396
#symbol   rx   ry   rz   vx   vy   vz   charge   damp   ---  Molecular Workbench
Au  1.7699698  -10.9747677  -4.877521  0  0  0  0  0
Au  3.0310299  -9.0407801  -5.0068402  0  0  0  0  0
Au  1.28765  -9.0299416  -7.3038101  0  0  0  0  0
Au  2.9155805  -10.6781702  -7.4825301  0  0  0  0  0
Au  2.4765801  -9.2136497  0.0983  0  0  0  0  0
Au  3.1974299  -9.0283022  -0.92976  0  0  0  0  0
Au  1.29726  -8.89289  -3.0118096  0  0  0  0  0
Au  2.9449902  -11.1942616  -2.8547699  0  0  0  0  0
Au  1.2427  -11.1678314  3.0637898  0  0  0  0  0
Au  3.2370901  -9.0698614  3.0409901  0  0  0  0  0
Au  1.2368102  -8.9903402  1.04326  0  0  0  0  0
Au  3.14923  -11.1405497  0.8933  0  0  0  0  0
Au  1.2715404  -11.1232719  7.3071008  0  0  0  0  0
Au  3.2974801  -9.0525284  7.2013192  0  0  0  0  0
Au  1.25161  -9.0523996  5.12536  0  0  0  0  0
Au  3.24614  -11.1617823  5.1312799  0  0  0  0  0
Au  1.2460406  -6.8568349  -5.1634479  -0.0006166  0.0006336  -0.0002481  0  0
Au  3.2417881  -4.6173639  -5.2202997  -0.0001152  0.0007225  -0.0000401  0  0
Au  1.2979879  -4.8501081  -7.4441757  -0.0004024  -0.000118  0.0000724  0  0
Au  3.2303829  -6.9387264  -7.3125887  0.0004238  0.0002074  0.0006389  0  0
Au  1.1745352  -6.742681  -1.0690988  -0.0010556  -0.0007039  0.0001541  0  0
Au  3.3019783  -4.246017  -0.8584431  -0.000004  -0.0010564  0.0001239  0  0
Au  1.1823481  -4.665626  -3.126735  0.0006268  -0.000506  0.0008684  0  0
Au  3.2465932  -6.8210931  -3.0887659  -0.0003755  0.0002044  -0.0001791  0  0
Au  1.1395646  -6.8728781  3.1632547  0.000343  -0.0011355  -0.0013353  0  0
Au  3.1837361  -4.5351129  3.0567448  0.0009438  0.0026827  0.0010698  0  0
Au  1.1318651  -4.5935569  0.9587395  -0.0007695  -0.0017456  0.0002847  0  0
Au  3.2505977  -6.7037978  1.19753  -0.0000872  -0.0015543  -0.0001001  0  0
Au  1.2520145  -6.9802852  7.2020812  -0.0000638  0.0002013  0.0005156  0  0
Au  3.2728806  -4.8381295  7.5420899  -0.0003498  -0.0002146  -0.0001857  0  0
Au  1.326676  -4.7150335  5.3221865  -0.000098  0.0004479  -0.0001552  0  0
Au  3.2658284  -6.9930286  5.1072264  0.0006823  -0.0003924  -0.0005566  0  0
Au  -14.9710989  -11.1046095  -5.10572  0  0  0  0  0
Au  -12.9013901  -9.0238914  -5.0834999  0  0  0  0  0
Au  -14.9772387  -9.0040188  -7.1677899  0  0  0  0  0
Au  -12.9089298  -11.0917902  -7.2128301  0  0  0  0  0
Au  -14.9704971  -11.1620302  -1.00762  0  0  0  0  0
Au  -12.8828897  -9.0436497  -1.0091499  0  0  0  0  0
Au  -14.9761772  -9.0501099  -3.02403  0  0  0  0  0
Au  -12.9060373  -11.13937  -3.0506201  0  0  0  0  0
Au  -14.9652414  -11.1516504  3.0513799  0  0  0  0  0
Au  -12.8775787  -9.0245085  3.0276  0  0  0  0  0
Au  -14.9739981  -9.0550699  1.00635  0  0  0  0  0
Au  -12.8872604  -11.1501503  1.01844  0  0  0  0  0
Au  -14.9804478  -11.0569296  7.1379499  0  0  0  0  0
Au  -12.8974695  -9.0051298  7.1550102  0  0  0  0  0
Au  -14.9732695  -9.0283823  5.036551  0  0  0  0  0
Au  -12.8819904  -11.1156616  5.0834699  0  0  0  0  0
Au  -14.9473724  -6.9869823  -5.0439081  0.0002036  -0.0001284  0.0002965  0  0
Au  -12.8930225  -4.8834825  -5.1361566  -0.0003325  0.0002255  -0.000495  0  0
Au  -15.0202417  -4.978231  -7.1801662  0.0001478  0.0005502  -0.0001896  0  0
Au  -12.8898582  -6.9568973  -7.1488776  0.0000419  -0.0004952  0.0000687  0  0
Au  -14.9177074  -6.910841  -0.9674454  0.0002446  -0.0002084  -0.0001578  0  0
Au  -12.7546844  -4.804287  -1.026101  0.000052  0.0002042  -0.0002048  0  0
Au  -14.857832  -4.7376094  -3.0297265  0.0001485  0.0002477  0.0000112  0  0
Au  -12.8446465  -6.9500012  -3.0551598  0.000147  -0.0000059  -0.0001921  0  0
Au  -14.9645281  -6.9184804  3.0539703  0.000359  -0.0000802  -0.0001402  0  0
