119
#forces [91 95 19] --- created by Molecular Workbench, http://mw.concord.org
O  10.72788  0.11639  -6.051  -0.00123  0.00073  -0.00038  0
H  11.28244  -0.50857  -5.65436  -0.01786  -0.01484  -0.01706  0
H  10.85217  0.08691  -6.99535  0.03429  -0.02207  0.02754  0
O  0.71163  -6.92859  -7.29929  -0.0005  0.00204  0.00036  0
H  1.6888  -7.14106  -7.19977  -0.02766  0.01885  0.0026  0
H  0.58184  -6.13818  -7.76818  -0.00976  0.01508  -0.00875  0
O  7.5557  -4.89864  9.17654  -0.00068  0.00162  0.00411  0
H  7.40105  -5.89777  9.10484  0.00481  0.00378  -0.00906  0
H  7.82283  -4.55524  8.37727  -0.00544  -0.00754  -0.01572  0
O  15.89321  3.73556  -4.03673  -0.00182  -0.00246  -0.00199  0
H  15.5721  4.16791  -4.93393  0.00031  -0.02144  0.01563  0
H  16.30132  2.95418  -4.20796  0.01798  0.01577  -0.02825  0
O  -12.47732  -7.64205  5.94476  -0.00071  0.00499  -0.00053  0
H  -12.17827  -7.74235  4.99309  0.00761  0.00384  -0.00543  0
H  -12.03559  -8.31559  6.51593  -0.00206  0.00498  -0.00118  0
O  -8.61014  -1.59477  4.79147  -0.00018  0.00301  -0.00269  0
H  -8.06173  -1.98491  4.02396  0.00492  -0.00405  -0.00157  0
H  -9.35862  -0.99386  4.40792  -0.02178  -0.00703  0.00498  0
O  5.38568  4.45972  -6.9959  -0.00514  -0.00014  -0.00238  0
H  5.37423  4.89857  -7.76096  0.00847  0.02872  -0.01157  0
H  5.60012  3.54725  -7.15479  0.0169  0.02421  0.00814  0
O  6.40225  -0.75911  0.70598  -0.00015  0.00203  0.00198  0
H  6.1074  -1.05631  1.69279  0.01121  -0.00097  -0.00654  0
H  7.37865  -1.01453  0.54872  -0.00863  0.01204  0.00717  0
O  -8.1898  -2.21557  -6.7424  -0.00129  -0.00091  0.0004  0
H  -7.27334  -2.58936  -7.14184  0.01212  -0.00447  -0.01465  0
H  -8.70226  -2.98442  -6.34029  -0.00997  0.00607  -0.02073  0
C  12.99166  8.42778  -0.19759  0.00104  0.00208  0.00951  0
H  13.33642  8.44756  -1.27593  0.01138  -0.02835  -0.00409  0
H  12.0997  8.96445  -0.10449  0.01438  -0.02628  -0.00237  0
H  12.86678  7.48469  0.11493  0.01587  0.0073  0.03996  0
H  13.81701  8.94452  0.47031  -0.00672  -0.01189  -0.00609  0
C  -1.77649  -5.34943  5.73486  -0.00111  -0.007  0.00252  0
H  -2.18822  -5.86988  4.8135  0.00674  0.00117  0.00565  0
H  -1.70083  -4.28823  5.51314  0.00463  0.00464  -0.00613  0
H  -2.43374  -5.50256  6.57503  -0.00868  0.00013  0.00704  0
H  -0.8275  -5.74425  5.97282  0.01718  0.01253  0.00008  0
C  10.93443  2.81363  -5.54035  0.00049  0.00473  -0.00227  0
H  10.32646  1.9082  -5.44998  0.01363  0.02717  -0.00573  0
H  10.94883  3.33062  -4.62623  0.01589  0.00509  -0.01577  0
H  11.86183  2.56784  -5.79854  0.01679  -0.01677  -0.02742  0
H  10.53073  3.40092  -6.2523  0.01016  0.01689  -0.02125  0
C  -0.7294  -3.49149  2.95866  -0.00242  -0.00298  -0.00209  0
