198
#symbol   rx   ry   rz   vx   vy   vz   charge   damp   ---  Molecular Workbench
C  -1.6223  -3.9161601  -10.51367  0.00056  0.0009  -0.00139  0  0
C  -1.42661  -5.36766  -10.6495371  -0.0011  0.00029  -0.00049  0  0
C  -0.13796  -5.3438101  -9.828084  -0.00076  -0.0013  -0.00235  0  0
C  -0.18878  -3.87642  -9.6972504  -0.00008  -0.00093  0.00093  0  0
H  -2.55316  -3.8278499  -9.9863863  -0.00044  0.0024  -0.00271  0  0
H  -1.7182904  -3.4767201  -11.5172834  0.00311  -0.00078  0.00159  0  0
H  -1.31802  -5.7206998  -11.6539841  -0.00287  -0.00016  0.00079  0  0
H  -2.2355609  -5.8814702  -10.1181841  0.00093  0.00265  -0.00044  0  0
H  0.7471604  -5.6173701  -10.4276896  -0.00316  0  -0.00277  0  0
H  -0.21651  -5.8942819  -8.8715897  0.00027  -0.00283  -0.00377  0  0
H  0.7135  -3.5112898  -10.1862898  -0.00096  -0.00125  0.00395  0  0
H  -0.10678  -3.5670099  -8.6527414  -0.00133  -0.00309  0.00212  0  0
C  -2.9238901  1.00061  -0.35228  -0.00065  -0.00031  0.00149  0  0
C  -3.2734809  2.4461901  -0.83317  -0.00259  0.00085  -0.00187  0  0
C  -2.45579  2.78582  -2.0898499  -0.00021  -0.00056  0.00142  0  0
C  -2.27033  4.29426  -2.1731799  -0.00093  0.00271  -0.00102  0  0
H  -1.9715409  1.00369  0.10856  0.0007  0.00067  0.00623  0  0
H  -3.6719196  0.66668  0.36402  -0.00226  -0.00128  -0.00178  0  0
H  -2.9134309  0.36081  -1.1611204  0.003  0.00306  0.00616  0  0
H  -4.30124  2.5027301  -1.0570996  -0.00094  -0.00026  -0.00576  0  0
H  -3.03708  3.15095  -0.0543  -0.00456  0.00551  -0.00029  0  0
H  -1.45013  2.28845  -2.02931  0.00207  0.00042  0.00526  0  0
H  -2.965771  2.4462309  -2.9472301  0.00275  -0.00306  0.00025  0  0
H  -1.4916304  4.51302  -2.8305399  -0.00494  0.0042  -0.01342  0  0
H  -2.0357101  4.6807499  -1.2012705  0.00819  0.00076  -0.00873  0  0
H  -3.1437299  4.7323799  -2.5160201  -0.0009  0.00089  0.0109  0  0
C  7.95925  4.7017093  -1.4647094  0.00375  0.00298  0.00056  0  0
C  6.6252198  4.7787499  -1.6245499  0.00045  -0.00062  0.00104  0  0
C  5.9228201  6.1121902  -1.4405996  0.00102  -0.00032  -0.00295  0  0
C  4.5815201  6.1529398  -1.4345791  0.00036  0.00176  -0.00015  0  0
H  8.4730167  5.4506907  -0.9044502  -0.00206  -0.00114  0.00966  0  0
H  8.4579897  3.8683596  -1.7723705  0.01268  -0.00285  -0.00526  0  0
H  6.1207199  3.9981196  -2.0619299  0.00039  -0.00529  -0.00409  0  0
H  6.4745021  6.9550319  -1.1124499  0.00091  -0.00345  -0.00599  0  0
H  4.0514302  7.1271996  -1.24586  0.00211  0.00125  0.01471  0  0
H  3.98807  5.1961102  -1.5274794  0.00048  0.00665  -0.00408  0  0
C  -1.1218405  -4.2177401  1.62371  0.00173  -0.00195  0.00071  0  0
C  -2.09197  -5.0543318  0.98374  0.00118  -0.00024  0.00264  0  0
C  -2.1438096  -4.1374102  -0.27005  0.00057  0.00148  0.00023  0  0
C  -1.3630695  -3.12606  0.38473  -0.00118  0.00049  -0.00031  0  0
H  -0.22423  -4.831562  1.65153  -0.00168  0.00087  -0.00156  0  0
H  -1.4604793  -4.00212  2.648339  0.0032  -0.00247  0.00346  0  0
H  -3.05024  -5.1661201  1.52518  -0.0014  0.00057  0.00617  0  0
H  -1.62569  -6.02841  0.75874  -0.00142  0.00155  0.0024  0  0
H  -3.1284399  -3.7492101  -0.45318  0.00097  0  -0.00043  0  0
H  -1.65561  -4.5940619  -1.1822205  0.00269  -0.00021  -0.00136  0  0
H  -2.0453701  -2.27144  0.51816  -0.00156  -0.00042  0.00162  0  0
H  -0.55365  -2.76316  -0.2595  -0.00055  0.00336  -0.00133  0  0
C  1.87895  -6.0048618  2.9370401  -0.00205  -0.00078  0.00047  0  0
C  0.64263  -5.1129198  3.0183897  0.00049  -0.00018  0.00067  0  0
C  0.8959796  -3.8118992  2.2294209  0.0014  -0.00185  -0.00075  0  0
C  2.0274  -3.0471399  2.8715599  0.0005  -0.00164  -0.00115  0  0
C  3.3086996  -3.8752999  2.7889898  0.00017  -0.00135  -0.00018  0  0
C  3.10021  -5.2532482  3.5434701  -0.00041  -0.00179  -0.00036  0  0
H  1.70441  -6.9085402  3.4846709  -0.00283  -0.00014  0.0008  0  0
H  2.0815399  -6.2433081  1.9137005  -0.00293  -0.0015  0.00047  0  0