Au  -12.772625  -4.8633351  3.0345106  0.0000395  -0.0001972  0.0001342  0  0
Au  -14.8945179  -4.7821364  1.0183941  -0.000441  -0.0001301  0.0007106  0  0
Au  -12.8239031  -6.9480786  0.9765794  -0.0002723  0.0002161  0.0002335  0  0
Au  -15.030818  -6.9669437  7.0964522  0.0000997  0.000125  0.0000231  0  0
Au  -12.864212  -4.9017611  7.2216825  0.0001861  0.0001094  -0.0000431  0  0
Au  -14.8739376  -4.7779164  5.0385714  0.0005524  0.000214  0.0003694  0  0
Au  -12.8729591  -6.9289994  5.0959563  -0.0001949  0.0001259  -0.0003672  0  0
Au  4.94628  -11.1473503  -5.1094198  0  0  0  0  0
Au  7.23105  -9.0348988  -5.09022  0  0  0  0  0
Au  5.2104902  -9.0132504  -7.1318502  0  0  0  0  0
Au  7.1830993  -11.1722298  -7.0671301  0  0  0  0  0
Au  5.2271099  -11.1644096  -1.0595998  0  0  0  0  0
Au  7.2697291  -9.0854187  -1.0624298  0  0  0  0  0
Au  5.1533999  -9.0757895  -3.06393  0  0  0  0  0
Au  7.2109199  -11.1696501  -3.1589296  0  0  0  0  0
Au  5.2195997  -11.1949415  3.0139501  0  0  0  0  0
Au  7.2866092  -9.0787096  3.0342898  0  0  0  0  0
Au  5.2526298  -9.0745077  1.0177499  0  0  0  0  0
Au  7.2804399  -11.18046  0.98835  0  0  0  0  0
Au  5.29286  -11.1720896  7.1914601  0  0  0  0  0
Au  7.300561  -9.0487299  7.1942101  0  0  0  0  0
Au  5.2789898  -9.0770588  5.0942101  0  0  0  0  0
Au  7.3032899  -11.1745987  5.0845609  0  0  0  0  0
Au  5.1646004  -6.872736  -5.1747346  0.0005666  0.0008077  -0.0001382  0  0
Au  7.2571321  -4.8248558  -5.1613097  -0.0006097  0.0009944  -0.0004278  0  0
Au  5.2084627  -4.8314457  -7.3127494  0.0000536  0.0002859  -0.0004423  0  0
Au  7.2214432  -6.9950671  -7.246944  -0.0000792  -0.0004394  0.0001744  0  0
Au  5.1562905  -6.7852726  -1.0179201  0.0007888  -0.0009899  -0.0001363  0  0
Au  7.3463798  -4.7148967  -1.0961553  -0.0000028  -0.0007324  -0.0006719  0  0
Au  5.2118983  -4.6889944  -3.1449723  -0.0002448  0.0002849  0.0004025  0  0
Au  7.1314702  -6.8592391  -3.0284815  0.0003042  -0.0005213  -0.0002237  0  0
Au  5.3149529  -6.6792059  3.2038767  -0.0010897  -0.0002254  0.0000833  0  0
Au  7.3251038  -4.7100701  3.222846  0.0005175  -0.0010972  -0.0008758  0  0
Au  5.2752957  -4.5940852  0.9600512  0.0008749  -0.0008837  0.0000611  0  0
Au  7.2460756  -6.8941889  0.9679399  -0.0003113  0.0003853  0.0000301  0  0
Au  5.1670504  -7.0156832  7.2677402  -0.0001118  -0.000552  0.0007752  0  0
Au  7.2907829  -4.9165578  7.6157818  -0.0007649  0.0004308  0.0000156  0  0
Au  5.3013406  -4.6741633  5.2807503  0.00006  -0.0004203  -0.0000652  0  0
Au  7.3689847  -6.9198828  5.2545614  0.000102  0.0010926  -0.0007791  0  0
Au  -10.8856697  -11.1387014  -5.1184201  0  0  0  0  0
Au  -8.8445387  -9.0584602  -5.1380401  0  0  0  0  0
Au  -10.8838415  -9.0208616  -7.2142501  0  0  0  0  0
Au  -8.8775587  -11.1392498  -7.2347407  0  0  0  0  0
Au  -10.8512115  -11.151722  -1.02197  0  0  0  0  0
Au  -8.8106298  -9.0566387  -1.04074  0  0  0  0  0
Au  -10.8594685  -9.0502901  -3.06106  0  0  0  0  0
Au  -8.8443604  -11.1753702  -3.0880499  0  0  0  0  0
Au  -10.8473101  -11.1299715  3.0479999  0  0  0  0  0
Au  -8.8122416  -9.0415697  3.0588996  0  0  0  0  0
Au  -10.8340387  -9.0437803  1.01177  0  0  0  0  0
Au  -8.8171415  -11.1637115  1.02231  0  0  0  0  0
Au  -10.89849  -11.1380501  7.20719  0  0  0  0  0
Au  -8.8532915  -9.0422497  7.2178202  0  0  0  0  0
Au  -10.8556604  -9.0189419  5.0977902  0  0  0  0  0
Au  -8.8555098  -11.1375589  5.1228499  0  0  0  0  0
Au  -10.8432093  -6.9649601  -5.0956469  -0.0004838  -0.0001526  0.000589  0  0
Au  -8.7929277  -4.8679805  -5.2449489  0.000594  -0.0001299  0.0004414  0  0
Au  -10.8779697  -4.8820786  -7.2722878  0.0004215  -0.0003068  -0.0004796  0  0
