7041E+00 -1.1842E+01 O6 289 15.999400 -0.847600 -9.0013E+00 -1.0451E+01 -6.1174E+00 H1 290 1.008000 0.423800 -9.6909E+00 -1.0608E+01 -6.8245E+00 H2 291 1.008000 0.423800 -9.2683E+00 -9.6645E+00 -5.5607E+00 O6 292 15.999400 -0.847600 -8.1564E+00 -9.3671E-01 -4.7281E-01 H1 293 1.008000 0.423800 -7.8176E+00 -1.6603E+00 -1.0741E+00 H2 294 1.008000 0.423800 -9.1012E+00 -1.1352E+00 -2.1219E-01 O6 295 15.999400 -0.847600 1.7913E+01 6.4906E+00 -2.0586E-01 H1 296 1.008000 0.423800 1.7970E+01 7.3734E+00 2.6066E-01 H2 297 1.008000 0.423800 1.8835E+01 6.1250E+00 -3.3930E-01 O6 298 15.999400 -0.847600 8.4463E+00 -9.8810E-01 -1.7618E+01 H1 299 1.008000 0.423800 8.3514E+00 -8.4700E-01 -1.8603E+01 H2 300 1.008000 0.423800 9.3913E+00 -8.0779E-01 -1.7345E+01 O6 301 15.999400 -0.847600 1.5599E+00 -1.0431E+01 -6.9628E+00 H1 302 1.008000 0.423800 9.9042E-01 -1.1236E+01 -7.1317E+00 H2 303 1.008000 0.423800 2.1417E+00 -1.0596E+01 -6.1663E+00 O6 304 15.999400 -0.847600 1.8889E+00 8.5983E-01 -7.5465E+00 H1 305 1.008000 0.423800 2.8361E+00 6.9698E-01 -7.2702E+00 H2 306 1.008000 0.423800 1.8274E+00 1.7353E+00 -8.0259E+00 O6 307 15.999400 -0.847600 7.0242E+00 1.5428E+01 -1.0862E+01 H1 308 1.008000 0.423800 6.1540E+00 1.5873E+01 -1.1074E+01 H2 309 1.008000 0.423800 6.9184E+00 1.4860E+01 -1.0046E+01 O6 310 15.999400 -0.847600 1.2288E+01 -1.0975E+01 -6.7032E+00 H1 311 1.008000 0.423800 1.1644E+01 -1.0254E+01 -6.4468E+00 H2 312 1.008000 0.423800 1.2713E+01 -1.1351E+01 -5.8796E+00 O6 313 15.999400 -0.847600 -1.5028E+01 -6.1842E+00 2.0286E+00 H1 314 1.008000 0.423800 -1.5507E+01 -6.4069E+00 1.1793E+00 H2 315 1.008000 0.423800 -1.5229E+01 -5.2391E+00 2.2863E+00 O6 316 15.999400 -0.847600 -1.1616E+01 1.3407E+01 -1.1368E+00 H1 317 1.008000 0.423800 -1.0954E+01 1.3274E+01 -1.8744E+00 H2 318 1.008000 0.423800 -1.2025E+01 1.2528E+01 -8.9299E-01 O6 319 15.999400 -0.847600 1.4369E+01 -9.5872E+00 1.1980E+01 H1 320 1.008000 0.423800 1.3949E+01 -8.9307E+00 1.2607E+01 H2 321 1.008000 0.423800 1.4266E+01 -1.0511E+01 1.2348E+01 O6 322 15.999400 -0.847600 -1.7990E+01 -1.6939E+01 -1.4831E+01 H1 323 1.008000 0.423800 -1.8616E+01 -1.6297E+01 -1.4387E+01 H2 324 1.008000 0.423800 -1.8316E+01 -1.7136E+01 -1.5756E+01 O6 325 15.999400 -0.847600 -2.3870E+00 -1.6489E+01 -1.1830E+01 H1 326 1.008000 0.423800 -2.0724E+00 -1.6002E+01 -1.1015E+01 H2 327 1.008000 0.423800 -2.2059E+00 -1.5933E+01 -1.2641E+01 O6 328 15.999400 -0.847600 -3.2805E+00 -1.8171E+01 -5.9991E+00 H1 329 1.008000 0.423800 -4.1573E+00 -1.8269E+01 -5.5286E+00 H2 330 1.008000 0.423800 -3.2516E+00 -1.8790E+01 -6.7835E+00 O6 331 15.999400 -0.847600 -1.2370E+01 4.2821E+00 -6.9357E-01 H1 332 1.008000 0.423800 -1.2055E+01 3.8686E+00 -1.5480E+00 H2 333 1.008000 0.423800 -1.3275E+01 3.9236E+00 -4.6318E-01 O6 334 15.999400 -0.847600 1.7968E+01 -1.9317E+01 -1.4985E+01 H1 335 1.008000 0.423800 1.7103E+01 1.9291E+01 -1.5099E+01 H2 336 1.008000 0.423800 1.8706E+01 1.9255E+01 -1.5408E+01 O6 337 15.999400 -0.847600 -1.1551E+00 -4.3716E+00 1.2358E+01 H1 338 1.008000 0.423800 -7.0988E-01 -4.2975E+00 1.1465E+01 H2 339 1.008000 0.423800 -1.4302E+00 -3.4622E+00 1.2670E+01 O6 340 15.999400 -0.847600 3.4003E+00 1.8744E-01 1.4459E+01 H1 341 1.008000 0.423800 2.5684E+00 5.6828E-01 1.4863E+01 H2 342 1.008000 0.423800 3.3799E+00 3.1818E-01 1.3468E+01 O6 343 15.999400 -0.847600 -8.8362E-01 1.8688E+01 -1.4078E+00 H1 344 1.008000 0.423800 -1.0906E-01 1.9320E+01 -1.3989E+00 H2 345 1.008000 0.423800 -1.4970E+00 1.8923E+01 -2.1618E+00 O6 346 15.999400 -0.847600 1.0326E+01 -1.4971E+01 -8.1479E+00 H1 347 1.008000 0.423800 1.1002E+01 -1.4809E+01 -8.8664E+00 H2 348 1.008000 0.423800 9.4249E+00 -1.4677E+01 -8.4656E+00 O6 349 15.999400 -0.847600 3.2759E+00 -8.0557E+00 1.6733E+01 H1 350 1.008000 0.423800 2.3012E+00 -8.1587E+00 1.6932E+01 H2 351 1.008000 0.423800 3.7941E+00 -8.7441E+00 1.7241E+01 O6 352 15.999400 -0.847600 -1.6083E+01 -1.5266E+01 1.5877E+01 H1 353 1.008000 0.423800 -1.6097E+01 -1.6198E+01 1.5515E+01 H2 354 1.008000 0.423800 -1.6974E+01 -1.5049E+01 1.6276E+01 O6 355 15.999400 -0.847600 -6.1597E-01 -9.7918E+00 -3.1157E+00 H1 356 1.008000 0.423800 -1.1994E+00 -9.2222E+00 -2.5368E+00 H2 357 1.008000 0.423800 -4.0035E-01 -1.0643E+01 -2.6368E+00 O6 358 15.999400 -0.847600 1.5894E+01 -6.2565E+00 -7.8731E-01 H1 359 1.008000 0.423800 1.5367E+01 -7.0316E+00 -4.3871E-01 H2 360 1.008000 0.423800 1.6870E+01 -6.4565E+00 -7.1127E-01 O6 361 15.999400 -0.847600 -1.5401E+01 -6.8940E+00 6.4860E+00 H1 362 1.008000 0.423800 -1.5753E+01 -5.9767E+00 6.6730E+00 H2 363 1.008000 0.423800 -1.5028E+01 -7.2855E+00 7.3269E+00 O6 364 15.999400 -0.847600 6.6024E+00 -5.8764E+00 -1.2411E+01 H1 365 1.008000 0.423800 6.1635E+00 -6.4353E+00 -1.3114E+01 H2 366 1.008000 0.423800 6.5865E+00 -4.9163E+00 -1.2690E+01 O6 367 15.999400 -0.847600 1.0778E+01 -1.2667E+01 -2.3555E+00 H1 368 1.008000 0.423800 1.1390E+01 -1.3343E+01 -2.7673E+00 H2 369 1.008000 0.423800 1.1299E+01 -1.2082E+01 -1.7339E+00 O6 370 15.999400 -0.847600 1.1856E+01 7.5534E+00 2.3214E+00 H1 371 1.008000 0.423800 1.2432E+01 6.7364E+00 2.3201E+00 H2 372 1.008000 0.423800 1.0994E+01 7.3543E+00 1.8538E+00 O6 373 15.999400 -0.847600 5.0480E+00 -5.3928E+00 -5.3500E+00 H1 374 1.008000 0.423800 5.5041E+00 -6.1024E+00 -5.8871E+00 H2 375 1.008000 0.423800 5.5507E+00 -5.2447E+00 -4.4984E+00 O6 376 15.999400 -0.847600 -8.7241E+00 -1.6782E+01 8.9641E+00 H1 377 1.008000 0.423800 -8.1976E+00 -1.5933E+01 8.9118E+00 H2 378 1.008000 0.423800 -9.0715E+00 -1.7015E+01 8.0559E+00 O6 379 15.999400 -0.847600 -1.0869E+01 -6.8455E+00 1.6925E+01 H1 380 1.008000 0.423800 -1.1533E+01 -6.3099E+00 1.7447E+01 H2 381 1.008000 0.423800 -1.1101E+01 -7.8162E+00 1.6987E+01 O6 382 15.999400 -0.847600 -7.9440E-01 -9.1071E+00 -1.6461E+01 H1 383 1.008000 0.423800 -1.4444E+00 -8.4774E+00 -1.6036E+01 H2 384 1.008000 0.423800 1.5581E-02 -9.1923E+00 -1.5881E+01 O6 385 15.999400 -0.847600 8.3077E-02 1.7459E+01 -1.0686E+01 H1 386 1.008000 0.423800 3.9462E-01 1.8145E+01 -1.1344E+01 H2 387 1.008000 0.423800 4.2770E-01 1.6559E+01 -1.0955E+01 O6 388 15.999400 -0.847600 -1.7424E+01 1.3589E+01 -2.9541E+00 H1 389 1.008000 0.423800 -1.7147E+01 1.4022E+01 -3.8117E+00 H2 390 1.008000 0.423800 -1.8170E+01 1.4112E+01 -2.5421E+00 O6 391 15.999400 -0.847600 -1.2479E+01 4.5092E+00 -1.8008E+01 H1 392 1.008000 0.423800 -1.2842E+01 4.6461E+00 -1.8929E+01 H2 393 1.008000 0.423800 -1.3222E+01 4.2431E+00 -1.7393E+01 O6 394 15.999400 -0.847600 -9.0742E+00 -1.2156E+00 1.8960E+01 H1 395 1.008000 0.423800 -9.3504E+00 -5.3564E-01 -1.9458E+01 H2 396 1.008000 0.423800 -9.7904E+00 -1.9079E+00 1.8872E+01 O6 397 15.999400 -0.847600 8.1801E+00 -1.8361E+01 1.9224E+01 H1 398 1.008000 0.423800 7.2642E+00 -1.8511E+01 1.8852E+01 H2 399 1.008000 0.423800 8.1615E+00 -1.7583E+01 -1.9245E+01 O6 400 15.999400 -0.847600 -1.5953E+01 -1.4857E+01 -5.5515E-01 H1 401 1.008000 0.423800 -1.6315E+01 -1.5504E+01 -1.2267E+00 H2 402 1.008000 0.423800 -1.5645E+01 -1.5356E+01 2.5510E-01 O6 403 15.999400 -0.847600 2.3678E+00 1.0709E+01 7.1256E+00 H1 404 1.008000 0.423800 2.9467E+00 1.1443E+01 7.4804E+00 H2 405 1.008000 0.423800 2.6902E+00 9.8307E+00 7.4783E+00 O6 406 15.999400 -0.847600 -1.0307E+01 1.8024E+01 -8.7737E+00 H1 407 1.008000 0.423800 -9.8476E+00 1.8906E+01 -8.8725E+00 H2 408 1.008000 0.423800 -1.0695E+01 1.7749E+01 -9.6537E+00 O6 409 15.999400 -0.847600 -8.6032E+00 1.8109E+01 3.9137E+00 H1 410 1.008000 0.423800 -9.1403E+00 1.7706E+01 4.6550E+00 H2 411 1.008000 0.423800 -8.3069E+00 1.9027E+01 4.1774E+00 O6 412 15.999400 -0.847600 1.4865E+01 -1.4535E+01 1.6033E+01 H1 413 1.008000 0.423800 1.5158E+01 -1.3583E+01 1.6121E+01 H2 414 1.008000 0.423800 1.5669E+01 -1.5128E+01 1.5990E+01 O6 415 15.999400 -0.847600 -1.4369E+01 3.6887E+00 -5.0911E+00 H1 416 1.008000 0.423800 -1.4781E+01 4.3885E+00 -5.6749E+00 H2 417 1.008000 0.423800 -1.3875E+01 4.1288E+00 -4.3411E+00 O6 418 15.999400 -0.847600 -1.1224E+01 -1.8596E+00 7.8703E+00 H1 419 1.008000 0.423800 -1.0450E+01 -1.2424E+00 7.7261E+00 H2 420 1.008000 0.423800 -1.1095E+01 -2.6877E+00 7.3245E+00 O6 421 15.999400 -0.847600 7.0436E+00 1.2817E+01 -1.2284E+01 H1 422 1.008000 0.423800 6.2312E+00 1.2935E+01 -1.1713E+01 H2 423 1.008000 0.423800 7.0955E+00 1.3563E+01 -1.2948E+01 O6 424 15.999400 -0.847600 7.8494E+00 1.4866E+01 6.9291E+00 H1 425 1.008000 0.423800 8.2549E+00 1.5104E+01 6.0465E+00 H2 426 1.008000 0.423800 6.8995E+00 1.5177E+01 6.9542E+00 O6 427 15.999400 -0.847600 -1.4293E+01 -1.5697E+01 -3.8506E+00 H1 428 1.008000 0.423800 -1.5101E+01 -1.5221E+01 -3.5054E+00 H2 429 1.008000 0.423800 -1.3605E+01 -1.5754E+01 -3.1271E+00 O6 430 15.999400 -0.847600 -2.3230E+00 -6.4811E+00 2.9032E+00 H1 431 1.008000 0.423800 -2.9221E+00 -6.0708E+00 2.2156E+00 H2 432 1.008000 0.423800 -2.0144E+00 -5.7749E+00 3.5403E+00 O6 433 15.999400 -0.847600 -1.5267E+01 3.7738E+00 -8.1438E+00 H1 434 1.008000 0.423800 -1.6012E+01 3.9357E+00 -7.4965E+00 H2 435 1.008000 0.423800 -1.5634E+01 3.7437E+00 -9.0735E+00 O6 436 15.999400 -0.847600 -4.9481E+00 1.9250E+01 -1.1051E+00 H1 437 1.008000 0.423800 -4.9285E+00 1.8259E+01 -1.2376E+00 H2 438 1.008000 0.423800 -5.8958E+00 -1.9542E+01 -1.0124E+00 O6 439 15.999400 -0.847600 3.0132E+00 -1.0338E+01 -2.4108E+00 H1 440 1.008000 0.423800 3.1659E+00 -1.0560E+01 -3.3737E+00 H2 441 1.008000 0.423800 3.4539E+00 -1.1027E+01 -1.8357E+00 O6 442 15.999400 -0.847600 1.9266E+01 1.8715E+01 1.4728E+01 H1 443 1.008000 0.423800 1.8641E+01 1.8468E+01 1.3989E+01 H2 444 1.008000 0.423800 1.9168E+01 -1.9409E+01 1.4936E+01 O6 445 15.999400 -0.847600 -8.2973E+00 1.5259E+01 7.6185E-01 H1 446 1.008000 0.423800 -8.2927E+00 1.4602E+01 7.5553E-03 H2 447 1.008000 0.423800 -8.1423E+00 1.4777E+01 1.6242E+00 O6 448 15.999400 -0.847600 -1.7512E+01 -1.7684E+01 8.2778E+00 H1 449 1.008000 0.423800 -1.8088E+01 -1.8455E+01 8.0051E+00 H2 450 1.008000 0.423800 -1.6858E+01 -1.7483E+01 7.5485E+00 O6 451 15.999400 -0.847600 1.6680E+00 1.8547E+01 9.2951E+00 H1 452 1.008000 0.423800 2.3242E+00 1.8990E+01 9.9058E+00 H2 453 1.008000 0.423800 7.5294E-01 1.8911E+01 9.4681E+00 O6 454 15.999400 -0.847600 5.9913E+00 6.8473E+00 -1.9237E+01 H1 455 1.008000 0.423800 6.6861E+00 7.3908E+00 -1.8766E+01 H2 456 1.008000 0.423800 5.6747E+00 6.1156E+00 -1.8633E+01 O6 457 15.999400 -0.847600 -4.8801E+00 -1.2540E+01 7.1602E+00 H1 458 1.008000 0.423800 -4.1197E+00 -1.2049E+01 7.5850E+00 H2 459 1.008000 0.423800 -5.0086E+00 -1.2211E+01 6.2248E+00 O6 460 15.999400 -0.847600 9.9221E+00 -1.0297E+01 4.5879E+00 H1 461 1.008000 0.423800 9.0337E+00 -1.0472E+01 5.0125E+00 H2 462 1.008000 0.423800 1.0187E+01 -9.3465E+00 4.7488E+00 O6 463 15.999400 -0.847600 1.0576E+01 9.0033E+00 -8.3861E-01 H1 464 1.008000 0.423800 1.0069E+01 8.5278E+00 -1.5575E+00 H2 465 1.008000 0.423800 1.0356E+01 8.5978E+00 4.8538E-02 O6 466 15.999400 -0.847600 -1.8446E+01 -2.3475E+00 8.6710E+00 H1 467 1.008000 0.423800 -1.9350E+01 -2.5673E+00 9.0392E+00 H2 468 1.008000 0.423800 -1.7937E+01 -3.1931E+00 8.5109E+00 O6 469 15.999400 -0.847600 -1.1991E+01 8.2095E+00 -4.4562E+00 H1 470 1.008000 0.423800 -1.1073E+01 7.8273E+00 -4.5655E+00 H2 471 1.008000 0.423800 -1.2313E+01 8.0419E+00 -3.5244E+00 O6 472 15.999400 -0.847600 -1.4416E+01 -1.0051E+01 1.9212E+00 H1 473 1.008000 0.423800 -1.4612E+01 -1.0945E+01 2.3237E+00 H2 474 1.008000 0.423800 -1.4718E+01 -9.3304E+00 2.5453E+00 O6 475 15.999400 -0.847600 6.3524E+00 7.2357E+00 -1.0203E+00 H1 476 1.008000 0.423800 6.2919E+00 7.7571E+00 -1.6905E-01 H2 477 1.008000 0.423800 5.9308E+00 6.3381E+00 -8.9195E-01 O6 478 15.999400 -0.847600 1.3145E+01 -3.7723E+00 7.1721E+00 H1 479 1.008000 0.423800 1.3984E+01 -3.5213E+00 7.6546E+00 H2 480 1.008000 0.423800 1.2354E+01 -3.5543E+00 7.7437E+00 O6 481 15.999400 -0.847600 -1.0442E+01 -1.7949E+01 -2.9530E+00 H1 482 1.008000 0.423800 -9.9039E+00 -1.8782E+01 -2.8288E+00 H2 483 1.008000 0.423800 -9.8499E+00 -1.7217E+01 -3.2895E+00 O6 484 15.999400 -0.847600 1.0282E+01 4.8875E+00 -1.1340E+01 H1 485 1.008000 0.423800 9.8775E+00 4.3151E+00 -1.2053E+01 H2 486 1.008000 0.423800 9.6873E+00 4.8878E+00 -1.0536E+01 O6 487 15.999400 -0.847600 -1.0490E+01 -7.2596E+00 -1.3289E+00 H1 488 1.008000 0.423800 -9.6302E+00 -7.7240E+00 -1.1175E+00 H2 489 1.008000 0.423800 -1.1033E+01 -7.1673E+00 -4.9419E-01 O6 490 15.999400 -0.847600 -1.3611E+01 -1.4640E+01 -1.3999E+01 H1 491 1.008000 0.423800 -1.3797E+01 -1.5017E+01 -1.3092E+01 H2 492 1.008000 0.423800 -1.4407E+01 -1.4778E+01 -1.4587E+01 O6 493 15.999400 -0.847600 -1.8222E+01 -8.2474E+00 -1.7489E+01 H1 494 1.008000 0.423800 -1.7432E+01 -8.8451E+00 -1.7624E+01 H2 495 1.008000 0.423800 -1.8965E+01 -8.7676E+00 -1.7067E+01 O6 496 15.999400 -0.847600 -1.4798E+01 -2.8462E+00 -1.9118E+00 H1 497 1.008000 0.423800 -1.4748E+01 -3.4190E+00 -2.7300E+00 H2 498 1.008000 0.423800 -1.5756E+01 -2.6518E+00 -1.6990E+00 O6 499 15.999400 -0.847600 -8.0225E+00 1.0369E+01 -1.4701E+01 H1 500 1.008000 0.423800 -7.6525E+00 9.9014E+00 -1.3898E+01 H2 501 1.008000 0.423800 -7.3509E+00 1.0342E+01 -1.5442E+01 O6 502 15.999400 -0.847600 1.5272E+01 1.5748E+01 1.0254E+00 H1 503 1.008000 0.423800 1.4846E+01 1.6311E+01 1.7337E+00 H2 504 1.008000 0.423800 1.5977E+01 1.6279E+01 5.5676E-01 O6 505 15.999400 -0.847600 -5.4480E+00 4.0783E-01 2.8422E+00 H1 506 1.008000 0.423800 -5.7113E+00 2.7144E-01 1.8872E+00 H2 507 1.008000 0.423800 -4.6694E+00 -1.8040E-01 3.0605E+00 O6 508 15.999400 -0.847600 5.4994E+00 1.8488E+01 3.4510E-01 H1 509 1.008000 0.423800 4.6290E+00 1.8897E+01 6.1883E-01 H2 510 1.008000 0.423800 6.0862E+00 1.8385E+01 1.1482E+00 O6 511 15.999400 -0.847600 2.6922E+00 -1.5821E+01 7.1480E+00 H1 512 1.008000 0.423800 2.3992E+00 -1.5128E+01 7.8074E+00 H2 513 1.008000 0.423800 2.0940E+00 -1.5792E+01 6.3471E+00 O6 514 15.999400 -0.847600 -1.7033E+01 1.6590E+01 8.9134E+00 H1 515 1.008000 0.423800 -1.6895E+01 1.6109E+01 9.7790E+00 H2 516 1.008000 0.423800 -1.6715E+01 1.6016E+01 8.1586E+00 O6 517 15.999400 -0.847600 7.6566E+00 1.9545E+01 -1.1984E+00 H1 518 1.008000 0.423800 6.8529E+00 1.9362E+01 -6.3243E-01 H2 519 1.008000 0.423800 7.7890E+00 1.8793E+01 -1.8432E+00 O6 520 15.999400 -0.847600 1.5339E+01 1.5574E+01 -9.9256E+00 H1 521 1.008000 0.423800 1.5347E+01 1.6508E+01 -9.5701E+00 H2 522 1.008000 0.423800 1.6163E+01 1.5417E+01 -1.0470E+01 O6 523 15.999400 -0.847600 -1.3351E+01 1.3439E+01 1.3954E+01 H1 524 1.008000 0.423800 -1.3257E+01 1.4435E+01 1.3929E+01 H2 525 1.008000 0.423800 -1.3211E+01 1.3114E+01 1.4889E+01 O6 526 15.999400 -0.847600 7.8704E+00 -1.7738E+00 1.0548E+01 H1 527 1.008000 0.423800 7.8228E+00 -2.3736E+00 9.7491E+00 H2 528 1.008000 0.423800 7.6168E+00 -2.2886E+00 1.1367E+01 O6 529 15.999400 -0.847600 -4.9490E+00 1.6052E+01 3.7003E+00 H1 530 1.008000 0.423800 -5.1072E+00 1.6712E+01 2.9661E+00 H2 531 1.008000 0.423800 -4.2132E+00 1.6381E+01 4.2919E+00 O6 532 15.999400 -0.847600 1.3234E+01 7.4149E+00 -6.9828E+00 H1 533 1.008000 0.423800 1.3514E+01 7.3463E+00 -6.0253E+00 H2 534 1.008000 0.423800 1.3847E+01 6.8654E+00 -7.5497E+00 O6 535 15.999400 -0.847600 -1.7123E+01 1.5195E+01 -1.4243E+01 H1 536 1.008000 0.423800 -1.6863E+01 1.6120E+01 -1.4521E+01 H2 537 1.008000 0.423800 -1.8070E+01 1.5019E+01 -1.4512E+01 O6 538 15.999400 -0.847600 5.9773E+00 -1.0896E+01 8.3043E-01 H1 539 1.008000 0.423800 5.0151E+00 -1.0677E+01 6.6876E-01 H2 540 1.008000 0.423800 6.1338E+00 -1.1866E+01 6.4662E-01 O6 541 15.999400 -0.847600 4.3780E+00 5.3755E+00 -9.9556E-01 H1 542 1.008000 0.423800 4.3612E+00 4.6088E+00 -3.5380E-01 H2 543 1.008000 0.423800 3.5684E+00 5.9455E+00 -8.5510E-01 O6 544 15.999400 -0.847600 1.2862E+01 -5.9547E+00 1.0604E+01 H1 545 1.008000 0.423800 1.3325E+01 -6.7658E+00 1.0246E+01 H2 546 1.008000 0.423800 1.3500E+01 -5.4262E+00 1.1163E+01 O6 547 15.999400 -0.847600 1.8872E+01 1.0104E+01 -5.2788E-01 H1 548 1.008000 0.423800 -1.9537E+01 9.5099E+00 -9.4483E-01 H2 549 1.008000 0.423800 1.8442E+01 9.6272E+00 2.3876E-01 O6 550 15.999400 -0.847600 -8.4349E+00 -7.6657E+00 5.6648E+00 H1 551 1.008000 0.423800 -8.8780E+00 -8.3847E+00 6.2002E+00 H2 552 1.008000 0.423800 -8.6000E+00 -7.8252E+00 4.6915E+00 O6 553 15.999400 -0.847600 1.7648E+01 -3.6598E+00 5.0774E+00 H1 554 1.008000 0.423800 1.6834E+01 -3.0810E+00 5.0315E+00 H2 555 1.008000 0.423800 1.7402E+01 -4.6006E+00 4.8445E+00 O6 556 15.999400 -0.847600 1.4337E+01 8.3094E+00 7.5508E-01 H1 557 1.008000 0.423800 1.3617E+01 7.9805E+00 1.3667E+00 H2 558 1.008000 0.423800 1.4229E+01 9.2934E+00 6.1296E-01 O6 559 15.999400 -0.847600 -7.5810E+00 -1.1709E+01 -1.3866E+00 H1 560 1.008000 0.423800 -6.7022E+00 -1.2183E+01 -1.4396E+00 H2 561 1.008000 0.423800 -7.6432E+00 -1.1219E+01 -5.1741E-01 O6 562 15.999400 -0.847600 1.1910E-01 6.9164E-01 1.5508E+01 H1 563 1.008000 0.423800 5.6218E-01 1.0501E+00 1.4687E+01 H2 564 1.008000 0.423800 7.1772E-01 8.3039E-01 1.6297E+01 O6 565 15.999400 -0.847600 -1.3009E+01 9.5104E+00 -1.4494E+01 H1 566 1.008000 0.423800 -1.3455E+01 8.6197E+00 -1.4402E+01 H2 567 1.008000 0.423800 -1.2021E+01 9.4015E+00 -1.4388E+01 O6 568 15.999400 -0.847600 6.2789E+00 -1.4689E+01 -3.7874E+00 H1 569 1.008000 0.423800 6.3054E+00 -1.5465E+01 -3.1578E+00 H2 570 1.008000 0.423800 7.1800E+00 -1.4566E+01 -4.2033E+00 O6 571 15.999400 -0.847600 -1.1886E+01 1.5506E+01 5.5585E+00 H1 572 1.008000 0.423800 -1.0938E+01 1.5195E+01 5.6130E+00 H2 573 1.008000 0.423800 -1.1991E+01 1.6120E+01 4.7759E+00 O6 574 15.999400 -0.847600 3.4161E+00 1.9374E+01 -2.5877E+00 H1 575 1.008000 0.423800 3.5968E+00 1.8460E+01 -2.2257E+00 H2 576 1.008000 0.423800 2.6443E+00 -1.9317E+01 -2.0981E+00 O6 577 15.999400 -0.847600 1.2438E+01 1.6134E+01 1.9376E+01 H1 578 1.008000 0.423800 1.1556E+01 1.6499E+01 -1.9424E+01 H2 579 1.008000 0.423800 1.3123E+01 1.6862E+01 1.9396E+01 O6 580 15.999400 -0.847600 1.4971E+01 -7.2793E+00 2.8405E+00 H1 581 1.008000 0.423800 1.4104E+01 -6.8237E+00 3.0426E+00 H2 582 1.008000 0.423800 1.5035E+01 -7.4537E+00 1.8579E+00 O6 583 15.999400 -0.847600 -1.9457E+01 -1.6893E+01 4.9187E+00 H1 584 1.008000 0.423800 1.9097E+01 -1.7730E+01 4.8561E+00 H2 585 1.008000 0.423800 -1.8489E+01 -1.7114E+01 4.7974E+00 O6 586 15.999400 -0.847600 -5.9452E+00 1.7015E+01 -6.9357E+00 H1 587 1.008000 0.423800 -5.4237E+00 1.6195E+01 -7.1731E+00 H2 588 1.008000 0.423800 -5.5185E+00 1.7815E+01 -7.3571E+00 O6 589 15.999400 -0.847600 1.2357E+01 -8.3172E+00 1.9127E+01 H1 590 1.008000 0.423800 1.1805E+01 -9.1442E+00 1.9237E+01 H2 591 1.008000 0.423800 1.1958E+01 -7.7434E+00 1.8412E+01 O6 592 15.999400 -0.847600 -5.7853E+00 1.1779E+01 -1.9238E+01 H1 593 1.008000 0.423800 -5.7310E+00 1.1175E+01 1.9064E+01 H2 594 1.008000 0.423800 -6.6151E+00 1.2334E+01 -1.9297E+01 O6 595 15.999400 -0.847600 1.2406E+01 9.9553E-01 1.8298E+01 H1 596 1.008000 0.423800 1.1460E+01 1.2962E+00 1.8176E+01 H2 597 1.008000 0.423800 1.2887E+01 1.6405E+00 1.8892E+01 O6 598 15.999400 -0.847600 7.1611E-01 1.7002E+01 -3.9350E+00 H1 599 1.008000 0.423800 -1.3449E-01 1.7060E+01 -4.4577E+00 H2 600 1.008000 0.423800 1.4948E+00 1.7028E+01 -4.5618E+00 O6 601 15.999400 -0.847600 -5.1708E+00 1.3068E+01 1.8250E+00 H1 602 1.008000 0.423800 -4.5772E+00 1.3021E+01 2.6284E+00 H2 603 1.008000 0.423800 -4.7954E+00 1.3725E+01 1.1713E+00 O6 604 15.999400 -0.847600 1.6474E+01 1.2087E+01 -1.1986E+01 H1 605 1.008000 0.423800 1.6993E+01 1.1926E+01 -1.2825E+01 H2 606 1.008000 0.423800 1.5536E+01 1.2342E+01 -1.2218E+01 O6 607 15.999400 -0.847600 1.9270E+01 1.4737E+01 4.1314E+00 H1 608 1.008000 0.423800 -1.9462E+01 1.4817E+01 5.0591E+00 H2 609 1.008000 0.423800 1.8277E+01 1.4846E+01 4.1535E+00 O6 610 15.999400 -0.847600 -7.7111E+00 -4.1830E+00 -1.3508E+01 H1 611 1.008000 0.423800 -8.1195E+00 -4.4288E+00 -1.2628E+01 H2 612 1.008000 0.423800 -7.5453E+00 -3.1972E+00 -1.3534E+01 O6 613 15.999400 -0.847600 4.3936E+00 1.0329E+01 -9.4377E+00 H1 614 1.008000 0.423800 4.1131E+00 1.1018E+01 -8.7702E+00 H2 615 1.008000 0.423800 4.1895E+00 1.0656E+01 -1.0360E+01 O6 616 15.999400 -0.847600 3.0311E+00 -7.3914E+00 -6.3759E+00 H1 617 1.008000 0.423800 2.3373E+00 -7.4253E+00 -5.6565E+00 H2 618 1.008000 0.423800 3.2869E+00 -8.3223E+00 -6.6364E+00 O6 619 15.999400 -0.847600 -1.1688E+01 -1.5457E+01 6.7471E+00 H1 620 1.008000 0.423800 -1.2139E+01 -1.5867E+01 5.9535E+00 H2 621 1.008000 0.423800 -1.2002E+01 -1.4515E+01 6.8589E+00 O6 622 15.999400 -0.847600 5.2071E+00 -3.9668E+00 -1.7918E+01 H1 623 1.008000 0.423800 4.5885E+00 -3.3522E+00 -1.8407E+01 H2 624 1.008000 0.423800 4.9634E+00 -3.9821E+00 -1.6948E+01 O6 625 15.999400 -0.847600 1.3347E+01 2.1584E+00 3.5475E+00 H1 626 1.008000 0.423800 1.2915E+01 2.0773E+00 4.4459E+00 H2 627 1.008000 0.423800 1.3247E+01 3.0955E+00 3.2131E+00 O6 628 15.999400 -0.847600 1.2537E+01 1.7436E+01 -1.2006E+01 H1 629 1.008000 0.423800 1.2541E+01 1.6686E+01 -1.1344E+01 H2 630 1.008000 0.423800 1.3477E+01 1.7718E+01 -1.2196E+01 O6 631 15.999400 -0.847600 7.4617E+00 -3.3884E+00 1.2659E+01 H1 632 1.008000 0.423800 6.5586E+00 -3.5994E+00 1.3033E+01 H2 633 1.008000 0.423800 8.0288E+00 -4.2120E+00 1.2673E+01 O6 634 15.999400 -0.847600 -1.8322E+01 -1.0371E+01 1.6789E+01 H1 635 1.008000 0.423800 -1.8599E+01 -9.4627E+00 1.7104E+01 H2 636 1.008000 0.423800 -1.8725E+01 -1.1066E+01 1.7384E+01 O6 637 15.999400 -0.847600 6.7141E+00 1.3538E+01 -8.6810E+00 H1 638 1.008000 0.423800 5.7979E+00 1.3707E+01 -8.3179E+00 H2 639 1.008000 0.423800 6.9799E+00 1.2594E+01 -8.4870E+00 O6 640 15.999400 -0.847600 -1.6161E+01 4.3800E+00 -1.9324E+01 H1 641 1.008000 0.423800 -1.5562E+01 4.0155E+00 -1.8612E+01 H2 642 1.008000 0.423800 -1.6253E+01 5.3691E+00 -1.9209E+01 O6 643 15.999400 -0.847600 -1.1100E+01 1.1137E+01 4.4296E+00 H1 644 1.008000 0.423800 -1.0840E+01 1.1547E+01 5.3041E+00 H2 645 1.008000 0.423800 -1.0736E+01 1.1691E+01 3.6809E+00 O6 646 15.999400 -0.847600 9.2800E+00 1.3320E+01 -1.4893E+01 H1 647 1.008000 0.423800 8.9855E+00 1.4212E+01 -1.4550E+01 H2 648 1.008000 0.423800 9.0367E+00 1.2611E+01 -1.4231E+01 O6 649 15.999400 -0.847600 3.3437E+00 -2.2765E+00 2.2171E+00 H1 650 1.008000 0.423800 3.3170E+00 -1.3393E+00 1.8691E+00 H2 651 1.008000 0.423800 3.7821E+00 -2.2859E+00 3.1158E+00 O6 652 15.999400 -0.847600 3.6914E+00 1.4767E+01 2.5818E+00 H1 653 1.008000 0.423800 4.3714E+00 1.5212E+01 1.9991E+00 H2 654 1.008000 0.423800 3.0327E+00 1.4277E+01 2.0109E+00 O6 655 15.999400 -0.847600 -1.3403E+01 1.3271E+01 6.2476E+00 H1 656 1.008000 0.423800 -1.4261E+01 1.3184E+01 6.7536E+00 H2 657 1.008000 0.423800 -1.3172E+01 1.4238E+01 6.1460E+00 O6 658 15.999400 -0.847600 8.0431E+00 6.8432E-01 1.1704E+01 H1 659 1.008000 0.423800 7.8648E+00 -1.1488E-01 1.1130E+01 H2 660 1.008000 0.423800 7.3029E+00 1.3472E+00 1.1592E+01 O6 661 15.999400 -0.847600 3.5067E+00 1.8418E+01 3.7067E+00 H1 662 1.008000 0.423800 2.6737E+00 1.8397E+01 3.1537E+00 H2 663 1.008000 0.423800 3.4993E+00 1.9229E+01 4.2910E+00 O6 664 15.999400 -0.847600 1.7755E+01 -1.6760E+01 -9.4238E-02 H1 665 1.008000 0.423800 1.6778E+01 -1.6555E+01 -3.8636E-02 H2 666 1.008000 0.423800 1.7932E+01 -1.7320E+01 -9.0346E-01 O6 667 15.999400 -0.847600 1.0471E+01 -1.0426E+01 1.3080E+01 H1 668 1.008000 0.423800 1.0597E+01 -1.1286E+01 1.3574E+01 H2 669 1.008000 0.423800 1.1065E+01 -1.0413E+01 1.2276E+01 O6 670 15.999400 -0.847600 8.2706E+00 -1.5235E+01 -1.5520E+01 H1 671 1.008000 0.423800 8.5759E+00 -1.4316E+01 -1.5271E+01 H2 672 1.008000 0.423800 7.4078E+00 -1.5436E+01 -1.5056E+01 O6 673 15.999400 -0.847600 -1.0546E+00 1.4057E+01 -1.9069E+01 H1 674 1.008000 0.423800 -1.9879E+00 1.3721E+01 -1.8943E+01 H2 675 1.008000 0.423800 -7.9954E-01 1.3982E+01 1.9065E+01 O6 676 15.999400 -0.847600 -1.3212E+01 5.8713E+00 -1.0065E+01 H1 677 1.008000 0.423800 -1.3891E+01 5.3053E+00 -1.0533E+01 H2 678 1.008000 0.423800 -1.2725E+01 5.3179E+00 -9.3895E+00 O6 679 15.999400 -0.847600 -1.9443E+01 -1.5397E+00 2.3730E+00 H1 680 1.008000 0.423800 1.9292E+01 -1.7531E+00 3.2799E+00 H2 681 1.008000 0.423800 -1.8591E+01 -1.0236E+00 2.4679E+00 O6 682 15.999400 -0.847600 -3.2302E+00 -1.1500E+01 9.3677E+00 H1 683 1.008000 0.423800 -3.4382E+00 -1.0584E+01 9.0229E+00 H2 684 1.008000 0.423800 -3.1910E+00 -1.1478E+01 1.0367E+01 O6 685 15.999400 -0.847600 -5.9481E+00 9.2411E+00 8.7076E+00 H1 686 1.008000 0.423800 -5.2623E+00 9.7121E+00 8.1527E+00 H2 687 1.008000 0.423800 -6.4224E+00 8.5629E+00 8.1463E+00 O6 688 15.999400 -0.847600 -9.1520E+00 1.6453E+01 -1.4886E+01 H1 689 1.008000 0.423800 -8.4957E+00 1.5976E+01 -1.5470E+01 H2 690 1.008000 0.423800 -9.7449E+00 1.7027E+01 -1.5451E+01 O6 691 15.999400 -0.847600 -1.1834E+01 -3.9199E+00 1.5972E+01 H1 692 1.008000 0.423800 -1.2122E+01 -3.3816E+00 1.5180E+01 H2 693 1.008000 0.423800 -1.1425E+01 -4.7780E+00 1.5662E+01 O6 694 15.999400 -0.847600 7.5967E+00 4.5566E-01 1.3411E+00 H1 695 1.008000 0.423800 8.0617E+00 1.0952E+00 7.2889E-01 H2 696 1.008000 0.423800 6.8886E+00 -3.5849E-02 8.3412E-01 O6 697 15.999400 -0.847600 3.4413E+00 2.8112E+00 1.7910E+01 H1 698 1.008000 0.423800 4.3294E+00 2.5774E+00 1.8305E+01 H2 699 1.008000 0.423800 3.4138E+00 3.7901E+00 1.7707E+01 O6 700 15.999400 -0.847600 1.7437E+01 -1.5447E+01 1.5087E+01 H1 701 1.008000 0.423800 1.8089E+01 -1.4901E+01 1.4560E+01 H2 702 1.008000 0.423800 1.7801E+01 -1.5606E+01 1.6004E+01 O6 703 15.999400 -0.847600 1.2083E+01 1.4688E+01 -1.4038E+01 H1 704 1.008000 0.423800 1.1291E+01 1.4190E+01 -1.3683E+01 H2 705 1.008000 0.423800 1.2626E+01 1.4080E+01 -1.4617E+01 O6 706 15.999400 -0.847600 -1.2492E+01 9.3694E+00 6.0967E+00 H1 707 1.008000 0.423800 -1.1891E+01 9.6507E+00 6.8450E+00 H2 708 1.008000 0.423800 -1.3295E+01 8.9050E+00 6.4705E+00 O6 709 15.999400 -0.847600 1.4164E+01 -1.2970E+01 1.0707E+01 H1 710 1.008000 0.423800 1.4059E+01 -1.2663E+01 1.1653E+01 H2 711 1.008000 0.423800 1.3261E+01 -1.3072E+01 1.0288E+01 O6 712 15.999400 -0.847600 -9.8022E+00 -2.5188E+00 -1.1556E+01 H1 713 1.008000 0.423800 -9.4002E+00 -1.8818E+00 -1.2213E+01 H2 714 1.008000 0.423800 -1.0666E+01 -2.8697E+00 -1.1917E+01 O6 715 15.999400 -0.847600 -1.5540E+01 -1.7896E+01 6.4200E+00 H1 716 1.008000 0.423800 -1.5404E+01 -1.8755E+01 6.9125E+00 H2 717 1.008000 0.423800 -1.4807E+01 -1.7257E+01 6.6557E+00 O6 718 15.999400 -0.847600 -7.5352E+00 1.3972E+01 3.0712E+00 H1 719 1.008000 0.423800 -6.7201E+00 1.3555E+01 2.6682E+00 H2 720 1.008000 0.423800 -7.3417E+00 1.4237E+01 4.0158E+00 O6 721 15.999400 -0.847600 -1.3846E+01 -1.1017E+01 -8.3178E+00 H1 722 1.008000 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-1.0269E+01 O6 772 15.999400 -0.847600 -6.4176E+00 -1.1066E+01 -1.5482E+01 H1 773 1.008000 0.423800 -5.7989E+00 -1.0998E+01 -1.4700E+01 H2 774 1.008000 0.423800 -6.6483E+00 -1.2026E+01 -1.5641E+01 O6 775 15.999400 -0.847600 -1.3920E+01 8.1869E+00 -1.8278E+01 H1 776 1.008000 0.423800 -1.4265E+01 8.8663E+00 -1.8925E+01 H2 777 1.008000 0.423800 -1.2964E+01 7.9826E+00 -1.8488E+01 O6 778 15.999400 -0.847600 -1.6477E+01 1.7180E+01 -3.9995E+00 H1 779 1.008000 0.423800 -1.6555E+01 1.6313E+01 -4.4914E+00 H2 780 1.008000 0.423800 -1.6605E+01 1.7938E+01 -4.6387E+00 O6 781 15.999400 -0.847600 6.0707E-02 -1.2509E+01 1.6890E+01 H1 782 1.008000 0.423800 4.4685E-01 -1.2069E+01 1.7701E+01 H2 783 1.008000 0.423800 7.0616E-01 -1.2432E+01 1.6130E+01 O6 784 15.999400 -0.847600 8.7937E+00 -1.4203E+01 -1.0431E+00 H1 785 1.008000 0.423800 8.5762E+00 -1.5073E+01 -1.4861E+00 H2 786 1.008000 0.423800 9.6439E+00 -1.3839E+01 -1.4232E+00 O6 787 15.999400 -0.847600 1.0442E+01 4.7506E+00 -1.5836E+01 H1 788 1.008000 0.423800 1.0249E+01 5.7092E+00 -1.5627E+01 H2 789 1.008000 0.423800 9.5831E+00 4.2668E+00 -1.6005E+01 O6 790 15.999400 -0.847600 -3.9427E+00 9.1824E+00 -1.0712E+01 H1 791 1.008000 0.423800 -4.5362E+00 9.2487E+00 -9.9101E+00 H2 792 1.008000 0.423800 -4.2912E+00 9.7794E+00 -1.1435E+01 O6 793 15.999400 -0.847600 1.6821E+01 -7.1480E+00 -1.2470E+01 H1 794 1.008000 0.423800 1.6299E+01 -7.4655E+00 -1.1678E+01 H2 795 1.008000 0.423800 1.7106E+01 -6.2007E+00 -1.2323E+01 O6 796 15.999400 -0.847600 -6.6013E+00 1.5115E+01 5.5042E+00 H1 797 1.008000 0.423800 -5.9808E+00 1.5449E+01 4.7943E+00 H2 798 1.008000 0.423800 -6.1388E+00 1.4416E+01 6.0495E+00 O6 799 15.999400 -0.847600 9.4826E+00 1.8180E+01 1.8928E+01 H1 800 1.008000 0.423800 9.7874E+00 1.7592E+01 -1.9420E+01 H2 801 1.008000 0.423800 9.3231E+00 1.9104E+01 1.9273E+01 O6 802 15.999400 -0.847600 1.8059E+01 -4.0415E+00 -1.7296E+01 H1 803 1.008000 0.423800 1.8722E+01 -3.3113E+00 -1.7130E+01 H2 804 1.008000 0.423800 1.8543E+01 -4.8797E+00 -1.7548E+01 O6 805 15.999400 -0.847600 -1.8759E+01 -1.0928E+01 7.9269E+00 H1 806 1.008000 0.423800 -1.9400E+01 -1.1396E+01 7.3186E+00 H2 807 1.008000 0.423800 -1.8936E+01 -9.9442E+00 7.9049E+00 O6 808 15.999400 -0.847600 -1.8264E+01 -2.0024E+00 -8.4593E+00 H1 809 1.008000 0.423800 -1.7369E+01 -1.6113E+00 -8.2483E+00 H2 810 1.008000 0.423800 -1.8508E+01 -1.7859E+00 -9.4047E+00 O6 811 15.999400 -0.847600 -4.3936E+00 3.9769E+00 -1.4958E+01 H1 812 1.008000 0.423800 -5.3657E+00 3.9689E+00 -1.4724E+01 H2 813 1.008000 0.423800 -4.2350E+00 3.3766E+00 -1.5742E+01 O6 814 15.999400 -0.847600 -6.2344E+00 1.6799E+01 -3.8071E-01 H1 815 1.008000 0.423800 -6.2993E+00 1.6909E+01 -1.3725E+00 H2 816 1.008000 0.423800 -7.0497E+00 1.6328E+01 -4.3566E-02 O6 817 15.999400 -0.847600 -1.6099E+01 5.4617E+00 1.2926E+01 H1 818 1.008000 0.423800 -1.5858E+01 5.7789E+00 1.2009E+01 H2 819 1.008000 0.423800 -1.7093E+01 5.4841E+00 1.3036E+01 O6 820 15.999400 -0.847600 1.6855E+01 8.2240E+00 1.8255E+01 H1 821 1.008000 0.423800 1.6854E+01 7.9418E+00 1.7296E+01 H2 822 1.008000 0.423800 1.7340E+01 7.5416E+00 1.8802E+01 O6 823 15.999400 -0.847600 -3.7600E+00 -1.9070E+01 -1.1838E+01 H1 824 1.008000 0.423800 -3.2404E+00 -1.8218E+01 -1.1779E+01 H2 825 1.008000 0.423800 -4.7354E+00 -1.8862E+01 -1.1909E+01 O6 826 15.999400 -0.847600 -5.4017E+00 -9.0729E+00 6.3479E-01 H1 827 1.008000 0.423800 -4.5679E+00 -9.1111E+00 8.3931E-02 H2 828 1.008000 0.423800 -5.1892E+00 -8.6928E+00 1.5350E+00 O6 829 15.999400 -0.847600 -1.7852E+01 1.8801E+01 1.7551E+01 H1 830 1.008000 0.423800 -1.6857E+01 1.8853E+01 1.7472E+01 H2 831 1.008000 0.423800 -1.8166E+01 1.7909E+01 1.7225E+01 O6 832 15.999400 -0.847600 5.3281E+00 -3.9256E+00 -1.4348E+00 H1 833 1.008000 0.423800 4.6407E+00 -4.4393E+00 -9.2125E-01 H2 834 1.008000 0.423800 4.8979E+00 -3.4937E+00 -2.2275E+00 O6 835 15.999400 -0.847600 1.4304E+01 -2.5635E+00 1.0859E+01 H1 836 1.008000 0.423800 1.3340E+01 -2.4952E+00 1.1114E+01 H2 837 1.008000 0.423800 1.4826E+01 -1.8559E+00 1.1335E+01 O6 838 15.999400 -0.847600 9.0887E+00 1.4550E+01 1.1874E+01 H1 839 1.008000 0.423800 8.9776E+00 1.3556E+01 1.1843E+01 H2 840 1.008000 0.423800 8.4014E+00 1.4943E+01 1.2485E+01 O6 841 15.999400 -0.847600 -1.8092E+01 1.2648E+01 -1.7415E+01 H1 842 1.008000 0.423800 -1.7503E+01 1.3253E+01 -1.7951E+01 H2 843 1.008000 0.423800 -1.7620E+01 1.1782E+01 -1.7253E+01 O6 844 15.999400 -0.847600 1.0411E+01 1.6497E+01 1.0637E+01 H1 845 1.008000 0.423800 9.7572E+00 1.7201E+01 1.0359E+01 H2 846 1.008000 0.423800 9.9384E+00 1.5796E+01 1.1171E+01 O6 847 15.999400 -0.847600 7.0059E+00 -1.0581E+01 -1.3651E+01 H1 848 1.008000 0.423800 7.4263E+00 -1.1256E+01 -1.4258E+01 H2 849 1.008000 0.423800 7.7147E+00 -1.0141E+01 -1.3099E+01 O6 850 15.999400 -0.847600 1.0091E+00 -1.6235E+01 -2.7762E+00 H1 851 1.008000 0.423800 9.9900E-01 -1.7195E+01 -3.0566E+00 H2 852 1.008000 0.423800 9.7907E-02 -1.5842E+01 -2.8999E+00 O6 853 15.999400 -0.847600 -1.9413E+01 3.0352E+00 1.4073E+01 H1 854 1.008000 0.423800 1.9024E+01 2.6235E+00 1.4700E+01 H2 855 1.008000 0.423800 1.9501E+01 2.7217E+00 1.3142E+01 O6 856 15.999400 -0.847600 2.0606E+00 -1.9848E+00 -1.3168E+01 H1 857 1.008000 0.423800 1.1303E+00 -1.6701E+00 -1.2979E+01 H2 858 1.008000 0.423800 2.1518E+00 -2.9410E+00 -1.2889E+01 O6 859 15.999400 -0.847600 1.4221E+01 7.2410E+00 -4.2861E+00 H1 860 1.008000 0.423800 1.3834E+01 7.5867E+00 -3.4314E+00 H2 861 1.008000 0.423800 1.4960E+01 7.8455E+00 -4.5860E+00 O6 862 15.999400 -0.847600 1.2316E+01 -5.6958E+00 -1.8324E+01 H1 863 1.008000 0.423800 1.2380E+01 -6.5187E+00 -1.8889E+01 H2 864 1.008000 0.423800 1.2897E+01 -5.7990E+00 -1.7517E+01 O6 865 15.999400 -0.847600 1.3717E+01 -1.3167E+01 -1.5707E+01 H1 866 1.008000 0.423800 1.3528E+01 -1.2556E+01 -1.6476E+01 H2 867 1.008000 0.423800 1.3198E+01 -1.4014E+01 -1.5819E+01 O6 868 15.999400 -0.847600 -1.8177E+01 -3.3750E+00 -3.9260E+00 H1 869 1.008000 0.423800 -1.8733E+01 -3.8844E+00 -3.2692E+00 H2 870 1.008000 0.423800 -1.7818E+01 -4.0028E+00 -4.6166E+00 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-7.3453E+00 -1.6197E+01 -3.7293E+00 H2 888 1.008000 0.423800 -8.4301E+00 -1.5447E+01 -2.7663E+00 O6 889 15.999400 -0.847600 -1.6716E+00 1.1301E+01 1.0082E+01 H1 890 1.008000 0.423800 -2.1738E+00 1.0452E+01 9.9194E+00 H2 891 1.008000 0.423800 -2.2375E+00 1.1925E+01 1.0621E+01 O6 892 15.999400 -0.847600 -1.4498E+00 9.1626E+00 7.0710E+00 H1 893 1.008000 0.423800 -1.1730E+00 9.6362E+00 6.2348E+00 H2 894 1.008000 0.423800 -7.5012E-01 8.4939E+00 7.3224E+00 O6 895 15.999400 -0.847600 -1.1991E+01 -1.2506E+01 7.7562E+00 H1 896 1.008000 0.423800 -1.1212E+01 -1.2330E+01 8.3576E+00 H2 897 1.008000 0.423800 -1.1751E+01 -1.2256E+01 6.8181E+00 O6 898 15.999400 -0.847600 -6.9576E-01 -1.1201E+01 1.1799E+01 H1 899 1.008000 0.423800 -1.1094E-01 -1.2012E+01 1.1771E+01 H2 900 1.008000 0.423800 -1.6887E-01 -1.0422E+01 1.2138E+01 O6 901 15.999400 -0.847600 -5.1392E+00 1.0322E+01 1.7455E+01 H1 902 1.008000 0.423800 -5.6775E+00 9.4806E+00 1.7494E+01 H2 903 1.008000 0.423800 -5.7515E+00 1.1104E+01 1.7337E+01 O6 904 15.999400 -0.847600 -4.1655E+00 -1.7559E+01 -1.6644E+01 H1 905 1.008000 0.423800 -3.9065E+00 -1.7665E+01 -1.7604E+01 H2 906 1.008000 0.423800 -4.4401E+00 -1.6613E+01 -1.6475E+01 O6 907 15.999400 -0.847600 9.8148E+00 7.3670E+00 1.3531E+01 H1 908 1.008000 0.423800 9.0547E+00 7.2318E+00 1.4167E+01 H2 909 1.008000 0.423800 1.0190E+01 6.4786E+00 1.3267E+01 O6 910 15.999400 -0.847600 -1.2025E+01 1.1138E+01 -3.7582E+00 H1 911 1.008000 0.423800 -1.1344E+01 1.1815E+01 -4.0381E+00 H2 912 1.008000 0.423800 -1.1843E+01 1.0272E+01 -4.2234E+00 O6 913 15.999400 -0.847600 -1.3363E+01 -1.9249E+00 -1.0485E+01 H1 914 1.008000 0.423800 -1.3690E+01 -2.3705E+00 -9.6510E+00 H2 915 1.008000 0.423800 -1.3219E+01 -9.5137E-01 -1.0307E+01 O6 916 15.999400 -0.847600 -1.6331E+00 1.5301E+01 -1.1979E+01 H1 917 1.008000 0.423800 -1.0762E+00 1.6115E+01 -1.1814E+01 H2 918 1.008000 0.423800 -2.0004E+00 1.5331E+01 -1.2908E+01 O6 919 15.999400 -0.847600 -1.7372E+00 -3.5552E+00 -1.3208E+01 H1 920 1.008000 0.423800 -1.5140E+00 -2.7736E+00 -1.2626E+01 H2 921 1.008000 0.423800 -2.7028E+00 -3.5144E+00 -1.3465E+01 O6 922 15.999400 -0.847600 1.7654E+00 -1.3386E+01 -9.6890E+00 H1 923 1.008000 0.423800 2.4572E+00 -1.3688E+01 -9.0328E+00 H2 924 1.008000 0.423800 2.1724E+00 -1.2731E+01 -1.0325E+01 O6 925 15.999400 -0.847600 -4.8199E+00 6.9470E+00 1.0351E+01 H1 926 1.008000 0.423800 -4.1806E+00 7.6809E+00 1.0121E+01 H2 927 1.008000 0.423800 -5.6042E+00 6.9824E+00 9.7314E+00 O6 928 15.999400 -0.847600 -8.6234E+00 -3.1997E-01 9.6892E+00 H1 929 1.008000 0.423800 -7.7938E+00 4.7455E-02 1.0110E+01 H2 930 1.008000 0.423800 -8.6985E+00 1.6329E-02 8.7505E+00 O6 931 15.999400 -0.847600 -1.4152E+01 1.3059E+01 -4.1738E+00 H1 932 1.008000 0.423800 -1.3797E+01 1.2507E+01 -4.9277E+00 H2 933 1.008000 0.423800 -1.3711E+01 1.2781E+01 -3.3203E+00 O6 934 15.999400 -0.847600 5.6290E+00 1.4048E+01 1.7718E+01 H1 935 1.008000 0.423800 4.6514E+00 1.3920E+01 1.7886E+01 H2 936 1.008000 0.423800 5.9873E+00 1.3260E+01 1.7218E+01 O6 937 15.999400 -0.847600 1.2498E+01 -1.7056E+01 -4.1760E+00 H1 938 1.008000 0.423800 1.2109E+01 -1.6914E+01 -3.2658E+00 H2 939 1.008000 0.423800 1.1835E+01 -1.6774E+01 -4.8695E+00 O6 940 15.999400 -0.847600 2.5100E+00 1.1549E+01 1.1288E+01 H1 941 1.008000 0.423800 2.0187E+00 1.0908E+01 1.0699E+01 H2 942 1.008000 0.423800 3.4068E+00 1.1746E+01 1.0892E+01 O6 943 15.999400 -0.847600 5.2649E-01 -1.2056E+01 3.9389E+00 H1 944 1.008000 0.423800 9.9346E-01 -1.1853E+01 3.0784E+00 H2 945 1.008000 0.423800 -4.5403E-01 -1.2157E+01 3.7702E+00 O6 946 15.999400 -0.847600 -8.7283E-01 -2.0132E+00 -1.1245E+01 H1 947 1.008000 0.423800 -1.8655E-01 -1.9555E+00 -1.0520E+01 H2 948 1.008000 0.423800 -1.7758E+00 -2.1532E+00 -1.0839E+01 O6 949 15.999400 -0.847600 1.4236E+01 -8.0124E+00 3.9122E-01 H1 950 1.008000 0.423800 1.4462E+01 -8.9450E+00 1.0944E-01 H2 951 1.008000 0.423800 1.3243E+01 -7.8977E+00 3.9908E-01 O6 952 15.999400 -0.847600 8.3647E+00 8.3975E+00 -7.4286E+00 H1 953 1.008000 0.423800 7.7186E+00 7.9170E+00 -6.8356E+00 H2 954 1.008000 0.423800 7.8985E+00 9.1556E+00 -7.8844E+00 O6 955 15.999400 -0.847600 1.1117E+01 9.8577E-01 -8.9006E+00 H1 956 1.008000 0.423800 1.1127E+01 7.3978E-02 -8.4900E+00 H2 957 1.008000 0.423800 1.2055E+01 1.3178E+00 -8.9976E+00 O6 958 15.999400 -0.847600 -7.1867E+00 -8.0035E+00 -1.2694E+00 H1 959 1.008000 0.423800 -6.5013E+00 -8.4103E+00 -6.6545E-01 H2 960 1.008000 0.423800 -7.7349E+00 -8.7281E+00 -1.6870E+00 O6 961 15.999400 -0.847600 1.6758E+01 3.8143E+00 3.6314E+00 H1 962 1.008000 0.423800 1.7276E+01 3.0114E+00 3.3375E+00 H2 963 1.008000 0.423800 1.6340E+01 4.2515E+00 2.8347E+00 O6 964 15.999400 -0.847600 1.0858E+01 2.9825E+00 9.2995E+00 H1 965 1.008000 0.423800 1.0531E+01 3.6611E+00 8.6415E+00 H2 966 1.008000 0.423800 1.0453E+01 2.0926E+00 9.0892E+00 O6 967 15.999400 -0.847600 -1.2581E+01 -1.6288E+00 1.0204E+01 H1 968 1.008000 0.423800 -1.3433E+01 -2.1224E+00 1.0378E+01 H2 969 1.008000 0.423800 -1.2397E+01 -1.6191E+00 9.2208E+00 O6 970 15.999400 -0.847600 1.1906E+01 1.5489E+00 -3.6058E-01 H1 971 1.008000 0.423800 1.2705E+01 1.3142E+00 1.9418E-01 H2 972 1.008000 0.423800 1.2194E+01 2.1041E+00 -1.1409E+00 O6 973 15.999400 -0.847600 5.8974E-01 -1.1295E+01 -1.3324E+01 H1 974 1.008000 0.423800 8.3727E-01 -1.0432E+01 -1.2882E+01 H2 975 1.008000 0.423800 -4.0570E-01 -1.1360E+01 -1.3393E+01 O6 976 15.999400 -0.847600 8.9461E+00 -7.4056E+00 -1.4043E+00 H1 977 1.008000 0.423800 8.9607E+00 -7.7931E+00 -2.3261E+00 H2 978 1.008000 0.423800 8.5130E+00 -6.5045E+00 -1.4285E+00 O6 979 15.999400 -0.847600 1.1145E+00 -9.4178E+00 1.2548E+01 H1 980 1.008000 0.423800 1.1546E+00 -8.4434E+00 1.2769E+01 H2 981 1.008000 0.423800 1.5594E+00 -9.9429E+00 1.3273E+01 O6 982 15.999400 -0.847600 -5.5029E+00 -2.2006E+00 1.6306E+01 H1 983 1.008000 0.423800 -6.3324E+00 -2.2531E+00 1.5750E+01 H2 984 1.008000 0.423800 -5.7388E+00 -1.8958E+00 1.7229E+01 O6 985 15.999400 -0.847600 -2.3891E+00 -1.0078E+01 3.9663E+00 H1 986 1.008000 0.423800 -2.5130E+00 -1.0228E+01 4.9472E+00 H2 987 1.008000 0.423800 -3.0565E+00 -9.4064E+00 3.6450E+00 O6 988 15.999400 -0.847600 -9.5999E-01 4.8464E+00 5.7489E+00 H1 989 1.008000 0.423800 -1.2961E-01 4.3045E+00 5.8788E+00 H2 990 1.008000 0.423800 -1.1595E+00 4.9215E+00 4.7719E+00 O6 991 15.999400 -0.847600 -8.0864E+00 -5.2486E+00 6.8541E+00 H1 992 1.008000 0.423800 -8.2617E+00 -6.0840E+00 6.3331E+00 H2 993 1.008000 0.423800 -7.1577E+00 -5.2752E+00 7.2239E+00 O6 994 15.999400 -0.847600 1.1749E+01 1.1089E+01 1.9646E+00 H1 995 1.008000 0.423800 1.1857E+01 1.0138E+01 2.2547E+00 H2 996 1.008000 0.423800 1.0825E+01 1.1226E+01 1.6081E+00 O6 997 15.999400 -0.847600 1.7464E+01 -1.9100E+00 1.0001E+01 H1 998 1.008000 0.423800 1.6941E+01 -1.7500E+00 1.0838E+01 H2 999 1.008000 0.423800 1.7776E+01 -2.8599E+00 9.9792E+00 O6 1000 15.999400 -0.847600 4.4105E+00 -7.0809E+00 -1.8405E+01 H1 1001 1.008000 0.423800 4.1182E+00 -6.2131E+00 -1.8003E+01 H2 1002 1.008000 0.423800 3.6435E+00 -7.7224E+00 -1.8407E+01 O6 1003 15.999400 -0.847600 -6.2587E+00 -1.8696E+01 3.2433E+00 H1 1004 1.008000 0.423800 -5.8659E+00 1.9487E+01 3.3333E+00 H2 1005 1.008000 0.423800 -6.5967E+00 -1.8389E+01 4.1331E+00 O6 1006 15.999400 -0.847600 -6.2698E+00 -1.4277E+01 -8.0379E+00 H1 1007 1.008000 0.423800 -5.6015E+00 -1.4902E+01 -7.6345E+00 H2 1008 1.008000 0.423800 -6.0336E+00 -1.3336E+01 -7.7969E+00 O6 1009 15.999400 -0.847600 5.2100E+00 -1.7726E+01 -1.2124E+01 H1 1010 1.008000 0.423800 5.0885E+00 -1.7119E+01 -1.1339E+01 H2 1011 1.008000 0.423800 4.6747E+00 -1.8560E+01 -1.1986E+01 O6 1012 15.999400 -0.847600 8.9541E+00 -3.9633E+00 9.4857E-01 H1 1013 1.008000 0.423800 9.4328E+00 -3.1341E+00 6.6011E-01 H2 1014 1.008000 0.423800 8.6726E+00 -4.4832E+00 1.4207E-01 O6 1015 15.999400 -0.847600 -1.5407E+01 -1.1144E+00 -8.1200E+00 H1 1016 1.008000 0.423800 -1.5036E+01 -2.9100E-01 -7.6905E+00 H2 1017 1.008000 0.423800 -1.4727E+01 -1.8465E+00 -8.0795E+00 O6 1018 15.999400 -0.847600 -1.2301E+01 -7.3377E+00 -3.1671E+00 H1 1019 1.008000 0.423800 -1.2429E+01 -8.3206E+00 -3.2995E+00 H2 1020 1.008000 0.423800 -1.1573E+01 -7.1837E+00 -2.4981E+00 O6 1021 15.999400 -0.847600 1.2184E+01 -1.5415E+01 -1.6577E+01 H1 1022 1.008000 0.423800 1.2924E+01 -1.6086E+01 -1.6614E+01 H2 1023 1.008000 0.423800 1.1357E+01 -1.5849E+01 -1.6218E+01 O6 1024 15.999400 -0.847600 -6.7049E+00 6.0536E+00 -1.2314E+01 H1 1025 1.008000 0.423800 -6.8401E+00 5.0690E+00 -1.2203E+01 H2 1026 1.008000 0.423800 -7.1714E+00 6.3629E+00 -1.3143E+01 O6 1027 15.999400 -0.847600 1.3670E+01 -2.4886E+00 -1.2091E+01 H1 1028 1.008000 0.423800 1.2946E+01 -1.8020E+00 -1.2032E+01 H2 1029 1.008000 0.423800 1.4341E+01 -2.3286E+00 -1.1367E+01 O6 1030 15.999400 -0.847600 -1.5485E+01 1.8716E+01 7.5610E+00 H1 1031 1.008000 0.423800 -1.6060E+01 1.8027E+01 8.0029E+00 H2 1032 1.008000 0.423800 -1.4648E+01 1.8284E+01 7.2240E+00 O6 1033 15.999400 -0.847600 -5.4773E+00 4.4147E+00 1.1081E+01 H1 1034 1.008000 0.423800 -5.0160E+00 4.4730E+00 1.1966E+01 H2 1035 1.008000 0.423800 -5.3159E+00 5.2560E+00 1.0565E+01 O6 1036 15.999400 -0.847600 7.3153E+00 4.1323E+00 1.8079E+01 H1 1037 1.008000 0.423800 7.6415E+00 4.3776E+00 1.7166E+01 H2 1038 1.008000 0.423800 7.8915E+00 4.5717E+00 1.8768E+01 O6 1039 15.999400 -0.847600 -1.1277E+01 1.7573E+01 -1.1246E+01 H1 1040 1.008000 0.423800 -1.2243E+01 1.7336E+01 -1.1138E+01 H2 1041 1.008000 0.423800 -1.0815E+01 1.6857E+01 -1.1769E+01 O6 1042 15.999400 -0.847600 -1.4944E+00 8.7839E+00 -3.6914E+00 H1 1043 1.008000 0.423800 -2.3460E+00 8.5218E+00 -3.2375E+00 H2 1044 1.008000 0.423800 -1.5848E+00 9.7086E+00 -4.0612E+00 O6 1045 15.999400 -0.847600 -1.6229E+00 1.7185E+00 -1.6609E+01 H1 1046 1.008000 0.423800 -1.0759E+00 2.4256E+00 -1.6161E+01 H2 1047 1.008000 0.423800 -2.1631E+00 2.1303E+00 -1.7343E+01 O6 1048 15.999400 -0.847600 -1.7216E+01 -6.5015E+00 -3.9299E+00 H1 1049 1.008000 0.423800 -1.6339E+01 -6.0250E+00 -3.8600E+00 H2 1050 1.008000 0.423800 -1.7080E+01 -7.3857E+00 -4.3768E+00 O6 1051 15.999400 -0.847600 1.8539E+01 -6.8192E-01 -6.7817E+00 H1 1052 1.008000 0.423800 1.9233E+01 -9.5277E-01 -7.4487E+00 H2 1053 1.008000 0.423800 1.8952E+01 -6.3170E-01 -5.8725E+00 O6 1054 15.999400 -0.847600 -5.0549E-01 1.1451E+01 1.9541E+01 H1 1055 1.008000 0.423800 -5.4755E-01 1.2391E+01 -1.9218E+01 H2 1056 1.008000 0.423800 1.4501E-01 1.1398E+01 1.8784E+01 O6 1057 15.999400 -0.847600 5.7599E+00 -9.2910E+00 -1.7827E+01 H1 1058 1.008000 0.423800 5.3912E+00 -8.3846E+00 -1.7620E+01 H2 1059 1.008000 0.423800 6.2456E+00 -9.2619E+00 -1.8700E+01 O6 1060 15.999400 -0.847600 -5.1331E+00 2.6567E+00 1.3895E+01 H1 1061 1.008000 0.423800 -4.1407E+00 2.6154E+00 1.3779E+01 H2 1062 1.008000 0.423800 -5.4207E+00 1.9618E+00 1.4554E+01 O6 1063 15.999400 -0.847600 -1.8168E+01 -7.7942E+00 -1.5716E+00 H1 1064 1.008000 0.423800 -1.7571E+01 -7.6407E+00 -2.3590E+00 H2 1065 1.008000 0.423800 -1.8320E+01 -8.7756E+00 -1.4555E+00 O6 1066 15.999400 -0.847600 -1.1920E+01 1.2993E+01 -1.4245E+01 H1 1067 1.008000 0.423800 -1.1291E+01 1.3006E+01 -1.5022E+01 H2 1068 1.008000 0.423800 -1.2413E+01 1.3862E+01 -1.4201E+01 O6 1069 15.999400 -0.847600 -1.4697E+01 1.6562E+01 -1.6040E+01 H1 1070 1.008000 0.423800 -1.4682E+01 1.6208E+01 -1.6975E+01 H2 1071 1.008000 0.423800 -1.5042E+01 1.7501E+01 -1.6045E+01 O6 1072 15.999400 -0.847600 -9.6170E+00 -7.6427E-01 -8.5442E+00 H1 1073 1.008000 0.423800 -9.8049E+00 -1.7357E+00 -8.6892E+00 H2 1074 1.008000 0.423800 -1.0463E+01 -2.9517E-01 -8.2916E+00 O6 1075 15.999400 -0.847600 -4.0984E-01 -2.3454E+00 1.8031E+01 H1 1076 1.008000 0.423800 1.8425E-01 -3.1436E+00 1.7931E+01 H2 1077 1.008000 0.423800 -1.0930E+00 -2.5252E+00 1.8739E+01 O6 1078 15.999400 -0.847600 -1.0212E+01 -9.4487E+00 1.6234E+01 H1 1079 1.008000 0.423800 -9.6696E+00 -9.8629E+00 1.5503E+01 H2 1080 1.008000 0.423800 -9.6128E+00 -9.2000E+00 1.6994E+01 O6 1081 15.999400 -0.847600 -1.5011E+01 -3.4612E+00 1.0345E+01 H1 1082 1.008000 0.423800 -1.4587E+01 -4.3550E+00 1.0491E+01 H2 1083 1.008000 0.423800 -1.5100E+01 -3.2900E+00 9.3641E+00 O6 1084 15.999400 -0.847600 1.8494E+01 -1.2698E+01 6.4915E+00 H1 1085 1.008000 0.423800 1.8008E+01 -1.2800E+01 7.3593E+00 H2 1086 1.008000 0.423800 1.7836E+01 -1.2523E+01 5.7594E+00 O6 1087 15.999400 -0.847600 -4.4845E+00 -1.7600E+01 1.4689E+01 H1 1088 1.008000 0.423800 -4.3895E+00 -1.8340E+01 1.5355E+01 H2 1089 1.008000 0.423800 -4.3611E+00 -1.7964E+01 1.3766E+01 O6 1090 15.999400 -0.847600 2.6890E-01 1.0361E+00 2.1246E+00 H1 1091 1.008000 0.423800 -5.4713E-01 6.3970E-01 1.7039E+00 H2 1092 1.008000 0.423800 5.7272E-01 1.8224E+00 1.5865E+00 O6 1093 15.999400 -0.847600 -2.5057E+00 1.5085E+01 -1.5201E+01 H1 1094 1.008000 0.423800 -1.8993E+00 1.5777E+01 -1.5592E+01 H2 1095 1.008000 0.423800 -2.1559E+00 1.4174E+01 -1.5420E+01 O6 1096 15.999400 -0.847600 2.2627E+00 -9.5869E+00 1.0121E+01 H1 1097 1.008000 0.423800 1.6464E+00 -9.7829E+00 9.3579E+00 H2 1098 1.008000 0.423800 1.7387E+00 -9.5500E+00 1.0971E+01 O6 1099 15.999400 -0.847600 1.8354E+01 7.3822E-01 -2.1659E+00 H1 1100 1.008000 0.423800 1.8528E+01 3.2314E-01 -3.0589E+00 H2 1101 1.008000 0.423800 1.8671E+01 1.2245E-01 -1.4446E+00 O6 1102 15.999400 -0.847600 8.9041E+00 -1.0510E+01 -1.7701E+01 H1 1103 1.008000 0.423800 8.1696E+00 -1.0039E+01 -1.8190E+01 H2 1104 1.008000 0.423800 9.3134E+00 -9.8867E+00 -1.7035E+01 O6 1105 15.999400 -0.847600 6.2754E+00 3.7337E-01 -1.6346E+01 H1 1106 1.008000 0.423800 6.9452E+00 -1.6544E-01 -1.6857E+01 H2 1107 1.008000 0.423800 5.7083E+00 -2.3726E-01 -1.5793E+01 O6 1108 15.999400 -0.847600 -2.6578E+00 1.7685E+01 -6.5358E+00 H1 1109 1.008000 0.423800 -2.0034E+00 1.7440E+01 -7.2512E+00 H2 1110 1.008000 0.423800 -3.3869E+00 1.8245E+01 -6.9288E+00 O6 1111 15.999400 -0.847600 1.1440E+01 -1.9147E+01 5.4130E+00 H1 1112 1.008000 0.423800 1.0649E+01 -1.9419E+01 5.9615E+00 H2 1113 1.008000 0.423800 1.2209E+01 -1.8937E+01 6.0173E+00 O6 1114 15.999400 -0.847600 -9.3270E+00 7.3107E+00 -5.4261E+00 H1 1115 1.008000 0.423800 -8.4638E+00 7.7148E+00 -5.1234E+00 H2 1116 1.008000 0.423800 -9.6051E+00 7.7281E+00 -6.2912E+00 O6 1117 15.999400 -0.847600 4.3146E+00 8.4521E+00 -1.3072E+01 H1 1118 1.008000 0.423800 5.0216E+00 9.1592E+00 -1.3085E+01 H2 1119 1.008000 0.423800 3.7367E+00 8.5446E+00 -1.3883E+01 O6 1120 15.999400 -0.847600 -1.5329E+01 1.6372E+01 1.4056E+01 H1 1121 1.008000 0.423800 -1.5825E+01 1.6282E+01 1.4920E+01 H2 1122 1.008000 0.423800 -1.5502E+01 1.5569E+01 1.3487E+01 O6 1123 15.999400 -0.847600 -1.2910E+01 -2.4632E+00 1.3854E+01 H1 1124 1.008000 0.423800 -1.3825E+01 -2.1841E+00 1.3563E+01 H2 1125 1.008000 0.423800 -1.2517E+01 -3.0808E+00 1.3173E+01 O6 1126 15.999400 -0.847600 1.3343E+01 2.5299E+00 -1.8644E+01 H1 1127 1.008000 0.423800 1.2698E+01 2.2512E+00 -1.7932E+01 H2 1128 1.008000 0.423800 1.3478E+01 3.5200E+00 -1.8602E+01 O6 1129 15.999400 -0.847600 -1.7185E+01 2.8023E+00 -1.7913E+00 H1 1130 1.008000 0.423800 -1.6816E+01 2.3457E+00 -2.6008E+00 H2 1131 1.008000 0.423800 -1.7967E+01 3.3674E+00 -2.0548E+00 O6 1132 15.999400 -0.847600 -3.5659E+00 -1.7693E+01 -2.0511E+00 H1 1133 1.008000 0.423800 -2.8092E+00 -1.8000E+01 -2.6286E+00 H2 1134 1.008000 0.423800 -3.9903E+00 -1.8485E+01 -1.6106E+00 O6 1135 15.999400 -0.847600 1.7206E+01 1.5108E+01 -1.8386E+01 H1 1136 1.008000 0.423800 1.7712E+01 1.4357E+01 -1.7961E+01 H2 1137 1.008000 0.423800 1.6368E+01 1.5279E+01 -1.7868E+01 O6 1138 15.999400 -0.847600 1.8221E+01 -1.7174E+01 -1.1966E+01 H1 1139 1.008000 0.423800 1.8314E+01 -1.8163E+01 -1.1845E+01 H2 1140 1.008000 0.423800 1.8085E+01 -1.6968E+01 -1.2935E+01 O6 1141 15.999400 -0.847600 8.8317E+00 -1.7496E+01 1.6716E+01 H1 1142 1.008000 0.423800 8.5808E+00 -1.7902E+01 1.7595E+01 H2 1143 1.008000 0.423800 8.3959E+00 -1.6600E+01 1.6626E+01 O6 1144 15.999400 -0.847600 -5.8806E+00 1.4899E+01 -4.3818E+00 H1 1145 1.008000 0.423800 -6.6004E+00 1.4700E+01 -5.0471E+00 H2 1146 1.008000 0.423800 -5.9810E+00 1.4294E+01 -3.5918E+00 O6 1147 15.999400 -0.847600 1.3601E+01 4.4857E+00 -4.2087E+00 H1 1148 1.008000 0.423800 1.3954E+01 5.4202E+00 -4.2599E+00 H2 1149 1.008000 0.423800 1.3801E+01 4.0070E+00 -5.0637E+00 O6 1150 15.999400 -0.847600 1.6405E+00 -1.1950E+01 1.4332E+01 H1 1151 1.008000 0.423800 2.6078E+00 -1.1767E+01 1.4508E+01 H2 1152 1.008000 0.423800 1.5571E+00 -1.2633E+01 1.3607E+01 O6 1153 15.999400 -0.847600 -5.4240E+00 -1.8757E+01 -4.1946E+00 H1 1154 1.008000 0.423800 -5.1460E+00 -1.8767E+01 -3.2340E+00 H2 1155 1.008000 0.423800 -5.5895E+00 -1.7815E+01 -4.4843E+00 O6 1156 15.999400 -0.847600 2.7343E-02 7.8022E+00 -1.9576E+00 H1 1157 1.008000 0.423800 4.5180E-01 6.9820E+00 -2.3412E+00 H2 1158 1.008000 0.423800 -5.2731E-01 8.2496E+00 -2.6591E+00 O6 1159 15.999400 -0.847600 4.6058E+00 1.6045E+01 -8.8750E+00 H1 1160 1.008000 0.423800 4.5888E+00 1.5883E+01 -9.8617E+00 H2 1161 1.008000 0.423800 3.7544E+00 1.6489E+01 -8.5956E+00 O6 1162 15.999400 -0.847600 1.6065E+01 1.8573E+01 -6.4529E+00 H1 1163 1.008000 0.423800 1.5447E+01 1.9258E+01 -6.0667E+00 H2 1164 1.008000 0.423800 1.5836E+01 1.8422E+01 -7.4143E+00 O6 1165 15.999400 -0.847600 -1.7897E+01 -1.0455E+01 -9.4166E-01 H1 1166 1.008000 0.423800 -1.7961E+01 -1.1172E+01 -2.4664E-01 H2 1167 1.008000 0.423800 -1.6940E+01 -1.0325E+01 -1.1992E+00 O6 1168 15.999400 -0.847600 3.6403E+00 1.7013E+01 -1.9446E+01 H1 1169 1.008000 0.423800 3.1681E+00 1.6404E+01 -1.8808E+01 H2 1170 1.008000 0.423800 4.5293E+00 1.6622E+01 1.9414E+01 O6 1171 15.999400 -0.847600 -1.3557E+01 1.5520E+01 9.5994E+00 H1 1172 1.008000 0.423800 -1.4087E+01 1.4776E+01 1.0007E+01 H2 1173 1.008000 0.423800 -1.2655E+01 1.5562E+01 1.0031E+01 O6 1174 15.999400 -0.847600 7.8627E+00 -6.9786E+00 1.5065E+01 H1 1175 1.008000 0.423800 8.5851E+00 -6.2874E+00 1.5051E+01 H2 1176 1.008000 0.423800 8.2427E+00 -7.8633E+00 1.4795E+01 O6 1177 15.999400 -0.847600 9.9698E+00 -5.3006E+00 1.4697E+01 H1 1178 1.008000 0.423800 1.0285E+01 -4.5771E+00 1.5311E+01 H2 1179 1.008000 0.423800 1.0196E+01 -5.0588E+00 1.3754E+01 O6 1180 15.999400 -0.847600 6.9987E+00 -3.1937E+00 -1.3145E+01 H1 1181 1.008000 0.423800 6.7124E+00 -3.0490E+00 -1.2198E+01 H2 1182 1.008000 0.423800 7.5902E+00 -2.4406E+00 -1.3433E+01 O6 1183 15.999400 -0.847600 -8.7036E+00 -8.1955E+00 8.6834E+00 H1 1184 1.008000 0.423800 -7.7730E+00 -8.2205E+00 9.0485E+00 H2 1185 1.008000 0.423800 -9.2340E+00 -7.5012E+00 9.1698E+00 O6 1186 15.999400 -0.847600 9.6016E+00 2.9718E+00 -4.5546E+00 H1 1187 1.008000 0.423800 9.4876E+00 3.1726E+00 -5.5276E+00 H2 1188 1.008000 0.423800 9.2317E+00 3.7267E+00 -4.0130E+00 O6 1189 15.999400 -0.847600 6.2817E+00 -7.5652E+00 -6.8075E+00 H1 1190 1.008000 0.423800 5.5618E+00 -8.1598E+00 -6.4494E+00 H2 1191 1.008000 0.423800 6.5319E+00 -7.8626E+00 -7.7289E+00 O6 1192 15.999400 -0.847600 -4.3329E+00 1.4688E+01 9.4546E-04 H1 1193 1.008000 0.423800 -4.9758E+00 1.5440E+01 1.4528E-01 H2 1194 1.008000 0.423800 -3.5880E+00 1.4995E+01 -5.9123E-01 O6 1195 15.999400 -0.847600 -1.7764E+01 3.3164E+00 -1.6283E+01 H1 1196 1.008000 0.423800 -1.8618E+01 3.0037E+00 -1.5867E+01 H2 1197 1.008000 0.423800 -1.7954E+01 3.6928E+00 -1.7190E+01 O6 1198 15.999400 -0.847600 3.9663E+00 -7.1428E+00 7.2264E-01 H1 1199 1.008000 0.423800 4.5979E+00 -6.4800E+00 1.1248E+00 H2 1200 1.008000 0.423800 3.5800E+00 -7.7160E+00 1.4453E+00 O6 1201 15.999400 -0.847600 1.6592E+01 4.7457E+00 -1.8344E+00 H1 1202 1.008000 0.423800 1.6564E+01 5.0246E+00 -2.7943E+00 H2 1203 1.008000 0.423800 1.7028E+01 5.4629E+00 -1.2913E+00 O6 1204 15.999400 -0.847600 -3.5666E+00 7.2159E+00 4.3524E+00 H1 1205 1.008000 0.423800 -3.2565E+00 6.3253E+00 4.0198E+00 H2 1206 1.008000 0.423800 -4.5353E+00 7.3342E+00 4.1343E+00 O6 1207 15.999400 -0.847600 -1.6195E+01 -3.5861E+00 2.8433E+00 H1 1208 1.008000 0.423800 -1.5825E+01 -2.8729E+00 2.2480E+00 H2 1209 1.008000 0.423800 -1.7148E+01 -3.7635E+00 2.5981E+00 O6 1210 15.999400 -0.847600 -1.5194E+01 -1.9872E+00 1.2536E+01 H1 1211 1.008000 0.423800 -1.5300E+01 -2.7669E+00 1.1919E+01 H2 1212 1.008000 0.423800 -1.5289E+01 -1.1370E+00 1.2018E+01 O6 1213 15.999400 -0.847600 1.8695E+01 5.7486E+00 -1.5375E+01 H1 1214 1.008000 0.423800 1.9309E+01 5.9819E+00 -1.6129E+01 H2 1215 1.008000 0.423800 1.8751E+01 6.4539E+00 -1.4668E+01 O6 1216 15.999400 -0.847600 5.1331E+00 1.4385E+01 4.8114E+00 H1 1217 1.008000 0.423800 4.5264E+00 1.4571E+01 4.0387E+00 H2 1218 1.008000 0.423800 5.1037E+00 1.3410E+01 5.0303E+00 O6 1219 15.999400 -0.847600 1.7918E+01 -8.5241E+00 -1.9066E+01 H1 1220 1.008000 0.423800 1.7043E+01 -8.6552E+00 -1.9532E+01 H2 1221 1.008000 0.423800 1.7769E+01 -8.4985E+00 -1.8078E+01 O6 1222 15.999400 -0.847600 1.0585E+01 -5.7109E-01 -1.5063E+00 H1 1223 1.008000 0.423800 1.0442E+01 -1.1491E+00 -7.0296E-01 H2 1224 1.008000 0.423800 1.1081E+01 2.5508E-01 -1.2380E+00 O6 1225 15.999400 -0.847600 -1.1774E+01 8.9818E+00 1.6778E+01 H1 1226 1.008000 0.423800 -1.0957E+01 8.6118E+00 1.6336E+01 H2 1227 1.008000 0.423800 -1.2284E+01 8.2388E+00 1.7212E+01 O6 1228 15.999400 -0.847600 9.3482E-01 -5.6433E+00 -9.0963E+00 H1 1229 1.008000 0.423800 8.5810E-01 -4.7712E+00 -8.6131E+00 H2 1230 1.008000 0.423800 3.0238E-02 -5.9305E+00 -9.4113E+00 O6 1231 15.999400 -0.847600 -5.0231E+00 -1.1888E+01 -8.9902E+00 H1 1232 1.008000 0.423800 -4.3011E+00 -1.2347E+01 -9.5077E+00 H2 1233 1.008000 0.423800 -5.5007E+00 -1.1242E+01 -9.5857E+00 O6 1234 15.999400 -0.847600 -3.6718E+00 1.5295E+01 -9.6240E+00 H1 1235 1.008000 0.423800 -3.9895E+00 1.6067E+01 -1.0175E+01 H2 1236 1.008000 0.423800 -3.1130E+00 1.4689E+01 -1.0190E+01 O6 1237 15.999400 -0.847600 -1.3291E+01 1.5768E+01 1.7973E+01 H1 1238 1.008000 0.423800 -1.2681E+01 1.6559E+01 1.7937E+01 H2 1239 1.008000 0.423800 -1.2892E+01 1.5015E+01 1.7449E+01 O6 1240 15.999400 -0.847600 -1.9526E+01 -1.2529E+01 2.3666E+00 H1 1241 1.008000 0.423800 -1.8848E+01 -1.2722E+01 1.6576E+00 H2 1242 1.008000 0.423800 -1.9089E+01 -1.2045E+01 3.1240E+00 O6 1243 15.999400 -0.847600 -1.8298E+01 1.2763E+01 -1.0690E+01 H1 1244 1.008000 0.423800 -1.9244E+01 1.2496E+01 -1.0504E+01 H2 1245 1.008000 0.423800 -1.7930E+01 1.2194E+01 -1.1425E+01 O6 1246 15.999400 -0.847600 7.4468E+00 1.2262E+01 1.6203E+01 H1 1247 1.008000 0.423800 7.9663E+00 1.1697E+01 1.6843E+01 H2 1248 1.008000 0.423800 7.1241E+00 1.1696E+01 1.5444E+01 O6 1249 15.999400 -0.847600 -1.2655E+00 -7.0899E+00 1.4734E+01 H1 1250 1.008000 0.423800 -1.6685E+00 -7.1578E+00 1.3822E+01 H2 1251 1.008000 0.423800 -8.5577E-01 -7.9673E+00 1.4984E+01 O6 1252 15.999400 -0.847600 -1.0102E+01 1.2502E+01 -1.6289E+01 H1 1253 1.008000 0.423800 -9.2474E+00 1.2290E+01 -1.5816E+01 H2 1254 1.008000 0.423800 -9.8991E+00 1.2837E+01 -1.7209E+01 O6 1255 15.999400 -0.847600 -7.5169E+00 2.4912E+00 2.9605E+00 H1 1256 1.008000 0.423800 -6.6694E+00 1.9686E+00 2.8676E+00 H2 1257 1.008000 0.423800 -8.0595E+00 2.3975E+00 2.1258E+00 O6 1258 15.999400 -0.847600 -3.6072E-01 -4.6587E+00 4.1702E+00 H1 1259 1.008000 0.423800 -6.2921E-02 -5.3954E+00 4.7775E+00 H2 1260 1.008000 0.423800 -1.1766E+00 -4.2229E+00 4.5503E+00 O6 1261 15.999400 -0.847600 -1.8226E+01 1.2074E+01 1.7973E+01 H1 1262 1.008000 0.423800 -1.7938E+01 1.2859E+01 1.8521E+01 H2 1263 1.008000 0.423800 -1.7493E+01 1.1821E+01 1.7341E+01 O6 1264 15.999400 -0.847600 1.4529E+01 2.3688E-01 -4.8845E+00 H1 1265 1.008000 0.423800 1.3656E+01 4.4457E-01 -5.3261E+00 H2 1266 1.008000 0.423800 1.4511E+01 5.6557E-01 -3.9403E+00 O6 1267 15.999400 -0.847600 -1.9183E+01 1.8845E+01 7.9543E+00 H1 1268 1.008000 0.423800 -1.8812E+01 1.8731E+01 7.0328E+00 H2 1269 1.008000 0.423800 -1.8635E+01 1.8315E+01 8.6020E+00 O6 1270 15.999400 -0.847600 -1.1861E+01 -1.6416E+01 1.8425E+01 H1 1271 1.008000 0.423800 -1.1496E+01 -1.6392E+01 1.7494E+01 H2 1272 1.008000 0.423800 -1.2846E+01 -1.6248E+01 1.8401E+01 O6 1273 15.999400 -0.847600 -8.3125E+00 5.8827E+00 1.5030E+01 H1 1274 1.008000 0.423800 -8.7726E+00 5.5538E+00 1.4205E+01 H2 1275 1.008000 0.423800 -7.5436E+00 5.2808E+00 1.5245E+01 O6 1276 15.999400 -0.847600 9.1066E+00 2.3949E+00 -1.8804E+01 H1 1277 1.008000 0.423800 9.8447E+00 2.1366E+00 -1.8181E+01 H2 1278 1.008000 0.423800 8.7183E+00 1.5724E+00 -1.9220E+01 O6 1279 15.999400 -0.847600 1.7807E+01 1.3748E+01 -4.0240E+00 H1 1280 1.008000 0.423800 1.8179E+01 1.3686E+01 -4.9505E+00 H2 1281 1.008000 0.423800 1.7182E+01 1.4526E+01 -3.9666E+00 O6 1282 15.999400 -0.847600 -9.0446E+00 -1.3396E+01 -1.5279E+01 H1 1283 1.008000 0.423800 -9.5577E+00 -1.3068E+01 -1.4486E+01 H2 1284 1.008000 0.423800 -9.3367E+00 -1.2898E+01 -1.6095E+01 O6 1285 15.999400 -0.847600 -1.8821E+01 3.5527E+00 -1.0335E+01 H1 1286 1.008000 0.423800 1.9530E+01 3.7950E+00 -9.7161E+00 H2 1287 1.008000 0.423800 -1.9060E+01 2.7224E+00 -1.0838E+01 O6 1288 15.999400 -0.847600 -1.1401E+01 -5.7157E+00 -5.3636E+00 H1 1289 1.008000 0.423800 -1.1882E+01 -6.4313E+00 -4.8573E+00 H2 1290 1.008000 0.423800 -1.0996E+01 -5.0667E+00 -4.7195E+00 O6 1291 15.999400 -0.847600 -1.6049E+00 1.2513E+01 -1.0807E+01 H1 1292 1.008000 0.423800 -2.5333E+00 1.2648E+01 -1.1154E+01 H2 1293 1.008000 0.423800 -1.3831E+00 1.1538E+01 -1.0821E+01 O6 1294 15.999400 -0.847600 7.7792E+00 1.5185E+01 -1.8200E+01 H1 1295 1.008000 0.423800 7.1221E+00 1.5658E+01 -1.8787E+01 H2 1296 1.008000 0.423800 7.3984E+00 1.4305E+01 -1.7915E+01 O6 1297 15.999400 -0.847600 -8.8145E+00 1.7043E+01 1.0827E+01 H1 1298 1.008000 0.423800 -8.0446E+00 1.6413E+01 1.0725E+01 H2 1299 1.008000 0.423800 -8.5226E+00 1.7844E+01 1.1350E+01 O6 1300 15.999400 -0.847600 -4.8626E+00 -1.6573E+01 -7.7117E+00 H1 1301 1.008000 0.423800 -5.0585E+00 -1.6571E+01 -8.6924E+00 H2 1302 1.008000 0.423800 -4.4121E+00 -1.7431E+01 -7.4639E+00 O6 1303 15.999400 -0.847600 4.1891E+00 -2.8001E+00 -3.6959E+00 H1 1304 1.008000 0.423800 4.7361E+00 -2.3322E+00 -4.3900E+00 H2 1305 1.008000 0.423800 3.5769E+00 -3.4547E+00 -4.1394E+00 O6 1306 15.999400 -0.847600 1.7739E+01 -1.1096E+01 1.4038E+01 H1 1307 1.008000 0.423800 1.8694E+01 -1.1315E+01 1.4238E+01 H2 1308 1.008000 0.423800 1.7445E+01 -1.1601E+01 1.3226E+01 O6 1309 15.999400 -0.847600 8.1013E+00 1.8847E+01 -1.6683E+01 H1 1310 1.008000 0.423800 8.5648E+00 -1.9508E+01 -1.7166E+01 H2 1311 1.008000 0.423800 8.6036E+00 1.7993E+01 -1.6823E+01 O6 1312 15.999400 -0.847600 1.8781E+00 -1.4273E+00 1.2227E+01 H1 1313 1.008000 0.423800 1.9044E+00 -4.3039E-01 1.2301E+01 H2 1314 1.008000 0.423800 1.5024E+00 -1.8140E+00 1.3070E+01 O6 1315 15.999400 -0.847600 1.4380E+01 -1.2051E+01 1.3471E+01 H1 1316 1.008000 0.423800 1.5324E+01 -1.1794E+01 1.3676E+01 H2 1317 1.008000 0.423800 1.4138E+01 -1.2871E+01 1.3989E+01 O6 1318 15.999400 -0.847600 -9.9438E+00 1.0282E+01 1.4004E+01 H1 1319 1.008000 0.423800 -1.0881E+01 1.0448E+01 1.4310E+01 H2 1320 1.008000 0.423800 -9.6475E+00 9.3786E+00 1.4313E+01 O6 1321 15.999400 -0.847600 -3.3649E+00 -2.1901E-01 1.9175E+01 H1 1322 1.008000 0.423800 -4.1865E+00 1.0981E-01 -1.9457E+01 H2 1323 1.008000 0.423800 -3.2089E+00 3.2503E-01 1.8351E+01 O6 1324 15.999400 -0.847600 -2.0918E+00 1.3820E+01 -3.4038E+00 H1 1325 1.008000 0.423800 -2.2366E+00 1.4449E+01 -2.6398E+00 H2 1326 1.008000 0.423800 -2.6574E+00 1.4101E+01 -4.1789E+00 O6 1327 15.999400 -0.847600 -6.5170E+00 -1.5838E+00 1.8649E+01 H1 1328 1.008000 0.423800 -6.1312E+00 -2.2104E+00 1.9327E+01 H2 1329 1.008000 0.423800 -7.5102E+00 -1.5452E+00 1.8759E+01 O6 1330 15.999400 -0.847600 1.1696E+01 -1.3249E+01 9.4500E+00 H1 1331 1.008000 0.423800 1.1464E+01 -1.4157E+01 9.1009E+00 H2 1332 1.008000 0.423800 1.1289E+01 -1.2551E+01 8.8605E+00 O6 1333 15.999400 -0.847600 2.1517E+00 1.7598E+01 -8.4923E+00 H1 1334 1.008000 0.423800 2.6594E+00 1.7865E+01 -9.3114E+00 H2 1335 1.008000 0.423800 1.1894E+00 1.7460E+01 -8.7268E+00 O6 1336 15.999400 -0.847600 -1.8411E+01 -1.4178E+01 -5.9445E+00 H1 1337 1.008000 0.423800 -1.7817E+01 -1.3916E+01 -5.1845E+00 H2 1338 1.008000 0.423800 -1.9274E+01 -1.3677E+01 -5.8810E+00 O6 1339 15.999400 -0.847600 -1.6897E+01 9.9851E+00 5.8346E+00 H1 1340 1.008000 0.423800 -1.6146E+01 9.9195E+00 5.1779E+00 H2 1341 1.008000 0.423800 -1.7470E+01 9.1678E+00 5.7687E+00 O6 1342 15.999400 -0.847600 -4.7519E+00 3.2056E+00 -1.7658E+01 H1 1343 1.008000 0.423800 -3.8195E+00 3.0732E+00 -1.7994E+01 H2 1344 1.008000 0.423800 -5.2404E+00 2.3333E+00 -1.7678E+01 O6 1345 15.999400 -0.847600 -1.3029E+01 -1.2955E+01 3.0622E+00 H1 1346 1.008000 0.423800 -1.2516E+01 -1.3767E+01 3.3435E+00 H2 1347 1.008000 0.423800 -1.3903E+01 -1.3235E+01 2.6648E+00 O6 1348 15.999400 -0.847600 1.0597E+01 -1.4839E+01 1.7729E+01 H1 1349 1.008000 0.423800 1.0902E+01 -1.4779E+01 1.6779E+01 H2 1350 1.008000 0.423800 9.6057E+00 -1.4712E+01 1.7770E+01 O6 1351 15.999400 -0.847600 1.2177E+01 8.0044E+00 -1.5833E+01 H1 1352 1.008000 0.423800 1.2230E+01 8.9693E+00 -1.6090E+01 H2 1353 1.008000 0.423800 1.1276E+01 7.8111E+00 -1.5446E+01 O6 1354 15.999400 -0.847600 -5.9730E+00 2.9961E-01 1.5787E-01 H1 1355 1.008000 0.423800 -6.7236E+00 -3.4301E-01 3.7946E-03 H2 1356 1.008000 0.423800 -6.2156E+00 1.1925E+00 -2.2153E-01 O6 1357 15.999400 -0.847600 5.9922E+00 8.9881E-01 1.5430E+01 H1 1358 1.008000 0.423800 5.0276E+00 7.3161E-01 1.5226E+01 H2 1359 1.008000 0.423800 6.5536E+00 2.0701E-01 1.4976E+01 O6 1360 15.999400 -0.847600 -1.6696E+01 6.9924E-01 -1.6975E+01 H1 1361 1.008000 0.423800 -1.6785E+01 1.5940E+00 -1.6538E+01 H2 1362 1.008000 0.423800 -1.5766E+01 5.9183E-01 -1.7328E+01 O6 1363 15.999400 -0.847600 -1.1762E+01 -6.8253E+00 1.0775E+00 H1 1364 1.008000 0.423800 -1.2524E+01 -6.6245E+00 4.6226E-01 H2 1365 1.008000 0.423800 -1.1484E+01 -5.9881E+00 1.5487E+00 O6 1366 15.999400 -0.847600 5.9949E+00 -1.5379E+01 1.3330E+01 H1 1367 1.008000 0.423800 6.3633E+00 -1.5938E+01 1.2587E+01 H2 1368 1.008000 0.423800 5.2374E+00 -1.4824E+01 1.2986E+01 O6 1369 15.999400 -0.847600 -3.0564E+00 1.6279E+00 -7.6451E+00 H1 1370 1.008000 0.423800 -2.6193E+00 1.6503E+00 -8.5443E+00 H2 1371 1.008000 0.423800 -2.5716E+00 9.8257E-01 -7.0549E+00 O6 1372 15.999400 -0.847600 9.1350E-01 -1.1229E+01 1.3491E+00 H1 1373 1.008000 0.423800 1.8090E+00 -1.0969E+01 1.7099E+00 H2 1374 1.008000 0.423800 4.2642E-01 -1.0411E+01 1.0435E+00 O6 1375 15.999400 -0.847600 -1.5031E+01 -1.5700E+01 9.3981E+00 H1 1376 1.008000 0.423800 -1.4500E+01 -1.6521E+01 9.1882E+00 H2 1377 1.008000 0.423800 -1.6007E+01 -1.5916E+01 9.3613E+00 O6 1378 15.999400 -0.847600 1.6847E+01 -5.9964E+00 1.3501E+01 H1 1379 1.008000 0.423800 1.7550E+01 -6.4861E+00 1.2986E+01 H2 1380 1.008000 0.423800 1.7253E+01 -5.6013E+00 1.4325E+01 O6 1381 15.999400 -0.847600 1.6655E+01 1.2005E+01 -7.2935E+00 H1 1382 1.008000 0.423800 1.5684E+01 1.2158E+01 -7.1072E+00 H2 1383 1.008000 0.423800 1.6851E+01 1.1025E+01 -7.2554E+00 O6 1384 15.999400 -0.847600 -1.5854E+01 9.1684E+00 -3.1260E+00 H1 1385 1.008000 0.423800 -1.5409E+01 9.0501E+00 -4.0133E+00 H2 1386 1.008000 0.423800 -1.6114E+01 1.0127E+01 -3.0085E+00 O6 1387 15.999400 -0.847600 1.8111E+01 -9.6841E+00 -9.2815E+00 H1 1388 1.008000 0.423800 1.7230E+01 -9.2792E+00 -9.5268E+00 H2 1389 1.008000 0.423800 1.8203E+01 -9.7045E+00 -8.2860E+00 O6 1390 15.999400 -0.847600 -1.6164E+01 1.9407E+01 -5.5257E+00 H1 1391 1.008000 0.423800 -1.5711E+01 1.9304E+01 -6.4112E+00 H2 1392 1.008000 0.423800 -1.5518E+01 -1.9312E+01 -4.8630E+00 O6 1393 15.999400 -0.847600 1.2970E+01 1.4583E+01 -1.0753E+01 H1 1394 1.008000 0.423800 1.3882E+01 1.4715E+01 -1.0366E+01 H2 1395 1.008000 0.423800 1.2943E+01 1.3718E+01 -1.1255E+01 O6 1396 15.999400 -0.847600 -4.1368E+00 1.0961E+01 -3.7703E-01 H1 1397 1.008000 0.423800 -3.4063E+00 1.0334E+01 -1.0613E-01 H2 1398 1.008000 0.423800 -4.6984E+00 1.1182E+01 4.2016E-01 O6 1399 15.999400 -0.847600 -1.7155E+00 -1.8859E+01 -3.8170E+00 H1 1400 1.008000 0.423800 -2.1827E+00 -1.8579E+01 -4.6559E+00 H2 1401 1.008000 0.423800 -7.2734E-01 -1.8859E+01 -3.9704E+00 O6 1402 15.999400 -0.847600 5.8850E+00 -8.6076E+00 4.4737E+00 H1 1403 1.008000 0.423800 6.3754E+00 -9.4749E+00 4.5598E+00 H2 1404 1.008000 0.423800 6.3444E+00 -8.0306E+00 3.7985E+00 O6 1405 15.999400 -0.847600 1.2033E+01 7.6259E+00 -1.1562E+01 H1 1406 1.008000 0.423800 1.2802E+01 7.9361E+00 -1.1003E+01 H2 1407 1.008000 0.423800 1.1763E+01 6.7064E+00 -1.1277E+01 O6 1408 15.999400 -0.847600 -6.3519E+00 1.6157E+01 8.1262E+00 H1 1409 1.008000 0.423800 -6.5841E+00 1.5504E+01 8.8472E+00 H2 1410 1.008000 0.423800 -6.4972E+00 1.5732E+01 7.2326E+00 O6 1411 15.999400 -0.847600 -9.8831E+00 6.7978E+00 -1.3068E+01 H1 1412 1.008000 0.423800 -1.0621E+01 6.6089E+00 -1.3716E+01 H2 1413 1.008000 0.423800 -9.6535E+00 7.7706E+00 -1.3098E+01 O6 1414 15.999400 -0.847600 1.5495E+01 -3.9974E+00 -1.7974E+01 H1 1415 1.008000 0.423800 1.5423E+01 -4.6591E+00 -1.8720E+01 H2 1416 1.008000 0.423800 1.6404E+01 -4.0590E+00 -1.7561E+01 O6 1417 15.999400 -0.847600 -1.1565E+01 8.6197E-02 1.4184E+01 H1 1418 1.008000 0.423800 -1.0602E+01 -4.6418E-02 1.3948E+01 H2 1419 1.008000 0.423800 -1.2046E+01 -7.8878E-01 1.4126E+01 O6 1420 15.999400 -0.847600 -1.6592E+01 1.1504E+01 -4.3185E+00 H1 1421 1.008000 0.423800 -1.6961E+01 1.2243E+01 -3.7545E+00 H2 1422 1.008000 0.423800 -1.5835E+01 1.1853E+01 -4.8716E+00 O6 1423 15.999400 -0.847600 -4.0632E-01 1.6901E+01 5.9070E+00 H1 1424 1.008000 0.423800 -2.7376E-01 1.7348E+01 6.7918E+00 H2 1425 1.008000 0.423800 4.6688E-01 1.6537E+01 5.5836E+00 O6 1426 15.999400 -0.847600 -8.7144E+00 -9.2061E+00 3.2108E+00 H1 1427 1.008000 0.423800 -9.3858E+00 -9.7580E+00 2.7162E+00 H2 1428 1.008000 0.423800 -8.3493E+00 -8.5012E+00 2.6026E+00 O6 1429 15.999400 -0.847600 1.4192E+00 -6.6555E+00 1.3558E+01 H1 1430 1.008000 0.423800 6.4258E-01 -6.7902E+00 1.4173E+01 H2 1431 1.008000 0.423800 2.1742E+00 -6.2351E+00 1.4061E+01 O6 1432 15.999400 -0.847600 -1.4778E+00 -1.5824E+00 1.5647E+01 H1 1433 1.008000 0.423800 -1.3456E+00 -2.0827E+00 1.6503E+01 H2 1434 1.008000 0.423800 -9.2257E-01 -7.5077E-01 1.5658E+01 O6 1435 15.999400 -0.847600 -1.7380E+01 3.9635E+00 7.8934E+00 H1 1436 1.008000 0.423800 -1.7651E+01 3.0284E+00 7.6653E+00 H2 1437 1.008000 0.423800 -1.6391E+01 4.0621E+00 7.7752E+00 O6 1438 15.999400 -0.847600 -1.0024E+01 1.9996E+00 1.6821E+01 H1 1439 1.008000 0.423800 -9.8235E+00 2.9792E+00 1.6803E+01 H2 1440 1.008000 0.423800 -1.0946E+01 1.8549E+00 1.7180E+01 O6 1441 15.999400 -0.847600 -1.2746E+01 1.5211E+01 -4.1314E+00 H1 1442 1.008000 0.423800 -1.3172E+01 1.6098E+01 -3.9526E+00 H2 1443 1.008000 0.423800 -1.3313E+01 1.4485E+01 -3.7427E+00 O6 1444 15.999400 -0.847600 6.4027E-01 -1.9032E+00 3.7005E-02 H1 1445 1.008000 0.423800 1.2200E+00 -2.1757E+00 -7.3088E-01 H2 1446 1.008000 0.423800 5.1237E-01 -9.1154E-01 2.2492E-02 O6 1447 15.999400 -0.847600 1.9442E+01 1.1875E+01 -1.3358E+01 H1 1448 1.008000 0.423800 -1.8770E+01 1.1553E+01 -1.3024E+01 H2 1449 1.008000 0.423800 1.9358E+01 1.2856E+01 -1.3187E+01 O6 1450 15.999400 -0.847600 8.9689E+00 -8.1544E+00 -4.0842E+00 H1 1451 1.008000 0.423800 9.7255E+00 -8.8057E+00 -4.0272E+00 H2 1452 1.008000 0.423800 8.8080E+00 -7.9134E+00 -5.0413E+00 O6 1453 15.999400 -0.847600 7.8893E+00 3.3835E+00 -9.8646E+00 H1 1454 1.008000 0.423800 7.2020E+00 4.0944E+00 -9.7150E+00 H2 1455 1.008000 0.423800 8.0766E+00 2.9142E+00 -9.0017E+00 O6 1456 15.999400 -0.847600 1.7722E+01 3.3098E+00 -8.7970E+00 H1 1457 1.008000 0.423800 1.7123E+01 4.0147E+00 -9.1764E+00 H2 1458 1.008000 0.423800 1.7624E+01 3.2893E+00 -7.8020E+00 O6 1459 15.999400 -0.847600 1.0289E+01 1.4923E+01 -4.3109E+00 H1 1460 1.008000 0.423800 1.1102E+01 1.4574E+01 -3.8434E+00 H2 1461 1.008000 0.423800 1.0386E+01 1.5907E+01 -4.4569E+00 O6 1462 15.999400 -0.847600 1.0492E+01 1.7872E+01 1.3647E+01 H1 1463 1.008000 0.423800 1.0281E+01 1.6895E+01 1.3667E+01 H2 1464 1.008000 0.423800 1.0640E+01 1.8200E+01 1.4580E+01 O6 1465 15.999400 -0.847600 -9.6233E+00 -1.0913E+00 2.9895E+00 H1 1466 1.008000 0.423800 -9.5832E+00 -9.7685E-01 1.9969E+00 H2 1467 1.008000 0.423800 -9.3521E+00 -2.0237E+00 3.2287E+00 O6 1468 15.999400 -0.847600 9.8188E+00 4.8594E+00 7.0709E+00 H1 1469 1.008000 0.423800 9.7441E+00 4.3370E+00 6.2214E+00 H2 1470 1.008000 0.423800 1.0421E+01 5.6447E+00 6.9274E+00 O6 1471 15.999400 -0.847600 1.8505E+01 1.7898E+01 1.5868E+00 H1 1472 1.008000 0.423800 1.8077E+01 1.7506E+01 7.7261E-01 H2 1473 1.008000 0.423800 1.8879E+01 1.8798E+01 1.3660E+00 O6 1474 15.999400 -0.847600 1.7447E+01 1.4367E+01 1.8301E+01 H1 1475 1.008000 0.423800 1.6941E+01 1.3524E+01 1.8117E+01 H2 1476 1.008000 0.423800 1.7341E+01 1.4615E+01 1.9264E+01 O6 1477 15.999400 -0.847600 6.8924E+00 1.0641E+01 -8.4299E+00 H1 1478 1.008000 0.423800 7.5775E+00 1.1031E+01 -9.0450E+00 H2 1479 1.008000 0.423800 6.0146E+00 1.0579E+01 -8.9049E+00 O6 1480 15.999400 -0.847600 -9.2303E+00 -9.7893E+00 -2.6054E+00 H1 1481 1.008000 0.423800 -8.5767E+00 -1.0500E+01 -2.3462E+00 H2 1482 1.008000 0.423800 -1.0141E+01 -1.0037E+01 -2.2751E+00 O6 1483 15.999400 -0.847600 5.5415E+00 -1.3512E+01 5.2638E-01 H1 1484 1.008000 0.423800 4.7183E+00 -1.3200E+01 5.1807E-02 H2 1485 1.008000 0.423800 5.6654E+00 -1.4492E+01 3.7018E-01 O6 1486 15.999400 -0.847600 -1.9450E+01 -1.6655E+01 -6.9158E+00 H1 1487 1.008000 0.423800 -1.8884E+01 -1.5847E+01 -6.7506E+00 H2 1488 1.008000 0.423800 1.8723E+01 -1.6490E+01 -6.5706E+00 O6 1489 15.999400 -0.847600 1.5668E+01 -4.5962E+00 -3.0180E+00 H1 1490 1.008000 0.423800 1.5803E+01 -5.1068E+00 -2.1687E+00 H2 1491 1.008000 0.423800 1.4690E+01 -4.5243E+00 -3.2123E+00 O6 1492 15.999400 -0.847600 1.7639E+01 3.0665E+00 -1.8293E+01 H1 1493 1.008000 0.423800 1.6999E+01 2.3069E+00 -1.8412E+01 H2 1494 1.008000 0.423800 1.8290E+01 3.0756E+00 -1.9052E+01 O6 1495 15.999400 -0.847600 -1.6085E+01 -1.4940E+01 -1.5406E+01 H1 1496 1.008000 0.423800 -1.6771E+01 -1.4334E+01 -1.5003E+01 H2 1497 1.008000 0.423800 -1.6430E+01 -1.5879E+01 -1.5407E+01 O6 1498 15.999400 -0.847600 1.6588E+01 2.3130E+00 -8.8990E-01 H1 1499 1.008000 0.423800 1.6652E+01 3.1871E+00 -1.3715E+00 H2 1500 1.008000 0.423800 1.7135E+01 1.6271E+00 -1.3699E+00 O6 1501 15.999400 -0.847600 -1.6745E+01 1.1846E+01 7.9973E+00 H1 1502 1.008000 0.423800 -1.7481E+01 1.2403E+01 8.3825E+00 H2 1503 1.008000 0.423800 -1.7046E+01 1.1449E+01 7.1305E+00 O6 1504 15.999400 -0.847600 -3.3846E+00 -1.1931E+01 -2.9773E+00 H1 1505 1.008000 0.423800 -2.6208E+00 -1.2474E+01 -2.6291E+00 H2 1506 1.008000 0.423800 -3.3511E+00 -1.1911E+01 -3.9765E+00 O6 1507 15.999400 -0.847600 1.5899E+01 -1.3868E+01 -3.5506E+00 H1 1508 1.008000 0.423800 1.6066E+01 -1.4742E+01 -3.0937E+00 H2 1509 1.008000 0.423800 1.6086E+01 -1.3119E+01 -2.9150E+00 O6 1510 15.999400 -0.847600 -1.0217E+01 9.6493E+00 8.1821E+00 H1 1511 1.008000 0.423800 -1.0258E+01 1.0605E+01 7.8901E+00 H2 1512 1.008000 0.423800 -1.0232E+01 9.6053E+00 9.1810E+00 O6 1513 15.999400 -0.847600 1.3336E+01 -9.4912E+00 3.5553E+00 H1 1514 1.008000 0.423800 1.3019E+01 -9.3694E+00 4.4959E+00 H2 1515 1.008000 0.423800 1.3865E+01 -8.6902E+00 3.2755E+00 O6 1516 15.999400 -0.847600 -7.1442E-01 -1.9905E+00 7.4386E+00 H1 1517 1.008000 0.423800 -1.6593E+00 -2.1057E+00 7.1320E+00 H2 1518 1.008000 0.423800 -2.1855E-01 -1.4207E+00 6.7833E+00 O6 1519 15.999400 -0.847600 1.4096E+01 -5.7881E+00 -1.6092E+01 H1 1520 1.008000 0.423800 1.3770E+01 -5.3501E+00 -1.5254E+01 H2 1521 1.008000 0.423800 1.4537E+01 -5.1058E+00 -1.6674E+01 O6 1522 15.999400 -0.847600 -1.7753E+01 -1.2011E+01 -3.6729E+00 H1 1523 1.008000 0.423800 -1.8129E+01 -1.1485E+01 -2.9100E+00 H2 1524 1.008000 0.423800 -1.7033E+01 -1.2618E+01 -3.3364E+00 O6 1525 15.999400 -0.847600 -2.1540E+00 -1.8976E+00 1.3045E+01 H1 1526 1.008000 0.423800 -2.9018E+00 -1.2761E+00 1.2811E+01 H2 1527 1.008000 0.423800 -1.9780E+00 -1.8529E+00 1.4028E+01 O6 1528 15.999400 -0.847600 1.2336E+01 1.2704E+01 7.1442E+00 H1 1529 1.008000 0.423800 1.3292E+01 1.2414E+01 7.1780E+00 H2 1530 1.008000 0.423800 1.2123E+01 1.3243E+01 7.9584E+00 O6 1531 15.999400 -0.847600 4.0099E+00 2.3973E+00 3.2627E+00 H1 1532 1.008000 0.423800 4.6955E+00 2.6239E+00 3.9545E+00 H2 1533 1.008000 0.423800 3.0959E+00 2.5675E+00 3.6310E+00 O6 1534 15.999400 -0.847600 -6.1310E+00 -9.3675E+00 -1.0280E+01 H1 1535 1.008000 0.423800 -5.2647E+00 -9.1469E+00 -1.0728E+01 H2 1536 1.008000 0.423800 -6.5481E+00 -8.5289E+00 -9.9298E+00 O6 1537 15.999400 -0.847600 -1.2111E+01 -1.6153E+01 -1.9749E+00 H1 1538 1.008000 0.423800 -1.1530E+01 -1.6866E+01 -2.3686E+00 H2 1539 1.008000 0.423800 -1.1570E+01 -1.5590E+01 -1.3505E+00 O6 1540 15.999400 -0.847600 7.9905E+00 -1.4528E+01 1.6877E+01 H1 1541 1.008000 0.423800 7.1001E+00 -1.4728E+01 1.6468E+01 H2 1542 1.008000 0.423800 8.2271E+00 -1.3571E+01 1.6709E+01 O6 1543 15.999400 -0.847600 1.0012E+01 1.6469E+01 -1.8120E+01 H1 1544 1.008000 0.423800 1.0373E+01 1.6375E+01 -1.7192E+01 H2 1545 1.008000 0.423800 9.3940E+00 1.5708E+01 -1.8315E+01 O6 1546 15.999400 -0.847600 -1.2770E+00 1.1946E+01 -7.2044E+00 H1 1547 1.008000 0.423800 -2.0925E+00 1.2482E+01 -7.4214E+00 H2 1548 1.008000 0.423800 -1.2387E+00 1.1143E+01 -7.7989E+00 O6 1549 15.999400 -0.847600 -1.9055E+01 4.9626E+00 -4.9920E-01 H1 1550 1.008000 0.423800 -1.9292E+01 4.3684E+00 -1.2677E+00 H2 1551 1.008000 0.423800 -1.8060E+01 5.0402E+00 -4.3336E-01 O6 1552 15.999400 -0.847600 -1.8754E+01 1.6884E+01 -8.2714E+00 H1 1553 1.008000 0.423800 -1.8527E+01 1.7727E+01 -7.7834E+00 H2 1554 1.008000 0.423800 1.9471E+01 1.6529E+01 -7.9355E+00 O6 1555 15.999400 -0.847600 -1.9284E+01 1.4268E+01 1.1925E+01 H1 1556 1.008000 0.423800 -1.8771E+01 1.3606E+01 1.2471E+01 H2 1557 1.008000 0.423800 -1.8659E+01 1.4965E+01 1.1572E+01 O6 1558 15.999400 -0.847600 1.6720E+01 -1.2033E+01 4.2130E+00 H1 1559 1.008000 0.423800 1.6804E+01 -1.2665E+01 3.4421E+00 H2 1560 1.008000 0.423800 1.5836E+01 -1.2170E+01 4.6605E+00 O6 1561 15.999400 -0.847600 1.3997E+01 4.4222E+00 -7.1970E-01 H1 1562 1.008000 0.423800 1.3312E+01 5.0421E+00 -1.1024E+00 H2 1563 1.008000 0.423800 1.4837E+01 4.4804E+00 -1.2587E+00 O6 1564 15.999400 -0.847600 -1.2186E+01 -1.9375E+01 -1.8210E+01 H1 1565 1.008000 0.423800 -1.3000E+01 -1.9039E+01 -1.8684E+01 H2 1566 1.008000 0.423800 -1.1377E+01 -1.9200E+01 -1.8771E+01 O6 1567 15.999400 -0.847600 -2.2524E+00 -1.4230E+01 -1.8368E+01 H1 1568 1.008000 0.423800 -3.2279E+00 -1.4113E+01 -1.8181E+01 H2 1569 1.008000 0.423800 -1.9525E+00 -1.5122E+01 -1.8031E+01 O6 1570 15.999400 -0.847600 -1.4078E+01 -5.9533E+00 -1.2570E+01 H1 1571 1.008000 0.423800 -1.4987E+01 -6.3683E+00 -1.2536E+01 H2 1572 1.008000 0.423800 -1.3391E+01 -6.6667E+00 -1.2708E+01 O6 1573 15.999400 -0.847600 -7.7833E+00 -6.7781E+00 1.8492E+01 H1 1574 1.008000 0.423800 -7.6765E+00 -6.8801E+00 1.9481E+01 H2 1575 1.008000 0.423800 -6.9833E+00 -7.1601E+00 1.8029E+01 O6 1576 15.999400 -0.847600 -5.5978E+00 -8.1298E+00 1.7767E+01 H1 1577 1.008000 0.423800 -5.7195E+00 -9.1177E+00 1.7671E+01 H2 1578 1.008000 0.423800 -5.4323E+00 -7.7257E+00 1.6867E+01 O6 1579 15.999400 -0.847600 -1.5168E+01 -3.9942E+00 5.7383E+00 H1 1580 1.008000 0.423800 -1.5703E+01 -3.9737E+00 4.8936E+00 H2 1581 1.008000 0.423800 -1.4505E+01 -3.2455E+00 5.7313E+00 O6 1582 15.999400 -0.847600 -6.1580E+00 -8.3355E+00 9.9462E+00 H1 1583 1.008000 0.423800 -6.2190E+00 -9.3214E+00 9.7904E+00 H2 1584 1.008000 0.423800 -5.6051E+00 -8.1605E+00 1.0761E+01 O6 1585 15.999400 -0.847600 -3.3181E-01 -1.8398E+01 -1.0775E+01 H1 1586 1.008000 0.423800 -1.0555E+00 -1.7923E+01 -1.1276E+01 H2 1587 1.008000 0.423800 4.4924E-01 -1.8549E+01 -1.1381E+01 O6 1588 15.999400 -0.847600 1.2205E+01 1.8399E+01 9.1714E+00 H1 1589 1.008000 0.423800 1.2208E+01 1.8142E+01 1.0138E+01 H2 1590 1.008000 0.423800 1.2352E+01 1.7586E+01 8.6089E+00 O6 1591 15.999400 -0.847600 -4.5847E+00 1.9179E+01 -7.9784E+00 H1 1592 1.008000 0.423800 -5.4289E+00 1.9523E+01 -8.3893E+00 H2 1593 1.008000 0.423800 -3.9984E+00 1.8796E+01 -8.6924E+00 O6 1594 15.999400 -0.847600 5.5858E+00 4.6043E+00 -1.7628E+01 H1 1595 1.008000 0.423800 4.7497E+00 4.9640E+00 -1.7214E+01 H2 1596 1.008000 0.423800 5.4064E+00 3.6959E+00 -1.8006E+01 O6 1597 15.999400 -0.847600 1.6185E+01 1.9240E+00 1.2910E+01 H1 1598 1.008000 0.423800 1.6689E+01 1.6487E+00 1.3729E+01 H2 1599 1.008000 0.423800 1.5207E+01 1.9562E+00 1.3115E+01 O6 1600 15.999400 -0.847600 1.7809E+01 1.6428E-01 -1.1969E+01 H1 1601 1.008000 0.423800 1.8709E+01 5.8831E-01 -1.2068E+01 H2 1602 1.008000 0.423800 1.7531E+01 1.9228E-01 -1.1009E+01 O6 1603 15.999400 -0.847600 -9.5364E+00 -1.1029E+01 1.2366E+00 H1 1604 1.008000 0.423800 -1.0368E+01 -1.0509E+01 1.0419E+00 H2 1605 1.008000 0.423800 -9.6486E+00 -1.1969E+01 9.1561E-01 O6 1606 15.999400 -0.847600 5.4251E-01 1.4596E+01 7.8566E+00 H1 1607 1.008000 0.423800 1.2308E+00 1.5174E+01 8.2951E+00 H2 1608 1.008000 0.423800 8.7014E-01 1.4313E+01 6.9551E+00 O6 1609 15.999400 -0.847600 -1.5459E-02 8.2254E+00 1.7174E+01 H1 1610 1.008000 0.423800 7.4539E-01 7.7972E+00 1.6686E+01 H2 1611 1.008000 0.423800 -2.7806E-01 7.6528E+00 1.7950E+01 O6 1612 15.999400 -0.847600 -3.7497E+00 -4.4578E+00 1.5620E+00 H1 1613 1.008000 0.423800 -2.9933E+00 -3.8228E+00 1.7190E+00 H2 1614 1.008000 0.423800 -4.0964E+00 -4.3396E+00 6.3148E-01 O6 1615 15.999400 -0.847600 8.5176E+00 1.1652E+01 -1.0399E+01 H1 1616 1.008000 0.423800 8.2811E+00 1.2402E+01 -1.1017E+01 H2 1617 1.008000 0.423800 8.8490E+00 1.0874E+01 -1.0932E+01 O6 1618 15.999400 -0.847600 8.1536E+00 -4.5132E+00 -4.3651E+00 H1 1619 1.008000 0.423800 8.8557E+00 -3.8036E+00 -4.4243E+00 H2 1620 1.008000 0.423800 8.2562E+00 -5.1483E+00 -5.1306E+00 O6 1621 15.999400 -0.847600 1.4860E+01 -1.9106E+01 1.4827E+01 H1 1622 1.008000 0.423800 1.4002E+01 -1.8591E+01 1.4828E+01 H2 1623 1.008000 0.423800 1.4685E+01 1.9055E+01 1.4525E+01 O6 1624 15.999400 -0.847600 -2.2464E+00 4.9284E+00 -1.3291E+01 H1 1625 1.008000 0.423800 -2.9987E+00 4.5054E+00 -1.3796E+01 H2 1626 1.008000 0.423800 -2.5763E+00 5.2379E+00 -1.2399E+01 O6 1627 15.999400 -0.847600 -4.8191E+00 3.6236E+00 9.2896E-01 H1 1628 1.008000 0.423800 -4.2041E+00 3.5047E+00 1.7086E+00 H2 1629 1.008000 0.423800 -5.4257E+00 4.4003E+00 1.0984E+00 O6 1630 15.999400 -0.847600 -3.3395E+00 -1.1787E+01 -1.6000E+01 H1 1631 1.008000 0.423800 -3.5522E+00 -1.1213E+01 -1.6791E+01 H2 1632 1.008000 0.423800 -4.0491E+00 -1.2484E+01 -1.5893E+01 O6 1633 15.999400 -0.847600 -1.2331E+01 -4.4645E+00 -1.8672E+01 H1 1634 1.008000 0.423800 -1.2463E+01 -5.1703E+00 -1.9368E+01 H2 1635 1.008000 0.423800 -1.3040E+01 -3.7658E+00 -1.8768E+01 O6 1636 15.999400 -0.847600 -1.0110E+01 -1.7511E+01 -1.3304E+01 H1 1637 1.008000 0.423800 -9.1413E+00 -1.7759E+01 -1.3288E+01 H2 1638 1.008000 0.423800 -1.0323E+01 -1.7055E+01 -1.4169E+01 O6 1639 15.999400 -0.847600 -6.0350E+00 -4.6662E+00 3.2423E+00 H1 1640 1.008000 0.423800 -5.7144E+00 -5.2924E+00 3.9530E+00 H2 1641 1.008000 0.423800 -5.4383E+00 -4.7359E+00 2.4428E+00 O6 1642 15.999400 -0.847600 6.2688E+00 -7.5296E+00 -3.1447E+00 H1 1643 1.008000 0.423800 7.1567E+00 -7.8091E+00 -3.5101E+00 H2 1644 1.008000 0.423800 6.4018E+00 -6.8219E+00 -2.4507E+00 O6 1645 15.999400 -0.847600 2.5600E+00 -1.6477E+01 -1.1797E+01 H1 1646 1.008000 0.423800 2.7169E+00 -1.6321E+01 -1.0822E+01 H2 1647 1.008000 0.423800 3.0272E+00 -1.5769E+01 -1.2327E+01 O6 1648 15.999400 -0.847600 -7.4119E+00 -5.3274E+00 -1.5777E+01 H1 1649 1.008000 0.423800 -6.7717E+00 -6.0652E+00 -1.5563E+01 H2 1650 1.008000 0.423800 -7.5477E+00 -4.7581E+00 -1.4966E+01 O6 1651 15.999400 -0.847600 -2.3441E+00 1.4917E+01 1.5628E+01 H1 1652 1.008000 0.423800 -2.1258E+00 1.5670E+01 1.5007E+01 H2 1653 1.008000 0.423800 -2.5412E+00 1.4093E+01 1.5097E+01 O6 1654 15.999400 -0.847600 -1.6508E+01 -9.4399E+00 1.0071E+01 H1 1655 1.008000 0.423800 -1.6213E+01 -9.9411E+00 9.2573E+00 H2 1656 1.008000 0.423800 -1.6461E+01 -8.4571E+00 9.8919E+00 O6 1657 15.999400 -0.847600 -5.7035E+00 7.0879E-01 -1.5782E+01 H1 1658 1.008000 0.423800 -4.8059E+00 3.4643E-01 -1.5531E+01 H2 1659 1.008000 0.423800 -6.0639E+00 1.9615E-01 -1.6562E+01 O6 1660 15.999400 -0.847600 -1.0968E+01 2.4323E+00 7.9786E+00 H1 1661 1.008000 0.423800 -1.1147E+01 1.5134E+00 8.3301E+00 H2 1662 1.008000 0.423800 -1.1292E+01 2.4973E+00 7.0350E+00 O6 1663 15.999400 -0.847600 -8.0957E+00 1.3246E+01 -1.1023E+00 H1 1664 1.008000 0.423800 -7.2059E+00 1.3438E+01 -1.5163E+00 H2 1665 1.008000 0.423800 -8.6581E+00 1.2727E+01 -1.7465E+00 O6 1666 15.999400 -0.847600 7.9748E+00 4.6305E+00 1.3623E+01 H1 1667 1.008000 0.423800 8.8570E+00 4.5549E+00 1.3158E+01 H2 1668 1.008000 0.423800 7.3201E+00 4.0046E+00 1.3199E+01 O6 1669 15.999400 -0.847600 -8.1127E+00 -1.7079E+01 -6.7893E+00 H1 1670 1.008000 0.423800 -8.9591E+00 -1.7601E+01 -6.6826E+00 H2 1671 1.008000 0.423800 -7.9310E+00 -1.6934E+01 -7.7619E+00 O6 1672 15.999400 -0.847600 -1.0241E-01 -3.0016E+00 1.0182E+01 H1 1673 1.008000 0.423800 -2.2294E-01 -2.7359E+00 9.2254E+00 H2 1674 1.008000 0.423800 7.7197E-01 -2.6511E+00 1.0518E+01 O6 1675 15.999400 -0.847600 1.6754E+00 1.2558E+00 1.2457E+01 H1 1676 1.008000 0.423800 1.1424E+00 1.4621E+00 1.1637E+01 H2 1677 1.008000 0.423800 1.8601E+00 2.1024E+00 1.2956E+01 O6 1678 15.999400 -0.847600 9.4757E+00 7.5234E+00 1.7557E+01 H1 1679 1.008000 0.423800 9.8946E+00 6.7835E+00 1.8083E+01 H2 1680 1.008000 0.423800 8.7612E+00 7.1489E+00 1.6966E+01 O6 1681 15.999400 -0.847600 -1.4930E+00 1.8107E+01 1.2716E+00 H1 1682 1.008000 0.423800 -1.4841E+00 1.7121E+01 1.4397E+00 H2 1683 1.008000 0.423800 -1.1099E+00 1.8294E+01 3.6707E-01 O6 1684 15.999400 -0.847600 1.4845E+01 -2.2094E+00 1.1937E+00 H1 1685 1.008000 0.423800 1.4289E+01 -2.9542E+00 8.2488E-01 H2 1686 1.008000 0.423800 1.5808E+01 -2.4808E+00 1.1940E+00 O6 1687 15.999400 -0.847600 -3.5214E+00 1.0877E+01 7.6132E+00 H1 1688 1.008000 0.423800 -2.8560E+00 1.0130E+01 7.5976E+00 H2 1689 1.008000 0.423800 -3.1323E+00 1.1660E+01 8.0977E+00 O6 1690 15.999400 -0.847600 2.0555E+00 1.2927E+01 -3.8003E+00 H1 1691 1.008000 0.423800 1.4650E+00 1.3107E+01 -3.0137E+00 H2 1692 1.008000 0.423800 1.5543E+00 1.2386E+01 -4.4761E+00 O6 1693 15.999400 -0.847600 8.5295E+00 -6.4039E+00 -6.3117E+00 H1 1694 1.008000 0.423800 7.7142E+00 -6.9592E+00 -6.4762E+00 H2 1695 1.008000 0.423800 9.3146E+00 -6.8207E+00 -6.7698E+00 O6 1696 15.999400 -0.847600 1.4766E+01 1.3998E+01 -4.7007E+00 H1 1697 1.008000 0.423800 1.5489E+01 1.4623E+01 -4.4067E+00 H2 1698 1.008000 0.423800 1.4941E+01 1.3087E+01 -4.3272E+00 O6 1699 15.999400 -0.847600 -1.2968E+01 1.9507E+01 1.6165E+01 H1 1700 1.008000 0.423800 -1.3107E+01 -1.8924E+01 1.5433E+01 H2 1701 1.008000 0.423800 -1.2115E+01 1.9010E+01 1.6006E+01 O6 1702 15.999400 -0.847600 -6.4773E+00 -1.8702E+01 -9.4417E+00 H1 1703 1.008000 0.423800 -6.8832E+00 -1.7788E+01 -9.4031E+00 H2 1704 1.008000 0.423800 -6.6287E+00 -1.9096E+01 -1.0348E+01 O6 1705 15.999400 -0.847600 -1.0373E+01 -3.8882E+00 5.9985E+00 H1 1706 1.008000 0.423800 -9.5219E+00 -4.3028E+00 6.3201E+00 H2 1707 1.008000 0.423800 -1.0944E+01 -4.5888E+00 5.5704E+00 O6 1708 15.999400 -0.847600 1.8810E+01 2.6651E+00 6.8308E-01 H1 1709 1.008000 0.423800 1.9403E+01 3.4399E+00 4.6452E-01 H2 1710 1.008000 0.423800 1.7995E+01 2.6957E+00 1.0436E-01 O6 1711 15.999400 -0.847600 1.6349E+01 1.8447E+01 -2.4366E+00 H1 1712 1.008000 0.423800 1.6910E+01 1.9255E+01 -2.6191E+00 H2 1713 1.008000 0.423800 1.5382E+01 1.8701E+01 -2.4610E+00 O6 1714 15.999400 -0.847600 -1.6513E+01 -1.9256E+01 2.4824E-01 H1 1715 1.008000 0.423800 -1.5591E+01 -1.9261E+01 -1.3921E-01 H2 1716 1.008000 0.423800 -1.6682E+01 1.8974E+01 7.1654E-01 O6 1717 15.999400 -0.847600 -1.6490E+01 -1.2092E+01 -8.4249E+00 H1 1718 1.008000 0.423800 -1.6414E+01 -1.2871E+01 -9.0478E+00 H2 1719 1.008000 0.423800 -1.6227E+01 -1.1255E+01 -8.9040E+00 O6 1720 15.999400 -0.847600 -1.1695E+01 1.4739E+01 1.1506E+00 H1 1721 1.008000 0.423800 -1.1092E+01 1.4295E+01 1.8130E+00 H2 1722 1.008000 0.423800 -1.1652E+01 1.4249E+01 2.7968E-01 O6 1723 15.999400 -0.847600 1.5651E+01 1.8239E+01 -1.5133E+01 H1 1724 1.008000 0.423800 1.5368E+01 1.8083E+01 -1.6079E+01 H2 1725 1.008000 0.423800 1.5475E+01 1.7416E+01 -1.4593E+01 O6 1726 15.999400 -0.847600 -9.6716E+00 -2.5303E+00 1.0997E+01 H1 1727 1.008000 0.423800 -9.3113E+00 -1.6876E+00 1.0597E+01 H2 1728 1.008000 0.423800 -1.0670E+01 -2.5241E+00 1.0944E+01 O6 1729 15.999400 -0.847600 1.4020E+01 1.1494E+01 1.8441E+01 H1 1730 1.008000 0.423800 1.4992E+01 1.1640E+01 1.8255E+01 H2 1731 1.008000 0.423800 1.3910E+01 1.0694E+01 1.9031E+01 O6 1732 15.999400 -0.847600 -9.1930E+00 5.1018E+00 1.2614E+01 H1 1733 1.008000 0.423800 -8.9509E+00 5.6532E+00 1.1816E+01 H2 1734 1.008000 0.423800 -8.8754E+00 4.1632E+00 1.2480E+01 O6 1735 15.999400 -0.847600 -1.6122E+01 1.8167E+00 -4.1373E+00 H1 1736 1.008000 0.423800 -1.5586E+01 1.0947E+00 -3.6993E+00 H2 1737 1.008000 0.423800 -1.5510E+01 2.5469E+00 -4.4422E+00 O6 1738 15.999400 -0.847600 -4.8072E+00 1.4904E+01 -1.3583E+01 H1 1739 1.008000 0.423800 -5.5288E+00 1.5532E+01 -1.3874E+01 H2 1740 1.008000 0.423800 -4.0959E+00 1.4865E+01 -1.4285E+01 O6 1741 15.999400 -0.847600 -2.1728E+00 -1.1116E+01 -1.3678E+01 H1 1742 1.008000 0.423800 -2.6825E+00 -1.1400E+01 -1.4490E+01 H2 1743 1.008000 0.423800 -2.2237E+00 -1.0122E+01 -1.3583E+01 O6 1744 15.999400 -0.847600 -1.6272E+01 -1.3099E+01 1.3893E+01 H1 1745 1.008000 0.423800 -1.6121E+01 -1.3719E+01 1.3124E+01 H2 1746 1.008000 0.423800 -1.6216E+01 -1.3611E+01 1.4750E+01 O6 1747 15.999400 -0.847600 1.3027E+01 1.1850E+01 1.5170E+01 H1 1748 1.008000 0.423800 1.2371E+01 1.1252E+01 1.5632E+01 H2 1749 1.008000 0.423800 1.2740E+01 1.2802E+01 1.5273E+01 O6 1750 15.999400 -0.847600 -5.9882E+00 1.0027E+01 1.1244E+01 H1 1751 1.008000 0.423800 -5.9159E+00 9.6028E+00 1.0341E+01 H2 1752 1.008000 0.423800 -6.1857E+00 9.3246E+00 1.1927E+01 O6 1753 15.999400 -0.847600 1.9392E+01 -8.7356E+00 -1.2564E+01 H1 1754 1.008000 0.423800 -1.9262E+01 -8.7198E+00 -1.1668E+01 H2 1755 1.008000 0.423800 1.8614E+01 -8.1068E+00 -1.2562E+01 O6 1756 15.999400 -0.847600 -1.0212E+01 1.3541E+01 -3.6757E+00 H1 1757 1.008000 0.423800 -9.5534E+00 