H  -0.19829  -5.6280398  2.60006  -0.00042  0.00055  0.00212  0  0
H  0.44101  -4.8741627  4.03824  0.00175  0.00123  0.00086  0  0
H  0.01303  -3.2105801  2.2369301  0.00168  -0.00169  -0.00243  0  0
H  1.1565596  -4.0514607  1.22096  0.00229  -0.00346  -0.00031  0  0
H  2.1695099  -2.1182799  2.35957  0.00061  -0.00175  -0.00181  0  0
H  1.7914804  -2.8554101  3.8958199  0.00017  -0.00104  -0.00152  0  0
H  4.1126499  -3.3336501  3.24754  -0.0003  -0.00146  0.00046  0  0
H  3.54691  -4.0639081  1.7639204  0.00092  -0.00113  0.00039  0  0
H  3.9785199  -5.8550019  3.4347  -0.00134  -0.00233  -0.00142  0  0
H  2.9221601  -5.0675201  4.5809898  0.00086  -0.00208  -0.00035  0  0
C  -4.7376003  2.04334  5.5101218  0.00164  0.00017  0.0014  0  0
C  -3.89223  1.1981105  4.5966201  -0.00055  -0.00016  0.00041  0  0
C  -3.7242999  2.7209401  4.6023798  -0.00198  0.00211  -0.00036  0  0
H  -4.4749107  2.0034809  6.5495996  0.00524  0.00035  0.00551  0  0
H  -5.7685995  2.15202  5.2182999  0.00033  -0.00069  0.00367  0  0
H  -4.41223  0.77972  3.71857  -0.00157  -0.00064  0.0024  0  0
H  -3.0869701  0.63038  5.0843701  0.00024  0.00113  -0.0014  0  0
H  -4.14568  3.2551401  3.725651  -0.00477  0.00143  0.0014  0  0
H  -2.8246601  3.09724  5.0948019  -0.0013  0.00345  -0.00227  0  0
C  2.2064109  -10.2861862  -9.2308969  0.00198  -0.0001  -0.0048  0  0
C  3.37394  -10.1782236  -8.5994864  0.00134  -0.00091  -0.00035  0  0
H  1.9163806  -11.2091475  -9.6432924  -0.00957  -0.01132  0.01063  0  0
H  1.55687  -9.4791756  -9.2570696  -0.00816  -0.01049  0.0135  0  0
H  3.9775898  -11.0323  -8.454917  -0.00531  -0.00118  0.00837  0  0
H  3.5733399  -9.32619  -7.9818101  0.00376  0.0052  -0.00017  0  0
C  -4.0653701  7.0015702  3.6654501  -0.00426  0.00431  0.00077  0  0
C  -3.6143091  5.57131  3.46735  -0.00201  0.00031  -0.00118  0  0
H  -3.53073  7.4346619  4.4885902  -0.0088  0.00158  0.00226  0  0
H  -3.8698599  7.5629382  2.7804701  -0.00034  0.00694  0.00187  0  0
H  -5.1167402  7.01933  3.8740897  -0.00539  0.00387  -0.00351  0  0
H  -2.5585992  5.5029898  3.6394701  -0.00075  0.00193  -0.00684  0  0
H  -4.1358418  4.9285202  4.1636181  0.00096  -0.00205  0.00437  0  0
H  -3.83004  5.2676082  2.4780099  -0.00662  -0.00023  0.00158  0  0
C  6.2405996  10.274106  -6.0161219  -0.00034  -0.00191  0.00132  0  0
C  6.344512  10.8038235  -4.586  0.00052  0.00452  0.00067  0  0
C  5.2387199  10.2174263  -3.7515099  0.00141  0.00192  0.00364  0  0
C  5.4054918  8.7061262  -3.6513991  0.00256  0.00291  0.003  0  0
C  4.0220799  8.0266285  -3.5217996  0.00278  -0.00084  -0.0025  0  0
C  2.93033  9.1406403  -3.1233897  -0.00048  -0.00213  -0.00219  0  0
H  6.4066901  9.2112436  -6.01899  -0.00263  0.00252  0.00582  0  0
H  5.25945  10.4849167  -6.4043307  0.00075  -0.00347  -0.0002  0  0
H  6.9681101  10.7472296  -6.6226683  0.00068  -0.00511  -0.00092  0  0
H  7.2885799  10.5258303  -4.1743507  -0.00019  0.00882  -0.00266  0  0
H  6.2568102  11.8852501  -4.5884099  -0.00124  -0.00026  -0.00308  0  0
H  5.2762098  10.6470299  -2.7572999  0.00439  0.00045  0.00473  0  0
H  4.2946901  10.44312  -4.2004399  0.00777  0.00039  0.01129  0  0
H  5.9949617  8.4701061  -2.7841096  -0.00305  0.00506  0.00478  0  0
H  5.9133  8.3326263  -4.54842  0.00819  0.00224  0.00223  0  0
H  4.0654502  7.2555919  -2.7397301  0.00027  -0.01463  0.00143  0  0
H  3.7477999  7.5660901  -4.4759302  0.00681  0.00638  -0.00175  0  0
H  2.7227001  9.0861464  -2.04373  0.00047  -0.0001  -0.00375  0  0
H  3.3087199  10.1033335  -3.36344  -0.00277  -0.0021  -0.00343  0  0
H  1.9864504  8.9621201  -3.6922898  -0.00086  -0.00584  -0.00158  0  0
C  -1.2383205  7.0753002  5.0169501  0.00207  -0.00077  -0.00058  0  0
C  -0.65208  5.8059602  4.3982301  -0.00037  -0.00486  -0.00016  0  0
C  -0.52842  4.6877198  5.50739  0.00014  -0.00228  -0.00048  0  0
C  0.40514  3.5740499  5.01261  0.00072  0.00092  0.00147  0  0