Au  -8.7941084  -7.0222783  -7.2512102  -0.0001295  0.0009851  0.0000579  0  0
Au  -10.7745848  -6.9431324  -1.0360116  0.000077  -0.0002103  0.0000504  0  0
Au  -8.7603645  -4.8550262  -1.0488549  0.0000711  0.0004905  -0.0003661  0  0
Au  -10.7968006  -4.860847  -3.0742724  -0.0000542  -0.0001748  0.0000792  0  0
Au  -8.7866392  -6.9386401  -3.1013548  -0.0002784  0.0003123  -0.0007982  0  0
Au  -10.8080244  -6.986496  3.0681689  -0.000127  0.0001619  -0.0000299  0  0
Au  -8.7045984  -4.8413081  3.0661614  0.000015  0.0004983  0.0002073  0  0
Au  -10.7940836  -4.8497262  1.07331  -0.0004612  0.0002944  0.0005198  0  0
Au  -8.765749  -6.9694662  0.9834739  -0.0001415  -0.0001714  0.000081  0  0
Au  -10.8396435  -6.962709  7.2208428  0.0000546  -0.0003304  0.0002566  0  0
Au  -8.7731867  -4.9102859  7.258152  -0.0001628  -0.0003561  0.0002325  0  0
Au  -10.8008785  -4.9054565  5.1941094  0.0000324  0.0006537  -0.0000284  0  0
Au  -8.8521824  -6.9778242  5.0971403  -0.0002333  0.0000028  -0.0006855  0  0
Au  9.3395987  -11.1219921  -5.1195302  0  0  0  0  0
Au  11.3405895  -9.0013504  -5.1066599  0  0  0  0  0
Au  9.2557096  -9.0269804  -7.1856003  0  0  0  0  0
Au  11.3703403  -11.0439997  -7.2289791  0  0  0  0  0
Au  9.2976284  -11.1676617  -1.0860202  0  0  0  0  0
Au  11.3443403  -9.0399485  -1.0443  0  0  0  0  0
Au  9.296608  -9.0548201  -3.08938  0  0  0  0  0
Au  11.3857203  -11.12253  -3.0882897  0  0  0  0  0
Au  9.3362684  -11.1551914  3.0346401  0  0  0  0  0
Au  11.3373003  -9.037508  3.0246999  0  0  0  0  0
Au  9.3076296  -9.0661898  0.97878  0  0  0  0  0
Au  11.3537703  -11.1542616  0.96514  0  0  0  0  0
Au  9.3409004  -11.1367188  7.1739092  0  0  0  0  0
Au  11.3506498  -9.0001698  7.1767302  0  0  0  0  0
Au  9.3224697  -9.0487804  5.0926099  0  0  0  0  0
Au  11.3627501  -11.1100502  5.0931702  0  0  0  0  0
Au  9.1902323  -6.9274812  -5.0101833  0.0000454  0.0002175  0.0007472  0  0
Au  11.3565874  -4.8915043  -5.2280025  0.0000922  0.0004769  0.0003637  0  0
Au  9.2538528  -4.881331  -7.2526422  -0.0002738  -0.000051  -0.0009711  0  0
Au  11.3258543  -6.9956498  -7.3187785  -0.0004242  -0.0007859  0.0005244  0  0
Au  9.2538023  -6.8439569  -1.0428109  -0.0002699  0.0000196  -0.000518  0  0
Au  11.2862968  -4.746901  -1.144033  -0.0002175  0.0003848  0.0004348  0  0
Au  9.22682  -4.7706714  -3.1491871  -0.000034  -0.0001854  0.0004566  0  0
Au  11.2270546  -6.8837833  -3.0906322  0.0002426  0.0014331  -0.0000338  0  0
Au  9.2201614  -6.9134827  3.10586  0.0007032  0.0006971  0.0001633  0  0
Au  11.1787682  -4.6966815  3.2106957  -0.0006887  0.0011085  0.0006611  0  0
Au  9.2187929  -4.6391654  1.1211172  0.0000656  -0.000786  -0.0001676  0  0
Au  11.2575464  -6.8744693  1.0253567  0.0003574  0.0001885  -0.0003413  0  0
Au  9.3374147  -7.000679  7.2187018  0.0000154  0.0009295  -0.0000531  0  0
Au  11.3482561  -4.9376068  7.4570475  -0.0004454  -0.0010339  0.0007856  0  0
Au  9.3359413  -4.6689472  5.42873  0.0000218  0.0016034  -0.0001544  0  0
Au  11.2830372  -6.8875456  5.100328  0.0003958  -0.0008626  -0.0004877  0  0
Au  -6.82195  -11.1683321  -5.1447601  0  0  0  0  0
Au  -4.73667  -9.0899401  -5.1264501  0  0  0  0  0
Au  -6.7861099  -9.1047497  -7.2301402  0  0  0  0  0
Au  -4.6932192  -11.2159815  -7.1311502  0  0  0  0  0
Au  -6.8176608  -11.1929016  -1.0492698  0  0  0  0  0
Au  -4.7757101  -9.0865479  -1.04396  0  0  0  0  0
Au  -6.8053708  -9.0752096  -3.1028399  0  0  0  0  0
Au  -4.7932591  -11.1838503  -3.0999401  0  0  0  0  0
Au  -6.8145819  -11.1803503  3.0835199  0  0  0  0  0
Au  -4.7714601  -9.1005898  3.07002  0  0  0  0  0
Au  -6.8000202  -9.0812902  1.01097  0  0  0  0  0
Au  -4.7818899  -11.1885614  1.0140499  0  0  0  0  0
