Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 7 20001020 4.246802 15.640196 -9.806708 2 6 20001001 4.700842 16.909177 -9.191782 3 6 20001002 3.640169 18.005171 -9.343341 4 8 20001024 3.922661 19.090745 -9.842494 5 6 20001001 6.065369 17.362540 -9.752998 6 6 20001001 7.227489 16.479962 -9.296419 7 16 20001026 7.540391 16.529334 -7.511501 8 6 20001001 8.705448 15.143848 -7.377429 9 1 20001029 4.004998 15.751994 -10.785533 10 1 20001029 4.932998 14.909536 -9.655476 11 1 20001029 3.400073 15.321424 -9.343382 12 1 20001038 4.821893 16.731597 -8.122982 13 1 20001034 6.026014 17.371103 -10.843423 14 1 20001034 6.284805 18.374574 -9.410061 15 1 20001035 7.027128 15.456290 -9.595981 16 1 20001035 8.133174 16.804142 -9.809429 17 1 20001035 9.581367 15.334318 -7.996968 18 1 20001035 9.014733 15.025857 -6.339035 19 1 20001035 8.224982 14.223041 -7.709075 20 7 20001014 2.401156 17.743239 -8.923630 21 6 20001001 1.238424 18.608761 -9.187096 22 6 20001002 0.171434 18.487969 -8.089760 23 8 20001024 -0.235534 19.504837 -7.523858 24 6 20001001 0.667228 18.366264 -10.607664 25 6 20001001 0.211652 16.941370 -10.987232 26 6 20001002 1.348232 15.921249 -10.865269 27 8 20001025 2.271344 15.927830 -11.709835 28 8 20001025 1.430198 15.251146 -9.811794 29 1 20001029 2.194555 16.795214 -8.613848 30 1 20001035 1.572135 19.647693 -9.156238 31 1 20001034 -0.184176 19.034661 -10.742421 32 1 20001034 1.424830 18.675343 -11.328959 33 1 20001034 -0.629067 16.647029 -10.356419 34 1 20001034 -0.149140 16.956848 -12.017984 35 7 20001014 -0.242757 17.253143 -7.778805 36 6 20001001 -1.059836 16.898619 -6.629431 37 6 20001002 -0.726144 15.441683 -6.295574 38 8 20001024 -1.455755 14.535069 -6.695202 39 6 20001001 -2.547684 17.133497 -6.948588 40 6 20001005 -3.472463 16.851531 -5.789968 41 7 20001015 -3.368722 17.383157 -4.520406 42 6 20001006 -4.581547 16.047519 -5.819588 43 6 20001008 -4.397574 16.904273 -3.797219 44 7 20001016 -5.154911 16.090774 -4.548135 45 1 20001029 0.131771 16.480926 -8.311435 46 1 20001035 -0.778748 17.528523 -5.783855 47 1 20001034 -2.686147 18.176489 -7.235324 48 1 20001034 -2.839537 16.516449 -7.800053 49 1 20001029 -2.652818 18.016950 -4.195181 50 1 20001039 -4.947489 15.488038 -6.667885 51 1 20001040 -4.586047 17.140477 -2.760434 52 7 20001014 0.421057 15.266487 -5.613781 53 6 20001001 1.184820 14.029376 -5.324157 54 6 20001002 0.892502 12.866376 -6.291022 55 8 20001024 -0.118774 12.173691 -6.147382 56 6 20001001 1.088204 13.576727 -3.843116 57 6 20001001 2.390722 12.892148 -3.413119 58 6 20001001 0.843477 14.720593 -2.845095 59 1 20001029 0.906689 16.115753 -5.354213 60 1 20001035 2.227322 14.301942 -5.479834 61 1 20001034 0.281860 12.856480 -3.721428 62 1 20001034 3.201936 13.619217 -3.361573 63 1 20001034 2.264341 12.428062 -2.435067 64 1 20001034 2.667543 12.119001 -4.124559 65 1 20001034 1.627078 15.472897 -2.942695 66 1 20001034 -0.123547 15.185422 -3.034140 67 1 20001034 0.849146 14.335958 -1.826023 68 7 20001014 1.764650 12.666210 -7.282775 69 6 20001001 1.610077 11.780332 -8.444412 70 6 20001002 1.336559 10.288307 -8.112531 71 8 20001024 0.200979 9.948476 -7.779505 72 6 20001001 2.813484 12.008938 -9.369056 73 1 20001029 2.514198 13.354684 -7.338510 74 1 20001035 0.731518 12.127871 -8.989509 75 1 20001034 3.740758 11.852341 -8.820332 76 1 20001034 2.768981 11.338955 -10.227757 77 1 20001034 2.801606 13.035823 -9.731912 78 7 20001014 2.303659 9.371158 -8.268450 79 6 20001001 2.183339 7.953571 -7.861440 80 6 20001002 3.551670 7.257058 -7.792141 81 8 20001024 3.938886 6.757086 -6.744519 82 6 20001001 1.198674 7.178671 -8.767900 83 6 20001003 0.503909 6.007820 -8.088904 84 6 20001003 -0.151845 6.191600 -6.854203 85 6 20001003 0.467500 4.742959 -8.707044 86 6 20001003 -0.812447 5.119895 -6.230513 87 6 20001003 -0.218438 3.677757 -8.095162 88 6 20001003 -0.851361 3.863068 -6.853606 89 1 20001029 3.223806 9.714796 -8.530945 90 1 20001035 1.795813 7.949617 -6.846288 91 1 20001034 0.410588 7.844776 -9.115236 92 1 20001034 1.721311 6.831316 -9.659465 93 1 20001033 -0.136502 7.154920 -6.365695 94 1 20001033 0.968921 4.587002 -9.651336 95 1 20001033 -1.280659 5.263281 -5.267136 96 1 20001033 -0.248429 2.712801 -8.576183 97 1 20001033 -1.363247 3.045647 -6.368517 98 7 20001014 4.288710 7.279347 -8.905894 99 6 20001001 5.741219 7.495326 -8.885854 100 6 20001002 6.023036 8.973473 -9.187381 101 8 20001024 5.084939 9.773571 -9.131969 102 1 20001029 3.817741 7.696530 -9.690669 103 1 20001035 6.142939 7.260791 -7.899792 104 1 20001035 6.234269 6.866168 -9.626393 105 7 20001014 7.264195 9.356441 -9.506778 106 6 20001001 7.789039 10.739904 -9.465487 107 6 20001002 7.885511 11.220526 -8.016268 108 8 20001024 8.975121 11.417125 -7.482813 109 6 20001001 7.020082 11.703869 -10.393265 110 8 20001022 7.313044 13.057243 -10.122398 111 1 20001029 7.968223 8.624950 -9.379421 112 1 20001035 8.815635 10.710442 -9.829718 113 1 20001035 7.286004 11.478851 -11.426370 114 1 20001035 5.945173 11.584997 -10.289343 115 1 20001031 6.764443 13.322554 -9.343289 116 7 20001014 6.745348 11.329468 -7.341930 117 6 20001001 6.661986 11.371433 -5.887645 118 6 20001002 6.699949 9.927920 -5.353824 119 8 20001024 5.714434 9.392888 -4.853824 120 6 20001001 5.415007 12.163764 -5.458985 121 6 20001001 5.523087 13.660952 -5.803635 122 6 20001002 4.976882 14.026350 -7.193094 123 8 20001025 3.862969 14.593486 -7.256991 124 8 20001025 5.638643 13.808885 -8.237522 125 1 20001029 5.902129 11.146319 -7.869244 126 1 20001035 7.537233 11.881590 -5.482762 127 1 20001034 4.515740 11.739566 -5.910083 128 1 20001034 5.325809 12.080709 -4.374930 129 1 20001034 4.949292 14.213725 -5.056271 130 1 20001034 6.559825 13.988317 -5.707428 131 7 20001014 7.854500 9.279465 -5.515898 132 6 20001001 8.125937 7.893331 -5.125098 133 6 20001002 8.353466 7.781293 -3.598040 134 8 20001024 9.433732 8.041621 -3.059350 135 6 20001001 9.296424 7.368428 -5.976466 136 6 20001002 8.823675 6.910830 -7.362739 137 8 20001025 9.058458 7.631961 -8.356010 138 8 20001025 8.193410 5.830372 -7.450762 139 1 20001029 8.595864 9.779490 -5.993537 140 1 20001035 7.253591 7.282215 -5.365560 141 1 20001034 10.062551 8.140573 -6.073876 142 