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Talk:Mod:Hunt Research Group/HISTORY CuSO4 nH2O

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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+G01
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
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O6             190   15.999400   -0.847600
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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
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H1            3191    1.008000    0.423800
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O6            4219   15.999400   -0.847600
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O6            4225   15.999400   -0.847600
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O6            4246   15.999400   -0.847600
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H1            4247    1.008000    0.423800
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O6            4249   15.999400   -0.847600
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H1            4250    1.008000    0.423800
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O6            4252   15.999400   -0.847600
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H1            4253    1.008000    0.423800
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O6            4255   15.999400   -0.847600
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H1            4256    1.008000    0.423800
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H1            4259    1.008000    0.423800
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H1            4262    1.008000    0.423800
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O6            4264   15.999400   -0.847600
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H1            4265    1.008000    0.423800
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O6            4267   15.999400   -0.847600
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H1            4268    1.008000    0.423800
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H1            4274    1.008000    0.423800
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O6            4294   15.999400   -0.847600
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H1            4307    1.008000    0.423800
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O6            4309   15.999400   -0.847600
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H1            4310    1.008000    0.423800
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H1            5990    1.008000    0.423800
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H2            5991    1.008000    0.423800
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O6            5992   15.999400   -0.847600
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H1            5993    1.008000    0.423800
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H2            5994    1.008000    0.423800
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O6            5995   15.999400   -0.847600
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H1            5996    1.008000    0.423800
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H2            5997    1.008000    0.423800
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O6            5998   15.999400   -0.847600
  1.7019E+01  1.7263E+01 -6.2338E+00
H1            5999    1.008000    0.423800
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H2            6000    1.008000    0.423800
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O6            6001   15.999400   -0.847600
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H1            6002    1.008000    0.423800
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H2            6003    1.008000    0.423800
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O6            6004   15.999400   -0.847600
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H1            6005    1.008000    0.423800
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H2            6006    1.008000    0.423800
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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
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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
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O6              10   15.999400   -0.847600
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H1              11    1.008000    0.423800
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H2              12    1.008000    0.423800
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O6              13   15.999400   -0.847600
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H1              14    1.008000    0.423800
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H2              15    1.008000    0.423800
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O6              16   15.999400   -0.847600
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H1              17    1.008000    0.423800
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H2              18    1.008000    0.423800
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O6              19   15.999400   -0.847600
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H1              20    1.008000    0.423800
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H2              21    1.008000    0.423800
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O6              22   15.999400   -0.847600
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H1              23    1.008000    0.423800
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H2              24    1.008000    0.423800
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O6              25   15.999400   -0.847600
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H1              26    1.008000    0.423800
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H2              27    1.008000    0.423800
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O6              28   15.999400   -0.847600
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H1              29    1.008000    0.423800
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H2              30    1.008000    0.423800
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O6              31   15.999400   -0.847600
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H1              32    1.008000    0.423800
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H2              33    1.008000    0.423800
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O6              34   15.999400   -0.847600
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H1              35    1.008000    0.423800
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H2              36    1.008000    0.423800
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O6              37   15.999400   -0.847600
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H1              38    1.008000    0.423800
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H2              39    1.008000    0.423800
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O6              40   15.999400   -0.847600
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H1              41    1.008000    0.423800
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H2              42    1.008000    0.423800
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O6              43   15.999400   -0.847600
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H1              44    1.008000    0.423800
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H2              45    1.008000    0.423800
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O6              46   15.999400   -0.847600
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H1              47    1.008000    0.423800
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H2              48    1.008000    0.423800
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O6              49   15.999400   -0.847600
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H1              50    1.008000    0.423800
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H2              51    1.008000    0.423800
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O6              52   15.999400   -0.847600
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H1              53    1.008000    0.423800
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H2              54    1.008000    0.423800
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O6              55   15.999400   -0.847600
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H1              56    1.008000    0.423800
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H2              57    1.008000    0.423800
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O6              58   15.999400   -0.847600
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H1              59    1.008000    0.423800
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H2              60    1.008000    0.423800
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O6              61   15.999400   -0.847600
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H1              62    1.008000    0.423800
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H2              63    1.008000    0.423800
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O6              64   15.999400   -0.847600