H  -2.29848  6.9685602  5.1115718  0.00146  0.0004  0.00251  0  0
H  -0.81236  7.2293782  5.9738812  0.00443  0.0011  -0.00279  0  0
H  -1.0174594  7.915802  4.38798  0.0014  -0.00167  -0.00404  0  0
H  -1.2927405  5.4628401  3.6178992  -0.00272  -0.00508  0.00143  0  0
H  0.31241  6.0176802  3.9982996  -0.00184  -0.00738  -0.00214  0  0
H  -0.13078  5.1142702  6.3977418  -0.00052  -0.00045  0.00072  0  0
H  -1.49433  4.2781701  5.7097898  0.00109  -0.00351  -0.001  0  0
H  1.4392594  3.9030609  5.0965619  0.00115  0.00263  0.00356  0  0
H  0.18071  3.3479199  3.9716601  0.00331  0.00187  0.00285  0  0
C  0.19676  2.2971699  5.8748021  0.00138  0.00047  -0.00054  0  0
H  -0.83386  2.2580299  6.2232881  0.00385  0.00162  0.00219  0  0
H  0.86605  2.3250201  6.7283998  0.00539  -0.00224  -0.00108  0  0
H  0.41338  1.4077696  5.2705607  -0.00191  0.00033  -0.0035  0  0
C  1.1499596  9.6690836  5.850172  -0.00214  -0.00049  -0.00078  0  0
C  -0.14477  9.18367  5.6926599  -0.00199  0.00092  -0.00116  0  0
C  -0.9538004  9.6821699  4.6806188  0.00061  0.00093  0.00016  0  0
C  -0.48204  10.6947298  3.8496709  0.00138  0.0015  0.00137  0  0
C  0.74419  11.2892771  4.1138802  0.00049  0.00074  0.00185  0  0
C  1.5696295  10.76548  5.1154017  -0.00124  0.00096  -0.00077  0  0
H  1.74616  9.3123999  6.6767802  0.0014  -0.00544  -0.00375  0  0
H  -0.49335  8.3772001  6.3069301  -0.00199  -0.00091  -0.00323  0  0
H  -1.91927  9.2373495  4.4934802  -0.00041  0.00285  0.00038  0  0
H  -1.09718  11.0626202  3.04724  0.00412  -0.00085  -0.00095  0  0
H  1.1109405  12.0745859  3.47434  0.00305  -0.00223  -0.00048  0  0
H  2.532671  11.2169895  5.3135719  -0.00097  0.00057  -0.00062  0  0
C  2.7120409  2.4568  -11.6430302  -0.00167  -0.00035  -0.00048  0  0
C  2.8494809  1.15008  -11.2901402  -0.00123  -0.00071  -0.00008  0  0
C  -4.0308518  1.2923905  -12.9475546  -0.00062  -0.0018  -0.0007  0  0
C  -3.87638  -0.01455  -12.5704556  0.00089  0.00018  -0.00039  0  0
C  -0.72447  2.2003801  -8.7055769  0.00039  0.00017  -0.00117  0  0
C  -2.0534  1.9669206  -8.9820261  -0.00067  0.0004  -0.00044  0  0
C  0.80904  0.49671  -15.2575769  -0.00079  -0.00001  0.00245  0  0
C  -0.52008  0.28857  -15.4707861  0.00048  0.00009  0.00244  0  0
C  -1.12596  4.6598701  -12.3790569  -0.00032  0.00062  -0.00057  0  0
C  -0.82571  4.3628001  -13.6722603  -0.00075  0.00046  0.00041  0  0
C  -0.32791  -1.9350904  -10.5177298  -0.00009  -0.00057  -0.00031  0  0
C  -0.01693  -2.2820709  -11.7900896  0.00023  -0.0007  -0.00053  0  0
C  1.9001406  3.3520401  -10.8256435  -0.0007  -0.00037  0.0001  0  0
C  2.39905  2.7987499  -13.002677  -0.00058  -0.00021  0.00028  0  0
C  2.23072  0.65729  -10.0837898  -0.00095  0.00019  0.00022  0  0
C  2.73434  0.10768  -12.3044968  0.00036  -0.00088  0.00006  0  0
C  -3.93399  2.3485296  -11.9571495  0.00024  -0.00013  -0.00071  0  0
C  -3.4025009  1.7735704  -14.1716604  0.00043  -0.00064  -0.0001  0  0
C  -3.5881991  -0.33863  -11.1917324  -0.00031  0.00054  0.00112  0  0
C  -3.0217199  -0.9033204  -13.3575802  0.00083  -0.00024  -0.00061  0  0
C  -0.03284  3.3121898  -9.3413734  -0.00039  0.00098  -0.00043  0  0
C  0.23924  1.0803704  -8.7216902  -0.00013  0.00062  -0.00038  0  0
C  -2.7731099  2.85302  -9.8746367  0.00019  0.00046  -0.00019  0  0
C  -2.5128601  0.6078902  -9.2278814  -0.00083  0.00025  0.00036  0  0
C  1.2970304  1.8367696  -14.9623699  -0.00093  -0.00055  0.00194  0  0
C  1.5529499  -0.39707  -14.3837299  0.00023  -0.00196  -0.0007  0  0
C  -1.4216  1.41839  -15.5680037  0.00022  0.00047  0.00034  0  0
C  -1.1668304  -0.8797  -14.9151602  0.00102  -0.00123  -0.0003  0  0
C  -0.08686  4.65064  -11.3752604  -0.0008  -0.00048  -0.00102  0  0
C  -2.40733  4.2565417  -11.8225603  -0.00153  0.00012  -0.00018  0  0
C  0.5102299  3.9437501  -14.0242414  -0.00083  -0.0007  0.00025  0  0
C  -1.76582  3.5755301  -14.4781895  -0.00004  -0.00001  0.00084  0  0