H  -1.04214  -3.33881  3.88345  -0.0233  -0.02112  0.01246  0
H  -0.99445  -4.48535  2.63109  -0.0026  -0.0033  -0.00262  0
H  -1.2048  -2.76742  2.3082  0.00871  -0.01212  0.00044  0
H  0.33109  -3.36959  2.90398  0.00152  0.00931  -0.00828  0
C  13.36294  1.32806  2.47981  -0.00306  -0.00004  0.00263  0
H  12.49568  0.71441  2.38302  0.01981  0.00831  -0.00247  0
H  14.28005  0.79181  2.01421  0.01674  0.00986  0.00584  0
H  13.17402  2.27145  1.93809  0.00533  -0.01829  0.00196  0
H  13.55175  1.5427  3.48864  0.02043  -0.00266  0.01372  0
C  -4.74117  4.63787  1.00805  -0.00118  0.00373  -0.00225  0
C  -4.68504  5.63607  2.17142  0.00616  0.00191  0.00326  0
H  -5.37247  5.04221  0.19458  -0.01171  0.00883  -0.00568  0
H  -3.84311  4.49296  0.6771  0.01674  -0.00599  -0.01581  0
H  -5.14425  3.71738  1.33736  0.01408  0.01557  0.00893  0
H  -3.89015  6.41612  1.95651  0.01173  0.01587  0.00279  0
H  -5.57463  6.0675  2.28224  -0.00778  0.01299  -0.01621  0
H  -4.44507  5.08393  3.08795  0.019  0.01747  -0.00567  0
C  -12.80894  8.25752  -0.09205  -0.0016  -0.00413  -0.00316  0
C  -11.55444  7.37111  -0.38067  -0.00237  -0.00015  0.00381  0
H  -12.45807  9.21825  0.31719  0.00001  -0.00616  -0.00262  0
H  -13.38724  8.436  -1.03212  -0.01851  -0.01381  0.0225  0
H  -13.43371  7.79374  0.61899  0.00838  0.00106  -0.00254  0
H  -11.56436  7.07042  -1.4001  -0.00987  0.01103  0.00084  0
H  -10.63062  7.94633  -0.20302  -0.00324  0.00617  0.00335  0
H  -11.56728  6.4994  0.25116  0.00125  0.01061  -0.00537  0
C  15.38608  -1.41231  -1.67758  0.00126  -0.00279  0.00042  0
C  14.19589  -2.00583  -1.78104  -0.0004  -0.00241  -0.00005  0
H  15.52882  -0.37633  -2.13604  0.00809  0.00733  0.0108  0
H  16.19338  -1.92411  -1.18914  -0.00321  -0.00042  -0.00859  0
H  13.3985  -1.54327  -2.39864  -0.00293  0.00241  -0.00349  0
H  14.07593  -3.07253  -1.39069  0.0137  -0.01377  0.00306  0
C  -1.68692  -7.02499  -1.55588  -0.0008  0.00237  -0.0089  0
C  -0.38561  -7.15655  -1.33083  0.00142  0.00154  -0.00345  0
H  -2.42202  -7.59081  -0.93738  -0.01524  0.00821  0.00452  0
H  -2.0191  -6.28013  -2.25049  0.00415  -0.00349  0.00124  0
H  0.05206  -8.14378  -0.9357  -0.01076  0.00323  0.01139  0
H  0.36373  -6.70971  -2.00814  0.02451  -0.00055  -0.0063  0
C  14.00485  -0.12219  -8.13649  0.00188  0.00414  0.0018  0
C  13.09701  0.35145  -7.27277  0.00331  0.00167  -0.00161  0
H  14.14647  -1.19587  -8.22081  0.00514  -0.00619  -0.00988  0
H  14.69675  0.53121  -8.59089  0.00683  0.00991  0.01303  0
H  12.42748  -0.33366  -6.74488  -0.00124  -0.0085  0.01029  0
H  12.98252  1.39893  -7.1791  -0.01064  -0.00272  -0.00552  0
H  -16.98575  -6.37661  0.61929  -0.00593  -0.00792  0.01221  0
C  -16.20807  -6.48659  -0.19013  0.00249  0.0031  -0.00319  0