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H1              65    1.008000    0.423800
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H2              66    1.008000    0.423800
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O6              67   15.999400   -0.847600
  8.1352E-01  1.6930E+01  5.2514E+00
H1              68    1.008000    0.423800
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H2              69    1.008000    0.423800
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O6              70   15.999400   -0.847600
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H1              71    1.008000    0.423800
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H2              72    1.008000    0.423800
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O6              73   15.999400   -0.847600
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H1              74    1.008000    0.423800
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H2              75    1.008000    0.423800
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O6              76   15.999400   -0.847600
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H1              77    1.008000    0.423800
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H2              78    1.008000    0.423800
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O6              79   15.999400   -0.847600
  2.5900E+00 -6.7505E+00  1.0020E+01
H1              80    1.008000    0.423800
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H2              81    1.008000    0.423800
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O6              82   15.999400   -0.847600
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H1              83    1.008000    0.423800
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H2              84    1.008000    0.423800
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O6              85   15.999400   -0.847600
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H1              86    1.008000    0.423800
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H2              87    1.008000    0.423800
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O6              88   15.999400   -0.847600
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H1              89    1.008000    0.423800
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H2              90    1.008000    0.423800
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O6              91   15.999400   -0.847600
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H1              92    1.008000    0.423800
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H2              93    1.008000    0.423800
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O6              94   15.999400   -0.847600
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H1              95    1.008000    0.423800
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H2              96    1.008000    0.423800
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O6              97   15.999400   -0.847600
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H1              98    1.008000    0.423800
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H2              99    1.008000    0.423800
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O6             100   15.999400   -0.847600
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H1             101    1.008000    0.423800
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H2             102    1.008000    0.423800
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O6             103   15.999400   -0.847600
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H1             104    1.008000    0.423800
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H2             105    1.008000    0.423800
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O6             106   15.999400   -0.847600
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H1             107    1.008000    0.423800
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H2             108    1.008000    0.423800
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O6             109   15.999400   -0.847600
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H1             110    1.008000    0.423800
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H2             111    1.008000    0.423800
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O6             112   15.999400   -0.847600
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H1             113    1.008000    0.423800
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H2             114    1.008000    0.423800
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O6             115   15.999400   -0.847600
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H1             116    1.008000    0.423800
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H2             117    1.008000    0.423800
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O6             118   15.999400   -0.847600
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H1             119    1.008000    0.423800
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H2             120    1.008000    0.423800
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O6             121   15.999400   -0.847600
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H1             122    1.008000    0.423800
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H2             123    1.008000    0.423800
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O6             124   15.999400   -0.847600
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H1             125    1.008000    0.423800
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H2             126    1.008000    0.423800
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O6             127   15.999400   -0.847600
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H1             128    1.008000    0.423800
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H2             129    1.008000    0.423800
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O6             130   15.999400   -0.847600
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H1             131    1.008000    0.423800
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H2             132    1.008000    0.423800
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O6             133   15.999400   -0.847600
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H1             134    1.008000    0.423800
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H2             135    1.008000    0.423800
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O6             136   15.999400   -0.847600
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H1             137    1.008000    0.423800
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H2             138    1.008000    0.423800
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O6             139   15.999400   -0.847600
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H1             140    1.008000    0.423800
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H2             141    1.008000    0.423800
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O6             142   15.999400   -0.847600
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H1             143    1.008000    0.423800
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H2             144    1.008000    0.423800
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O6             145   15.999400   -0.847600
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H1             146    1.008000    0.423800
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H2             147    1.008000    0.423800
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O6             148   15.999400   -0.847600
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H1             149    1.008000    0.423800
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H2             150    1.008000    0.423800
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O6             151   15.999400   -0.847600
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H1             152    1.008000    0.423800
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H2             153    1.008000    0.423800
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O6             154   15.999400   -0.847600
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H1             155    1.008000    0.423800
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H2             156    1.008000    0.423800
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O6             157   15.999400   -0.847600
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H1             158    1.008000    0.423800
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H2             159    1.008000    0.423800
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O6             160   15.999400   -0.847600
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H1             161    1.008000    0.423800
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H2             162    1.008000    0.423800
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O6             163   15.999400   -0.847600
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H1             164    1.008000    0.423800
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H2             165    1.008000    0.423800
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O6             166   15.999400   -0.847600