C  0.58972  -1.1204499  -9.7472  0.00059  0.00095  0.00033  0  0
C  -1.6551499  -1.4733905  -10.2061968  0.00015  -0.00007  -0.00045  0  0
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C  -0.99212  -2.11924  -12.83811  0.00116  0.00029  0.00025  0  0
C  1.30593  2.88392  -9.6857624  -0.00002  0.00012  -0.00136  0  0
C  2.34251  1.8125296  -13.9669285  0.00002  0.00044  0.00024  0  0
C  1.5060405  1.5113804  -9.2821875  0.00016  0.00018  -0.00043  0  0
C  2.4431801  0.44414  -13.5960369  -0.0005  -0.00057  0.00002  0  0
C  -3.6893897  2.0395  -10.6529303  0.00057  0.0002  0.00028  0  0
C  -2.6317399  0.92218  -14.9283504  0.00044  0.00048  -0.00015  0  0
C  -3.5232301  0.65395  -10.2543001  -0.00005  0.00022  0.00049  0  0
C  -2.4874902  -0.46738  -14.5361366  0.00268  0.00084  0.00013  0  0
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C  -0.20132  -0.19856  -8.9297895  0.0002  0.0009  0.00012  0  0
C  -2.1227901  3.90909  -10.4628496  0.00056  -0.00044  -0.00095  0  0
C  -1.60817  -0.44839  -9.1926003  0.00024  0.00009  -0.00004  0  0
C  0.44552  2.9032409  -15.0317497  -0.00126  0.00018  0.00176  0  0
C  0.92206  -1.4599795  -13.7974863  0.00037  -0.00068  -0.00062  0  0
C  -0.96608  2.6839898  -15.2871275  -0.00038  0.0005  -0.00053  0  0
C  -0.45991  -1.7362205  -14.1077814  0.00049  -0.00099  -0.00068  0  0
C  1.1772205  4.25102  -11.7026663  -0.0009  -0.00183  -0.0009  0  0
C  -3.2726009  3.47438  -12.5686636  -0.00069  -0.00052  -0.00021  0  0
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C  -2.9469609  3.13095  -13.9207497  -0.00037  0.00078  -0.00081  0  0
C  1.76397  -0.70201  -10.3071404  -0.00108  0.00086  0.00056  0  0
C  -2.60533  -1.4215  -11.1850824  0.00057  0.00098  -0.00051  0  0
C  2.0513992  -1.00862  -11.6742296  -0.0003  -0.00023  0.00032  0  0
C  -2.2741399  -1.81023  -12.5225697  0.00032  0.00064  0.00035  0  0
bond 0 1 4.5 1.46191
bond 1 2 4.5 1.52038
bond 2 3 4.5 1.46131
bond 3 0 4.5 1.6424096
bond 0 4 4.5 1.0925
bond 0 5 4.5 1.0900404
bond 1 6 4.5 1.08787
bond 1 7 4.5 1.08962
bond 2 8 4.5 1.0893104
bond 2 9 4.5 1.0885304
bond 3 10 4.5 1.09595
bond 3 11 4.5 1.0891
bond 12 13 4.5 1.54064
bond 13 14 4.5 1.54013
bond 14 15 4.5 1.5394195
bond 12 16 4.5 1.0696994
bond 12 17 4.5 1.07068
bond 12 18 4.5 1.06932
bond 13 19 4.5 1.0703306
bond 13 20 4.5 1.0697591
bond 14 21 4.5 1.0696994
bond 14 22 4.5 1.0696691
bond 15 23 4.5 1.0697591
bond 15 24 4.5 1.0697591
bond 15 25 4.5 1.0702004
bond 26 27 4.5 1.3397893
bond 27 28 4.5 1.5306596
bond 28 29 4.5 1.3397893
bond 26 30 4.5 1.0698795
bond 26 31 4.5 1.0702904
bond 27 32 4.5 1.0696994
bond 28 33 4.5 1.0701405
bond 29 34 4.5 1.0703005
bond 29 35 4.5 1.0696994
bond 36 37 4.5 1.46191
bond 37 38 4.5 1.52038
bond 38 39 4.5 1.46131
bond 39 36 4.5 1.6424096
bond 36 40 4.5 1.0925
bond 36 41 4.5 1.0900404
bond 37 42 4.5 1.08787
bond 37 43 4.5 1.08962
bond 38 44 4.5 1.0893104
bond 38 45 4.5 1.0885304
bond 39 46 4.5 1.09595
bond 39 47 4.5 1.0891
bond 48 49 4.5 1.5390096
bond 49 50 4.5 1.5411
bond 50 51 4.5 1.5418404
bond 51 52 4.5 1.53984
bond 52 53 4.5 1.54102
bond 53 48 4.5 1.5435796
bond 48 54 4.5 1.0703306
bond 48 55 4.5 1.07046
bond 49 56 4.5 1.0705304
bond 49 57 4.5 1.0701804
bond 50 58 4.5 1.0698096
bond 50 59 4.5 1.0697693
bond 51 60 4.5 1.0703306
bond 51 61 4.5 1.0695993
bond 52 62 4.5 1.0714405
bond 52 63 4.5 1.0694993
bond 53 64 4.5 1.0696591
bond 53 65 4.5 1.0698694
bond 66 67 4.5 1.52617
bond 67 68 4.5 1.52589
bond 68 66 4.5 1.5254896
bond 66 69 4.5 1.08973
bond 66 70 4.5 1.0898
bond 67 71 4.5 1.0901304
bond 67 72 4.5 1.09008
bond 68 73 4.5 1.09041
bond 68 74 4.5 1.08988
bond 75 76 4.5 1.3397793
bond 75 77 4.5 1.0696994
bond 75 78 4.5 1.0703005
bond 76 79 4.5 1.0702904
bond 76 80 4.5 1.0698795
bond 81 82 4.5 1.54039
bond 81 83 4.5 1.07008
bond 81 84 4.5 1.06984
bond 81 85 4.5 1.06993
bond 82 86 4.5 1.0697894
bond 82 87 4.5 1.0692796
bond 82 88 4.5 1.07008
bond 89 90 4.5 1.54064
bond 90 91 4.5 1.54013