1 20001034 9.755074 6.519564 -5.480984 143 7 20001014 7.278488 7.438401 -2.877098 144 6 20001001 7.149363 7.523280 -1.407405 145 6 20001002 8.070462 6.554383 -0.630068 146 8 20001024 8.145465 6.652841 0.595144 147 6 20001001 5.658231 7.393289 -0.969056 148 6 20001001 4.671644 8.198275 -1.846346 149 6 20001001 5.405087 7.807472 0.494670 150 6 20001001 4.871738 9.722709 -1.842539 151 1 20001029 6.432437 7.340841 -3.422223 152 1 20001035 7.474546 8.525099 -1.127055 153 1 20001034 5.375525 6.346090 -1.057688 154 1 20001034 4.738120 7.836119 -2.869596 155 1 20001034 3.654122 7.990860 -1.512827 156 1 20001034 5.802719 7.061588 1.180195 157 1 20001034 5.867345 8.773985 0.693942 158 1 20001034 4.335966 7.890422 0.689448 159 1 20001034 4.696277 10.129763 -0.847345 160 1 20001034 5.882150 9.974710 -2.163525 161 1 20001034 4.161162 10.178624 -2.532333 162 7 20001014 8.837827 5.655855 -1.266421 163 6 20001001 9.836360 4.832853 -0.555349 164 6 20001002 10.856054 5.642825 0.268163 165 8 20001024 11.362984 5.121216 1.263500 166 6 20001001 10.556163 3.823186 -1.460352 167 6 20001001 11.384900 4.430427 -2.601016 168 6 20001002 10.634127 4.425466 -3.929323 169 8 20001025 11.282538 4.170174 -4.968771 170 8 20001025 9.389709 4.589698 -3.933854 171 1 20001029 8.807024 5.601070 -2.285328 172 1 20001035 9.285894 4.239034 0.171989 173 1 20001034 11.234364 3.253217 -0.826280 174 1 20001034 9.835213 3.111712 -1.859394 175 1 20001034 11.702735 5.444151 -2.352591 176 1 20001034 12.282838 3.819711 -2.715096 177 7 20001014 11.106938 6.916318 -0.080272 178 6 20001001 11.759880 7.875985 0.817991 179 6 20001002 11.115579 7.875445 2.209472 180 8 20001024 11.797841 7.649927 3.205228 181 6 20001001 11.744833 9.305116 0.235758 182 6 20001002 12.130521 10.308422 1.322417 183 8 20001024 13.248467 10.297771 1.818102 184 7 20001014 11.196030 11.089114 1.818453 185 1 20001029 10.669468 7.244912 -0.935124 186 1 20001035 12.796140 7.575630 0.958265 187 1 20001034 12.458366 9.376037 -0.584324 188 1 20001034 10.751960 9.547024 -0.145147 189 1 20001029 10.229628 11.024721 1.534782 190 1 20001029 11.413391 11.630834 2.643407 191 7 20001014 9.834276 8.223958 2.268214 192 6 20001001 9.069057 8.439130 3.495645 193 6 20001002 8.779205 7.130090 4.207718 194 8 20001024 8.808421 7.101299 5.431107 195 6 20001001 7.782034 9.202252 3.180738 196 8 20001022 8.155626 10.461004 2.669684 197 6 20001001 6.875394 9.425261 4.389148 198 1 20001029 9.338584 8.334990 1.393606 199 1 20001035 9.661984 9.047453 4.176482 200 1 20001035 7.225323 8.655799 2.423431 201 1 20001031 8.654561 10.910931 3.395250 202 1 20001034 7.405827 9.980452 5.158864 203 1 20001034 6.000397 9.986975 4.078821 204 1 20001034 6.529864 8.474074 4.788814 205 7 20001014 8.548953 6.029179 3.486884 206 6 20001001 8.502752 4.697631 4.103302 207 6 20001002 9.798911 4.390156 4.881100 208 8 20001024 9.736834 3.944880 6.025882 209 6 20001001 8.134341 3.628627 3.062114 210 6 20001001 6.775601 3.859241 2.361981 211 6 20001001 6.438346 2.646062 1.500560 212 6 20001001 5.607138 4.095892 3.322544 213 1 20001029 8.510537 6.131069 