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H1             167    1.008000    0.423800
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H2             168    1.008000    0.423800
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O6             169   15.999400   -0.847600
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H1             170    1.008000    0.423800
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H2             171    1.008000    0.423800
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O6             172   15.999400   -0.847600
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H1             173    1.008000    0.423800
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 -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
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H1            3308    1.008000    0.423800
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O6            3310   15.999400   -0.847600
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H1            3311    1.008000    0.423800
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O6            3313   15.999400   -0.847600
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H1            3314    1.008000    0.423800
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H1            3359    1.008000    0.423800
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H2            3360    1.008000    0.423800
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O6            3361   15.999400   -0.847600
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O6            5974   15.999400   -0.847600
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H1            5975    1.008000    0.423800
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H2            5976    1.008000    0.423800
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O6            5977   15.999400   -0.847600
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H1            5978    1.008000    0.423800
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H2            5979    1.008000    0.423800
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O6            5980   15.999400   -0.847600
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H1            5981    1.008000    0.423800
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H2            5982    1.008000    0.423800
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O6            5983   15.999400   -0.847600
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H1            5984    1.008000    0.423800
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H2            5985    1.008000    0.423800
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O6            5986   15.999400   -0.847600
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H1            5987    1.008000    0.423800
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H2            5988    1.008000    0.423800
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O6            5989   15.999400   -0.847600
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H1            5990    1.008000    0.423800
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H2            5991    1.008000    0.423800
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O6            5992   15.999400   -0.847600
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H1            5993    1.008000    0.423800
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H2            5994    1.008000    0.423800
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O6            5995   15.999400   -0.847600
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H1            5996    1.008000    0.423800
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H2            5997    1.008000    0.423800
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O6            5998   15.999400   -0.847600
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H1            5999    1.008000    0.423800
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H2            6000    1.008000    0.423800
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O6            6001   15.999400   -0.847600
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H1            6002    1.008000    0.423800
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H2            6003    1.008000    0.423800
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O6            6004   15.999400   -0.847600
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H1            6005    1.008000    0.423800
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H2            6006    1.008000    0.423800
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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
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O3               4   15.999400   -1.000000
 -1.2265E+01  1.2554E+01  2.7552E+00
O4               5   15.999400   -1.000000
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CU               6   63.465000    2.000000
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O6               7   15.999400   -0.847600
  1.2780E+01  7.7014E+00  1.4216E+01
H1               8    1.008000    0.423800
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H2               9    1.008000    0.423800
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O6              10   15.999400   -0.847600
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H1              11    1.008000    0.423800
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H2              12    1.008000    0.423800
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O6              13   15.999400   -0.847600
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H1              14    1.008000    0.423800
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H2              15    1.008000    0.423800
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O6              16   15.999400   -0.847600
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H1              17    1.008000    0.423800
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H2              18    1.008000    0.423800
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O6              19   15.999400   -0.847600
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H1              20    1.008000    0.423800
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H2              21    1.008000    0.423800
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O6              22   15.999400   -0.847600
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H1              23    1.008000    0.423800
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H2              24    1.008000    0.423800
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O6              25   15.999400   -0.847600
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H1              26    1.008000    0.423800
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H2              27    1.008000    0.423800
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O6              28   15.999400   -0.847600
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H1              29    1.008000    0.423800
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H2              30    1.008000    0.423800
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O6              31   15.999400   -0.847600
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H1              32    1.008000    0.423800
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H2              33    1.008000    0.423800
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O6              34   15.999400   -0.847600
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H1              35    1.008000    0.423800
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H2              36    1.008000    0.423800
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O6              37   15.999400   -0.847600
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H1              38    1.008000    0.423800
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H2              39    1.008000    0.423800
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O6              40   15.999400   -0.847600
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H1              41    1.008000    0.423800
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H2              42    1.008000    0.423800
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O6              43   15.999400   -0.847600
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H1              44    1.008000    0.423800
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H2              45    1.008000    0.423800
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O6              46   15.999400   -0.847600
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H1              47    1.008000    0.423800
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H2              48    1.008000    0.423800
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O6              49   15.999400   -0.847600
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H1              50    1.008000    0.423800
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H2              51    1.008000    0.423800
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O6              52   15.999400   -0.847600
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H1              53    1.008000    0.423800
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H2              54    1.008000    0.423800