1.3568E+01 -4.4277E+00 H2 1758 1.008000 0.423800 -1.0837E+01 1.4318E+01 -3.7529E+00 O6 1759 15.999400 -0.847600 -6.0744E+00 1.7258E+01 -2.9011E+00 H1 1760 1.008000 0.423800 -6.5039E+00 1.8053E+01 -3.3287E+00 H2 1761 1.008000 0.423800 -6.1089E+00 1.6481E+01 -3.5308E+00 O6 1762 15.999400 -0.847600 1.3596E+01 -1.5251E+01 1.8496E+01 H1 1763 1.008000 0.423800 1.4217E+01 -1.5110E+01 1.7725E+01 H2 1764 1.008000 0.423800 1.2654E+01 -1.5094E+01 1.8199E+01 O6 1765 15.999400 -0.847600 7.7523E-01 1.0290E+01 1.5529E+01 H1 1766 1.008000 0.423800 1.3265E-01 9.6879E+00 1.6003E+01 H2 1767 1.008000 0.423800 4.4142E-01 1.0473E+01 1.4604E+01 O6 1768 15.999400 -0.847600 1.8480E+01 1.3304E+01 -1.6736E+01 H1 1769 1.008000 0.423800 1.8194E+01 1.2461E+01 -1.6281E+01 H2 1770 1.008000 0.423800 1.9344E+01 1.3147E+01 -1.7214E+01 O6 1771 15.999400 -0.847600 9.1728E+00 -1.3617E+01 -4.4291E+00 H1 1772 1.008000 0.423800 9.6273E+00 -1.3109E+01 -3.6973E+00 H2 1773 1.008000 0.423800 9.7866E+00 -1.4328E+01 -4.7724E+00 O6 1774 15.999400 -0.847600 -7.0718E+00 8.8871E+00 -1.2305E+01 H1 1775 1.008000 0.423800 -6.9846E+00 7.8966E+00 -1.2199E+01 H2 1776 1.008000 0.423800 -6.2449E+00 9.2504E+00 -1.2735E+01 O6 1777 15.999400 -0.847600 -1.0206E+01 -3.4501E+00 -8.9314E+00 H1 1778 1.008000 0.423800 -1.0802E+01 -4.1325E+00 -8.5078E+00 H2 1779 1.008000 0.423800 -1.0419E+01 -3.3804E+00 -9.9059E+00 O6 1780 15.999400 -0.847600 4.3646E+00 1.1000E+01 1.8494E+00 H1 1781 1.008000 0.423800 5.2288E+00 1.1504E+01 1.8595E+00 H2 1782 1.008000 0.423800 4.2892E+00 1.0485E+01 9.9600E-01 O6 1783 15.999400 -0.847600 1.3017E+00 -1.3428E+01 1.1966E+01 H1 1784 1.008000 0.423800 9.3987E-01 -1.4213E+01 1.1464E+01 H2 1785 1.008000 0.423800 2.0463E+00 -1.3013E+01 1.1444E+01 O6 1786 15.999400 -0.847600 -1.8104E+01 7.9497E+00 8.6583E-01 H1 1787 1.008000 0.423800 -1.7845E+01 8.8087E+00 1.3073E+00 H2 1788 1.008000 0.423800 -1.8002E+01 8.0400E+00 -1.2484E-01 O6 1789 15.999400 -0.847600 7.4903E+00 -9.0302E+00 -8.9265E+00 H1 1790 1.008000 0.423800 7.2506E+00 -9.9040E+00 -9.3498E+00 H2 1791 1.008000 0.423800 7.0877E+00 -8.2825E+00 -9.4547E+00 O6 1792 15.999400 -0.847600 -1.5460E+01 1.9517E+01 -8.1867E+00 H1 1793 1.008000 0.423800 -1.6134E+01 1.9471E+01 -8.9242E+00 H2 1794 1.008000 0.423800 -1.4786E+01 1.8788E+01 -8.3056E+00 O6 1795 15.999400 -0.847600 9.1326E+00 -1.2275E+00 -1.3649E+01 H1 1796 1.008000 0.423800 8.7399E+00 -3.4041E-01 -1.3892E+01 H2 1797 1.008000 0.423800 9.6824E+00 -1.1329E+00 -1.2820E+01 O6 1798 15.999400 -0.847600 2.0115E-01 1.5543E-01 9.8665E+00 H1 1799 1.008000 0.423800 -4.9267E-01 -3.7859E-01 1.0350E+01 H2 1800 1.008000 0.423800 -2.2927E-01 6.6392E-01 9.1207E+00 O6 1801 15.999400 -0.847600 1.0805E+00 -1.8637E+01 -4.3009E+00 H1 1802 1.008000 0.423800 1.2663E+00 -1.8215E+01 -5.1883E+00 H2 1803 1.008000 0.423800 1.8331E+00 -1.9249E+01 -4.0589E+00 O6 1804 15.999400 -0.847600 -4.8540E+00 -1.6075E+01 1.1870E+01 H1 1805 1.008000 0.423800 -3.8589E+00 -1.5984E+01 1.1909E+01 H2 1806 1.008000 0.423800 -5.1302E+00 -1.6317E+01 1.0940E+01 O6 1807 15.999400 -0.847600 -9.2393E+00 6.8876E-02 7.0020E+00 H1 1808 1.008000 0.423800 -8.4293E+00 -1.4948E-01 6.4577E+00 H2 1809 1.008000 0.423800 -9.6807E+00 8.8531E-01 6.6298E+00 O6 1810 15.999400 -0.847600 -6.3707E+00 -1.6338E+01 1.8773E+00 H1 1811 1.008000 0.423800 -6.1406E+00 -1.7073E+01 2.5151E+00 H2 1812 1.008000 0.423800 -5.7614E+00 -1.6381E+01 1.0855E+00 O6 1813 15.999400 -0.847600 1.8671E+01 -1.1579E+00 4.8588E+00 H1 1814 1.008000 0.423800 1.8050E+01 -1.8709E+00 5.1862E+00 H2 1815 1.008000 0.423800 1.9343E+01 -9.4968E-01 5.5687E+00 O6 1816 15.999400 -0.847600 4.2800E+00 9.7390E+00 -1.1597E+00 H1 1817 1.008000 0.423800 5.2683E+00 9.7458E+00 -1.0070E+00 H2 1818 1.008000 0.423800 4.0708E+00 1.0224E+01 -2.0090E+00 O6 1819 15.999400 -0.847600 1.7338E+00 -5.6751E+00 -1.6780E+01 H1 1820 1.008000 0.423800 9.0838E-01 -5.2203E+00 -1.6445E+01 H2 1821 1.008000 0.423800 1.4888E+00 -6.5583E+00 -1.7180E+01 O6 1822 15.999400 -0.847600 9.2415E+00 -2.3166E+00 -9.4401E+00 H1 1823 1.008000 0.423800 9.0527E+00 -2.6039E+00 -8.5011E+00 H2 1824 1.008000 0.423800 8.4351E+00 -2.4820E+00 -1.0008E+01 O6 1825 15.999400 -0.847600 1.0248E+00 7.6679E+00 8.0234E+00 H1 1826 1.008000 0.423800 1.2977E+00 8.2763E+00 8.7687E+00 H2 1827 1.008000 0.423800 1.7167E+00 7.6936E+00 7.3019E+00 O6 1828 15.999400 -0.847600 -3.6875E+00 6.2513E+00 6.9602E+00 H1 1829 1.008000 0.423800 -3.7944E+00 6.7982E+00 6.1299E+00 H2 1830 1.008000 0.423800 -2.7919E+00 6.4333E+00 7.3661E+00 O6 1831 15.999400 -0.847600 1.5396E+01 9.1355E+00 1.5722E+01 H1 1832 1.008000 0.423800 1.5044E+01 9.2924E+00 1.4799E+01 H2 1833 1.008000 0.423800 1.6209E+01 8.5543E+00 1.5674E+01 O6 1834 15.999400 -0.847600 -2.1880E+00 1.5609E+01 -1.3305E+00 H1 1835 1.008000 0.423800 -1.4052E+00 1.6074E+01 -9.1649E-01 H2 1836 1.008000 0.423800 -2.5979E+00 1.6201E+01 -2.0246E+00 O6 1837 15.999400 -0.847600 -1.7616E+01 -1.9260E+01 -1.0609E+01 H1 1838 1.008000 0.423800 -1.8330E+01 -1.8667E+01 -1.0235E+01 H2 1839 1.008000 0.423800 -1.7229E+01 -1.8839E+01 -1.1430E+01 O6 1840 15.999400 -0.847600 -1.7028E+01 1.2544E+01 1.1721E+00 H1 1841 1.008000 0.423800 -1.6057E+01 1.2607E+01 9.4452E-01 H2 1842 1.008000 0.423800 -1.7414E+01 1.3463E+01 1.2455E+00 O6 1843 15.999400 -0.847600 8.9507E+00 1.1609E+01 1.2590E+01 H1 1844 1.008000 0.423800 8.0790E+00 1.1240E+01 1.2912E+01 H2 1845 1.008000 0.423800 9.7032E+00 1.1103E+01 1.3012E+01 O6 1846 15.999400 -0.847600 1.8875E+01 8.2086E+00 -1.3735E+01 H1 1847 1.008000 0.423800 1.8045E+01 8.6767E+00 -1.4038E+01 H2 1848 1.008000 0.423800 1.8933E+01 8.2452E+00 -1.2737E+01 O6 1849 15.999400 -0.847600 -1.0345E+01 2.5423E+00 -1.7552E+01 H1 1850 1.008000 0.423800 -1.0837E+01 2.4697E+00 -1.6684E+01 H2 1851 1.008000 0.423800 -1.0877E+01 3.0972E+00 -1.8191E+01 O6 1852 15.999400 -0.847600 -1.7825E+01 9.7895E-01 3.9471E-01 H1 1853 1.008000 0.423800 -1.8624E+01 1.3594E+00 8.6122E-01 H2 1854 1.008000 0.423800 -1.7681E+01 1.4637E+00 -4.6796E-01 O6 1855 15.999400 -0.847600 1.4720E+01 -1.1637E+01 -1.0790E+01 H1 1856 1.008000 0.423800 1.4395E+01 -1.2017E+01 -1.1656E+01 H2 1857 1.008000 0.423800 1.4077E+01 -1.1872E+01 -1.0061E+01 O6 1858 15.999400 -0.847600 -1.2705E+01 -2.4899E+00 1.4912E+00 H1 1859 1.008000 0.423800 -1.2064E+01 -3.2308E+00 1.6928E+00 H2 1860 1.008000 0.423800 -1.2600E+01 -1.7641E+00 2.1710E+00 O6 1861 15.999400 -0.847600 1.8984E+01 -1.4072E+01 1.3504E+01 H1 1862 1.008000 0.423800 1.9417E+01 -1.4036E+01 1.2604E+01 H2 1863 1.008000 0.423800 1.9494E+01 -1.3496E+01 1.4143E+01 O6 1864 15.999400 -0.847600 -5.4282E+00 -1.6642E+01 9.0555E+00 H1 1865 1.008000 0.423800 -4.6435E+00 -1.6775E+01 8.4498E+00 H2 1866 1.008000 0.423800 -5.9268E+00 -1.5820E+01 8.7799E+00 O6 1867 15.999400 -0.847600 -7.7184E+00 2.8794E+00 1.1896E+01 H1 1868 1.008000 0.423800 -7.1520E+00 3.5835E+00 1.1468E+01 H2 1869 1.008000 0.423800 -7.2791E+00 2.5645E+00 1.2737E+01 O6 1870 15.999400 -0.847600 -7.2478E+00 -2.9793E+00 -1.6954E+00 H1 1871 1.008000 0.423800 -6.3245E+00 -3.3054E+00 -1.8985E+00 H2 1872 1.008000 0.423800 -7.8919E+00 -3.7416E+00 -1.7588E+00 O6 1873 15.999400 -0.847600 -1.0751E+01 1.2112E+01 6.8081E+00 H1 1874 1.008000 0.423800 -1.0228E+01 1.2591E+01 7.5133E+00 H2 1875 1.008000 0.423800 -1.1703E+01 1.2418E+01 6.8333E+00 O6 1876 15.999400 -0.847600 4.9208E+00 1.2418E+01 1.0286E+01 H1 1877 1.008000 0.423800 5.6336E+00 1.1740E+01 1.0104E+01 H2 1878 1.008000 0.423800 5.3383E+00 1.3253E+01 1.0642E+01 O6 1879 15.999400 -0.847600 -1.3237E+01 -1.1585E+01 1.3580E+01 H1 1880 1.008000 0.423800 -1.4090E+01 -1.2104E+01 1.3536E+01 H2 1881 1.008000 0.423800 -1.3301E+01 -1.0788E+01 1.2979E+01 O6 1882 15.999400 -0.847600 1.7235E+01 -3.6215E+00 -1.4584E+01 H1 1883 1.008000 0.423800 1.7499E+01 -3.9236E+00 -1.5501E+01 H2 1884 1.008000 0.423800 1.7785E+01 -2.8276E+00 -1.4324E+01 O6 1885 15.999400 -0.847600 -6.6716E+00 8.2034E+00 -4.1511E+00 H1 1886 1.008000 0.423800 -6.7128E+00 8.4793E+00 -3.1908E+00 H2 1887 1.008000 0.423800 -5.9015E+00 7.5799E+00 -4.2859E+00 O6 1888 15.999400 -0.847600 -9.6924E+00 -8.5034E+00 -9.0910E+00 H1 1889 1.008000 0.423800 -9.3288E+00 -7.9048E+00 -8.3772E+00 H2 1890 1.008000 0.423800 -9.5565E+00 -9.4581E+00 -8.8265E+00 O6 1891 15.999400 -0.847600 1.4315E+01 -8.1718E+00 9.4423E+00 H1 1892 1.008000 0.423800 1.4443E+01 -8.6012E+00 1.0336E+01 H2 1893 1.008000 0.423800 1.4044E+01 -8.8656E+00 8.7753E+00 O6 1894 15.999400 -0.847600 -5.9349E+00 1.0482E+01 5.9120E+00 H1 1895 1.008000 0.423800 -5.7834E+00 1.0430E+01 4.9249E+00 H2 1896 1.008000 0.423800 -5.0570E+00 1.0588E+01 6.3788E+00 O6 1897 15.999400 -0.847600 -1.6722E+01 -4.2053E+00 7.8882E+00 H1 1898 1.008000 0.423800 -1.7416E+01 -4.8740E+00 7.6211E+00 H2 1899 1.008000 0.423800 -1.6120E+01 -4.0215E+00 7.1112E+00 O6 1900 15.999400 -0.847600 -1.6114E+01 4.1509E+00 -1.0752E+01 H1 1901 1.008000 0.423800 -1.5775E+01 3.3899E+00 -1.1304E+01 H2 1902 1.008000 0.423800 -1.7112E+01 4.1042E+00 -1.0698E+01 O6 1903 15.999400 -0.847600 -1.1418E+01 1.7735E+01 1.7868E+01 H1 1904 1.008000 0.423800 -1.1297E+01 1.8526E+01 1.8469E+01 H2 1905 1.008000 0.423800 -1.1102E+01 1.7964E+01 1.6948E+01 O6 1906 15.999400 -0.847600 1.1456E+01 5.4540E+00 -8.3041E+00 H1 1907 1.008000 0.423800 1.0523E+01 5.7134E+00 -8.5526E+00 H2 1908 1.008000 0.423800 1.1722E+01 5.9288E+00 -7.4650E+00 O6 1909 15.999400 -0.847600 -6.8568E+00 -4.6465E-01 5.8371E+00 H1 1910 1.008000 0.423800 -6.6129E+00 4.8791E-01 6.0193E+00 H2 1911 1.008000 0.423800 -6.8333E+00 -6.3204E-01 4.8515E+00 O6 1912 15.999400 -0.847600 -8.9576E+00 1.8794E+01 -2.4759E+00 H1 1913 1.008000 0.423800 -9.4254E+00 1.8032E+01 -2.0275E+00 H2 1914 1.008000 0.423800 -8.7402E+00 1.8543E+01 -3.4191E+00 O6 1915 15.999400 -0.847600 8.3933E+00 -1.5068E-01 -7.6215E+00 H1 1916 1.008000 0.423800 8.8166E+00 -5.5783E-01 -8.4309E+00 H2 1917 1.008000 0.423800 7.3984E+00 -2.1972E-01 -7.6954E+00 O6 1918 15.999400 -0.847600 -6.5714E+00 1.9377E+01 -1.2152E+01 H1 1919 1.008000 0.423800 -6.3842E+00 1.8417E+01 -1.2357E+01 H2 1920 1.008000 0.423800 -6.8062E+00 -1.9239E+01 -1.2997E+01 O6 1921 15.999400 -0.847600 -9.2179E+00 -5.8752E-01 1.6270E+01 H1 1922 1.008000 0.423800 -9.2262E+00 -7.6767E-01 1.7253E+01 H2 1923 1.008000 0.423800 -9.2677E+00 3.9855E-01 1.6111E+01 O6 1924 15.999400 -0.847600 3.7124E-02 5.1884E+00 2.4128E+00 H1 1925 1.008000 0.423800 4.1673E-01 4.5906E+00 1.7067E+00 H2 1926 1.008000 0.423800 2.4112E-01 6.1411E+00 2.1879E+00 O6 1927 15.999400 -0.847600 -8.1923E+00 1.1504E+01 1.2366E+01 H1 1928 1.008000 0.423800 -8.6788E+00 1.0929E+01 1.3024E+01 H2 1929 1.008000 0.423800 -7.4445E+00 1.0982E+01 1.1956E+01 O6 1930 15.999400 -0.847600 1.3082E+01 -1.4217E+01 -3.3602E+00 H1 1931 1.008000 0.423800 1.4064E+01 -1.4356E+01 -3.2308E+00 H2 1932 1.008000 0.423800 1.2629E+01 -1.5104E+01 -3.4542E+00 O6 1933 15.999400 -0.847600 4.3654E-01 4.3155E+00 1.6373E+01 H1 1934 1.008000 0.423800 -2.8704E-01 4.9879E+00 1.6217E+01 H2 1935 1.008000 0.423800 1.6130E-01 3.6938E+00 1.7107E+01 O6 1936 15.999400 -0.847600 -1.4782E+01 3.3667E+00 -1.7327E+01 H1 1937 1.008000 0.423800 -1.5159E+01 3.7813E+00 -1.6499E+01 H2 1938 1.008000 0.423800 -1.4657E+01 2.3854E+00 -1.7181E+01 O6 1939 15.999400 -0.847600 1.2263E+01 1.3187E+00 -6.1143E+00 H1 1940 1.008000 0.423800 1.1836E+01 5.2562E-01 -6.5494E+00 H2 1941 1.008000 0.423800 1.1553E+01 1.9553E+00 -5.8132E+00 O6 1942 15.999400 -0.847600 -1.0763E+00 -7.8386E+00 -1.9208E+01 H1 1943 1.008000 0.423800 -1.8120E+00 -7.1661E+00 -1.9288E+01 H2 1944 1.008000 0.423800 -9.7699E-01 -8.1115E+00 -1.8251E+01 O6 1945 15.999400 -0.847600 4.9804E+00 6.1474E-01 1.1902E+01 H1 1946 1.008000 0.423800 4.6746E+00 9.6400E-01 1.1017E+01 H2 1947 1.008000 0.423800 4.8064E+00 -3.6880E-01 1.1951E+01 O6 1948 15.999400 -0.847600 -1.1752E+01 -1.6909E+01 -9.0058E+00 H1 1949 1.008000 0.423800 -1.1523E+01 -1.7546E+01 -9.7414E+00 H2 1950 1.008000 0.423800 -1.2736E+01 -1.6941E+01 -8.8315E+00 O6 1951 15.999400 -0.847600 -1.8025E+01 -8.7791E+00 1.2442E+01 H1 1952 1.008000 0.423800 -1.8106E+01 -9.5163E+00 1.3112E+01 H2 1953 1.008000 0.423800 -1.7713E+01 -9.1550E+00 1.1569E+01 O6 1954 15.999400 -0.847600 -1.2198E+01 2.2035E+00 1.4061E+00 H1 1955 1.008000 0.423800 -1.1274E+01 2.3102E+00 1.7725E+00 H2 1956 1.008000 0.423800 -1.2410E+01 2.9756E+00 8.0718E-01 O6 1957 15.999400 -0.847600 -3.9836E+00 4.9909E-01 1.0564E+01 H1 1958 1.008000 0.423800 -4.1769E+00 -2.0409E-01 9.8794E+00 H2 1959 1.008000 0.423800 -3.9544E+00 1.3954E+00 1.0121E+01 O6 1960 15.999400 -0.847600 -1.7010E+01 1.8094E+01 -1.4243E+01 H1 1961 1.008000 0.423800 -1.7216E+01 1.8714E+01 -1.3486E+01 H2 1962 1.008000 0.423800 -1.6278E+01 1.8483E+01 -1.4803E+01 O6 1963 15.999400 -0.847600 7.5807E+00 9.4728E+00 -1.5971E+01 H1 1964 1.008000 0.423800 8.0670E+00 9.3182E+00 -1.6831E+01 H2 1965 1.008000 0.423800 6.6465E+00 9.7717E+00 -1.6165E+01 O6 1966 15.999400 -0.847600 1.2438E+01 -1.2421E+01 -9.1494E+00 H1 1967 1.008000 0.423800 1.2263E+01 -1.1782E+01 -8.4011E+00 H2 1968 1.008000 0.423800 1.2916E+01 -1.3225E+01 -8.7954E+00 O6 1969 15.999400 -0.847600 -1.3896E+01 1.6273E+01 -1.0957E+01 H1 1970 1.008000 0.423800 -1.4731E+01 1.6823E+01 -1.0950E+01 H2 1971 1.008000 0.423800 -1.4127E+01 1.5318E+01 -1.1144E+01 O6 1972 15.999400 -0.847600 -6.4521E+00 8.0298E+00 -1.7685E+01 H1 1973 1.008000 0.423800 -5.6789E+00 7.9191E+00 -1.8310E+01 H2 1974 1.008000 0.423800 -6.4655E+00 8.9660E+00 -1.7334E+01 O6 1975 15.999400 -0.847600 -1.0271E+01 2.1284E+00 -6.7227E+00 H1 1976 1.008000 0.423800 -1.0846E+01 2.3080E+00 -5.9245E+00 H2 1977 1.008000 0.423800 -1.0425E+01 1.1929E+00 -7.0407E+00 O6 1978 15.999400 -0.847600 1.1054E+01 2.3070E+00 -1.6979E+01 H1 1979 1.008000 0.423800 1.1320E+01 1.5098E+00 -1.6437E+01 H2 1980 1.008000 0.423800 1.1196E+01 3.1380E+00 -1.6441E+01 O6 1981 15.999400 -0.847600 -1.0456E+01 1.6844E+01 -1.5336E+00 H1 1982 1.008000 0.423800 -1.1123E+01 1.6261E+01 -1.9967E+00 H2 1983 1.008000 0.423800 -1.0434E+01 1.6618E+01 -5.5981E-01 O6 1984 15.999400 -0.847600 -6.9344E+00 8.4706E+00 1.7876E+01 H1 1985 1.008000 0.423800 -7.3778E+00 9.1244E+00 1.8489E+01 H2 1986 1.008000 0.423800 -6.9312E+00 7.5651E+00 1.8300E+01 O6 1987 15.999400 -0.847600 -1.5559E+01 6.1056E+00 -2.2877E+00 H1 1988 1.008000 0.423800 -1.4905E+01 5.3524E+00 -2.3605E+00 H2 1989 1.008000 0.423800 -1.5921E+01 6.1435E+00 -1.3564E+00 O6 1990 15.999400 -0.847600 8.4437E+00 1.0153E+01 1.7959E+01 H1 1991 1.008000 0.423800 8.9281E+00 1.0734E+01 1.8613E+01 H2 1992 1.008000 0.423800 8.9736E+00 9.3203E+00 1.7797E+01 O6 1993 15.999400 -0.847600 1.5694E+01 1.4502E+01 7.2808E+00 H1 1994 1.008000 0.423800 1.5020E+01 1.5086E+01 6.8277E+00 H2 1995 1.008000 0.423800 1.6216E+01 1.5045E+01 7.9388E+00 O6 1996 15.999400 -0.847600 -1.1130E+01 -1.3908E+01 -1.9533E+01 H1 1997 1.008000 0.423800 -1.1712E+01 -1.3543E+01 1.8838E+01 H2 1998 1.008000 0.423800 -1.0908E+01 -1.4862E+01 1.9368E+01 O6 1999 15.999400 -0.847600 -7.4466E+00 2.0608E+00 1.7660E+01 H1 2000 1.008000 0.423800 -7.4756E+00 2.5677E+00 1.8522E+01 H2 2001 1.008000 0.423800 -8.3794E+00 1.8752E+00 1.7351E+01 O6 2002 15.999400 -0.847600 -1.3391E+01 -1.8430E+01 8.5181E+00 H1 2003 1.008000 0.423800 -1.3549E+01 -1.9280E+01 9.0201E+00 H2 2004 1.008000 0.423800 -1.2412E+01 -1.8328E+01 8.3373E+00 O6 2005 15.999400 -0.847600 -4.9234E+00 1.0102E+01 1.4047E+01 H1 2006 1.008000 0.423800 -4.3911E+00 9.2571E+00 1.4095E+01 H2 2007 1.008000 0.423800 -5.0757E+00 1.0347E+01 1.3090E+01 O6 2008 15.999400 -0.847600 8.8744E+00 -1.2464E+01 -1.5332E+01 H1 2009 1.008000 0.423800 9.4881E+00 -1.1720E+01 -1.5067E+01 H2 2010 1.008000 0.423800 9.0093E+00 -1.2680E+01 -1.6299E+01 O6 2011 15.999400 -0.847600 4.7398E+00 -4.7678E+00 1.2331E+01 H1 2012 1.008000 0.423800 4.4342E+00 -5.4030E+00 1.1622E+01 H2 2013 1.008000 0.423800 4.3809E+00 -5.0602E+00 1.3218E+01 O6 2014 15.999400 -0.847600 -1.2687E+01 -7.2112E+00 -1.5526E+01 H1 2015 1.008000 0.423800 -1.2334E+01 -6.2771E+00 -1.5582E+01 H2 2016 1.008000 0.423800 -1.2323E+01 -7.6571E+00 -1.4709E+01 O6 2017 15.999400 -0.847600 1.7064E+01 -1.9052E+01 1.6629E+01 H1 2018 1.008000 0.423800 1.6845E+01 1.9532E+01 1.7459E+01 H2 2019 1.008000 0.423800 1.6344E+01 -1.9193E+01 1.5950E+01 O6 2020 15.999400 -0.847600 -1.0919E+01 1.5204E+01 1.0468E+01 H1 2021 1.008000 0.423800 -1.0883E+01 1.4485E+01 1.1162E+01 H2 2022 1.008000 0.423800 -1.0271E+01 1.5929E+01 1.0705E+01 O6 2023 15.999400 -0.847600 1.2825E+01 1.1929E+01 -1.4838E+01 H1 2024 1.008000 0.423800 1.3705E+01 1.1475E+01 -1.4703E+01 H2 2025 1.008000 0.423800 1.2186E+01 1.1636E+01 -1.4126E+01 O6 2026 15.999400 -0.847600 5.0295E+00 -1.7654E+01 -2.9527E+00 H1 2027 1.008000 0.423800 4.6012E+00 -1.8516E+01 -2.6835E+00 H2 2028 1.008000 0.423800 5.3340E+00 -1.7715E+01 -3.9032E+00 O6 2029 15.999400 -0.847600 -1.7268E+01 -2.3493E+00 -1.1912E+00 H1 2030 1.008000 0.423800 -1.7868E+01 -2.7452E+00 -1.8860E+00 H2 2031 1.008000 0.423800 -1.7667E+01 -1.4979E+00 -8.5136E-01 O6 2032 15.999400 -0.847600 1.7675E+01 1.8569E+01 1.2374E+01 H1 2033 1.008000 0.423800 1.7443E+01 1.7597E+01 1.2341E+01 H2 2034 1.008000 0.423800 1.6860E+01 1.9113E+01 1.2171E+01 O6 2035 15.999400 -0.847600 2.0671E+00 3.3445E+00 1.4288E+01 H1 2036 1.008000 0.423800 1.3629E+00 3.6738E+00 1.4917E+01 H2 2037 1.008000 0.423800 2.9376E+00 3.7883E+00 1.4500E+01 O6 2038 15.999400 -0.847600 -1.8266E+01 -1.1137E+01 1.4039E+01 H1 2039 1.008000 0.423800 -1.7560E+01 -1.1845E+01 1.4048E+01 H2 2040 1.008000 0.423800 -1.8445E+01 -1.0833E+01 1.4974E+01 O6 2041 15.999400 -0.847600 8.2152E+00 1.7288E+01 8.5611E+00 H1 2042 1.008000 0.423800 8.6443E+00 1.8175E+01 8.3910E+00 H2 2043 1.008000 0.423800 8.5626E+00 1.6619E+01 7.9047E+00 O6 2044 15.999400 -0.847600 -7.7534E+00 8.0374E+00 -8.0987E+00 H1 2045 1.008000 0.423800 -6.9519E+00 8.5632E+00 -8.3837E+00 H2 2046 1.008000 0.423800 -7.4850E+00 7.0904E+00 -7.9219E+00 O6 2047 15.999400 -0.847600 8.0289E+00 2.6692E+00 1.5523E+01 H1 2048 1.008000 0.423800 7.1863E+00 2.1416E+00 1.5415E+01 H2 2049 1.008000 0.423800 8.0132E+00 3.4535E+00 1.4903E+01 O6 2050 15.999400 -0.847600 -8.8542E+00 -4.1668E-02 -1.2882E+01 H1 2051 1.008000 0.423800 -8.4729E+00 6.8637E-01 -1.3452E+01 H2 2052 1.008000 0.423800 -8.7642E+00 2.0798E-01 -1.1918E+01 O6 2053 15.999400 -0.847600 1.1675E+01 1.1074E+01 -6.0634E+00 H1 2054 1.008000 0.423800 1.1647E+01 1.0075E+01 -6.0542E+00 H2 2055 1.008000 0.423800 1.1070E+01 1.1418E+01 -6.7823E+00 O6 2056 15.999400 -0.847600 1.4872E+01 -1.8028E+01 -5.4858E+00 H1 2057 1.008000 0.423800 1.4211E+01 -1.7840E+01 -4.7594E+00 H2 2058 1.008000 0.423800 1.5728E+01 -1.7550E+01 -5.2888E+00 O6 2059 15.999400 -0.847600 -1.5993E+01 -1.1034E+01 7.7121E+00 H1 2060 1.008000 0.423800 -1.5842E+01 -1.2022E+01 7.7510E+00 H2 2061 1.008000 0.423800 -1.6968E+01 -1.0841E+01 7.8190E+00 O6 2062 15.999400 -0.847600 4.7400E+00 -1.3270E+01 1.2010E+01 H1 2063 1.008000 0.423800 4.2723E+00 -1.2754E+01 1.2728E+01 H2 2064 1.008000 0.423800 4.5441E+00 -1.2857E+01 1.1121E+01 O6 2065 15.999400 -0.847600 -7.4522E-01 8.7857E+00 -1.5625E+01 H1 2066 1.008000 0.423800 -4.4204E-01 8.0470E+00 -1.5023E+01 H2 2067 1.008000 0.423800 -1.1783E+00 8.3965E+00 -1.6438E+01 O6 2068 15.999400 -0.847600 7.3902E+00 8.2051E+00 1.2522E+01 H1 2069 1.008000 0.423800 6.8696E+00 8.3252E+00 1.3367E+01 H2 2070 1.008000 0.423800 8.3545E+00 8.4071E+00 1.2693E+01 O6 2071 15.999400 -0.847600 -6.6754E+00 -1.1179E+01 1.3125E+00 H1 2072 1.008000 0.423800 -6.4374E+00 -1.0254E+01 1.0178E+00 H2 2073 1.008000 0.423800 -7.6190E+00 -1.1191E+01 1.6435E+00 O6 2074 15.999400 -0.847600 -1.4063E+01 -3.6374E+00 -8.5028E+00 H1 2075 1.008000 0.423800 -1.3292E+01 -4.1909E+00 -8.1874E+00 H2 2076 1.008000 0.423800 -1.4849E+01 -4.2302E+00 -8.6791E+00 O6 2077 15.999400 -0.847600 3.4416E+00 8.8613E+00 9.2814E+00 H1 2078 1.008000 0.423800 3.2085E+00 8.3215E+00 1.0090E+01 H2 2079 1.008000 0.423800 4.4278E+00 8.8153E+00 9.1229E+00 O6 2080 15.999400 -0.847600 -8.1260E+00 4.8436E+00 -1.4498E+01 H1 2081 1.008000 0.423800 -8.0507E+00 3.8502E+00 -1.4412E+01 H2 2082 1.008000 0.423800 -8.8153E+00 5.1821E+00 -1.3857E+01 O6 2083 15.999400 -0.847600 4.2353E+00 5.5656E+00 1.0220E+01 H1 2084 1.008000 0.423800 5.2229E+00 5.4111E+00 1.0191E+01 H2 2085 1.008000 0.423800 3.9076E+00 5.7968E+00 9.3038E+00 O6 2086 15.999400 -0.847600 -1.2196E+01 -3.3377E-01 2.9677E+00 H1 2087 1.008000 0.423800 -1.1219E+01 -5.2974E-01 3.0494E+00 H2 2088 1.008000 0.423800 -1.2324E+01 5.1919E-01 2.4616E+00 O6 2089 15.999400 -0.847600 -3.9573E+00 3.3976E+00 6.3155E+00 H1 2090 1.008000 0.423800 -3.6482E+00 4.3251E+00 6.5260E+00 H2 2091 1.008000 0.423800 -3.5773E+00 3.1113E+00 5.4360E+00 O6 2092 15.999400 -0.847600 -1.3649E+01 9.0918E-01 -1.6575E+01 H1 2093 1.008000 0.423800 -1.3454E+01 -6.4255E-02 -1.6694E+01 H2 2094 1.008000 0.423800 -1.2876E+01 1.3512E+00 -1.6120E+01 O6 2095 15.999400 -0.847600 1.6679E+01 7.9759E+00 9.4823E+00 H1 2096 1.008000 0.423800 1.6317E+01 7.4140E+00 1.0226E+01 H2 2097 1.008000 0.423800 1.6875E+01 7.3959E+00 8.6916E+00 O6 2098 15.999400 -0.847600 -1.5764E+01 7.0437E+00 -1.3887E+01 H1 2099 1.008000 0.423800 -1.6450E+01 7.6564E+00 -1.4279E+01 H2 2100 1.008000 0.423800 -1.5518E+01 7.3614E+00 -1.2971E+01 O6 2101 15.999400 -0.847600 -1.3103E+01 -1.6968E+01 4.4019E+00 H1 2102 1.008000 0.423800 -1.3632E+01 -1.7340E+01 3.6394E+00 H2 2103 1.008000 0.423800 -1.2577E+01 -1.7702E+01 4.8313E+00 O6 2104 15.999400 -0.847600 -4.5453E+00 -3.5306E+00 -4.0803E+00 H1 2105 1.008000 0.423800 -4.7317E+00 -3.7043E+00 -3.1133E+00 H2 2106 1.008000 0.423800 -5.4041E+00 -3.3423E+00 -4.5567E+00 O6 2107 15.999400 -0.847600 9.4785E+00 6.8071E+00 1.3347E+00 H1 2108 1.008000 0.423800 9.3385E+00 6.0686E+00 1.9942E+00 H2 2109 1.008000 0.423800 8.6031E+00 7.2487E+00 1.1382E+00 O6 2110 15.999400 -0.847600 1.5352E+01 -9.1938E+00 1.8917E+01 H1 2111 1.008000 0.423800 1.5556E+01 -8.9834E+00 1.7961E+01 H2 2112 1.008000 0.423800 1.4366E+01 -9.1342E+00 1.9068E+01 O6 2113 15.999400 -0.847600 1.6904E+01 8.8524E+00 1.2834E+00 H1 2114 1.008000 0.423800 1.6115E+01 8.3717E+00 9.0119E-01 H2 2115 1.008000 0.423800 1.6625E+01 9.7642E+00 1.5847E+00 O6 2116 15.999400 -0.847600 -7.4445E+00 -1.8583E+01 -1.1835E+00 H1 2117 1.008000 0.423800 -8.0079E+00 -1.9366E+01 -1.4448E+00 H2 2118 1.008000 0.423800 -7.8466E+00 -1.7745E+01 -1.5534E+00 O6 2119 15.999400 -0.847600 1.0046E+01 1.7030E+01 2.3273E+00 H1 2120 1.008000 0.423800 1.0832E+01 1.6945E+01 1.7145E+00 H2 2121 1.008000 0.423800 9.2070E+00 1.6828E+01 1.8231E+00 O6 2122 15.999400 -0.847600 2.2278E-01 1.0785E+01 1.3021E+01 H1 2123 1.008000 0.423800 8.2217E-01 1.1251E+01 1.2370E+01 H2 2124 1.008000 0.423800 -7.0023E-01 1.0726E+01 1.2641E+01 O6 2125 15.999400 -0.847600 3.8241E+00 1.6651E+01 -1.8811E+00 H1 2126 1.008000 0.423800 4.3159E+00 1.6521E+01 -1.0202E+00 H2 2127 1.008000 0.423800 2.8657E+00 1.6393E+01 -1.7599E+00 O6 2128 15.999400 -0.847600 1.3776E+01 7.1387E-01 1.0904E+01 H1 2129 1.008000 0.423800 1.3529E+01 2.2716E-01 1.1742E+01 H2 2130 1.008000 0.423800 1.3354E+01 1.6207E+00 1.0909E+01 O6 2131 15.999400 -0.847600 1.3004E+01 -4.5576E+00 -1.3988E+01 H1 2132 1.008000 0.423800 1.2255E+01 -3.9151E+00 -1.4148E+01 H2 2133 1.008000 0.423800 1.3532E+01 -4.2610E+00 -1.3192E+01 O6 2134 15.999400 -0.847600 -1.3234E+01 7.7595E+00 -2.1831E+00 H1 2135 1.008000 0.423800 -1.4224E+01 7.8835E+00 -2.1158E+00 H2 2136 1.008000 0.423800 -1.2789E+01 8.1979E+00 -1.4021E+00 O6 2137 15.999400 -0.847600 -5.7913E+00 1.2987E+01 7.0401E+00 H1 2138 1.008000 0.423800 -5.6743E+00 1.2602E+01 7.9557E+00 H2 2139 1.008000 0.423800 -6.0560E+00 1.2261E+01 6.4051E+00 O6 2140 15.999400 -0.847600 7.4934E+00 -1.7682E+01 6.3602E+00 H1 2141 1.008000 0.423800 7.5016E+00 -1.7600E+01 7.3569E+00 H2 2142 1.008000 0.423800 6.7039E+00 -1.7191E+01 5.9919E+00 O6 2143 15.999400 -0.847600 -1.8717E+01 9.1274E+00 1.2721E+01 H1 2144 1.008000 0.423800 -1.9042E+01 8.2561E+00 1.2353E+01 H2 2145 1.008000 0.423800 -1.9207E+01 9.8791E+00 1.2279E+01 O6 2146 15.999400 -0.847600 -7.9814E+00 -1.1654E+01 1.1284E+01 H1 2147 1.008000 0.423800 -7.2470E+00 -1.2300E+01 1.1492E+01 H2 2148 1.008000 0.423800 -8.7929E+00 -1.1887E+01 1.1819E+01 O6 2149 15.999400 -0.847600 -7.2960E+00 -1.8256E+01 -1.4568E+01 H1 2150 1.008000 0.423800 -7.3899E+00 -1.8681E+01 -1.5469E+01 H2 2151 1.008000 0.423800 -7.1148E+00 -1.7279E+01 -1.4678E+01 O6 2152 15.999400 -0.847600 -3.4876E+00 2.2745E+00 3.7494E+00 H1 2153 1.008000 0.423800 -4.3143E+00 1.7252E+00 3.6278E+00 H2 2154 1.008000 0.423800 -2.7195E+00 1.6753E+00 3.9749E+00 O6 2155 15.999400 -0.847600 -3.2738E+00 -3.5472E+00 1.0437E+01 H1 2156 1.008000 0.423800 -2.5638E+00 -3.1555E+00 1.1022E+01 H2 2157 1.008000 0.423800 -3.7651E+00 -4.2585E+00 1.0940E+01 O6 2158 15.999400 -0.847600 -2.4034E+00 1.0737E+01 1.7291E+01 H1 2159 1.008000 0.423800 -3.3843E+00 1.0690E+01 1.7480E+01 H2 2160 1.008000 0.423800 -1.9204E+00 1.1044E+01 1.8111E+01 O6 2161 15.999400 -0.847600 -7.5061E+00 -1.2572E+00 -1.7054E+01 H1 2162 1.008000 0.423800 -8.4069E+00 -9.3868E-01 -1.7349E+01 H2 2163 1.008000 0.423800 -7.3897E+00 -2.2157E+00 -1.7314E+01 O6 2164 15.999400 -0.847600 3.3027E+00 1.2748E+00 -1.0448E+01 H1 2165 1.008000 0.423800 2.7713E+00 1.9606E+00 -9.9503E+00 H2 2166 1.008000 0.423800 3.1304E+00 3.7109E-01 -1.0056E+01 O6 2167 15.999400 -0.847600 1.7685E+01 -8.7318E+00 1.1433E+00 H1 2168 1.008000 0.423800 1.8064E+01 -9.3747E+00 4.7738E-01 H2 2169 1.008000 0.423800 1.7628E+01 -9.1741E+00 2.0382E+00 O6 2170 15.999400 -0.847600 -2.7419E+00 1.1807E+01 1.4665E+01 H1 2171 1.008000 0.423800 -2.2521E+00 1.1563E+01 1.5502E+01 H2 2172 1.008000 0.423800 -3.5509E+00 1.1227E+01 1.4571E+01 O6 2173 15.999400 -0.847600 -1.7294E+00 5.9987E+00 1.5484E+01 H1 2174 1.008000 0.423800 -2.0061E+00 6.9539E+00 1.5379E+01 H2 2175 1.008000 0.423800 -1.4655E+00 5.6284E+00 1.4593E+01 O6 2176 15.999400 -0.847600 2.8303E+00 7.5229E+00 1.1626E+01 H1 2177 1.008000 0.423800 3.4135E+00 6.8529E+00 1.1167E+01 H2 2178 1.008000 0.423800 3.3364E+00 7.9455E+00 1.2378E+01 O6 2179 15.999400 -0.847600 6.0173E+00 3.3343E+00 -7.4512E+00 H1 2180 1.008000 0.423800 6.3428E+00 2.3888E+00 -7.4637E+00 H2 2181 1.008000 0.423800 6.3809E+00 3.8012E+00 -6.6450E+00 O6 2182 15.999400 -0.847600 1.6930E+01 1.1077E+01 1.7593E+01 H1 2183 1.008000 0.423800 1.6573E+01 1.0150E+01 1.7472E+01 H2 2184 1.008000 0.423800 1.6991E+01 1.1529E+01 1.6703E+01 O6 2185 15.999400 -0.847600 -5.2314E+00 -1.5094E+01 -1.6052E+01 H1 2186 1.008000 0.423800 -6.1740E+00 -1.5340E+01 -1.5826E+01 H2 2187 1.008000 0.423800 -4.9587E+00 -1.4293E+01 -1.5519E+01 O6 2188 15.999400 -0.847600 4.2412E+00 3.2564E+00 6.7908E-01 H1 2189 1.008000 0.423800 3.9910E+00 3.0137E+00 1.6164E+00 H2 2190 1.008000 0.423800 4.4938E+00 2.4295E+00 1.7676E-01 O6 2191 15.999400 -0.847600 -9.3088E-01 -3.7912E+00 -1.6682E+01 H1 2192 1.008000 0.423800 -2.0695E-01 -3.2557E+00 -1.6247E+01 H2 2193 1.008000 0.423800 -1.3419E+00 -3.2575E+00 -1.7421E+01 O6 2194 15.999400 -0.847600 -1.4261E+01 1.0852E+01 -1.9078E+01 H1 2195 1.008000 0.423800 -1.3793E+01 1.1735E+01 -1.9037E+01 H2 2196 1.008000 0.423800 -1.5188E+01 1.0949E+01 -1.8716E+01 O6 2197 15.999400 -0.847600 -6.5609E-01 3.9309E+00 -1.5232E+01 H1 2198 1.008000 0.423800 -1.1672E+00 4.2114E+00 -1.4420E+01 H2 2199 1.008000 0.423800 2.8766E-01 4.2536E+00 -1.5160E+01 O6 2200 15.999400 -0.847600 -7.0015E+00 -1.4610E+01 8.0274E+00 H1 2201 1.008000 0.423800 -6.4842E+00 -1.3831E+01 7.6729E+00 H2 2202 1.008000 0.423800 -7.8188E+00 -1.4749E+01 7.4683E+00 O6 2203 15.999400 -0.847600 1.5234E+01 1.2216E+01 8.4256E+00 H1 2204 1.008000 0.423800 1.5366E+01 1.1436E+01 7.8134E+00 H2 2205 1.008000 0.423800 1.5450E+01 1.3062E+01 7.9388E+00 O6 2206 15.999400 -0.847600 1.5404E-01 -1.0458E+01 8.5129E+00 H1 2207 1.008000 0.423800 5.5877E-01 -1.0397E+01 7.6004E+00 H2 2208 1.008000 0.423800 -1.6928E-01 -1.1390E+01 8.6723E+00 O6 2209 15.999400 -0.847600 6.4374E+00 1.5419E+00 1.8093E+01 H1 2210 1.008000 0.423800 6.8229E+00 2.4338E+00 1.8330E+01 H2 2211 1.008000 0.423800 6.3294E+00 1.4783E+00 1.7101E+01 O6 2212 15.999400 -0.847600 1.7612E+01 1.6469E+01 -7.5406E-01 H1 2213 1.008000 0.423800 1.7400E+01 1.7108E+01 -1.4936E+00 H2 2214 1.008000 0.423800 1.8290E+01 1.5806E+01 -1.0704E+00 O6 2215 15.999400 -0.847600 -3.8626E+00 1.9099E+01 1.3236E+01 H1 2216 1.008000 0.423800 -3.3343E+00 1.8708E+01 1.3989E+01 H2 2217 1.008000 0.423800 -4.6745E+00 1.8539E+01 1.3072E+01 O6 2218 15.999400 -0.847600 -1.7373E+01 -7.2173E+00 -1.2812E+01 H1 2219 1.008000 0.423800 -1.6873E+01 -8.0196E+00 -1.3139E+01 H2 2220 1.008000 0.423800 -1.8354E+01 -7.4106E+00 -1.2819E+01 O6 2221 15.999400 -0.847600 -1.7047E+01 6.0079E+00 -4.6986E+00 H1 2222 1.008000 0.423800 -1.6547E+01 6.1782E+00 -3.8493E+00 H2 2223 1.008000 0.423800 -1.6436E+01 6.1480E+00 -5.4782E+00 O6 2224 15.999400 -0.847600 1.8417E+01 -9.6154E+00 -6.6086E+00 H1 2225 1.008000 0.423800 1.8338E+01 -8.7579E+00 -6.1002E+00 H2 2226 1.008000 0.423800 1.9307E+01 -1.0032E+01 -6.4232E+00 O6 2227 15.999400 -0.847600 9.4457E+00 -9.8024E+00 1.7692E+01 H1 2228 1.008000 0.423800 1.0034E+01 -1.0586E+01 1.7893E+01 H2 2229 1.008000 0.423800 9.9839E+00 -8.9608E+00 1.7738E+01 O6 2230 15.999400 -0.847600 -1.3156E+01 7.5704E+00 4.0747E+00 H1 2231 1.008000 0.423800 -1.3362E+01 6.7946E+00 4.6714E+00 H2 2232 1.008000 0.423800 -1.3461E+01 7.3654E+00 3.1447E+00 O6 2233 15.999400 -0.847600 -1.8217E+01 8.4463E+00 -1.8011E+00 H1 2234 1.008000 0.423800 -1.7317E+01 8.6244E+00 -2.1978E+00 H2 2235 1.008000 0.423800 -1.8805E+01 8.0195E+00 -2.4880E+00 O6 2236 15.999400 -0.847600 -1.1756E+01 2.2422E+00 -1.5007E+01 H1 2237 1.008000 0.423800 -1.1568E+01 1.3823E+00 -1.4532E+01 H2 2238 1.008000 0.423800 -1.2082E+01 2.9216E+00 -1.4350E+01 O6 2239 15.999400 -0.847600 -9.8602E+00 1.7571E+01 -6.2359E+00 H1 2240 1.008000 0.423800 -9.9977E+00 1.7809E+01 -7.1975E+00 H2 2241 1.008000 0.423800 -8.9329E+00 1.7824E+01 -5.9595E+00 O6 2242 15.999400 -0.847600 1.2454E+01 5.4411E+00 4.9361E+00 H1 2243 1.008000 0.423800 1.3400E+01 5.1175E+00 4.9007E+00 H2 2244 1.008000 0.423800 1.1929E+01 5.0174E+00 4.1981E+00 O6 2245 15.999400 -0.847600 4.1044E-01 -8.5263E+00 -5.1784E+00 H1 2246 1.008000 0.423800 -7.0086E-03 -9.0231E+00 -4.4175E+00 H2 2247 1.008000 0.423800 4.7376E-01 -9.1281E+00 -5.9745E+00 O6 2248 15.999400 -0.847600 1.2486E+01 1.8883E+01 -5.2708E+00 H1 2249 1.008000 0.423800 1.2790E+01 -1.9311E+01 -5.5726E+00 H2 2250 1.008000 0.423800 1.2837E+01 1.8704E+01 -4.3515E+00 O6 2251 15.999400 -0.847600 -7.0524E+00 -3.3787E+00 9.1887E+00 H1 2252 1.008000 0.423800 -7.7324E+00 -2.6790E+00 9.4079E+00 H2 2253 1.008000 0.423800 -6.5775E+00 -3.6552E+00 1.0024E+01 O6 2254 15.999400 -0.847600 -1.0903E+01 -9.9497E-01 -2.9491E-01 H1 2255 1.008000 0.423800 -1.1062E+01 -9.7082E-01 -1.2819E+00 H2 2256 1.008000 0.423800 -1.1664E+01 -1.4635E+00 1.5385E-01 O6 2257 15.999400 -0.847600 -1.8784E+01 1.0465E+01 -5.5063E+00 H1 2258 1.008000 0.423800 -1.9074E+01 1.1408E+01 -5.6726E+00 H2 2259 1.008000 0.423800 -1.7859E+01 1.0463E+01 -5.1276E+00 O6 2260 15.999400 -0.847600 -1.7699E+01 9.1040E+00 -1.4799E+01 H1 2261 1.008000 0.423800 -1.7628E+01 9.9957E+00 -1.4352E+01 H2 2262 1.008000 0.423800 -1.8610E+01 8.7238E+00 -1.4641E+01 O6 2263 15.999400 -0.847600 1.3100E+01 1.6924E+01 -7.2597E+00 H1 2264 1.008000 0.423800 1.2672E+01 1.7648E+01 -6.7190E+00 H2 2265 1.008000 0.423800 1.3749E+01 1.6421E+01 -6.6885E+00 O6 2266 15.999400 -0.847600 -1.5964E+01 -5.6564E+00 -8.7902E+00 H1 2267 1.008000 0.423800 -1.6394E+01 -5.4671E+00 -9.6730E+00 H2 2268 1.008000 0.423800 -1.5987E+01 -6.6401E+00 -8.6124E+00 O6 2269 15.999400 -0.847600 -1.6094E+00 -1.0492E+01 -1.0368E+01 H1 2270 1.008000 0.423800 -8.4063E-01 -1.0089E+01 -1.0864E+01 H2 2271 1.008000 0.423800 -1.9799E+00 -9.8221E+00 -9.7246E+00 O6 2272 15.999400 -0.847600 -4.3718E+00 -1.9490E+01 1.6837E+01 H1 2273 1.008000 0.423800 -3.6455E+00 1.8982E+01 1.6553E+01 H2 2274 1.008000 0.423800 -4.5654E+00 1.9474E+01 1.7809E+01 O6 2275 15.999400 -0.847600 -1.7505E+01 1.2398E-01 1.6832E+01 H1 2276 1.008000 0.423800 -1.7277E+01 1.0946E+00 1.6909E+01 H2 2277 1.008000 0.423800 -1.7404E+01 -1.6699E-01 1.5880E+01 O6 2278 15.999400 -0.847600 -6.4667E+00 1.2569E+01 1.6667E+01 H1 2279 1.008000 0.423800 -6.2618E+00 1.2705E+01 1.5698E+01 H2 2280 1.008000 0.423800 -6.5902E+00 1.3457E+01 1.7110E+01 O6 2281 15.999400 -0.847600 1.0198E+01 1.5220E+01 1.4285E+01 H1 2282 1.008000 0.423800 1.0030E+01 1.4860E+01 1.3367E+01 H2 2283 1.008000 0.423800 9.4474E+00 1.4953E+01 1.4890E+01 O6 2284 15.999400 -0.847600 3.2478E+00 1.1861E+01 -1.5467E+01 H1 2285 1.008000 0.423800 2.3619E+00 1.1507E+01 -1.5768E+01 H2 2286 1.008000 0.423800 3.2302E+00 1.2007E+01 -1.4478E+01 O6 2287 15.999400 -0.847600 1.4583E+01 1.8195E+01 -9.0091E+00 H1 2288 1.008000 0.423800 1.3924E+01 1.7861E+01 -8.3361E+00 H2 2289 1.008000 0.423800 1.4316E+01 1.9110E+01 -9.3129E+00 O6 2290 15.999400 -0.847600 -1.9363E+01 -6.1752E+00 -9.6566E+00 H1 2291 1.008000 0.423800 -1.9204E+01 -5.1899E+00 -9.5963E+00 H2 2292 1.008000 0.423800 1.8783E+01 -6.3741E+00 -9.4202E+00 O6 2293 15.999400 -0.847600 5.2821E+00 -1.2788E+01 3.0691E+00 H1 2294 1.008000 0.423800 5.5928E+00 -1.3224E+01 2.2246E+00 H2 2295 1.008000 0.423800 6.0607E+00 -1.2362E+01 3.5301E+00 O6 2296 15.999400 -0.847600 -1.4267E+00 -9.5289E+00 1.1463E+00 H1 2297 1.008000 0.423800 -1.5951E+00 -1.0376E+01 1.6507E+00 H2 2298 1.008000 0.423800 -2.1339E+00 -9.4099E+00 4.4936E-01 O6 2299 15.999400 -0.847600 1.4863E+01 -1.5985E+01 -1.3329E+01 H1 2300 1.008000 0.423800 1.4196E+01 -1.6700E+01 -1.3542E+01 H2 2301 1.008000 0.423800 1.4401E+01 -1.5099E+01 -1.3295E+01 O6 2302 15.999400 -0.847600 -1.8242E+01 -1.0483E+00 1.1268E+01 H1 2303 1.008000 0.423800 -1.7373E+01 -6.0367E-01 1.1483E+01 H2 2304 1.008000 0.423800 -1.8239E+01 -1.3386E+00 1.0311E+01 O6 2305 15.999400 -0.847600 6.6032E+00 -2.0009E+00 -1.0618E+01 H1 2306 1.008000 0.423800 6.6483E+00 -1.0055E+00 -1.0704E+01 H2 2307 1.008000 0.423800 5.8365E+00 -2.2502E+00 -1.0027E+01 O6 2308 15.999400 -0.847600 1.9557E+00 -4.5019E+00 1.9510E+01 H1 2309 1.008000 0.423800 1.8880E+00 -4.8177E+00 -1.8641E+01 H2 2310 1.008000 0.423800 2.3973E+00 -3.6049E+00 1.9489E+01 O6 2311 15.999400 -0.847600 6.8069E+00 -1.1132E+01 -1.0736E+01 H1 2312 1.008000 0.423800 6.6320E+00 -1.0526E+01 -1.1511E+01 H2 2313 1.008000 0.423800 7.6093E+00 -1.1697E+01 -1.0929E+01 O6 2314 15.999400 -0.847600 -3.7526E+00 2.8994E+00 9.2563E+00 H1 2315 1.008000 0.423800 -3.4330E+00 3.2994E+00 8.3973E+00 H2 2316 1.008000 0.423800 -4.2941E+00 3.5745E+00 9.7572E+00 O6 2317 15.999400 -0.847600 -7.8748E+00 -1.2511E+01 1.6054E+01 H1 2318 1.008000 0.423800 -7.1602E+00 -1.2818E+01 1.5425E+01 H2 2319 1.008000 0.423800 -8.1694E+00 -1.1590E+01 1.5798E+01 O6 2320 15.999400 -0.847600 -6.1734E+00 -1.5907E+01 1.6005E+01 H1 2321 1.008000 0.423800 -5.8997E+00 -1.4964E+01 1.5814E+01 H2 2322 1.008000 0.423800 -5.4961E+00 -1.6535E+01 1.5621E+01 O6 2323 15.999400 -0.847600 -2.0930E+00 -1.3789E+01 -1.2983E+01 H1 2324 1.008000 0.423800 -2.1504E+00 -1.2826E+01 -1.3249E+01 H2 2325 1.008000 0.423800 -2.2401E+00 -1.3871E+01 -1.1997E+01 O6 2326 15.999400 -0.847600 1.5466E+01 -1.0495E+01 -3.4175E+00 H1 2327 1.008000 0.423800 1.5024E+01 -1.0550E+01 -2.5221E+00 H2 2328 1.008000 0.423800 1.5808E+01 -9.5666E+00 -3.5635E+00 O6 2329 15.999400 -0.847600 1.1844E+01 1.3540E+01 1.8265E+01 H1 2330 1.008000 0.423800 1.1972E+01 1.4528E+01 1.8347E+01 H2 2331 1.008000 0.423800 1.2730E+01 1.3082E+01 1.8329E+01 O6 2332 15.999400 -0.847600 -1.6724E+01 -1.8055E+01 3.9803E+00 H1 2333 1.008000 0.423800 -1.6778E+01 -1.9036E+01 3.7967E+00 H2 2334 1.008000 0.423800 -1.6349E+01 -1.7907E+01 4.8953E+00 O6 2335 15.999400 -0.847600 -1.3049E+01 -5.0954E+00 1.2893E+01 H1 2336 1.008000 0.423800 -1.3791E+01 -5.1264E+00 1.3562E+01 H2 2337 1.008000 0.423800 -1.2199E+01 -5.3977E+00 1.3324E+01 O6 2338 15.999400 -0.847600 1.0372E+01 -1.6892E+01 -1.5219E+01 H1 2339 1.008000 0.423800 9.5059E+00 -1.6397E+01 -1.5157E+01 H2 2340 1.008000 0.423800 1.0563E+01 -1.7340E+01 -1.4345E+01 O6 2341 15.999400 -0.847600 -6.3788E+00 -1.1007E+01 9.1324E+00 H1 2342 1.008000 0.423800 -7.1482E+00 -1.1300E+01 9.7001E+00 H2 2343 1.008000 0.423800 -5.9027E+00 -1.1811E+01 8.7761E+00 O6 2344 15.999400 -0.847600 -1.6600E+01 1.0291E+01 -1.7089E+01 H1 2345 1.008000 0.423800 -1.6861E+01 9.8295E+00 -1.6241E+01 H2 2346 1.008000 0.423800 -1.5700E+01 1.0711E+01 -1.6977E+01 O6 2347 15.999400 -0.847600 1.6962E+01 -1.2506E+01 -1.3968E+00 H1 2348 1.008000 0.423800 1.6299E+01 -1.2321E+01 -6.7078E-01 H2 2349 1.008000 0.423800 1.7568E+01 -1.3249E+01 -1.1133E+00 O6 2350 15.999400 -0.847600 -8.2259E+00 4.6033E+00 -9.6382E+00 H1 2351 1.008000 0.423800 -8.4690E+00 4.8278E+00 -8.6945E+00 H2 2352 1.008000 0.423800 -9.0283E+00 4.7145E+00 -1.0224E+01 O6 2353 15.999400 -0.847600 1.4511E+01 5.1888E+00 -1.6543E+01 H1 2354 1.008000 0.423800 1.5273E+01 4.6911E+00 -1.6128E+01 H2 2355 1.008000 0.423800 1.3927E+01 5.5651E+00 -1.5825E+01 O6 2356 15.999400 -0.847600 -5.7744E+00 7.1047E-01 -1.9078E+01 H1 2357 1.008000 0.423800 -6.4670E+00 1.4318E+00 -1.9085E+01 H2 2358 1.008000 0.423800 -6.1495E+00 -1.1552E-01 -1.9499E+01 O6 2359 15.999400 -0.847600 1.9056E+01 -1.7096E+01 1.1841E+01 H1 2360 1.008000 0.423800 1.8247E+01 -1.7315E+01 1.2386E+01 H2 2361 1.008000 0.423800 1.9097E+01 -1.6108E+01 1.1688E+01 O6 2362 15.999400 -0.847600 -1.0613E+01 2.5401E+00 -1.0303E+01 H1 2363 1.008000 0.423800 -1.0933E+01 3.2972E+00 -1.0873E+01 H2 2364 1.008000 0.423800 -1.0920E+01 2.6783E+00 -9.3615E+00 O6 2365 15.999400 -0.847600 1.9331E+01 4.5032E+00 1.7136E+01 H1 2366 1.008000 0.423800 1.9504E+01 5.2717E+00 1.6520E+01 H2 2367 1.008000 0.423800 1.8360E+01 4.4781E+00 1.7373E+01 O6 2368 15.999400 -0.847600 -3.0456E+00 -1.2748E+01 -5.6459E+00 H1 2369 1.008000 0.423800 -2.5163E+00 -1.3593E+01 -5.5697E+00 H2 2370 1.008000 0.423800 -2.5615E+00 -1.2104E+01 -6.2381E+00 O6 2371 15.999400 -0.847600 -9.9048E-01 8.6034E+00 -1.8542E+01 H1 2372 1.008000 0.423800 -1.8752E+00 8.2061E+00 -1.8786E+01 H2 2373 1.008000 0.423800 -9.1594E-01 9.5189E+00 -1.8937E+01 O6 2374 15.999400 -0.847600 -7.0605E+00 2.5139E+00 9.2649E+00 H1 2375 1.008000 0.423800 -7.8138E+00 2.5924E+00 9.9179E+00 H2 2376 1.008000 0.423800 -6.2110E+00 2.8144E+00 9.6984E+00 O6 2377 15.999400 -0.847600 -1.6639E+01 1.5576E+01 1.1327E+01 H1 2378 1.008000 0.423800 -1.7019E+01 1.6346E+01 1.1840E+01 H2 2379 1.008000 0.423800 -1.6409E+01 1.4836E+01 1.1958E+01 O6 2380 15.999400 -0.847600 -1.2663E+01 -1.0906E+01 -1.9312E+01 H1 2381 1.008000 0.423800 -1.3619E+01 -1.0642E+01 -1.9184E+01 H2 2382 1.008000 0.423800 -1.2075E+01 -1.0109E+01 -1.9171E+01 O6 2383 15.999400 -0.847600 1.2552E+01 1.7363E+01 4.2367E+00 H1 2384 1.008000 0.423800 1.2193E+01 1.8196E+01 4.6577E+00 H2 2385 1.008000 0.423800 1.1795E+01 1.6821E+01 3.8723E+00 O6 2386 15.999400 -0.847600 2.3351E+00 5.5342E+00 4.5024E+00 H1 2387 1.008000 0.423800 1.6701E+00 5.3055E+00 3.7915E+00 H2 2388 1.008000 0.423800 2.4930E+00 4.7340E+00 5.0809E+00 O6 2389 15.999400 -0.847600 -1.8336E+01 -1.1233E+00 -1.5531E+01 H1 2390 1.008000 0.423800 -1.7866E+01 -3.2729E-01 -1.5913E+01 H2 2391 1.008000 0.423800 -1.9131E+01 -1.3438E+00 -1.6096E+01 O6 2392 15.999400 -0.847600 1.1982E+01 2.8417E+00 -2.9487E+00 H1 2393 1.008000 0.423800 1.1001E+01 2.8779E+00 -3.1391E+00 H2 2394 1.008000 0.423800 1.2423E+01 3.6617E+00 -3.3137E+00 O6 2395 15.999400 -0.847600 9.9315E+00 -3.7463E+00 -6.9789E+00 H1 2396 1.008000 0.423800 1.0074E+01 -3.1995E+00 -6.1539E+00 H2 2397 1.008000 0.423800 9.1744E+00 -4.3825E+00 -6.8303E+00 O6 2398 15.999400 -0.847600 -7.6039E+00 5.7227E+00 -6.0084E-01 H1 2399 1.008000 0.423800 -7.3424E+00 6.3479E+00 -1.3362E+00 H2 2400 1.008000 0.423800 -8.5928E+00 5.7687E+00 -4.6020E-01 O6 2401 15.999400 -0.847600 -1.1758E+01 6.3791E+00 -6.6836E+00 H1 2402 1.008000 0.423800 -1.1468E+01 7.0571E+00 -7.3590E+00 H2 2403 1.008000 0.423800 -1.2230E+01 6.8389E+00 -5.9315E+00 O6 2404 15.999400 -0.847600 -1.7832E+01 3.8659E+00 -6.4139E+00 H1 2405 1.008000 0.423800 -1.8548E+01 3.2620E+00 -6.0637E+00 H2 2406 1.008000 0.423800 -1.7758E+01 4.6709E+00 -5.8253E+00 O6 2407 15.999400 -0.847600 -7.5987E+00 -1.2152E+01 -1.0343E+01 H1 2408 1.008000 0.423800 -6.8579E+00 -1.2419E+01 -9.7266E+00 H2 2409 1.008000 0.423800 -8.4751E+00 -1.2243E+01 -9.8701E+00 O6 2410 15.999400 -0.847600 1.0729E+01 -2.9913E+00 1.6925E+01 H1 2411 1.008000 0.423800 1.1491E+01 -2.3487E+00 1.6844E+01 H2 2412 1.008000 0.423800 1.0755E+01 -3.4273E+00 1.7824E+01 O6 2413 15.999400 -0.847600 -1.4369E+01 1.2405E+01 6.3268E-01 H1 2414 1.008000 0.423800 -1.3859E+01 1.1800E+01 2.1063E-02 H2 2415 1.008000 0.423800 -1.3808E+01 1.2620E+01 1.4322E+00 O6 2416 15.999400 -0.847600 -6.2042E+00 2.8432E+00 -1.6952E+00 H1 2417 1.008000 0.423800 -5.9391E+00 3.2761E+00 -8.3355E-01 H2 2418 1.008000 0.423800 -6.6312E+00 3.5227E+00 -2.2919E+00 O6 2419 15.999400 -0.847600 8.9498E+00 -1.3930E+01 7.7302E+00 H1 2420 1.008000 0.423800 9.6967E+00 -1.3292E+01 7.5431E+00 H2 2421 1.008000 0.423800 9.3052E+00 -1.4865E+01 7.7423E+00 O6 2422 15.999400 -0.847600 -1.0532E+01 -1.1805E+01 1.3239E+01 H1 2423 1.008000 0.423800 -1.1530E+01 -1.1846E+01 1.3208E+01 H2 2424 1.008000 0.423800 -1.0181E+01 -1.2599E+01 1.3736E+01 O6 2425 15.999400 -0.847600 -6.0518E+00 4.5058E-01 -9.1800E+00 H1 2426 1.008000 0.423800 -6.7096E+00 9.3750E-01 -9.7546E+00 H2 2427 1.008000 0.423800 -5.1404E+00 8.3993E-01 -9.3134E+00 O6 2428 15.999400 -0.847600 1.5064E+01 -1.2323E+01 5.5459E-01 H1 2429 1.008000 0.423800 1.5837E+01 -1.2672E+01 1.0852E+00 H2 2430 1.008000 0.423800 1.4264E+01 -1.2238E+01 1.1478E+00 O6 2431 15.999400 -0.847600 2.8975E+00 7.7106E+00 6.0554E+00 H1 2432 1.008000 0.423800 3.3284E+00 8.4576E+00 5.5491E+00 H2 2433 1.008000 0.423800 2.7857E+00 6.9205E+00 5.4528E+00 O6 2434 15.999400 -0.847600 4.4316E+00 -8.2822E+00 9.2293E+00 H1 2435 1.008000 0.423800 4.3098E+00 -7.3191E+00 9.4693E+00 H2 2436 1.008000 0.423800 3.6274E+00 -8.8018E+00 9.5179E+00 O6 2437 15.999400 -0.847600 1.9282E+01 -1.3315E+01 1.6324E+01 H1 2438 1.008000 0.423800 1.9207E+01 -1.2576E+01 1.6994E+01 H2 2439 1.008000 0.423800 -1.9145E+01 -1.3986E+01 1.6642E+01 O6 2440 15.999400 -0.847600 -1.3267E+01 -9.3955E+00 1.1763E+01 H1 2441 1.008000 0.423800 -1.4053E+01 -9.0702E+00 1.2289E+01 H2 2442 1.008000 0.423800 -1.3462E+01 -9.3121E+00 1.0786E+01 O6 2443 15.999400 -0.847600 4.7817E+00 -1.6277E+01 -9.9034E+00 H1 2444 1.008000 0.423800 4.5807E+00 -1.5419E+01 -9.4299E+00 H2 2445 1.008000 0.423800 5.6545E+00 -1.6640E+01 -9.5780E+00 O6 2446 15.999400 -0.847600 2.1278E+00 6.8470E-01 1.7182E+01 H1 2447 1.008000 0.423800 2.5188E+00 1.5746E+00 1.7417E+01 H2 2448 1.008000 0.423800 2.8630E+00 1.5176E-02 1.7076E+01 O6 2449 15.999400 -0.847600 1.7497E+01 -2.8333E+00 -4.2869E+00 H1 2450 1.008000 0.423800 1.7238E+01 -3.6920E+00 -3.8445E+00 H2 2451 1.008000 0.423800 1.6691E+01 -2.4209E+00 -4.7111E+00 O6 2452 15.999400 -0.847600 -1.2270E+01 -3.8281E+00 -1.4475E+00 H1 2453 1.008000 0.423800 -1.2906E+01 -3.0716E+00 -1.6027E+00 H2 2454 1.008000 0.423800 -1.2785E+01 -4.6531E+00 -1.2142E+00 O6 2455 15.999400 -0.847600 -2.0429E+00 -7.4427E+00 -2.4347E+00 H1 2456 1.008000 0.423800 -2.5423E+00 -6.7683E+00 -2.9785E+00 H2 2457 1.008000 0.423800 -1.2082E+00 -7.0272E+00 -2.0732E+00 O6 2458 15.999400 -0.847600 -1.7973E+00 -1.3684E+01 5.7779E+00 H1 2459 1.008000 0.423800 -2.3710E+00 -1.4034E+01 5.0373E+00 H2 2460 1.008000 0.423800 -8.3401E-01 -1.3814E+01 5.5433E+00 O6 2461 15.999400 -0.847600 -1.2924E+01 5.3279E+00 -3.5653E+00 H1 2462 1.008000 0.423800 -1.1967E+01 5.0520E+00 -3.6531E+00 H2 2463 1.008000 0.423800 -1.2981E+01 6.1691E+00 -3.0275E+00 O6 2464 15.999400 -0.847600 -1.5810E+01 4.3974E+00 -1.4684E+01 H1 2465 1.008000 0.423800 -1.6646E+01 3.9739E+00 -1.5033E+01 H2 2466 1.008000 0.423800 -1.6042E+01 5.2352E+00 -1.4190E+01 O6 2467 15.999400 -0.847600 -1.5613E+01 1.9029E+01 -1.6441E+01 H1 2468 1.008000 0.423800 -1.4855E+01 -1.9418E+01 -1.6420E+01 H2 2469 1.008000 0.423800 -1.5984E+01 1.8979E+01 -1.7368E+01 O6 2470 15.999400 -0.847600 9.9487E+00 -2.5843E+00 -4.6437E+00 H1 2471 1.008000 0.423800 1.0797E+01 -2.3458E+00 -4.1704E+00 H2 2472 1.008000 0.423800 9.2947E+00 -1.8331E+00 -4.5547E+00 O6 2473 15.999400 -0.847600 -5.9370E+00 6.0252E+00 1.6498E+00 H1 2474 1.008000 0.423800 -6.1409E+00 6.6771E+00 2.3802E+00 H2 2475 1.008000 0.423800 -6.5934E+00 6.1435E+00 9.0475E-01 O6 2476 15.999400 -0.847600 -4.2232E+00 2.2972E+00 -1.0490E+01 H1 2477 1.008000 0.423800 -4.5990E+00 3.0633E+00 -9.9685E+00 H2 2478 1.008000 0.423800 -3.2326E+00 2.4051E+00 -1.0574E+01 O6 2479 15.999400 -0.847600 4.0620E+00 -1.9526E+01 1.0635E+01 H1 2480 1.008000 0.423800 4.1278E+00 -1.8881E+01 9.8735E+00 H2 2481 1.008000 0.423800 4.9807E+00 1.9308E+01 1.0929E+01 O6 2482 15.999400 -0.847600 -1.1408E+01 5.9340E+00 1.3809E+01 H1 2483 1.008000 0.423800 -1.1168E+01 5.5906E+00 1.4716E+01 H2 2484 1.008000 0.423800 -1.0620E+01 5.8469E+00 1.3200E+01 O6 2485 15.999400 -0.847600 1.0877E+01 4.5866E+00 1.3332E+01 H1 2486 1.008000 0.423800 1.1061E+01 4.4251E+00 1.4301E+01 H2 2487 1.008000 0.423800 1.1343E+01 3.8924E+00 1.2784E+01 O6 2488 15.999400 -0.847600 -8.6141E+00 -3.7986E+00 3.5341E+00 H1 2489 1.008000 0.423800 -7.6239E+00 -3.8887E+00 3.6405E+00 H2 2490 1.008000 0.423800 -9.0606E+00 -3.9688E+00 4.4126E+00 O6 2491 15.999400 -0.847600 -1.6218E+01 -5.5132E-01 5.0390E+00 H1 2492 1.008000 0.423800 -1.6238E+01 -1.8930E-01 4.1070E+00 H2 2493 1.008000 0.423800 -1.5361E+01 -1.0449E+00 5.1871E+00 O6 2494 15.999400 -0.847600 4.5024E-01 -1.5982E+01 -7.5574E+00 H1 2495 1.008000 0.423800 9.8479E-02 -1.6908E+01 -7.6958E+00 H2 2496 1.008000 0.423800 1.3780E+00 -1.6030E+01 -7.1874E+00 O6 2497 15.999400 -0.847600 -1.8637E+01 -1.4301E+01 5.6671E+00 H1 2498 1.008000 0.423800 -1.9405E+01 -1.3869E+01 6.1391E+00 H2 2499 1.008000 0.423800 -1.8961E+01 -1.5104E+01 5.1679E+00 O6 2500 15.999400 -0.847600 -2.7713E-01 3.9991E+00 1.0679E+01 H1 2501 1.008000 0.423800 7.1499E-01 4.0579E+00 1.0790E+01 H2 2502 1.008000 0.423800 -5.3439E-01 4.3607E+00 9.7826E+00 O6 2503 15.999400 -0.847600 -1.7584E+01 -3.9539E+00 -1.5345E+01 H1 2504 1.008000 0.423800 -1.7907E+01 -3.0088E+00 -1.5396E+01 H2 2505 1.008000 0.423800 -1.8329E+01 -4.5442E+00 -1.5034E+01 O6 2506 15.999400 -0.847600 -1.6126E+01 -3.6652E+00 1.5882E+01 H1 2507 1.008000 0.423800 -1.6436E+01 -4.5968E+00 1.6073E+01 H2 2508 1.008000 0.423800 -1.5180E+01 -3.6878E+00 1.5560E+01 O6 2509 15.999400 -0.847600 1.5577E+01 -8.6019E+00 -1.0078E+01 H1 2510 1.008000 0.423800 1.5142E+01 -9.2449E+00 -1.0708E+01 H2 2511 1.008000 0.423800 1.5002E+01 -8.4885E+00 -9.2680E+00 O6 2512 15.999400 -0.847600 1.6000E+01 -1.0517E+01 7.1683E+00 H1 2513 1.008000 0.423800 1.5094E+01 -1.0230E+01 7.4805E+00 H2 2514 1.008000 0.423800 1.6216E+01 -1.1414E+01 7.5531E+00 O6 2515 15.999400 -0.847600 -9.3368E+00 -8.1434E+00 -4.6086E+00 H1 2516 1.008000 0.423800 -1.0017E+01 -7.4411E+00 -4.3997E+00 H2 2517 1.008000 0.423800 -9.3191E+00 -8.8198E+00 -3.8722E+00 O6 2518 15.999400 -0.847600 6.1186E+00 -1.9474E+01 -8.9183E+00 H1 2519 1.008000 0.423800 6.5499E+00 1.8758E+01 -8.6638E+00 H2 2520 1.008000 0.423800 6.8200E+00 -1.8768E+01 -9.0139E+00 O6 2521 15.999400 -0.847600 -7.8244E+00 -1.9521E+01 1.7993E+01 H1 2522 1.008000 0.423800 -7.3676E+00 -1.8633E+01 1.7950E+01 H2 2523 1.008000 0.423800 -7.6408E+00 1.9065E+01 1.7153E+01 O6 2524 15.999400 -0.847600 -8.5582E+00 -6.9268E+00 -7.1615E+00 H1 2525 1.008000 0.423800 -8.7636E+00 -7.3434E+00 -6.2759E+00 H2 2526 1.008000 0.423800 -8.8958E+00 -5.9856E+00 -7.1735E+00 O6 2527 15.999400 -0.847600 -1.5799E+01 -6.0747E+00 -1.6895E+01 H1 2528 1.008000 0.423800 -1.5760E+01 -5.1177E+00 -1.6607E+01 H2 2529 1.008000 0.423800 -1.5167E+01 -6.6155E+00 -1.6340E+01 O6 2530 15.999400 -0.847600 1.2806E+01 -1.1672E+01 2.0008E+00 H1 2531 1.008000 0.423800 1.3121E+01 -1.0891E+01 2.5403E+00 H2 2532 1.008000 0.423800 1.1810E+01 -1.1738E+01 2.0597E+00 O6 2533 15.999400 -0.847600 -2.3468E+00 -1.3204E+01 1.5979E+01 H1 2534 1.008000 0.423800 -1.4939E+00 -1.2869E+01 1.6378E+01 H2 2535 1.008000 0.423800 -3.0912E+00 -1.3089E+01 1.6636E+01 O6 2536 15.999400 -0.847600 2.0834E+00 -3.5778E+00 6.3918E+00 H1 2537 1.008000 0.423800 1.8882E+00 -4.5525E+00 6.5015E+00 H2 2538 1.008000 0.423800 1.6653E+00 -3.0676E+00 7.1434E+00 O6 2539 15.999400 -0.847600 1.1193E+01 1.2714E+01 -1.6717E+01 H1 2540 1.008000 0.423800 1.0357E+01 1.2979E+01 -1.6237E+01 H2 2541 1.008000 0.423800 1.1847E+01 1.2332E+01 -1.6064E+01 O6 2542 15.999400 -0.847600 6.7853E+00 4.4858E+00 1.0184E+01 H1 2543 1.008000 0.423800 7.0965E+00 3.6074E+00 9.8208E+00 H2 2544 1.008000 0.423800 7.5145E+00 5.1633E+00 1.0087E+01 O6 2545 15.999400 -0.847600 1.4750E+01 -2.0449E+00 -1.4552E+01 H1 2546 1.008000 0.423800 1.4420E+01 -2.2547E+00 -1.3632E+01 H2 2547 1.008000 0.423800 1.5480E+01 -2.6828E+00 -1.4798E+01 O6 2548 15.999400 -0.847600 -4.5438E+00 1.7038E+01 -1.1586E+01 H1 2549 1.008000 0.423800 -3.9875E+00 1.7395E+01 -1.2336E+01 H2 2550 1.008000 0.423800 -5.0599E+00 1.6242E+01 -1.1903E+01 O6 2551 15.999400 -0.847600 7.0390E+00 -1.7224E+01 1.1712E+01 H1 2552 1.008000 0.423800 7.5493E+00 -1.7875E+01 1.2274E+01 H2 2553 1.008000 0.423800 7.1553E+00 -1.7454E+01 1.0746E+01 O6 2554 15.999400 -0.847600 2.7538E+00 -4.5281E+00 3.6275E-01 H1 2555 1.008000 0.423800 2.1121E+00 -5.2169E+00 7.0013E-01 H2 2556 1.008000 0.423800 2.6099E+00 -3.6694E+00 8.5460E-01 O6 2557 15.999400 -0.847600 1.4877E+01 -9.8574E+00 -1.3768E+01 H1 2558 1.008000 0.423800 1.5441E+01 -1.0548E+01 -1.4222E+01 H2 2559 1.008000 0.423800 1.5030E+01 -8.9676E+00 -1.4198E+01 O6 2560 15.999400 -0.847600 1.2889E+01 8.2667E+00 -2.1607E+00 H1 2561 1.008000 0.423800 1.1991E+01 8.3890E+00 -1.7372E+00 H2 2562 1.008000 0.423800 1.3584E+01 8.1728E+00 -1.4477E+00 O6 2563 15.999400 -0.847600 -1.0087E+01 1.5158E+01 1.3824E+01 H1 2564 1.008000 0.423800 -1.0270E+01 1.4388E+01 1.3213E+01 H2 2565 1.008000 0.423800 -1.0948E+01 1.5491E+01 1.4209E+01 O6 2566 15.999400 -0.847600 1.5679E+01 -6.9439E+00 7.3798E+00 H1 2567 1.008000 0.423800 1.5135E+01 -7.3178E+00 8.1310E+00 H2 2568 1.008000 0.423800 1.6205E+01 -7.6786E+00 6.9515E+00 O6 2569 15.999400 -0.847600 -1.3928E+00 6.9094E+00 -5.9821E+00 H1 2570 1.008000 0.423800 -1.7804E+00 7.5256E+00 -5.2966E+00 H2 2571 1.008000 0.423800 -1.3801E+00 5.9764E+00 -5.6224E+00 O6 2572 15.999400 -0.847600 -1.6625E+01 -6.5874E+00 -1.9500E+01 H1 2573 1.008000 0.423800 -1.7443E+01 -7.1428E+00 -1.9352E+01 H2 2574 1.008000 0.423800 -1.6253E+01 -6.3013E+00 -1.8617E+01 O6 2575 15.999400 -0.847600 3.7766E+00 1.2855E+01 8.0960E+00 H1 2576 1.008000 0.423800 3.5580E+00 1.3828E+01 8.0140E+00 H2 2577 1.008000 0.423800 4.3144E+00 1.2703E+01 8.9253E+00 O6 2578 15.999400 -0.847600 -5.5294E+00 7.1112E+00 1.5676E+01 H1 2579 1.008000 0.423800 -5.4439E+00 6.1374E+00 1.5887E+01 H2 2580 1.008000 0.423800 -6.1363E+00 7.5443E+00 1.6342E+01 O6 2581 15.999400 -0.847600 1.2127E+01 9.8147E+00 1.0345E+01 H1 2582 1.008000 0.423800 1.2894E+01 9.4861E+00 9.7933E+00 H2 2583 1.008000 0.423800 1.2477E+01 1.0320E+01 1.1134E+01 O6 2584 15.999400 -0.847600 -1.8870E+01 8.0839E-01 -1.8764E+01 H1 2585 1.008000 0.423800 -1.8650E+01 1.7384E+00 -1.9058E+01 H2 2586 1.008000 0.423800 -1.8091E+01 4.2132E-01 -1.8271E+01 O6 2587 15.999400 -0.847600 1.1393E+01 -8.0264E+00 -8.1570E+00 H1 2588 1.008000 0.423800 1.1371E+01 -7.1032E+00 -7.7734E+00 H2 2589 1.008000 0.423800 1.0754E+01 -8.6105E+00 -7.6569E+00 O6 2590 15.999400 -0.847600 4.0513E+00 5.0123E+00 -7.5976E+00 H1 2591 1.008000 0.423800 4.8196E+00 4.3728E+00 -7.6258E+00 H2 2592 1.008000 0.423800 4.3935E+00 5.9373E+00 -7.4327E+00 O6 2593 15.999400 -0.847600 2.9324E+00 9.9499E+00 1.3769E+01 H1 2594 1.008000 0.423800 2.2379E+00 1.0300E+01 1.4397E+01 H2 2595 1.008000 0.423800 2.8050E+00 1.0363E+01 1.2867E+01 O6 2596 15.999400 -0.847600 -1.0606E+01 1.3161E+01 1.2049E+01 H1 2597 1.008000 0.423800 -9.7180E+00 1.2712E+01 1.1954E+01 H2 2598 1.008000 0.423800 -1.1332E+01 1.2473E+01 1.2032E+01 O6 2599 15.999400 -0.847600 -1.6311E+01 1.4595E+01 -5.1261E+00 H1 2600 1.008000 0.423800 -1.5396E+01 1.4205E+01 -5.0223E+00 H2 2601 1.008000 0.423800 -1.6378E+01 1.5056E+01 -6.0108E+00 O6 2602 15.999400 -0.847600 -6.8046E+00 -1.6971E+01 1.8469E+01 H1 2603 1.008000 0.423800 -6.1073E+00 -1.6845E+01 1.9174E+01 H2 2604 1.008000 0.423800 -6.4913E+00 -1.6559E+01 1.7613E+01 O6 2605 15.999400 -0.847600 -1.9331E+01 1.6806E+01 1.6679E+01 H1 2606 1.008000 0.423800 1.9523E+01 1.7485E+01 1.5987E+01 H2 2607 1.008000 0.423800 1.9396E+01 1.5915E+01 1.6416E+01 O6 2608 15.999400 -0.847600 1.6403E+01 5.9184E+00 1.1586E+01 H1 2609 1.008000 0.423800 1.6551E+01 5.8237E+00 1.2570E+01 H2 2610 1.008000 0.423800 1.5516E+01 5.5246E+00 1.1342E+01 O6 2611 15.999400 -0.847600 -1.0822E+00 4.5937E+00 -4.7709E+00 H1 2612 1.008000 0.423800 -1.5132E+00 3.6918E+00 -4.8016E+00 H2 2613 1.008000 0.423800 -2.1464E-01 4.5318E+00 -4.2776E+00 O6 2614 15.999400 -0.847600 5.5376E+00 1.9429E+01 -1.5565E+01 H1 2615 1.008000 0.423800 5.2437E+00 -1.8723E+01 -1.5425E+01 H2 2616 1.008000 0.423800 6.4403E+00 1.9421E+01 -1.5995E+01 O6 2617 15.999400 -0.847600 1.7633E+00 1.4023E+01 1.0943E+00 H1 2618 1.008000 0.423800 1.9265E+00 1.3832E+01 1.2644E-01 H2 2619 1.008000 0.423800 8.2271E-01 1.4339E+01 1.2175E+00 O6 2620 15.999400 -0.847600 1.4907E+01 1.1638E+01 -3.3851E+00 H1 2621 1.008000 0.423800 1.5813E+01 1.1548E+01 -2.9712E+00 H2 2622 1.008000 0.423800 1.4538E+01 1.0729E+01 -3.5800E+00 O6 2623 15.999400 -0.847600 -2.0929E+00 -1.8664E+01 2.3404E+00 H1 2624 1.008000 0.423800 -2.5000E+00 -1.8798E+01 3.2438E+00 H2 2625 1.008000 0.423800 -1.8102E+00 -1.9548E+01 1.9676E+00 O6 2626 15.999400 -0.847600 6.2209E+00 7.4193E+00 -6.1875E+00 H1 2627 1.008000 0.423800 5.7709E+00 7.5563E+00 -5.3050E+00 H2 2628 1.008000 0.423800 6.3596E+00 6.4412E+00 -6.3426E+00 O6 2629 15.999400 -0.847600 -4.8855E+00 -1.3173E+01 -1.4285E+01 H1 2630 1.008000 0.423800 -4.4830E+00 -1.2432E+01 -1.3747E+01 H2 2631 1.008000 0.423800 -5.4667E+00 -1.3734E+01 -1.3696E+01 O6 2632 15.999400 -0.847600 -1.2830E+00 1.7620E+00 8.1967E+00 H1 2633 1.008000 0.423800 -1.6676E+00 2.2303E+00 8.9922E+00 H2 2634 1.008000 0.423800 -2.0156E+00 1.3046E+00 7.6928E+00 O6 2635 15.999400 -0.847600 1.4535E+01 1.5883E+01 1.0395E+01 H1 2636 1.008000 0.423800 1.5514E+01 1.5684E+01 1.0348E+01 H2 2637 1.008000 0.423800 1.4036E+01 1.5049E+01 1.0631E+01 O6 2638 15.999400 -0.847600 -1.8042E+01 -1.3152E+01 -1.4103E+01 H1 2639 1.008000 0.423800 -1.8201E+01 -1.2748E+01 -1.5004E+01 H2 2640 1.008000 0.423800 -1.8728E+01 -1.3859E+01 -1.3929E+01 O6 2641 15.999400 -0.847600 -1.8559E+01 1.4708E+01 1.6423E+00 H1 2642 1.008000 0.423800 -1.8182E+01 1.5613E+01 1.4457E+00 H2 2643 1.008000 0.423800 -1.9095E+01 1.4746E+01 2.4855E+00 O6 2644 15.999400 -0.847600 -1.4398E+00 -4.2379E+00 -7.0092E+00 H1 2645 1.008000 0.423800 -1.5124E+00 -5.2071E+00 -6.7737E+00 H2 2646 1.008000 0.423800 -2.3520E+00 -3.8693E+00 -7.1881E+00 O6 2647 15.999400 -0.847600 -1.7033E+01 7.5589E+00 -8.2178E+00 H1 2648 1.008000 0.423800 -1.7153E+01 6.9895E+00 -9.0312E+00 H2 2649 1.008000 0.423800 -1.7783E+01 8.2176E+00 -8.1592E+00 O6 2650 15.999400 -0.847600 2.8681E+00 1.4296E+01 1.2223E+01 H1 2651 1.008000 0.423800 2.8764E+00 1.3409E+01 1.2685E+01 H2 2652 1.008000 0.423800 2.5952E+00 1.4172E+01 1.1269E+01 O6 2653 15.999400 -0.847600 -3.4440E+00 -6.3356E+00 -1.9505E+01 H1 2654 1.008000 0.423800 -4.1301E+00 -6.7479E+00 1.8994E+01 H2 2655 1.008000 0.423800 -3.1533E+00 -5.4578E+00 1.9212E+01 O6 2656 15.999400 -0.847600 -1.3756E+01 1.1042E+01 1.7130E+01 H1 2657 1.008000 0.423800 -1.3787E+01 1.0800E+01 1.8100E+01 H2 2658 1.008000 0.423800 -1.3131E+01 1.0424E+01 1.6653E+01 O6 2659 15.999400 -0.847600 1.9479E+01 1.5527E+01 -1.5808E+01 H1 2660 1.008000 0.423800 -1.9117E+01 1.6230E+01 -1.6312E+01 H2 2661 1.008000 0.423800 1.9102E+01 1.4861E+01 -1.6452E+01 O6 2662 15.999400 -0.847600 -1.6806E+01 1.3955E+01 -1.9368E+01 H1 2663 1.008000 0.423800 -1.6140E+01 1.4677E+01 1.9539E+01 H2 2664 1.008000 0.423800 -1.7729E+01 1.4339E+01 -1.9393E+01 O6 2665 15.999400 -0.847600 -1.0861E+01 4.8192E+00 1.6390E+01 H1 2666 1.008000 0.423800 -1.0333E+01 5.4295E+00 1.6981E+01 H2 2667 1.008000 0.423800 -1.1643E+01 4.4574E+00 1.6898E+01 O6 2668 15.999400 -0.847600 -6.8674E+00 5.9826E+00 1.8968E+01 H1 2669 1.008000 0.423800 -7.2103E+00 5.7954E+00 -1.9209E+01 H2 2670 1.008000 0.423800 -6.0240E+00 5.4674E+00 1.8815E+01 O6 2671 15.999400 -0.847600 1.8942E+01 7.0007E+00 1.1393E+01 H1 2672 1.008000 0.423800 1.8028E+01 6.6018E+00 1.1319E+01 H2 2673 1.008000 0.423800 1.9385E+01 6.9872E+00 1.0497E+01 O6 2674 15.999400 -0.847600 -1.1479E+01 -1.4494E+01 -1.0746E+01 H1 2675 1.008000 0.423800 -1.1657E+01 -1.5303E+01 -1.0185E+01 H2 2676 1.008000 0.423800 -1.0626E+01 -1.4620E+01 -1.1252E+01 O6 2677 15.999400 -0.847600 1.4618E+01 -4.8277E+00 1.2231E+01 H1 2678 1.008000 0.423800 1.5486E+01 -4.9989E+00 1.2696E+01 H2 2679 1.008000 0.423800 1.4717E+01 -4.0448E+00 1.1617E+01 O6 2680 15.999400 -0.847600 -1.6596E+01 2.7870E+00 3.6006E+00 H1 2681 1.008000 0.423800 -1.7514E+01 3.1603E+00 3.7330E+00 H2 2682 1.008000 0.423800 -1.6574E+01 1.8370E+00 3.9121E+00 O6 2683 15.999400 -0.847600 3.2259E+00 7.9294E+00 -1.0634E+01 H1 2684 1.008000 0.423800 3.8540E+00 7.9020E+00 -9.8561E+00 H2 2685 1.008000 0.423800 3.6425E+00 8.4478E+00 -1.1381E+01 O6 2686 15.999400 -0.847600 -2.7689E+00 1.8107E+01 -9.4677E+00 H1 2687 1.008000 0.423800 -1.8484E+00 1.7743E+01 -9.6093E+00 H2 2688 1.008000 0.423800 -3.2260E+00 1.8210E+01 -1.0351E+01 O6 2689 15.999400 -0.847600 1.8072E+01 5.8384E-01 9.3514E+00 H1 2690 1.008000 0.423800 1.7335E+01 8.4286E-01 8.7269E+00 H2 2691 1.008000 0.423800 1.7880E+01 -3.1926E-01 9.7359E+00 O6 2692 15.999400 -0.847600 1.0653E+01 -1.1666E+01 7.5146E+00 H1 2693 1.008000 0.423800 1.0409E+01 -1.0708E+01 7.3641E+00 H2 2694 1.008000 0.423800 1.1099E+01 -1.2029E+01 6.6966E+00 O6 2695 15.999400 -0.847600 1.0233E+00 -1.3607E+01 -7.1435E-02 H1 2696 1.008000 0.423800 2.8304E-01 -1.3750E+01 -7.2830E-01 H2 2697 1.008000 0.423800 8.4795E-01 -1.2773E+01 4.5175E-01 O6 2698 15.999400 -0.847600 -3.4456E+00 -2.5990E+00 -1.0876E+01 H1 2699 1.008000 0.423800 -4.0857E+00 -2.5790E+00 -1.0107E+01 H2 2700 1.008000 0.423800 -3.8809E+00 -3.0393E+00 -1.1661E+01 O6 2701 15.999400 -0.847600 6.4124E+00 5.6390E+00 -9.9162E+00 H1 2702 1.008000 0.423800 5.7142E+00 6.1901E+00 -9.4591E+00 H2 2703 1.008000 0.423800 6.3649E+00 5.7928E+00 -1.0903E+01 O6 2704 15.999400 -0.847600 -1.7285E+01 -9.0947E+00 -4.6459E+00 H1 2705 1.008000 0.423800 -1.6701E+01 -9.4759E+00 -3.9296E+00 H2 2706 1.008000 0.423800 -1.7447E+01 -9.7881E+00 -5.3481E+00 O6 2707 15.999400 -0.847600 3.9532E-01 4.2223E-02 1.9077E+01 H1 2708 1.008000 0.423800 1.0169E+00 2.1922E-01 1.8314E+01 H2 2709 1.008000 0.423800 -2.9794E-02 -8.5522E-01 1.8959E+01 O6 2710 15.999400 -0.847600 4.2132E+00 -1.3873E+01 -1.2930E+01 H1 2711 1.008000 0.423800 3.5209E+00 -1.3718E+01 -1.3635E+01 H2 2712 1.008000 0.423800 4.2786E+00 -1.3065E+01 -1.2345E+01 O6 2713 15.999400 -0.847600 -1.1441E+01 5.8952E+00 -1.4966E+01 H1 2714 1.008000 0.423800 -1.2170E+01 6.2190E+00 -1.5569E+01 H2 2715 1.008000 0.423800 -1.0563E+01 5.9553E+00 -1.5441E+01 O6 2716 15.999400 -0.847600 -1.2343E+01 8.9918E+00 -1.0448E+01 H1 2717 1.008000 0.423800 -1.2908E+01 8.4907E+00 -1.1103E+01 H2 2718 1.008000 0.423800 -1.2701E+01 9.9191E+00 -1.0339E+01 O6 2719 15.999400 -0.847600 -6.7188E+00 -1.7223E+00 -1.4081E+01 H1 2720 1.008000 0.423800 -7.4303E+00 -1.1953E+00 -1.3616E+01 H2 2721 1.008000 0.423800 -6.7429E+00 -1.5232E+00 -1.5060E+01 O6 2722 15.999400 -0.847600 -1.5586E+01 -2.4827E+00 -1.2170E+01 H1 2723 1.008000 0.423800 -1.6103E+01 -3.3319E+00 -1.2059E+01 H2 2724 1.008000 0.423800 -1.4763E+01 -2.5169E+00 -1.1604E+01 O6 2725 15.999400 -0.847600 1.3218E+01 4.1923E+00 -1.2022E+01 H1 2726 1.008000 0.423800 1.3639E+01 3.6652E+00 -1.2761E+01 H2 2727 1.008000 0.423800 1.2226E+01 4.0693E+00 -1.2048E+01 O6 2728 15.999400 -0.847600 -1.5125E+01 -8.1417E+00 3.8275E+00 H1 2729 1.008000 0.423800 -1.5151E+01 -7.7102E+00 4.7293E+00 H2 2730 1.008000 0.423800 -1.5099E+01 -7.4350E+00 3.1205E+00 O6 2731 15.999400 -0.847600 3.7738E+00 -1.9337E+01 -7.2058E+00 H1 2732 1.008000 0.423800 4.5047E+00 -1.9081E+01 -7.8387E+00 H2 2733 1.008000 0.423800 3.1233E+00 1.9162E+01 -7.6723E+00 O6 2734 15.999400 -0.847600 6.0230E+00 -7.0986E+00 -1.0075E+01 H1 2735 1.008000 0.423800 5.2447E+00 -6.5827E+00 -9.7170E+00 H2 2736 1.008000 0.423800 6.4296E+00 -6.5999E+00 -1.0841E+01 O6 2737 15.999400 -0.847600 -1.6237E+01 -1.0063E+01 -1.0168E+01 H1 2738 1.008000 0.423800 -1.6979E+01 -9.3988E+00 -1.0263E+01 H2 2739 1.008000 0.423800 -1.6272E+01 -1.0711E+01 -1.0929E+01 O6 2740 15.999400 -0.847600 7.2098E+00 -1.1939E+01 9.4297E+00 H1 2741 1.008000 0.423800 8.0458E+00 -1.2041E+01 8.8904E+00 H2 2742 1.008000 0.423800 7.1050E+00 -1.2729E+01 1.0034E+01 O6 2743 15.999400 -0.847600 -1.0158E+01 1.5599E+01 1.8937E+01 H1 2744 1.008000 0.423800 -1.0768E+01 1.4833E+01 1.9141E+01 H2 2745 1.008000 0.423800 -1.0685E+01 1.6345E+01 1.8530E+01 O6 2746 15.999400 -0.847600 2.5599E+00 1.4510E+01 -6.2673E+00 H1 2747 1.008000 0.423800 2.5930E+00 1.5509E+01 -6.2175E+00 H2 2748 1.008000 0.423800 2.3729E+00 1.4137E+01 -5.3585E+00 O6 2749 15.999400 -0.847600 -1.2739E+01 1.6021E+01 1.3883E+01 H1 2750 1.008000 0.423800 -1.3603E+01 1.6417E+01 1.4195E+01 H2 2751 1.008000 0.423800 -1.2320E+01 1.6626E+01 1.3206E+01 O6 2752 15.999400 -0.847600 5.4720E+00 8.5455E+00 1.7671E+01 H1 2753 1.008000 0.423800 6.2692E+00 9.1309E+00 1.7524E+01 H2 2754 1.008000 0.423800 5.5833E+00 8.0400E+00 1.8527E+01 O6 2755 15.999400 -0.847600 4.7028E+00 -3.2799E+00 -8.7497E+00 H1 2756 1.008000 0.423800 4.2979E+00 -4.1615E+00 -8.5069E+00 H2 2757 1.008000 0.423800 3.9905E+00 -2.6707E+00 -9.0984E+00 O6 2758 15.999400 -0.847600 -5.2637E+00 -5.4526E+00 6.4942E+00 H1 2759 1.008000 0.423800 -5.5224E+00 -4.4866E+00 6.4941E+00 H2 2760 1.008000 0.423800 -4.5785E+00 -5.6141E+00 7.2044E+00 O6 2761 15.999400 -0.847600 -1.8655E+01 -5.7614E+00 7.1497E+00 H1 2762 1.008000 0.423800 -1.9540E+01 -5.2983E+00 7.1977E+00 H2 2763 1.008000 0.423800 -1.8480E+01 -6.0494E+00 6.2082E+00 O6 2764 15.999400 -0.847600 1.9256E+01 -1.1831E+01 1.8438E+01 H1 2765 1.008000 0.423800 -1.9400E+01 -1.2638E+01 1.8830E+01 H2 2766 1.008000 0.423800 1.8407E+01 -1.1643E+01 1.8931E+01 O6 2767 15.999400 -0.847600 -7.3984E+00 1.3345E+01 -1.3916E+01 H1 2768 1.008000 0.423800 -7.7114E+00 1.2417E+01 -1.3715E+01 H2 2769 1.008000 0.423800 -6.9649E+00 1.3734E+01 -1.3104E+01 O6 2770 15.999400 -0.847600 1.1851E+01 -9.0432E-01 3.2571E+00 H1 2771 1.008000 0.423800 1.2508E+01 -4.5581E-01 2.6520E+00 H2 2772 1.008000 0.423800 1.2280E+01 -1.7001E+00 3.6844E+00 O6 2773 15.999400 -0.847600 4.6137E+00 1.4092E+01 1.4204E+01 H1 2774 1.008000 0.423800 4.1902E+00 1.4108E+01 1.3298E+01 H2 2775 1.008000 0.423800 4.0513E+00 1.4615E+01 1.4844E+01 O6 2776 15.999400 -0.847600 7.6474E+00 1.1769E+00 -1.4066E+01 H1 2777 1.008000 0.423800 6.7947E+00 1.2973E+00 -1.3558E+01 H2 2778 1.008000 0.423800 7.4567E+00 1.2016E+00 -1.5048E+01 O6 2779 15.999400 -0.847600 8.7194E+00 -1.4851E+01 1.3904E+01 H1 2780 1.008000 0.423800 7.8509E+00 -1.5336E+01 1.3801E+01 H2 2781 1.008000 0.423800 9.0074E+00 -1.4490E+01 1.3017E+01 O6 2782 15.999400 -0.847600 1.5171E+01 1.8674E+01 1.0699E+01 H1 2783 1.008000 0.423800 1.5782E+01 1.9172E+01 1.0085E+01 H2 2784 1.008000 0.423800 1.4715E+01 1.7941E+01 1.0193E+01 O6 2785 15.999400 -0.847600 -6.2772E+00 1.0561E+01 -1.6601E+01 H1 2786 1.008000 0.423800 -6.4206E+00 1.1075E+01 -1.7446E+01 H2 2787 1.008000 0.423800 -5.6633E+00 1.1072E+01 -1.5999E+01 O6 2788 15.999400 -0.847600 1.2077E+01 4.5229E+00 2.3339E+00 H1 2789 1.008000 0.423800 1.2396E+01 4.3491E+00 1.4023E+00 H2 2790 1.008000 0.423800 1.1139E+01 4.1916E+00 2.4321E+00 O6 2791 15.999400 -0.847600 -8.3519E+00 1.1557E+01 -1.1977E+01 H1 2792 1.008000 0.423800 -9.1479E+00 1.1722E+01 -1.1394E+01 H2 2793 1.008000 0.423800 -8.0610E+00 1.0605E+01 -1.1881E+01 O6 2794 15.999400 -0.847600 4.0292E+00 -1.1745E+00 1.7269E+01 H1 2795 1.008000 0.423800 5.0014E+00 -1.0032E+00 1.7429E+01 H2 2796 1.008000 0.423800 3.9258E+00 -1.9375E+00 1.6631E+01 O6 2797 15.999400 -0.847600 -8.4027E+00 1.0608E+01 -4.3949E+00 H1 2798 1.008000 0.423800 -7.6472E+00 9.9528E+00 -4.4152E+00 H2 2799 1.008000 0.423800 -8.7420E+00 1.0696E+01 -3.4584E+00 O6 2800 15.999400 -0.847600 -8.8626E+00 -6.3455E+00 -1.1314E+01 H1 2801 1.008000 0.423800 -8.6454E+00 -7.2188E+00 -1.1750E+01 H2 2802 1.008000 0.423800 -9.8309E+00 -6.3293E+00 -1.1064E+01 O6 2803 15.999400 -0.847600 9.4980E+00 2.5572E+00 4.9939E+00 H1 2804 1.008000 0.423800 8.8347E+00 1.8143E+00 4.9031E+00 H2 2805 1.008000 0.423800 1.0234E+01 2.2734E+00 5.6083E+00 O6 2806 15.999400 -0.847600 9.0144E+00 -8.2597E+00 -1.5295E+01 H1 2807 1.008000 0.423800 9.0293E+00 -7.7250E+00 -1.4450E+01 H2 2808 1.008000 0.423800 8.5508E+00 -7.7381E+00 -1.6011E+01 O6 2809 15.999400 -0.847600 -1.8815E+01 6.6890E+00 -1.7288E+01 H1 2810 1.008000 0.423800 -1.7901E+01 6.9353E+00 -1.7610E+01 H2 2811 1.008000 0.423800 -1.9369E+01 7.5162E+00 -1.7193E+01 O6 2812 15.999400 -0.847600 1.7461E+01 6.1073E+00 5.1716E+00 H1 2813 1.008000 0.423800 1.8188E+01 6.4911E+00 4.6034E+00 H2 2814 1.008000 0.423800 1.7104E+01 5.2777E+00 4.7415E+00 O6 2815 15.999400 -0.847600 -1.7478E+01 1.5216E+01 -1.1477E+01 H1 2816 1.008000 0.423800 -1.7666E+01 1.4384E+01 -1.0956E+01 H2 2817 1.008000 0.423800 -1.7241E+01 1.4973E+01 -1.2418E+01 O6 2818 15.999400 -0.847600 1.0587E+01 7.3589E+00 5.7615E+00 H1 2819 1.008000 0.423800 1.0925E+01 7.9022E+00 6.5300E+00 H2 2820 1.008000 0.423800 1.1304E+01 6.7328E+00 5.4550E+00 O6 2821 15.999400 -0.847600 1.1476E+01 1.0844E+01 -2.9508E+00 H1 2822 1.008000 0.423800 1.1666E+01 1.0777E+01 -3.9302E+00 H2 2823 1.008000 0.423800 1.2038E+01 1.0181E+01 -2.4559E+00 O6 2824 15.999400 -0.847600 -8.3728E+00 -7.1267E-01 -3.6822E+00 H1 2825 1.008000 0.423800 -7.9954E+00 -1.5137E+00 -3.2174E+00 H2 2826 1.008000 0.423800 -8.1600E+00 -7.6254E-01 -4.6580E+00 O6 2827 15.999400 -0.847600 9.4128E+00 -1.5790E+01 4.8517E+00 H1 2828 1.008000 0.423800 8.8564E+00 -1.6461E+01 5.3419E+00 H2 2829 1.008000 0.423800 8.9706E+00 -1.5560E+01 3.9849E+00 O6 2830 15.999400 -0.847600 -5.1515E+00 7.6037E+00 -1.4756E+01 H1 2831 1.008000 0.423800 -5.2238E+00 7.3698E+00 -1.5726E+01 H2 2832 1.008000 0.423800 -4.9261E+00 6.7830E+00 -1.4231E+01 O6 2833 15.999400 -0.847600 -1.0240E+01 5.4903E+00 -3.6499E+00 H1 2834 1.008000 0.423800 -9.9276E+00 6.2051E+00 -3.0241E+00 H2 2835 1.008000 0.423800 -1.0241E+01 5.8435E+00 -4.5855E+00 O6 2836 15.999400 -0.847600 6.7410E+00 -9.8906E+00 1.3397E+01 H1 2837 1.008000 0.423800 6.0343E+00 -9.2399E+00 1.3674E+01 H2 2838 1.008000 0.423800 7.5044E+00 -9.8490E+00 1.4041E+01 O6 2839 15.999400 -0.847600 -1.6856E+01 -6.4110E+00 1.6704E+01 H1 2840 1.008000 0.423800 -1.6677E+01 -6.3254E+00 1.7684E+01 H2 2841 1.008000 0.423800 -1.7543E+01 -7.1216E+00 1.6551E+01 O6 2842 15.999400 -0.847600 -1.8583E+01 -4.2917E+00 1.9239E+00 H1 2843 1.008000 0.423800 -1.9066E+01 -3.4936E+00 2.2839E+00 H2 2844 1.008000 0.423800 -1.9206E+01 -5.0729E+00 1.8929E+00 O6 2845 15.999400 -0.847600 -1.0956E+01 2.9475E+00 -2.9045E+00 H1 2846 1.008000 0.423800 -1.0184E+01 2.4171E+00 -2.5559E+00 H2 2847 1.008000 0.423800 -1.0620E+01 3.7893E+00 -3.3264E+00 O6 2848 15.999400 -0.847600 -7.9549E+00 1.9487E+01 1.1986E+01 H1 2849 1.008000 0.423800 -8.7256E+00 -1.8985E+01 1.2104E+01 H2 2850 1.008000 0.423800 -7.5340E+00 -1.9456E+01 1.1092E+01 O6 2851 15.999400 -0.847600 -1.2232E+01 -3.8006E+00 -1.1987E+01 H1 2852 1.008000 0.423800 -1.3004E+01 -4.4121E+00 -1.2161E+01 H2 2853 1.008000 0.423800 -1.2504E+01 -3.1016E+00 -1.1325E+01 O6 2854 15.999400 -0.847600 -8.6019E+00 1.5355E+01 -1.1031E+01 H1 2855 1.008000 0.423800 -8.9955E+00 1.5177E+01 -1.0129E+01 H2 2856 1.008000 0.423800 -9.3206E+00 1.5303E+01 -1.1725E+01 O6 2857 15.999400 -0.847600 4.2270E+00 -1.0279E+01 1.7960E+01 H1 2858 1.008000 0.423800 3.9168E+00 -1.0681E+01 1.8822E+01 H2 2859 1.008000 0.423800 4.4174E+00 -1.1008E+01 1.7302E+01 O6 2860 15.999400 -0.847600 -4.4710E+00 -4.0477E+00 -1.3159E+00 H1 2861 1.008000 0.423800 -3.4913E+00 -4.1548E+00 -1.4851E+00 H2 2862 1.008000 0.423800 -4.9440E+00 -4.8980E+00 -1.5466E+00 O6 2863 15.999400 -0.847600 4.7651E+00 -3.6899E+00 -1.5234E+01 H1 2864 1.008000 0.423800 4.0757E+00 -4.2209E+00 -1.4741E+01 H2 2865 1.008000 0.423800 5.5960E+00 -3.6278E+00 -1.4681E+01 O6 2866 15.999400 -0.847600 1.0722E+01 -7.6188E+00 4.8944E+00 H1 2867 1.008000 0.423800 1.0352E+01 -6.9255E+00 4.2758E+00 H2 2868 1.008000 0.423800 1.1632E+01 -7.3411E+00 5.2006E+00 O6 2869 15.999400 -0.847600 1.9225E+01 -1.8443E+01 1.7543E+00 H1 2870 1.008000 0.423800 -1.8935E+01 -1.8096E+01 1.7815E+00 H2 2871 1.008000 0.423800 1.8630E+01 -1.7762E+01 1.3268E+00 O6 2872 15.999400 -0.847600 1.4522E+01 1.7835E+01 1.3174E+01 H1 2873 1.008000 0.423800 1.4028E+01 1.6966E+01 1.3206E+01 H2 2874 1.008000 0.423800 1.4809E+01 1.8021E+01 1.2234E+01 O6 2875 15.999400 -0.847600 1.7742E+01 5.8634E+00 -1.8847E+01 H1 2876 1.008000 0.423800 1.8710E+01 6.1033E+00 -1.8928E+01 H2 2877 1.008000 0.423800 1.7658E+01 4.9007E+00 -1.8590E+01 O6 2878 15.999400 -0.847600 -4.8643E-01 -1.1530E+01 -1.7695E+01 H1 2879 1.008000 0.423800 -7.1740E-01 -1.0722E+01 -1.7152E+01 H2 2880 1.008000 0.423800 -1.2891E+00 -1.2121E+01 -1.7770E+01 O6 2881 15.999400 -0.847600 -2.1723E+00 1.8345E+01 1.6154E+01 H1 2882 1.008000 0.423800 -1.7362E+00 1.8003E+01 1.5322E+01 H2 2883 1.008000 0.423800 -1.8308E+00 1.7835E+01 1.6943E+01 O6 2884 15.999400 -0.847600 -8.2798E+00 1.1951E+01 -6.9497E+00 H1 2885 1.008000 0.423800 -8.1655E+00 1.1503E+01 -6.0629E+00 H2 2886 1.008000 0.423800 -7.3914E+00 1.2024E+01 -7.4030E+00 O6 2887 15.999400 -0.847600 -1.0389E+01 9.9429E+00 -1.7896E+01 H1 2888 1.008000 0.423800 -1.1120E+01 9.5551E+00 -1.8457E+01 H2 2889 1.008000 0.423800 -1.0771E+01 1.0279E+01 -1.7036E+01 O6 2890 15.999400 -0.847600 9.0245E+00 8.5952E+00 3.8207E+00 H1 2891 1.008000 0.423800 9.7365E+00 8.1368E+00 4.3526E+00 H2 2892 1.008000 0.423800 8.7853E+00 9.4608E+00 4.2605E+00 O6 2893 15.999400 -0.847600 6.2573E-01 -1.3649E+01 -1.6483E+01 H1 2894 1.008000 0.423800 6.9578E-01 -1.4238E+01 -1.7289E+01 H2 2895 1.008000 0.423800 2.7612E-01 -1.2753E+01 -1.6756E+01 O6 2896 15.999400 -0.847600 -1.3695E+01 1.8437E+01 9.9913E+00 H1 2897 1.008000 0.423800 -1.3765E+01 1.7455E+01 9.8151E+00 H2 2898 1.008000 0.423800 -1.4574E+01 1.8780E+01 1.0322E+01 O6 2899 15.999400 -0.847600 -8.6524E+00 -1.5245E+01 -1.8972E+01 H1 2900 1.008000 0.423800 -8.1182E+00 -1.5477E+01 1.9313E+01 H2 2901 1.008000 0.423800 -8.8952E+00 -1.4275E+01 -1.8999E+01 O6 2902 15.999400 -0.847600 -4.0566E+00 -5.6905E+00 -1.0113E+01 H1 2903 1.008000 0.423800 -4.9236E+00 -6.1802E+00 -1.0206E+01 H2 2904 1.008000 0.423800 -3.9408E+00 -5.3950E+00 -9.1645E+00 O6 2905 15.999400 -0.847600 -1.3801E+01 9.1104E+00 1.0324E+01 H1 2906 1.008000 0.423800 -1.3277E+01 8.4789E+00 9.7524E+00 H2 2907 1.008000 0.423800 -1.4726E+01 9.2033E+00 9.9565E+00 O6 2908 15.999400 -0.847600 4.9067E+00 -1.6956E+01 -1.6135E+01 H1 2909 1.008000 0.423800 4.8537E+00 -1.6365E+01 -1.6940E+01 H2 2910 1.008000 0.423800 5.4331E+00 -1.6497E+01 -1.5419E+01 O6 2911 15.999400 -0.847600 1.6027E+01 -7.9093E+00 -3.8866E+00 H1 2912 1.008000 0.423800 1.6359E+01 -7.3521E+00 -3.1256E+00 H2 2913 1.008000 0.423800 1.6641E+01 -7.8058E+00 -4.6687E+00 O6 2914 15.999400 -0.847600 -1.7592E+01 -1.1261E+00 1.3852E+01 H1 2915 1.008000 0.423800 -1.8092E+01 -1.0853E+00 1.2987E+01 H2 2916 1.008000 0.423800 -1.6631E+01 -1.3360E+00 1.3673E+01 O6 2917 15.999400 -0.847600 2.6845E+00 -4.3737E+00 -5.3000E+00 H1 2918 1.008000 0.423800 3.6647E+00 -4.5349E+00 -5.4152E+00 H2 2919 1.008000 0.423800 2.2470E+00 -5.2073E+00 -4.9630E+00 O6 2920 15.999400 -0.847600 -1.7642E+01 1.6640E+01 -1.5463E+00 H1 2921 1.008000 0.423800 -1.8149E+01 1.5807E+01 -1.7671E+00 H2 2922 1.008000 0.423800 -1.7150E+01 1.6955E+01 -2.3574E+00 O6 2923 15.999400 -0.847600 -9.7762E-01 -1.6136E+01 3.4306E+00 H1 2924 1.008000 0.423800 -9.2255E-01 -1.5726E+01 2.5201E+00 H2 2925 1.008000 0.423800 -1.1790E+00 -1.7112E+01 3.3454E+00 O6 2926 15.999400 -0.847600 1.7250E+01 -3.8531E+00 1.8010E+01 H1 2927 1.008000 0.423800 1.8093E+01 -3.9407E+00 1.8540E+01 H2 2928 1.008000 0.423800 1.6541E+01 -4.4314E+00 1.8413E+01 O6 2929 15.999400 -0.847600 1.8350E+01 1.1752E+01 8.4257E+00 H1 2930 1.008000 0.423800 1.7365E+01 1.1830E+01 8.5800E+00 H2 2931 1.008000 0.423800 1.8523E+01 1.1577E+01 7.4565E+00 O6 2932 15.999400 -0.847600 1.4858E+01 -1.5998E+00 8.2595E+00 H1 2933 1.008000 0.423800 1.5202E+01 -6.6238E-01 8.3150E+00 H2 2934 1.008000 0.423800 1.4616E+01 -1.9206E+00 9.1751E+00 O6 2935 15.999400 -0.847600 3.1651E+00 -1.3078E+01 -1.5436E+01 H1 2936 1.008000 0.423800 3.2893E+00 -1.2087E+01 -1.5486E+01 H2 2937 1.008000 0.423800 2.2968E+00 -1.3327E+01 -1.5864E+01 O6 2938 15.999400 -0.847600 1.8289E+01 -8.6799E+00 -1.6135E+01 H1 2939 1.008000 0.423800 1.8442E+01 -9.4106E+00 -1.5470E+01 H2 2940 1.008000 0.423800 1.7411E+01 -8.2384E+00 -1.5950E+01 O6 2941 15.999400 -0.847600 3.6405E+00 -1.1583E+01 -4.7823E+00 H1 2942 1.008000 0.423800 3.0213E+00 -1.2190E+01 -4.2837E+00 H2 2943 1.008000 0.423800 4.5642E+00 -1.1670E+01 -4.4092E+00 O6 2944 15.999400 -0.847600 1.0192E+01 3.0084E+00 -7.2057E+00 H1 2945 1.008000 0.423800 1.0739E+01 2.2697E+00 -7.6000E+00 H2 2946 1.008000 0.423800 1.0621E+01 3.8877E+00 -7.4138E+00 O6 2947 15.999400 -0.847600 1.0280E+01 1.0150E+01 1.4530E+01 H1 2948 1.008000 0.423800 9.9420E+00 9.2480E+00 1.4264E+01 H2 2949 1.008000 0.423800 1.0606E+01 1.0118E+01 1.5476E+01 O6 2950 15.999400 -0.847600 1.0721E+01 3.1108E-01 1.2471E+01 H1 2951 1.008000 0.423800 9.7636E+00 4.8955E-01 1.2245E+01 H2 2952 1.008000 0.423800 1.0844E+01 3.5775E-01 1.3463E+01 O6 2953 15.999400 -0.847600 -2.5192E+00 1.2267E-01 -3.0505E+00 H1 2954 1.008000 0.423800 -2.4160E+00 -6.6500E-01 -3.6579E+00 H2 2955 1.008000 0.423800 -2.7615E+00 -1.9337E-01 -2.1332E+00 O6 2956 15.999400 -0.847600 5.1727E+00 7.1652E+00 -3.5765E+00 H1 2957 1.008000 0.423800 5.8380E+00 7.2827E+00 -2.8392E+00 H2 2958 1.008000 0.423800 4.5821E+00 6.3848E+00 -3.3712E+00 O6 2959 15.999400 -0.847600 1.7114E+01 -1.3572E+01 1.9324E+00 H1 2960 1.008000 0.423800 1.7059E+01 -1.4569E+01 1.8865E+00 H2 2961 1.008000 0.423800 1.8048E+01 -1.3300E+01 2.1631E+00 O6 2962 15.999400 -0.847600 1.1950E+01 2.7474E+00 1.1715E+01 H1 2963 1.008000 0.423800 1.1547E+01 1.9132E+00 1.2092E+01 H2 2964 1.008000 0.423800 1.1521E+01 2.9565E+00 1.0836E+01 O6 2965 15.999400 -0.847600 -1.3513E+01 -7.6377E+00 -8.8207E+00 H1 2966 1.008000 0.423800 -1.3861E+01 -8.4798E+00 -9.2330E+00 H2 2967 1.008000 0.423800 -1.4009E+01 -7.4526E+00 -7.9723E+00 O6 2968 15.999400 -0.847600 4.0165E+00 5.2619E+00 7.3976E+00 H1 2969 1.008000 0.423800 4.9454E+00 4.9831E+00 7.1537E+00 H2 2970 1.008000 0.423800 3.8476E+00 6.1885E+00 7.0615E+00 O6 2971 15.999400 -0.847600 1.1148E+01 8.8951E+00 -1.9436E+01 H1 2972 1.008000 0.423800 1.0861E+01 8.3923E+00 1.8846E+01 H2 2973 1.008000 0.423800 1.1175E+01 9.8737E+00 1.9457E+01 O6 2974 15.999400 -0.847600 -1.0463E+01 -1.5168E+01 -6.1431E+00 H1 2975 1.008000 0.423800 -1.1392E+01 -1.4801E+01 -6.1815E+00 H2 2976 1.008000 0.423800 -1.0499E+01 -1.6167E+01 -6.1485E+00 O6 2977 15.999400 -0.847600 -7.9872E+00 -8.4896E+00 -1.2378E+01 H1 2978 1.008000 0.423800 -7.7928E+00 -8.6966E+00 -1.3336E+01 H2 2979 1.008000 0.423800 -7.2977E+00 -8.9223E+00 -1.1797E+01 O6 2980 15.999400 -0.847600 1.8036E+01 1.3062E+00 3.2675E+00 H1 2981 1.008000 0.423800 1.8180E+01 1.1986E+00 2.2838E+00 H2 2982 1.008000 0.423800 1.8378E+01 4.9658E-01 3.7448E+00 O6 2983 15.999400 -0.847600 7.3080E+00 5.1688E-01 -1.1255E+01 H1 2984 1.008000 0.423800 6.6829E+00 6.1649E-01 -1.2029E+01 H2 2985 1.008000 0.423800 8.1951E+00 9.1432E-01 -1.1490E+01 O6 2986 15.999400 -0.847600 -1.8709E+01 5.4999E+00 1.3311E+01 H1 2987 1.008000 0.423800 -1.9094E+01 4.6119E+00 1.3562E+01 H2 2988 1.008000 0.423800 -1.9390E+01 6.0270E+00 1.2803E+01 O6 2989 15.999400 -0.847600 1.4113E+01 1.3860E+01 4.0445E+00 H1 2990 1.008000 0.423800 1.3891E+01 1.4180E+01 4.9657E+00 H2 2991 1.008000 0.423800 1.4519E+01 1.2948E+01 4.0971E+00 O6 2992 15.999400 -0.847600 3.2259E+00 1.7183E+01 -5.2918E+00 H1 2993 1.008000 0.423800 3.5331E+00 1.8112E+01 -5.4982E+00 H2 2994 1.008000 0.423800 3.9027E+00 1.6729E+01 -4.7121E+00 O6 2995 15.999400 -0.847600 1.6102E+01 -1.2093E+01 -1.4525E+01 H1 2996 1.008000 0.423800 1.5657E+01 -1.2601E+01 -1.5262E+01 H2 2997 1.008000 0.423800 1.6632E+01 -1.2723E+01 -1.3958E+01 O6 2998 15.999400 -0.847600 -1.3415E+01 6.8912E+00 8.7645E-01 H1 2999 1.008000 0.423800 -1.3072E+01 7.7365E+00 4.6726E-01 H2 3000 1.008000 0.423800 -1.2989E+01 6.1062E+00 4.2722E-01 O6 3001 15.999400 -0.847600 -7.7806E+00 1.5863E+01 -1.8638E+01 H1 3002 1.008000 0.423800 -7.7737E+00 1.5528E+01 -1.7696E+01 H2 3003 1.008000 0.423800 -8.7079E+00 1.5800E+01 -1.9007E+01 O6 3004 15.999400 -0.847600 1.3881E+01 1.8294E+01 1.8792E+01 H1 3005 1.008000 0.423800 1.4854E+01 1.8426E+01 1.8981E+01 H2 3006 1.008000 0.423800 1.3699E+01 1.8485E+01 1.7828E+01 O6 3007 15.999400 -0.847600 -6.8015E+00 3.0603E+00 -1.1831E+01 H1 3008 1.008000 0.423800 -5.9796E+00 2.6156E+00 -1.1475E+01 H2 3009 1.008000 0.423800 -7.3673E+00 3.3744E+00 -1.1069E+01 O6 3010 15.999400 -0.847600 1.9489E+01 -6.1846E+00 -1.8499E+01 H1 3011 1.008000 0.423800 1.8952E+01 -7.0187E+00 -1.8626E+01 H2 3012 1.008000 0.423800 -1.8829E+01 -6.3778E+00 -1.7902E+01 O6 3013 15.999400 -0.847600 1.8752E+01 -6.2940E+00 2.2201E+00 H1 3014 1.008000 0.423800 1.8515E+01 -7.2024E+00 1.8757E+00 H2 3015 1.008000 0.423800 1.8194E+01 -6.0859E+00 3.0234E+00 O6 3016 15.999400 -0.847600 -2.6757E+00 -1.5488E+01 1.4409E+01 H1 3017 1.008000 0.423800 -2.6762E+00 -1.4704E+01 1.5030E+01 H2 3018 1.008000 0.423800 -3.3746E+00 -1.6142E+01 1.4698E+01 O6 3019 15.999400 -0.847600 6.4591E-02 7.5800E+00 1.1418E+01 H1 3020 1.008000 0.423800 1.0535E+00 7.4732E+00 1.1521E+01 H2 3021 1.008000 0.423800 -4.0396E-01 6.8707E+00 1.1945E+01 O6 3022 15.999400 -0.847600 1.5818E+01 -1.6653E+01 -1.9121E+01 H1 3023 1.008000 0.423800 1.4915E+01 -1.6409E+01 -1.9475E+01 H2 3024 1.008000 0.423800 1.6106E+01 -1.5974E+01 -1.8446E+01 O6 3025 15.999400 -0.847600 -7.7537E+00 2.1769E+00 -4.8399E+00 H1 3026 1.008000 0.423800 -7.5183E+00 1.2599E+00 -4.5180E+00 H2 3027 1.008000 0.423800 -8.3771E+00 2.1069E+00 -5.6187E+00 O6 3028 15.999400 -0.847600 -1.2091E+01 2.3725E-01 -8.0860E+00 H1 3029 1.008000 0.423800 -1.2860E+01 3.1413E-01 -7.4506E+00 H2 3030 1.008000 0.423800 -1.2391E+01 4.9435E-01 -9.0046E+00 O6 3031 15.999400 -0.847600 1.4785E+01 1.7902E+01 2.6760E+00 H1 3032 1.008000 0.423800 1.5506E+01 1.7739E+01 3.3504E+00 H2 3033 1.008000 0.423800 1.3891E+01 1.7789E+01 3.1094E+00 O6 3034 15.999400 -0.847600 4.4690E-01 1.1206E+01 -1.5954E+01 H1 3035 1.008000 0.423800 -3.3646E-01 1.1624E+01 -1.6414E+01 H2 3036 1.008000 0.423800 2.1635E-01 1.0271E+01 -1.5686E+01 O6 3037 15.999400 -0.847600 1.6898E+00 -1.8593E+01 -9.7752E-01 H1 3038 1.008000 0.423800 1.1056E+00 -1.7898E+01 -5.5894E-01 H2 3039 1.008000 0.423800 1.7183E+00 -1.9402E+01 -3.9025E-01 O6 3040 15.999400 -0.847600 -1.2005E+01 -1.1517E+01 1.6301E+01 H1 3041 1.008000 0.423800 -1.2542E+01 -1.1362E+01 1.5471E+01 H2 3042 1.008000 0.423800 -1.1403E+01 -1.0734E+01 1.6459E+01 O6 3043 15.999400 -0.847600 -1.9127E+01 -1.5081E+01 2.2656E-01 H1 3044 1.008000 0.423800 -1.8332E+01 -1.5599E+01 5.4244E-01 H2 3045 1.008000 0.423800 1.9158E+01 -1.5662E+01 2.6638E-01 O6 3046 15.999400 -0.847600 1.3000E+01 -1.4443E+00 1.6850E+01 H1 3047 1.008000 0.423800 1.3984E+01 -1.5846E+00 1.6742E+01 H2 3048 1.008000 0.423800 1.2839E+01 -6.4966E-01 1.7436E+01 O6 3049 15.999400 -0.847600 1.1562E+01 -1.0483E+01 -3.4382E-01 H1 3050 1.008000 0.423800 1.1177E+01 -1.0902E+01 4.7833E-01 H2 3051 1.008000 0.423800 1.1505E+01 -9.4872E+00 -2.6819E-01 O6 3052 15.999400 -0.847600 -1.8700E+01 -8.6567E+00 -1.0060E+01 H1 3053 1.008000 0.423800 -1.8782E+01 -7.6632E+00 -9.9813E+00 H2 3054 1.008000 0.423800 1.9510E+01 -9.0802E+00 -9.8804E+00 O6 3055 15.999400 -0.847600 -3.8439E+00 -1.1526E+01 1.4642E+01 H1 3056 1.008000 0.423800 -3.2592E+00 -1.2244E+01 1.5019E+01 H2 3057 1.008000 0.423800 -3.6438E+00 -1.0659E+01 1.5099E+01 O6 3058 15.999400 -0.847600 1.7122E+01 -6.1689E+00 4.3639E+00 H1 3059 1.008000 0.423800 1.7299E+01 -6.8263E+00 5.0965E+00 H2 3060 1.008000 0.423800 1.6301E+01 -6.4420E+00 3.8619E+00 O6 3061 15.999400 -0.847600 1.4988E+01 9.1476E+00 1.3152E+01 H1 3062 1.008000 0.423800 1.4491E+01 8.2832E+00 1.3073E+01 H2 3063 1.008000 0.423800 1.4355E+01 9.9093E+00 1.3014E+01 O6 3064 15.999400 -0.847600 3.7827E+00 -1.1325E+01 -1.8513E+01 H1 3065 1.008000 0.423800 4.5307E+00 -1.1940E+01 -1.8761E+01 H2 3066 1.008000 0.423800 4.1264E+00 -1.0613E+01 -1.7900E+01 O6 3067 15.999400 -0.847600 5.3664E+00 1.5801E+01 8.6094E-01 H1 3068 1.008000 0.423800 6.0969E+00 1.5308E+01 3.8750E-01 H2 3069 1.008000 0.423800 5.4030E+00 1.6769E+01 6.1433E-01 O6 3070 15.999400 -0.847600 -1.5924E+01 -9.5001E+00 -1.3578E+01 H1 3071 1.008000 0.423800 -1.5488E+01 -9.3559E+00 -1.4467E+01 H2 3072 1.008000 0.423800 -1.6299E+01 -1.0426E+01 -1.3537E+01 O6 3073 15.999400 -0.847600 3.8071E+00 -1.5118E+01 3.2448E+00 H1 3074 1.008000 0.423800 4.0713E+00 -1.4159E+01 3.1364E+00 H2 3075 1.008000 0.423800 3.5455E+00 -1.5494E+01 2.3559E+00 O6 3076 15.999400 -0.847600 3.9000E+00 -1.4777E+01 -1.7575E+01 H1 3077 1.008000 0.423800 2.9744E+00 -1.4715E+01 -1.7948E+01 H2 3078 1.008000 0.423800 3.9502E+00 -1.4259E+01 -1.6721E+01 O6 3079 15.999400 -0.847600 -1.6348E+01 1.4699E+01 4.1352E+00 H1 3080 1.008000 0.423800 -1.7038E+01 1.3995E+01 3.9653E+00 H2 3081 1.008000 0.423800 -1.5471E+01 1.4405E+01 3.7562E+00 O6 3082 15.999400 -0.847600 9.9520E+00 1.7918E+01 -4.5977E+00 H1 3083 1.008000 0.423800 1.0699E+01 1.8571E+01 -4.7238E+00 H2 3084 1.008000 0.423800 9.2197E+00 1.8119E+01 -5.2481E+00 O6 3085 15.999400 -0.847600 1.4601E+01 -1.4311E+00 -1.6245E+00 H1 3086 1.008000 0.423800 1.5005E+01 -6.3297E-01 -2.0710E+00 H2 3087 1.008000 0.423800 1.4341E+01 -1.1935E+00 -6.8847E-01 O6 3088 15.999400 -0.847600 -7.1307E+00 7.9224E+00 1.2685E+01 H1 3089 1.008000 0.423800 -7.1920E+00 7.3589E+00 1.1861E+01 H2 3090 1.008000 0.423800 -7.2647E+00 7.3479E+00 1.3492E+01 O6 3091 15.999400 -0.847600 7.7840E+00 6.5984E+00 1.5531E+01 H1 3092 1.008000 0.423800 6.9874E+00 6.7744E+00 1.6109E+01 H2 3093 1.008000 0.423800 7.5863E+00 5.8365E+00 1.4914E+01 O6 3094 15.999400 -0.847600 -6.3872E+00 -1.9176E+01 9.7012E+00 H1 3095 1.008000 0.423800 -6.1975E+00 -1.8211E+01 9.5227E+00 H2 3096 1.008000 0.423800 -6.8272E+00 1.9514E+01 8.9006E+00 O6 3097 15.999400 -0.847600 1.3871E+01 3.4114E+00 -6.6933E+00 H1 3098 1.008000 0.423800 1.4083E+01 3.3888E+00 -7.6705E+00 H2 3099 1.008000 0.423800 1.3340E+01 2.6003E+00 -6.4485E+00 O6 3100 15.999400 -0.847600 -1.7288E+01 -2.3117E+00 -1.8798E+01 H1 3101 1.008000 0.423800 -1.6926E+01 -1.5191E+00 -1.8307E+01 H2 3102 1.008000 0.423800 -1.6668E+01 -2.5534E+00 -1.9544E+01 O6 3103 15.999400 -0.847600 1.0509E+01 1.1853E+01 -8.6494E+00 H1 3104 1.008000 0.423800 1.0659E+01 1.2810E+01 -8.4006E+00 H2 3105 1.008000 0.423800 9.8588E+00 1.1804E+01 -9.4073E+00 O6 3106 15.999400 -0.847600 2.0848E+00 1.2008E+01 3.0688E+00 H1 3107 1.008000 0.423800 1.9475E+00 1.2670E+01 2.3319E+00 H2 3108 1.008000 0.423800 2.9621E+00 1.1545E+01 2.9417E+00 O6 3109 15.999400 -0.847600 1.4804E+01 4.0837E+00 5.4851E+00 H1 3110 1.008000 0.423800 1.4992E+01 3.9663E+00 6.4603E+00 H2 3111 1.008000 0.423800 1.5559E+01 3.7022E+00 4.9519E+00 O6 3112 15.999400 -0.847600 -9.5151E+00 6.5399E+00 1.8109E+01 H1 3113 1.008000 0.423800 -8.6333E+00 6.2018E+00 1.8438E+01 H2 3114 1.008000 0.423800 -9.3664E+00 7.3106E+00 1.7489E+01 O6 3115 15.999400 -0.847600 -1.6114E+01 1.7440E+01 -1.0841E+01 H1 3116 1.008000 0.423800 -1.6681E+01 1.6634E+01 -1.1014E+01 H2 3117 1.008000 0.423800 -1.6679E+01 1.8263E+01 -1.0899E+01 O6 3118 15.999400 -0.847600 3.0862E+00 4.3698E+00 -5.0602E+00 H1 3119 1.008000 0.423800 3.5349E+00 3.4878E+00 -4.9161E+00 H2 3120 1.008000 0.423800 3.0787E+00 4.5842E+00 -6.0369E+00 O6 3121 15.999400 -0.847600 4.8878E+00 1.7117E+00 -4.5717E+00 H1 3122 1.008000 0.423800 4.6055E+00 1.2146E+00 -5.3922E+00 H2 3123 1.008000 0.423800 4.3204E+00 1.4284E+00 -3.7986E+00 O6 3124 15.999400 -0.847600 1.7457E+01 7.5096E+00 1.5852E+01 H1 3125 1.008000 0.423800 1.7336E+01 6.7110E+00 1.5262E+01 H2 3126 1.008000 0.423800 1.8432E+01 7.6599E+00 1.6014E+01 O6 3127 15.999400 -0.847600 -1.3169E+01 -1.8328E+01 1.3655E+01 H1 3128 1.008000 0.423800 -1.4033E+01 -1.8765E+01 1.3404E+01 H2 3129 1.008000 0.423800 -1.3289E+01 -1.7335E+01 1.3666E+01 O6 3130 15.999400 -0.847600 1.4733E+01 1.1054E+01 4.3082E+00 H1 3131 1.008000 0.423800 1.3920E+01 1.0503E+01 4.1176E+00 H2 3132 1.008000 0.423800 1.5165E+01 1.0730E+01 5.1500E+00 O6 3133 15.999400 -0.847600 7.1034E+00 -7.5388E+00 9.7748E+00 H1 3134 1.008000 0.423800 6.1185E+00 -7.4771E+00 9.6129E+00 H2 3135 1.008000 0.423800 7.3034E+00 -8.3643E+00 1.0303E+01 O6 3136 15.999400 -0.847600 -1.4199E+01 -1.8877E+01 1.8971E+01 H1 3137 1.008000 0.423800 -1.3507E+01 -1.8660E+01 1.8283E+01 H2 3138 1.008000 0.423800 -1.4657E+01 1.9366E+01 1.8726E+01 O6 3139 15.999400 -0.847600 -6.2227E+00 -1.6302E+01 -5.0850E+00 H1 3140 1.008000 0.423800 -6.8819E+00 -1.6623E+01 -5.7651E+00 H2 3141 1.008000 0.423800 -5.9409E+00 -1.5369E+01 -5.3081E+00 O6 3142 15.999400 -0.847600 1.4014E+01 8.9271E+00 8.6493E+00 H1 3143 1.008000 0.423800 1.4897E+01 8.9810E+00 9.1154E+00 H2 3144 1.008000 0.423800 1.4148E+01 8.5809E+00 7.7207E+00 O6 3145 15.999400 -0.847600 -9.9433E+00 1.4068E+00 3.8039E+00 H1 3146 1.008000 0.423800 -9.0899E+00 1.8951E+00 3.6210E+00 H2 3147 1.008000 0.423800 -9.7728E+00 4.2156E-01 3.7908E+00 O6 3148 15.999400 -0.847600 -1.2819E+01 -1.1825E+01 -1.5509E+01 H1 3149 1.008000 0.423800 -1.2871E+01 -1.2207E+01 -1.4586E+01 H2 3150 1.008000 0.423800 -1.2609E+01 -1.2554E+01 -1.6160E+01 O6 3151 15.999400 -0.847600 -3.4944E-01 -1.8586E+01 -8.2110E+00 H1 3152 1.008000 0.423800 -3.5579E-01 -1.8436E+01 -9.1997E+00 H2 3153 1.008000 0.423800 -4.4406E-01 1.9534E+01 -8.0218E+00 O6 3154 15.999400 -0.847600 5.2136E+00 -1.5658E+01 5.7434E+00 H1 3155 1.008000 0.423800 4.4074E+00 -1.5761E+01 6.3259E+00 H2 3156 1.008000 0.423800 4.9323E+00 -1.5648E+01 4.7838E+00 O6 3157 15.999400 -0.847600 -2.5985E+00 8.8078E+00 1.0106E+01 H1 3158 1.008000 0.423800 -1.6906E+00 8.4452E+00 9.8955E+00 H2 3159 1.008000 0.423800 -2.6822E+00 8.9444E+00 1.1093E+01 O6 3160 15.999400 -0.847600 -2.9637E+00 1.7188E+01 5.2797E+00 H1 3161 1.008000 0.423800 -3.4007E+00 1.6596E+01 5.9571E+00 H2 3162 1.008000 0.423800 -1.9756E+00 1.7197E+01 5.4333E+00 O6 3163 15.999400 -0.847600 -1.4259E+01 1.1581E+00 -6.6594E+00 H1 3164 1.008000 0.423800 -1.4233E+01 1.8298E+00 -7.3998E+00 H2 3165 1.008000 0.423800 -1.3887E+01 1.5664E+00 -5.8258E+00 O6 3166 15.999400 -0.847600 -5.4939E+00 -1.8245E-02 -5.9978E+00 H1 3167 1.008000 0.423800 -4.9192E+00 5.2563E-01 -6.6094E+00 H2 3168 1.008000 0.423800 -5.3866E+00 3.1060E-01 -5.0596E+00 O6 3169 15.999400 -0.847600 -7.1195E+00 4.6126E+00 4.6059E+00 H1 3170 1.008000 0.423800 -6.1500E+00 4.8421E+00 4.5200E+00 H2 3171 1.008000 0.423800 -7.4062E+00 4.0750E+00 3.8129E+00 O6 3172 15.999400 -0.847600 1.0906E+01 8.4746E+00 -6.3923E+00 H1 3173 1.008000 0.423800 1.1658E+01 8.0627E+00 -6.9074E+00 H2 3174 1.008000 0.423800 1.0092E+01 8.5228E+00 -6.9714E+00 O6 3175 15.999400 -0.847600 1.0884E+01 -3.5930E+00 1.9538E+01 H1 3176 1.008000 0.423800 9.9307E+00 -3.5413E+00 -1.9264E+01 H2 3177 1.008000 0.423800 1.1340E+01 -4.3462E+00 -1.9086E+01 O6 3178 15.999400 -0.847600 1.7784E+01 1.5341E+01 -8.5738E+00 H1 3179 1.008000 0.423800 1.8211E+01 1.4599E+01 -9.0910E+00 H2 3180 1.008000 0.423800 1.6812E+01 1.5391E+01 -8.8044E+00 O6 3181 15.999400 -0.847600 -7.5863E+00 -7.1792E+00 1.9670E+00 H1 3182 1.008000 0.423800 -7.6838E+00 -6.2210E+00 2.2359E+00 H2 3183 1.008000 0.423800 -7.0249E+00 -7.2382E+00 1.1416E+00 O6 3184 15.999400 -0.847600 7.4294E-01 9.9729E+00 1.7628E+00 H1 3185 1.008000 0.423800 1.2043E+00 1.0499E+01 2.4773E+00 H2 3186 1.008000 0.423800 9.6348E-01 1.0361E+01 8.6811E-01 O6 3187 15.999400 -0.847600 -1.6338E+01 9.0880E+00 1.8010E+01 H1 3188 1.008000 0.423800 -1.7322E+01 9.0294E+00 1.7841E+01 H2 3189 1.008000 0.423800 -1.5964E+01 9.8800E+00 1.7528E+01 O6 3190 15.999400 -0.847600 -7.9315E+00 -8.9332E+00 -1.5155E+01 H1 3191 1.008000 0.423800 -7.5246E+00 -9.8350E+00 -1.5301E+01 H2 3192 1.008000 0.423800 -7.2347E+00 -8.2280E+00 -1.5286E+01 O6 3193 15.999400 -0.847600 -1.4092E+01 -1.8905E+01 -9.2162E-01 H1 3194 1.008000 0.423800 -1.3204E+01 -1.9288E+01 -6.6656E-01 H2 3195 1.008000 0.423800 -1.3991E+01 -1.8348E+01 -1.7458E+00 O6 3196 15.999400 -0.847600 1.3289E+01 -1.0004E+01 7.7515E+00 H1 3197 1.008000 0.423800 1.2444E+01 -9.4789E+00 7.6527E+00 H2 3198 1.008000 0.423800 1.3190E+01 -1.0885E+01 7.2889E+00 O6 3199 15.999400 -0.847600 1.7741E+00 -1.3672E+01 -4.1721E+00 H1 3200 1.008000 0.423800 1.6310E+00 -1.4538E+01 -3.6930E+00 H2 3201 1.008000 0.423800 1.1334E+00 -1.3604E+01 -4.9368E+00 O6 3202 15.999400 -0.847600 1.5795E+01 -1.6774E+01 -1.0785E+01 H1 3203 1.008000 0.423800 1.6740E+01 -1.6961E+01 -1.1054E+01 H2 3204 1.008000 0.423800 1.5265E+01 -1.6514E+01 -1.1592E+01 O6 3205 15.999400 -0.847600 -1.6604E+01 7.2835E+00 -1.8869E+01 H1 3206 1.008000 0.423800 -1.6675E+01 7.9443E+00 1.9482E+01 H2 3207 1.008000 0.423800 -1.5677E+01 7.3030E+00 -1.8493E+01 O6 3208 15.999400 -0.847600 1.3886E+00 2.2914E+00 4.2950E+00 H1 3209 1.008000 0.423800 1.0130E+00 2.2775E+00 5.2217E+00 H2 3210 1.008000 0.423800 8.3362E-01 1.7083E+00 3.7017E+00 O6 3211 15.999400 -0.847600 1.7562E+01 1.1170E+01 -2.8126E+00 H1 3212 1.008000 0.423800 1.8222E+01 1.0932E+01 -2.1003E+00 H2 3213 1.008000 0.423800 1.7928E+01 1.1915E+01 -3.3712E+00 O6 3214 15.999400 -0.847600 -1.5532E+01 -1.0026E+01 -2.7805E+00 H1 3215 1.008000 0.423800 -1.5044E+01 -1.0798E+01 -3.1881E+00 H2 3216 1.008000 0.423800 -1.5085E+01 -9.7635E+00 -1.9254E+00 O6 3217 15.999400 -0.847600 -1.3697E+01 -6.0211E+00 -8.1597E-01 H1 3218 1.008000 0.423800 -1.3620E+01 -6.8640E+00 -1.3486E+00 H2 3219 1.008000 0.423800 -1.4651E+01 -5.7217E+00 -8.0213E-01 O6 3220 15.999400 -0.847600 2.1351E+00 -9.2407E-01 8.3844E+00 H1 3221 1.008000 0.423800 2.3717E+00 -3.8046E-01 7.5791E+00 H2 3222 1.008000 0.423800 1.4790E+00 -4.1982E-01 8.9458E+00 O6 3223 15.999400 -0.847600 -8.9168E+00 -1.3759E+01 -2.3988E+00 H1 3224 1.008000 0.423800 -9.2262E+00 -1.3408E+01 -3.2827E+00 H2 3225 1.008000 0.423800 -8.1233E+00 -1.3234E+01 -2.0911E+00 O6 3226 15.999400 -0.847600 1.0921E+01 1.1755E+01 4.8883E+00 H1 3227 1.008000 0.423800 1.1367E+01 1.2033E+01 4.0376E+00 H2 3228 1.008000 0.423800 1.1396E+01 1.2169E+01 5.6646E+00 O6 3229 15.999400 -0.847600 1.4703E+01 -6.0423E+00 -7.9349E+00 H1 3230 1.008000 0.423800 1.3749E+01 -5.8687E+00 -7.6931E+00 H2 3231 1.008000 0.423800 1.4911E+01 -7.0108E+00 -7.7977E+00 O6 3232 15.999400 -0.847600 -5.4212E+00 -6.9546E+00 1.5441E+01 H1 3233 1.008000 0.423800 -5.3350E+00 -6.0579E+00 1.5006E+01 H2 3234 1.008000 0.423800 -6.0029E+00 -7.5426E+00 1.4878E+01 O6 3235 15.999400 -0.847600 -1.7235E+01 6.5874E+00 -1.0759E+01 H1 3236 1.008000 0.423800 -1.7455E+01 6.8688E+00 -1.1693E+01 H2 3237 1.008000 0.423800 -1.6747E+01 5.7147E+00 -1.0780E+01 O6 3238 15.999400 -0.847600 1.6145E+01 -1.6585E+01 -2.9122E+00 H1 3239 1.008000 0.423800 1.6761E+01 -1.7316E+01 -2.6185E+00 H2 3240 1.008000 0.423800 1.5720E+01 -1.6165E+01 -2.1104E+00 O6 3241 15.999400 -0.847600 1.7288E+01 5.2509E+00 -1.2506E+01 H1 3242 1.008000 0.423800 1.6686E+01 5.5066E+00 -1.3262E+01 H2 3243 1.008000 0.423800 1.7765E+01 4.4014E+00 -1.2732E+01 O6 3244 15.999400 -0.847600 1.7130E+01 -1.6776E+01 -1.4887E+01 H1 3245 1.008000 0.423800 1.7334E+01 -1.7745E+01 -1.5030E+01 H2 3246 1.008000 0.423800 1.6232E+01 -1.6685E+01 -1.4458E+01 O6 3247 15.999400 -0.847600 -7.3464E+00 1.8895E+01 7.2880E+00 H1 3248 1.008000 0.423800 -7.3190E+00 1.7907E+01 7.4414E+00 H2 3249 1.008000 0.423800 -8.2076E+00 1.9139E+01 6.8424E+00 O6 3250 15.999400 -0.847600 -3.0339E+00 5.6021E+00 -3.1400E+00 H1 3251 1.008000 0.423800 -3.8266E+00 5.7135E+00 -3.7393E+00 H2 3252 1.008000 0.423800 -2.3032E+00 5.1345E+00 -3.6374E+00 O6 3253 15.999400 -0.847600 -1.6695E+01 -1.1918E+01 -1.1865E+01 H1 3254 1.008000 0.423800 -1.6464E+01 -1.2742E+01 -1.1347E+01 H2 3255 1.008000 0.423800 -1.7254E+01 -1.2167E+01 -1.2656E+01 O6 3256 15.999400 -0.847600 1.4428E+01 -5.8680E+00 1.5509E+01 H1 3257 1.008000 0.423800 1.3860E+01 -5.1038E+00 1.5203E+01 H2 3258 1.008000 0.423800 1.5322E+01 -5.8179E+00 1.5063E+01 O6 3259 15.999400 -0.847600 -8.5483E+00 1.2439E+01 -1.9181E+01 H1 3260 1.008000 0.423800 -9.0211E+00 1.2937E+01 1.9190E+01 H2 3261 1.008000 0.423800 -8.6503E+00 1.1455E+01 -1.9330E+01 O6 3262 15.999400 -0.847600 -1.1728E+01 1.8068E+01 1.2546E+01 H1 3263 1.008000 0.423800 -1.1643E+01 1.8035E+01 1.1550E+01 H2 3264 1.008000 0.423800 -1.2213E+01 1.8901E+01 1.2811E+01 O6 3265 15.999400 -0.847600 -5.4741E+00 4.6657E+00 -9.6306E+00 H1 3266 1.008000 0.423800 -6.4424E+00 4.8714E+00 -9.7726E+00 H2 3267 1.008000 0.423800 -5.3025E+00 4.5267E+00 -8.6553E+00 O6 3268 15.999400 -0.847600 1.0177E+01 -1.8465E+01 -1.7614E+01 H1 3269 1.008000 0.423800 1.0699E+01 -1.8250E+01 -1.8440E+01 H2 3270 1.008000 0.423800 1.0102E+01 -1.7647E+01 -1.7045E+01 O6 3271 15.999400 -0.847600 8.5905E-01 -4.4979E+00 1.6968E+01 H1 3272 1.008000 0.423800 1.5481E+00 -4.2406E+00 1.6290E+01 H2 3273 1.008000 0.423800 1.3122E+00 -4.7801E+00 1.7813E+01 O6 3274 15.999400 -0.847600 3.5167E+00 -1.7336E+01 1.6927E+01 H1 3275 1.008000 0.423800 2.7761E+00 -1.6807E+01 1.6513E+01 H2 3276 1.008000 0.423800 3.4532E+00 -1.8288E+01 1.6628E+01 O6 3277 15.999400 -0.847600 8.8887E+00 7.9576E+00 -1.8156E+01 H1 3278 1.008000 0.423800 9.3267E+00 7.3313E+00 -1.7511E+01 H2 3279 1.008000 0.423800 9.5806E+00 8.3488E+00 -1.8762E+01 O6 3280 15.999400 -0.847600 1.7531E+00 1.4446E+00 -1.4316E+01 H1 3281 1.008000 0.423800 1.2991E+00 2.3241E+00 -1.4174E+01 H2 3282 1.008000 0.423800 1.0754E+00 7.1010E-01 -1.4280E+01 O6 3283 15.999400 -0.847600 -1.1175E+01 3.0562E+00 1.1654E+01 H1 3284 1.008000 0.423800 -1.0782E+01 2.1655E+00 1.1424E+01 H2 3285 1.008000 0.423800 -1.1859E+01 2.9434E+00 1.2374E+01 O6 3286 15.999400 -0.847600 1.8836E+01 -1.0654E+01 -1.4304E+01 H1 3287 1.008000 0.423800 1.9010E+01 -1.0193E+01 -1.3434E+01 H2 3288 1.008000 0.423800 1.7971E+01 -1.1153E+01 -1.4249E+01 O6 3289 15.999400 -0.847600 -1.5304E+01 -1.6216E+01 -1.0926E+01 H1 3290 1.008000 0.423800 -1.4997E+01 -1.6676E+01 -1.0092E+01 H2 3291 1.008000 0.423800 -1.5835E+01 -1.6855E+01 -1.1483E+01 O6 3292 15.999400 -0.847600 6.6468E+00 1.0359E+01 1.0654E+01 H1 3293 1.008000 0.423800 6.8409E+00 9.6669E+00 1.1349E+01 H2 3294 1.008000 0.423800 7.3971E+00 1.1019E+01 1.0622E+01 O6 3295 15.999400 -0.847600 -9.2581E+00 8.2074E+00 1.5897E+01 H1 3296 1.008000 0.423800 -8.9560E+00 7.3437E+00 1.5494E+01 H2 3297 1.008000 0.423800 -8.4603E+00 8.7631E+00 1.6131E+01 O6 3298 15.999400 -0.847600 -1.4562E+01 1.1873E-01 -2.9165E+00 H1 3299 1.008000 0.423800 -1.4596E+01 6.4831E-02 -1.9185E+00 H2 3300 1.008000 0.423800 -1.4495E+01 -8.0322E-01 -3.2979E+00 O6 3301 15.999400 -0.847600 -1.0611E+01 -9.6319E+00 -1.4988E+01 H1 3302 1.008000 0.423800 -9.6411E+00 -9.4496E+00 -1.5151E+01 H2 3303 1.008000 0.423800 -1.0918E+01 -1.0366E+01 -1.5594E+01 O6 3304 15.999400 -0.847600 -1.2019E+01 -5.6706E+00 4.9078E+00 H1 3305 1.008000 0.423800 -1.2979E+01 -5.4110E+00 4.8076E+00 H2 3306 1.008000 0.423800 -1.1958E+01 -6.6413E+00 5.1402E+00 O6 3307 15.999400 -0.847600 6.4439E+00 -1.2115E+00 -6.0338E-01 H1 3308 1.008000 0.423800 7.0438E+00 -8.3034E-01 -1.3069E+00 H2 3309 1.008000 0.423800 6.2385E+00 -2.1655E+00 -8.2166E-01 O6 3310 15.999400 -0.847600 -1.4129E+01 6.6263E+00 1.4409E+01 H1 3311 1.008000 0.423800 -1.4943E+01 6.3088E+00 1.3922E+01 H2 3312 1.008000 0.423800 -1.3319E+01 6.1770E+00 1.4033E+01 O6 3313 15.999400 -0.847600 7.6697E+00 1.5740E+01 -1.3980E+01 H1 3314 1.008000 0.423800 8.3162E+00 1.6502E+01 -1.3936E+01 H2 3315 1.008000 0.423800 6.8566E+00 1.5961E+01 -1.3442E+01 O6 3316 15.999400 -0.847600 -1.0470E+01 9.0516E+00 1.0940E+01 H1 3317 1.008000 0.423800 -1.1323E+01 8.7662E+00 1.0503E+01 H2 3318 1.008000 0.423800 -1.0674E+01 9.6719E+00 1.1697E+01 O6 3319 15.999400 -0.847600 -2.6183E-01 -1.8421E+01 -1.4914E+01 H1 3320 1.008000 0.423800 3.9692E-01 -1.8255E+01 -1.5648E+01 H2 3321 1.008000 0.423800 -7.1762E-01 -1.7564E+01 -1.4675E+01 O6 3322 15.999400 -0.847600 -6.7899E+00 -3.2128E+00 -5.6594E+00 H1 3323 1.008000 0.423800 -7.3011E+00 -3.8699E+00 -6.2133E+00 H2 3324 1.008000 0.423800 -7.1416E+00 -2.2916E+00 -5.8261E+00 O6 3325 15.999400 -0.847600 8.2419E+00 -1.3919E-01 1.9030E+01 H1 3326 1.008000 0.423800 8.6921E+00 -5.2591E-01 1.8225E+01 H2 3327 1.008000 0.423800 7.4125E+00 3.4323E-01 1.8748E+01 O6 3328 15.999400 -0.847600 1.9059E+01 -1.2283E+01 -8.6415E+00 H1 3329 1.008000 0.423800 -1.9046E+01 -1.2184E+01 -8.5656E+00 H2 3330 1.008000 0.423800 1.8656E+01 -1.1404E+01 -8.8979E+00 O6 3331 15.999400 -0.847600 5.7169E+00 -7.0042E+00 1.8292E+01 H1 3332 1.008000 0.423800 5.3519E+00 -6.9045E+00 1.9218E+01 H2 3333 1.008000 0.423800 4.9682E+00 -7.1959E+00 1.7658E+01 O6 3334 15.999400 -0.847600 7.2688E+00 -3.0177E+00 2.8589E+00 H1 3335 1.008000 0.423800 7.9672E+00 -3.0630E+00 2.1447E+00 H2 3336 1.008000 0.423800 7.0312E+00 -2.0620E+00 3.0326E+00 O6 3337 15.999400 -0.847600 1.0658E+01 -4.5783E+00 1.1943E+01 H1 3338 1.008000 0.423800 9.7924E+00 -4.9626E+00 1.1622E+01 H2 3339 1.008000 0.423800 1.1415E+01 -5.1456E+00 1.1619E+01 O6 3340 15.999400 -0.847600 1.0855E+01 -1.1850E+01 1.8565E+01 H1 3341 1.008000 0.423800 1.0702E+01 -1.2735E+01 1.9004E+01 H2 3342 1.008000 0.423800 1.1688E+01 -1.1891E+01 1.8013E+01 O6 3343 15.999400 -0.847600 1.5913E+01 -1.0980E+01 -6.1209E+00 H1 3344 1.008000 0.423800 1.6883E+01 -1.0813E+01 -6.2978E+00 H2 3345 1.008000 0.423800 1.5720E+01 -1.0829E+01 -5.1515E+00 O6 3346 15.999400 -0.847600 8.1188E+00 -1.1179E+01 -5.4703E+00 H1 3347 1.008000 0.423800 8.4896E+00 -1.2012E+01 -5.0600E+00 H2 3348 1.008000 0.423800 7.3192E+00 -1.0879E+01 -4.9503E+00 O6 3349 15.999400 -0.847600 -1.4307E+00 -8.6572E+00 -1.2723E+01 H1 3350 1.008000 0.423800 -1.6963E+00 -7.9153E+00 -1.3338E+01 H2 3351 1.008000 0.423800 -5.6781E-01 -8.4249E+00 -1.2274E+01 O6 3352 15.999400 -0.847600 -3.7261E+00 1.3035E+01 4.2060E+00 H1 3353 1.008000 0.423800 -2.8765E+00 1.3487E+01 3.9341E+00 H2 3354 1.008000 0.423800 -3.7058E+00 1.2851E+01 5.1887E+00 O6 3355 15.999400 -0.847600 1.2063E+01 -5.5407E+00 -6.6380E+00 H1 3356 1.008000 0.423800 1.1267E+01 -4.9357E+00 -6.6717E+00 H2 3357 1.008000 0.423800 1.2488E+01 -5.4815E+00 -5.7351E+00 O6 3358 15.999400 -0.847600 1.4153E+01 6.2237E+00 -1.3637E+01 H1 3359 1.008000 0.423800 1.3495E+01 6.8962E+00 -1.3300E+01 H2 3360 1.008000 0.423800 1.4024E+01 5.3584E+00 -1.3153E+01 O6 3361 15.999400 -0.847600 5.0160E+00 2.0539E+00 -1.8366E+01 H1 3362 1.008000 0.423800 5.7162E+00 1.5837E+00 -1.7828E+01 H2 3363 1.008000 0.423800 4.1475E+00 1.5656E+00 -1.8282E+01 O6 3364 15.999400 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6.5746E+00 H2 3381 1.008000 0.423800 7.4593E+00 4.1226E+00 7.7458E+00 O6 3382 15.999400 -0.847600 -6.0465E+00 -2.8668E+00 6.6465E+00 H1 3383 1.008000 0.423800 -6.4088E+00 -1.9736E+00 6.3800E+00 H2 3384 1.008000 0.423800 -6.4545E+00 -3.1461E+00 7.5157E+00 O6 3385 15.999400 -0.847600 -1.0551E+01 -9.4172E+00 1.1805E+01 H1 3386 1.008000 0.423800 -1.1537E+01 -9.2493E+00 1.1814E+01 H2 3387 1.008000 0.423800 -1.0331E+01 -1.0148E+01 1.2451E+01 O6 3388 15.999400 -0.847600 1.2424E+01 -1.8460E+00 -1.6198E+01 H1 3389 1.008000 0.423800 1.3388E+01 -2.0437E+00 -1.6021E+01 H2 3390 1.008000 0.423800 1.2324E+01 -1.4739E+00 -1.7121E+01 O6 3391 15.999400 -0.847600 -1.0400E+01 8.3619E+00 4.6597E+00 H1 3392 1.008000 0.423800 -9.6182E+00 8.5982E+00 5.2369E+00 H2 3393 1.008000 0.423800 -1.0215E+01 7.5016E+00 4.1845E+00 O6 3394 15.999400 -0.847600 -1.7854E+01 1.8618E+01 2.6520E+00 H1 3395 1.008000 0.423800 -1.8820E+01 1.8360E+01 2.6186E+00 H2 3396 1.008000 0.423800 -1.7309E+01 1.7933E+01 2.1684E+00 O6 3397 15.999400 -0.847600 1.5874E+01 8.9229E-01 1.7463E+01 H1 3398 1.008000 0.423800 1.5741E+01 -9.8142E-02 1.7427E+01 H2 3399 1.008000 0.423800 1.5356E+01 1.2702E+00 1.8231E+01 O6 3400 15.999400 -0.847600 -7.0762E+00 1.6523E+01 -1.3308E+01 H1 3401 1.008000 0.423800 -7.3525E+00 1.6134E+01 -1.2429E+01 H2 3402 1.008000 0.423800 -7.8648E+00 1.6553E+01 -1.3922E+01 O6 3403 15.999400 -0.847600 -5.8820E-01 1.6627E+01 -8.1735E+00 H1 3404 1.008000 0.423800 -3.3186E-01 1.5713E+01 -7.8581E+00 H2 3405 1.008000 0.423800 -3.3674E-01 1.6730E+01 -9.1359E+00 O6 3406 15.999400 -0.847600 -1.6547E+01 -1.5271E+01 -7.5361E+00 H1 3407 1.008000 0.423800 -1.6978E+01 -1.4772E+01 -6.7845E+00 H2 3408 1.008000 0.423800 -1.6738E+01 -1.4804E+01 -8.3995E+00 O6 3409 15.999400 -0.847600 -1.0846E+01 -4.5143E+00 2.3236E+00 H1 3410 1.008000 0.423800 -1.1348E+01 -4.9075E+00 3.0935E+00 H2 3411 1.008000 0.423800 -9.9121E+00 -4.2996E+00 2.6100E+00 O6 3412 15.999400 -0.847600 1.0683E+00 -1.0096E+01 5.7574E+00 H1 3413 1.008000 0.423800 2.0061E+00 -9.8964E+00 6.0419E+00 H2 3414 1.008000 0.423800 1.0763E+00 -1.0818E+01 5.0661E+00 O6 3415 15.999400 -0.847600 5.1270E+00 8.5306E+00 1.4639E+01 H1 3416 1.008000 0.423800 4.2173E+00 8.9333E+00 1.4537E+01 H2 3417 1.008000 0.423800 5.2296E+00 8.1682E+00 1.5565E+01 O6 3418 15.999400 -0.847600 1.1843E+01 -1.8711E+01 2.7655E+00 H1 3419 1.008000 0.423800 1.1004E+01 -1.9063E+01 2.3498E+00 H2 3420 1.008000 0.423800 1.1750E+01 -1.8719E+01 3.7612E+00 O6 3421 15.999400 -0.847600 1.7542E+01 -1.7733E+00 1.4581E+01 H1 3422 1.008000 0.423800 1.7424E+01 -2.7663E+00 1.4595E+01 H2 3423 1.008000 0.423800 1.8444E+01 -1.5401E+00 1.4944E+01 O6 3424 15.999400 -0.847600 6.5394E+00 1.2978E+01 -1.6513E+01 H1 3425 1.008000 0.423800 7.4164E+00 1.2511E+01 -1.6399E+01 H2 3426 1.008000 0.423800 5.8786E+00 1.2351E+01 -1.6925E+01 O6 3427 15.999400 -0.847600 1.5711E+01 -2.6847E+00 -1.0267E+01 H1 3428 1.008000 0.423800 1.5351E+01 -1.9334E+00 -9.7136E+00 H2 3429 1.008000 0.423800 1.6174E+01 -3.3432E+00 -9.6739E+00 O6 3430 15.999400 -0.847600 -1.4535E+01 -5.6516E+00 -3.5478E+00 H1 3431 1.008000 0.423800 -1.3848E+01 -6.3150E+00 -3.2508E+00 H2 3432 1.008000 0.423800 -1.4089E+01 -4.9186E+00 -4.0620E+00 O6 3433 15.999400 -0.847600 -1.6377E+01 1.5903E+01 -7.7144E+00 H1 3434 1.008000 0.423800 -1.7168E+01 1.6370E+01 -8.1115E+00 H2 3435 1.008000 0.423800 -1.5547E+01 1.6422E+01 -7.9165E+00 O6 3436 15.999400 -0.847600 1.0534E+01 -1.8203E+01 -1.2869E+01 H1 3437 1.008000 0.423800 1.0817E+01 -1.8981E+01 -1.2307E+01 H2 3438 1.008000 0.423800 9.6924E+00 -1.7812E+01 -1.2498E+01 O6 3439 15.999400 -0.847600 -1.0267E+01 -1.3797E+01 1.6483E+01 H1 3440 1.008000 0.423800 -1.0930E+01 -1.3049E+01 1.6443E+01 H2 3441 1.008000 0.423800 -9.3420E+00 -1.3427E+01 1.6396E+01 O6 3442 15.999400 -0.847600 -1.3434E+01 -1.9919E+00 1.9000E+01 H1 3443 1.008000 0.423800 -1.4294E+01 -1.9293E+00 1.8494E+01 H2 3444 1.008000 0.423800 -1.2729E+01 -2.3890E+00 1.8412E+01 O6 3445 15.999400 -0.847600 1.5886E+01 -1.5971E+00 -6.0288E+00 H1 3446 1.008000 0.423800 1.5440E+01 -7.6857E-01 -5.6900E+00 H2 3447 1.008000 0.423800 1.6866E+01 -1.4297E+00 -6.1311E+00 O6 3448 15.999400 -0.847600 1.7596E+01 1.5752E+01 1.2161E+01 H1 3449 1.008000 0.423800 1.6947E+01 1.5431E+01 1.2852E+01 H2 3450 1.008000 0.423800 1.8439E+01 1.5217E+01 1.2222E+01 O6 3451 15.999400 -0.847600 1.8025E+01 -1.8253E+01 -1.8474E+01 H1 3452 1.008000 0.423800 1.7835E+01 -1.9210E+01 -1.8253E+01 H2 3453 1.008000 0.423800 1.7224E+01 -1.7847E+01 -1.8913E+01 O6 3454 15.999400 -0.847600 9.0442E+00 1.6537E+01 4.9237E+00 H1 3455 1.008000 0.423800 9.4994E+00 1.6471E+01 4.0358E+00 H2 3456 1.008000 0.423800 8.7259E+00 1.7474E+01 5.0661E+00 O6 3457 15.999400 -0.847600 -1.4730E+01 1.1786E+01 -9.1620E+00 H1 3458 1.008000 0.423800 -1.5372E+01 1.2527E+01 -8.9680E+00 H2 3459 1.008000 0.423800 -1.4188E+01 1.1592E+01 -8.3442E+00 O6 3460 15.999400 -0.847600 -3.5920E+00 -1.4908E+01 3.5766E+00 H1 3461 1.008000 0.423800 -4.2466E+00 -1.5338E+01 4.1982E+00 H2 3462 1.008000 0.423800 -2.7826E+00 -1.5489E+01 3.4908E+00 O6 3463 15.999400 -0.847600 1.4199E+01 1.1063E+01 8.9504E-01 H1 3464 1.008000 0.423800 1.3327E+01 1.1435E+01 1.2145E+00 H2 3465 1.008000 0.423800 1.4786E+01 1.1810E+01 5.8389E-01 O6 3466 15.999400 -0.847600 -1.5596E+01 -1.1671E+01 -1.9362E+01 H1 3467 1.008000 0.423800 -1.6152E+01 -1.1044E+01 -1.8816E+01 H2 3468 1.008000 0.423800 -1.5426E+01 -1.2507E+01 -1.8840E+01 O6 3469 15.999400 -0.847600 4.0191E+00 -2.3437E+00 9.3746E+00 H1 3470 1.008000 0.423800 3.3527E+00 -1.7132E+00 8.9766E+00 H2 3471 1.008000 0.423800 4.1347E+00 -2.1368E+00 1.0346E+01 O6 3472 15.999400 -0.847600 3.6859E-01 7.4455E+00 8.8796E-01 H1 3473 1.008000 0.423800 3.0492E-01 8.3701E+00 1.2636E+00 H2 3474 1.008000 0.423800 5.8011E-03 7.4387E+00 -4.3871E-02 O6 3475 15.999400 -0.847600 -3.9277E-01 5.0159E+00 -1.9324E+01 H1 3476 1.008000 0.423800 1.0637E-01 4.2201E+00 1.9431E+01 H2 3477 1.008000 0.423800 2.5059E-01 5.6597E+00 -1.8910E+01 O6 3478 15.999400 -0.847600 -1.6553E+01 -1.6879E-01 2.4216E+00 H1 3479 1.008000 0.423800 -1.6807E+01 5.7175E-01 1.7995E+00 H2 3480 1.008000 0.423800 -1.6158E+01 -9.2342E-01 1.8974E+00 O6 3481 15.999400 -0.847600 -1.9057E+01 1.5319E+01 1.8952E+01 H1 3482 1.008000 0.423800 1.9293E+01 1.4987E+01 1.8375E+01 H2 3483 1.008000 0.423800 -1.9177E+01 1.6297E+01 1.9122E+01 O6 3484 15.999400 -0.847600 -1.3281E+01 -1.2977E+01 1.8252E+01 H1 3485 1.008000 0.423800 -1.2867E+01 -1.2488E+01 1.7484E+01 H2 3486 1.008000 0.423800 -1.3263E+01 -1.2396E+01 1.9066E+01 O6 3487 15.999400 -0.847600 -1.4518E+01 -1.7108E+01 -8.5351E+00 H1 3488 1.008000 0.423800 -1.4780E+01 -1.8058E+01 -8.3621E+00 H2 3489 1.008000 0.423800 -1.5143E+01 -1.6497E+01 -8.0496E+00 O6 3490 15.999400 -0.847600 -1.5942E+01 9.1714E+00 3.4720E+00 H1 3491 1.008000 0.423800 -1.6720E+01 9.4117E+00 2.8923E+00 H2 3492 1.008000 0.423800 -1.5973E+01 8.1945E+00 3.6833E+00 O6 3493 15.999400 -0.847600 1.7073E+01 -4.7285E+00 -8.8188E+00 H1 3494 1.008000 0.423800 1.7443E+01 -4.7277E+00 -7.8896E+00 H2 3495 1.008000 0.423800 1.6222E+01 -5.2532E+00 -8.8384E+00 O6 3496 15.999400 -0.847600 -1.6252E+01 1.0486E+01 1.3349E+01 H1 3497 1.008000 0.423800 -1.6984E+01 9.8359E+00 1.3142E+01 H2 3498 1.008000 0.423800 -1.5366E+01 1.0034E+01 1.3245E+01 O6 3499 15.999400 -0.847600 -1.0418E+01 1.5294E+01 -1.2949E+01 H1 3500 1.008000 0.423800 -9.9369E+00 1.5578E+01 -1.3778E+01 H2 3501 1.008000 0.423800 -1.1051E+01 1.4552E+01 -1.3168E+01 O6 3502 15.999400 -0.847600 -8.0472E+00 -7.6075E+00 -1.7893E+01 H1 3503 1.008000 0.423800 -8.8860E+00 -8.0924E+00 -1.8141E+01 H2 3504 1.008000 0.423800 -8.1902E+00 -7.1102E+00 -1.7037E+01 O6 3505 15.999400 -0.847600 8.3663E+00 -1.6136E+01 -1.8216E+01 H1 3506 1.008000 0.423800 8.4959E+00 -1.5993E+01 -1.7234E+01 H2 3507 1.008000 0.423800 8.3574E+00 -1.5253E+01 -1.8683E+01 O6 3508 15.999400 -0.847600 1.6885E+01 5.6178E+00 -4.3193E+00 H1 3509 1.008000 0.423800 1.6219E+01 6.0074E+00 -4.9556E+00 H2 3510 1.008000 0.423800 1.7750E+01 6.1149E+00 -4.3958E+00 O6 3511 15.999400 -0.847600 6.7740E-01 -6.3930E+00 6.1380E+00 H1 3512 1.008000 0.423800 7.8241E-01 -7.1550E+00 5.4990E+00 H2 3513 1.008000 0.423800 8.5635E-02 -6.6715E+00 6.8945E+00 O6 3514 15.999400 -0.847600 9.2237E+00 3.8676E+00 2.4064E+00 H1 3515 1.008000 0.423800 9.4238E+00 3.4588E+00 3.2968E+00 H2 3516 1.008000 0.423800 8.2444E+00 4.0587E+00 2.3399E+00 O6 3517 15.999400 -0.847600 1.0605E+01 -1.0038E+00 -1.1427E+01 H1 3518 1.008000 0.423800 1.0519E+01 -4.6726E-02 -1.1150E+01 H2 3519 1.008000 0.423800 1.0151E+01 -1.5875E+00 -1.0754E+01 O6 3520 15.999400 -0.847600 1.8614E+01 2.2272E+00 1.1509E+01 H1 3521 1.008000 0.423800 1.8644E+01 1.6168E+00 1.0717E+01 H2 3522 1.008000 0.423800 1.7671E+01 2.3048E+00 1.1833E+01 O6 3523 15.999400 -0.847600 -3.2107E+00 2.0677E+00 1.7555E+01 H1 3524 1.008000 0.423800 -3.1276E+00 1.9188E+00 1.6570E+01 H2 3525 1.008000 0.423800 -3.7266E+00 2.9078E+00 1.7723E+01 O6 3526 15.999400 -0.847600 -1.7227E+01 1.0935E+01 -1.2525E+01 H1 3527 1.008000 0.423800 -1.6690E+01 1.0216E+01 -1.2084E+01 H2 3528 1.008000 0.423800 -1.6612E+01 1.1628E+01 -1.2899E+01 O6 3529 15.999400 -0.847600 3.5557E+00 -5.0999E+00 1.4872E+01 H1 3530 1.008000 0.423800 3.3754E+00 -4.1163E+00 1.4867E+01 H2 3531 1.008000 0.423800 4.3836E+00 -5.2845E+00 1.5401E+01 O6 3532 15.999400 -0.847600 8.7522E+00 -9.6805E+00 1.5029E+01 H1 3533 1.008000 0.423800 9.4644E+00 -1.0129E+01 1.4489E+01 H2 3534 1.008000 0.423800 8.9128E+00 -9.8529E+00 1.6001E+01 O6 3535 15.999400 -0.847600 -1.3698E+01 9.1410E+00 1.3112E+01 H1 3536 1.008000 0.423800 -1.3583E+01 8.3459E+00 1.3707E+01 H2 3537 1.008000 0.423800 -1.4079E+01 8.8480E+00 1.2234E+01 O6 3538 15.999400 -0.847600 -4.7590E+00 -1.3081E+01 1.6510E+00 H1 3539 1.008000 0.423800 -4.8616E+00 -1.3809E+01 2.3288E+00 H2 3540 1.008000 0.423800 -5.5551E+00 -1.2477E+01 1.6877E+00 O6 3541 15.999400 -0.847600 1.6814E+01 3.5762E+00 -6.3632E+00 H1 3542 1.008000 0.423800 1.5835E+01 3.4196E+00 -6.4942E+00 H2 3543 1.008000 0.423800 1.6948E+01 4.2923E+00 -5.6782E+00 O6 3544 15.999400 -0.847600 -1.6525E+00 1.9284E+01 -1.6799E+01 H1 3545 1.008000 0.423800 -2.6233E+00 1.9076E+01 -1.6681E+01 H2 3546 1.008000 0.423800 -1.2622E+00 -1.9534E+01 -1.5922E+01 O6 3547 15.999400 -0.847600 1.5381E+01 -1.5751E+01 1.7678E+00 H1 3548 1.008000 0.423800 1.4922E+01 -1.5200E+01 2.4649E+00 H2 3549 1.008000 0.423800 1.5224E+01 -1.6721E+01 1.9524E+00 O6 3550 15.999400 -0.847600 6.9622E-01 -2.3173E+00 3.5069E+00 H1 3551 1.008000 0.423800 1.6021E+00 -2.2411E+00 3.0902E+00 H2 3552 1.008000 0.423800 4.6102E-01 -3.2828E+00 3.6188E+00 O6 3553 15.999400 -0.847600 2.6912E+00 1.7006E+01 1.6861E+01 H1 3554 1.008000 0.423800 2.7160E+00 1.7294E+01 1.7818E+01 H2 3555 1.008000 0.423800 2.9548E+00 1.7772E+01 1.6275E+01 O6 3556 15.999400 -0.847600 -5.0490E+00 1.8090E+01 1.8667E+00 H1 3557 1.008000 0.423800 -5.4870E+00 1.7666E+01 1.0743E+00 H2 3558 1.008000 0.423800 -4.1874E+00 1.8512E+01 1.5849E+00 O6 3559 15.999400 -0.847600 -1.6903E+01 2.6669E+00 1.5437E+01 H1 3560 1.008000 0.423800 -1.6745E+01 2.6448E+00 1.4449E+01 H2 3561 1.008000 0.423800 -1.7814E+01 3.0379E+00 1.5620E+01 O6 3562 15.999400 -0.847600 -1.0978E+01 -9.3434E-01 -3.2727E+00 H1 3563 1.008000 0.423800 -1.0040E+01 -6.7437E-01 -3.5024E+00 H2 3564 1.008000 0.423800 -1.1617E+01 -3.7355E-01 -3.7985E+00 O6 3565 15.999400 -0.847600 -2.8775E+00 8.5018E+00 1.5397E+01 H1 3566 1.008000 0.423800 -3.8386E+00 8.5154E+00 1.5673E+01 H2 3567 1.008000 0.423800 -2.3488E+00 9.0975E+00 1.6001E+01 O6 3568 15.999400 -0.847600 6.3353E+00 1.0240E+01 -1.3258E+01 H1 3569 1.008000 0.423800 6.7641E+00 9.9927E+00 -1.4127E+01 H2 3570 1.008000 0.423800 6.6050E+00 1.1169E+01 -1.3006E+01 O6 3571 15.999400 -0.847600 -1.2034E+01 -8.2807E+00 -1.3157E+01 H1 3572 1.008000 0.423800 -1.1323E+01 -8.6948E+00 -1.3726E+01 H2 3573 1.008000 0.423800 -1.1620E+01 -7.9086E+00 -1.2326E+01 O6 3574 15.999400 -0.847600 -1.1793E+01 -4.6623E+00 -1.6002E+01 H1 3575 1.008000 0.423800 -1.2060E+01 -4.5714E+00 -1.6962E+01 H2 3576 1.008000 0.423800 -1.0808E+01 -4.5181E+00 -1.5915E+01 O6 3577 15.999400 -0.847600 -7.3854E+00 -1.0555E+01 5.1576E+00 H1 3578 1.008000 0.423800 -6.6018E+00 -1.1141E+01 4.9505E+00 H2 3579 1.008000 0.423800 -7.6722E+00 -1.0077E+01 4.3278E+00 O6 3580 15.999400 -0.847600 -2.9853E+00 6.8401E+00 6.9041E-01 H1 3581 1.008000 0.423800 -2.5769E+00 6.0455E+00 1.1397E+00 H2 3582 1.008000 0.423800 -3.9553E+00 6.8949E+00 9.2740E-01 O6 3583 15.999400 -0.847600 -7.3893E+00 5.5857E+00 -1.7373E+01 H1 3584 1.008000 0.423800 -7.2367E+00 6.5731E+00 -1.7332E+01 H2 3585 1.008000 0.423800 -7.7550E+00 5.2688E+00 -1.6498E+01 O6 3586 15.999400 -0.847600 -3.9072E+00 6.7151E+00 -1.1723E+01 H1 3587 1.008000 0.423800 -4.7937E+00 6.3061E+00 -1.1506E+01 H2 3588 1.008000 0.423800 -3.8908E+00 7.6629E+00 -1.1405E+01 O6 3589 15.999400 -0.847600 9.4314E+00 1.4887E-01 8.7871E+00 H1 3590 1.008000 0.423800 9.0590E+00 -7.4835E-01 9.0245E+00 H2 3591 1.008000 0.423800 1.0265E+01 3.1491E-02 8.2468E+00 O6 3592 15.999400 -0.847600 1.7763E+01 -4.6176E+00 1.5533E+01 H1 3593 1.008000 0.423800 1.7649E+01 -4.2353E+00 1.6450E+01 H2 3594 1.008000 0.423800 1.8725E+01 -4.5607E+00 1.5266E+01 O6 3595 15.999400 -0.847600 -1.0484E+01 -1.4544E+01 -4.3955E-01 H1 3596 1.008000 0.423800 -9.9363E+00 -1.5154E+01 1.3363E-01 H2 3597 1.008000 0.423800 -9.9911E+00 -1.4353E+01 -1.2885E+00 O6 3598 15.999400 -0.847600 -1.0830E+01 1.1821E+01 -1.0332E+01 H1 3599 1.008000 0.423800 -1.1198E+01 1.1519E+01 -9.4524E+00 H2 3600 1.008000 0.423800 -1.1578E+01 1.1933E+01 -1.0985E+01 O6 3601 15.999400 -0.847600 1.6153E+01 1.3338E+01 4.6833E-01 H1 3602 1.008000 0.423800 1.5811E+01 1.4220E+01 7.9163E-01 H2 3603 1.008000 0.423800 1.7144E+01 1.3388E+01 3.4673E-01 O6 3604 15.999400 -0.847600 1.6885E+01 -1.3394E+01 -1.0082E+01 H1 3605 1.008000 0.423800 1.6184E+01 -1.2703E+01 -1.0255E+01 H2 3606 1.008000 0.423800 1.7690E+01 -1.2960E+01 -9.6768E+00 O6 3607 15.999400 -0.847600 1.2135E+01 -1.0046E+01 -1.2897E+01 H1 3608 1.008000 0.423800 1.1980E+01 -9.4914E+00 -1.2079E+01 H2 3609 1.008000 0.423800 1.3118E+01 -1.0171E+01 -1.3033E+01 O6 3610 15.999400 -0.847600 1.9324E+01 1.1969E+01 3.6442E+00 H1 3611 1.008000 0.423800 1.9278E+01 1.2968E+01 3.6200E+00 H2 3612 1.008000 0.423800 1.8496E+01 1.1587E+01 3.2339E+00 O6 3613 15.999400 -0.847600 -1.1978E+01 2.2383E+00 5.3474E+00 H1 3614 1.008000 0.423800 -1.1303E+01 1.8564E+00 4.7154E+00 H2 3615 1.008000 0.423800 -1.2119E+01 3.2060E+00 5.1389E+00 O6 3616 15.999400 -0.847600 -8.0965E+00 1.4488E+01 -5.8978E+00 H1 3617 1.008000 0.423800 -8.1185E+00 1.3593E+01 -6.3433E+00 H2 3618 1.008000 0.423800 -8.4578E+00 1.5180E+01 -6.5227E+00 O6 3619 15.999400 -0.847600 -1.5236E+00 -1.1296E+01 -7.5402E+00 H1 3620 1.008000 0.423800 -9.4123E-01 -1.1069E+01 -8.3206E+00 H2 3621 1.008000 0.423800 -2.3577E+00 -1.0746E+01 -7.5751E+00 O6 3622 15.999400 -0.847600 -1.9078E+01 -6.8834E+00 1.4495E+01 H1 3623 1.008000 0.423800 -1.8915E+01 -5.8973E+00 1.4462E+01 H2 3624 1.008000 0.423800 -1.8438E+01 -7.3480E+00 1.3884E+01 O6 3625 15.999400 -0.847600 4.4104E+00 -9.8808E+00 -1.5507E+01 H1 3626 1.008000 0.423800 4.8469E+00 -1.0197E+01 -1.4665E+01 H2 3627 1.008000 0.423800 5.0693E+00 -9.9189E+00 -1.6258E+01 O6 3628 15.999400 -0.847600 -1.4429E+01 1.3578E+01 -1.1364E+01 H1 3629 1.008000 0.423800 -1.4453E+01 1.2826E+01 -1.0706E+01 H2 3630 1.008000 0.423800 -1.4492E+01 1.3211E+01 -1.2292E+01 O6 3631 15.999400 -0.847600 1.0477E+01 -6.8379E+00 1.7641E+01 H1 3632 1.008000 0.423800 9.6976E+00 -6.5579E+00 1.8202E+01 H2 3633 1.008000 0.423800 1.0342E+01 -6.5226E+00 1.6702E+01 O6 3634 15.999400 -0.847600 -1.6419E+01 1.9484E+01 1.0407E+01 H1 3635 1.008000 0.423800 -1.6352E+01 -1.8791E+01 9.8427E+00 H2 3636 1.008000 0.423800 -1.7373E+01 1.9334E+01 1.0666E+01 O6 3637 15.999400 -0.847600 7.6204E+00 -3.5548E+00 -1.8854E+01 H1 3638 1.008000 0.423800 7.8741E+00 -2.6804E+00 -1.8441E+01 H2 3639 1.008000 0.423800 6.7646E+00 -3.8785E+00 -1.8451E+01 O6 3640 15.999400 -0.847600 3.1324E+00 3.3342E-01 1.7852E+00 H1 3641 1.008000 0.423800 2.1503E+00 5.2202E-01 1.7917E+00 H2 3642 1.008000 0.423800 3.5995E+00 9.7786E-01 2.3906E+00 O6 3643 15.999400 -0.847600 1.3835E+01 1.2440E+01 -7.0364E+00 H1 3644 1.008000 0.423800 1.3125E+01 1.1917E+01 -6.5650E+00 H2 3645 1.008000 0.423800 1.3693E+01 1.3416E+01 -6.8740E+00 O6 3646 15.999400 -0.847600 1.2797E+01 -6.3621E+00 6.2779E+00 H1 3647 1.008000 0.423800 1.3689E+01 -6.5976E+00 6.6652E+00 H2 3648 1.008000 0.423800 1.2611E+01 -5.3922E+00 6.4353E+00 O6 3649 15.999400 -0.847600 1.8122E+01 -1.8487E+01 -2.3779E+00 H1 3650 1.008000 0.423800 1.8798E+01 -1.8929E+01 -1.7881E+00 H2 3651 1.008000 0.423800 1.8309E+01 -1.8719E+01 -3.3322E+00 O6 3652 15.999400 -0.847600 -9.5688E+00 1.3341E+01 1.7374E+01 H1 3653 1.008000 0.423800 -8.8491E+00 1.2968E+01 1.6789E+01 H2 3654 1.008000 0.423800 -9.3991E+00 1.4314E+01 1.7532E+01 O6 3655 15.999400 -0.847600 1.1279E+00 -1.5305E+01 -1.8779E+01 H1 3656 1.008000 0.423800 4.0469E-01 -1.4942E+01 -1.9367E+01 H2 3657 1.008000 0.423800 1.3559E+00 -1.6235E+01 -1.9067E+01 O6 3658 15.999400 -0.847600 1.3400E+01 -1.4330E+01 3.2525E+00 H1 3659 1.008000 0.423800 1.2980E+01 -1.3425E+01 3.3222E+00 H2 3660 1.008000 0.423800 1.3053E+01 -1.4915E+01 3.9856E+00 O6 3661 15.999400 -0.847600 1.2239E+01 -1.4812E+01 1.5475E+01 H1 3662 1.008000 0.423800 1.2035E+01 -1.5749E+01 1.5190E+01 H2 3663 1.008000 0.423800 1.3213E+01 -1.4732E+01 1.5686E+01 O6 3664 15.999400 -0.847600 -5.5004E+00 1.1125E+01 -2.6074E+00 H1 3665 1.008000 0.423800 -4.9421E+00 1.0955E+01 -1.7952E+00 H2 3666 1.008000 0.423800 -4.9545E+00 1.0956E+01 -3.4281E+00 O6 3667 15.999400 -0.847600 1.6672E+01 -1.4094E+01 -1.6658E+01 H1 3668 1.008000 0.423800 1.6306E+01 -1.4769E+01 -1.6017E+01 H2 3669 1.008000 0.423800 1.6079E+01 -1.4041E+01 -1.7461E+01 O6 3670 15.999400 -0.847600 1.8242E+00 1.1169E+01 1.7892E+01 H1 3671 1.008000 0.423800 2.2375E+00 1.2069E+01 1.8035E+01 H2 3672 1.008000 0.423800 1.7487E+00 1.0989E+01 1.6911E+01 O6 3673 15.999400 -0.847600 1.2452E+01 1.5872E+01 8.2776E+00 H1 3674 1.008000 0.423800 1.3127E+01 1.5764E+01 9.0082E+00 H2 3675 1.008000 0.423800 1.1606E+01 1.5405E+01 8.5336E+00 O6 3676 15.999400 -0.847600 1.8805E+01 1.0374E+01 5.9510E+00 H1 3677 1.008000 0.423800 1.9466E+01 9.6231E+00 5.9467E+00 H2 3678 1.008000 0.423800 1.9071E+01 1.1056E+01 5.2700E+00 O6 3679 15.999400 -0.847600 -1.2448E+01 -1.2059E+01 -1.0352E+01 H1 3680 1.008000 0.423800 -1.2756E+01 -1.1576E+01 -1.1171E+01 H2 3681 1.008000 0.423800 -1.2121E+01 -1.2970E+01 -1.0606E+01 O6 3682 15.999400 -0.847600 -1.2183E+01 -7.9753E+00 -1.8146E+01 H1 3683 1.008000 0.423800 -1.2990E+01 -7.7000E+00 -1.8668E+01 H2 3684 1.008000 0.423800 -1.2314E+01 -7.7428E+00 -1.7182E+01 O6 3685 15.999400 -0.847600 -1.7333E+01 5.6629E-01 -6.0159E+00 H1 3686 1.008000 0.423800 -1.7063E+01 1.0785E+00 -5.2004E+00 H2 3687 1.008000 0.423800 -1.7227E+01 1.1461E+00 -6.8237E+00 O6 3688 15.999400 -0.847600 9.4591E-01 3.0742E+00 6.9628E+00 H1 3689 1.008000 0.423800 1.6945E+00 3.1190E+00 7.6244E+00 H2 3690 1.008000 0.423800 1.6003E-01 2.6171E+00 7.3793E+00 O6 3691 15.999400 -0.847600 1.6198E+01 1.4776E+01 1.4471E+01 H1 3692 1.008000 0.423800 1.5305E+01 1.5078E+01 1.4136E+01 H2 3693 1.008000 0.423800 1.6153E+01 1.3807E+01 1.4713E+01 O6 3694 15.999400 -0.847600 1.5239E+00 -8.3358E+00 -9.4895E+00 H1 3695 1.008000 0.423800 1.8573E+00 -8.8864E+00 -8.7241E+00 H2 3696 1.008000 0.423800 1.6574E+00 -7.3660E+00 -9.2855E+00 O6 3697 15.999400 -0.847600 1.2486E+01 -3.2108E+00 4.3488E+00 H1 3698 1.008000 0.423800 1.3186E+01 -3.1501E+00 5.0604E+00 H2 3699 1.008000 0.423800 1.1627E+01 -3.5266E+00 4.7523E+00 O6 3700 15.999400 -0.847600 -1.4942E+01 3.0903E+00 -4.0613E-01 H1 3701 1.008000 0.423800 -1.4822E+01 2.0975E+00 -4.0174E-01 H2 3702 1.008000 0.423800 -1.5790E+01 3.3211E+00 -8.8343E-01 O6 3703 15.999400 -0.847600 -9.7882E+00 -9.9567E+00 6.8583E+00 H1 3704 1.008000 0.423800 -8.9652E+00 -1.0495E+01 6.6754E+00 H2 3705 1.008000 0.423800 -9.6879E+00 -9.4806E+00 7.7319E+00 O6 3706 15.999400 -0.847600 -1.8821E+01 -1.6948E+01 -1.7548E+01 H1 3707 1.008000 0.423800 1.9428E+01 -1.7244E+01 -1.7985E+01 H2 3708 1.008000 0.423800 -1.8110E+01 -1.6834E+01 -1.8243E+01 O6 3709 15.999400 -0.847600 -1.5963E+01 9.2185E+00 8.7824E+00 H1 3710 1.008000 0.423800 -1.6111E+01 1.0037E+01 8.2272E+00 H2 3711 1.008000 0.423800 -1.6821E+01 8.7105E+00 8.8623E+00 O6 3712 15.999400 -0.847600 6.0119E+00 1.5018E+01 1.0430E+01 H1 3713 1.008000 0.423800 5.7596E+00 1.5505E+01 9.5937E+00 H2 3714 1.008000 0.423800 6.4449E+00 1.5654E+01 1.1068E+01 O6 3715 15.999400 -0.847600 -9.5226E+00 -1.8000E+01 1.4893E+01 H1 3716 1.008000 0.423800 -8.8070E+00 -1.7407E+01 1.4524E+01 H2 3717 1.008000 0.423800 -1.0329E+01 -1.7452E+01 1.5114E+01 O6 3718 15.999400 -0.847600 4.4812E+00 -1.7509E+01 8.6841E+00 H1 3719 1.008000 0.423800 4.0230E+00 -1.6687E+01 8.3476E+00 H2 3720 1.008000 0.423800 5.4616E+00 -1.7333E+01 8.7713E+00 O6 3721 15.999400 -0.847600 -1.8151E+01 -1.7414E+01 -4.3482E+00 H1 3722 1.008000 0.423800 -1.8828E+01 -1.6971E+01 -4.9357E+00 H2 3723 1.008000 0.423800 -1.7426E+01 -1.7807E+01 -4.9133E+00 O6 3724 15.999400 -0.847600 -5.9214E-02 -8.2275E+00 4.1138E+00 H1 3725 1.008000 0.423800 4.4000E-02 -8.9342E+00 4.8138E+00 H2 3726 1.008000 0.423800 -5.9251E-01 -8.5906E+00 3.3498E+00 O6 3727 15.999400 -0.847600 -8.4666E-01 1.6630E+01 -1.6577E+01 H1 3728 1.008000 0.423800 -1.1676E+00 1.7546E+01 -1.6820E+01 H2 3729 1.008000 0.423800 1.0475E-01 1.6681E+01 -1.6273E+01 O6 3730 15.999400 -0.847600 2.0277E-01 -1.9993E-01 -1.7357E+01 H1 3731 1.008000 0.423800 -6.2507E-01 3.3081E-01 -1.7175E+01 H2 3732 1.008000 0.423800 3.1629E-01 -3.1275E-01 -1.8344E+01 O6 3733 15.999400 -0.847600 -6.3145E+00 1.2696E+01 1.3897E+01 H1 3734 1.008000 0.423800 -7.1939E+00 1.2491E+01 1.3468E+01 H2 3735 1.008000 0.423800 -5.8306E+00 1.1842E+01 1.4089E+01 O6 3736 15.999400 -0.847600 1.2277E+01 1.4658E+01 1.5758E+01 H1 3737 1.008000 0.423800 1.1425E+01 1.4931E+01 1.5310E+01 H2 3738 1.008000 0.423800 1.2073E+01 1.4286E+01 1.6663E+01 O6 3739 15.999400 -0.847600 4.8010E+00 7.5989E-01 -3.2466E-01 H1 3740 1.008000 0.423800 5.5461E+00 1.1202E-01 -4.8309E-01 H2 3741 1.008000 0.423800 4.2563E+00 4.5671E-01 4.5730E-01 O6 3742 15.999400 -0.847600 8.2814E+00 -9.4782E+00 6.0818E-01 H1 3743 1.008000 0.423800 8.3671E+00 -8.9150E+00 -2.1365E-01 H2 3744 1.008000 0.423800 7.4195E+00 -9.9843E+00 5.7695E-01 O6 3745 15.999400 -0.847600 -1.0471E+01 -1.1990E+01 9.6879E+00 H1 3746 1.008000 0.423800 -1.0712E+01 -1.1056E+01 9.9528E+00 H2 3747 1.008000 0.423800 -9.6565E+00 -1.2279E+01 1.0190E+01 O6 3748 15.999400 -0.847600 4.6660E+00 1.6314E+01 -1.2391E+01 H1 3749 1.008000 0.423800 3.9320E+00 1.5635E+01 -1.2425E+01 H2 3750 1.008000 0.423800 4.3363E+00 1.7181E+01 -1.2765E+01 O6 3751 15.999400 -0.847600 3.2467E+00 -1.7979E+01 4.3700E+00 H1 3752 1.008000 0.423800 2.3453E+00 -1.7867E+01 4.7883E+00 H2 3753 1.008000 0.423800 3.5870E+00 -1.7089E+01 4.0679E+00 O6 3754 15.999400 -0.847600 1.1891E+01 6.2990E-01 -1.4501E+01 H1 3755 1.008000 0.423800 1.2125E+01 -1.7881E-01 -1.5040E+01 H2 3756 1.008000 0.423800 1.2669E+01 8.8515E-01 -1.3927E+01 O6 3757 15.999400 -0.847600 -1.5184E+01 1.8117E+01 1.7240E+01 H1 3758 1.008000 0.423800 -1.5524E+01 1.7253E+01 1.6869E+01 H2 3759 1.008000 0.423800 -1.4502E+01 1.8502E+01 1.6618E+01 O6 3760 15.999400 -0.847600 -1.2766E+01 -9.4540E+00 -4.8353E+00 H1 3761 1.008000 0.423800 -1.2799E+01 -1.0394E+01 -4.4945E+00 H2 3762 1.008000 0.423800 -1.2498E+01 -9.4582E+00 -5.7988E+00 O6 3763 15.999400 -0.847600 -7.4759E+00 -1.6282E+01 -9.5566E+00 H1 3764 1.008000 0.423800 -6.7327E+00 -1.6291E+01 -1.0226E+01 H2 3765 1.008000 0.423800 -7.3248E+00 -1.5543E+01 -8.9006E+00 O6 3766 15.999400 -0.847600 1.3201E+01 -2.5862E+00 -5.7333E+00 H1 3767 1.008000 0.423800 1.2754E+01 -2.4160E+00 -4.8551E+00 H2 3768 1.008000 0.423800 1.4192E+01 -2.6233E+00 -5.6013E+00 O6 3769 15.999400 -0.847600 1.2405E+00 1.0254E+01 -8.0076E-01 H1 3770 1.008000 0.423800 1.8193E+00 1.0551E+01 -1.5603E+00 H2 3771 1.008000 0.423800 7.8952E-01 9.3945E+00 -1.0417E+00 O6 3772 15.999400 -0.847600 -5.7595E+00 -7.3537E+00 -1.5148E+01 H1 3773 1.008000 0.423800 -5.6822E+00 -7.3423E+00 -1.4151E+01 H2 3774 1.008000 0.423800 -4.8462E+00 -7.3152E+00 -1.5553E+01 O6 3775 15.999400 -0.847600 -1.2815E+01 1.1116E+01 -1.2282E+01 H1 3776 1.008000 0.423800 -1.2515E+01 1.1980E+01 -1.2687E+01 H2 3777 1.008000 0.423800 -1.3124E+01 1.0499E+01 -1.3005E+01 O6 3778 15.999400 -0.847600 -3.8971E+00 -7.7718E+00 -1.7154E+01 H1 3779 1.008000 0.423800 -3.6454E+00 -8.7076E+00 -1.7401E+01 H2 3780 1.008000 0.423800 -3.8241E+00 -7.1837E+00 -1.7960E+01 O6 3781 15.999400 -0.847600 -5.1641E+00 -1.3822E+01 -1.8450E+01 H1 3782 1.008000 0.423800 -5.3279E+00 -1.4586E+01 -1.7826E+01 H2 3783 1.008000 0.423800 -5.9480E+00 -1.3201E+01 -1.8430E+01 O6 3784 15.999400 -0.847600 -8.9759E+00 -4.3417E+00 -6.8265E+00 H1 3785 1.008000 0.423800 -9.3556E+00 -4.0366E+00 -5.9532E+00 H2 3786 1.008000 0.423800 -9.2182E+00 -3.6869E+00 -7.5423E+00 O6 3787 15.999400 -0.847600 1.6122E+01 9.0449E+00 -4.7796E+00 H1 3788 1.008000 0.423800 1.6692E+01 9.4319E+00 -4.0546E+00 H2 3789 1.008000 0.423800 1.6580E+01 9.1603E+00 -5.6610E+00 O6 3790 15.999400 -0.847600 -2.0560E+00 8.8875E+00 1.2700E+01 H1 3791 1.008000 0.423800 -1.1420E+00 8.5743E+00 1.2442E+01 H2 3792 1.008000 0.423800 -2.3473E+00 8.4157E+00 1.3533E+01 O6 3793 15.999400 -0.847600 -2.0349E+00 -1.4631E+01 1.1686E+01 H1 3794 1.008000 0.423800 -2.3741E+00 -1.3694E+01 1.1768E+01 H2 3795 1.008000 0.423800 -1.9316E+00 -1.5029E+01 1.2598E+01 O6 3796 15.999400 -0.847600 4.6419E+00 5.0535E+00 1.4209E+01 H1 3797 1.008000 0.423800 5.1412E+00 5.5192E+00 1.4940E+01 H2 3798 1.008000 0.423800 5.2830E+00 4.5276E+00 1.3650E+01 O6 3799 15.999400 -0.847600 1.1864E+01 7.1545E+00 9.8471E+00 H1 3800 1.008000 0.423800 1.1703E+01 7.8619E+00 1.0535E+01 H2 3801 1.008000 0.423800 1.1411E+01 7.4110E+00 8.9933E+00 O6 3802 15.999400 -0.847600 8.9841E+00 -1.3109E+01 -1.8211E+01 H1 3803 1.008000 0.423800 9.0142E+00 -1.2123E+01 -1.8049E+01 H2 3804 1.008000 0.423800 9.9054E+00 -1.3442E+01 -1.8411E+01 O6 3805 15.999400 -0.847600 2.5462E-01 -3.8422E-02 -1.9309E+00 H1 3806 1.008000 0.423800 -3.7071E-01 6.9323E-01 -1.6594E+00 H2 3807 1.008000 0.423800 -1.8168E-01 -6.0855E-01 -2.6270E+00 O6 3808 15.999400 -0.847600 -7.8684E+00 -1.5754E+01 -1.5488E+01 H1 3809 1.008000 0.423800 -8.1303E+00 -1.6282E+01 -1.6296E+01 H2 3810 1.008000 0.423800 -8.4532E+00 -1.4946E+01 -1.5413E+01 O6 3811 15.999400 -0.847600 4.0259E-01 1.4103E+01 -7.7742E+00 H1 3812 1.008000 0.423800 -1.5558E-02 1.3272E+01 -7.4087E+00 H2 3813 1.008000 0.423800 1.1477E+00 1.4393E+01 -7.1737E+00 O6 3814 15.999400 -0.847600 -1.2658E+01 -1.7119E+01 1.2957E+00 H1 3815 1.008000 0.423800 -1.3407E+01 -1.7746E+01 1.5113E+00 H2 3816 1.008000 0.423800 -1.2616E+01 -1.6978E+01 3.0668E-01 O6 3817 15.999400 -0.847600 -8.2685E+00 1.5931E+01 1.6206E+01 H1 3818 1.008000 0.423800 -9.1307E+00 1.5587E+01 1.5835E+01 H2 3819 1.008000 0.423800 -7.9903E+00 1.6748E+01 1.5700E+01 O6 3820 15.999400 -0.847600 -1.5156E+01 5.7773E+00 1.0080E+01 H1 3821 1.008000 0.423800 -1.5127E+01 4.9714E+00 9.4887E+00 H2 3822 1.008000 0.423800 -1.4224E+01 6.0406E+00 1.0330E+01 O6 3823 15.999400 -0.847600 -1.9085E+01 -1.1305E+01 1.0885E+01 H1 3824 1.008000 0.423800 -1.8876E+01 -1.1104E+01 9.9279E+00 H2 3825 1.008000 0.423800 -1.9537E+01 -1.0515E+01 1.1300E+01 O6 3826 15.999400 -0.847600 5.2346E+00 6.7667E+00 4.0204E+00 H1 3827 1.008000 0.423800 5.0457E+00 7.6947E+00 4.3418E+00 H2 3828 1.008000 0.423800 4.3717E+00 6.2863E+00 3.8635E+00 O6 3829 15.999400 -0.847600 -9.8176E+00 6.1444E+00 3.4457E+00 H1 3830 1.008000 0.423800 -9.9184E+00 6.7059E+00 2.6243E+00 H2 3831 1.008000 0.423800 -8.9108E+00 5.7229E+00 3.4520E+00 O6 3832 15.999400 -0.847600 -1.1652E+01 7.2564E+00 -1.9250E+01 H1 3833 1.008000 0.423800 -1.0950E+01 7.0859E+00 1.9156E+01 H2 3834 1.008000 0.423800 -1.1902E+01 6.3943E+00 -1.8809E+01 O6 3835 15.999400 -0.847600 3.5972E+00 -5.6289E+00 -8.3039E+00 H1 3836 1.008000 0.423800 3.7656E+00 -6.2089E+00 -7.5068E+00 H2 3837 1.008000 0.423800 2.6467E+00 -5.7329E+00 -8.5968E+00 O6 3838 15.999400 -0.847600 1.3189E+01 8.2077E+00 1.7350E+01 H1 3839 1.008000 0.423800 1.3424E+01 8.5047E+00 1.8276E+01 H2 3840 1.008000 0.423800 1.3907E+01 8.4965E+00 1.6716E+01 O6 3841 15.999400 -0.847600 -1.5757E+01 3.7506E-01 1.1290E+01 H1 3842 1.008000 0.423800 -1.6089E+01 1.0465E+00 1.1952E+01 H2 3843 1.008000 0.423800 -1.4944E+01 7.3311E-01 1.0831E+01 O6 3844 15.999400 -0.847600 6.9421E+00 1.6485E+01 -7.2941E+00 H1 3845 1.008000 0.423800 6.1692E+00 1.6196E+01 -7.8594E+00 H2 3846 1.008000 0.423800 7.4593E+00 1.5680E+01 -7.0017E+00 O6 3847 15.999400 -0.847600 1.8432E+01 -9.9015E+00 3.6711E+00 H1 3848 1.008000 0.423800 1.7772E+01 -1.0651E+01 3.6135E+00 H2 3849 1.008000 0.423800 1.9325E+01 -1.0264E+01 3.9359E+00 O6 3850 15.999400 -0.847600 -5.9636E+00 1.2272E+01 -8.5376E+00 H1 3851 1.008000 0.423800 -6.2140E+00 1.2787E+01 -9.3577E+00 H2 3852 1.008000 0.423800 -5.1137E+00 1.2640E+01 -8.1601E+00 O6 3853 15.999400 -0.847600 -1.1442E+01 -1.6039E+01 1.5696E+01 H1 3854 1.008000 0.423800 -1.1034E+01 -1.5199E+01 1.6054E+01 H2 3855 1.008000 0.423800 -1.2122E+01 -1.5810E+01 1.5000E+01 O6 3856 15.999400 -0.847600 -1.4789E+01 4.0463E+00 7.8934E+00 H1 3857 1.008000 0.423800 -1.4047E+01 4.5894E+00 7.4999E+00 H2 3858 1.008000 0.423800 -1.4691E+01 3.0928E+00 7.6083E+00 O6 3859 15.999400 -0.847600 5.3570E+00 -5.6129E-01 7.4264E+00 H1 3860 1.008000 0.423800 5.3516E+00 -1.2897E+00 8.1116E+00 H2 3861 1.008000 0.423800 6.0070E+00 -7.9018E-01 6.7018E+00 O6 3862 15.999400 -0.847600 7.0921E+00 1.8279E+01 1.7375E+01 H1 3863 1.008000 0.423800 6.6057E+00 1.9089E+01 1.7704E+01 H2 3864 1.008000 0.423800 8.0319E+00 1.8294E+01 1.7716E+01 O6 3865 15.999400 -0.847600 -3.6408E+00 -1.0202E+01 -1.8223E+01 H1 3866 1.008000 0.423800 -4.6229E+00 -1.0017E+01 -1.8191E+01 H2 3867 1.008000 0.423800 -3.2950E+00 -1.0012E+01 -1.9142E+01 O6 3868 15.999400 -0.847600 9.2474E+00 -9.0975E+00 -6.9309E+00 H1 3869 1.008000 0.423800 8.9635E+00 -9.8519E+00 -6.3390E+00 H2 3870 1.008000 0.423800 8.7491E+00 -9.1474E+00 -7.7964E+00 O6 3871 15.999400 -0.847600 1.1701E+01 -1.6489E+01 -1.6170E+00 H1 3872 1.008000 0.423800 1.1158E+01 -1.7246E+01 -1.2563E+00 H2 3873 1.008000 0.423800 1.1870E+01 -1.5824E+01 -8.8947E-01 O6 3874 15.999400 -0.847600 1.9425E+01 -7.5109E-01 -4.0515E+00 H1 3875 1.008000 0.423800 1.8751E+01 -1.4857E+00 -3.9737E+00 H2 3876 1.008000 0.423800 -1.8763E+01 -1.1458E+00 -4.1804E+00 O6 3877 15.999400 -0.847600 8.5402E+00 6.3749E+00 9.0027E+00 H1 3878 1.008000 0.423800 8.8640E+00 6.2536E+00 8.0644E+00 H2 3879 1.008000 0.423800 9.3224E+00 6.5152E+00 9.6097E+00 O6 3880 15.999400 -0.847600 1.9545E+01 8.8379E+00 -7.6446E+00 H1 3881 1.008000 0.423800 -1.9312E+01 9.5130E+00 -6.9472E+00 H2 3882 1.008000 0.423800 1.8561E+01 8.8753E+00 -7.8194E+00 O6 3883 15.999400 -0.847600 -3.5374E+00 -9.9960E-01 -5.2248E-01 H1 3884 1.008000 0.423800 -3.5871E+00 -1.9922E+00 -4.1117E-01 H2 3885 1.008000 0.423800 -4.4110E+00 -5.9053E-01 -2.5900E-01 O6 3886 15.999400 -0.847600 -4.9630E+00 1.5333E+01 -1.6743E+01 H1 3887 1.008000 0.423800 -4.0652E+00 1.5560E+01 -1.6366E+01 H2 3888 1.008000 0.423800 -4.8470E+00 1.4837E+01 -1.7603E+01 O6 3889 15.999400 -0.847600 -1.0603E+01 8.2495E+00 -8.6351E+00 H1 3890 1.008000 0.423800 -1.0926E+01 8.3701E+00 -9.5738E+00 H2 3891 1.008000 0.423800 -9.6582E+00 7.9212E+00 -8.6473E+00 O6 3892 15.999400 -0.847600 7.9397E+00 -7.3202E+00 7.1391E+00 H1 3893 1.008000 0.423800 7.3331E+00 -7.6395E+00 6.4110E+00 H2 3894 1.008000 0.423800 7.6202E+00 -7.6738E+00 8.0182E+00 O6 3895 15.999400 -0.847600 1.6222E+01 5.6665E-01 -1.4083E+01 H1 3896 1.008000 0.423800 1.6787E+01 2.2127E-01 -1.3334E+01 H2 3897 1.008000 0.423800 1.5611E+01 -1.5816E-01 -1.4401E+01 O6 3898 15.999400 -0.847600 1.5536E+01 1.0932E+01 -1.5183E+01 H1 3899 1.008000 0.423800 1.6526E+01 1.0915E+01 -1.5044E+01 H2 3900 1.008000 0.423800 1.5336E+01 1.1210E+01 -1.6122E+01 O6 3901 15.999400 -0.847600 5.0670E-02 -7.1518E+00 -7.0394E-01 H1 3902 1.008000 0.423800 9.7225E-01 -7.4878E+00 -8.9838E-01 H2 3903 1.008000 0.423800 -3.0761E-03 -6.8600E+00 2.5104E-01 O6 3904 15.999400 -0.847600 -1.5379E+01 1.6332E+01 -1.9441E+01 H1 3905 1.008000 0.423800 -1.5981E+01 1.7045E+01 1.9297E+01 H2 3906 1.008000 0.423800 -1.4543E+01 1.6293E+01 1.9109E+01 O6 3907 15.999400 -0.847600 -1.5853E+01 1.5472E+01 6.7163E+00 H1 3908 1.008000 0.423800 -1.6153E+01 1.5261E+01 5.7861E+00 H2 3909 1.008000 0.423800 -1.4990E+01 1.5975E+01 6.6817E+00 O6 3910 15.999400 -0.847600 6.6978E+00 -1.2483E+01 -7.4350E+00 H1 3911 1.008000 0.423800 7.2198E+00 -1.2122E+01 -6.6618E+00 H2 3912 1.008000 0.423800 6.0126E+00 -1.1811E+01 -7.7164E+00 O6 3913 15.999400 -0.847600 -1.9547E+00 -1.5392E+01 -3.3446E+00 H1 3914 1.008000 0.423800 -1.7266E+00 -1.5274E+01 -4.3109E+00 H2 3915 1.008000 0.423800 -2.7646E+00 -1.5973E+01 -3.2623E+00 O6 3916 15.999400 -0.847600 6.0749E+00 3.3041E+00 1.2504E+01 H1 3917 1.008000 0.423800 6.1867E+00 3.6147E+00 1.1560E+01 H2 3918 1.008000 0.423800 5.4814E+00 2.4994E+00 1.2522E+01 O6 3919 15.999400 -0.847600 -7.6335E+00 -3.6258E+00 -1.0535E+01 H1 3920 1.008000 0.423800 -8.3208E+00 -2.9291E+00 -1.0741E+01 H2 3921 1.008000 0.423800 -8.0879E+00 -4.4958E+00 -1.0344E+01 O6 3922 15.999400 -0.847600 1.4260E+01 -1.1674E+00 -8.4152E+00 H1 3923 1.008000 0.423800 1.3303E+01 -1.0720E+00 -8.1424E+00 H2 3924 1.008000 0.423800 1.4807E+01 -1.4358E+00 -7.6224E+00 O6 3925 15.999400 -0.847600 -2.5932E+00 4.7856E+00 3.3116E+00 H1 3926 1.008000 0.423800 -2.9571E+00 3.8617E+00 3.4300E+00 H2 3927 1.008000 0.423800 -1.6278E+00 4.7334E+00 3.0562E+00 O6 3928 15.999400 -0.847600 1.7323E+01 -3.3488E+00 9.1475E-01 H1 3929 1.008000 0.423800 1.7539E+01 -3.0807E+00 -2.4131E-02 H2 3930 1.008000 0.423800 1.8134E+01 -3.7474E+00 1.3425E+00 O6 3931 15.999400 -0.847600 6.0668E+00 3.8587E+00 -2.9001E+00 H1 3932 1.008000 0.423800 5.3086E+00 4.1572E+00 -2.3203E+00 H2 3933 1.008000 0.423800 5.7539E+00 3.1297E+00 -3.5089E+00 O6 3934 15.999400 -0.847600 1.9546E+01 -3.6747E+00 -1.0865E+01 H1 3935 1.008000 0.423800 1.9363E+01 -3.5212E+00 -1.1836E+01 H2 3936 1.008000 0.423800 1.8684E+01 -3.6671E+00 -1.0358E+01 O6 3937 15.999400 -0.847600 -1.8238E+00 -6.9162E+00 1.2092E+01 H1 3938 1.008000 0.423800 -1.7255E+00 -5.9299E+00 1.2225E+01 H2 3939 1.008000 0.423800 -1.4343E+00 -7.1742E+00 1.1208E+01 O6 3940 15.999400 -0.847600 -1.5656E+01 -1.4246E+01 -1.8017E+01 H1 3941 1.008000 0.423800 -1.5939E+01 -1.4489E+01 -1.7089E+01 H2 3942 1.008000 0.423800 -1.5582E+01 -1.5075E+01 -1.8571E+01 O6 3943 15.999400 -0.847600 -1.5743E+01 -9.7237E+00 1.7683E+01 H1 3944 1.008000 0.423800 -1.5653E+01 -1.0606E+01 1.8146E+01 H2 3945 1.008000 0.423800 -1.6397E+01 -9.8067E+00 1.6931E+01 O6 3946 15.999400 -0.847600 1.9428E+01 3.3703E+00 -2.5053E+00 H1 3947 1.008000 0.423800 1.9036E+01 2.4923E+00 -2.2313E+00 H2 3948 1.008000 0.423800 -1.9512E+01 3.3712E+00 -3.4929E+00 O6 3949 15.999400 -0.847600 1.7007E+01 -1.8013E+01 1.3441E+01 H1 3950 1.008000 0.423800 1.6324E+01 -1.8547E+01 1.3939E+01 H2 3951 1.008000 0.423800 1.7088E+01 -1.7107E+01 1.3856E+01 O6 3952 15.999400 -0.847600 -1.8457E+01 -6.4131E+00 4.3662E+00 H1 3953 1.008000 0.423800 -1.7549E+01 -6.6685E+00 4.0338E+00 H2 3954 1.008000 0.423800 -1.9123E+01 -6.5110E+00 3.6263E+00 O6 3955 15.999400 -0.847600 -1.4023E+01 -9.4865E+00 -6.3760E-01 H1 3956 1.008000 0.423800 -1.4194E+01 -9.6869E+00 3.2712E-01 H2 3957 1.008000 0.423800 -1.3044E+01 -9.5625E+00 -8.2543E-01 O6 3958 15.999400 -0.847600 -1.2494E+01 1.1184E+01 1.1690E+01 H1 3959 1.008000 0.423800 -1.3064E+01 1.0434E+01 1.1354E+01 H2 3960 1.008000 0.423800 -1.2949E+01 1.1627E+01 1.2463E+01 O6 3961 15.999400 -0.847600 1.1940E+01 -1.9253E+01 -1.0800E+01 H1 3962 1.008000 0.423800 1.1448E+01 -1.9351E+01 -9.9345E+00 H2 3963 1.008000 0.423800 1.2428E+01 1.8995E+01 -1.1003E+01 O6 3964 15.999400 -0.847600 5.6376E-01 -1.5205E+00 -9.0146E+00 H1 3965 1.008000 0.423800 6.6566E-01 -6.1717E-01 -8.5979E+00 H2 3966 1.008000 0.423800 6.9074E-01 -2.2256E+00 -8.3169E+00 O6 3967 15.999400 -0.847600 -1.8943E+01 1.5158E+01 6.9759E+00 H1 3968 1.008000 0.423800 -1.8292E+01 1.5916E+01 6.9230E+00 H2 3969 1.008000 0.423800 -1.8784E+01 1.4641E+01 7.8169E+00 O6 3970 15.999400 -0.847600 -2.4568E+00 -6.5694E+00 -1.4178E+01 H1 3971 1.008000 0.423800 -3.2032E+00 -6.1402E+00 -1.4686E+01 H2 3972 1.008000 0.423800 -1.8632E+00 -5.8610E+00 -1.3796E+01 O6 3973 15.999400 -0.847600 1.0032E+01 -5.4329E+00 -1.6782E+01 H1 3974 1.008000 0.423800 1.0752E+01 -5.5662E+00 -1.7464E+01 H2 3975 1.008000 0.423800 1.0244E+01 -4.6294E+00 -1.6226E+01 O6 3976 15.999400 -0.847600 -3.6431E+00 1.3602E+01 -7.5322E+00 H1 3977 1.008000 0.423800 -3.5266E+00 1.4146E+01 -6.7016E+00 H2 3978 1.008000 0.423800 -3.4433E+00 1.4167E+01 -8.3323E+00 O6 3979 15.999400 -0.847600 4.4262E+00 -9.7704E+00 -6.6883E+00 H1 3980 1.008000 0.423800 4.3308E+00 -1.0512E+01 -6.0240E+00 H2 3981 1.008000 0.423800 4.3055E+00 -1.0133E+01 -7.6123E+00 O6 3982 15.999400 -0.847600 -9.0321E-01 2.0477E+00 -4.0361E+00 H1 3983 1.008000 0.423800 -2.2071E-01 1.4729E+00 -4.4876E+00 H2 3984 1.008000 0.423800 -1.6907E+00 1.4887E+00 -3.7766E+00 O6 3985 15.999400 -0.847600 1.8168E+01 -1.3209E+01 -6.3935E+00 H1 3986 1.008000 0.423800 1.7170E+01 -1.3218E+01 -6.3302E+00 H2 3987 1.008000 0.423800 1.8441E+01 -1.3073E+01 -7.3461E+00 O6 3988 15.999400 -0.847600 -1.5669E+01 2.4812E+00 1.2992E+01 H1 3989 1.008000 0.423800 -1.4786E+01 2.3749E+00 1.3450E+01 H2 3990 1.008000 0.423800 -1.5869E+01 3.4541E+00 1.2877E+01 O6 3991 15.999400 -0.847600 -4.4961E+00 1.9409E+01 1.9494E+01 H1 3992 1.008000 0.423800 -5.3038E+00 1.8940E+01 -1.9245E+01 H2 3993 1.008000 0.423800 -3.6841E+00 1.8851E+01 -1.9433E+01 O6 3994 15.999400 -0.847600 1.1659E+01 -1.4012E+00 -7.5556E+00 H1 3995 1.008000 0.423800 1.1176E+01 -2.0763E+00 -8.1134E+00 H2 3996 1.008000 0.423800 1.2193E+01 -1.8705E+00 -6.8523E+00 O6 3997 15.999400 -0.847600 1.1146E+01 5.1059E+00 -5.4930E-01 H1 3998 1.008000 0.423800 1.0535E+01 4.5255E+00 -1.0878E+00 H2 3999 1.008000 0.423800 1.0617E+01 5.8356E+00 -1.1642E-01 O6 4000 15.999400 -0.847600 -1.8970E+01 9.1051E+00 1.7086E+01 H1 4001 1.008000 0.423800 -1.9231E+01 9.6435E+00 1.7887E+01 H2 4002 1.008000 0.423800 -1.9297E+01 9.5605E+00 1.6258E+01 O6 4003 15.999400 -0.847600 1.1039E+01 -1.5555E+01 7.7553E+00 H1 4004 1.008000 0.423800 1.1270E+01 -1.6377E+01 8.2749E+00 H2 4005 1.008000 0.423800 1.1425E+01 -1.5622E+01 6.8353E+00 O6 4006 15.999400 -0.847600 -1.4423E+01 -1.3724E+01 7.0644E+00 H1 4007 1.008000 0.423800 -1.4626E+01 -1.4418E+01 7.7552E+00 H2 4008 1.008000 0.423800 -1.3706E+01 -1.3115E+01 7.4041E+00 O6 4009 15.999400 -0.847600 -8.5204E+00 -4.5232E+00 1.7129E+01 H1 4010 1.008000 0.423800 -8.2346E+00 -5.4284E+00 1.7444E+01 H2 4011 1.008000 0.423800 -9.4212E+00 -4.3083E+00 1.7507E+01 O6 4012 15.999400 -0.847600 1.6081E+01 -7.4174E+00 -1.5190E+01 H1 4013 1.008000 0.423800 1.6254E+01 -7.2200E+00 -1.4225E+01 H2 4014 1.008000 0.423800 1.5383E+01 -6.7923E+00 -1.5538E+01 O6 4015 15.999400 -0.847600 -6.5246E+00 1.8360E+01 1.5787E+01 H1 4016 1.008000 0.423800 -5.6930E+00 1.8916E+01 1.5786E+01 H2 4017 1.008000 0.423800 -6.8219E+00 1.8204E+01 1.4845E+01 O6 4018 15.999400 -0.847600 1.6969E+01 9.0590E+00 -7.9390E+00 H1 4019 1.008000 0.423800 1.6918E+01 9.2985E+00 -8.9086E+00 H2 4020 1.008000 0.423800 1.6572E+01 8.1520E+00 -7.7984E+00 O6 4021 15.999400 -0.847600 -1.4034E+01 1.7290E+01 -8.2999E+00 H1 4022 1.008000 0.423800 -1.3934E+01 1.6919E+01 -9.2233E+00 H2 4023 1.008000 0.423800 -1.3380E+01 1.6844E+01 -7.6888E+00 O6 4024 15.999400 -0.847600 1.0178E+01 -1.8971E+01 -6.1215E-01 H1 4025 1.008000 0.423800 1.0697E+01 1.9279E+01 -5.1277E-01 H2 4026 1.008000 0.423800 9.3661E+00 -1.9140E+01 -1.1711E+00 O6 4027 15.999400 -0.847600 1.1479E+01 -1.3979E+01 -1.8779E+01 H1 4028 1.008000 0.423800 1.1471E+01 -1.4595E+01 1.9531E+01 H2 4029 1.008000 0.423800 1.1604E+01 -1.4511E+01 -1.7942E+01 O6 4030 15.999400 -0.847600 1.3871E+01 5.3436E+00 -9.7626E+00 H1 4031 1.008000 0.423800 1.3772E+01 5.0162E+00 -1.0702E+01 H2 4032 1.008000 0.423800 1.2980E+01 5.3307E+00 -9.3088E+00 O6 4033 15.999400 -0.847600 -1.6747E+01 -1.4163E+01 -1.0188E+01 H1 4034 1.008000 0.423800 -1.7644E+01 -1.4267E+01 -1.0616E+01 H2 4035 1.008000 0.423800 -1.6173E+01 -1.4948E+01 -1.0421E+01 O6 4036 15.999400 -0.847600 1.5194E+01 4.3987E+00 8.3823E+00 H1 4037 1.008000 0.423800 1.4660E+01 4.6231E+00 9.1980E+00 H2 4038 1.008000 0.423800 1.5887E+01 5.1032E+00 8.2333E+00 O6 4039 15.999400 -0.847600 -9.5292E+00 1.3986E+01 8.3190E+00 H1 4040 1.008000 0.423800 -8.6086E+00 1.3965E+01 8.7088E+00 H2 4041 1.008000 0.423800 -1.0170E+01 1.4348E+01 8.9959E+00 O6 4042 15.999400 -0.847600 -1.4387E+01 5.2626E-01 -9.8658E-02 H1 4043 1.008000 0.423800 -1.3534E+01 6.4977E-01 4.0818E-01 H2 4044 1.008000 0.423800 -1.4877E+01 -2.6704E-01 2.6235E-01 O6 4045 15.999400 -0.847600 1.9405E+01 1.6813E+01 -1.0932E+01 H1 4046 1.008000 0.423800 -1.8916E+01 1.6386E+01 -1.1396E+01 H2 4047 1.008000 0.423800 -1.9535E+01 1.6806E+01 -9.9444E+00 O6 4048 15.999400 -0.847600 1.2356E+01 -1.6062E+01 5.2335E+00 H1 4049 1.008000 0.423800 1.2818E+01 -1.6906E+01 5.5041E+00 H2 4050 1.008000 0.423800 1.1405E+01 -1.6262E+01 4.9981E+00 O6 4051 15.999400 -0.847600 -8.6050E+00 -9.4587E+00 1.8266E+01 H1 4052 1.008000 0.423800 -7.7317E+00 -9.9416E+00 1.8201E+01 H2 4053 1.008000 0.423800 -8.4531E+00 -8.4776E+00 1.8147E+01 O6 4054 15.999400 -0.847600 1.3648E+01 -1.7968E+01 6.6615E+00 H1 4055 1.008000 0.423800 1.4614E+01 -1.7760E+01 6.5084E+00 H2 4056 1.008000 0.423800 1.3482E+01 -1.8081E+01 7.6412E+00 O6 4057 15.999400 -0.847600 3.0279E+00 5.8043E+00 -1.6924E+01 H1 4058 1.008000 0.423800 2.4132E+00 6.1718E+00 -1.7622E+01 H2 4059 1.008000 0.423800 2.5065E+00 5.5977E+00 -1.6096E+01 O6 4060 15.999400 -0.847600 1.7073E+01 -1.6449E+01 1.7645E+01 H1 4061 1.008000 0.423800 1.6722E+01 -1.6409E+01 1.8581E+01 H2 4062 1.008000 0.423800 1.7059E+01 -1.7396E+01 1.7325E+01 O6 4063 15.999400 -0.847600 -1.0501E+01 1.8414E+01 9.2932E+00 H1 4064 1.008000 0.423800 -9.8046E+00 1.7859E+01 9.7489E+00 H2 4065 1.008000 0.423800 -1.0614E+01 1.9277E+01 9.7858E+00 O6 4066 15.999400 -0.847600 -1.4986E+01 1.4064E+01 -1.4918E+00 H1 4067 1.008000 0.423800 -1.5844E+01 1.3809E+01 -1.9364E+00 H2 4068 1.008000 0.423800 -1.4813E+01 1.3448E+01 -7.2279E-01 O6 4069 15.999400 -0.847600 -3.5520E+00 1.3186E+01 -1.9098E+01 H1 4070 1.008000 0.423800 -4.3395E+00 1.2572E+01 -1.9152E+01 H2 4071 1.008000 0.423800 -3.6428E+00 1.3906E+01 1.9312E+01 O6 4072 15.999400 -0.847600 -1.6110E+00 -7.0714E+00 -6.3977E+00 H1 4073 1.008000 0.423800 -2.4132E+00 -7.0792E+00 -5.8006E+00 H2 4074 1.008000 0.423800 -9.2208E-01 -7.7009E+00 -6.0384E+00 O6 4075 15.999400 -0.847600 -4.4768E+00 4.3426E+00 1.8797E+01 H1 4076 1.008000 0.423800 -3.6626E+00 4.9213E+00 1.8845E+01 H2 4077 1.008000 0.423800 -4.5409E+00 3.7888E+00 -1.9470E+01 O6 4078 15.999400 -0.847600 -3.2715E+00 -9.1720E+00 1.5737E+01 H1 4079 1.008000 0.423800 -2.3094E+00 -8.9984E+00 1.5527E+01 H2 4080 1.008000 0.423800 -3.7735E+00 -8.3071E+00 1.5739E+01 O6 4081 15.999400 -0.847600 2.1021E+00 -1.8212E+01 -1.6300E+01 H1 4082 1.008000 0.423800 2.9929E+00 -1.7911E+01 -1.5960E+01 H2 4083 1.008000 0.423800 1.8945E+00 -1.7738E+01 -1.7156E+01 O6 4084 15.999400 -0.847600 1.2217E+01 1.4881E+01 2.0029E+00 H1 4085 1.008000 0.423800 1.2709E+01 1.5394E+01 1.2999E+00 H2 4086 1.008000 0.423800 1.2865E+01 1.4330E+01 2.5288E+00 O6 4087 15.999400 -0.847600 -7.3834E+00 1.4600E+01 1.0133E+01 H1 4088 1.008000 0.423800 -7.3769E+00 1.4885E+01 1.1092E+01 H2 4089 1.008000 0.423800 -6.8122E+00 1.3787E+01 1.0023E+01 O6 4090 15.999400 -0.847600 -1.3532E+01 1.1435E+01 -6.6912E+00 H1 4091 1.008000 0.423800 -1.3617E+01 1.0674E+01 -6.0487E+00 H2 4092 1.008000 0.423800 -1.2717E+01 1.1305E+01 -7.2561E+00 O6 4093 15.999400 -0.847600 -3.6285E+00 -8.7043E-02 7.0750E+00 H1 4094 1.008000 0.423800 -3.9681E+00 -6.4521E-01 7.8321E+00 H2 4095 1.008000 0.423800 -4.3925E+00 3.9850E-01 6.6500E+00 O6 4096 15.999400 -0.847600 -6.0539E+00 1.8605E+00 6.9506E+00 H1 4097 1.008000 0.423800 -5.2744E+00 2.4609E+00 6.7725E+00 H2 4098 1.008000 0.423800 -6.3966E+00 2.0248E+00 7.8756E+00 O6 4099 15.999400 -0.847600 -1.2255E+01 4.7524E+00 4.3070E+00 H1 4100 1.008000 0.423800 -1.2966E+01 4.5031E+00 3.6493E+00 H2 4101 1.008000 0.423800 -1.1576E+01 5.3341E+00 3.8593E+00 O6 4102 15.999400 -0.847600 7.2743E-01 -8.8357E+00 1.8024E+01 H1 4103 1.008000 0.423800 7.8001E-01 -9.7579E+00 1.8408E+01 H2 4104 1.008000 0.423800 2.7577E-02 -8.3123E+00 1.8510E+01 O6 4105 15.999400 -0.847600 1.2349E+01 -1.6845E+00 -3.3440E+00 H1 4106 1.008000 0.423800 1.3250E+01 -1.5868E+00 -2.9222E+00 H2 4107 1.008000 0.423800 1.1667E+01 -1.2101E+00 -2.7871E+00 O6 4108 15.999400 -0.847600 1.6095E+01 -8.8341E-01 1.2251E+01 H1 4109 1.008000 0.423800 1.6452E+01 -1.2887E+00 1.3093E+01 H2 4110 1.008000 0.423800 1.6241E+01 1.0578E-01 1.2270E+01 O6 4111 15.999400 -0.847600 4.2129E+00 -1.1329E+01 1.4114E+01 H1 4112 1.008000 0.423800 4.8449E+00 -1.1597E+01 1.4842E+01 H2 4113 1.008000 0.423800 4.5593E+00 -1.0510E+01 1.3657E+01 O6 4114 15.999400 -0.847600 -3.1576E+00 -1.5529E+01 1.7643E+01 H1 4115 1.008000 0.423800 -3.4143E+00 -1.4564E+01 1.7684E+01 H2 4116 1.008000 0.423800 -2.1643E+00 -1.5614E+01 1.7721E+01 O6 4117 15.999400 -0.847600 -1.6591E+01 1.5424E+01 1.6340E+01 H1 4118 1.008000 0.423800 -1.6405E+01 1.4711E+01 1.7016E+01 H2 4119 1.008000 0.423800 -1.7579E+01 1.5556E+01 1.6259E+01 O6 4120 15.999400 -0.847600 6.7148E+00 1.8254E+01 -5.2318E+00 H1 4121 1.008000 0.423800 6.2823E+00 1.7587E+01 -4.6255E+00 H2 4122 1.008000 0.423800 7.0007E+00 1.7801E+01 -6.0762E+00 O6 4123 15.999400 -0.847600 1.3250E+01 1.1371E+01 1.2420E+01 H1 4124 1.008000 0.423800 1.3950E+01 1.1936E+01 1.1983E+01 H2 4125 1.008000 0.423800 1.3110E+01 1.1682E+01 1.3360E+01 O6 4126 15.999400 -0.847600 1.6764E+01 1.4554E+01 4.8564E+00 H1 4127 1.008000 0.423800 1.6602E+01 1.4329E+01 5.8172E+00 H2 4128 1.008000 0.423800 1.5976E+01 1.4271E+01 4.3102E+00 O6 4129 15.999400 -0.847600 -3.1963E+00 -1.1596E+01 1.2005E+01 H1 4130 1.008000 0.423800 -2.2511E+00 -1.1274E+01 1.1949E+01 H2 4131 1.008000 0.423800 -3.5624E+00 -1.1399E+01 1.2915E+01 O6 4132 15.999400 -0.847600 1.6307E+01 1.6577E+01 1.6839E+01 H1 4133 1.008000 0.423800 1.6123E+01 1.6006E+01 1.6039E+01 H2 4134 1.008000 0.423800 1.6804E+01 1.6042E+01 1.7522E+01 O6 4135 15.999400 -0.847600 7.7555E+00 -1.7009E+01 -9.1383E+00 H1 4136 1.008000 0.423800 7.8341E+00 -1.6042E+01 -9.3839E+00 H2 4137 1.008000 0.423800 8.6114E+00 -1.7318E+01 -8.7240E+00 O6 4138 15.999400 -0.847600 1.3176E+01 -1.2519E+01 5.9979E+00 H1 4139 1.008000 0.423800 1.2674E+01 -1.2929E+01 5.2362E+00 H2 4140 1.008000 0.423800 1.3725E+01 -1.3221E+01 6.4517E+00 O6 4141 15.999400 -0.847600 -4.1697E+00 1.2908E+01 -1.1647E+01 H1 4142 1.008000 0.423800 -4.1168E+00 1.3654E+01 -1.2310E+01 H2 4143 1.008000 0.423800 -4.9942E+00 1.3014E+01 -1.1091E+01 O6 4144 15.999400 -0.847600 -1.2926E+01 -1.3843E+01 -1.7427E+01 H1 4145 1.008000 0.423800 -1.2279E+01 -1.3744E+01 -1.8182E+01 H2 4146 1.008000 0.423800 -1.3856E+01 -1.3897E+01 -1.7790E+01 O6 4147 15.999400 -0.847600 1.4775E+00 1.4910E+01 -1.8806E+01 H1 4148 1.008000 0.423800 1.8988E+00 1.4571E+01 -1.7964E+01 H2 4149 1.008000 0.423800 4.8717E-01 1.4971E+01 -1.8681E+01 O6 4150 15.999400 -0.847600 1.1776E+01 -2.1312E+00 1.1718E+01 H1 4151 1.008000 0.423800 1.1256E+01 -1.3022E+00 1.1923E+01 H2 4152 1.008000 0.423800 1.1211E+01 -2.9344E+00 1.1907E+01 O6 4153 15.999400 -0.847600 2.3732E-01 -5.8926E+00 1.5920E+00 H1 4154 1.008000 0.423800 6.4055E-01 -5.3458E+00 2.3258E+00 H2 4155 1.008000 0.423800 -5.1141E-01 -6.4439E+00 1.9602E+00 O6 4156 15.999400 -0.847600 1.2965E+01 -3.7781E+00 1.4862E+01 H1 4157 1.008000 0.423800 1.2690E+01 -3.2493E+00 1.4059E+01 H2 4158 1.008000 0.423800 1.2568E+01 -3.3680E+00 1.5683E+01 O6 4159 15.999400 -0.847600 -1.2916E-02 9.6094E+00 -1.2108E+01 H1 4160 1.008000 0.423800 4.3208E-01 9.3119E+00 -1.1264E+01 H2 4161 1.008000 0.423800 -1.2051E-01 8.8271E+00 -1.2722E+01 O6 4162 15.999400 -0.847600 -1.8960E+01 1.6081E+00 -1.2348E+01 H1 4163 1.008000 0.423800 -1.9187E+01 2.2933E+00 -1.3040E+01 H2 4164 1.008000 0.423800 -1.8026E+01 1.2829E+00 -1.2496E+01 O6 4165 15.999400 -0.847600 -3.3671E+00 -1.3547E-01 -1.5182E+01 H1 4166 1.008000 0.423800 -2.5116E+00 1.8826E-01 -1.5587E+01 H2 4167 1.008000 0.423800 -3.3530E+00 2.9267E-02 -1.4196E+01 O6 4168 15.999400 -0.847600 2.7709E+00 3.2310E+00 9.0507E+00 H1 4169 1.008000 0.423800 2.6028E+00 3.6147E+00 9.9587E+00 H2 4170 1.008000 0.423800 3.2841E+00 3.8896E+00 8.5003E+00 O6 4171 15.999400 -0.847600 8.4264E+00 -1.7690E+01 -5.6980E+00 H1 4172 1.008000 0.423800 7.4870E+00 -1.7969E+01 -5.4988E+00 H2 4173 1.008000 0.423800 8.8098E+00 -1.8289E+01 -6.4011E+00 O6 4174 15.999400 -0.847600 2.6860E+00 8.2794E+00 1.8080E+01 H1 4175 1.008000 0.423800 3.6699E+00 8.4123E+00 1.7961E+01 H2 4176 1.008000 0.423800 2.2028E+00 9.1155E+00 1.7821E+01 O6 4177 15.999400 -0.847600 -9.8544E+00 -1.0585E+01 -1.1687E+01 H1 4178 1.008000 0.423800 -9.8521E+00 -1.0633E+01 -1.0688E+01 H2 4179 1.008000 0.423800 -9.5456E+00 -9.6797E+00 -1.1978E+01 O6 4180 15.999400 -0.847600 1.7126E+00 -1.3531E+01 7.9568E+00 H1 4181 1.008000 0.423800 2.0003E+00 -1.3254E+01 7.0400E+00 H2 4182 1.008000 0.423800 7.1787E-01 -1.3459E+01 8.0298E+00 O6 4183 15.999400 -0.847600 1.9515E+01 -6.3453E+00 -1.5171E+01 H1 4184 1.008000 0.423800 -1.8584E+01 -6.4031E+00 -1.5189E+01 H2 4185 1.008000 0.423800 1.9126E+01 -7.2143E+00 -1.5475E+01 O6 4186 15.999400 -0.847600 9.7038E+00 -1.4084E+01 1.1232E+01 H1 4187 1.008000 0.423800 1.0365E+01 -1.3494E+01 1.0769E+01 H2 4188 1.008000 0.423800 8.8072E+00 -1.3981E+01 1.0801E+01 O6 4189 15.999400 -0.847600 -8.5376E+00 -1.8625E+01 1.3482E+00 H1 4190 1.008000 0.423800 -7.8408E+00 -1.8563E+01 2.0627E+00 H2 4191 1.008000 0.423800 -8.0981E+00 -1.8594E+01 4.5049E-01 O6 4192 15.999400 -0.847600 6.4044E+00 9.7097E+00 -3.4708E+00 H1 4193 1.008000 0.423800 5.4153E+00 9.5865E+00 -3.3901E+00 H2 4194 1.008000 0.423800 6.7975E+00 9.8541E+00 -2.5627E+00 O6 4195 15.999400 -0.847600 1.2671E+01 -1.7983E+01 9.8454E+00 H1 4196 1.008000 0.423800 1.3524E+01 -1.7782E+01 1.0327E+01 H2 4197 1.008000 0.423800 1.2457E+01 -1.8955E+01 9.9368E+00 O6 4198 15.999400 -0.847600 -1.9291E+01 -1.4822E+01 -1.1254E+01 H1 4199 1.008000 0.423800 -1.9533E+01 -1.3907E+01 -1.0931E+01 H2 4200 1.008000 0.423800 1.8975E+01 -1.5318E+01 -1.1506E+01 O6 4201 15.999400 -0.847600 -1.4581E+00 -2.8938E+00 1.7463E+00 H1 4202 1.008000 0.423800 -7.2713E-01 -2.8184E+00 2.4246E+00 H2 4203 1.008000 0.423800 -1.1642E+00 -2.4673E+00 8.9089E-01 O6 4204 15.999400 -0.847600 2.8757E+00 -1.2607E+01 5.6842E+00 H1 4205 1.008000 0.423800 2.1758E+00 -1.2363E+01 5.0131E+00 H2 4206 1.008000 0.423800 3.7023E+00 -1.2071E+01 5.5141E+00 O6 4207 15.999400 -0.847600 3.1935E+00 -1.2207E+01 9.9660E+00 H1 4208 1.008000 0.423800 3.1314E+00 -1.1215E+01 9.8534E+00 H2 4209 1.008000 0.423800 2.7448E+00 -1.2659E+01 9.1948E+00 O6 4210 15.999400 -0.847600 1.3083E+01 1.0936E+01 -9.0779E+00 H1 4211 1.008000 0.423800 1.3480E+01 1.1568E+01 -8.4122E+00 H2 4212 1.008000 0.423800 1.2087E+01 1.0948E+01 -8.9963E+00 O6 4213 15.999400 -0.847600 1.6628E+01 3.9602E+00 -1.5506E+01 H1 4214 1.008000 0.423800 1.7340E+01 4.6426E+00 -1.5673E+01 H2 4215 1.008000 0.423800 1.6802E+01 3.1523E+00 -1.6069E+01 O6 4216 15.999400 -0.847600 1.0089E+01 -1.8727E+01 -7.7416E+00 H1 4217 1.008000 0.423800 1.0981E+01 -1.8407E+01 -7.4221E+00 H2 4218 1.008000 0.423800 1.0182E+01 1.9452E+01 -8.1262E+00 O6 4219 15.999400 -0.847600 6.9800E+00 1.0544E+01 7.5056E+00 H1 4220 1.008000 0.423800 7.9334E+00 1.0839E+01 7.5716E+00 H2 4221 1.008000 0.423800 6.8771E+00 9.6487E+00 7.9393E+00 O6 4222 15.999400 -0.847600 -1.9203E+01 1.4081E+01 1.5812E+01 H1 4223 1.008000 0.423800 -1.9090E+01 1.3480E+01 1.6604E+01 H2 4224 1.008000 0.423800 -1.9152E+01 1.3540E+01 1.4973E+01 O6 4225 15.999400 -0.847600 -1.0079E+01 -1.7896E+01 1.1139E+01 H1 4226 1.008000 0.423800 -1.0936E+01 -1.7392E+01 1.1240E+01 H2 4227 1.008000 0.423800 -9.4968E+00 -1.7433E+01 1.0470E+01 O6 4228 15.999400 -0.847600 2.1640E+00 -3.1423E+00 -1.8982E+00 H1 4229 1.008000 0.423800 2.9792E+00 -2.8400E+00 -2.3923E+00 H2 4230 1.008000 0.423800 2.4381E+00 -3.6724E+00 -1.0958E+00 O6 4231 15.999400 -0.847600 1.3883E+01 -5.6080E+00 -1.0638E+01 H1 4232 1.008000 0.423800 1.4500E+01 -4.9962E+00 -1.1132E+01 H2 4233 1.008000 0.423800 1.4310E+01 -5.8906E+00 -9.7795E+00 O6 4234 15.999400 -0.847600 1.7035E+01 -1.6262E+01 -5.7994E+00 H1 4235 1.008000 0.423800 1.7005E+01 -1.6057E+01 -4.8210E+00 H2 4236 1.008000 0.423800 1.6477E+01 -1.5597E+01 -6.2962E+00 O6 4237 15.999400 -0.847600 1.3359E+01 1.8542E+01 -2.4512E+00 H1 4238 1.008000 0.423800 1.3297E+01 1.9280E+01 -1.7788E+00 H2 4239 1.008000 0.423800 1.2874E+01 1.7737E+01 -2.1095E+00 O6 4240 15.999400 -0.847600 -1.2077E+01 -1.9357E+01 5.2963E+00 H1 4241 1.008000 0.423800 -1.1687E+01 -1.9296E+01 4.3776E+00 H2 4242 1.008000 0.423800 -1.1767E+01 1.8897E+01 5.7348E+00 O6 4243 15.999400 -0.847600 -1.6580E+01 5.4858E+00 3.4501E-01 H1 4244 1.008000 0.423800 -1.5741E+01 5.2255E+00 8.2201E-01 H2 4245 1.008000 0.423800 -1.7047E+01 6.2043E+00 8.6035E-01 O6 4246 15.999400 -0.847600 -7.2836E+00 8.4480E+00 1.6706E+00 H1 4247 1.008000 0.423800 -7.4170E+00 9.4263E+00 1.5120E+00 H2 4248 1.008000 0.423800 -8.1406E+00 7.9625E+00 1.4981E+00 O6 4249 15.999400 -0.847600 -1.5330E+01 -7.7621E+00 1.2740E+01 H1 4250 1.008000 0.423800 -1.4922E+01 -7.3189E+00 1.1942E+01 H2 4251 1.008000 0.423800 -1.6323E+01 -7.8035E+00 1.2626E+01 O6 4252 15.999400 -0.847600 -6.2316E+00 7.5337E+00 4.1588E+00 H1 4253 1.008000 0.423800 -6.7697E+00 8.1466E+00 3.5803E+00 H2 4254 1.008000 0.423800 -6.5703E+00 7.5795E+00 5.0986E+00 O6 4255 15.999400 -0.847600 -8.8661E+00 4.8822E+00 -7.0520E+00 H1 4256 1.008000 0.423800 -9.2558E+00 4.0144E+00 -6.7436E+00 H2 4257 1.008000 0.423800 -9.3326E+00 5.6386E+00 -6.5936E+00 O6 4258 15.999400 -0.847600 2.9263E+00 9.5992E-01 -2.6899E+00 H1 4259 1.008000 0.423800 2.0124E+00 6.2800E-01 -2.4563E+00 H2 4260 1.008000 0.423800 3.5550E+00 7.6242E-01 -1.9378E+00 O6 4261 15.999400 -0.847600 2.4828E+00 -7.6402E+00 -1.6692E+00 H1 4262 1.008000 0.423800 3.1184E+00 -7.3958E+00 -9.3684E-01 H2 4263 1.008000 0.423800 2.5710E+00 -8.6146E+00 -1.8757E+00 O6 4264 15.999400 -0.847600 -2.3940E+00 1.2045E+01 -1.6480E+01 H1 4265 1.008000 0.423800 -3.2092E+00 1.2140E+01 -1.5909E+01 H2 4266 1.008000 0.423800 -2.6502E+00 1.2129E+01 -1.7443E+01 O6 4267 15.999400 -0.847600 -1.9477E+01 -1.3980E+01 1.0815E+01 H1 4268 1.008000 0.423800 -1.9383E+01 -1.4504E+01 9.9682E+00 H2 4269 1.008000 0.423800 -1.9286E+01 -1.3016E+01 1.0632E+01 O6 4270 15.999400 -0.847600 8.0477E+00 -9.8765E+00 1.0876E+01 H1 4271 1.008000 0.423800 7.7647E+00 -1.0640E+01 1.0295E+01 H2 4272 1.008000 0.423800 7.7757E+00 -1.0058E+01 1.1821E+01 O6 4273 15.999400 -0.847600 -1.3799E+01 1.0510E+01 3.8281E+00 H1 4274 1.008000 0.423800 -1.4539E+01 9.8454E+00 3.7247E+00 H2 4275 1.008000 0.423800 -1.3876E+01 1.1208E+01 3.1161E+00 O6 4276 15.999400 -0.847600 1.0717E+01 1.5032E+01 -8.9768E+00 H1 4277 1.008000 0.423800 1.0372E+01 1.5639E+01 -9.6922E+00 H2 4278 1.008000 0.423800 1.1694E+01 1.4873E+01 -9.1173E+00 O6 4279 15.999400 -0.847600 8.1596E+00 1.3769E+01 -3.0186E+00 H1 4280 1.008000 0.423800 7.4459E+00 1.3652E+01 -3.7093E+00 H2 4281 1.008000 0.423800 8.9325E+00 1.4262E+01 -3.4182E+00 O6 4282 15.999400 -0.847600 1.6844E+01 1.1475E+01 2.6889E+00 H1 4283 1.008000 0.423800 1.6553E+01 1.2046E+01 1.9219E+00 H2 4284 1.008000 0.423800 1.6048E+01 1.1224E+01 3.2391E+00 O6 4285 15.999400 -0.847600 4.0286E+00 1.2251E+01 -7.5620E+00 H1 4286 1.008000 0.423800 3.4244E+00 1.2940E+01 -7.1609E+00 H2 4287 1.008000 0.423800 4.7375E+00 1.2005E+01 -6.9012E+00 O6 4288 15.999400 -0.847600 -9.3672E+00 1.5571E+01 6.2287E+00 H1 4289 1.008000 0.423800 -9.3805E+00 1.5046E+01 7.0801E+00 H2 4290 1.008000 0.423800 -8.4841E+00 1.5449E+01 5.7758E+00 O6 4291 15.999400 -0.847600 -3.4765E+00 1.5418E+01 -5.6083E+00 H1 4292 1.008000 0.423800 -3.0881E+00 1.6290E+01 -5.9069E+00 H2 4293 1.008000 0.423800 -4.3588E+00 1.5580E+01 -5.1665E+00 O6 4294 15.999400 -0.847600 -1.2364E+01 1.5479E+01 -1.7170E+01 H1 4295 1.008000 0.423800 -1.1887E+01 1.6358E+01 -1.7177E+01 H2 4296 1.008000 0.423800 -1.2899E+01 1.5397E+01 -1.6329E+01 O6 4297 15.999400 -0.847600 -1.2507E+01 1.2660E+00 -4.3084E+00 H1 4298 1.008000 0.423800 -1.2128E+01 2.0342E+00 -3.7921E+00 H2 4299 1.008000 0.423800 -1.3235E+01 8.3407E-01 -3.7769E+00 O6 4300 15.999400 -0.847600 -1.5320E+00 -1.3511E+01 -1.4590E+00 H1 4301 1.008000 0.423800 -1.6119E+00 -1.3982E+01 -5.8047E-01 H2 4302 1.008000 0.423800 -1.6406E+00 -1.4171E+01 -2.2022E+00 O6 4303 15.999400 -0.847600 1.3695E+01 1.5601E+01 5.9802E+00 H1 4304 1.008000 0.423800 1.3300E+01 1.5613E+01 6.8990E+00 H2 4305 1.008000 0.423800 1.3191E+01 1.6234E+01 5.3925E+00 O6 4306 15.999400 -0.847600 -3.9795E-01 1.3977E+01 1.0417E+01 H1 4307 1.008000 0.423800 3.3188E-02 1.4244E+01 9.5549E+00 H2 4308 1.008000 0.423800 -6.9635E-01 1.3024E+01 1.0359E+01 O6 4309 15.999400 -0.847600 4.6852E+00 1.4740E+00 9.4569E+00 H1 4310 1.008000 0.423800 4.7303E+00 9.0089E-01 8.6387E+00 H2 4311 1.008000 0.423800 4.1167E+00 2.2755E+00 9.2715E+00 O6 4312 15.999400 -0.847600 -5.0404E-01 5.4444E+00 8.2499E+00 H1 4313 1.008000 0.423800 1.9802E-01 6.1436E+00 8.1146E+00 H2 4314 1.008000 0.423800 -8.6711E-01 5.1606E+00 7.3625E+00 O6 4315 15.999400 -0.847600 1.8390E+01 -6.9242E+00 -6.3826E-01 H1 4316 1.008000 0.423800 1.9359E+01 -7.0539E+00 -8.4472E-01 H2 4317 1.008000 0.423800 1.8123E+01 -7.5347E+00 1.0754E-01 O6 4318 15.999400 -0.847600 1.0871E+01 1.1398E+01 -1.3164E+01 H1 4319 1.008000 0.423800 1.0584E+01 1.0637E+01 -1.2583E+01 H2 4320 1.008000 0.423800 1.0497E+01 1.2252E+01 -1.2802E+01 O6 4321 15.999400 -0.847600 -1.3597E+01 -1.6234E+00 5.1688E+00 H1 4322 1.008000 0.423800 -1.3166E+01 -1.0679E+00 5.8797E+00 H2 4323 1.008000 0.423800 -1.3336E+01 -1.2748E+00 4.2688E+00 O6 4324 15.999400 -0.847600 5.5774E+00 1.6182E+01 -3.8048E+00 H1 4325 1.008000 0.423800 5.8036E+00 1.5239E+01 -4.0495E+00 H2 4326 1.008000 0.423800 4.9465E+00 1.6183E+01 -3.0290E+00 O6 4327 15.999400 -0.847600 -8.3408E+00 5.0364E+00 7.0243E+00 H1 4328 1.008000 0.423800 -7.9667E+00 5.0254E+00 6.0970E+00 H2 4329 1.008000 0.423800 -8.3605E+00 4.1046E+00 7.3869E+00 O6 4330 15.999400 -0.847600 1.6831E+01 1.0960E+01 1.2745E+01 H1 4331 1.008000 0.423800 1.7536E+01 1.0852E+01 1.2044E+01 H2 4332 1.008000 0.423800 1.6270E+01 1.0134E+01 1.2784E+01 O6 4333 15.999400 -0.847600 -8.3876E+00 1.9453E+01 -1.7129E+01 H1 4334 1.008000 0.423800 -8.7043E+00 -1.8719E+01 -1.7334E+01 H2 4335 1.008000 0.423800 -7.9342E+00 1.9069E+01 -1.7933E+01 O6 4336 15.999400 -0.847600 -1.1495E+00 -1.7868E+01 1.7185E+01 H1 4337 1.008000 0.423800 -1.7246E+00 -1.8540E+01 1.6718E+01 H2 4338 1.008000 0.423800 -1.1533E+00 -1.8053E+01 1.8168E+01 O6 4339 15.999400 -0.847600 7.9288E+00 1.0776E+01 4.7336E+00 H1 4340 1.008000 0.423800 8.4828E+00 1.1608E+01 4.7587E+00 H2 4341 1.008000 0.423800 7.0296E+00 1.0962E+01 5.1296E+00 O6 4342 15.999400 -0.847600 6.2572E-01 1.8201E+01 3.2110E+00 H1 4343 1.008000 0.423800 6.5045E-01 1.7513E+01 3.9358E+00 H2 4344 1.008000 0.423800 -2.6054E-01 1.8664E+01 3.2212E+00 O6 4345 15.999400 -0.847600 -1.5571E+01 1.2886E+01 -1.3853E+01 H1 4346 1.008000 0.423800 -1.5214E+01 1.2381E+01 -1.4638E+01 H2 4347 1.008000 0.423800 -1.6086E+01 1.3680E+01 -1.4174E+01 O6 4348 15.999400 -0.847600 1.6767E+01 1.7328E+01 4.2360E+00 H1 4349 1.008000 0.423800 1.6849E+01 1.6396E+01 4.5885E+00 H2 4350 1.008000 0.423800 1.7351E+01 1.7432E+01 3.4307E+00 O6 4351 15.999400 -0.847600 -7.4671E+00 4.6653E+00 -3.6256E+00 H1 4352 1.008000 0.423800 -7.3954E+00 3.8038E+00 -4.1285E+00 H2 4353 1.008000 0.423800 -8.3674E+00 5.0702E+00 -3.7849E+00 O6 4354 15.999400 -0.847600 3.5091E+00 1.9072E+01 1.5448E+01 H1 4355 1.008000 0.423800 2.9035E+00 1.9132E+01 1.4654E+01 H2 4356 1.008000 0.423800 4.4321E+00 1.8834E+01 1.5146E+01 O6 4357 15.999400 -0.847600 3.1085E+00 -2.5489E+00 1.4900E+01 H1 4358 1.008000 0.423800 3.4247E+00 -1.6322E+00 1.4655E+01 H2 4359 1.008000 0.423800 2.1584E+00 -2.6622E+00 1.4609E+01 O6 4360 15.999400 -0.847600 9.0252E+00 -6.9755E+00 -1.2895E+01 H1 4361 1.008000 0.423800 8.1925E+00 -6.5502E+00 -1.2540E+01 H2 4362 1.008000 0.423800 9.8173E+00 -6.4209E+00 -1.2639E+01 O6 4363 15.999400 -0.847600 1.8794E+01 1.0862E+01 -1.9394E+01 H1 4364 1.008000 0.423800 1.8206E+01 1.0831E+01 1.8895E+01 H2 4365 1.008000 0.423800 -1.9440E+01 1.1308E+01 1.9471E+01 O6 4366 15.999400 -0.847600 3.7873E+00 -6.2944E+00 6.6818E+00 H1 4367 1.008000 0.423800 3.4317E+00 -6.0848E+00 5.7709E+00 H2 4368 1.008000 0.423800 3.3787E+00 -7.1454E+00 7.0114E+00 O6 4369 15.999400 -0.847600 -1.7125E+01 -1.6900E+01 1.6817E+00 H1 4370 1.008000 0.423800 -1.7029E+01 -1.7279E+01 2.6022E+00 H2 4371 1.008000 0.423800 -1.6962E+01 -1.7620E+01 1.0065E+00 O6 4372 15.999400 -0.847600 -6.6627E+00 -8.0644E+00 1.3322E+01 H1 4373 1.008000 0.423800 -6.0507E+00 -8.2053E+00 1.2544E+01 H2 4374 1.008000 0.423800 -7.4357E+00 -7.4963E+00 1.3039E+01 O6 4375 15.999400 -0.847600 1.6091E+01 1.0434E+01 6.6309E+00 H1 4376 1.008000 0.423800 1.7054E+01 1.0236E+01 6.4488E+00 H2 4377 1.008000 0.423800 1.5571E+01 9.5799E+00 6.6397E+00 O6 4378 15.999400 -0.847600 1.0740E+00 -3.3833E+00 -7.2472E+00 H1 4379 1.008000 0.423800 1.1931E-01 -3.6287E+00 -7.0786E+00 H2 4380 1.008000 0.423800 1.6534E+00 -3.7971E+00 -6.5451E+00 O6 4381 15.999400 -0.847600 1.2814E+01 -1.1269E+01 1.6528E+01 H1 4382 1.008000 0.423800 1.2263E+01 -1.1334E+01 1.5696E+01 H2 4383 1.008000 0.423800 1.3749E+01 -1.1564E+01 1.6332E+01 O6 4384 15.999400 -0.847600 6.6976E+00 1.0331E+01 -2.9283E-01 H1 4385 1.008000 0.423800 7.4602E+00 1.0860E+01 -6.6519E-01 H2 4386 1.008000 0.423800 7.0305E+00 9.7364E+00 4.3887E-01 O6 4387 15.999400 -0.847600 3.9127E+00 -1.4771E+01 -5.2187E+00 H1 4388 1.008000 0.423800 3.2181E+00 -1.4203E+01 -4.7783E+00 H2 4389 1.008000 0.423800 4.7893E+00 -1.4647E+01 -4.7538E+00 O6 4390 15.999400 -0.847600 -1.8929E+01 1.8651E+01 -1.6413E+01 H1 4391 1.008000 0.423800 -1.8282E+01 1.9070E+01 -1.7050E+01 H2 4392 1.008000 0.423800 -1.8545E+01 1.8666E+01 -1.5490E+01 O6 4393 15.999400 -0.847600 -1.2337E+01 1.6667E+01 3.1823E+00 H1 4394 1.008000 0.423800 -1.1522E+01 1.7235E+01 3.0672E+00 H2 4395 1.008000 0.423800 -1.2518E+01 1.6168E+01 2.3349E+00 O6 4396 15.999400 -0.847600 6.0687E-01 -3.7561E-01 5.7865E+00 H1 4397 1.008000 0.423800 1.4756E+00 4.8939E-02 6.0415E+00 H2 4398 1.008000 0.423800 6.9641E-01 -8.0373E-01 4.8873E+00 O6 4399 15.999400 -0.847600 8.6318E+00 1.1192E+01 -2.2992E+00 H1 4400 1.008000 0.423800 9.6045E+00 1.1176E+01 -2.5309E+00 H2 4401 1.008000 0.423800 8.3335E+00 1.2138E+01 -2.1787E+00 O6 4402 15.999400 -0.847600 2.3290E+00 -1.5865E+01 7.7500E-01 H1 4403 1.008000 0.423800 2.7153E+00 -1.5949E+01 -1.4354E-01 H2 4404 1.008000 0.423800 1.6685E+00 -1.5114E+01 7.9120E-01 O6 4405 15.999400 -0.847600 8.2721E+00 -6.0301E+00 1.1841E+01 H1 4406 1.008000 0.423800 8.5959E+00 -6.8691E+00 1.2279E+01 H2 4407 1.008000 0.423800 7.8280E+00 -6.2563E+00 1.0975E+01 O6 4408 15.999400 -0.847600 4.4779E+00 -1.0911E+01 -9.1323E+00 H1 4409 1.008000 0.423800 3.8376E+00 -1.1392E+01 -9.7307E+00 H2 4410 1.008000 0.423800 5.3382E+00 -1.0758E+01 -9.6186E+00 O6 4411 15.999400 -0.847600 -5.3760E+00 -1.6238E+01 -1.1114E+01 H1 4412 1.008000 0.423800 -5.8247E+00 -1.5465E+01 -1.1563E+01 H2 4413 1.008000 0.423800 -4.4696E+00 -1.6375E+01 -1.1514E+01 O6 4414 15.999400 -0.847600 -4.4216E+00 -3.3399E+00 -1.3598E+01 H1 4415 1.008000 0.423800 -4.3220E+00 -3.8704E+00 -1.4439E+01 H2 4416 1.008000 0.423800 -5.1145E+00 -2.6312E+00 -1.3730E+01 O6 4417 15.999400 -0.847600 1.8591E+01 -7.6366E+00 1.1996E+01 H1 4418 1.008000 0.423800 1.8013E+01 -8.4152E+00 1.1754E+01 H2 4419 1.008000 0.423800 1.9462E+01 -7.9688E+00 1.2358E+01 O6 4420 15.999400 -0.847600 -1.0381E+01 -1.2842E+01 -1.3135E+01 H1 4421 1.008000 0.423800 -1.0177E+01 -1.1978E+01 -1.2675E+01 H2 4422 1.008000 0.423800 -1.1356E+01 -1.3043E+01 -1.3050E+01 O6 4423 15.999400 -0.847600 3.1750E+00 -1.0415E+01 2.5877E+00 H1 4424 1.008000 0.423800 4.1111E+00 -1.0651E+01 2.8496E+00 H2 4425 1.008000 0.423800 3.0217E+00 -9.4391E+00 2.7399E+00 O6 4426 15.999400 -0.847600 -3.1569E+00 -9.4635E+00 -1.0400E+00 H1 4427 1.008000 0.423800 -3.4476E+00 -1.0159E+01 -1.6975E+00 H2 4428 1.008000 0.423800 -2.6482E+00 -8.7464E+00 -1.5163E+00 O6 4429 15.999400 -0.847600 -7.6566E+00 -1.6220E+01 1.3735E+01 H1 4430 1.008000 0.423800 -7.2540E+00 -1.6168E+01 1.4649E+01 H2 4431 1.008000 0.423800 -6.9294E+00 -1.6315E+01 1.3055E+01 O6 4432 15.999400 -0.847600 -6.2542E+00 -1.1010E+01 1.7772E+01 H1 4433 1.008000 0.423800 -5.4573E+00 -1.1455E+01 1.8181E+01 H2 4434 1.008000 0.423800 -6.8392E+00 -1.1700E+01 1.7346E+01 O6 4435 15.999400 -0.847600 -6.1548E+00 7.6534E-01 1.5615E+01 H1 4436 1.008000 0.423800 -5.9193E+00 -1.7584E-01 1.5858E+01 H2 4437 1.008000 0.423800 -6.8087E+00 1.1270E+00 1.6280E+01 O6 4438 15.999400 -0.847600 -2.0548E+00 5.4523E+00 -8.5276E+00 H1 4439 1.008000 0.423800 -2.7374E+00 5.9470E+00 -9.0654E+00 H2 4440 1.008000 0.423800 -1.8022E+00 5.9968E+00 -7.7278E+00 O6 4441 15.999400 -0.847600 5.2870E+00 -1.2496E+01 1.6528E+01 H1 4442 1.008000 0.423800 6.2217E+00 -1.2188E+01 1.6706E+01 H2 4443 1.008000 0.423800 5.2834E+00 -1.3486E+01 1.6385E+01 O6 4444 15.999400 -0.847600 1.4728E+01 -1.6985E+01 1.2093E+01 H1 4445 1.008000 0.423800 1.3963E+01 -1.7372E+01 1.2609E+01 H2 4446 1.008000 0.423800 1.5443E+01 -1.7676E+01 1.1988E+01 O6 4447 15.999400 -0.847600 5.8787E+00 7.8143E+00 8.1509E+00 H1 4448 1.008000 0.423800 6.3310E+00 7.4436E+00 7.3397E+00 H2 4449 1.008000 0.423800 6.3277E+00 7.4632E+00 8.9725E+00 O6 4450 15.999400 -0.847600 1.5971E+00 1.8115E+01 3.7887E-01 H1 4451 1.008000 0.423800 1.4228E+00 1.7457E+01 -3.5332E-01 H2 4452 1.008000 0.423800 1.2391E+00 1.7757E+01 1.2412E+00 O6 4453 15.999400 -0.847600 -6.7968E+00 -6.8841E+00 -9.6260E+00 H1 4454 1.008000 0.423800 -7.1514E+00 -6.4812E+00 -8.7821E+00 H2 4455 1.008000 0.423800 -7.4849E+00 -6.8058E+00 -1.0347E+01 O6 4456 15.999400 -0.847600 7.8527E+00 -1.8013E+01 -1.1664E+01 H1 4457 1.008000 0.423800 6.9693E+00 -1.8255E+01 -1.2066E+01 H2 4458 1.008000 0.423800 7.7170E+00 -1.7329E+01 -1.0947E+01 O6 4459 15.999400 -0.847600 -1.3215E+01 -1.5382E+01 1.3913E+01 H1 4460 1.008000 0.423800 -1.2692E+01 -1.5023E+01 1.3140E+01 H2 4461 1.008000 0.423800 -1.4186E+01 -1.5405E+01 1.3677E+01 O6 4462 15.999400 -0.847600 -1.8514E+01 1.9029E+01 -6.5792E+00 H1 4463 1.008000 0.423800 -1.7683E+01 1.9168E+01 -6.0397E+00 H2 4464 1.008000 0.423800 -1.9019E+01 -1.9208E+01 -6.6404E+00 O6 4465 15.999400 -0.847600 1.4131E+00 -1.5526E+01 4.8711E+00 H1 4466 1.008000 0.423800 2.0354E+00 -1.4903E+01 4.3969E+00 H2 4467 1.008000 0.423800 6.6299E-01 -1.5777E+01 4.2594E+00 O6 4468 15.999400 -0.847600 -6.1972E+00 6.6820E+00 7.6670E+00 H1 4469 1.008000 0.423800 -5.3114E+00 6.4092E+00 7.2918E+00 H2 4470 1.008000 0.423800 -6.8266E+00 5.9056E+00 7.6339E+00 O6 4471 15.999400 -0.847600 5.1307E+00 7.8605E+00 -8.7965E+00 H1 4472 1.008000 0.423800 5.6931E+00 7.7408E+00 -7.9783E+00 H2 4473 1.008000 0.423800 4.8753E+00 8.8231E+00 -8.8874E+00 O6 4474 15.999400 -0.847600 -1.6131E+01 -1.5554E+00 -4.6277E+00 H1 4475 1.008000 0.423800 -1.6482E+01 -7.5961E-01 -5.1211E+00 H2 4476 1.008000 0.423800 -1.6885E+01 -2.1793E+00 -4.4220E+00 O6 4477 15.999400 -0.847600 -1.3478E+01 -1.8288E+01 -1.6048E+01 H1 4478 1.008000 0.423800 -1.2844E+01 -1.8892E+01 -1.6530E+01 H2 4479 1.008000 0.423800 -1.3065E+01 -1.7382E+01 -1.5948E+01 O6 4480 15.999400 -0.847600 -2.6476E+00 -3.8699E+00 5.4048E+00 H1 4481 1.008000 0.423800 -3.0006E+00 -4.3274E+00 6.2210E+00 H2 4482 1.008000 0.423800 -3.3442E+00 -3.2508E+00 5.0422E+00 O6 4483 15.999400 -0.847600 8.8777E+00 7.1908E+00 -1.2488E+01 H1 4484 1.008000 0.423800 9.3658E+00 6.6683E+00 -1.1789E+01 H2 4485 1.008000 0.423800 7.9356E+00 6.8617E+00 -1.2553E+01 O6 4486 15.999400 -0.847600 2.3060E+00 1.9240E+01 1.2910E+01 H1 4487 1.008000 0.423800 3.1180E+00 1.9367E+01 1.2341E+01 H2 4488 1.008000 0.423800 1.9161E+00 -1.8965E+01 1.3138E+01 O6 4489 15.999400 -0.847600 -8.2416E+00 -1.0215E+01 1.4370E+01 H1 4490 1.008000 0.423800 -8.6223E+00 -1.0677E+01 1.3569E+01 H2 4491 1.008000 0.423800 -7.7010E+00 -9.4273E+00 1.4075E+01 O6 4492 15.999400 -0.847600 -1.8559E+01 -1.4021E+01 1.9243E+01 H1 4493 1.008000 0.423800 -1.9032E+01 -1.4083E+01 -1.8976E+01 H2 4494 1.008000 0.423800 -1.7724E+01 -1.3481E+01 1.9351E+01 O6 4495 15.999400 -0.847600 -5.1465E+00 5.7226E+00 -4.7607E+00 H1 4496 1.008000 0.423800 -4.8801E+00 5.2766E+00 -5.6152E+00 H2 4497 1.008000 0.423800 -6.0178E+00 5.3461E+00 -4.4458E+00 O6 4498 15.999400 -0.847600 -2.2396E+00 1.4845E+01 7.6281E+00 H1 4499 1.008000 0.423800 -2.7580E+00 1.5411E+01 8.2697E+00 H2 4500 1.008000 0.423800 -1.2611E+00 1.4954E+01 7.8031E+00 O6 4501 15.999400 -0.847600 9.7679E+00 1.8189E+00 -1.1016E+01 H1 4502 1.008000 0.423800 1.0306E+01 1.6314E+00 -1.0194E+01 H2 4503 1.008000 0.423800 8.9537E+00 2.3439E+00 -1.0768E+01 O6 4504 15.999400 -0.847600 1.9200E+01 1.0275E+01 1.4843E+01 H1 4505 1.008000 0.423800 -1.9353E+01 9.7155E+00 1.4218E+01 H2 4506 1.008000 0.423800 1.8356E+01 1.0558E+01 1.4388E+01 O6 4507 15.999400 -0.847600 -1.0839E+01 -2.9891E+00 1.8446E+01 H1 4508 1.008000 0.423800 -1.1278E+01 -3.5581E+00 1.9142E+01 H2 4509 1.008000 0.423800 -1.1182E+01 -3.2446E+00 1.7542E+01 O6 4510 15.999400 -0.847600 1.9381E+01 -1.2403E+00 -3.8333E-01 H1 4511 1.008000 0.423800 1.9188E+01 -1.0201E+00 5.7279E-01 H2 4512 1.008000 0.423800 1.8592E+01 -1.7042E+00 -7.8477E-01 O6 4513 15.999400 -0.847600 1.3140E+01 -1.8284E+01 -1.3465E+01 H1 4514 1.008000 0.423800 1.3796E+01 -1.8873E+01 -1.2991E+01 H2 4515 1.008000 0.423800 1.2338E+01 -1.8145E+01 -1.2885E+01 O6 4516 15.999400 -0.847600 -1.9213E+01 -3.9015E+00 1.9048E+01 H1 4517 1.008000 0.423800 -1.8455E+01 -3.4360E+00 1.9505E+01 H2 4518 1.008000 0.423800 -1.9316E+01 -4.8212E+00 1.9427E+01 O6 4519 15.999400 -0.847600 7.4759E-01 1.4066E+01 -1.0426E+01 H1 4520 1.008000 0.423800 3.2248E-03 1.3619E+01 -1.0922E+01 H2 4521 1.008000 0.423800 5.7700E-01 1.4004E+01 -9.4422E+00 O6 4522 15.999400 -0.847600 -1.6483E+01 -1.7984E+01 -1.2623E+01 H1 4523 1.008000 0.423800 -1.6913E+01 -1.7528E+01 -1.3402E+01 H2 4524 1.008000 0.423800 -1.5585E+01 -1.8330E+01 -1.2893E+01 O6 4525 15.999400 -0.847600 8.8797E+00 4.2502E+00 -2.4606E+00 H1 4526 1.008000 0.423800 7.9572E+00 3.8700E+00 -2.3946E+00 H2 4527 1.008000 0.423800 8.8499E+00 5.2319E+00 -2.2728E+00 O6 4528 15.999400 -0.847600 -1.8016E+01 5.4279E+00 5.5984E+00 H1 4529 1.008000 0.423800 -1.7878E+01 5.0381E+00 6.5089E+00 H2 4530 1.008000 0.423800 -1.8477E+01 4.7585E+00 5.0156E+00 O6 4531 15.999400 -0.847600 -1.2956E+01 -7.4894E+00 8.5076E+00 H1 4532 1.008000 0.423800 -1.3242E+01 -8.4159E+00 8.7523E+00 H2 4533 1.008000 0.423800 -1.2192E+01 -7.5356E+00 7.8646E+00 O6 4534 15.999400 -0.847600 -9.8647E+00 -9.5390E+00 -1.8548E+01 H1 4535 1.008000 0.423800 -1.0668E+01 -8.9690E+00 -1.8376E+01 H2 4536 1.008000 0.423800 -9.5990E+00 -9.4594E+00 -1.9509E+01 O6 4537 15.999400 -0.847600 1.4730E+01 2.9280E+00 -1.3846E+01 H1 4538 1.008000 0.423800 1.5483E+01 3.2238E+00 -1.4435E+01 H2 4539 1.008000 0.423800 1.4782E+01 1.9386E+00 -1.3711E+01 O6 4540 15.999400 -0.847600 7.4886E+00 -6.3420E+00 -1.6561E+01 H1 4541 1.008000 0.423800 8.3791E+00 -5.8997E+00 -1.6669E+01 H2 4542 1.008000 0.423800 6.8064E+00 -5.8545E+00 -1.7106E+01 O6 4543 15.999400 -0.847600 -1.3260E+01 1.5438E+01 -1.3800E+01 H1 4544 1.008000 0.423800 -1.3571E+01 1.5641E+01 -1.2871E+01 H2 4545 1.008000 0.423800 -1.3890E+01 1.5848E+01 -1.4459E+01 O6 4546 15.999400 -0.847600 -1.4712E+01 -7.4298E+00 -6.2351E+00 H1 4547 1.008000 0.423800 -1.5023E+01 -8.3468E+00 -5.9861E+00 H2 4548 1.008000 0.423800 -1.4764E+01 -6.8315E+00 -5.4356E+00 O6 4549 15.999400 -0.847600 3.0125E+00 -1.1701E+01 -1.1517E+01 H1 4550 1.008000 0.423800 3.3710E+00 -1.0768E+01 -1.1528E+01 H2 4551 1.008000 0.423800 2.1628E+00 -1.1738E+01 -1.2043E+01 O6 4552 15.999400 -0.847600 -1.7900E+00 -4.6153E+00 -1.1049E+00 H1 4553 1.008000 0.423800 -1.2846E+00 -5.3284E+00 -6.1908E-01 H2 4554 1.008000 0.423800 -1.1765E+00 -4.1455E+00 -1.7396E+00 O6 4555 15.999400 -0.847600 1.9114E+00 9.8378E+00 -1.7995E+01 H1 4556 1.008000 0.423800 1.9429E+00 9.9420E+00 -1.8989E+01 H2 4557 1.008000 0.423800 1.1181E+00 1.0328E+01 -1.7633E+01 O6 4558 15.999400 -0.847600 -9.8314E+00 1.8191E+01 6.5130E+00 H1 4559 1.008000 0.423800 -9.9334E+00 1.8451E+01 7.4732E+00 H2 4560 1.008000 0.423800 -9.8874E+00 1.7196E+01 6.4297E+00 O6 4561 15.999400 -0.847600 -4.1690E+00 7.3060E-02 1.3129E+01 H1 4562 1.008000 0.423800 -4.1519E+00 3.1216E-01 1.2158E+01 H2 4563 1.008000 0.423800 -5.0938E+00 -2.0622E-01 1.3387E+01 O6 4564 15.999400 -0.847600 1.4315E+01 1.3654E+00 -2.3977E+00 H1 4565 1.008000 0.423800 1.3566E+01 1.9736E+00 -2.6605E+00 H2 4566 1.008000 0.423800 1.4890E+01 1.8197E+00 -1.7172E+00 O6 4567 15.999400 -0.847600 1.8037E-01 -1.3457E+01 -6.5639E+00 H1 4568 1.008000 0.423800 3.9557E-01 -1.4232E+01 -7.1584E+00 H2 4569 1.008000 0.423800 -3.5194E-01 -1.2782E+01 -7.0753E+00 O6 4570 15.999400 -0.847600 -6.4799E+00 1.5066E+01 1.8015E+01 H1 4571 1.008000 0.423800 -6.8676E+00 1.5278E+01 1.8912E+01 H2 4572 1.008000 0.423800 -7.0060E+00 1.5535E+01 1.7305E+01 O6 4573 15.999400 -0.847600 1.6527E+01 6.4349E+00 -7.4669E+00 H1 4574 1.008000 0.423800 1.7497E+01 6.3770E+00 -7.2315E+00 H2 4575 1.008000 0.423800 1.6375E+01 6.0164E+00 -8.3624E+00 O6 4576 15.999400 -0.847600 -1.8679E+01 3.5874E+00 1.9468E+01 H1 4577 1.008000 0.423800 -1.7835E+01 4.1025E+00 -1.9475E+01 H2 4578 1.008000 0.423800 -1.8981E+01 3.7193E+00 1.8524E+01 O6 4579 15.999400 -0.847600 -1.5072E+01 -1.3029E+01 -2.5702E+00 H1 4580 1.008000 0.423800 -1.5208E+01 -1.3392E+01 -1.6485E+00 H2 4581 1.008000 0.423800 -1.4191E+01 -1.3341E+01 -2.9249E+00 O6 4582 15.999400 -0.847600 -8.9664E+00 -6.9280E+00 1.2292E+01 H1 4583 1.008000 0.423800 -9.7016E+00 -7.6033E+00 1.2233E+01 H2 4584 1.008000 0.423800 -8.7761E+00 -6.5626E+00 1.1381E+01 O6 4585 15.999400 -0.847600 9.8752E+00 9.5643E+00 -1.1364E+01 H1 4586 1.008000 0.423800 9.3636E+00 8.9549E+00 -1.1970E+01 H2 4587 1.008000 0.423800 1.0648E+01 9.0685E+00 -1.0968E+01 O6 4588 15.999400 -0.847600 -1.4183E+00 -1.6457E+01 9.8338E+00 H1 4589 1.008000 0.423800 -1.4108E+00 -1.5672E+01 1.0454E+01 H2 4590 1.008000 0.423800 -2.0204E+00 -1.6264E+01 9.0591E+00 O6 4591 15.999400 -0.847600 -1.7641E+01 -4.3982E+00 -6.8594E+00 H1 4592 1.008000 0.423800 -1.7789E+01 -3.4251E+00 -7.0362E+00 H2 4593 1.008000 0.423800 -1.7077E+01 -4.7871E+00 -7.5876E+00 O6 4594 15.999400 -0.847600 3.4823E+00 -1.2960E+01 -1.3548E+00 H1 4595 1.008000 0.423800 2.5477E+00 -1.2845E+01 -1.0181E+00 H2 4596 1.008000 0.423800 3.6022E+00 -1.3893E+01 -1.6929E+00 O6 4597 15.999400 -0.847600 1.0261E+01 1.8655E+01 1.6081E+01 H1 4598 1.008000 0.423800 1.0514E+01 1.8303E+01 1.6982E+01 H2 4599 1.008000 0.423800 9.4581E+00 1.9245E+01 1.6166E+01 O6 4600 15.999400 -0.847600 -5.6282E+00 -2.3948E+00 -9.1837E+00 H1 4601 1.008000 0.423800 -5.7218E+00 -1.4092E+00 -9.0424E+00 H2 4602 1.008000 0.423800 -6.3799E+00 -2.7223E+00 -9.7560E+00 O6 4603 15.999400 -0.847600 9.5054E+00 -1.6096E+00 4.8393E+00 H1 4604 1.008000 0.423800 1.0240E+01 -1.3436E+00 4.2152E+00 H2 4605 1.008000 0.423800 9.7477E+00 -2.4671E+00 5.2931E+00 O6 4606 15.999400 -0.847600 -1.1801E+01 -1.6064E+01 -1.5657E+01 H1 4607 1.008000 0.423800 -1.1985E+01 -1.5261E+01 -1.6224E+01 H2 4608 1.008000 0.423800 -1.2152E+01 -1.5908E+01 -1.4734E+01 O6 4609 15.999400 -0.847600 1.0654E+01 -1.0318E+01 -1.5089E+01 H1 4610 1.008000 0.423800 1.1243E+01 -1.0451E+01 -1.4292E+01 H2 4611 1.008000 0.423800 1.0118E+01 -9.4821E+00 -1.4971E+01 O6 4612 15.999400 -0.847600 2.8084E+00 -1.4463E+00 -1.0379E+01 H1 4613 1.008000 0.423800 1.9571E+00 -1.7203E+00 -9.9320E+00 H2 4614 1.008000 0.423800 2.7311E+00 -1.5985E+00 -1.1365E+01 O6 4615 15.999400 -0.847600 -1.2900E+01 5.6977E+00 6.6541E+00 H1 4616 1.008000 0.423800 -1.2697E+01 5.2865E+00 5.7653E+00 H2 4617 1.008000 0.423800 -1.2053E+01 6.0349E+00 7.0660E+00 O6 4618 15.999400 -0.847600 -7.8599E+00 2.9915E+00 -1.8854E+01 H1 4619 1.008000 0.423800 -8.6804E+00 2.7151E+00 -1.8353E+01 H2 4620 1.008000 0.423800 -7.4447E+00 3.7815E+00 -1.8403E+01 O6 4621 15.999400 -0.847600 4.2243E+00 -8.0785E-01 -1.5098E+01 H1 4622 1.008000 0.423800 3.4850E+00 -7.5435E-01 -1.4427E+01 H2 4623 1.008000 0.423800 4.5679E+00 -1.7460E+00 -1.5141E+01 O6 4624 15.999400 -0.847600 -7.9419E+00 -2.7117E+00 1.5307E+01 H1 4625 1.008000 0.423800 -8.3531E+00 -3.3109E+00 1.5994E+01 H2 4626 1.008000 0.423800 -8.3145E+00 -1.7888E+00 1.5404E+01 O6 4627 15.999400 -0.847600 1.5697E+01 -1.7388E+00 1.6665E+01 H1 4628 1.008000 0.423800 1.6211E+01 -2.2998E+00 1.7315E+01 H2 4629 1.008000 0.423800 1.6294E+01 -1.4746E+00 1.5908E+01 O6 4630 15.999400 -0.847600 1.5037E+01 -1.3725E+01 -6.1602E+00 H1 4631 1.008000 0.423800 1.5110E+01 -1.2767E+01 -6.4395E+00 H2 4632 1.008000 0.423800 1.5172E+01 -1.3794E+01 -5.1717E+00 O6 4633 15.999400 -0.847600 1.1296E+01 1.7320E+01 -4.9745E-01 H1 4634 1.008000 0.423800 1.1984E+01 1.6604E+01 -6.1227E-01 H2 4635 1.008000 0.423800 1.0390E+01 1.6946E+01 -6.9308E-01 O6 4636 15.999400 -0.847600 1.4591E+01 -1.8329E+01 1.9396E+00 H1 4637 1.008000 0.423800 1.3610E+01 -1.8301E+01 2.1316E+00 H2 4638 1.008000 0.423800 1.4921E+01 -1.9269E+01 2.0276E+00 O6 4639 15.999400 -0.847600 1.3518E+01 4.9153E+00 1.0500E+01 H1 4640 1.008000 0.423800 1.3187E+01 3.9720E+00 1.0522E+01 H2 4641 1.008000 0.423800 1.2763E+01 5.5278E+00 1.0265E+01 O6 4642 15.999400 -0.847600 5.7714E+00 -1.8431E+01 -5.3356E+00 H1 4643 1.008000 0.423800 6.2684E+00 -1.9254E+01 -5.0578E+00 H2 4644 1.008000 0.423800 5.0793E+00 -1.8674E+01 -6.0153E+00 O6 4645 15.999400 -0.847600 8.5129E+00 -1.3137E+01 -1.1797E+01 H1 4646 1.008000 0.423800 9.4892E+00 -1.3225E+01 -1.1599E+01 H2 4647 1.008000 0.423800 8.3904E+00 -1.2637E+01 -1.2654E+01 O6 4648 15.999400 -0.847600 -1.0577E+01 -1.7934E+01 7.3076E+00 H1 4649 1.008000 0.423800 -1.1001E+01 -1.7052E+01 7.5094E+00 H2 4650 1.008000 0.423800 -1.1027E+01 -1.8347E+01 6.5159E+00 O6 4651 15.999400 -0.847600 -1.1691E+01 -1.1855E+01 5.1331E+00 H1 4652 1.008000 0.423800 -1.2478E+01 -1.2107E+01 4.5699E+00 H2 4653 1.008000 0.423800 -1.1751E+01 -1.0886E+01 5.3752E+00 O6 4654 15.999400 -0.847600 -1.0123E+01 4.3301E+00 9.5930E+00 H1 4655 1.008000 0.423800 -1.0395E+01 3.6116E+00 8.9527E+00 H2 4656 1.008000 0.423800 -1.0584E+01 4.1871E+00 1.0469E+01 O6 4657 15.999400 -0.847600 1.1903E+01 -1.4929E+01 3.1785E-01 H1 4658 1.008000 0.423800 1.2470E+01 -1.5365E+01 1.0169E+00 H2 4659 1.008000 0.423800 1.1433E+01 -1.4141E+01 7.1392E-01 O6 4660 15.999400 -0.847600 1.7046E+00 1.3010E+01 5.6855E+00 H1 4661 1.008000 0.423800 1.6336E+00 1.2554E+01 4.7981E+00 H2 4662 1.008000 0.423800 1.7465E+00 1.2322E+01 6.4105E+00 O6 4663 15.999400 -0.847600 1.6562E+01 -1.2844E+01 8.5671E+00 H1 4664 1.008000 0.423800 1.6039E+01 -1.2699E+01 9.4069E+00 H2 4665 1.008000 0.423800 1.6115E+01 -1.3546E+01 8.0127E+00 O6 4666 15.999400 -0.847600 -8.9616E+00 -1.3474E+01 -7.5544E+00 H1 4667 1.008000 0.423800 -8.0691E+00 -1.3822E+01 -7.8418E+00 H2 4668 1.008000 0.423800 -9.4911E+00 -1.4216E+01 -7.1426E+00 O6 4669 15.999400 -0.847600 -1.7749E+01 1.8978E+01 5.6173E+00 H1 4670 1.008000 0.423800 -1.6824E+01 1.8796E+01 5.9522E+00 H2 4671 1.008000 0.423800 -1.7890E+01 1.8499E+01 4.7507E+00 O6 4672 15.999400 -0.847600 -1.9012E+00 6.5179E-01 5.2455E+00 H1 4673 1.008000 0.423800 -9.8968E-01 3.4177E-01 5.5159E+00 H2 4674 1.008000 0.423800 -2.5664E+00 3.7595E-01 5.9392E+00 O6 4675 15.999400 -0.847600 -1.1910E+01 -1.4217E+01 1.1802E+01 H1 4676 1.008000 0.423800 -1.1993E+01 -1.3376E+01 1.1267E+01 H2 4677 1.008000 0.423800 -1.0968E+01 -1.4317E+01 1.2121E+01 O6 4678 15.999400 -0.847600 -6.3258E+00 -9.6466E+00 -1.7917E+01 H1 4679 1.008000 0.423800 -6.9124E+00 -8.8814E+00 -1.7651E+01 H2 4680 1.008000 0.423800 -6.2679E+00 -1.0300E+01 -1.7161E+01 O6 4681 15.999400 -0.847600 1.4034E+01 8.5455E+00 -1.0179E+01 H1 4682 1.008000 0.423800 1.3799E+01 9.3840E+00 -9.6872E+00 H2 4683 1.008000 0.423800 1.5019E+01 8.5244E+00 -1.0351E+01 O6 4684 15.999400 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1.8967E+01 -1.3045E+01 H2 4701 1.008000 0.423800 -3.3576E+00 1.8208E+01 -1.4435E+01 O6 4702 15.999400 -0.847600 1.6723E+01 9.4500E+00 -1.0534E+01 H1 4703 1.008000 0.423800 1.7425E+01 8.7806E+00 -1.0777E+01 H2 4704 1.008000 0.423800 1.6549E+01 1.0050E+01 -1.1315E+01 O6 4705 15.999400 -0.847600 1.5647E+01 -1.2080E+01 1.6089E+01 H1 4706 1.008000 0.423800 1.6468E+01 -1.1801E+01 1.5590E+01 H2 4707 1.008000 0.423800 1.5767E+01 -1.1886E+01 1.7062E+01 O6 4708 15.999400 -0.847600 1.9472E+01 1.4667E+01 -2.1404E+00 H1 4709 1.008000 0.423800 1.8990E+01 1.4568E+01 -3.0114E+00 H2 4710 1.008000 0.423800 1.9124E+01 1.3992E+01 -1.4891E+00 O6 4711 15.999400 -0.847600 7.4277E+00 -1.7800E+01 9.1130E+00 H1 4712 1.008000 0.423800 7.0665E+00 -1.8682E+01 9.4138E+00 H2 4713 1.008000 0.423800 8.4237E+00 -1.7799E+01 9.2029E+00 O6 4714 15.999400 -0.847600 8.2740E-01 2.9091E+00 1.8824E+01 H1 4715 1.008000 0.423800 1.8226E+00 3.0040E+00 1.8799E+01 H2 4716 1.008000 0.423800 5.8829E-01 1.9628E+00 1.9042E+01 O6 4717 15.999400 -0.847600 1.0385E+01 -1.6863E+01 1.4585E+01 H1 4718 1.008000 0.423800 1.0074E+01 -1.7182E+01 1.5480E+01 H2 4719 1.008000 0.423800 9.7893E+00 -1.6126E+01 1.4268E+01 O6 4720 15.999400 -0.847600 -1.0475E+01 5.3824E+00 -1.1094E+01 H1 4721 1.008000 0.423800 -1.1410E+01 5.6381E+00 -1.0849E+01 H2 4722 1.008000 0.423800 -1.0153E+01 5.9697E+00 -1.1837E+01 O6 4723 15.999400 -0.847600 -1.4009E+01 1.6150E+01 7.7769E-02 H1 4724 1.008000 0.423800 -1.3097E+01 1.5845E+01 3.5296E-01 H2 4725 1.008000 0.423800 -1.4341E+01 1.5576E+01 -6.7025E-01 O6 4726 15.999400 -0.847600 1.6477E+01 -1.1618E+01 1.8728E+01 H1 4727 1.008000 0.423800 1.5988E+01 -1.2270E+01 1.9308E+01 H2 4728 1.008000 0.423800 1.6267E+01 -1.0686E+01 1.9024E+01 O6 4729 15.999400 -0.847600 -1.8834E+01 -4.0484E+00 1.4503E+01 H1 4730 1.008000 0.423800 -1.8046E+01 -3.5354E+00 1.4845E+01 H2 4731 1.008000 0.423800 -1.9166E+01 -3.6261E+00 1.3660E+01 O6 4732 15.999400 -0.847600 -1.4487E+01 7.7919E+00 -1.1710E+01 H1 4733 1.008000 0.423800 -1.3895E+01 7.3857E+00 -1.1014E+01 H2 4734 1.008000 0.423800 -1.5145E+01 8.4044E+00 -1.1272E+01 O6 4735 15.999400 -0.847600 -1.8384E+01 -5.0172E-01 6.6352E+00 H1 4736 1.008000 0.423800 -1.7541E+01 -4.9803E-01 6.0985E+00 H2 4737 1.008000 0.423800 -1.8350E+01 -1.2429E+00 7.3057E+00 O6 4738 15.999400 -0.847600 8.7100E-02 -1.6348E+01 1.5213E+01 H1 4739 1.008000 0.423800 -2.8284E-01 -1.6892E+01 1.5966E+01 H2 4740 1.008000 0.423800 -6.5580E-01 -1.6078E+01 1.4600E+01 O6 4741 15.999400 -0.847600 1.0227E+01 1.3910E+01 -1.1907E+01 H1 4742 1.008000 0.423800 9.4431E+00 1.4516E+01 -1.1773E+01 H2 4743 1.008000 0.423800 1.0897E+01 1.4064E+01 -1.1180E+01 O6 4744 15.999400 -0.847600 1.3243E+01 -8.1835E+00 -2.9274E+00 H1 4745 1.008000 0.423800 1.3967E+01 -7.8730E+00 -3.5426E+00 H2 4746 1.008000 0.423800 1.3584E+01 -8.1918E+00 -1.9876E+00 O6 4747 15.999400 -0.847600 -1.9184E+01 -1.8060E+01 1.6642E+01 H1 4748 1.008000 0.423800 -1.8686E+01 -1.8841E+01 1.7021E+01 H2 4749 1.008000 0.423800 1.8946E+01 -1.8295E+01 1.6548E+01 O6 4750 15.999400 -0.847600 7.3474E+00 -1.6909E+01 -1.9832E+00 H1 4751 1.008000 0.423800 7.8075E+00 -1.7747E+01 -1.6892E+00 H2 4752 1.008000 0.423800 6.4613E+00 -1.7139E+01 -2.3856E+00 O6 4753 15.999400 -0.847600 -1.4459E+01 -1.8469E+01 2.6996E+00 H1 4754 1.008000 0.423800 -1.4501E+01 -1.9392E+01 3.0818E+00 H2 4755 1.008000 0.423800 -1.5339E+01 -1.8013E+01 2.8332E+00 O6 4756 15.999400 -0.847600 -7.3539E+00 1.0995E+01 6.6785E-01 H1 4757 1.008000 0.423800 -7.2948E+00 1.1737E+01 3.7751E-04 H2 4758 1.008000 0.423800 -8.3116E+00 1.0737E+01 7.9567E-01 O6 4759 15.999400 -0.847600 -5.3538E+00 1.0526E+01 3.3394E+00 H1 4760 1.008000 0.423800 -5.5793E+00 1.1375E+01 2.8607E+00 H2 4761 1.008000 0.423800 -4.4187E+00 1.0254E+01 3.1125E+00 O6 4762 15.999400 -0.847600 5.9801E+00 -1.3028E+01 -1.8761E+01 H1 4763 1.008000 0.423800 5.4001E+00 -1.3830E+01 -1.8616E+01 H2 4764 1.008000 0.423800 6.7913E+00 -1.3094E+01 -1.8180E+01 O6 4765 15.999400 -0.847600 -2.1799E+00 -2.1823E+00 -4.1637E+00 H1 4766 1.008000 0.423800 -1.4204E+00 -2.8315E+00 -4.1236E+00 H2 4767 1.008000 0.423800 -3.0362E+00 -2.6794E+00 -4.3040E+00 O6 4768 15.999400 -0.847600 -1.3973E+01 -3.2106E+00 -4.9516E+00 H1 4769 1.008000 0.423800 -1.4699E+01 -2.5338E+00 -4.8319E+00 H2 4770 1.008000 0.423800 -1.3793E+01 -3.3375E+00 -5.9270E+00 O6 4771 15.999400 -0.847600 -1.7228E+01 -1.6802E+01 1.2310E+01 H1 4772 1.008000 0.423800 -1.8151E+01 -1.6760E+01 1.1928E+01 H2 4773 1.008000 0.423800 -1.7220E+01 -1.7424E+01 1.3094E+01 O6 4774 15.999400 -0.847600 -9.3321E+00 7.7440E+00 -2.1793E+00 H1 4775 1.008000 0.423800 -8.3833E+00 8.0166E+00 -2.0195E+00 H2 4776 1.008000 0.423800 -9.9456E+00 8.4526E+00 -1.8307E+00 O6 4777 15.999400 -0.847600 6.0107E+00 -3.8401E+00 6.6330E+00 H1 4778 1.008000 0.423800 6.3519E+00 -3.8069E+00 7.5724E+00 H2 4779 1.008000 0.423800 5.1775E+00 -4.3921E+00 6.6004E+00 O6 4780 15.999400 -0.847600 -1.6374E+01 -1.6950E+01 -2.0954E+00 H1 4781 1.008000 0.423800 -1.7180E+01 -1.7148E+01 -2.6522E+00 H2 4782 1.008000 0.423800 -1.5885E+01 -1.7801E+01 -1.9020E+00 O6 4783 15.999400 -0.847600 4.6193E+00 -8.1295E+00 1.4274E+01 H1 4784 1.008000 0.423800 5.3742E+00 -7.5199E+00 1.4516E+01 H2 4785 1.008000 0.423800 4.0009E+00 -8.2202E+00 1.5054E+01 O6 4786 15.999400 -0.847600 -3.2556E+00 -1.6964E+01 4.7036E-01 H1 4787 1.008000 0.423800 -3.2497E+00 -1.7257E+01 -4.8585E-01 H2 4788 1.008000 0.423800 -2.7408E+00 -1.7620E+01 1.0227E+00 O6 4789 15.999400 -0.847600 9.3931E+00 1.1107E+01 6.9044E-01 H1 4790 1.008000 0.423800 9.4854E+00 1.2090E+01 5.2980E-01 H2 4791 1.008000 0.423800 9.8551E+00 1.0605E+01 -4.0605E-02 O6 4792 15.999400 -0.847600 4.6868E+00 -5.4218E+00 9.3021E+00 H1 4793 1.008000 0.423800 4.4462E+00 -4.4558E+00 9.3977E+00 H2 4794 1.008000 0.423800 4.6200E+00 -5.6882E+00 8.3406E+00 O6 4795 15.999400 -0.847600 -4.1170E+00 1.8819E+01 -1.5950E+01 H1 4796 1.008000 0.423800 -4.9845E+00 1.8388E+01 -1.6198E+01 H2 4797 1.008000 0.423800 -4.2025E+00 -1.9286E+01 -1.6032E+01 O6 4798 15.999400 -0.847600 1.5871E+01 -7.6167E+00 1.6824E+01 H1 4799 1.008000 0.423800 1.5164E+01 -7.0666E+00 1.6380E+01 H2 4800 1.008000 0.423800 1.6603E+01 -7.8087E+00 1.6170E+01 O6 4801 15.999400 -0.847600 6.0920E+00 1.6208E+01 1.9069E+01 H1 4802 1.008000 0.423800 6.4293E+00 1.6910E+01 1.8443E+01 H2 4803 1.008000 0.423800 6.0174E+00 1.5337E+01 1.8584E+01 O6 4804 15.999400 -0.847600 1.4672E+00 -1.8239E+01 6.6767E+00 H1 4805 1.008000 0.423800 2.0458E+00 -1.7451E+01 6.8869E+00 H2 4806 1.008000 0.423800 1.8765E+00 -1.9066E+01 7.0633E+00 O6 4807 15.999400 -0.847600 2.9348E+00 2.6413E-01 -1.7562E+01 H1 4808 1.008000 0.423800 1.9582E+00 3.7095E-01 -1.7375E+01 H2 4809 1.008000 0.423800 3.3781E+00 -1.7337E-01 -1.6780E+01 O6 4810 15.999400 -0.847600 -8.0384E+00 6.8389E+00 1.0496E+01 H1 4811 1.008000 0.423800 -8.1404E+00 6.2329E+00 9.7067E+00 H2 4812 1.008000 0.423800 -8.7598E+00 7.5312E+00 1.0480E+01 O6 4813 15.999400 -0.847600 -1.2191E+01 6.0114E+00 9.6716E+00 H1 4814 1.008000 0.423800 -1.1506E+01 5.3714E+00 1.0021E+01 H2 4815 1.008000 0.423800 -1.2010E+01 6.1990E+00 8.7061E+00 O6 4816 15.999400 -0.847600 1.4188E+01 -1.7539E+01 -1.6423E+01 H1 4817 1.008000 0.423800 1.5021E+01 -1.8041E+01 -1.6657E+01 H2 4818 1.008000 0.423800 1.3577E+01 -1.8133E+01 -1.5900E+01 O6 4819 15.999400 -0.847600 1.9530E+01 -1.5190E+00 1.7239E+01 H1 4820 1.008000 0.423800 -1.8717E+01 -9.9194E-01 1.7240E+01 H2 4821 1.008000 0.423800 -1.9374E+01 -2.4623E+00 1.7509E+01 O6 4822 15.999400 -0.847600 -1.1781E+00 -1.8573E+01 6.6858E+00 H1 4823 1.008000 0.423800 -1.4767E+00 -1.8700E+01 7.6318E+00 H2 4824 1.008000 0.423800 -1.8292E-01 -1.8479E+01 6.6603E+00 O6 4825 15.999400 -0.847600 1.9514E+01 -4.8651E+00 -2.0973E+00 H1 4826 1.008000 0.423800 1.8740E+01 -5.2784E+00 -1.6179E+00 H2 4827 1.008000 0.423800 -1.9012E+01 -5.5854E+00 -2.4901E+00 O6 4828 15.999400 -0.847600 2.6179E+00 7.8932E+00 -4.3568E+00 H1 4829 1.008000 0.423800 3.5294E+00 7.5194E+00 -4.1855E+00 H2 4830 1.008000 0.423800 1.9584E+00 7.4573E+00 -3.7443E+00 O6 4831 15.999400 -0.847600 1.1212E+01 -1.2679E+01 -1.1730E+01 H1 4832 1.008000 0.423800 1.1533E+01 -1.2643E+01 -1.0784E+01 H2 4833 1.008000 0.423800 1.1439E+01 -1.1822E+01 -1.2193E+01 O6 4834 15.999400 -0.847600 -1.5176E+01 -1.9518E+00 9.3793E-01 H1 4835 1.008000 0.423800 -1.5702E+01 -2.2642E+00 1.4698E-01 H2 4836 1.008000 0.423800 -1.4219E+01 -2.2221E+00 8.2957E-01 O6 4837 15.999400 -0.847600 -1.8751E+01 7.9199E+00 5.3262E+00 H1 4838 1.008000 0.423800 -1.9034E+01 7.8428E+00 4.3703E+00 H2 4839 1.008000 0.423800 -1.8357E+01 7.0516E+00 5.6281E+00 O6 4840 15.999400 -0.847600 -1.8354E+01 -1.1249E+01 -6.3559E+00 H1 4841 1.008000 0.423800 -1.7582E+01 -1.1460E+01 -6.9553E+00 H2 4842 1.008000 0.423800 -1.8126E+01 -1.1505E+01 -5.4164E+00 O6 4843 15.999400 -0.847600 -2.0724E+00 1.1298E+01 -4.7202E+00 H1 4844 1.008000 0.423800 -1.7084E+00 1.1347E+01 -5.6503E+00 H2 4845 1.008000 0.423800 -1.9153E+00 1.2168E+01 -4.2538E+00 O6 4846 15.999400 -0.847600 2.7704E+00 1.4590E+01 -1.6164E+01 H1 4847 1.008000 0.423800 2.7354E+00 1.3613E+01 -1.5953E+01 H2 4848 1.008000 0.423800 3.7116E+00 1.4917E+01 -1.6077E+01 O6 4849 15.999400 -0.847600 1.3215E+01 -1.1673E+01 -4.2786E+00 H1 4850 1.008000 0.423800 1.3206E+01 -1.2662E+01 -4.1280E+00 H2 4851 1.008000 0.423800 1.4103E+01 -1.1303E+01 -4.0071E+00 O6 4852 15.999400 -0.847600 -3.7138E+00 -1.2783E+01 1.8302E+01 H1 4853 1.008000 0.423800 -4.2443E+00 -1.2925E+01 1.9138E+01 H2 4854 1.008000 0.423800 -3.5934E+00 -1.1803E+01 1.8146E+01 O6 4855 15.999400 -0.847600 -1.5956E+01 6.4796E+00 3.8223E+00 H1 4856 1.008000 0.423800 -1.5474E+01 5.7080E+00 3.4081E+00 H2 4857 1.008000 0.423800 -1.6530E+01 6.1500E+00 4.5718E+00 O6 4858 15.999400 -0.847600 1.0230E+01 1.4466E+01 8.4103E+00 H1 4859 1.008000 0.423800 1.0071E+01 1.3837E+01 9.1716E+00 H2 4860 1.008000 0.423800 9.3927E+00 1.4553E+01 7.8704E+00 O6 4861 15.999400 -0.847600 -1.4482E+01 -7.9333E+00 1.9305E+01 H1 4862 1.008000 0.423800 -1.4670E+01 -8.6199E+00 1.8602E+01 H2 4863 1.008000 0.423800 -1.5300E+01 -7.3783E+00 1.9455E+01 O6 4864 15.999400 -0.847600 1.5532E+01 8.8635E-01 4.7114E+00 H1 4865 1.008000 0.423800 1.6361E+01 1.0742E+00 4.1853E+00 H2 4866 1.008000 0.423800 1.4748E+01 1.3134E+00 4.2611E+00 O6 4867 15.999400 -0.847600 1.3667E+01 -5.1235E+00 1.4972E-01 H1 4868 1.008000 0.423800 1.4497E+01 -5.5777E+00 -1.7263E-01 H2 4869 1.008000 0.423800 1.3260E+01 -4.6008E+00 -5.9974E-01 O6 4870 15.999400 -0.847600 1.5247E+01 -5.9594E+00 1.8930E+01 H1 4871 1.008000 0.423800 1.5582E+01 -6.5020E+00 1.8159E+01 H2 4872 1.008000 0.423800 1.4289E+01 -6.1843E+00 1.9105E+01 O6 4873 15.999400 -0.847600 -1.3419E+01 1.3221E+01 3.2881E+00 H1 4874 1.008000 0.423800 -1.2893E+01 1.4046E+01 3.0819E+00 H2 4875 1.008000 0.423800 -1.3344E+01 1.3013E+01 4.2632E+00 O6 4876 15.999400 -0.847600 1.0154E+00 -1.1244E+01 1.9215E+01 H1 4877 1.008000 0.423800 3.6041E-01 -1.1518E+01 -1.9179E+01 H2 4878 1.008000 0.423800 1.9301E+00 -1.1557E+01 1.9471E+01 O6 4879 15.999400 -0.847600 -9.4535E+00 -1.4363E+01 1.3427E+01 H1 4880 1.008000 0.423800 -9.8541E+00 -1.4335E+01 1.4343E+01 H2 4881 1.008000 0.423800 -8.8373E+00 -1.5148E+01 1.3356E+01 O6 4882 15.999400 -0.847600 1.8020E+01 -6.6469E-01 1.9431E+01 H1 4883 1.008000 0.423800 1.8311E+01 -1.1252E+00 1.8592E+01 H2 4884 1.008000 0.423800 1.8745E+01 -5.0064E-02 -1.9356E+01 O6 4885 15.999400 -0.847600 -6.9482E+00 1.8391E+01 -1.8963E+01 H1 4886 1.008000 0.423800 -7.3390E+00 1.8887E+01 1.9358E+01 H2 4887 1.008000 0.423800 -7.2788E+00 1.7448E+01 -1.8970E+01 O6 4888 15.999400 -0.847600 1.8365E+01 -1.0074E+01 -1.3448E+00 H1 4889 1.008000 0.423800 1.7979E+01 -1.0836E+01 -1.8653E+00 H2 4890 1.008000 0.423800 1.9356E+01 -1.0187E+01 -1.2729E+00 O6 4891 15.999400 -0.847600 -1.1082E+01 -1.5120E+01 3.4194E+00 H1 4892 1.008000 0.423800 -1.1755E+01 -1.5834E+01 3.6157E+00 H2 4893 1.008000 0.423800 -1.0393E+01 -1.5476E+01 2.7887E+00 O6 4894 15.999400 -0.847600 6.3224E+00 -8.0273E+00 -1.4261E+01 H1 4895 1.008000 0.423800 6.9590E+00 -7.6493E+00 -1.4933E+01 H2 4896 1.008000 0.423800 6.5914E+00 -8.9641E+00 -1.4037E+01 O6 4897 15.999400 -0.847600 8.2005E+00 1.7097E+01 -2.4629E+00 H1 4898 1.008000 0.423800 7.4431E+00 1.6610E+01 -2.8978E+00 H2 4899 1.008000 0.423800 8.9183E+00 1.7268E+01 -3.1378E+00 O6 4900 15.999400 -0.847600 2.0315E+00 -1.7263E+01 1.3576E+01 H1 4901 1.008000 0.423800 1.3539E+00 -1.7041E+01 1.4277E+01 H2 4902 1.008000 0.423800 1.9824E+00 -1.6588E+01 1.2840E+01 O6 4903 15.999400 -0.847600 1.9296E+00 -1.8684E+01 -1.2819E+01 H1 4904 1.008000 0.423800 1.5093E+00 -1.8556E+01 -1.3717E+01 H2 4905 1.008000 0.423800 2.3667E+00 -1.7832E+01 -1.2531E+01 O6 4906 15.999400 -0.847600 -9.0842E+00 -1.5973E+01 1.7734E+00 H1 4907 1.008000 0.423800 -8.0976E+00 -1.5833E+01 1.8575E+00 H2 4908 1.008000 0.423800 -9.2729E+00 -1.6947E+01 1.6476E+00 O6 4909 15.999400 -0.847600 1.4412E+00 -6.4685E+00 -3.9619E+00 H1 4910 1.008000 0.423800 1.0197E+00 -7.2784E+00 -4.3699E+00 H2 4911 1.008000 0.423800 1.7680E+00 -6.6899E+00 -3.0431E+00 O6 4912 15.999400 -0.847600 -8.8002E-01 -1.3158E+01 8.1157E+00 H1 4913 1.008000 0.423800 -1.4896E+00 -1.2994E+01 8.8914E+00 H2 4914 1.008000 0.423800 -1.4243E+00 -1.3323E+01 7.2933E+00 O6 4915 15.999400 -0.847600 6.0944E+00 4.2764E+00 -1.4240E+01 H1 4916 1.008000 0.423800 6.7526E+00 4.1166E+00 -1.4975E+01 H2 4917 1.008000 0.423800 5.2248E+00 3.8396E+00 -1.4470E+01 O6 4918 15.999400 -0.847600 -6.4306E+00 -1.1048E+01 -5.6360E+00 H1 4919 1.008000 0.423800 -6.4320E+00 -1.1936E+01 -5.1766E+00 H2 4920 1.008000 0.423800 -7.3115E+00 -1.0905E+01 -6.0869E+00 O6 4921 15.999400 -0.847600 -1.5569E+01 -1.2859E+01 2.2148E+00 H1 4922 1.008000 0.423800 -1.6337E+01 -1.3022E+01 1.5944E+00 H2 4923 1.008000 0.423800 -1.5828E+01 -1.3129E+01 3.1424E+00 O6 4924 15.999400 -0.847600 1.5668E+01 -1.4631E+01 1.3154E+01 H1 4925 1.008000 0.423800 1.6067E+01 -1.4903E+01 1.4030E+01 H2 4926 1.008000 0.423800 1.5314E+01 -1.5439E+01 1.2684E+01 O6 4927 15.999400 -0.847600 -8.7667E+00 1.6688E+00 -1.6695E+00 H1 4928 1.008000 0.423800 -7.8706E+00 2.1025E+00 -1.7648E+00 H2 4929 1.008000 0.423800 -8.6865E+00 6.9155E-01 -1.8656E+00 O6 4930 15.999400 -0.847600 1.1209E+01 8.9332E+00 7.6795E+00 H1 4931 1.008000 0.423800 1.0672E+01 9.7522E+00 7.4778E+00 H2 4932 1.008000 0.423800 1.1649E+01 9.0349E+00 8.5714E+00 O6 4933 15.999400 -0.847600 -3.8726E+00 1.9020E+01 1.0516E+01 H1 4934 1.008000 0.423800 -4.6856E+00 1.9420E+01 1.0093E+01 H2 4935 1.008000 0.423800 -3.7928E+00 1.9345E+01 1.1459E+01 O6 4936 15.999400 -0.847600 -1.8302E+01 -1.5474E+01 1.6990E+01 H1 4937 1.008000 0.423800 -1.8307E+01 -1.5179E+01 1.7945E+01 H2 4938 1.008000 0.423800 -1.8685E+01 -1.6395E+01 1.6924E+01 O6 4939 15.999400 -0.847600 9.5958E+00 7.4308E+00 -1.5123E+01 H1 4940 1.008000 0.423800 9.4077E+00 7.1590E+00 -1.4179E+01 H2 4941 1.008000 0.423800 9.0262E+00 8.2168E+00 -1.5363E+01 O6 4942 15.999400 -0.847600 7.7289E+00 -1.1901E+01 1.7486E+01 H1 4943 1.008000 0.423800 7.4395E+00 -1.2313E+01 1.8350E+01 H2 4944 1.008000 0.423800 8.3562E+00 -1.1144E+01 1.7672E+01 O6 4945 15.999400 -0.847600 9.0404E+00 -1.8972E+01 2.2426E+00 H1 4946 1.008000 0.423800 8.7700E+00 -1.8042E+01 2.4930E+00 H2 4947 1.008000 0.423800 9.4337E+00 -1.8968E+01 1.3232E+00 O6 4948 15.999400 -0.847600 3.6317E+00 -2.2102E+00 4.7992E+00 H1 4949 1.008000 0.423800 2.9488E+00 -2.4977E+00 5.4709E+00 H2 4950 1.008000 0.423800 4.3736E+00 -1.7271E+00 5.2641E+00 O6 4951 15.999400 -0.847600 1.9255E+01 -1.3962E+01 -1.7281E+01 H1 4952 1.008000 0.423800 1.8270E+01 -1.4051E+01 -1.7135E+01 H2 4953 1.008000 0.423800 -1.9412E+01 -1.4862E+01 -1.7211E+01 O6 4954 15.999400 -0.847600 -1.1809E+01 -8.2485E+00 6.1984E+00 H1 4955 1.008000 0.423800 -1.2597E+01 -8.8557E+00 6.0978E+00 H2 4956 1.008000 0.423800 -1.0967E+01 -8.7882E+00 6.1751E+00 O6 4957 15.999400 -0.847600 -1.4478E+01 -1.5396E+01 1.7945E+01 H1 4958 1.008000 0.423800 -1.5009E+01 -1.5430E+01 1.7098E+01 H2 4959 1.008000 0.423800 -1.3923E+01 -1.4564E+01 1.7957E+01 O6 4960 15.999400 -0.847600 -3.9999E+00 5.6183E+00 1.3016E+01 H1 4961 1.008000 0.423800 -4.2989E+00 6.2908E+00 1.2339E+01 H2 4962 1.008000 0.423800 -4.3841E+00 5.8514E+00 1.3909E+01 O6 4963 15.999400 -0.847600 7.9231E+00 1.9315E+01 1.2702E+01 H1 4964 1.008000 0.423800 8.8615E+00 1.9097E+01 1.2970E+01 H2 4965 1.008000 0.423800 7.2853E+00 1.8878E+01 1.3337E+01 O6 4966 15.999400 -0.847600 1.8370E+00 1.5458E+01 -1.2371E+01 H1 4967 1.008000 0.423800 1.1455E+00 1.5970E+01 -1.2881E+01 H2 4968 1.008000 0.423800 1.3899E+00 1.4759E+01 -1.1812E+01 O6 4969 15.999400 -0.847600 9.0242E+00 1.4589E+01 -6.7494E+00 H1 4970 1.008000 0.423800 9.4880E+00 1.4726E+01 -7.6248E+00 H2 4971 1.008000 0.423800 9.6847E+00 1.4682E+01 -6.0043E+00 O6 4972 15.999400 -0.847600 1.1040E+01 1.7986E+01 -8.6956E+00 H1 4973 1.008000 0.423800 1.1718E+01 1.7419E+01 -8.2283E+00 H2 4974 1.008000 0.423800 1.0394E+01 1.7399E+01 -9.1834E+00 O6 4975 15.999400 -0.847600 -3.6536E+00 7.5958E+00 -1.9018E+01 H1 4976 1.008000 0.423800 -3.3851E+00 7.0389E+00 1.9294E+01 H2 4977 1.008000 0.423800 -3.8528E+00 7.0000E+00 -1.8240E+01 O6 4978 15.999400 -0.847600 -1.4947E+01 2.1776E+00 -1.2217E+01 H1 4979 1.008000 0.423800 -1.4419E+01 2.6564E+00 -1.2918E+01 H2 4980 1.008000 0.423800 -1.5535E+01 1.4947E+00 -1.2650E+01 O6 4981 15.999400 -0.847600 1.3270E+01 5.5274E+00 1.7282E+01 H1 4982 1.008000 0.423800 1.3824E+01 5.3631E+00 1.8098E+01 H2 4983 1.008000 0.423800 1.2995E+01 6.4883E+00 1.7254E+01 O6 4984 15.999400 -0.847600 6.6312E+00 -2.7280E+00 1.7323E+01 H1 4985 1.008000 0.423800 6.8486E+00 -3.5820E+00 1.7796E+01 H2 4986 1.008000 0.423800 7.4707E+00 -2.2041E+00 1.7179E+01 O6 4987 15.999400 -0.847600 -2.9611E+00 5.8318E-01 -1.2433E+01 H1 4988 1.008000 0.423800 -3.3403E+00 -3.1676E-01 -1.2218E+01 H2 4989 1.008000 0.423800 -3.2591E+00 1.2439E+00 -1.1745E+01 O6 4990 15.999400 -0.847600 -1.1790E+01 -1.8894E+01 -1.1858E+01 H1 4991 1.008000 0.423800 -1.1140E+01 -1.8412E+01 -1.2446E+01 H2 4992 1.008000 0.423800 -1.1585E+01 1.9225E+01 -1.1869E+01 O6 4993 15.999400 -0.847600 1.9287E+01 -3.0846E+00 1.2248E+01 H1 4994 1.008000 0.423800 -1.9226E+01 -2.4431E+00 1.1751E+01 H2 4995 1.008000 0.423800 1.8908E+01 -3.7534E+00 1.1608E+01 O6 4996 15.999400 -0.847600 -6.8973E+00 -1.3891E+01 3.3508E+00 H1 4997 1.008000 0.423800 -7.8614E+00 -1.3631E+01 3.3006E+00 H2 4998 1.008000 0.423800 -6.8059E+00 -1.4868E+01 3.1578E+00 O6 4999 15.999400 -0.847600 -1.6759E+00 1.6468E+01 1.3703E+01 H1 5000 1.008000 0.423800 -7.1959E-01 1.6719E+01 1.3554E+01 H2 5001 1.008000 0.423800 -2.1376E+00 1.6376E+01 1.2821E+01 O6 5002 15.999400 -0.847600 5.1112E+00 1.0637E+01 -1.7033E+01 H1 5003 1.008000 0.423800 4.4976E+00 1.1078E+01 -1.6377E+01 H2 5004 1.008000 0.423800 4.5999E+00 1.0396E+01 -1.7857E+01 O6 5005 15.999400 -0.847600 -9.2879E+00 -1.3270E+01 4.3483E+00 H1 5006 1.008000 0.423800 -1.0041E+01 -1.3779E+01 3.9314E+00 H2 5007 1.008000 0.423800 -9.5849E+00 -1.2334E+01 4.5411E+00 O6 5008 15.999400 -0.847600 6.9145E+00 1.9057E+01 1.0352E+01 H1 5009 1.008000 0.423800 7.5030E+00 1.8391E+01 9.8929E+00 H2 5010 1.008000 0.423800 7.3139E+00 1.9301E+01 1.1236E+01 O6 5011 15.999400 -0.847600 1.6984E+01 -1.4152E+01 -1.2589E+01 H1 5012 1.008000 0.423800 1.6302E+01 -1.4828E+01 -1.2869E+01 H2 5013 1.008000 0.423800 1.6810E+01 -1.3874E+01 -1.1645E+01 O6 5014 15.999400 -0.847600 -1.0644E+01 1.8487E+01 1.5221E+01 H1 5015 1.008000 0.423800 -1.0885E+01 1.8130E+01 1.4318E+01 H2 5016 1.008000 0.423800 -1.0223E+01 1.9388E+01 1.5121E+01 O6 5017 15.999400 -0.847600 1.0203E+01 -4.0627E+00 5.7875E+00 H1 5018 1.008000 0.423800 9.4640E+00 -4.6431E+00 5.4445E+00 H2 5019 1.008000 0.423800 1.0250E+01 -4.1369E+00 6.7836E+00 O6 5020 15.999400 -0.847600 -1.3070E+01 -5.8783E+00 1.8213E+01 H1 5021 1.008000 0.423800 -1.3266E+01 -5.9092E+00 1.7232E+01 H2 5022 1.008000 0.423800 -1.3650E+01 -6.5386E+00 1.8689E+01 O6 5023 15.999400 -0.847600 -1.4170E+01 -9.4750E+00 -1.5898E+01 H1 5024 1.008000 0.423800 -1.3660E+01 -1.0335E+01 -1.5869E+01 H2 5025 1.008000 0.423800 -1.3571E+01 -8.7235E+00 -1.5621E+01 O6 5026 15.999400 -0.847600 1.2308E+01 1.9406E+01 -1.5637E+01 H1 5027 1.008000 0.423800 1.2581E+01 -1.9341E+01 -1.4740E+01 H2 5028 1.008000 0.423800 1.1447E+01 -1.9265E+01 -1.5913E+01 O6 5029 15.999400 -0.847600 -3.2552E+00 -1.2091E+00 3.1982E+00 H1 5030 1.008000 0.423800 -2.7210E+00 -1.8674E+00 2.6678E+00 H2 5031 1.008000 0.423800 -2.8190E+00 -1.0645E+00 4.0863E+00 O6 5032 15.999400 -0.847600 -1.8061E+01 1.7566E+01 1.2949E+01 H1 5033 1.008000 0.423800 -1.8418E+01 1.8213E+01 1.2275E+01 H2 5034 1.008000 0.423800 -1.8493E+01 1.7737E+01 1.3835E+01 O6 5035 15.999400 -0.847600 5.9178E+00 -1.0488E+01 -3.6701E+00 H1 5036 1.008000 0.423800 5.7397E+00 -9.5409E+00 -3.4036E+00 H2 5037 1.008000 0.423800 6.2542E+00 -1.0999E+01 -2.8791E+00 O6 5038 15.999400 -0.847600 3.5381E+00 -1.5592E+01 -1.7186E+00 H1 5039 1.008000 0.423800 2.5665E+00 -1.5796E+01 -1.8385E+00 H2 5040 1.008000 0.423800 4.0834E+00 -1.6251E+01 -2.2366E+00 O6 5041 15.999400 -0.847600 9.5259E+00 6.0175E+00 -5.1798E+00 H1 5042 1.008000 0.423800 9.0748E+00 6.8403E+00 -4.8340E+00 H2 5043 1.008000 0.423800 1.0416E+01 5.9135E+00 -4.7354E+00 O6 5044 15.999400 -0.847600 2.7435E+00 1.3730E+01 1.8170E+01 H1 5045 1.008000 0.423800 2.5262E+00 1.4262E+01 1.7352E+01 H2 5046 1.008000 0.423800 2.3529E+00 1.4179E+01 1.8974E+01 O6 5047 15.999400 -0.847600 1.8379E+01 -7.2157E+00 -5.3082E+00 H1 5048 1.008000 0.423800 1.9302E+01 -7.3143E+00 -4.9350E+00 H2 5049 1.008000 0.423800 1.8204E+01 -6.2526E+00 -5.5124E+00 O6 5050 15.999400 -0.847600 -1.5093E+01 2.9852E+00 1.7879E+01 H1 5051 1.008000 0.423800 -1.5540E+01 3.4905E+00 1.8617E+01 H2 5052 1.008000 0.423800 -1.5719E+01 2.9048E+00 1.7103E+01 O6 5053 15.999400 -0.847600 -1.1453E+01 1.9286E+01 -3.9753E-01 H1 5054 1.008000 0.423800 -1.0965E+01 -1.9087E+01 -8.8410E-01 H2 5055 1.008000 0.423800 -1.0800E+01 1.8733E+01 1.1963E-01 O6 5056 15.999400 -0.847600 1.9170E+01 2.7254E+00 -5.3243E+00 H1 5057 1.008000 0.423800 1.9109E+01 1.7306E+00 -5.4057E+00 H2 5058 1.008000 0.423800 1.8396E+01 3.1464E+00 -5.7970E+00 O6 5059 15.999400 -0.847600 1.1017E+00 5.7130E+00 -3.2839E+00 H1 5060 1.008000 0.423800 7.7765E-01 5.1792E+00 -2.5028E+00 H2 5061 1.008000 0.423800 1.6712E+00 5.1356E+00 -3.8689E+00 O6 5062 15.999400 -0.847600 8.2254E+00 1.4883E+01 1.5943E+01 H1 5063 1.008000 0.423800 8.1025E+00 1.3911E+01 1.6142E+01 H2 5064 1.008000 0.423800 8.1795E+00 1.5406E+01 1.6794E+01 O6 5065 15.999400 -0.847600 1.3978E+01 -1.8529E+01 -6.9900E-01 H1 5066 1.008000 0.423800 1.4367E+01 -1.8476E+01 2.2074E-01 H2 5067 1.008000 0.423800 1.3427E+01 -1.7714E+01 -8.7571E-01 O6 5068 15.999400 -0.847600 -9.8177E+00 1.0486E+01 -1.8296E+00 H1 5069 1.008000 0.423800 -9.7008E+00 1.0593E+01 -8.4228E-01 H2 5070 1.008000 0.423800 -1.0756E+01 1.0724E+01 -2.0820E+00 O6 5071 15.999400 -0.847600 -1.5588E+01 1.3359E+01 1.2612E+01 H1 5072 1.008000 0.423800 -1.4806E+01 1.3262E+01 1.3227E+01 H2 5073 1.008000 0.423800 -1.5307E+01 1.3143E+01 1.1678E+01 O6 5074 15.999400 -0.847600 1.0574E+01 -1.2591E+01 1.4645E+01 H1 5075 1.008000 0.423800 1.1292E+01 -1.3228E+01 1.4925E+01 H2 5076 1.008000 0.423800 9.7667E+00 -1.3106E+01 1.4355E+01 O6 5077 15.999400 -0.847600 5.5734E+00 -1.5306E+01 1.6001E+01 H1 5078 1.008000 0.423800 4.9458E+00 -1.6007E+01 1.6340E+01 H2 5079 1.008000 0.423800 5.7812E+00 -1.5481E+01 1.5039E+01 O6 5080 15.999400 -0.847600 1.4945E+01 -1.5539E+01 9.7477E+00 H1 5081 1.008000 0.423800 1.5055E+01 -1.6142E+01 1.0538E+01 H2 5082 1.008000 0.423800 1.4859E+01 -1.4593E+01 1.0060E+01 O6 5083 15.999400 -0.847600 -1.2176E+01 -2.5653E+00 -1.4330E+01 H1 5084 1.008000 0.423800 -1.2160E+01 -3.2225E+00 -1.5083E+01 H2 5085 1.008000 0.423800 -1.2350E+01 -3.0473E+00 -1.3471E+01 O6 5086 15.999400 -0.847600 -1.1858E+01 -1.0756E+01 -1.9027E+00 H1 5087 1.008000 0.423800 -1.2220E+01 -1.1127E+01 -1.0480E+00 H2 5088 1.008000 0.423800 -1.2282E+01 -1.1225E+01 -2.6768E+00 O6 5089 15.999400 -0.847600 1.7746E+01 1.4076E+00 1.5153E+01 H1 5090 1.008000 0.423800 1.7394E+01 1.4225E+00 1.6090E+01 H2 5091 1.008000 0.423800 1.8449E+01 7.0089E-01 1.5072E+01 O6 5092 15.999400 -0.847600 1.7546E+01 -1.6554E+01 8.3857E+00 H1 5093 1.008000 0.423800 1.8500E+01 -1.6371E+01 8.6250E+00 H2 5094 1.008000 0.423800 1.6948E+01 -1.5951E+01 8.9135E+00 O6 5095 15.999400 -0.847600 -2.1942E+00 -2.5387E+00 -1.8681E+01 H1 5096 1.008000 0.423800 -2.5237E+00 -1.6142E+00 -1.8873E+01 H2 5097 1.008000 0.423800 -2.6182E+00 -3.1825E+00 -1.9318E+01 O6 5098 15.999400 -0.847600 7.6345E+00 -1.1822E+01 -1.9151E+00 H1 5099 1.008000 0.423800 7.8683E+00 -1.2784E+01 -1.7728E+00 H2 5100 1.008000 0.423800 8.3867E+00 -1.1246E+01 -1.5958E+00 O6 5101 15.999400 -0.847600 4.2215E+00 2.3203E+00 -1.5331E+01 H1 5102 1.008000 0.423800 3.3034E+00 2.0069E+00 -1.5088E+01 H2 5103 1.008000 0.423800 4.7501E+00 1.5534E+00 -1.5695E+01 O6 5104 15.999400 -0.847600 1.3263E+01 -1.4732E+01 -8.1795E+00 H1 5105 1.008000 0.423800 1.2913E+01 -1.5564E+01 -7.7493E+00 H2 5106 1.008000 0.423800 1.3795E+01 -1.4210E+01 -7.5123E+00 O6 5107 15.999400 -0.847600 -1.6568E+00 2.5794E+00 -9.9941E+00 H1 5108 1.008000 0.423800 -1.3051E+00 3.3324E+00 -9.4378E+00 H2 5109 1.008000 0.423800 -9.0885E-01 2.1778E+00 -1.0522E+01 O6 5110 15.999400 -0.847600 4.3705E-02 1.3134E+01 -1.6639E+00 H1 5111 1.008000 0.423800 -6.4571E-01 1.3301E+01 -2.3687E+00 H2 5112 1.008000 0.423800 -3.8707E-01 1.2700E+01 -8.7271E-01 O6 5113 15.999400 -0.847600 1.4034E+01 -1.8248E+01 -9.3486E+00 H1 5114 1.008000 0.423800 1.4694E+01 -1.7621E+01 -9.7624E+00 H2 5115 1.008000 0.423800 1.3284E+01 -1.8414E+01 -9.9893E+00 O6 5116 15.999400 -0.847600 7.7963E+00 1.2774E+01 9.5087E+00 H1 5117 1.008000 0.423800 7.4771E+00 1.3690E+01 9.7538E+00 H2 5118 1.008000 0.423800 7.4014E+00 1.2508E+01 8.6295E+00 O6 5119 15.999400 -0.847600 1.1511E+01 -6.3860E+00 -1.2212E+01 H1 5120 1.008000 0.423800 1.1660E+01 -6.0906E+00 -1.3156E+01 H2 5121 1.008000 0.423800 1.2130E+01 -5.8875E+00 -1.1605E+01 O6 5122 15.999400 -0.847600 1.0147E+00 1.6191E+01 -1.3668E+00 H1 5123 1.008000 0.423800 8.6254E-01 1.6688E+01 -2.2212E+00 H2 5124 1.008000 0.423800 8.0013E-01 1.5223E+01 -1.5013E+00 O6 5125 15.999400 -0.847600 2.3941E+00 -7.7974E+00 3.0293E+00 H1 5126 1.008000 0.423800 2.7391E+00 -6.8594E+00 3.0623E+00 H2 5127 1.008000 0.423800 1.4707E+00 -7.8265E+00 3.4120E+00 O6 5128 15.999400 -0.847600 -2.0210E-01 -4.1738E+00 -3.5565E+00 H1 5129 1.008000 0.423800 1.4665E-02 -5.0632E+00 -3.9591E+00 H2 5130 1.008000 0.423800 5.6801E-01 -3.8638E+00 -2.9990E+00 O6 5131 15.999400 -0.847600 -2.6225E+00 1.6635E+00 1.4921E+01 H1 5132 1.008000 0.423800 -1.6443E+00 1.4893E+00 1.5034E+01 H2 5133 1.008000 0.423800 -3.0132E+00 9.8139E-01 1.4303E+01 O6 5134 15.999400 -0.847600 1.0022E+01 -1.6804E+01 1.0195E+01 H1 5135 1.008000 0.423800 1.0996E+01 -1.7022E+01 1.0254E+01 H2 5136 1.008000 0.423800 9.8764E+00 -1.5852E+01 1.0464E+01 O6 5137 15.999400 -0.847600 -3.2149E+00 1.7387E+01 -3.1204E+00 H1 5138 1.008000 0.423800 -2.7830E+00 1.7963E+01 -3.8139E+00 H2 5139 1.008000 0.423800 -4.1882E+00 1.7288E+01 -3.3276E+00 O6 5140 15.999400 -0.847600 1.4025E+01 -1.0425E+01 -9.9926E-01 H1 5141 1.008000 0.423800 1.3046E+01 -1.0610E+01 -1.0845E+00 H2 5142 1.008000 0.423800 1.4441E+01 -1.1105E+01 -3.9521E-01 O6 5143 15.999400 -0.847600 2.7008E+00 -1.7173E+01 -6.1662E+00 H1 5144 1.008000 0.423800 3.2964E+00 -1.6406E+01 -5.9279E+00 H2 5145 1.008000 0.423800 3.1914E+00 -1.7801E+01 -6.7706E+00 O6 5146 15.999400 -0.847600 -9.5775E+00 1.5461E+01 -8.3649E+00 H1 5147 1.008000 0.423800 -9.7391E+00 1.6446E+01 -8.4258E+00 H2 5148 1.008000 0.423800 -1.0446E+01 1.4990E+01 -8.2095E+00 O6 5149 15.999400 -0.847600 1.8897E+00 1.1828E+01 -1.2912E+01 H1 5150 1.008000 0.423800 1.2908E+00 1.2420E+01 -1.3451E+01 H2 5151 1.008000 0.423800 1.3446E+00 1.1114E+01 -1.2473E+01 O6 5152 15.999400 -0.847600 -1.2967E+01 1.1053E+01 -1.1605E+00 H1 5153 1.008000 0.423800 -1.2570E+01 1.0255E+01 -7.0653E-01 H2 5154 1.008000 0.423800 -1.3020E+01 1.0885E+01 -2.1447E+00 O6 5155 15.999400 -0.847600 -1.3722E+01 6.8304E+00 -1.5798E+01 H1 5156 1.008000 0.423800 -1.4547E+01 6.4243E+00 -1.5404E+01 H2 5157 1.008000 0.423800 -1.3976E+01 7.4379E+00 -1.6550E+01 O6 5158 15.999400 -0.847600 1.4353E+01 4.8385E+00 1.5052E+01 H1 5159 1.008000 0.423800 1.4223E+01 3.8489E+00 1.4993E+01 H2 5160 1.008000 0.423800 1.3962E+01 5.1755E+00 1.5909E+01 O6 5161 15.999400 -0.847600 -1.2983E+00 9.9707E+00 -9.1217E+00 H1 5162 1.008000 0.423800 -4.9538E-01 9.3756E+00 -9.1566E+00 H2 5163 1.008000 0.423800 -2.0995E+00 9.4690E+00 -9.4477E+00 O6 5164 15.999400 -0.847600 -3.7481E+00 1.5497E+01 1.8018E+01 H1 5165 1.008000 0.423800 -4.7205E+00 1.5329E+01 1.7856E+01 H2 5166 1.008000 0.423800 -3.2487E+00 1.5418E+01 1.7155E+01 O6 5167 15.999400 -0.847600 -4.4020E+00 -8.3574E+00 3.1488E+00 H1 5168 1.008000 0.423800 -3.7786E+00 -7.5762E+00 3.1123E+00 H2 5169 1.008000 0.423800 -5.0038E+00 -8.2667E+00 3.9422E+00 O6 5170 15.999400 -0.847600 -6.1224E+00 1.7557E+01 1.2898E+01 H1 5171 1.008000 0.423800 -6.7852E+00 1.8176E+01 1.2476E+01 H2 5172 1.008000 0.423800 -6.5007E+00 1.6632E+01 1.2925E+01 O6 5173 15.999400 -0.847600 -4.1692E+00 -1.6944E+01 -1.9362E+01 H1 5174 1.008000 0.423800 -4.3587E+00 -1.7892E+01 1.9476E+01 H2 5175 1.008000 0.423800 -3.8718E+00 -1.6432E+01 1.8930E+01 O6 5176 15.999400 -0.847600 -1.4253E-01 1.7368E+01 -1.3437E+01 H1 5177 1.008000 0.423800 1.1281E-01 1.7364E+01 -1.4404E+01 H2 5178 1.008000 0.423800 -1.0880E+00 1.7680E+01 -1.3344E+01 O6 5179 15.999400 -0.847600 7.3425E+00 7.0298E+00 5.9710E+00 H1 5180 1.008000 0.423800 6.6917E+00 7.1357E+00 5.2191E+00 H2 5181 1.008000 0.423800 8.2642E+00 7.2421E+00 5.6464E+00 O6 5182 15.999400 -0.847600 7.5643E+00 -6.6656E-01 1.4115E+01 H1 5183 1.008000 0.423800 7.8327E+00 7.5789E-03 1.3426E+01 H2 5184 1.008000 0.423800 7.2312E+00 -1.4925E+00 1.3660E+01 O6 5185 15.999400 -0.847600 1.8519E+01 -4.4368E+00 -6.4832E+00 H1 5186 1.008000 0.423800 1.9438E+01 -4.2210E+00 -6.8122E+00 H2 5187 1.008000 0.423800 1.8229E+01 -3.7424E+00 -5.8245E+00 O6 5188 15.999400 -0.847600 -1.6575E+01 -5.9161E+00 -3.0732E-01 H1 5189 1.008000 0.423800 -1.7196E+01 -6.5973E+00 -6.9485E-01 H2 5190 1.008000 0.423800 -1.7082E+01 -5.0780E+00 -1.0700E-01 O6 5191 15.999400 -0.847600 3.3438E+00 -5.2730E+00 3.8553E+00 H1 5192 1.008000 0.423800 4.0417E+00 -5.1192E+00 3.1558E+00 H2 5193 1.008000 0.423800 3.2853E+00 -4.4709E+00 4.4497E+00 O6 5194 15.999400 -0.847600 9.6562E+00 1.1190E+01 7.3631E+00 H1 5195 1.008000 0.423800 9.8938E+00 1.1793E+01 8.1246E+00 H2 5196 1.008000 0.423800 1.0006E+01 1.1577E+01 6.5099E+00 O6 5197 15.999400 -0.847600 -1.4417E+01 1.1506E+01 -1.6107E+01 H1 5198 1.008000 0.423800 -1.3858E+01 1.0761E+01 -1.5741E+01 H2 5199 1.008000 0.423800 -1.3843E+01 1.2311E+01 -1.6257E+01 O6 5200 15.999400 -0.847600 1.7180E+01 -1.9354E+01 8.8255E+00 H1 5201 1.008000 0.423800 1.7219E+01 -1.8399E+01 8.5319E+00 H2 5202 1.008000 0.423800 1.8095E+01 1.9343E+01 8.7769E+00 O6 5203 15.999400 -0.847600 -7.8340E-01 -1.4514E+01 1.8630E+01 H1 5204 1.008000 0.423800 -6.5511E-01 -1.3800E+01 1.7941E+01 H2 5205 1.008000 0.423800 -1.3614E+00 -1.4165E+01 1.9368E+01 O6 5206 15.999400 -0.847600 5.9714E+00 1.8270E+01 1.4795E+01 H1 5207 1.008000 0.423800 5.7391E+00 1.7302E+01 1.4705E+01 H2 5208 1.008000 0.423800 6.3366E+00 1.8442E+01 1.5710E+01 O6 5209 15.999400 -0.847600 1.7656E+01 -1.8590E+01 4.1727E+00 H1 5210 1.008000 0.423800 1.7443E+01 -1.9501E+01 4.5234E+00 H2 5211 1.008000 0.423800 1.8265E+01 -1.8670E+01 3.3841E+00 O6 5212 15.999400 -0.847600 -1.3259E+01 1.3625E+01 -1.8875E+01 H1 5213 1.008000 0.423800 -1.3735E+01 1.4036E+01 1.9445E+01 H2 5214 1.008000 0.423800 -1.2978E+01 1.4344E+01 -1.8239E+01 O6 5215 15.999400 -0.847600 1.0778E+01 -1.3281E+01 4.6234E+00 H1 5216 1.008000 0.423800 9.9116E+00 -1.3777E+01 4.5737E+00 H2 5217 1.008000 0.423800 1.0602E+01 -1.2298E+01 4.5688E+00 O6 5218 15.999400 -0.847600 -4.3964E+00 -4.4220E+00 1.4684E+01 H1 5219 1.008000 0.423800 -4.8349E+00 -3.6922E+00 1.5208E+01 H2 5220 1.008000 0.423800 -3.4325E+00 -4.4854E+00 1.4943E+01 O6 5221 15.999400 -0.847600 -3.8592E+00 8.3036E+00 -2.2925E+00 H1 5222 1.008000 0.423800 -3.7099E+00 7.3253E+00 -2.1486E+00 H2 5223 1.008000 0.423800 -4.4267E+00 8.6663E+00 -1.5533E+00 O6 5224 15.999400 -0.847600 -5.5141E+00 -1.0832E+01 -1.2953E+01 H1 5225 1.008000 0.423800 -6.2527E+00 -1.0808E+01 -1.2279E+01 H2 5226 1.008000 0.423800 -4.7645E+00 -1.0245E+01 -1.2647E+01 O6 5227 15.999400 -0.847600 -1.0808E+01 -1.8016E+01 -6.2927E+00 H1 5228 1.008000 0.423800 -1.1377E+01 -1.7877E+01 -7.1031E+00 H2 5229 1.008000 0.423800 -1.1113E+01 -1.8835E+01 -5.8074E+00 O6 5230 15.999400 -0.847600 1.3539E+01 -1.3391E+01 -1.2889E+01 H1 5231 1.008000 0.423800 1.3612E+01 -1.3021E+01 -1.3815E+01 H2 5232 1.008000 0.423800 1.2596E+01 -1.3308E+01 -1.2570E+01 O6 5233 15.999400 -0.847600 -4.4563E+00 -1.7997E+00 8.9276E+00 H1 5234 1.008000 0.423800 -4.1227E+00 -2.4715E+00 9.5890E+00 H2 5235 1.008000 0.423800 -5.0509E+00 -2.2528E+00 8.2635E+00 O6 5236 15.999400 -0.847600 7.4909E+00 1.4618E+01 -4.5018E-01 H1 5237 1.008000 0.423800 7.8477E+00 1.4263E+01 -1.3143E+00 H2 5238 1.008000 0.423800 8.1696E+00 1.4482E+01 2.7151E-01 O6 5239 15.999400 -0.847600 -3.0232E+00 -4.7543E+00 8.1389E+00 H1 5240 1.008000 0.423800 -3.0858E+00 -4.3637E+00 9.0573E+00 H2 5241 1.008000 0.423800 -2.3367E+00 -5.4813E+00 8.1320E+00 O6 5242 15.999400 -0.847600 5.9279E+00 -5.2810E+00 1.5950E+01 H1 5243 1.008000 0.423800 6.6239E+00 -5.9420E+00 1.5669E+01 H2 5244 1.008000 0.423800 6.3725E+00 -4.4435E+00 1.6267E+01 O6 5245 15.999400 -0.847600 -1.6402E+01 1.6965E+01 9.9837E-01 H1 5246 1.008000 0.423800 -1.5475E+01 1.6687E+01 7.4602E-01 H2 5247 1.008000 0.423800 -1.6971E+01 1.7011E+01 1.7755E-01 O6 5248 15.999400 -0.847600 -1.3827E+01 1.7542E+01 -2.9800E+00 H1 5249 1.008000 0.423800 -1.4799E+01 1.7420E+01 -3.1813E+00 H2 5250 1.008000 0.423800 -1.3716E+01 1.7812E+01 -2.0236E+00 O6 5251 15.999400 -0.847600 7.2252E+00 8.6555E-01 4.0323E+00 H1 5252 1.008000 0.423800 6.8956E+00 4.3559E-02 4.4968E+00 H2 5253 1.008000 0.423800 6.9921E+00 8.1564E-01 3.0612E+00 O6 5254 15.999400 -0.847600 7.8462E-01 9.7797E+00 1.0055E+01 H1 5255 1.008000 0.423800 2.3418E-01 8.9757E+00 1.0280E+01 H2 5256 1.008000 0.423800 1.9866E-01 1.0482E+01 9.6510E+00 O6 5257 15.999400 -0.847600 1.5461E+01 1.5328E+01 -1.6376E+01 H1 5258 1.008000 0.423800 1.4684E+01 1.4707E+01 -1.6476E+01 H2 5259 1.008000 0.423800 1.5431E+01 1.5756E+01 -1.5472E+01 O6 5260 15.999400 -0.847600 1.0071E+01 -1.3220E+00 1.0224E+00 H1 5261 1.008000 0.423800 9.3673E+00 -6.1492E-01 1.0892E+00 H2 5262 1.008000 0.423800 1.0744E+01 -1.1924E+00 1.7507E+00 O6 5263 15.999400 -0.847600 5.9591E+00 1.1341E+01 -5.8824E+00 H1 5264 1.008000 0.423800 6.6126E+00 1.0955E+01 -6.5337E+00 H2 5265 1.008000 0.423800 5.9880E+00 1.0817E+01 -5.0313E+00 O6 5266 15.999400 -0.847600 1.3063E+01 -1.1679E+01 -1.7806E+01 H1 5267 1.008000 0.423800 1.2234E+01 -1.1904E+01 -1.8318E+01 H2 5268 1.008000 0.423800 1.3080E+01 -1.0697E+01 -1.7615E+01 O6 5269 15.999400 -0.847600 5.5430E+00 1.6484E+01 8.1182E+00 H1 5270 1.008000 0.423800 6.4311E+00 1.6851E+01 8.3950E+00 H2 5271 1.008000 0.423800 5.3482E+00 1.6758E+01 7.1763E+00 O6 5272 15.999400 -0.847600 -1.3554E+00 -8.9385E+00 1.0002E+01 H1 5273 1.008000 0.423800 -7.0044E-01 -9.4218E+00 9.4211E+00 H2 5274 1.008000 0.423800 -1.7503E+00 -9.5776E+00 1.0662E+01 O6 5275 15.999400 -0.847600 -1.0725E+01 1.8068E+01 -1.6968E+01 H1 5276 1.008000 0.423800 -9.8267E+00 1.8484E+01 -1.6826E+01 H2 5277 1.008000 0.423800 -1.1330E+01 1.8725E+01 -1.7416E+01 O6 5278 15.999400 -0.847600 -1.5733E+01 -1.8554E+00 1.7848E+01 H1 5279 1.008000 0.423800 -1.5730E+01 -2.5102E+00 1.7093E+01 H2 5280 1.008000 0.423800 -1.6225E+01 -1.0297E+00 1.7572E+01 O6 5281 15.999400 -0.847600 1.3492E+01 1.4075E+01 -1.8060E+01 H1 5282 1.008000 0.423800 1.2659E+01 1.3740E+01 -1.7619E+01 H2 5283 1.008000 0.423800 1.3256E+01 1.4795E+01 -1.8713E+01 O6 5284 15.999400 -0.847600 -1.7524E+01 7.0574E+00 8.7801E+00 H1 5285 1.008000 0.423800 -1.8146E+01 6.3873E+00 8.3751E+00 H2 5286 1.008000 0.423800 -1.6824E+01 6.5826E+00 9.3139E+00 O6 5287 15.999400 -0.847600 7.9257E+00 -1.4173E+01 -9.1998E+00 H1 5288 1.008000 0.423800 7.6745E+00 -1.3442E+01 -8.5653E+00 H2 5289 1.008000 0.423800 7.9292E+00 -1.3817E+01 -1.0134E+01 O6 5290 15.999400 -0.847600 4.3430E+00 -2.0642E+00 1.2007E+01 H1 5291 1.008000 0.423800 3.3445E+00 -2.0105E+00 1.2020E+01 H2 5292 1.008000 0.423800 4.6267E+00 -3.0179E+00 1.2107E+01 O6 5293 15.999400 -0.847600 7.1851E+00 1.8032E+01 2.4264E+00 H1 5294 1.008000 0.423800 7.0394E+00 1.8018E+01 3.4157E+00 H2 5295 1.008000 0.423800 7.9314E+00 1.8660E+01 2.2082E+00 O6 5296 15.999400 -0.847600 -1.5033E+00 -4.9354E+00 1.6086E+01 H1 5297 1.008000 0.423800 -6.5267E-01 -4.7716E+00 1.6586E+01 H2 5298 1.008000 0.423800 -1.3859E+00 -5.7190E+00 1.5476E+01 O6 5299 15.999400 -0.847600 -1.1307E+01 -1.8547E-01 -1.4034E+01 H1 5300 1.008000 0.423800 -1.1703E+01 -1.1016E+00 -1.3970E+01 H2 5301 1.008000 0.423800 -1.0391E+01 -1.8904E-01 -1.3632E+01 O6 5302 15.999400 -0.847600 5.4236E+00 2.4702E+00 5.5227E+00 H1 5303 1.008000 0.423800 5.8195E+00 2.9334E+00 6.3156E+00 H2 5304 1.008000 0.423800 6.1575E+00 2.1256E+00 4.9373E+00 O6 5305 15.999400 -0.847600 -6.7565E+00 1.3482E+01 -1.0999E+01 H1 5306 1.008000 0.423800 -7.3107E+00 1.4309E+01 -1.0909E+01 H2 5307 1.008000 0.423800 -7.2875E+00 1.2774E+01 -1.1465E+01 O6 5308 15.999400 -0.847600 -5.0217E+00 -9.5390E+00 -3.9971E+00 H1 5309 1.008000 0.423800 -4.4056E+00 -1.0265E+01 -3.6911E+00 H2 5310 1.008000 0.423800 -5.8238E+00 -9.9452E+00 -4.4347E+00 O6 5311 15.999400 -0.847600 -3.5089E+00 -4.3792E+00 -1.6106E+01 H1 5312 1.008000 0.423800 -2.5171E+00 -4.4894E+00 -1.6171E+01 H2 5313 1.008000 0.423800 -3.8878E+00 -4.2263E+00 -1.7019E+01 O6 5314 15.999400 -0.847600 9.9281E+00 -1.9158E+01 8.6928E+00 H1 5315 1.008000 0.423800 9.9947E+00 -1.8362E+01 9.2951E+00 H2 5316 1.008000 0.423800 1.0758E+01 1.9388E+01 8.7772E+00 O6 5317 15.999400 -0.847600 -9.9693E+00 5.3801E+00 3.6591E-01 H1 5318 1.008000 0.423800 -1.0806E+01 5.1267E+00 -1.1997E-01 H2 5319 1.008000 0.423800 -1.0113E+01 6.2433E+00 8.4968E-01 O6 5320 15.999400 -0.847600 -1.2797E+01 -1.2328E+01 -4.3301E+00 H1 5321 1.008000 0.423800 -1.3081E+01 -1.2884E+01 -5.1112E+00 H2 5322 1.008000 0.423800 -1.1799E+01 -1.2265E+01 -4.3108E+00 O6 5323 15.999400 -0.847600 9.2928E+00 2.2353E+00 9.1692E-02 H1 5324 1.008000 0.423800 9.3251E+00 2.8941E+00 8.4331E-01 H2 5325 1.008000 0.423800 1.0222E+01 2.0481E+00 -2.2747E-01 O6 5326 15.999400 -0.847600 1.7194E+01 -2.2184E+00 -1.5516E+00 H1 5327 1.008000 0.423800 1.7349E+01 -2.5419E+00 -2.4850E+00 H2 5328 1.008000 0.423800 1.6215E+01 -2.0702E+00 -1.4089E+00 O6 5329 15.999400 -0.847600 7.4884E+00 -8.9706E+00 1.9359E+01 H1 5330 1.008000 0.423800 8.2694E+00 -9.2908E+00 1.8822E+01 H2 5331 1.008000 0.423800 6.9497E+00 -8.3290E+00 1.8813E+01 O6 5332 15.999400 -0.847600 -2.2527E+00 1.0233E+01 -1.3708E+01 H1 5333 1.008000 0.423800 -1.6104E+00 1.0477E+01 -1.2982E+01 H2 5334 1.008000 0.423800 -1.7779E+00 9.6982E+00 -1.4407E+01 O6 5335 15.999400 -0.847600 1.8462E+01 1.0219E+01 1.0819E+01 H1 5336 1.008000 0.423800 1.8735E+01 1.0809E+01 1.0059E+01 H2 5337 1.008000 0.423800 1.8073E+01 9.3706E+00 1.0459E+01 O6 5338 15.999400 -0.847600 -1.6421E+01 1.6445E-01 -1.3379E+01 H1 5339 1.008000 0.423800 -1.7231E+01 -4.1793E-02 -1.3928E+01 H2 5340 1.008000 0.423800 -1.6035E+01 -6.8616E-01 -1.3022E+01 O6 5341 15.999400 -0.847600 -9.3505E+00 -1.7213E+01 -1.7241E+01 H1 5342 1.008000 0.423800 -1.0122E+01 -1.6965E+01 -1.6655E+01 H2 5343 1.008000 0.423800 -9.2057E+00 -1.6496E+01 -1.7923E+01 O6 5344 15.999400 -0.847600 -1.3165E+01 6.7301E-01 -1.0589E+01 H1 5345 1.008000 0.423800 -1.2354E+01 9.6428E-01 -1.1096E+01 H2 5346 1.008000 0.423800 -1.3984E+01 1.0256E+00 -1.1040E+01 O6 5347 15.999400 -0.847600 1.6985E+01 5.1283E+00 1.4503E+01 H1 5348 1.008000 0.423800 1.6040E+01 4.9422E+00 1.4774E+01 H2 5349 1.008000 0.423800 1.7435E+01 4.2707E+00 1.4256E+01 O6 5350 15.999400 -0.847600 1.0186E+01 -1.0878E+01 1.9675E+00 H1 5351 1.008000 0.423800 1.0127E+01 -1.0735E+01 2.9554E+00 H2 5352 1.008000 0.423800 9.4703E+00 -1.0350E+01 1.5107E+00 O6 5353 15.999400 -0.847600 -1.6578E+01 -6.6144E+00 9.6075E+00 H1 5354 1.008000 0.423800 -1.7038E+01 -5.7686E+00 9.3366E+00 H2 5355 1.008000 0.423800 -1.5707E+01 -6.3946E+00 1.0047E+01 O6 5356 15.999400 -0.847600 -1.7959E+01 1.0336E+01 2.1439E+00 H1 5357 1.008000 0.423800 -1.7600E+01 1.1196E+01 1.7828E+00 H2 5358 1.008000 0.423800 -1.8920E+01 1.0454E+01 2.3937E+00 O6 5359 15.999400 -0.847600 7.1614E+00 1.4900E+01 1.3516E+01 H1 5360 1.008000 0.423800 6.3394E+00 1.4338E+01 1.3608E+01 H2 5361 1.008000 0.423800 7.5442E+00 1.5081E+01 1.4422E+01 O6 5362 15.999400 -0.847600 -1.8298E+01 1.2259E+01 1.3792E+01 H1 5363 1.008000 0.423800 -1.7378E+01 1.1958E+01 1.3543E+01 H2 5364 1.008000 0.423800 -1.8742E+01 1.1552E+01 1.4343E+01 O6 5365 15.999400 -0.847600 1.5950E+01 -1.6991E+00 5.8077E+00 H1 5366 1.008000 0.423800 1.5547E+01 -1.6837E+00 6.7224E+00 H2 5367 1.008000 0.423800 1.5692E+01 -8.6829E-01 5.3150E+00 O6 5368 15.999400 -0.847600 -1.7804E+01 1.3682E+01 -8.1381E+00 H1 5369 1.008000 0.423800 -1.7288E+01 1.4522E+01 -7.9706E+00 H2 5370 1.008000 0.423800 -1.7959E+01 1.3576E+01 -9.1205E+00 O6 5371 15.999400 -0.847600 -7.8697E+00 -7.9672E-01 -6.3748E+00 H1 5372 1.008000 0.423800 -6.9533E+00 -3.9657E-01 -6.3664E+00 H2 5373 1.008000 0.423800 -8.3906E+00 -4.2049E-01 -7.1410E+00 O6 5374 15.999400 -0.847600 1.2234E+01 -9.1429E+00 -1.7097E+01 H1 5375 1.008000 0.423800 1.1721E+01 -9.4522E+00 -1.6296E+01 H2 5376 1.008000 0.423800 1.2660E+01 -8.2601E+00 -1.6899E+01 O6 5377 15.999400 -0.847600 1.7226E+01 1.5602E+01 -1.1769E+01 H1 5378 1.008000 0.423800 1.8057E+01 1.6069E+01 -1.1464E+01 H2 5379 1.008000 0.423800 1.7453E+01 1.4968E+01 -1.2508E+01 O6 5380 15.999400 -0.847600 7.8754E+00 3.8420E+00 -1.6368E+01 H1 5381 1.008000 0.423800 7.1468E+00 4.3128E+00 -1.6865E+01 H2 5382 1.008000 0.423800 8.3710E+00 3.2397E+00 -1.6994E+01 O6 5383 15.999400 -0.847600 8.8769E+00 6.1571E+00 -8.7262E+00 H1 5384 1.008000 0.423800 8.7230E+00 7.1134E+00 -8.4777E+00 H2 5385 1.008000 0.423800 8.0144E+00 5.7466E+00 -9.0219E+00 O6 5386 15.999400 -0.847600 1.8368E+01 1.3604E+00 -1.5683E+01 H1 5387 1.008000 0.423800 1.7643E+01 1.0558E+00 -1.5066E+01 H2 5388 1.008000 0.423800 1.8227E+01 9.5738E-01 -1.6588E+01 O6 5389 15.999400 -0.847600 -1.0389E+01 -1.8849E+01 1.9138E+01 H1 5390 1.008000 0.423800 -1.0869E+01 -1.7995E+01 1.8936E+01 H2 5391 1.008000 0.423800 -9.4123E+00 -1.8732E+01 1.8957E+01 O6 5392 15.999400 -0.847600 -1.3161E+01 -1.0924E+01 -1.2622E+01 H1 5393 1.008000 0.423800 -1.2600E+01 -1.0276E+01 -1.3138E+01 H2 5394 1.008000 0.423800 -1.4084E+01 -1.0555E+01 -1.2516E+01 O6 5395 15.999400 -0.847600 -1.0900E+00 1.5254E+01 2.0444E+00 H1 5396 1.008000 0.423800 -1.0645E+00 1.4963E+01 3.0010E+00 H2 5397 1.008000 0.423800 -1.2722E+00 1.4463E+01 1.4606E+00 O6 5398 15.999400 -0.847600 1.3954E+01 1.8231E+01 -1.7487E+01 H1 5399 1.008000 0.423800 1.3314E+01 1.8770E+01 -1.6940E+01 H2 5400 1.008000 0.423800 1.3677E+01 1.8259E+01 -1.8447E+01 O6 5401 15.999400 -0.847600 6.1342E-01 5.2824E+00 -9.0104E+00 H1 5402 1.008000 0.423800 -3.6735E-01 5.4051E+00 -9.1623E+00 H2 5403 1.008000 0.423800 9.7417E-01 6.0696E+00 -8.5103E+00 O6 5404 15.999400 -0.847600 -5.6527E+00 1.2654E+01 9.9122E+00 H1 5405 1.008000 0.423800 -6.0697E+00 1.1760E+01 1.0075E+01 H2 5406 1.008000 0.423800 -4.8918E+00 1.2787E+01 1.0547E+01 O6 5407 15.999400 -0.847600 -5.0386E+00 -5.0577E+00 1.1997E+01 H1 5408 1.008000 0.423800 -4.7616E+00 -4.6547E+00 1.2869E+01 H2 5409 1.008000 0.423800 -6.0008E+00 -4.8479E+00 1.1823E+01 O6 5410 15.999400 -0.847600 -1.4365E+01 8.9290E+00 -5.3260E+00 H1 5411 1.008000 0.423800 -1.3452E+01 8.7807E+00 -4.9465E+00 H2 5412 1.008000 0.423800 -1.4739E+01 8.0582E+00 -5.6461E+00 O6 5413 15.999400 -0.847600 6.9092E+00 1.2061E+01 2.3165E+00 H1 5414 1.008000 0.423800 7.4843E+00 1.1332E+01 2.6875E+00 H2 5415 1.008000 0.423800 7.4689E+00 1.2678E+01 1.7633E+00 O6 5416 15.999400 -0.847600 -1.1213E+01 1.0942E+01 -7.8243E+00 H1 5417 1.008000 0.423800 -1.1381E+01 9.9953E+00 -8.1000E+00 H2 5418 1.008000 0.423800 -1.0237E+01 1.1070E+01 -7.6511E+00 O6 5419 15.999400 -0.847600 1.7425E+01 1.9287E+01 -1.0946E+01 H1 5420 1.008000 0.423800 1.7558E+01 1.9475E+01 -9.9728E+00 H2 5421 1.008000 0.423800 1.7955E+01 1.8479E+01 -1.1205E+01 O6 5422 15.999400 -0.847600 1.1117E+00 7.6391E+00 -6.6999E+00 H1 5423 1.008000 0.423800 1.9062E-01 7.3106E+00 -6.4906E+00 H2 5424 1.008000 0.423800 1.6608E+00 7.6462E+00 -5.8642E+00 O6 5425 15.999400 -0.847600 -1.5406E+01 -1.4747E+01 1.1989E+01 H1 5426 1.008000 0.423800 -1.5941E+01 -1.5577E+01 1.2144E+01 H2 5427 1.008000 0.423800 -1.4785E+01 -1.4890E+01 1.1219E+01 O6 5428 15.999400 -0.847600 1.1120E+01 -9.8421E+00 -3.6366E+00 H1 5429 1.008000 0.423800 1.1940E+01 -9.3169E+00 -3.4103E+00 H2 5430 1.008000 0.423800 1.1316E+01 -1.0819E+01 -3.5553E+00 O6 5431 15.999400 -0.847600 1.5100E+01 -1.5143E+01 -9.0835E-01 H1 5432 1.008000 0.423800 1.4693E+01 -1.4230E+01 -8.6508E-01 H2 5433 1.008000 0.423800 1.4974E+01 -1.5606E+01 -3.0912E-02 O6 5434 15.999400 -0.847600 -1.2286E+01 1.3355E+01 1.6838E+01 H1 5435 1.008000 0.423800 -1.1358E+01 1.3131E+01 1.7138E+01 H2 5436 1.008000 0.423800 -1.2880E+01 1.2562E+01 1.6972E+01 O6 5437 15.999400 -0.847600 3.5252E+00 -2.0064E+00 -1.9271E+01 H1 5438 1.008000 0.423800 3.6425E+00 -1.8117E+00 1.8852E+01 H2 5439 1.008000 0.423800 3.3354E+00 -1.1554E+00 -1.8782E+01 O6 5440 15.999400 -0.847600 -1.4537E+01 7.2339E+00 1.6958E+01 H1 5441 1.008000 0.423800 -1.5220E+01 7.9541E+00 1.7078E+01 H2 5442 1.008000 0.423800 -1.4484E+01 6.9825E+00 1.5992E+01 O6 5443 15.999400 -0.847600 -2.3457E+00 1.7326E+01 1.9459E+01 H1 5444 1.008000 0.423800 -1.8665E+00 1.6946E+01 -1.8848E+01 H2 5445 1.008000 0.423800 -2.8469E+00 1.6598E+01 1.8991E+01 O6 5446 15.999400 -0.847600 1.1516E+00 -8.8163E+00 -1.2173E+01 H1 5447 1.008000 0.423800 1.8414E+00 -8.4277E+00 -1.2784E+01 H2 5448 1.008000 0.423800 1.3794E+00 -8.5894E+00 -1.1226E+01 O6 5449 15.999400 -0.847600 1.1123E+01 3.3353E+00 -1.3581E+01 H1 5450 1.008000 0.423800 1.0891E+01 3.7401E+00 -1.4465E+01 H2 5451 1.008000 0.423800 1.0883E+01 2.3645E+00 -1.3586E+01 O6 5452 15.999400 -0.847600 -1.8683E+01 1.3492E+01 9.0367E+00 H1 5453 1.008000 0.423800 -1.9421E+01 1.2901E+01 8.7133E+00 H2 5454 1.008000 0.423800 -1.8747E+01 1.3593E+01 1.0030E+01 O6 5455 15.999400 -0.847600 9.0009E-01 9.5173E+00 4.6239E+00 H1 5456 1.008000 0.423800 1.4186E+00 1.0032E+01 5.3065E+00 H2 5457 1.008000 0.423800 1.1766E+00 8.5567E+00 4.6505E+00 O6 5458 15.999400 -0.847600 -1.5691E+01 1.9250E+01 1.3214E+01 H1 5459 1.008000 0.423800 -1.5514E+01 1.8286E+01 1.3413E+01 H2 5460 1.008000 0.423800 -1.6151E+01 1.9329E+01 1.2330E+01 O6 5461 15.999400 -0.847600 -1.1389E+01 -7.4299E+00 -1.0853E+01 H1 5462 1.008000 0.423800 -1.2218E+01 -7.0310E+00 -1.0463E+01 H2 5463 1.008000 0.423800 -1.0899E+01 -7.9389E+00 -1.0145E+01 O6 5464 15.999400 -0.847600 -9.8717E+00 -3.6628E+00 -4.2984E+00 H1 5465 1.008000 0.423800 -9.5110E+00 -3.8427E+00 -3.3832E+00 H2 5466 1.008000 0.423800 -1.0547E+01 -2.9268E+00 -4.2516E+00 O6 5467 15.999400 -0.847600 1.7202E+01 -9.9653E+00 1.1313E+01 H1 5468 1.008000 0.423800 1.7311E+01 -1.0959E+01 1.1335E+01 H2 5469 1.008000 0.423800 1.6242E+01 -9.7323E+00 1.1472E+01 O6 5470 15.999400 -0.847600 1.9032E+01 7.3642E+00 3.1172E+00 H1 5471 1.008000 0.423800 -1.9356E+01 7.1628E+00 2.4420E+00 H2 5472 1.008000 0.423800 1.8344E+01 7.9636E+00 2.7087E+00 O6 5473 15.999400 -0.847600 -1.4871E+01 1.8004E+01 3.5943E+00 H1 5474 1.008000 0.423800 -1.5420E+01 1.7170E+01 3.6517E+00 H2 5475 1.008000 0.423800 -1.3901E+01 1.7770E+01 3.6566E+00 O6 5476 15.999400 -0.847600 -7.6589E+00 -3.6908E+00 1.2523E+01 H1 5477 1.008000 0.423800 -8.4030E+00 -3.2655E+00 1.2008E+01 H2 5478 1.008000 0.423800 -7.7074E+00 -3.4011E+00 1.3479E+01 O6 5479 15.999400 -0.847600 -3.4747E-01 7.2105E+00 -1.3233E+01 H1 5480 1.008000 0.423800 -1.0498E+00 6.5506E+00 -1.3500E+01 H2 5481 1.008000 0.423800 3.0343E-01 6.7719E+00 -1.2613E+01 O6 5482 15.999400 -0.847600 1.1827E+00 1.0960E+01 -6.0775E+00 H1 5483 1.008000 0.423800 3.2030E-01 1.1397E+01 -6.3328E+00 H2 5484 1.008000 0.423800 1.0608E+00 9.9678E+00 -6.0598E+00 O6 5485 15.999400 -0.847600 1.7205E+01 5.9483E+00 7.8703E+00 H1 5486 1.008000 0.423800 1.7388E+01 6.0889E+00 6.8973E+00 H2 5487 1.008000 0.423800 1.7969E+01 5.4549E+00 8.2853E+00 O6 5488 15.999400 -0.847600 5.1824E+00 1.1738E+01 6.0773E+00 H1 5489 1.008000 0.423800 5.7891E+00 1.1291E+01 6.7344E+00 H2 5490 1.008000 0.423800 4.4409E+00 1.2197E+01 6.5670E+00 O6 5491 15.999400 -0.847600 -5.1547E+00 -1.2952E+01 -1.2832E+00 H1 5492 1.008000 0.423800 -4.5534E+00 -1.2451E+01 -1.9055E+00 H2 5493 1.008000 0.423800 -4.8612E+00 -1.2798E+01 -3.3978E-01 O6 5494 15.999400 -0.847600 4.2113E+00 -9.2668E+00 -1.1611E+01 H1 5495 1.008000 0.423800 4.6666E+00 -8.6803E+00 -1.0941E+01 H2 5496 1.008000 0.423800 3.8164E+00 -8.7013E+00 -1.2335E+01 O6 5497 15.999400 -0.847600 -1.9981E+00 1.1663E+00 -4.1966E-01 H1 5498 1.008000 0.423800 -2.7725E+00 5.3811E-01 -3.4312E-01 H2 5499 1.008000 0.423800 -2.3342E+00 2.1077E+00 -4.4782E-01 O6 5500 15.999400 -0.847600 5.2856E+00 1.7081E+01 5.4809E+00 H1 5501 1.008000 0.423800 5.0823E+00 1.6166E+01 5.1306E+00 H2 5502 1.008000 0.423800 4.7284E+00 1.7755E+01 4.9960E+00 O6 5503 15.999400 -0.847600 -4.7820E+00 1.2298E+01 -1.5119E+01 H1 5504 1.008000 0.423800 -4.8741E+00 1.1707E+01 -1.4318E+01 H2 5505 1.008000 0.423800 -5.0808E+00 1.3224E+01 -1.4885E+01 O6 5506 15.999400 -0.847600 6.7650E+00 -1.4471E+01 1.0587E+01 H1 5507 1.008000 0.423800 6.1201E+00 -1.4065E+01 1.1234E+01 H2 5508 1.008000 0.423800 6.4249E+00 -1.5364E+01 1.0293E+01 O6 5509 15.999400 -0.847600 -1.2553E+00 1.1008E+01 4.3316E+00 H1 5510 1.008000 0.423800 -4.2500E-01 1.0462E+01 4.2203E+00 H2 5511 1.008000 0.423800 -1.0119E+00 1.1922E+01 4.6567E+00 O6 5512 15.999400 -0.847600 -5.6191E+00 -1.3686E+01 -4.6342E+00 H1 5513 1.008000 0.423800 -5.5935E+00 -1.3937E+01 -3.6664E+00 H2 5514 1.008000 0.423800 -4.6958E+00 -1.3460E+01 -4.9443E+00 O6 5515 15.999400 -0.847600 -2.0210E-01 3.7674E+00 -1.7994E+00 H1 5516 1.008000 0.423800 -1.0696E+00 3.8080E+00 -1.3036E+00 H2 5517 1.008000 0.423800 -2.6220E-01 3.0768E+00 -2.5201E+00 O6 5518 15.999400 -0.847600 3.5790E+00 1.8884E+01 -1.0307E+01 H1 5519 1.008000 0.423800 3.6913E+00 1.8417E+01 -1.1184E+01 H2 5520 1.008000 0.423800 4.4584E+00 1.9260E+01 -1.0014E+01 O6 5521 15.999400 -0.847600 1.5959E+01 1.2071E+01 1.5119E+01 H1 5522 1.008000 0.423800 1.6385E+01 1.1746E+01 1.4275E+01 H2 5523 1.008000 0.423800 1.4966E+01 1.2088E+01 1.5006E+01 O6 5524 15.999400 -0.847600 -7.0836E+00 -1.4193E+01 -1.2538E+01 H1 5525 1.008000 0.423800 -7.9430E+00 -1.4348E+01 -1.3025E+01 H2 5526 1.008000 0.423800 -7.2081E+00 -1.3463E+01 -1.1867E+01 O6 5527 15.999400 -0.847600 -5.0202E+00 1.0005E+01 -1.3550E+01 H1 5528 1.008000 0.423800 -4.0481E+00 1.0212E+01 -1.3439E+01 H2 5529 1.008000 0.423800 -5.1242E+00 9.1861E+00 -1.4115E+01 O6 5530 15.999400 -0.847600 1.5730E+01 1.3279E+00 -1.8803E+01 H1 5531 1.008000 0.423800 1.5553E+01 3.7070E-01 -1.8573E+01 H2 5532 1.008000 0.423800 1.4860E+01 1.8113E+00 -1.8906E+01 O6 5533 15.999400 -0.847600 9.3860E+00 -1.3768E+01 1.6314E+00 H1 5534 1.008000 0.423800 9.1088E+00 -1.2835E+01 1.8615E+00 H2 5535 1.008000 0.423800 9.1082E+00 -1.3977E+01 6.9363E-01 O6 5536 15.999400 -0.847600 -5.8568E+00 1.3602E+01 -2.1243E+00 H1 5537 1.008000 0.423800 -5.6558E+00 1.2670E+01 -2.4272E+00 H2 5538 1.008000 0.423800 -5.2731E+00 1.3832E+01 -1.3458E+00 O6 5539 15.999400 -0.847600 2.3628E+00 3.3032E+00 -8.9343E+00 H1 5540 1.008000 0.423800 1.5732E+00 3.9168E+00 -8.9461E+00 H2 5541 1.008000 0.423800 3.1590E+00 3.7915E+00 -8.5772E+00 O6 5542 15.999400 -0.847600 -1.9133E+01 -7.8173E+00 1.7376E+01 H1 5543 1.008000 0.423800 1.9387E+01 -7.9388E+00 1.8183E+01 H2 5544 1.008000 0.423800 1.9387E+01 -7.6814E+00 1.6571E+01 O6 5545 15.999400 -0.847600 -1.4585E+01 1.4874E+00 6.2889E+00 H1 5546 1.008000 0.423800 -1.3732E+01 1.7037E+00 5.8128E+00 H2 5547 1.008000 0.423800 -1.5016E+01 6.9571E-01 5.8565E+00 O6 5548 15.999400 -0.847600 5.9967E+00 -1.5792E+01 -1.3931E+01 H1 5549 1.008000 0.423800 5.8699E+00 -1.6578E+01 -1.3326E+01 H2 5550 1.008000 0.423800 5.4561E+00 -1.5021E+01 -1.3594E+01 O6 5551 15.999400 -0.847600 4.0917E+00 1.3065E+01 -1.1319E+01 H1 5552 1.008000 0.423800 4.0729E+00 1.3094E+01 -1.0320E+01 H2 5553 1.008000 0.423800 3.1609E+00 1.2951E+01 -1.1667E+01 O6 5554 15.999400 -0.847600 9.7063E+00 8.5930E+00 -3.9781E+00 H1 5555 1.008000 0.423800 1.0230E+01 8.5418E+00 -4.8286E+00 H2 5556 1.008000 0.423800 9.4634E+00 9.5453E+00 -3.7932E+00 O6 5557 15.999400 -0.847600 1.8509E+01 1.9371E+01 -4.8217E+00 H1 5558 1.008000 0.423800 1.9218E+01 1.8852E+01 -5.2991E+00 H2 5559 1.008000 0.423800 1.7672E+01 1.9373E+01 -5.3686E+00 O6 5560 15.999400 -0.847600 3.5807E+00 1.0628E+01 -3.5431E+00 H1 5561 1.008000 0.423800 2.9911E+00 1.1422E+01 -3.6922E+00 H2 5562 1.008000 0.423800 3.1364E+00 9.8100E+00 -3.9077E+00 O6 5563 15.999400 -0.847600 -7.4506E+00 1.8318E+01 -5.0535E+00 H1 5564 1.008000 0.423800 -7.0340E+00 1.7666E+01 -5.6870E+00 H2 5565 1.008000 0.423800 -6.8361E+00 1.9096E+01 -4.9246E+00 O6 5566 15.999400 -0.847600 1.1454E-01 -5.5067E+00 -1.2551E+01 H1 5567 1.008000 0.423800 -2.0462E-01 -6.0051E+00 -1.1745E+01 H2 5568 1.008000 0.423800 -5.5614E-01 -4.8071E+00 -1.2797E+01 O6 5569 15.999400 -0.847600 1.2206E+01 7.2112E-03 8.3949E+00 H1 5570 1.008000 0.423800 1.2442E+01 1.3205E-01 9.3586E+00 H2 5571 1.008000 0.423800 1.2849E+01 -6.3224E-01 7.9741E+00 O6 5572 15.999400 -0.847600 5.7018E+00 -5.5117E+00 2.2695E+00 H1 5573 1.008000 0.423800 6.2819E+00 -4.7261E+00 2.4848E+00 H2 5574 1.008000 0.423800 6.2192E+00 -6.3560E+00 2.4086E+00 O6 5575 15.999400 -0.847600 -1.6825E+01 -1.7025E+01 -1.9474E+01 H1 5576 1.008000 0.423800 -1.5895E+01 -1.7379E+01 1.9533E+01 H2 5577 1.008000 0.423800 -1.7159E+01 -1.6731E+01 1.8728E+01 O6 5578 15.999400 -0.847600 -1.8978E+01 1.9330E+01 -9.7368E-01 H1 5579 1.008000 0.423800 -1.8174E+01 -1.9498E+01 -4.4387E-01 H2 5580 1.008000 0.423800 -1.9036E+01 1.8332E+01 -1.0067E+00 O6 5581 15.999400 -0.847600 7.1992E+00 -3.8996E+00 -7.5067E+00 H1 5582 1.008000 0.423800 7.1789E+00 -4.8630E+00 -7.2395E+00 H2 5583 1.008000 0.423800 6.3829E+00 -3.6851E+00 -8.0431E+00 O6 5584 15.999400 -0.847600 1.9190E+01 5.9985E+00 -7.7202E+00 H1 5585 1.008000 0.423800 -1.9541E+01 6.9247E+00 -7.8091E+00 H2 5586 1.008000 0.423800 -1.9156E+01 5.3543E+00 -7.5817E+00 O6 5587 15.999400 -0.847600 -4.2347E+00 4.2171E+00 -7.1689E+00 H1 5588 1.008000 0.423800 -3.9023E+00 3.2769E+00 -7.2426E+00 H2 5589 1.008000 0.423800 -3.6380E+00 4.8238E+00 -7.6942E+00 O6 5590 15.999400 -0.847600 -2.8029E+00 -1.2999E+01 -1.0183E+01 H1 5591 1.008000 0.423800 -2.3480E+00 -1.2111E+01 -1.0249E+01 H2 5592 1.008000 0.423800 -2.1380E+00 -1.3695E+01 -9.9116E+00 O6 5593 15.999400 -0.847600 -1.1961E+00 1.2243E+01 7.6045E-01 H1 5594 1.008000 0.423800 -8.1923E-01 1.1319E+01 8.2199E-01 H2 5595 1.008000 0.423800 -2.1935E+00 1.2194E+01 7.0840E-01 O6 5596 15.999400 -0.847600 -1.3322E+01 -1.0307E+01 9.2305E+00 H1 5597 1.008000 0.423800 -1.3789E+01 -1.0878E+01 9.9057E+00 H2 5598 1.008000 0.423800 -1.2823E+01 -1.0890E+01 8.5896E+00 O6 5599 15.999400 -0.847600 1.0376E+01 -7.7308E+00 1.2952E+01 H1 5600 1.008000 0.423800 1.0245E+01 -8.6987E+00 1.3166E+01 H2 5601 1.008000 0.423800 1.1354E+01 -7.5374E+00 1.2869E+01 O6 5602 15.999400 -0.847600 5.5176E+00 -1.8783E+01 1.8351E+01 H1 5603 1.008000 0.423800 4.9422E+00 -1.8032E+01 1.8028E+01 H2 5604 1.008000 0.423800 5.1051E+00 -1.9193E+01 1.9165E+01 O6 5605 15.999400 -0.847600 1.7646E+00 -9.8757E+00 -1.5419E+01 H1 5606 1.008000 0.423800 2.7425E+00 -9.9510E+00 -1.5223E+01 H2 5607 1.008000 0.423800 1.2744E+00 -1.0613E+01 -1.4955E+01 O6 5608 15.999400 -0.847600 -1.0551E+01 6.5799E+00 7.4200E+00 H1 5609 1.008000 0.423800 -9.7587E+00 5.9802E+00 7.5354E+00 H2 5610 1.008000 0.423800 -1.0252E+01 7.4586E+00 7.0477E+00 O6 5611 15.999400 -0.847600 2.6780E+00 8.5716E+00 -1.5412E+01 H1 5612 1.008000 0.423800 2.2577E+00 9.1007E+00 -1.6150E+01 H2 5613 1.008000 0.423800 3.0831E+00 7.7386E+00 -1.5789E+01 O6 5614 15.999400 -0.847600 1.3621E+01 5.0423E-01 1.4908E+00 H1 5615 1.008000 0.423800 1.4289E+01 -2.4017E-01 1.4745E+00 H2 5616 1.008000 0.423800 1.3754E+01 1.0525E+00 2.3165E+00 O6 5617 15.999400 -0.847600 -4.9652E-01 9.8701E-02 -1.3636E+01 H1 5618 1.008000 0.423800 -7.0728E-01 -8.2794E-01 -1.3947E+01 H2 5619 1.008000 0.423800 -1.3057E+00 4.9739E-01 -1.3204E+01 O6 5620 15.999400 -0.847600 1.4974E+01 -1.3337E+01 -1.9009E+01 H1 5621 1.008000 0.423800 1.4489E+01 -1.3651E+01 1.9273E+01 H2 5622 1.008000 0.423800 1.4382E+01 -1.2725E+01 -1.8484E+01 O6 5623 15.999400 -0.847600 -2.7913E+00 3.9424E+00 -7.7920E-01 H1 5624 1.008000 0.423800 -2.9152E+00 4.7035E+00 -1.4159E+00 H2 5625 1.008000 0.423800 -3.5606E+00 3.9130E+00 -1.4109E-01 O6 5626 15.999400 -0.847600 9.5804E+00 1.6428E+01 -1.0948E+01 H1 5627 1.008000 0.423800 8.6773E+00 1.6014E+01 -1.0836E+01 H2 5628 1.008000 0.423800 9.5601E+00 1.7069E+01 -1.1715E+01 O6 5629 15.999400 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-1.6663E+01 6.8221E+00 H2 5646 1.008000 0.423800 1.6798E+01 -1.7544E+01 5.4496E+00 O6 5647 15.999400 -0.847600 1.2539E+01 -1.7930E+01 1.3411E+01 H1 5648 1.008000 0.423800 1.1739E+01 -1.7435E+01 1.3750E+01 H2 5649 1.008000 0.423800 1.2240E+01 -1.8714E+01 1.2867E+01 O6 5650 15.999400 -0.847600 -9.0602E+00 -1.4939E+01 6.3783E+00 H1 5651 1.008000 0.423800 -9.0314E+00 -1.4225E+01 5.6784E+00 H2 5652 1.008000 0.423800 -1.0012E+01 -1.5168E+01 6.5818E+00 O6 5653 15.999400 -0.847600 -5.5844E+00 9.4740E+00 -8.3741E+00 H1 5654 1.008000 0.423800 -5.9693E+00 1.0331E+01 -8.7165E+00 H2 5655 1.008000 0.423800 -5.3760E+00 9.5677E+00 -7.4006E+00 O6 5656 15.999400 -0.847600 1.9403E+01 -8.2746E+00 7.8387E+00 H1 5657 1.008000 0.423800 1.8492E+01 -8.5321E+00 7.5183E+00 H2 5658 1.008000 0.423800 1.9538E+01 -7.2925E+00 7.7067E+00 O6 5659 15.999400 -0.847600 -1.6677E+01 -1.7646E+01 1.4929E+01 H1 5660 1.008000 0.423800 -1.7361E+01 -1.8021E+01 1.5554E+01 H2 5661 1.008000 0.423800 -1.6193E+01 -1.8395E+01 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0.423800 -1.5436E+01 -6.1518E+00 1.5616E+01 H2 5679 1.008000 0.423800 -1.4813E+01 -6.5532E+00 1.4161E+01 O6 5680 15.999400 -0.847600 -1.8250E+01 -1.0982E+01 4.5050E+00 H1 5681 1.008000 0.423800 -1.7582E+01 -1.1673E+01 4.7812E+00 H2 5682 1.008000 0.423800 -1.8047E+01 -1.0119E+01 4.9669E+00 O6 5683 15.999400 -0.847600 1.5467E+00 1.5546E+01 4.6691E+00 H1 5684 1.008000 0.423800 2.3330E+00 1.5860E+01 4.1370E+00 H2 5685 1.008000 0.423800 1.6821E+00 1.4591E+01 4.9318E+00 O6 5686 15.999400 -0.847600 -6.3155E+00 -3.8766E+00 -1.8530E+01 H1 5687 1.008000 0.423800 -6.4132E+00 -4.2963E+00 -1.9432E+01 H2 5688 1.008000 0.423800 -6.5349E+00 -4.5497E+00 -1.7823E+01 O6 5689 15.999400 -0.847600 -3.4386E+00 1.2759E+01 1.1894E+01 H1 5690 1.008000 0.423800 -3.3099E+00 1.2616E+01 1.2876E+01 H2 5691 1.008000 0.423800 -2.9968E+00 1.3613E+01 1.1621E+01 O6 5692 15.999400 -0.847600 1.2825E+01 -1.7336E+01 -7.2799E+00 H1 5693 1.008000 0.423800 1.3252E+01 -1.7806E+01 -8.0528E+00 H2 5694 1.008000 0.423800 1.3478E+01 -1.7277E+01 -6.5249E+00 O6 5695 15.999400 -0.847600 -1.1114E+01 -1.8886E+01 2.7800E+00 H1 5696 1.008000 0.423800 -1.0270E+01 -1.9002E+01 2.2562E+00 H2 5697 1.008000 0.423800 -1.1696E+01 -1.8210E+01 2.3283E+00 O6 5698 15.999400 -0.847600 1.7838E+01 1.4417E+01 -1.3961E+01 H1 5699 1.008000 0.423800 1.8459E+01 1.5006E+01 -1.4478E+01 H2 5700 1.008000 0.423800 1.7202E+01 1.3970E+01 -1.4590E+01 O6 5701 15.999400 -0.847600 -1.7357E+01 1.2226E+01 4.6993E+00 H1 5702 1.008000 0.423800 -1.8174E+01 1.2108E+01 4.1358E+00 H2 5703 1.008000 0.423800 -1.7101E+01 1.1348E+01 5.1033E+00 O6 5704 15.999400 -0.847600 -8.2218E+00 9.8671E+00 -1.9500E+01 H1 5705 1.008000 0.423800 -9.1045E+00 9.7341E+00 -1.9049E+01 H2 5706 1.008000 0.423800 -7.5220E+00 1.0060E+01 -1.8812E+01 O6 5707 15.999400 -0.847600 -4.3615E+00 -7.5478E+00 1.1697E+01 H1 5708 1.008000 0.423800 -4.6017E+00 -6.6133E+00 1.1960E+01 H2 5709 1.008000 0.423800 -3.3844E+00 -7.5949E+00 1.1489E+01 O6 5710 15.999400 -0.847600 8.1780E+00 -2.3798E-01 -4.8716E+00 H1 5711 1.008000 0.423800 7.7760E+00 5.1098E-01 -4.3448E+00 H2 5712 1.008000 0.423800 8.6330E+00 1.3122E-01 -5.6819E+00 O6 5713 15.999400 -0.847600 3.9874E+00 -1.8247E+01 1.2793E+00 H1 5714 1.008000 0.423800 3.9507E+00 -1.8436E+01 2.2606E+00 H2 5715 1.008000 0.423800 3.0782E+00 -1.8371E+01 8.8188E-01 O6 5716 15.999400 -0.847600 8.4486E+00 1.9379E+01 4.9870E+00 H1 5717 1.008000 0.423800 8.7846E+00 -1.9379E+01 4.1088E+00 H2 5718 1.008000 0.423800 7.9888E+00 -1.8979E+01 5.4776E+00 O6 5719 15.999400 -0.847600 1.8146E+01 1.0973E+01 -1.5431E+01 H1 5720 1.008000 0.423800 1.8569E+01 1.0214E+01 -1.5927E+01 H2 5721 1.008000 0.423800 1.8678E+01 1.1168E+01 -1.4606E+01 O6 5722 15.999400 -0.847600 4.1547E+00 9.3004E+00 4.2711E+00 H1 5723 1.008000 0.423800 4.0245E+00 9.6109E+00 3.3295E+00 H2 5724 1.008000 0.423800 4.5793E+00 1.0030E+01 4.8070E+00 O6 5725 15.999400 -0.847600 -5.1058E+00 -1.1914E+01 4.4760E+00 H1 5726 1.008000 0.423800 -5.7160E+00 -1.2638E+01 4.1545E+00 H2 5727 1.008000 0.423800 -4.6264E+00 -1.1511E+01 3.6961E+00 O6 5728 15.999400 -0.847600 1.6823E+01 -4.3166E+00 -1.2001E+01 H1 5729 1.008000 0.423800 1.6331E+01 -3.5239E+00 -1.1641E+01 H2 5730 1.008000 0.423800 1.7123E+01 -4.1264E+00 -1.2936E+01 O6 5731 15.999400 -0.847600 1.1576E+01 -6.1838E+00 -3.7100E+00 H1 5732 1.008000 0.423800 1.0593E+01 -6.1100E+00 -3.8764E+00 H2 5733 1.008000 0.423800 1.1832E+01 -7.1484E+00 -3.6497E+00 O6 5734 15.999400 -0.847600 4.0148E+00 1.8896E+01 -1.3180E+01 H1 5735 1.008000 0.423800 4.5506E+00 1.9258E+01 -1.3942E+01 H2 5736 1.008000 0.423800 3.2795E+00 1.9535E+01 -1.2955E+01 O6 5737 15.999400 -0.847600 1.5186E+01 1.6034E+01 -1.3565E+01 H1 5738 1.008000 0.423800 1.4329E+01 1.5519E+01 -1.3539E+01 H2 5739 1.008000 0.423800 1.5789E+01 1.5714E+01 -1.2833E+01 O6 5740 15.999400 -0.847600 5.6130E+00 1.0186E+00 -9.0176E+00 H1 5741 1.008000 0.423800 6.3887E+00 1.2603E+00 -9.6005E+00 H2 5742 1.008000 0.423800 4.7657E+00 1.3403E+00 -9.4402E+00 O6 5743 15.999400 -0.847600 -1.6183E+01 1.1426E+01 1.6296E+01 H1 5744 1.008000 0.423800 -1.5238E+01 1.1214E+01 1.6543E+01 H2 5745 1.008000 0.423800 -1.6323E+01 1.1241E+01 1.5323E+01 O6 5746 15.999400 -0.847600 1.3867E+01 1.7592E+00 -9.5455E+00 H1 5747 1.008000 0.423800 1.4161E+01 2.2428E+00 -1.0370E+01 H2 5748 1.008000 0.423800 1.4554E+01 1.0764E+00 -9.2968E+00 O6 5749 15.999400 -0.847600 7.9452E+00 -7.3412E+00 3.1346E+00 H1 5750 1.008000 0.423800 7.8009E+00 -6.8943E+00 4.0175E+00 H2 5751 1.008000 0.423800 8.7359E+00 -6.9320E+00 2.6792E+00 O6 5752 15.999400 -0.847600 -1.3285E+01 -1.4423E+01 -6.1827E+00 H1 5753 1.008000 0.423800 -1.3961E+01 -1.4196E+01 -6.8839E+00 H2 5754 1.008000 0.423800 -1.3678E+01 -1.5083E+01 -5.5427E+00 O6 5755 15.999400 -0.847600 -7.3158E+00 -1.2385E+01 -1.8775E+01 H1 5756 1.008000 0.423800 -8.1755E+00 -1.2473E+01 -1.8271E+01 H2 5757 1.008000 0.423800 -7.1217E+00 -1.1418E+01 -1.8936E+01 O6 5758 15.999400 -0.847600 1.3438E+01 1.1985E+01 -1.1488E+01 H1 5759 1.008000 0.423800 1.3363E+01 1.1355E+01 -1.0715E+01 H2 5760 1.008000 0.423800 1.2912E+01 1.1630E+01 -1.2260E+01 O6 5761 15.999400 -0.847600 -1.9367E+01 -1.7613E+01 -9.6106E+00 H1 5762 1.008000 0.423800 -1.9261E+01 -1.7293E+01 -8.6690E+00 H2 5763 1.008000 0.423800 1.9232E+01 -1.6927E+01 -1.0141E+01 O6 5764 15.999400 -0.847600 1.5703E+00 1.6939E+01 -1.5645E+01 H1 5765 1.008000 0.423800 2.0726E+00 1.6105E+01 -1.5873E+01 H2 5766 1.008000 0.423800 2.1952E+00 1.7602E+01 -1.5233E+01 O6 5767 15.999400 -0.847600 -2.9609E+00 9.4637E+00 2.9744E+00 H1 5768 1.008000 0.423800 -3.1191E+00 8.6457E+00 3.5276E+00 H2 5769 1.008000 0.423800 -2.3482E+00 1.0084E+01 3.4642E+00 O6 5770 15.999400 -0.847600 1.8178E+01 -4.4451E+00 1.0280E+01 H1 5771 1.008000 0.423800 1.8018E+01 -4.5945E+00 9.3045E+00 H2 5772 1.008000 0.423800 1.7867E+01 -5.2442E+00 1.0795E+01 O6 5773 15.999400 -0.847600 -1.0347E+01 9.4263E+00 -1.3742E+01 H1 5774 1.008000 0.423800 -9.5748E+00 9.7240E+00 -1.4304E+01 H2 5775 1.008000 0.423800 -1.0420E+01 1.0015E+01 -1.2938E+01 O6 5776 15.999400 -0.847600 -2.5393E+00 -8.5657E+00 -8.5775E+00 H1 5777 1.008000 0.423800 -3.3664E+00 -8.9085E+00 -8.1321E+00 H2 5778 1.008000 0.423800 -2.0380E+00 -7.9780E+00 -7.9425E+00 O6 5779 15.999400 -0.847600 1.7959E+01 1.2569E+01 -9.8245E+00 H1 5780 1.008000 0.423800 1.7317E+01 1.2334E+01 -1.0554E+01 H2 5781 1.008000 0.423800 1.7489E+01 1.2537E+01 -8.9429E+00 O6 5782 15.999400 -0.847600 -1.2414E+01 1.7387E+00 1.8136E+01 H1 5783 1.008000 0.423800 -1.3277E+01 2.1245E+00 1.7812E+01 H2 5784 1.008000 0.423800 -1.2329E+01 1.8919E+00 1.9121E+01 O6 5785 15.999400 -0.847600 1.0077E+01 -7.8217E+00 9.9780E+00 H1 5786 1.008000 0.423800 1.0370E+01 -7.4830E+00 1.0872E+01 H2 5787 1.008000 0.423800 9.2754E+00 -8.4091E+00 1.0091E+01 O6 5788 15.999400 -0.847600 1.4579E+01 9.0379E+00 -1.9420E+01 H1 5789 1.008000 0.423800 1.4534E+01 8.7006E+00 -1.8480E+01 H2 5790 1.008000 0.423800 1.5451E+01 8.7693E+00 1.9268E+01 O6 5791 15.999400 -0.847600 7.3666E+00 -1.0796E+01 5.4992E+00 H1 5792 1.008000 0.423800 6.7531E+00 -1.0505E+01 6.2336E+00 H2 5793 1.008000 0.423800 7.2424E+00 -1.1773E+01 5.3282E+00 O6 5794 15.999400 -0.847600 -1.9231E+01 3.0902E+00 4.6000E+00 H1 5795 1.008000 0.423800 -1.9420E+01 2.7549E+00 5.5231E+00 H2 5796 1.008000 0.423800 1.9311E+01 2.5833E+00 3.9412E+00 O6 5797 15.999400 -0.847600 -1.4267E+01 -1.8364E+01 -3.8365E+00 H1 5798 1.008000 0.423800 -1.3340E+01 -1.8636E+01 -4.0955E+00 H2 5799 1.008000 0.423800 -1.4310E+01 -1.7369E+01 -3.7516E+00 O6 5800 15.999400 -0.847600 -1.0885E+01 -6.2242E+00 1.4396E+01 H1 5801 1.008000 0.423800 -1.0914E+01 -6.6699E+00 1.5291E+01 H2 5802 1.008000 0.423800 -1.0053E+01 -6.4988E+00 1.3913E+01 O6 5803 15.999400 -0.847600 1.5172E+01 1.2864E+01 1.0999E+01 H1 5804 1.008000 0.423800 1.4949E+01 1.2617E+01 1.0056E+01 H2 5805 1.008000 0.423800 1.6131E+01 1.2647E+01 1.1182E+01 O6 5806 15.999400 -0.847600 7.2250E+00 -1.3527E+01 5.6612E+00 H1 5807 1.008000 0.423800 7.9896E+00 -1.3821E+01 6.2347E+00 H2 5808 1.008000 0.423800 6.5725E+00 -1.4278E+01 5.5646E+00 O6 5809 15.999400 -0.847600 -1.3836E+00 -6.5651E+00 -1.0089E+01 H1 5810 1.008000 0.423800 -1.5229E+00 -7.4972E+00 -9.7552E+00 H2 5811 1.008000 0.423800 -2.2698E+00 -6.1157E+00 -1.0203E+01 O6 5812 15.999400 -0.847600 -2.0503E+00 -1.5536E+01 -6.0093E+00 H1 5813 1.008000 0.423800 -1.4220E+00 -1.5648E+01 -6.7792E+00 H2 5814 1.008000 0.423800 -2.5580E+00 -1.6386E+01 -5.8674E+00 O6 5815 15.999400 -0.847600 5.5237E+00 5.6900E+00 1.6742E+01 H1 5816 1.008000 0.423800 4.5404E+00 5.6022E+00 1.6902E+01 H2 5817 1.008000 0.423800 6.0219E+00 5.1827E+00 1.7445E+01 O6 5818 15.999400 -0.847600 1.7350E+01 1.6396E+01 8.2425E+00 H1 5819 1.008000 0.423800 1.7300E+01 1.7296E+01 8.6757E+00 H2 5820 1.008000 0.423800 1.8210E+01 1.6316E+01 7.7383E+00 O6 5821 15.999400 -0.847600 6.2261E+00 -1.6134E+01 4.4741E-01 H1 5822 1.008000 0.423800 6.6375E+00 -1.6205E+01 -4.6132E-01 H2 5823 1.008000 0.423800 5.6115E+00 -1.6909E+01 5.9621E-01 O6 5824 15.999400 -0.847600 1.6672E+01 1.8461E+01 1.8848E+01 H1 5825 1.008000 0.423800 1.6855E+01 1.7801E+01 1.8119E+01 H2 5826 1.008000 0.423800 1.6932E+01 1.8065E+01 -1.9369E+01 O6 5827 15.999400 -0.847600 1.7930E+00 4.7110E+00 -1.4470E+01 H1 5828 1.008000 0.423800 2.6626E+00 4.2280E+00 -1.4573E+01 H2 5829 1.008000 0.423800 1.7362E+00 5.1031E+00 -1.3552E+01 O6 5830 15.999400 -0.847600 1.2746E+01 -4.0679E+00 -1.9957E+00 H1 5831 1.008000 0.423800 1.2626E+01 -3.1586E+00 -2.3944E+00 H2 5832 1.008000 0.423800 1.2001E+01 -4.6640E+00 -2.2960E+00 O6 5833 15.999400 -0.847600 1.5627E+01 5.0088E+00 1.5172E+00 H1 5834 1.008000 0.423800 1.4760E+01 4.8143E+00 1.0596E+00 H2 5835 1.008000 0.423800 1.6339E+01 5.1607E+00 8.3138E-01 O6 5836 15.999400 -0.847600 -1.6536E-01 -1.5616E+01 -1.4224E+01 H1 5837 1.008000 0.423800 -7.7953E-01 -1.4907E+01 -1.3878E+01 H2 5838 1.008000 0.423800 5.0683E-01 -1.5204E+01 -1.4839E+01 O6 5839 15.999400 -0.847600 1.0875E+01 -8.9387E+00 7.4382E+00 H1 5840 1.008000 0.423800 1.0360E+01 -8.5056E+00 8.1777E+00 H2 5841 1.008000 0.423800 1.0582E+01 -8.5590E+00 6.5608E+00 O6 5842 15.999400 -0.847600 -7.5995E+00 1.8083E+00 -1.4310E+01 H1 5843 1.008000 0.423800 -6.8104E+00 1.5566E+00 -1.4871E+01 H2 5844 1.008000 0.423800 -7.2836E+00 2.1627E+00 -1.3430E+01 O6 5845 15.999400 -0.847600 -8.5339E-01 -1.9292E+01 -1.9411E+01 H1 5846 1.008000 0.423800 -7.6580E-01 -1.9327E+01 -1.8416E+01 H2 5847 1.008000 0.423800 -1.2928E+00 1.8968E+01 1.9361E+01 O6 5848 15.999400 -0.847600 -4.0655E+00 -8.8321E+00 8.1346E+00 H1 5849 1.008000 0.423800 -4.6996E+00 -8.6501E+00 8.8861E+00 H2 5850 1.008000 0.423800 -4.5688E+00 -8.8494E+00 7.2707E+00 O6 5851 15.999400 -0.847600 1.4772E+01 -1.4499E+01 7.2755E+00 H1 5852 1.008000 0.423800 1.5121E+01 -1.5107E+01 6.5616E+00 H2 5853 1.008000 0.423800 1.4567E+01 -1.5033E+01 8.0959E+00 O6 5854 15.999400 -0.847600 1.3002E+01 -7.1642E+00 1.3380E+01 H1 5855 1.008000 0.423800 1.3443E+01 -6.2887E+00 1.3182E+01 H2 5856 1.008000 0.423800 1.2774E+01 -7.2101E+00 1.4353E+01 O6 5857 15.999400 -0.847600 7.5065E+00 1.4746E+01 2.5774E+00 H1 5858 1.008000 0.423800 6.7957E+00 1.5443E+01 2.4869E+00 H2 5859 1.008000 0.423800 7.1150E+00 1.3922E+01 2.9886E+00 O6 5860 15.999400 -0.847600 6.2659E+00 6.2549E+00 -1.2442E+01 H1 5861 1.008000 0.423800 5.4783E+00 6.8631E+00 -1.2542E+01 H2 5862 1.008000 0.423800 6.2594E+00 5.5781E+00 -1.3179E+01 O6 5863 15.999400 -0.847600 6.7416E+00 4.6419E+00 2.5674E+00 H1 5864 1.008000 0.423800 6.0117E+00 4.0014E+00 2.3291E+00 H2 5865 1.008000 0.423800 6.4575E+00 5.1944E+00 3.3510E+00 O6 5866 15.999400 -0.847600 1.4305E+01 8.0746E+00 6.0661E+00 H1 5867 1.008000 0.423800 1.3929E+01 8.3792E+00 5.1912E+00 H2 5868 1.008000 0.423800 1.4649E+01 7.1402E+00 5.9736E+00 O6 5869 15.999400 -0.847600 -2.3227E+00 2.9528E+00 -1.8928E+01 H1 5870 1.008000 0.423800 -2.4025E+00 2.5531E+00 1.9257E+01 H2 5871 1.008000 0.423800 -1.5244E+00 3.5541E+00 -1.8896E+01 O6 5872 15.999400 -0.847600 -1.8748E+01 6.5885E+00 1.5911E+01 H1 5873 1.008000 0.423800 -1.8232E+01 6.4491E+00 1.5066E+01 H2 5874 1.008000 0.423800 -1.8377E+01 7.3766E+00 1.6402E+01 O6 5875 15.999400 -0.847600 1.1984E+01 -1.0675E+01 1.0904E+01 H1 5876 1.008000 0.423800 1.2797E+01 -1.0221E+01 1.0540E+01 H2 5877 1.008000 0.423800 1.1806E+01 -1.1510E+01 1.0383E+01 O6 5878 15.999400 -0.847600 1.4370E+01 -8.7495E+00 -7.5661E+00 H1 5879 1.008000 0.423800 1.4887E+01 -9.4913E+00 -7.1392E+00 H2 5880 1.008000 0.423800 1.3521E+01 -8.6014E+00 -7.0600E+00 O6 5881 15.999400 -0.847600 1.8803E+01 1.2963E+01 -2.4834E-01 H1 5882 1.008000 0.423800 1.9515E+01 1.2957E+01 4.5371E-01 H2 5883 1.008000 0.423800 1.8619E+01 1.2026E+01 -5.4415E-01 O6 5884 15.999400 -0.847600 -1.2168E+01 1.5707E+01 -7.1167E+00 H1 5885 1.008000 0.423800 -1.2544E+01 1.5289E+01 -6.2900E+00 H2 5886 1.008000 0.423800 -1.1305E+01 1.6162E+01 -6.8967E+00 O6 5887 15.999400 -0.847600 1.5925E+01 8.4281E+00 -1.4027E+01 H1 5888 1.008000 0.423800 1.5215E+01 7.7274E+00 -1.4095E+01 H2 5889 1.008000 0.423800 1.5662E+01 9.2238E+00 -1.4572E+01 O6 5890 15.999400 -0.847600 7.3075E+00 -4.3652E+00 9.0201E+00 H1 5891 1.008000 0.423800 8.1889E+00 -4.7112E+00 8.6984E+00 H2 5892 1.008000 0.423800 6.8992E+00 -5.0268E+00 9.6491E+00 O6 5893 15.999400 -0.847600 1.3739E+01 1.5138E+01 1.3325E+01 H1 5894 1.008000 0.423800 1.3086E+01 1.5198E+01 1.4080E+01 H2 5895 1.008000 0.423800 1.3300E+01 1.4700E+01 1.2540E+01 O6 5896 15.999400 -0.847600 5.7607E+00 -1.0348E+01 7.8921E+00 H1 5897 1.008000 0.423800 5.4500E+00 -9.6213E+00 8.5044E+00 H2 5898 1.008000 0.423800 6.0379E+00 -1.1143E+01 8.4321E+00 O6 5899 15.999400 -0.847600 1.8958E+01 -1.9023E+00 -1.3519E+01 H1 5900 1.008000 0.423800 -1.9299E+01 -1.6443E+00 -1.3994E+01 H2 5901 1.008000 0.423800 1.8673E+01 -1.1565E+00 -1.2917E+01 O6 5902 15.999400 -0.847600 1.1208E+00 -2.2236E+00 -1.5751E+01 H1 5903 1.008000 0.423800 1.8866E+00 -2.0199E+00 -1.5141E+01 H2 5904 1.008000 0.423800 1.0406E+00 -1.5013E+00 -1.6438E+01 O6 5905 15.999400 -0.847600 5.1885E+00 1.0821E+00 -1.2940E+01 H1 5906 1.008000 0.423800 4.5591E+00 1.2352E+00 -1.2178E+01 H2 5907 1.008000 0.423800 4.9098E+00 1.6422E+00 -1.3720E+01 O6 5908 15.999400 -0.847600 6.2042E-01 -2.9840E+00 1.4107E+01 H1 5909 1.008000 0.423800 3.6871E-01 -3.7600E+00 1.3528E+01 H2 5910 1.008000 0.423800 -1.9691E-01 -2.6258E+00 1.4558E+01 O6 5911 15.999400 -0.847600 -1.1847E+01 1.9133E+01 -4.8152E+00 H1 5912 1.008000 0.423800 -1.1208E+01 1.8531E+01 -5.2937E+00 H2 5913 1.008000 0.423800 -1.2460E+01 1.8583E+01 -4.2476E+00 O6 5914 15.999400 -0.847600 2.4315E+00 -8.7149E+00 -1.7967E+01 H1 5915 1.008000 0.423800 2.1544E+00 -8.9725E+00 -1.7041E+01 H2 5916 1.008000 0.423800 2.2738E+00 -9.4827E+00 -1.8588E+01 O6 5917 15.999400 -0.847600 1.7179E+01 -1.2640E+01 1.1654E+01 H1 5918 1.008000 0.423800 1.6569E+01 -1.3393E+01 1.1902E+01 H2 5919 1.008000 0.423800 1.8105E+01 -1.2994E+01 1.1515E+01 O6 5920 15.999400 -0.847600 9.6723E+00 -5.5854E+00 8.2534E+00 H1 5921 1.008000 0.423800 9.1428E+00 -6.1654E+00 7.6344E+00 H2 5922 1.008000 0.423800 1.0155E+01 -6.1584E+00 8.9155E+00 O6 5923 15.999400 -0.847600 1.3238E+01 1.5557E+01 -9.6005E-01 H1 5924 1.008000 0.423800 1.3429E+01 1.4897E+01 -1.6862E+00 H2 5925 1.008000 0.423800 1.4087E+01 1.5780E+01 -4.8050E-01 O6 5926 15.999400 -0.847600 -3.9767E-01 -9.5050E+00 1.5466E+01 H1 5927 1.008000 0.423800 -1.2804E-02 -1.0348E+01 1.5090E+01 H2 5928 1.008000 0.423800 1.0995E-01 -9.2443E+00 1.6288E+01 O6 5929 15.999400 -0.847600 -1.5140E+01 6.2787E+00 -6.6029E+00 H1 5930 1.008000 0.423800 -1.4536E+01 5.6994E+00 -7.1497E+00 H2 5931 1.008000 0.423800 -1.5679E+01 6.8636E+00 -7.2089E+00 O6 5932 15.999400 -0.847600 -4.4245E+00 1.0412E+01 -6.1373E+00 H1 5933 1.008000 0.423800 -3.6927E+00 1.0291E+01 -5.4664E+00 H2 5934 1.008000 0.423800 -4.1909E+00 1.1164E+01 -6.7539E+00 O6 5935 15.999400 -0.847600 1.1114E+01 -3.4673E+00 8.8805E+00 H1 5936 1.008000 0.423800 1.0516E+01 -4.2640E+00 8.9691E+00 H2 5937 1.008000 0.423800 1.1493E+01 -3.2341E+00 9.7760E+00 O6 5938 15.999400 -0.847600 -4.0568E+00 5.9097E+00 -1.6939E+01 H1 5939 1.008000 0.423800 -3.5862E+00 5.2616E+00 -1.6340E+01 H2 5940 1.008000 0.423800 -4.7493E+00 5.4264E+00 -1.7475E+01 O6 5941 15.999400 -0.847600 -9.8529E+00 -4.6270E+00 -1.6732E+00 H1 5942 1.008000 0.423800 -9.8888E+00 -5.6246E+00 -1.7317E+00 H2 5943 1.008000 0.423800 -1.0766E+01 -4.2720E+00 -1.4708E+00 O6 5944 15.999400 -0.847600 -1.7704E+01 -1.2792E+01 3.1710E-01 H1 5945 1.008000 0.423800 -1.6800E+01 -1.2940E+01 -8.2881E-02 H2 5946 1.008000 0.423800 -1.8268E+01 -1.3606E+01 1.7721E-01 O6 5947 15.999400 -0.847600 1.2868E+00 7.0428E+00 -1.8775E+01 H1 5948 1.008000 0.423800 6.3586E-01 7.6898E+00 -1.8378E+01 H2 5949 1.008000 0.423800 1.9201E+00 7.5327E+00 -1.9374E+01 O6 5950 15.999400 -0.847600 1.0487E+00 1.6672E+01 1.3541E+01 H1 5951 1.008000 0.423800 1.3259E+00 1.7603E+01 1.3304E+01 H2 5952 1.008000 0.423800 1.5380E+00 1.6021E+01 1.2960E+01 O6 5953 15.999400 -0.847600 1.1481E+01 5.6236E-01 1.4996E+01 H1 5954 1.008000 0.423800 1.1234E+01 1.0116E+00 1.5854E+01 H2 5955 1.008000 0.423800 1.2131E+01 -1.7484E-01 1.5180E+01 O6 5956 15.999400 -0.847600 8.2113E+00 -5.6648E+00 1.8619E+01 H1 5957 1.008000 0.423800 8.1304E+00 -4.9422E+00 1.9305E+01 H2 5958 1.008000 0.423800 7.3003E+00 -5.9207E+00 1.8295E+01 O6 5959 15.999400 -0.847600 -1.2494E+01 -1.5451E+00 -1.7606E+01 H1 5960 1.008000 0.423800 -1.2779E+01 -1.4664E+00 -1.8561E+01 H2 5961 1.008000 0.423800 -1.3119E+01 -2.1564E+00 -1.7120E+01 O6 5962 15.999400 -0.847600 -1.6340E+01 -1.3121E+01 4.7293E+00 H1 5963 1.008000 0.423800 -1.5577E+01 -1.3245E+01 5.3638E+00 H2 5964 1.008000 0.423800 -1.7116E+01 -1.3677E+01 5.0283E+00 O6 5965 15.999400 -0.847600 1.5154E+01 1.1692E+01 -1.7740E+01 H1 5966 1.008000 0.423800 1.5134E+01 1.1014E+01 -1.8475E+01 H2 5967 1.008000 0.423800 1.4701E+01 1.2529E+01 -1.8047E+01 O6 5968 15.999400 -0.847600 1.0123E+01 5.1589E+00 1.9204E+01 H1 5969 1.008000 0.423800 9.7575E+00 4.4015E+00 -1.9352E+01 H2 5970 1.008000 0.423800 1.0772E+01 5.6807E+00 -1.9340E+01 O6 5971 15.999400 -0.847600 -2.8886E+00 -3.9666E+00 1.8040E+01 H1 5972 1.008000 0.423800 -2.4078E+00 -4.2248E+00 1.7202E+01 H2 5973 1.008000 0.423800 -3.6627E+00 -3.3762E+00 1.7811E+01 O6 5974 15.999400 -0.847600 -9.1344E+00 -5.4395E+00 9.8352E+00 H1 5975 1.008000 0.423800 -9.2974E+00 -4.5760E+00 1.0312E+01 H2 5976 1.008000 0.423800 -8.6866E+00 -5.2572E+00 8.9598E+00 O6 5977 15.999400 -0.847600 1.3816E+01 1.9717E+00 1.5084E+01 H1 5978 1.008000 0.423800 1.2871E+01 1.6534E+00 1.5158E+01 H2 5979 1.008000 0.423800 1.4347E+01 1.6208E+00 1.5855E+01 O6 5980 15.999400 -0.847600 1.1999E+01 6.6232E+00 -1.8396E+01 H1 5981 1.008000 0.423800 1.1687E+01 7.4953E+00 -1.8773E+01 H2 5982 1.008000 0.423800 1.2134E+01 6.7160E+00 -1.7409E+01 O6 5983 15.999400 -0.847600 1.1065E+01 5.1929E+00 1.5832E+01 H1 5984 1.008000 0.423800 1.0965E+01 6.1807E+00 1.5712E+01 H2 5985 1.008000 0.423800 1.1856E+01 5.0065E+00 1.6415E+01 O6 5986 15.999400 -0.847600 -6.1515E+00 -5.8609E+00 -5.3308E+00 H1 5987 1.008000 0.423800 -6.9836E+00 -6.1870E+00 -5.7796E+00 H2 5988 1.008000 0.423800 -6.0172E+00 -4.8925E+00 -5.5408E+00 O6 5989 15.999400 -0.847600 1.4115E+01 5.4572E+00 -1.9315E+01 H1 5990 1.008000 0.423800 1.3283E+01 5.9053E+00 -1.8986E+01 H2 5991 1.008000 0.423800 1.4795E+01 5.4382E+00 -1.8582E+01 O6 5992 15.999400 -0.847600 -4.1260E+00 -1.0224E+01 -7.2728E+00 H1 5993 1.008000 0.423800 -4.5635E+00 -1.0938E+01 -7.8193E+00 H2 5994 1.008000 0.423800 -4.6513E+00 -1.0077E+01 -6.4346E+00 O6 5995 15.999400 -0.847600 1.0190E+01 1.3577E+01 5.3454E-01 H1 5996 1.008000 0.423800 1.0513E+01 1.4019E+01 1.3717E+00 H2 5997 1.008000 0.423800 1.0843E+01 1.3747E+01 -2.0424E-01 O6 5998 15.999400 -0.847600 -1.2379E+01 3.8890E+00 -8.2086E+00 H1 5999 1.008000 0.423800 -1.3343E+01 3.6298E+00 -8.2686E+00 H2 6000 1.008000 0.423800 -1.2269E+01 4.6086E+00 -7.5228E+00 O6 6001 15.999400 -0.847600 1.8190E+00 1.4745E+01 1.5852E+01 H1 6002 1.008000 0.423800 1.9070E+00 1.5661E+01 1.6241E+01 H2 6003 1.008000 0.423800 1.3128E+00 1.4796E+01 1.4991E+01 O6 6004 15.999400 -0.847600 -1.4038E+01 -6.3362E+00 1.0628E+01 H1 6005 1.008000 0.423800 -1.3536E+01 -5.9848E+00 1.1419E+01 H2 6006 1.008000 0.423800 -1.3390E+01 -6.6594E+00 9.9387E+00