2.476963 214 1 20001035 7.719464 4.704835 4.859528 215 1 20001034 8.920891 3.579530 2.309510 216 1 20001034 8.106496 2.665997 3.569767 217 1 20001034 6.849395 4.723029 1.706043 218 1 20001034 6.412369 1.744174 2.111270 219 1 20001034 5.466104 2.779801 1.028465 220 1 20001034 7.194685 2.542311 0.724782 221 1 20001034 5.737466 5.045171 3.839776 222 1 20001034 4.675740 4.158454 2.762318 223 1 20001034 5.532840 3.291038 4.048893 224 7 20001014 10.967071 4.724869 4.328533 225 6 20001001 12.239961 4.736658 5.055434 226 6 20001002 12.440452 6.010285 5.923613 227 8 20001024 13.524116 6.610543 5.902574 228 6 20001001 13.349495 4.572290 4.006614 229 1 20001029 10.969892 5.069298 3.375737 230 1 20001035 12.277637 3.873564 5.722162 231 1 20001034 13.140501 3.699499 3.390795 232 1 20001034 13.393521 5.453295 3.366090 233 1 20001034 14.310657 4.433011 4.502253 234 7 20001014 11.413245 6.471613 6.662122 235 6 20001001 11.467539 7.726031 7.452425 236 6 20001002 10.364929 7.915214 8.504113 237 8 20001024 10.686721 8.131131 9.665275 238 6 20001001 11.496346 8.942945 6.497196 239 6 20001001 12.583474 9.962842 6.872650 240 6 20001001 13.025006 10.803726 5.662038 241 6 20001001 14.252551 10.256634 4.921943 242 7 20001020 14.018711 8.916889 4.337092 243 1 20001029 10.550047 5.939380 6.616786 244 1 20001035 12.396376 7.703132 8.023198 245 1 20001034 11.669877 8.598764 5.485078 246 1 20001034 10.532363 9.452488 6.474900 247 1 20001034 12.177202 10.623316 7.640341 248 1 20001034 13.458820 9.460251 7.286251 249 1 20001034 12.198581 10.907578 4.958100 250 1 20001034 13.272171 11.804279 6.020563 251 1 20001038 14.492949 10.959434 4.118326 252 1 20001038 15.094666 10.223010 5.617003 253 1 20001029 13.193323 8.929542 3.740964 254 1 20001029 14.790939 8.613170 3.768818 255 1 20001029 13.832083 8.213371 5.051675 256 7 20001014 9.101620 7.914531 8.070900 257 6 20001001 7.974047 8.670341 8.639317 258 6 20001002 8.308218 10.165053 8.804148 259 8 20001024 8.592726 10.651449 9.893271 260 6 20001001 7.408987 7.996055 9.906189 261 6 20001001 6.290171 6.982896 9.614788 262 16 20001026 6.673961 5.569287 8.535533 263 6 20001001 6.065098 6.177139 6.936908 264 1 20001029 9.004958 7.624569 7.107718 265 1 20001035 7.170128 8.656112 7.905804 266 1 20001034 8.208164 7.506231 10.463144 267 1 20001034 6.976876 8.759921 10.553748 268 1 20001035 5.966936 6.578387 10.574456 269 1 20001035 5.440466 7.518014 9.191802 270 1 20001035 5.028431 6.498870 7.016409 271 1 20001035 6.664644 7.020454 6.608992 272 1 20001035 6.132865 5.379199 6.200488 273 7 20001014 8.248767 10.898576 7.688450 274 6 20001001 8.343236 12.362625 7.657138 275 6 20001002 7.106936 13.023508 8.306802 276 8 20001024 5.972266 12.590521 8.085253 277 6 20001001 8.482201 12.858345 6.205736 278 6 20001002 9.734414 12.352394 5.490176 279 8 20001025 9.598894 11.452557 4.623943 280 8 20001025 10.831213 12.869844 5.784357 281 1 20001029 8.023661 10.441590 6.821552 282 1 20001035 9.233036 12.667658 8.210228 283 1 20001034 7.610463 12.549085 5.636274 284 1 20001034 8.503254 13.949532 6.209528 285 7 20001014 7.337206 14.102237 