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O6              55   15.999400   -0.847600
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H1              56    1.008000    0.423800
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H2              57    1.008000    0.423800
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O6              58   15.999400   -0.847600
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H1              59    1.008000    0.423800
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H2              60    1.008000    0.423800
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O6              61   15.999400   -0.847600
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H1              62    1.008000    0.423800
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H2              63    1.008000    0.423800
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O6              64   15.999400   -0.847600
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H1              65    1.008000    0.423800
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H2              66    1.008000    0.423800
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O6              67   15.999400   -0.847600
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H1              68    1.008000    0.423800
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H2              69    1.008000    0.423800
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O6              70   15.999400   -0.847600
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H1              71    1.008000    0.423800
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H2              72    1.008000    0.423800
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O6              73   15.999400   -0.847600
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H1              74    1.008000    0.423800
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H2              75    1.008000    0.423800
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O6              76   15.999400   -0.847600
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H1              77    1.008000    0.423800
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H2              78    1.008000    0.423800
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O6              79   15.999400   -0.847600
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H1              80    1.008000    0.423800
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H2              81    1.008000    0.423800
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O6              82   15.999400   -0.847600
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H1              83    1.008000    0.423800
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H2              84    1.008000    0.423800
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O6              85   15.999400   -0.847600
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H1              86    1.008000    0.423800
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H2              87    1.008000    0.423800
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O6              88   15.999400   -0.847600
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H1              89    1.008000    0.423800
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H2              90    1.008000    0.423800
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O6              91   15.999400   -0.847600
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H1              92    1.008000    0.423800
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H2              93    1.008000    0.423800
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O6              94   15.999400   -0.847600
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H1              95    1.008000    0.423800
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H2              96    1.008000    0.423800
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O6              97   15.999400   -0.847600
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H1              98    1.008000    0.423800
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H2              99    1.008000    0.423800
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O6             100   15.999400   -0.847600
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H1             101    1.008000    0.423800
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H2             102    1.008000    0.423800
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O6             103   15.999400   -0.847600
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H1             104    1.008000    0.423800
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H2             105    1.008000    0.423800
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O6             106   15.999400   -0.847600
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H1             107    1.008000    0.423800
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H2             108    1.008000    0.423800
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O6             109   15.999400   -0.847600
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H1             110    1.008000    0.423800
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H2             111    1.008000    0.423800
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O6             112   15.999400   -0.847600
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H1             113    1.008000    0.423800
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H2             114    1.008000    0.423800
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O6             115   15.999400   -0.847600
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H1             116    1.008000    0.423800
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H2             117    1.008000    0.423800
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O6             118   15.999400   -0.847600
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H1             119    1.008000    0.423800
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H2             120    1.008000    0.423800
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O6             121   15.999400   -0.847600
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H1             122    1.008000    0.423800
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H2             123    1.008000    0.423800
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O6             124   15.999400   -0.847600
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H1             125    1.008000    0.423800
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H2             126    1.008000    0.423800
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O6             127   15.999400   -0.847600
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H1             128    1.008000    0.423800
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H2             129    1.008000    0.423800
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O6             130   15.999400   -0.847600
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H1             131    1.008000    0.423800
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H2             132    1.008000    0.423800
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O6             133   15.999400   -0.847600
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H1             134    1.008000    0.423800
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H2             135    1.008000    0.423800
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O6             136   15.999400   -0.847600
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H1             137    1.008000    0.423800
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H2             138    1.008000    0.423800
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O6             139   15.999400   -0.847600
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H1             140    1.008000    0.423800
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H2             141    1.008000    0.423800
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O6             142   15.999400   -0.847600
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H1             143    1.008000    0.423800
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O6             145   15.999400   -0.847600
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H1             146    1.008000    0.423800
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H2             147    1.008000    0.423800
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O6             148   15.999400   -0.847600
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H1             149    1.008000    0.423800
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H2             150    1.008000    0.423800
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O6             151   15.999400   -0.847600
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H1             152    1.008000    0.423800
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H2             153    1.008000    0.423800
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O6             154   15.999400   -0.847600
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H1             155    1.008000    0.423800
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  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
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H1            2042    1.008000    0.423800