H  -16.44789  -7.27693  -0.70355  -0.00381  0.01332  -0.0034  0
C  -14.82561  -6.60135  0.37407  0.00271  -0.00244  0.00431  0
O  -13.98745  -5.49876  0.0741  0.00266  0.00424  -0.00003  0
H  -14.35509  -7.50844  0.06433  -0.00517  0.00259  -0.02147  0
H  -14.01544  -5.39623  -0.8321  -0.00203  -0.00026  0.00863  0
H  -14.83867  -6.61886  1.44425  0.0029  -0.01231  0.02295  0
H  -16.28929  -5.61675  -0.8768  0.00592  0.00254  0.00764  0
O  14.5213  8.98997  -5.51036  0.00098  -0.00137  0.00324  0
H  13.59981  8.85247  -5.7313  -0.00972  0.00201  -0.00977  0
H  14.87836  9.70034  -6.02621  0.01204  -0.00027  -0.00888  0
O  10.8047  6.14457  -4.50162  0.00085  0.00358  -0.00192  0
H  11.22875  5.3677  -4.98112  -0.00436  -0.01065  0.02235  0
H  9.85849  5.99594  -4.40822  -0.00499  -0.00813  0.00548  0
O  4.63493  1.52674  6.83737  -0.00194  -0.00181  -0.00305  0
H  5.26064  2.26614  6.72818  -0.00894  -0.00052  0.005  0
H  4.10384  1.47504  6.0599  0.0208  -0.01178  -0.00775  0
O  2.88117  0.34301  4.3783  -0.00538  -0.00465  -0.00427  0
H  3.01197  -0.52028  4.91888  -0.00789  -0.01212  -0.00572  0
H  3.5656  0.91376  4.54725  0.00237  -0.0011  -0.00512  0
O  -5.41826  1.39808  1.81592  -0.00335  -0.00572  -0.00365  0
H  -5.74677  1.22683  2.65583  0.00274  0.00907  -0.0127  0
H  -6.03497  1.07558  1.17306  0.00816  0.00828  -0.004  0
O  -2.91987  -2.4547  7.72975  0.00053  0.00138  -0.00001  0
H  -3.76839  -2.93655  7.87538  0.00025  -0.00234  0.00205  0
H  -2.23794  -3.08448  7.47855  0.00685  0.00403  0.00126  0
O  -4.47696  2.60065  -5.7121  0.00654  -0.00263  0.00443  0
H  -4.13243  2.70494  -4.8833  -0.00308  0.01605  -0.01583  0
H  -4.3945  1.74367  -5.95726  -0.00045  0.00307  0.00079  0
O  9.432  5.67546  -0.06877  -0.00301  0.00224  -0.00107  0
H  8.55594  5.93521  0.42991  -0.02367  0.00469  -0.00684  0
H  9.79283  6.43289  -0.48834  0.01321  -0.01339  0.0122  0
bond 0 1 4.5 0.96014
bond 0 2 4.5 0.95993
bond 3 4 4.5 0.96014
bond 3 5 4.5 0.95993
bond 6 7 4.5 0.96014
bond 6 8 4.5 0.95993
bond 9 10 4.5 0.96014
bond 9 11 4.5 0.95993
bond 12 13 4.5 0.96014
bond 12 14 4.5 0.95993
bond 15 16 4.5 0.96014
bond 15 17 4.5 0.95993
bond 18 19 4.5 0.96014
bond 18 20 4.5 0.95993
bond 21 22 4.5 0.96014
bond 21 23 4.5 0.95993
bond 24 25 4.5 0.96014
bond 24 26 4.5 0.95993
bond 27 28 4.5 1.07054
bond 27 29 4.5 1.07082
bond 27 30 4.5 1.06935
bond 27 31 4.5 1.07043
bond 32 33 4.5 1.07054
bond 32 34 4.5 1.07082
bond 32 35 4.5 1.06935
bond 32 36 4.5 1.07043
bond 37 38 4.5 1.07054
bond 37 39 4.5 1.07082
bond 37 40 4.5 1.06935
bond 37 41 4.5 1.07043
bond 42 43 4.5 1.07054
bond 42 44 4.5 1.07082
bond 42 45 4.5 1.06935
bond 42 46 4.5 1.07043
bond 47 48 4.5 1.07054
bond 47 49 4.5 1.07082