9.064827 286 6 20001001 6.334415 14.956467 9.729465 287 6 20001002 5.178906 14.155501 10.385293 288 8 20001024 5.431964 13.267319 11.202797 289 6 20001001 5.909408 16.061864 8.743238 290 6 20001002 5.070838 17.144596 9.422687 291 8 20001025 5.662465 17.951135 10.171007 292 8 20001025 3.835800 17.107632 9.222678 293 1 20001029 8.302148 14.352578 9.197019 294 1 20001035 6.838009 15.459907 10.555356 295 1 20001034 6.803371 16.529204 8.325293 296 1 20001034 5.348632 15.618978 7.918152 297 7 20001014 3.910034 14.420397 10.051582 298 6 20001001 2.746854 13.677745 10.541264 299 6 20001002 2.576875 12.323709 9.848240 300 8 20001024 1.529536 12.060271 9.258713 301 1 20001029 3.747385 15.252667 9.485192 302 1 20001035 2.844287 13.511552 11.614049 303 1 20001035 1.850747 14.272160 10.364814 304 7 20001014 3.601344 11.466215 9.926005 305 6 20001001 3.724434 10.138018 9.296907 306 6 20001002 3.525153 10.114009 7.759697 307 8 20001024 3.307178 9.043106 7.185743 308 6 20001001 2.737435 9.143709 9.942157 309 6 20001001 2.496378 9.209868 11.456181 310 6 20001002 1.620285 8.048797 11.932503 311 8 20001024 1.926228 7.371274 12.898801 312 7 20001014 0.507692 7.745584 11.297787 313 1 20001029 4.422036 11.848348 10.392630 314 1 20001035 4.736265 9.784310 9.491825 315 1 20001034 1.771397 9.285766 9.458873 316 1 20001034 3.094258 8.140876 9.713265 317 1 20001034 3.455061 9.163890 11.973306 318 1 20001034 1.999705 10.144488 11.714253 319 1 20001029 0.180216 8.214846 10.449257 320 1 20001029 0.101268 6.881689 11.594255 321 7 20001014 3.529885 11.286324 7.118677 322 6 20001001 2.704276 11.684757 5.966470 323 6 20001002 1.396684 10.877961 5.803683 324 8 20001024 1.143683 10.250171 4.774458 325 6 20001001 3.532577 11.767108 4.669263 326 6 20001001 4.810102 12.621203 4.757556 327 6 20001001 5.438007 12.786513 3.370471 328 6 20001001 4.569052 14.031388 5.304876 329 1 20001029 3.973142 12.032293 7.645102 330 1 20001035 2.367779 12.700367 6.174311 331 1 20001034 3.805376 10.756418 4.365367 332 1 20001034 2.894635 12.191788 3.895389 333 1 20001034 5.515267 12.103464 5.401321 334 1 20001034 5.544360 11.820429 2.880898 335 1 20001034 4.819321 13.432414 2.751193 336 1 20001034 6.427806 13.231918 3.471849 337 1 20001034 3.807453 14.543020 4.717250 338 1 20001034 4.254889 13.980471 6.346453 339 1 20001034 5.498172 14.600423 5.272432 340 7 20001014 0.508161 10.975789 6.796813 341 6 20001001 -0.880928 10.499245 6.729084 342 6 20001002 -1.666944 11.169676 5.585480 343 8 20001024 -2.446392 10.509358 4.897482 344 6 20001001 -1.600913 10.736577 8.076885 345 6 20001002 -1.560411 9.550197 9.049787 346 8 20001025 -0.711134 8.646711 8.877644 347 8 20001025 -2.421165 9.510131 9.960222 348 1 20001029 0.823070 11.425827 7.652988 349 1 20001035 -0.868842 9.432018 6.516488 350 1 20001034 -1.190073 11.621594 8.565344 351 1 20001034 -2.651563 10.946747 7.872766 352 7 20001014 -1.490148 12.482391 5.402660 353 6 20001001 -2.218133 13.307058 4.435903 354 6 20001002 -1.426256 13.554334 3.150846 355 8 20001024 -0.580246 14.441801 3.101752 356 1 20001029 -0.796707 12.924676 5.987911 