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H2            2043    1.008000    0.423800
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O6            2044   15.999400   -0.847600
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H1            2045    1.008000    0.423800
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H2            2046    1.008000    0.423800
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O6            2047   15.999400   -0.847600
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H1            2048    1.008000    0.423800
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H2            2049    1.008000    0.423800
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O6            2050   15.999400   -0.847600
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H1            2051    1.008000    0.423800
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O6            2053   15.999400   -0.847600
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H1            2054    1.008000    0.423800
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O6            2056   15.999400   -0.847600
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H1            2057    1.008000    0.423800
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O6            2059   15.999400   -0.847600
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H1            2060    1.008000    0.423800
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H2            2061    1.008000    0.423800
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O6            2062   15.999400   -0.847600
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H1            2063    1.008000    0.423800
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O6            2065   15.999400   -0.847600
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H1            2099    1.008000    0.423800
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O6            2749   15.999400   -0.847600
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H1            2783    1.008000    0.423800
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O6            2785   15.999400   -0.847600
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H1            5207    1.008000    0.423800
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O6            5209   15.999400   -0.847600
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H1            5210    1.008000    0.423800
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H2            5958    1.008000    0.423800
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O6            5959   15.999400   -0.847600
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H1            5960    1.008000    0.423800
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H2            5961    1.008000    0.423800
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O6            5962   15.999400   -0.847600
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H1            5963    1.008000    0.423800
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H2            5964    1.008000    0.423800
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O6            5965   15.999400   -0.847600
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H1            5966    1.008000    0.423800
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H2            5967    1.008000    0.423800
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O6            5968   15.999400   -0.847600
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H1            5969    1.008000    0.423800
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H2            5970    1.008000    0.423800
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O6            5971   15.999400   -0.847600
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H1            5972    1.008000    0.423800
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H2            5973    1.008000    0.423800
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O6            5974   15.999400   -0.847600
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H1            5975    1.008000    0.423800
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H2            5976    1.008000    0.423800
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O6            5977   15.999400   -0.847600
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H1            5978    1.008000    0.423800
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H2            5979    1.008000    0.423800
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O6            5980   15.999400   -0.847600
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H1            5981    1.008000    0.423800
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O6            5983   15.999400   -0.847600
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H1            5984    1.008000    0.423800
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O6            5986   15.999400   -0.847600
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H1            5987    1.008000    0.423800
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O6            5989   15.999400   -0.847600
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H1            5990    1.008000    0.423800
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O6            5992   15.999400   -0.847600
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H1            5993    1.008000    0.423800
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H2            5994    1.008000    0.423800
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O6            5995   15.999400   -0.847600
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H1            5996    1.008000    0.423800
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H2            5997    1.008000    0.423800
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O6            5998   15.999400   -0.847600
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H1            5999    1.008000    0.423800
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H2            6000    1.008000    0.423800
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O6            6001   15.999400   -0.847600
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H1            6002    1.008000    0.423800
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H2            6003    1.008000    0.423800
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O6            6004   15.999400   -0.847600
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H1            6005    1.008000    0.423800
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H2            6006    1.008000    0.423800
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timestep     30001      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
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O1               2   15.999400   -1.000000
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O2               3   15.999400   -1.000000
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O3               4   15.999400   -1.000000
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O4               5   15.999400   -1.000000
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CU               6   63.465000    2.000000
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O6               7   15.999400   -0.847600
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H1               8    1.008000    0.423800
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H2               9    1.008000    0.423800
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O6              10   15.999400   -0.847600
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H1              11    1.008000    0.423800
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H2              12    1.008000    0.423800
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O6              13   15.999400   -0.847600
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H1              14    1.008000    0.423800
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H2              15    1.008000    0.423800
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O6              16   15.999400   -0.847600
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H1              17    1.008000    0.423800
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H2              18    1.008000    0.423800
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O6              19   15.999400   -0.847600
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H1              20    1.008000    0.423800
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H2              21    1.008000    0.423800
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O6              22   15.999400   -0.847600
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H1              23    1.008000    0.423800
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H2              24    1.008000    0.423800
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O6              25   15.999400   -0.847600
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H1              26    1.008000    0.423800
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H2              27    1.008000    0.423800
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O6              28   15.999400   -0.847600
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H1              29    1.008000    0.423800
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H2              30    1.008000    0.423800