Au  -6.8300409  -11.1544495  7.2094498  0  0  0  0  0
Au  -4.810041  -9.0676603  7.23034  0  0  0  0  0
Au  -6.8034501  -9.0625496  5.1216998  0  0  0  0  0
Au  -4.7603898  -11.1865788  5.1143007  0  0  0  0  0
Au  -6.8004713  -7.0443997  -5.1707211  -0.0011363  0.0002266  0.0011327  0  0
Au  -4.7701464  -4.84798  -5.2602873  -0.0005255  0.0001726  0.0002542  0  0
Au  -6.7642827  -4.9730897  -7.3210726  0.0000257  0.0001076  0.0000998  0  0
Au  -4.7056541  -7.1190014  -7.2741513  -0.0001325  0.0002856  -0.0002163  0  0
Au  -6.711761  -6.9011936  -1.0430121  -0.0002347  -0.0000764  -0.0000467  0  0
Au  -4.669292  -4.7773538  -1.1399151  -0.000698  0.0000465  0.0000164  0  0
Au  -6.7125187  -4.8276978  -3.1015241  -0.0000721  0.0004308  -0.0000363  0  0
Au  -4.7555203  -6.9612575  -3.1495085  -0.0000146  -0.0004587  0.0000618  0  0
Au  -6.7742286  -6.9867983  3.0877242  -0.0002107  0.001007  -0.0000815  0  0
Au  -4.7005906  -4.8089828  3.1247861  -0.0008774  0.0002809  0.0002199  0  0
Au  -6.7054849  -4.8398657  1.0224537  -0.0001552  0.0002025  0.0001206  0  0
Au  -4.7696638  -6.947578  1.0504252  -0.0001291  -0.0002433  0.0000813  0  0
Au  -6.8091235  -7.0214977  7.2168446  0.0004456  -0.0002743  -0.0003347  0  0
Au  -4.791389  -4.939734  7.391758  -0.0005149  -0.0005272  0.0002929  0  0
Au  -6.7390504  -4.8861542  5.244823  0.0003142  0.0007166  -0.0004411  0  0
Au  -4.802681  -6.983139  5.1581721  0.0004113  0.0005387  0.0008315  0  0
Au  13.4091187  -11.0762587  -5.1306701  0  0  0  0  0
Au  15.4962387  -8.9722786  -5.0637898  0  0  0  0  0
Au  13.4101696  -8.9386387  -7.17696  0  0  0  0  0
Au  15.5175295  -10.973588  -7.1759801  0  0  0  0  0
Au  13.4296885  -11.1229715  -1.04118  0  0  0  0  0
Au  15.4938698  -9.01437  -1.02319  0  0  0  0  0
Au  13.3983116  -9.0061188  -3.0526104  0  0  0  0  0
Au  15.4947586  -11.101222  -3.08494  0  0  0  0  0
Au  13.38729  -11.1196299  3.0220704  0  0  0  0  0
Au  15.4645386  -8.9941988  3.00318  0  0  0  0  0
Au  13.3798695  -9.0212221  0.98614  0  0  0  0  0
Au  15.4804678  -11.11061  1.02064  0  0  0  0  0
Au  13.4301081  -11.0527496  7.1654301  0  0  0  0  0
Au  15.4904785  -8.9368773  7.1104302  0  0  0  0  0
Au  13.3778801  -8.9942684  5.0554309  0  0  0  0  0
Au  15.472477  -11.0836201  5.0490699  0  0  0  0  0
Au  13.4207134  -6.9393792  -5.180316  -0.0004311  -0.0002868  0.0005203  0  0
Au  15.3680429  -4.8443046  -5.2047467  0.0001544  0.000288  -0.0002904  0  0
Au  13.4466724  -5.1195402  -7.4679999  -0.0002109  -0.0002094  0.0005704  0  0
Au  15.6457272  -7.0298705  -7.2830825  0.0001484  0.0000483  0.0004217  0  0
Au  13.3041582  -6.8940787  -1.052407  -0.0008295  0.0007165  -0.0002906  0  0
Au  15.2673883  -4.7120118  -0.9933127  -0.000093  -0.0000697  -0.0001443  0  0
Au  13.3383474  -4.84056  -3.1226304  -0.0006547  -0.000174  -0.0007399  0  0
Au  15.4788885  -6.8423638  -3.0192654  -0.0002242  0.000042  0.0001422  0  0
Au  13.3214331  -6.9127254  3.0236495  -0.0005148  0.00087  0.0002936  0  0
Au  15.1768408  -4.68612  3.0287161  -0.0002661  -0.0001826  -0.0001532  0  0
Au  13.2328558  -4.8364096  0.9991918  0.0001804  0.000503  -0.0000813  0  0
Au  15.4573202  -6.8303285  1.0344782  -0.0002173  0.0005433  0.0006688  0  0
Au  13.3888454  -7.03719  7.1829481  0.000107  -0.0007403  -0.0003211  0  0
Au  15.4183741  -4.919271  7.2393236  -0.0003632  -0.0002649  0.0000598  0  0
Au  13.306674  -4.8595071  5.2153306  0.0000926  0.0004891  -0.0001451  0  0
Au  15.4377451  -6.9342642  5.0064998  0.0003369  0.0000844  -0.0002013  0  0
Au  -2.64625  -11.2047386  -5.0123801  0  0  0  0  0
Au  -0.62611  -9.0741987  -5.0795608  0  0  0  0  0
Au  -2.6147599  -9.1732216  -7.1556401  0  0  0  0  0