357 1 20001035 -3.171313 12.839181 4.187162 358 1 20001035 -2.427502 14.275541 4.889191 359 7 20001014 -1.740594 12.798654 2.097699 360 6 20001001 -1.184415 12.908418 0.742266 361 6 20001002 -2.301161 12.723496 -0.305248 362 8 20001024 -3.419331 12.345583 0.032872 363 6 20001001 -0.078811 11.844381 0.569621 364 6 20001001 1.214842 12.061866 1.375217 365 6 20001001 2.135199 10.855782 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5.779186 1722 1 20001031 11.399513 1.100081 4.656540 1723 7 20001014 15.454819 -1.340105 3.058146 1724 6 20001001 16.134225 -2.630368 2.931465 1725 6 20001002 15.253424 -3.630663 2.185590 1726 8 20001024 14.466555 -3.249265 1.321090 1727 1 20001029 14.907669 -1.034777 2.263230 1728 1 20001035 17.061095 -2.496211 2.374955 1729 1 20001035 16.368321 -3.028370 3.919509 1730 7 20001014 15.344573 -4.916661 2.520403 1731 6 20001001 14.452661 -5.966507 2.002018 1732 6 20001002 13.090762 -5.967184 2.723490 1733 8 20001024 12.628027 -6.960785 3.277584 1734 6 20001001 15.197470 -7.310064 1.988534 1735 6 20001002 16.142109 -7.307420 0.789057 1736 8 20001025 15.688580 -7.700244 -0.308169 1737 8 20001025 17.232761 -6.693731 0.856916 1738 1 20001029 16.041057 -5.195339 3.194550 1739 1 20001035 14.213191 -5.742576 0.961761 1740 1 20001034 15.749730 -7.454435 2.919054 1741 1 20001034 14.486659 -8.128152 1.867634 1742 7 20001014 12.423108 -4.817140 2.622351 1743 6 20001001 11.054946 -4.517115 3.042339 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20001035 8.690747 -3.383135 -0.123449 1767 1 20001034 7.733201 -6.215362 0.409374 1768 1 20001034 7.501726 -5.346119 -1.103895 1769 1 20001033 9.253273 -5.285444 -2.749979 1770 1 20001033 10.063144 -6.803925 1.200161 1771 1 20001033 11.478052 -6.090735 -3.505032 1772 1 20001033 12.297217 -7.561609 0.459201 1773 1 20001031 13.436979 -7.122028 -2.909057 1774 7 20001014 6.153141 -2.982199 -0.106494 1775 6 20001001 5.023946 -2.096917 0.144430 1776 6 20001002 3.954791 -2.137210 -0.946813 1777 8 20001024 4.109374 -2.780171 -1.985611 1778 6 20001001 5.561375 -0.671538 0.356453 1779 6 20001010 6.498749 -0.090967 -0.654018 1780 6 20001007 7.809309 0.130168 -0.420839 1781 6 20001009 6.227054 0.472512 -1.976043 1782 7 20001015 8.353558 0.849546 -1.456821 1783 6 20001011 7.403958 1.149853 -2.407636 1784 6 20001003 5.113140 0.526229 -2.845311 1785 6 20001003 7.448476 1.895681 -3.591513 1786 6 20001003 5.175640 1.210481 -4.073525 1787 6 20001003 6.337249 1.903055 -4.442405 1788 1 20001029 6.557115 -2.958237 -1.031930 1789 1 20001035 4.532661 -2.405737 1.068085 1790 1 20001034 4.732877 0.028754 0.434065 1791 1 20001034 6.070113 -0.658511 1.320594 1792 1 20001039 8.321147 -0.138354 0.487563 1793 1 20001029 9.316450 1.154651 -1.464075 1794 1 20001033 4.192000 0.041929 -2.572856 1795 1 20001033 8.359067 2.386421 -3.882474 1796 1 20001033 4.318152 1.244674 -4.724865 1797 1 20001033 6.377460 2.447473 -5.370956 1798 7 20001014 2.869743 -1.402091 -0.666976 1799 6 20001001 1.748696 -1.105564 -1.564508 1800 6 20001002 1.472661 0.406259 -1.531100 1801 8 20001024 1.476287 1.028317 -0.471417 1802 6 20001001 0.489709 -1.904404 -1.155341 1803 6 20001001 -0.697675 -1.633033 -2.088870 1804 6 20001001 0.715277 -3.422459 -1.168798 1805 1 20001029 2.862041 -0.922075 0.233916 1806 1 20001035 2.018601 -1.388058 -2.579159 1807 1 20001034 0.202650 -1.618563 -0.145656 1808 1 20001034 -0.438464 -1.882843 -3.118104 1809 1 20001034 -1.555489 -2.228546 -1.775596 1810 1 20001034 -0.985727 -0.585948 -2.032590 1811 1 20001034 1.562038 -3.685119 -0.537964 1812 1 20001034 -0.167740 -3.919204 -0.768993 1813 1 20001034 0.901128 -3.770497 -2.183219 1814 7 20001014 1.206206 1.005225 -2.691058 1815 6 20001001 0.593547 2.327625 -2.839012 1816 6 20001002 -0.823631 2.141674 -3.399272 1817 8 20001024 -1.036328 1.242285 -4.216136 1818 6 20001001 1.381529 3.218788 -3.816819 1819 6 20001003 2.816055 3.634013 -3.519644 1820 6 20001003 3.461411 3.364739 -2.295768 1821 6 20001003 3.511142 4.351408 -4.513477 1822 6 20001003 4.783518 3.798246 -2.080967 1823 6 20001003 4.825476 4.797708 -4.293687 1824 6 20001003 5.465460 4.515387 -3.077677 1825 1 20001029 1.207222 0.431446 -3.518066 1826 1 20001035 0.534355 2.816295 -1.871637 1827 1 20001034 1.378071 2.721596 -4.783121 1828 1 20001034 0.815145 4.142512 -3.938902 1829 1 20001033 2.964983 2.817185 -1.513701 1830 1 20001033 3.031299 4.585426 -5.453756 1831 1 20001033 5.289156 3.570173 -1.155303 1832 1 20001033 5.345424 5.347009 -5.068708 1833 1 20001033 6.491311 4.821667 -2.924982 1834 7 20001014 -1.782056 2.988734 -3.013254 1835 6 20001001 -3.164350 2.974731 -3.530617 1836 6 20001002 -3.683756 4.402599 -3.721020 1837 8 20001024 -3.555278 5.236884 -2.826518 1838 6 20001001 -4.133413 2.197159 -2.608986 1839 6 20001001 -5.471229 1.965078 -3.327895 1840 6 20001001 -3.618412 0.816442 -2.178759 1841 1 20001029 -1.523438 3.704828 -2.336791 1842 1 20001035 -3.161957 2.481396 -4.501442 1843 1 20001034 -4.317432 2.780270 -1.706633 1844 1 20001034 -5.310925 1.425177 -4.261233 1845 1 20001034 -6.133470 1.382614 -2.690027 1846 1 20001034 -5.961724 2.914311 -3.538449 1847 1 20001034 -2.723153 0.926221 -1.572020 1848 1 20001034 -4.370961 0.307249 -1.576607 1849 1 20001034 -3.378458 0.209145 -3.047732 1850 7 20001014 -4.304896 4.681327 -4.874397 1851 6 20001001 -4.999435 5.945762 -5.190610 1852 6 20001002 -6.376399 5.648476 -5.791281 1853 8 20001024 -6.457117 4.800396 -6.677819 1854 6 20001001 -4.147717 6.757577 -6.188170 1855 6 20001001 -4.674697 8.193003 -6.381103 1856 6 20001001 -4.057953 8.905056 -7.594495 1857 6 20001001 -2.582278 9.280508 -7.410458 1858 7 20001020 -2.393208 10.565059 -6.691907 1859 1 20001029 -4.341390 3.932631 -5.560863 1860 1 20001035 -5.131610 6.525907 -4.274869 1861 1 20001034 -3.119269 6.804266 -5.836727 1862 1 20001034 -4.145860 6.238692 -7.149042 1863 1 20001034 -5.745244 8.157194 -6.547111 1864 1 20001034 -4.508654 8.774565 -5.476117 1865 1 20001034 -4.144482 8.244586 -8.459002 1866 1 20001034 -4.639998 9.801863 -7.814629 1867 1 20001038 -2.061006 8.476093 -6.884343 1868 1 20001038 -2.117767 9.366771 -8.397093 1869 1 20001029 -1.392668 10.777748 -6.616760 1870 1 20001029 -2.804328 