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O6              31   15.999400   -0.847600
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H1              32    1.008000    0.423800
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H2              33    1.008000    0.423800
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O6              34   15.999400   -0.847600
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H1              35    1.008000    0.423800
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H2              36    1.008000    0.423800
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O6              37   15.999400   -0.847600
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H1              38    1.008000    0.423800
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H2              39    1.008000    0.423800
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O6              40   15.999400   -0.847600
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H1              41    1.008000    0.423800
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H2              42    1.008000    0.423800
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O6              43   15.999400   -0.847600
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H1              44    1.008000    0.423800
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H2              45    1.008000    0.423800
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O6              46   15.999400   -0.847600
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H1              47    1.008000    0.423800
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H2              48    1.008000    0.423800
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O6              49   15.999400   -0.847600
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H1              50    1.008000    0.423800
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H2              51    1.008000    0.423800
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O6              52   15.999400   -0.847600
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H1              53    1.008000    0.423800
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H2              54    1.008000    0.423800
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O6              55   15.999400   -0.847600
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H1              56    1.008000    0.423800
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H2              57    1.008000    0.423800
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O6              58   15.999400   -0.847600
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H1              59    1.008000    0.423800
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H2              60    1.008000    0.423800
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O6              61   15.999400   -0.847600
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H1              62    1.008000    0.423800
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H2              63    1.008000    0.423800
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O6              64   15.999400   -0.847600
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H1              65    1.008000    0.423800
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H2              66    1.008000    0.423800
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O6              67   15.999400   -0.847600
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H1              68    1.008000    0.423800
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H2              69    1.008000    0.423800
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O6              70   15.999400   -0.847600
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H1              71    1.008000    0.423800
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H2              72    1.008000    0.423800
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O6              73   15.999400   -0.847600
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H1              74    1.008000    0.423800
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H2              75    1.008000    0.423800
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O6              76   15.999400   -0.847600
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H1              77    1.008000    0.423800
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H2              78    1.008000    0.423800
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O6              79   15.999400   -0.847600
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H1              80    1.008000    0.423800
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H2              81    1.008000    0.423800
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O6              82   15.999400   -0.847600
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H1              83    1.008000    0.423800
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H2              84    1.008000    0.423800
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O6              85   15.999400   -0.847600
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H1              86    1.008000    0.423800
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H2              87    1.008000    0.423800
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O6              88   15.999400   -0.847600
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H1              89    1.008000    0.423800
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H2              90    1.008000    0.423800
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O6              91   15.999400   -0.847600
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H1              92    1.008000    0.423800
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H2              93    1.008000    0.423800
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O6              94   15.999400   -0.847600
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H1              95    1.008000    0.423800
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H2              96    1.008000    0.423800
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O6              97   15.999400   -0.847600
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H1              98    1.008000    0.423800
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H2              99    1.008000    0.423800
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O6             100   15.999400   -0.847600
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H1             101    1.008000    0.423800
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H2             102    1.008000    0.423800
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O6             103   15.999400   -0.847600
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H1             104    1.008000    0.423800
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H2             105    1.008000    0.423800
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O6             106   15.999400   -0.847600
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H1             107    1.008000    0.423800
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H2             108    1.008000    0.423800
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O6             109   15.999400   -0.847600
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H1             110    1.008000    0.423800
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H2             111    1.008000    0.423800
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O6             112   15.999400   -0.847600
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H1             113    1.008000    0.423800
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H2             114    1.008000    0.423800
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O6             115   15.999400   -0.847600
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H1             116    1.008000    0.423800
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H2             117    1.008000    0.423800
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O6             118   15.999400   -0.847600
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H1             119    1.008000    0.423800
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H2             120    1.008000    0.423800
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O6             121   15.999400   -0.847600
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H1             122    1.008000    0.423800
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H2             123    1.008000    0.423800
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O6             124   15.999400   -0.847600
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H1             125    1.008000    0.423800
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H2             126    1.008000    0.423800
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O6             127   15.999400   -0.847600
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H1             128    1.008000    0.423800
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H2             129    1.008000    0.423800
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O6             130   15.999400   -0.847600
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H1             131    1.008000    0.423800