Au  -0.4204  -11.3359604  -6.8923907  0  0  0  0  0
Au  -2.7290301  -11.1980915  -1.0697998  0  0  0  0  0
Au  -0.69009  -9.0485697  -1.02309  0  0  0  0  0
Au  -2.71069  -9.0848484  -3.0643599  0  0  0  0  0
Au  -0.49648  -11.1736298  -3.00876  0  0  0  0  0
Au  -2.6963096  -11.20333  3.0308499  0  0  0  0  0
Au  -0.75976  -9.074048  3.0713699  0  0  0  0  0
Au  -2.7383199  -9.0984201  0.99021  0  0  0  0  0
Au  -0.61301  -11.2053299  0.89562  0  0  0  0  0
Au  -2.78474  -11.1570301  7.2587099  0  0  0  0  0
Au  -0.7576  -9.03895  7.2469993  0  0  0  0  0
Au  -2.7725201  -9.0772696  5.1454  0  0  0  0  0
Au  -0.7444202  -11.1703215  5.17523  0  0  0  0  0
Au  -2.6657825  -7.0203052  -5.0964165  0.0000503  -0.0005401  0.0002081  0  0
Au  -0.753449  -4.7403569  -5.3366356  0.0004348  0.00001  0.0003606  0  0
Au  -2.8519819  -4.7268472  -7.421464  -0.0013018  0.000647  -0.0012723  0  0
Au  -0.6875467  -7.0148096  -7.3916388  -0.0001446  -0.0001871  0.0002452  0  0
Au  -2.7484558  -6.8477893  -1.0096124  0.0010646  -0.0008793  -0.0000789  0  0
Au  -0.8323768  -4.5124311  -1.0176268  -0.0001208  0.0008731  -0.0002879  0  0
Au  -2.7974114  -4.8244753  -3.2483354  -0.0009413  0.0006463  -0.0000794  0  0
Au  -0.7215066  -6.8329058  -3.0611744  -0.0002523  -0.0008879  -0.0003109  0  0
Au  -2.8055019  -6.9185901  3.1439385  -0.0000957  0.0003725  -0.0002767  0  0
Au  -0.6780077  -4.6050277  3.2258177  0.0005999  -0.0001064  -0.0007827  0  0
Au  -2.7354198  -4.786211  1.1239052  0.0006967  -0.0006883  0.000963  0  0
Au  -0.7893592  -6.8722916  1.0532359  0.0000869  0.0005745  -0.000406  0  0
Au  -2.8171957  -7.0697303  7.3576126  0.0004704  0.0004915  -0.0005098  0  0
Au  -0.771455  -4.9770503  7.5732007  -0.0003905  0.0007762  -0.0002546  0  0
Au  -2.7913024  -4.690084  5.2683454  -0.0004975  0.0010143  0.0000736  0  0
Au  -0.7849092  -6.8591471  5.1879482  0.0002301  0.000316  -0.0001947  0  0
H  5.12398  -1.5334638  -1.3955224  0.0360879  0.0421661  0.0155256  0  0
H  3.711935  -1.6429086  -3.4291642  0.008451  -0.0127995  0.0085452  0  0
H  1.4113951  -1.7390096  -4.4859319  0.0051991  -0.0325702  -0.0005296  0  0
H  -1.0235482  -1.4602367  -3.8767855  -0.008216  -0.0369623  -0.0027674  0  0
H  -2.572078  -1.5552598  -1.9774429  -0.022238  -0.0158889  0.0010191  0  0
H  -2.7731323  -1.7210538  0.5574992  0.0081205  0.0292789  0.0121129  0  0
H  -1.502468  -1.5665619  2.7487407  -0.0012286  -0.0147021  -0.0054468  0  0
H  0.7884954  -1.8493348  3.7358284  -0.0198553  -0.0085292  -0.0097889  0  0
H  3.3012428  -1.8975353  3.0347183  0.0068364  0.0005553  0.0016725  0  0
H  4.8600349  -1.824137  1.1453117  -0.0391867  0.0232457  -0.0138474  0  0
C  5.1170268  -0.5860292  -1.3582481  -0.0007804  -0.0008835  -0.0008748  0  0
C  3.7034862  -0.556565  -3.3972921  0.0017895  0.0006274  -0.0037494  0  0
C  1.4182996  -0.5324904  -4.4351869  0.0040636  0.0005731  -0.0014904  0  0
C  -1.0248684  -0.4861404  -3.8703263  0.00018  -0.0009589  0.0015558  0  0
C  -2.5345109  -0.5526857  -1.9538515  -0.0046144  -0.0083586  0.0013431  0  0
C  -2.8113656  -0.5280469  0.6027206  -0.0027098  -0.0115728  0.0052497  0  0
C  -1.4946197  -0.5523116  2.725774  -0.0006427  -0.0006924  -0.0016579  0  0
C  0.8450059  -0.5635937  3.6337826  -0.0005497  0.0073746  -0.0076304  0  0
C  3.3131948  -0.5967972  3.0526297  0.0007605  -0.0054093  -0.0031918  0  0
C  4.8800983  -0.6348152  1.1496427  0.0015761  -0.0023633  0.005162  0  0
C  5.125278  0.0848574  -0.1040014  -0.0043509  -0.0084994  -0.0063644  0  0
C  4.620369  0.1311053  -2.5382631  0.0020346  -0.0069451  -0.0083482  0  0
C  2.6058791  0.1410239  -3.9984953  -0.0072893  -0.0019814  0.0026019  0  0
C  0.1710559  0.205596  -4.3047261  -0.0043271  -0.001428  0.0003914  0  0