11.337721 -7.189183 1871 1 20001029 -2.789542 10.541929 -5.754675 1872 7 20001014 -7.437191 6.344663 -5.354951 1873 6 20001001 -8.747571 6.364820 -6.042503 1874 6 20001002 -8.619588 6.995517 -7.436489 1875 8 20001024 -7.988704 8.041989 -7.574123 1876 6 20001001 -9.801466 7.094789 -5.184522 1877 6 20001001 -11.206501 7.069074 -5.826893 1878 6 20001001 -12.322533 7.685376 -4.968842 1879 7 20001019 -12.519905 6.998065 -3.674193 1880 6 20001003 -12.087712 7.389974 -2.489694 1881 7 20001019 -11.360226 8.451391 -2.334300 1882 7 20001019 -12.369363 6.705686 -1.426713 1883 1 20001029 -7.268007 7.017912 -4.622413 1884 1 20001035 -9.077773 5.338574 -6.183132 1885 1 20001034 -9.846620 6.603620 -4.213166 1886 1 20001034 -9.494779 8.131465 -5.034973 1887 1 20001034 -11.176618 7.620636 -6.767151 1888 1 20001034 -11.483554 6.044099 -6.057213 1889 1 20001035 -12.106159 8.743251 -4.812717 1890 1 20001035 -13.253961 7.626816 -5.534796 1891 1 20001029 -13.058525 6.140072 -3.635951 1892 1 20001029 -11.015619 8.972519 -3.107090 1893 1 20001029 -10.886762 8.530189 -1.423042 1894 1 20001029 -12.900581 5.849518 -1.479381 1895 1 20001029 -12.037687 7.096454 -0.537076 1896 7 20001014 -9.226531 6.363900 -8.443511 1897 6 20001001 -9.284187 6.825611 -9.848546 1898 6 20001002 -10.726152 6.751360 -10.348015 1899 8 20001025 -11.627747 7.221321 -9.616791 1900 6 20001001 -8.273985 6.068645 -10.744896 1901 6 20001001 -8.002581 6.855545 -12.035479 1902 6 20001001 -6.903882 5.872729 -10.075749 1903 8 20001025 -11.005609 6.213895 -11.441319 1904 1 20001029 -9.786705 5.558039 -8.191394 1905 1 20001035 -9.025517 7.882106 -9.871793 1906 1 20001034 -8.674161 5.083860 -10.995945 1907 1 20001034 -7.574495 7.829361 -11.798497 1908 1 20001034 -7.311898 6.299865 -12.669448 1909 1 20001034 -8.927769 7.000411 -12.591007 1910 1 20001034 -6.506143 6.834076 -9.750178 1911 1 20001034 -7.000650 5.214435 -9.216489 1912 1 20001034 -6.210073 5.407226 -10.775633 1913 6 20001002 -10.190599 -7.517468 -3.164876 1914 8 20001024 -11.363633 -7.408315 -3.478712 1915 6 20001004 -9.502220 -6.413562 -2.460226 1916 6 20001004 -10.205326 -5.561340 -1.668023 1917 6 20001003 -9.682644 -4.478467 -0.883994 1918 6 20001003 -10.547420 -3.845420 0.059615 1919 6 20001003 -10.108607 -2.818615 0.846066 1920 6 20001002 -8.742970 -2.316597 0.751774 1921 6 20001003 -7.897629 -2.941142 -0.258927 1922 6 20001003 -8.345976 -3.984753 -1.015302 1923 8 20001024 -8.317795 -1.419749 1.511152 1924 1 20001034 -8.418149 -6.365221 -2.525236 1925 1 20001034 -11.275170 -5.740559 -1.594963 1926 1 20001033 -11.569029 -4.206737 0.150320 1927 1 20001033 -10.767902 -2.343219 1.563152 1928 1 20001033 -6.896375 -2.539789 -0.377907 1929 1 20001033 -7.690453 -4.433742 -1.753646 1930 1 20001029 -5.986528 15.601781 -4.249315 1931 1 20001029 6.880346 1.245021 -8.724325 --------------------------------------------------------------------- Rotational constants (GHZ): 0.0003332 0.0003210 0.0002699 Leave Link 202 at Tue Aug 4 14:24:15 2009, MaxMem= 157286400 cpu: 0.1 (Enter /home/gaussian-devel/gaussiandvh01_pgi_725/gdv/l9999.exe)