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H2             132    1.008000    0.423800
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O6             133   15.999400   -0.847600
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H1             134    1.008000    0.423800
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H2             135    1.008000    0.423800
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O6             136   15.999400   -0.847600
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H1             137    1.008000    0.423800
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H2             138    1.008000    0.423800
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O6             139   15.999400   -0.847600
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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
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O6            2029   15.999400   -0.847600
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H1            2030    1.008000    0.423800
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H2            2031    1.008000    0.423800
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O6            2032   15.999400   -0.847600
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H1            2033    1.008000    0.423800
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H2            2034    1.008000    0.423800
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O6            2035   15.999400   -0.847600
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H1            2036    1.008000    0.423800
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H2            2037    1.008000    0.423800
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O6            2038   15.999400   -0.847600
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H1            2039    1.008000    0.423800
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H2            2040    1.008000    0.423800
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O6            2041   15.999400   -0.847600
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H1            2042    1.008000    0.423800
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H2            2043    1.008000    0.423800
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O6            2044   15.999400   -0.847600
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H1            2045    1.008000    0.423800
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H2            2046    1.008000    0.423800
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O6            2047   15.999400   -0.847600
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H1            2048    1.008000    0.423800
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H2            2049    1.008000    0.423800
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O6            2050   15.999400   -0.847600
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H1            2051    1.008000    0.423800
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H2            2052    1.008000    0.423800
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O6            2053   15.999400   -0.847600
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H1            2054    1.008000    0.423800
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H2            2055    1.008000    0.423800
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O6            2056   15.999400   -0.847600
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H1            2057    1.008000    0.423800
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H2            2058    1.008000    0.423800
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O6            2059   15.999400   -0.847600
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H1            2060    1.008000    0.423800
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H2            2061    1.008000    0.423800
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O6            2062   15.999400   -0.847600
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H1            2063    1.008000    0.423800
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H2            2064    1.008000    0.423800
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O6            2065   15.999400   -0.847600
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H1            2066    1.008000    0.423800
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H2            2067    1.008000    0.423800
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O6            2068   15.999400   -0.847600
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H1            2069    1.008000    0.423800
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H2            2070    1.008000    0.423800
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O6            2071   15.999400   -0.847600
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H1            2072    1.008000    0.423800
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H2            2073    1.008000    0.423800
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O6            2074   15.999400   -0.847600
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H1            2075    1.008000    0.423800
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H2            2076    1.008000    0.423800
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O6            2077   15.999400   -0.847600
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H1            2078    1.008000    0.423800
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H2            2079    1.008000    0.423800
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O6            2080   15.999400   -0.847600
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H1            2081    1.008000    0.423800
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H2            2082    1.008000    0.423800
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O6            2083   15.999400   -0.847600
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H1            2084    1.008000    0.423800
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H2            2085    1.008000    0.423800
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O6            2086   15.999400   -0.847600
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H1            2087    1.008000    0.423800
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H2            2088    1.008000    0.423800
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O6            2089   15.999400   -0.847600
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H1            2090    1.008000    0.423800
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H2            2091    1.008000    0.423800
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O6            2092   15.999400   -0.847600
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H1            2093    1.008000    0.423800
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H2            2094    1.008000    0.423800
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O6            2095   15.999400   -0.847600
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H1            2096    1.008000    0.423800
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H2            2097    1.008000    0.423800
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O6            2098   15.999400   -0.847600
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H1            2099    1.008000    0.423800
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H2            2100    1.008000    0.423800
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O6            2101   15.999400   -0.847600
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H1            2102    1.008000    0.423800
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H2            2103    1.008000    0.423800
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O6            2104   15.999400   -0.847600
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H1            2105    1.008000    0.423800
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H2            2106    1.008000    0.423800
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O6            2107   15.999400   -0.847600
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H1            2108    1.008000    0.423800
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H2            2109    1.008000    0.423800
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O6            2110   15.999400   -0.847600
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H1            2111    1.008000    0.423800
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H2            2112    1.008000    0.423800
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O6            2113   15.999400   -0.847600
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H1            2114    1.008000    0.423800
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H2            2115    1.008000    0.423800
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O6            2116   15.999400   -0.847600
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H1            2117    1.008000    0.423800
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H2            2118    1.008000    0.423800
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O6            2119   15.999400   -0.847600
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H1            2120    1.008000    0.423800