C  -1.9132636  0.1773581  -3.0293608  -0.0022322  0.0021369  -0.0029795  0  0
C  -2.7361853  0.180108  -0.6475618  0.0089024  0.004547  -0.0077552  0  0
C  -2.2915521  0.1868456  1.802316  0.0009087  -0.0035932  0.000086  0  0
C  -0.3787201  0.145319  3.4142239  0.0018885  -0.0067002  0.0003842  0  0
C  2.1009111  0.1092318  3.5270772  -0.0011304  -0.0054834  0.0053929  0  0
C  4.1917701  0.0905561  2.2392471  0.0037115  -0.0026616  0.0063519  0  0
C  5.0854783  1.5540385  -0.0802939  -0.0034743  0.0006579  0.0005355  0  0
C  4.6437821  1.5907645  -2.5376043  -0.000927  -0.0109794  0.005846  0  0
C  2.651829  1.6357493  -4.0049014  -0.0067518  0.0016039  -0.0015319  0  0
C  0.1895784  1.6473725  -4.248764  0.0007964  -0.0014016  0.0059711  0  0
C  -1.9215705  1.6663754  -3.0079947  -0.0001713  -0.0025221  -0.0040208  0  0
C  -2.8218465  1.6309075  -0.670741  -0.0045057  0.0059751  0.0126169  0  0
C  -2.3086839  1.6618121  1.7953131  0.0004128  -0.0033426  -0.0040154  0  0
C  -0.3411764  1.6209104  3.3791533  -0.0021158  0.0010446  -0.0031204  0  0
C  2.1399117  1.5620798  3.5711076  0.0057025  -0.0055067  -0.0014006  0  0
C  4.2726207  1.5586449  2.2577894  -0.0110877  0.0012553  -0.0019486  0  0
C  5.0966845  2.2881691  -1.3395454  0.0026359  -0.0025674  -0.0001099  0  0
C  3.8073914  2.3377459  -3.4718118  0.0054081  0.0032423  0.0051453  0  0
C  1.4398752  2.3591692  -4.3218756  0.0101274  -0.0044556  -0.0034392  0  0
C  -0.9440819  2.3670146  -3.7767043  0.0002214  -0.0010801  0.0046454  0  0
C  -2.5402038  2.3651431  -1.9003509  -0.0019453  -0.0080839  -0.0051729  0  0
C  -2.6949677  2.3461475  0.5982254  -0.0015105  -0.0046489  0.0008887  0  0
C  -1.4271154  2.3755984  2.7233498  0.0039638  0.0005884  -0.0003718  0  0
C  0.9078729  2.334008  3.6964297  -0.0043657  -0.0008319  0.0021584  0  0
C  3.3129063  2.2995536  3.0444107  0.0016279  -0.0063576  0.0059877  0  0
C  4.9123688  2.2713916  1.1867737  0.0068798  -0.0010687  0.0054938  0  0
C  5.1072822  3.7347565  -1.3109493  0.0032505  -0.0083082  0.0022451  0  0
C  3.8013866  3.7791512  -3.4527519  0.0097941  0.0092331  -0.0016803  0  0
C  1.4769596  3.7777514  -4.3100586  -0.003792  0.0008949  0.0015546  0  0
C  -0.9242765  3.8103263  -3.735688  0.0066568  0.0008698  0.0062649  0  0
C  -2.5391598  3.816514  -1.8914258  0.0024161  0.0045127  -0.0039027  0  0
C  -2.7487864  3.8649487  0.6346088  -0.0041936  -0.0109132  0.0004786  0  0
C  -1.4132315  3.7992389  2.7487054  -0.0042606  0.0027469  -0.0019919  0  0
C  0.9302953  3.7507331  3.6473613  0.0033078  -0.0049614  -0.0021936  0  0
C  3.3209057  3.7281387  3.0738382  0.0026997  -0.0029513  -0.0042226  0  0
C  4.9457827  3.7307894  1.2138301  -0.0079678  -0.0028145  -0.0089045  0  0
C  5.161016  4.4751139  -0.0473757  0.0006034  0.0028518  -0.0028141  0  0
C  4.5844393  4.499495  -2.468955  0.00126  -0.0025991  0.0034237  0  0
C  2.7108123  4.4932504  -4.0785303  -0.0068355  -0.0125479  0.0049265  0  0
C  0.23593  4.5323796  -4.2138376  0.0014972  0.0014986  -0.0083381  0  0
C  -1.8704792  4.555347  -2.8844857  -0.0047658  -0.0037691  -0.0060197  0  0
C  -2.7913201  4.5534444  -0.6023245  0.0013044  0.0061131  0.0010838  0  0
C  -2.2653217  4.5520692  1.7960838  -0.0016383  0.0008301  -0.002995  0  0
C  -0.3424869  4.5380068  3.4656055  0.0030647  -0.0014995  0.014781  0  0
C  2.1760268  4.4700966  3.5537915  0.0002494  -0.0064611  0.0023187  0  0
C  4.2329073  4.4385791  2.2202203  -0.0006811  -0.0008238  0.0040386  0  0
C  5.1614084  5.9209809  -0.0442243  0.0025492  -0.001338  0.0036488  0  0
C  4.5742378  5.914258  -2.4090047  -0.0052584  -0.0016424  -0.0041892  0  0
C  2.6994359  6.0180378  -4.027915  0.0032481  -0.0034568  -0.0047888  0  0