bond 91 92 4.5 1.5394195
bond 92 93 4.5 1.5391996
bond 93 94 4.5 1.5384595
bond 89 95 4.5 1.0696994
bond 89 96 4.5 1.07068
bond 89 97 4.5 1.06932
bond 90 98 4.5 1.0703306
bond 90 99 4.5 1.0697591
bond 91 100 4.5 1.0696994
bond 91 101 4.5 1.0696691
bond 92 102 4.5 1.0901104
bond 92 103 4.5 1.09052
bond 93 104 4.5 1.08908
bond 93 105 4.5 1.0900204
bond 94 106 4.5 1.08942
bond 94 107 4.5 1.08989
bond 94 108 4.5 1.0901104
bond 109 110 4.5 1.54064
bond 110 111 4.5 1.54013
bond 111 112 4.5 1.5394195
bond 112 122 4.5 1.5391996
bond 109 113 4.5 1.0696994
bond 109 114 4.5 1.07068
bond 109 115 4.5 1.06932
bond 110 116 4.5 1.0703306
bond 110 117 4.5 1.0697591
bond 111 118 4.5 1.0696994
bond 111 119 4.5 1.0696691
bond 112 120 4.5 1.0901104
bond 112 121 4.5 1.09052
bond 122 123 4.5 1.08908
bond 122 124 4.5 1.0900204
bond 122 125 4.5 1.0897
bond 126 127 4.5 1.3996196
bond 127 128 4.5 1.4
bond 128 129 4.5 1.3996196
bond 129 130 4.5 1.3996196
bond 130 131 4.5 1.4
bond 131 126 4.5 1.3996196
bond 126 132 4.5 1.08
bond 127 133 4.5 1.0806
bond 128 134 4.5 1.0806
bond 129 135 4.5 1.08
bond 130 136 4.5 1.0806
bond 131 137 4.5 1.0806
bond 138 139 4.5 1.37
bond 138 150 4.5 1.4483
bond 138 151 4.5 1.4483
bond 139 152 4.5 1.4483
bond 139 153 4.5 1.4483
bond 140 141 4.5 1.37
bond 140 154 4.5 1.4483
bond 140 155 4.5 1.4483
bond 141 156 4.5 1.4483
bond 141 157 4.5 1.4483
bond 142 143 4.5 1.37
bond 142 158 4.5 1.4483
bond 142 159 4.5 1.4483
bond 143 160 4.5 1.4483
bond 143 161 4.5 1.4483
bond 144 145 4.5 1.37
bond 144 162 4.5 1.4483
bond 144 163 4.5 1.4483
bond 145 164 4.5 1.4483
bond 145 165 4.5 1.4483
bond 146 147 4.5 1.37
bond 146 166 4.5 1.4483
bond 146 167 4.5 1.4483
bond 147 168 4.5 1.4483
bond 147 169 4.5 1.4483
bond 148 149 4.5 1.37
bond 148 170 4.5 1.4483
bond 148 171 4.5 1.4483
bond 149 172 4.5 1.4483
bond 149 173 4.5 1.4483
bond 150 174 4.5 1.3696091
bond 150 190 4.5 1.4486096
bond 151 175 4.5 1.3696091
bond 151 192 4.5 1.4486096
bond 152 176 4.5 1.3696091
bond 152 194 4.5 1.4486096
bond 153 177 4.5 1.3696091
bond 153 196 4.5 1.4486096
bond 154 178 4.5 1.3696091
bond 154 191 4.5 1.4486096
bond 155 179 4.5 1.3696091
bond 155 193 4.5 1.4486096
bond 156 180 4.5 1.3696091
bond 156 195 4.5 1.4486096
bond 157 181 4.5 1.3696091
bond 157 197 4.5 1.4486096
bond 158 174 4.5 1.4486096
bond 158 182 4.5 1.3696091
bond 159 176 4.5 1.4486096
bond 159 183 4.5 1.3696091
bond 160 178 4.5 1.4486096
bond 160 184 4.5 1.3696091
bond 161 180 4.5 1.4486096
bond 161 185 4.5 1.3696091
bond 162 175 4.5 1.4486096
bond 162 186 4.5 1.3696091
bond 163 177 4.5 1.4486096
bond 163 187 4.5 1.3696091
bond 164 179 4.5 1.4486096
bond 164 188 4.5 1.3696091
bond 165 181 4.5 1.4486096
bond 165 189 4.5 1.3696091
bond 166 182 4.5 1.4486096
bond 166 190 4.5 1.3696091
bond 167 184 4.5 1.4486096
bond 167 191 4.5 1.3696091
bond 168 186 4.5 1.4486096
bond 168 192 4.5 1.3696091
bond 169 188 4.5 1.4486096
bond 169 193 4.5 1.3696091
bond 170 183 4.5 1.4486096
bond 170 194 4.5 1.3696091
bond 171 185 4.5 1.4486096
bond 171 195 4.5 1.3696091
bond 172 187 4.5 1.4486096
bond 172 196 4.5 1.3696091
bond 173 189 4.5 1.4486096
bond 173 197 4.5 1.3696091
bond 174 176 4.5 1.448
bond 175 177 4.5 1.448
bond 178 180 4.5 1.448
bond 179 181 4.5 1.448
bond 182 184 4.5 1.448
bond 183 185 4.5 1.448
bond 186 188 4.5 1.448
bond 187 189 4.5 1.448
bond 190 192 4.5 1.448
bond 191 193 4.5 1.448
bond 194 196 4.5 1.448
bond 195 197 4.5 1.448
angle 0 1 2 50.0 1.61652
angle 1 2 3 50.0 1.60685
angle 2 3 0 50.0 1.53307
angle 3 0 1 50.0 1.5233904
angle 4 0 5 50.0 1.9176304
angle 6 1 7 50.0 1.9558305
angle 8 2 9 50.0 1.9855604
angle 9 3 11 50.0 1.4695591
angle 1 0 4 50.0 1.8156499
angle 1 0 5 50.0 1.89811
angle 3 0 4 50.0 2.1042991
angle 3 0 5 50.0 2.1148992
angle 0 1 6 50.0 2.0111299
angle 0 1 7 50.0 1.89642
angle 2 1 6 50.0 2.00897
angle 2 1 7 50.0 1.9487205
angle 1 2 8 50.0 1.96078
angle 1 2 9 50.0 1.9785504
angle 3 2 8 50.0 1.8986499
angle 3 2 9 50.0 2.0002601