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H2            2121    1.008000    0.423800
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O6            2122   15.999400   -0.847600
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H1            2123    1.008000    0.423800
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H2            2124    1.008000    0.423800
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O6            2125   15.999400   -0.847600
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H1            2126    1.008000    0.423800
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H2            2127    1.008000    0.423800
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O6            2128   15.999400   -0.847600
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H1            2129    1.008000    0.423800
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H2            2130    1.008000    0.423800
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O6            2131   15.999400   -0.847600
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H1            2132    1.008000    0.423800
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O6            2134   15.999400   -0.847600
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H1            2135    1.008000    0.423800
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O6            2137   15.999400   -0.847600
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H1            2138    1.008000    0.423800
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O6            2140   15.999400   -0.847600
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H1            2141    1.008000    0.423800
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O6            2143   15.999400   -0.847600
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H1            2144    1.008000    0.423800
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O6            2146   15.999400   -0.847600
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H1            2147    1.008000    0.423800
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O6            2149   15.999400   -0.847600
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H1            2150    1.008000    0.423800
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O6            2152   15.999400   -0.847600
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H1            2153    1.008000    0.423800
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O6            2155   15.999400   -0.847600
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O6            2158   15.999400   -0.847600
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H1            2159    1.008000    0.423800
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H1            2162    1.008000    0.423800
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O6            2164   15.999400   -0.847600
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H1            2165    1.008000    0.423800
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H1            2168    1.008000    0.423800
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O6            2173   15.999400   -0.847600
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H1            2174    1.008000    0.423800
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H1            2204    1.008000    0.423800
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O6            2206   15.999400   -0.847600
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H1            2207    1.008000    0.423800
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O6            2209   15.999400   -0.847600
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H1            2210    1.008000    0.423800
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O6            3220   15.999400   -0.847600
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H1            3221    1.008000    0.423800
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O6            3226   15.999400   -0.847600
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H1            3227    1.008000    0.423800
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O6            3232   15.999400   -0.847600
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H1            3233    1.008000    0.423800
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O6            3235   15.999400   -0.847600
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O6            3238   15.999400   -0.847600
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H1            3239    1.008000    0.423800
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O6            3241   15.999400   -0.847600
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H1            3242    1.008000    0.423800
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O6            3244   15.999400   -0.847600
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O6            3247   15.999400   -0.847600
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H1            3251    1.008000    0.423800
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H1            3275    1.008000    0.423800
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H1            3281    1.008000    0.423800
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O6            3289   15.999400   -0.847600
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H1            3290    1.008000    0.423800
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H2            3291    1.008000    0.423800
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O6            3292   15.999400   -0.847600
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H1            3293    1.008000    0.423800
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H2            3294    1.008000    0.423800
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O6            3295   15.999400   -0.847600
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H1            3296    1.008000    0.423800
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H2            3297    1.008000    0.423800
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O6            3298   15.999400   -0.847600
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H1            3299    1.008000    0.423800
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O6            3301   15.999400   -0.847600
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H1            3302    1.008000    0.423800
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O6            3304   15.999400   -0.847600
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H1            3305    1.008000    0.423800
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H2            3306    1.008000    0.423800
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O6            3307   15.999400   -0.847600
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H1            3308    1.008000    0.423800
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H2            3309    1.008000    0.423800
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O6            3310   15.999400   -0.847600
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H1            3311    1.008000    0.423800
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H2            3312    1.008000    0.423800
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O6            3313   15.999400   -0.847600
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H1            3314    1.008000    0.423800
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H2            3315    1.008000    0.423800
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O6            3316   15.999400   -0.847600
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H1            3317    1.008000    0.423800
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H2            3318    1.008000    0.423800
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O6            3319   15.999400   -0.847600
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H1            3320    1.008000    0.423800
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H2            3321    1.008000    0.423800
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H1            3323    1.008000    0.423800
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H2            3324    1.008000    0.423800
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O6            3325   15.999400   -0.847600
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H1            3326    1.008000    0.423800
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H2            3327    1.008000    0.423800
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O6            3328   15.999400   -0.847600
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H1            3329    1.008000    0.423800
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O6            5380   15.999400   -0.847600
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H1            5993    1.008000    0.423800
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H1            5999    1.008000    0.423800
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H2            6000    1.008000    0.423800
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H1            6002    1.008000    0.423800
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O6            6004   15.999400   -0.847600
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H1            6005    1.008000    0.423800
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