C  0.2487283  6.0374408  -4.2042494  -0.001384  -0.007099  0.0037169  0  0
C  -1.8833295  5.9926229  -2.8648758  -0.0014985  -0.0116912  -0.0017978  0  0
C  -2.7995229  5.9715881  -0.6238987  0.0074953  -0.0002367  0.0036912  0  0
C  -2.2249448  6.0014057  1.7860663  0.0007512  -0.0074441  0.0066946  0  0
C  -0.3143278  5.9854875  3.4179707  -0.0036038  -0.0027113  -0.0050478  0  0
C  2.184279  5.969027  3.5885131  -0.0036305  -0.000517  -0.0009873  0  0
C  4.2415075  5.937602  2.2540967  0.006635  -0.0098059  -0.000869  0  0
C  5.1045756  6.6461334  -1.2714441  0.0056513  -0.0079668  -0.0054762  0  0
C  3.7708838  6.6992364  -3.3789284  0.0072127  0.0051171  0.0012981  0  0
C  1.4889632  6.7365975  -4.2858648  -0.0028368  0.0018892  0.0006078  0  0
C  -0.9014207  6.748034  -3.7375569  0.0000195  -0.0026759  0.005005  0  0
C  -2.5387969  6.6879673  -1.8177153  0.0001518  0.0028555  -0.004076  0  0
C  -2.7341266  6.7329507  0.6510541  0.0025744  0.0024788  0.0008959  0  0
C  -1.4065834  6.7528014  2.7892857  0.0026977  0.0015537  -0.0008233  0  0
C  0.9491888  6.6771207  3.703371  0.007015  -0.0049356  -0.0024239  0  0
C  3.3287466  6.652216  3.0690546  -0.0001574  -0.0070575  0.0044846  0  0
C  4.9277363  6.6415472  1.1892413  0.0011788  0.0108832  0.0033018  0  0
C  5.1038132  8.1245575  -1.2694035  -0.0102322  -0.0038727  -0.0014277  0  0
C  3.8053844  8.2059669  -3.3898387  0.0025244  -0.011037  -0.0067403  0  0
C  1.5133718  8.2232246  -4.2950625  0.001001  -0.0027711  0.0003888  0  0
C  -0.9115696  8.2376833  -3.6841466  -0.0093433  -0.006507  -0.0093993  0  0
C  -2.5800712  8.173214  -1.8345916  -0.0026216  -0.0029103  0.0120804  0  0
C  -2.6786962  8.1552153  0.642496  0.000111  -0.005768  0.0056682  0  0
C  -1.3524427  8.1613979  2.7760072  -0.0062627  -0.0019682  -0.0057537  0  0
C  0.9667608  8.1578093  3.6472869  -0.0026724  0.0073969  0.0009093  0  0
C  3.3312283  8.1235466  3.1043324  0.0006046  -0.0023658  -0.0046207  0  0
C  4.9581733  8.1088943  1.1968316  -0.0014326  -0.0090132  -0.006758  0  0
C  5.2309012  8.8188438  0.0093406  -0.0012791  0.0080422  -0.008121  0  0
C  4.6263285  8.8862896  -2.440835  -0.0001775  0.0046072  -0.0000868  0  0
C  2.7115815  8.9369898  -3.961472  -0.0032504  0.0011493  0.0068389  0  0
C  0.259558  8.9635344  -4.1591272  -0.0059708  0.0004766  -0.0011294  0  0
C  -1.8184197  8.9047194  -2.8609016  0.0006831  0.0008523  -0.0006502  0  0
C  -2.8065853  8.8718386  -0.5792164  -0.0039896  -0.0096607  0.0023013  0  0
C  -2.214834  8.9118948  1.8133787  -0.0077282  0.0067539  0.0014991  0  0
C  -0.2678929  8.8687859  3.4405005  -0.0049668  -0.0110076  -0.0002455  0  0
C  2.2244844  8.828907  3.5313635  -0.0032888  -0.0047244  -0.0010863  0  0
C  4.3349214  8.8419189  2.3259361  -0.0076098  0.0055288  0.0038792  0  0
C  5.1787491  10.2665434  0.0233193  0.0057666  0.0050114  0.0028436  0  0
C  4.641324  10.2925711  -2.4218485  0.0057103  0.0000485  0.0028835  0  0
C  2.7441442  10.3291693  -3.9844644  0.004204  0.0006187  0.0068193  0  0
C  0.2912028  10.4182577  -4.1505723  0.0098867  -0.0045968  -0.0010533  0  0
C  -1.8846095  10.3946829  -2.8634255  0.0075511  0.0007239  -0.0025788  0  0
C  -2.7960191  10.3757896  -0.5829905  -0.0005954  0.0003219  -0.010083  0  0
C  -2.1707368  10.383853  1.7942382  -0.0023715  -0.0046309  0.0008657  0  0
C  -0.2255519  10.3465996  3.3922436  0.0083798  -0.0012509  0.0028006  0  0
C  2.2205496  10.3533878  3.5738325  0.0013613  -0.0049051  0.0012912  0  0
C  4.3031454  10.2795229  2.307018  0.0028363  -0.0055312  0.0036394  0  0
C  5.1963091  10.9872112  -1.2792814  -0.0043972  -0.0020248  0.0011264  0  0
C  3.8292537  11.0192156  -3.3844855  -0.0011743  -0.0128469  -0.0021672  0  0