angle 2 3 10 50.0 1.83871
angle 2 3 11 50.0 1.9451904
angle 0 3 10 50.0 2.101109
angle 0 3 11 50.0 2.1475599
angle 12 13 14 50.0 1.9111505
angle 13 14 15 50.0 1.9112107
angle 16 12 17 50.0 1.9108704
angle 17 12 18 50.0 1.9100406
angle 18 12 16 50.0 1.9111207
angle 13 12 16 50.0 1.9104
angle 13 12 17 50.0 1.91056
angle 13 12 18 50.0 1.9108005
angle 23 15 24 50.0 1.91041
angle 24 15 25 50.0 1.9096304
angle 25 15 23 50.0 1.91006
angle 14 15 23 50.0 1.9109406
angle 14 15 24 50.0 1.9112006
angle 14 15 25 50.0 1.9115604
angle 19 13 20 50.0 1.9106104
angle 21 14 22 50.0 1.9104204
angle 12 13 19 50.0 1.9099405
angle 12 13 20 50.0 1.9116306
angle 13 14 21 50.0 1.9103006
angle 13 14 22 50.0 1.9108205
angle 14 13 19 50.0 1.91005
angle 14 13 20 50.0 1.9104304
angle 15 14 21 50.0 1.9107704
angle 15 14 22 50.0 1.9102805
angle 30 26 31 50.0 2.09396
angle 27 26 30 50.0 2.09552
angle 27 26 31 50.0 2.0936999
angle 26 27 28 50.0 2.0938399
angle 26 27 32 50.0 2.0948596
angle 32 27 28 50.0 2.09448
angle 27 28 33 50.0 2.0936801
angle 27 28 29 50.0 2.0938399
angle 33 28 29 50.0 2.0956709
angle 28 29 34 50.0 2.0936999
angle 28 29 35 50.0 2.0948596
angle 34 29 35 50.0 2.09463
angle 36 37 38 50.0 1.61652
angle 37 38 39 50.0 1.60685
angle 38 39 36 50.0 1.53307
angle 39 36 37 50.0 1.5233904
angle 40 36 41 50.0 1.9176304
angle 42 37 43 50.0 1.9558305
angle 44 38 45 50.0 1.9855604
angle 45 39 47 50.0 1.4695591
angle 37 36 40 50.0 1.8156499
angle 37 36 41 50.0 1.89811
angle 39 36 40 50.0 2.1042991
angle 39 36 41 50.0 2.1148992
angle 36 37 42 50.0 2.0111299
angle 36 37 43 50.0 1.89642
angle 38 37 42 50.0 2.00897
angle 38 37 43 50.0 1.9487205
angle 37 38 44 50.0 1.96078
angle 37 38 45 50.0 1.9785504
angle 39 38 44 50.0 1.8986499
angle 39 38 45 50.0 2.0002601
angle 38 39 46 50.0 1.83871
angle 38 39 47 50.0 1.9451904
angle 36 39 46 50.0 2.101109
angle 36 39 47 50.0 2.1475599
angle 48 49 50 50.0 1.9112308
angle 49 50 51 50.0 1.9123805
angle 50 51 52 50.0 1.90978
angle 51 52 53 50.0 1.91076
angle 52 53 48 50.0 1.9122205
angle 53 48 49 50.0 1.91005
angle 54 48 55 50.0 1.9090104
angle 56 49 57 50.0 1.9099004
angle 58 50 59 50.0 1.9111505
angle 60 51 61 50.0 1.9091405
angle 62 52 63 50.0 1.90961
angle 64 53 65 50.0 1.9109105
angle 53 48 54 50.0 1.9133906
angle 53 48 55 50.0 1.9085405
angle 49 48 54 50.0 1.9111006
angle 49 48 55 50.0 1.9117206
angle 48 49 56 50.0 1.9109604
angle 48 49 57 50.0 1.9122406
angle 50 49 56 50.0 1.9109306
angle 50 49 57 50.0 1.9085405
angle 49 50 58 50.0 1.9119107
angle 49 50 59 50.0 1.91058
angle 51 50 58 50.0 1.9085305
angle 51 50 59 50.0 1.90925
angle 50 51 60 50.0 1.9129406
angle 50 51 61 50.0 1.91048
angle 52 51 60 50.0 1.9101205
angle 52 51 61 50.0 1.911341
angle 51 52 62 50.0 1.90965
angle 51 52 63 50.0 1.91208
angle 53 52 62 50.0 1.9119207
angle 53 52 63 50.0 1.90977
angle 52 53 64 50.0 1.9104204
angle 52 53 65 50.0 1.91055
angle 48 53 64 50.0 1.9107004
angle 48 53 65 50.0 1.909
angle 66 67 68 50.0 1.04679
angle 69 66 70 50.0 2.0969801
angle 71 67 72 50.0 2.0973799
angle 73 68 74 50.0 2.09583
angle 67 66 69 50.0 2.0167201
angle 67 66 70 50.0 2.0171399
angle 68 66 69 50.0 2.0181196
angle 68 66 70 50.0 2.0181897
angle 66 67 71 50.0 2.01753
angle 66 67 72 50.0 2.01805
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angle 68 67 72 50.0 2.01703
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angle 66 68 73 50.0 2.0178699
angle 66 68 74 50.0 2.01774
angle 76 75 77 50.0 2.0941191
angle 76 75 78 50.0 2.0947099
angle 75 76 79 50.0 2.09444
angle 75 76 80 50.0 2.0947897
angle 83 81 84 50.0 1.9101504
angle 84 81 85 50.0 1.9098904
angle 85 81 83 50.0 1.90985
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angle 82 81 84 50.0 1.9119006
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angle 92 93 94 50.0 1.9114004
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angle 91 90 98 50.0 1.91005
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angle 91 92 103 50.0 1.9112806
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angle 92 93 105 50.0 1.9101205
angle 104 93 105 50.0 1.9103605
angle 94 93 104 50.0 1.9106004
angle 94 93 105 50.0 1.9103705
angle 93 94 106 50.0 1.9118106
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angle 93 94 108 50.0 1.91146
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angle 111 112 121 50.0 1.9112806
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angle 124 122 112 50.0 1.9101205
angle 123 122 124 50.0 1.9103605
angle 124 122 125 50.0 1.90976
angle 125 122 123 50.0 1.91146
angle 126 127 128 50.0 2.0945499
angle 127 128 129 50.0 2.0945499
angle 128 129 130 50.0 2.09408
angle 129 130 131 50.0 2.0945499
angle 130 131 126 50.0 2.0945499
angle 131 126 127 50.0 2.09408
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angle 127 128 134 50.0 2.09407
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angle 129 130 136 50.0 2.0945599
angle 130 131 137 50.0 2.09407
angle 131 126 132 50.0 2.0945499
angle 138 139 152 50.0 2.09428
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angle 174 150 138 50.0 2.0943499
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angle 138 139 153 50.0 2.09428
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angle 153 177 175 50.0 2.0945599
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angle 175 151 138 50.0 2.0943499
angle 151 138 139 50.0 2.09428
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angle 175 162 186 50.0 2.0949399
angle 162 186 168 50.0 2.0938499
angle 186 168 192 50.0 2.0949399
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angle 192 151 175 50.0 2.0949399
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angle 187 163 144 50.0 2.0943499
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angle 172 187 163 50.0 2.0938499
angle 187 163 177 50.0 2.0949399
angle 163 177 153 50.0 2.0938499
angle 177 153 196 50.0 2.0949399
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angle 148 149 173 50.0 2.09428
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angle 197 195 171 50.0 2.0945599
angle 195 171 148 50.0 2.0943499
angle 171 148 149 50.0 2.09428
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angle 161 185 171 50.0 2.0938499
angle 185 171 195 50.0 2.0949399
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angle 195 156 180 50.0 2.0949399
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angle 143 161 185 50.0 2.0943499
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angle 183 159 142 50.0 2.0943499
angle 159 142 143 50.0 2.09428
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angle 174 158 182 50.0 2.0949399
angle 158 182 166 50.0 2.0938499
angle 182 166 190 50.0 2.0949399
angle 166 190 150 50.0 2.0938499
angle 190 150 174 50.0 2.0949399
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angle 194 170 183 50.0 2.0949399
angle 170 183 159 50.0 2.0938499
angle 183 159 176 50.0 2.0949399
angle 159 176 152 50.0 2.0938499
angle 176 152 194 50.0 2.0949399
angle 146 147 168 50.0 2.09428
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angle 192 190 166 50.0 2.0945599
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angle 169 193 191 50.0 2.0945599
angle 193 191 167 50.0 2.0945599
angle 191 167 146 50.0 2.0943499
angle 167 146 147 50.0 2.09428
angle 154 191 167 50.0 2.0938499
angle 191 167 184 50.0 2.0949399
angle 167 184 160 50.0 2.0938499
angle 184 160 178 50.0 2.0949399
angle 160 178 154 50.0 2.0938499
angle 178 154 191 50.0 2.0949399
angle 155 193 169 50.0 2.0938499
angle 193 169 188 50.0 2.0949399
angle 169 188 164 50.0 2.0938499
angle 188 164 179 50.0 2.0949399
angle 164 179 155 50.0 2.0938499
angle 179 155 193 50.0 2.0949399
angle 140 141 157 50.0 2.09428
angle 141 157 181 50.0 2.0943499
angle 157 181 179 50.0 2.0945599
angle 181 179 155 50.0 2.0945599
angle 179 155 140 50.0 2.0943499
angle 155 140 141 50.0 2.09428
angle 157 181 165 50.0 2.0938499
angle 181 165 189 50.0 2.0949399