C  1.5299357  11.0614948  -4.3106866  -0.0042737  -0.0064059  0.0001363  0  0
C  -0.8811136  11.1193781  -3.6845407  -0.0086725  -0.0042777  -0.0010509  0  0
C  -2.5216236  11.0795088  -1.7875463  0.0026089  -0.0031417  0.0031936  0  0
C  -2.7403321  11.0351553  0.6660964  0.0055553  -0.0079739  -0.0098837  0  0
C  -1.3574907  11.0650158  2.7998815  -0.0003752  -0.007079  0.0025359  0  0
C  1.0103058  11.023756  3.6722643  0.0001354  0.0051681  0.0004388  0  0
C  3.3507824  10.9822035  3.1718524  0.0101878  0.0098586  -0.0001412  0  0
C  4.9463224  10.9665146  1.2554921  -0.0057181  -0.014562  0.0008928  0  0
H  5.0773945  12.0969524  -1.2830701  -0.0018565  0.0045701  -0.011888  0  0
H  3.8098881  12.0372553  -3.3111064  0.0178386  0.0080018  -0.0110908  0  0
H  1.5711373  12.2239237  -4.2492747  0.0243977  0.0271718  0.0055179  0  0
H  -0.8813082  12.1188917  -3.6367602  0.0413696  0.0187915  0.0131804  0  0
H  -2.6191764  12.1907005  -1.8007706  -0.0002189  0.0152103  -0.0200211  0  0
H  -2.7487125  12.0864372  0.6765185  0.020122  0.0250598  0.0578006  0  0
H  -1.2774619  12.1366653  2.7525282  -0.0364857  0.0122156  -0.0036171  0  0
H  0.9965754  12.0806303  3.6128521  0.0031821  -0.0387108  -0.006222  0  0
H  3.3454978  12.1831608  3.189117  -0.0075645  -0.010166  0.0133993  0  0
H  4.9387016  12.1698694  1.3029829  0.0052063  -0.0081712  -0.0076607  0  0
bond 256 266 4.5 1.0961802
bond 257 267 4.5 1.0962002
bond 258 268 4.5 1.0961802
bond 259 269 4.5 1.0962002
bond 260 270 4.5 1.0961802
bond 261 271 4.5 1.0961802
bond 262 272 4.5 1.0962002
bond 263 273 4.5 1.0961802
bond 264 274 4.5 1.0962002
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torsion 344 354 364 374 100.0 3.1378596
torsion 345 355 365 375 100.0 3.1380599
torsion 346 356 366 376 100.0 1.02651
torsion 347 357 367 377 100.0 1.02658
torsion 348 358 368 378 100.0 1.02687
torsion 349 359 369 379 100.0 1.02636
torsion 350 360 370 380 100.0 1.02657
torsion 351 361 371 381 100.0 1.02651
torsion 352 362 372 382 100.0 1.02658
torsion 353 363 373 383 100.0 1.02687
torsion 354 364 374 384 100.0 1.02636
torsion 355 365 375 385 100.0 1.02657
torsion 386 376 366 356 100.0 3.1220901
torsion 387 377 367 357 100.0 3.1212399
torsion 388 378 368 358 100.0 3.1219699
torsion 389 379 369 359 100.0 3.12146
torsion 390 380 370 360 100.0 3.1218896
torsion 391 381 371 361 100.0 3.1220901
torsion 392 382 372 362 100.0 3.1212399
torsion 393 383 373 363 100.0 3.1219699
torsion 394 384 374 364 100.0 3.12146
torsion 395 385 375 365 100.0 3.1218896
torsion 266 277 267 278 100.0 2.5931199
torsion 267 278 268 279 100.0 2.5943897
torsion 268 279 269 280 100.0 2.5938199
torsion 269 280 270 281 100.0 2.5940499
torsion 270 281 271 282 100.0 2.59408
torsion 271 282 272 283 100.0 2.5931199
torsion 272 283 273 284 100.0 2.5943897
torsion 273 284 274 285 100.0 2.5938199
torsion 274 285 275 276 100.0 2.5940499
torsion 275 276 266 277 100.0 2.59408
torsion 306 317 307 318 100.0 2.5993199
torsion 307 318 308 319 100.0 2.59936
torsion 308 319 309 320 100.0 2.5983896
torsion 309 320 310 321 100.0 2.5998898
torsion 310 321 311 322 100.0 2.5988395
torsion 311 322 312 323 100.0 2.5993199
torsion 312 323 313 324 100.0 2.59936
torsion 313 324 314 325 100.0 2.5983896
torsion 314 325 315 316 100.0 2.5998898
torsion 315 316 306 317 100.0 2.5988395
torsion 346 357 347 358 100.0 2.5992701
torsion 347 358 348 359 100.0 2.5988595
torsion 348 359 349 360 100.0 2.5994101
torsion 349 360 350 361 100.0 2.5988095
torsion 350 361 351 362 100.0 2.59902
torsion 351 362 352 363 100.0 2.5992701
torsion 352 363 353 364 100.0 2.5988595
torsion 353 364 354 365 100.0 2.5994101
torsion 354 365 355 356 100.0 2.5988095
torsion 355 356 346 357 100.0 2.59902