angle 165 189 173 50.0 2.0938499
angle 189 173 197 50.0 2.0949399
angle 173 197 157 50.0 2.0938499
angle 197 157 181 50.0 2.0949399
angle 142 143 160 50.0 2.09428
angle 143 160 184 50.0 2.0943499
angle 160 184 182 50.0 2.0945599
angle 184 182 158 50.0 2.0945599
angle 182 158 142 50.0 2.0943499
angle 158 142 143 50.0 2.09428
torsion 12 13 14 15 0.1 3.141129
torsion 12 13 14 21 0.02 1.2311904
torsion 12 13 14 22 0.02 1.23089
torsion 15 14 13 19 0.02 1.2312905
torsion 15 14 13 20 0.02 1.2303904
torsion 13 14 15 23 0.02 3.1412699
torsion 13 14 15 24 0.02 1.2311704
torsion 13 14 15 25 0.02 1.2318205
torsion 14 13 12 16 0.02 1.2312905
torsion 14 13 12 17 0.02 3.1409199
torsion 14 13 12 18 0.02 1.23157
torsion 26 27 28 29 0.5 3.1415896
torsion 26 27 28 33 0.5 1.04593
torsion 29 28 27 32 0.5 1.04673
torsion 30 26 27 28 0.5 1.0477796
torsion 31 26 27 28 0.5 3.1410396
torsion 27 28 29 34 0.5 3.1410396
torsion 27 28 29 35 0.5 1.04711
torsion 32 27 28 33 0.5 3.1407499
torsion 77 75 76 79 0.5 1.04696
torsion 77 75 76 80 0.5 3.14028
torsion 78 75 76 79 0.5 3.14066
torsion 78 75 76 80 0.5 1.0479
torsion 85 81 82 86 0.02 3.1406701
torsion 84 81 82 87 0.02 3.1408091
torsion 83 81 82 88 0.02 3.1415896
torsion 89 90 91 92 0.1 3.141129
torsion 90 91 92 93 0.1 3.1413496
torsion 91 92 93 94 0.1 3.1414299
torsion 91 90 89 95 0.02 1.2312905
torsion 92 93 94 106 0.02 3.1405897
torsion 109 110 111 112 0.1 3.141129
torsion 110 111 112 122 0.1 3.1413496
torsion 113 109 110 111 0.02 1.2312905
torsion 111 112 122 123 0.02 1.23115
torsion 126 127 128 134 1.0 3.141119
torsion 127 128 129 135 1.0 3.1415896
torsion 128 129 130 136 1.0 3.141119
torsion 129 130 131 137 1.0 3.141119
torsion 130 131 126 132 1.0 3.1415896
torsion 131 126 127 133 1.0 3.141119
torsion 138 139 152 194 1.0 2.51333
torsion 138 139 153 196 1.0 2.51333
torsion 139 138 150 190 1.0 2.51333
torsion 139 138 151 192 1.0 2.51333
torsion 140 141 156 195 1.0 2.51333
torsion 140 141 157 197 1.0 2.51333
torsion 141 140 154 191 1.0 2.51333
torsion 141 140 155 193 1.0 2.51333
torsion 142 143 160 178 1.0 2.51333
torsion 142 143 161 180 1.0 2.51333
torsion 143 142 158 174 1.0 2.51333
torsion 143 142 159 176 1.0 2.51333
torsion 144 145 164 179 1.0 2.51333
torsion 144 145 165 181 1.0 2.51333
torsion 145 144 162 175 1.0 2.51333
torsion 145 144 163 177 1.0 2.51333
torsion 146 147 168 186 1.0 2.51333
torsion 146 147 169 188 1.0 2.51333
torsion 147 146 166 182 1.0 2.51333
torsion 147 146 167 184 1.0 2.51333
torsion 148 149 172 187 1.0 2.51333
torsion 148 149 173 189 1.0 2.51333
torsion 149 148 170 183 1.0 2.51333
torsion 149 148 171 185 1.0 2.51333
torsion 182 184 160 178 1.0 2.51333
torsion 182 184 167 191 1.0 2.5132301
torsion 184 182 158 174 1.0 2.51333
torsion 184 182 166 190 1.0 2.5132301
torsion 183 185 161 180 1.0 2.51333
torsion 183 185 171 195 1.0 2.5132301
torsion 185 183 159 176 1.0 2.51333
torsion 185 183 170 194 1.0 2.5132301
torsion 186 188 164 179 1.0 2.51333
torsion 186 188 169 193 1.0 2.5132301
torsion 188 186 162 175 1.0 2.51333
torsion 188 186 168 192 1.0 2.5132301
torsion 187 189 165 181 1.0 2.51333
torsion 187 189 173 197 1.0 2.5132301
torsion 189 187 163 177 1.0 2.51333
torsion 189 187 172 196 1.0 2.5132301
torsion 152 176 174 150 1.0 1.0475296
torsion 151 175 177 153 1.0 1.0475296
torsion 154 178 180 156 1.0 1.0475296
torsion 155 179 181 157 1.0 1.0475296
torsion 190 192 151 175 1.0 2.5132301
torsion 190 192 168 186 1.0 2.51333
torsion 192 190 150 174 1.0 2.5132301
torsion 192 190 166 182 1.0 2.51333
torsion 191 193 169 188 1.0 2.51333
torsion 191 193 155 179 1.0 2.5132301
torsion 193 191 167 184 1.0 2.51333
torsion 193 191 154 178 1.0 2.5132301
torsion 194 196 172 187 1.0 2.51333
torsion 194 196 153 177 1.0 2.5132301
torsion 196 194 170 183 1.0 2.51333
torsion 196 194 152 176 1.0 2.5132301
torsion 195 197 157 181 1.0 2.5132301
torsion 195 197 173 189 1.0 2.51333
torsion 197 195 156 180 1.0 2.5132301
torsion 197 195 171 185 1.0 2.51333