bond 47 50 4.5 1.06935
bond 47 51 4.5 1.07043
bond 52 53 4.5 1.54039
bond 52 54 4.5 1.07008
bond 52 55 4.5 1.06984
bond 52 56 4.5 1.06993
bond 53 57 4.5 1.06979
bond 53 58 4.5 1.06928
bond 53 59 4.5 1.07008
bond 60 61 4.5 1.54039
bond 60 62 4.5 1.07008
bond 60 63 4.5 1.06984
bond 60 64 4.5 1.06993
bond 61 65 4.5 1.06979
bond 61 66 4.5 1.06928
bond 61 67 4.5 1.07008
bond 68 69 4.5 1.33978
bond 68 70 4.5 1.0697
bond 68 71 4.5 1.0703
bond 69 72 4.5 1.07029
bond 69 73 4.5 1.06988
bond 74 75 4.5 1.33978
bond 74 76 4.5 1.0697
bond 74 77 4.5 1.0703
bond 75 78 4.5 1.07029
bond 75 79 4.5 1.06988
bond 80 81 4.5 1.33978
bond 80 82 4.5 1.0697
bond 80 83 4.5 1.0703
bond 81 84 4.5 1.07029
bond 81 85 4.5 1.06988
bond 86 87 4.5 1.09494
bond 87 89 4.5 1.51387
bond 89 90 4.5 1.42962
bond 88 87 4.5 1.09289
bond 94 87 4.5 1.08573
bond 89 91 4.5 1.0964
bond 89 93 4.5 1.0849
bond 90 92 4.5 0.97969
bond 95 96 4.5 0.96014
bond 95 97 4.5 0.95993
bond 98 99 4.5 0.96014
bond 98 100 4.5 0.95993
bond 101 102 4.5 0.96014
bond 101 103 4.5 0.95993
bond 104 105 4.5 0.96014
bond 104 106 4.5 0.95993
bond 107 108 4.5 0.96014
bond 107 109 4.5 0.95993
bond 110 111 4.5 0.96014
bond 110 112 4.5 0.95993
bond 113 114 4.5 0.96014
bond 113 115 4.5 0.95993
bond 116 117 4.5 0.96014
bond 116 118 4.5 0.95993
angle 1 0 2 50.0 1.91085
angle 4 3 5 50.0 1.91085
angle 7 6 8 50.0 1.91085
angle 10 9 11 50.0 1.91085
angle 13 12 14 50.0 1.91085
angle 16 15 17 50.0 1.91085
angle 19 18 20 50.0 1.91085
angle 22 21 23 50.0 1.91085
angle 25 24 26 50.0 1.91085
angle 28 27 29 50.0 1.91087
angle 29 27 30 50.0 1.90829
angle 30 27 31 50.0 1.90931
angle 31 27 28 50.0 1.91186
angle 28 27 30 50.0 1.91278
angle 29 27 31 50.0 1.91069
angle 33 32 34 50.0 1.91087
angle 34 32 35 50.0 1.90829
angle 35 32 36 50.0 1.90931
angle 36 32 33 50.0 1.91186
angle 33 32 35 50.0 1.91278
angle 34 32 36 50.0 1.91069
angle 38 37 39 50.0 1.91087
angle 39 37 40 50.0 1.90829
angle 40 37 41 50.0 1.90931
angle 41 37 38 50.0 1.91186
angle 38 37 40 50.0 1.91278
angle 39 37 41 50.0 1.91069
angle 43 42 44 50.0 1.91087
angle 44 42 45 50.0 1.90829
angle 45 42 46 50.0 1.90931
angle 46 42 43 50.0 1.91186
angle 43 42 45 50.0 1.91278
angle 44 42 46 50.0 1.91069
angle 48 47 49 50.0 1.91087
angle 49 47 50 50.0 1.90829
angle 50 47 51 50.0 1.90931
angle 51 47 48 50.0 1.91186
angle 48 47 50 50.0 1.91278
angle 49 47 51 50.0 1.91069
angle 54 52 55 50.0 1.91015
angle 55 52 56 50.0 1.90989
angle 56 52 54 50.0 1.90985
angle 57 53 58 50.0 1.9108
angle 58 53 59 50.0 1.91061
angle 59 53 57 50.0 1.91016
angle 53 52 54 50.0 1.91093
angle 53 52 55 50.0 1.9119
angle 53 52 56 50.0 1.91109
angle 52 53 57 50.0 1.91017
angle 52 53 58 50.0 1.91112
angle 52 53 59 50.0 1.91093
angle 62 60 63 50.0 1.91015
angle 63 60 64 50.0 1.90989
angle 64 60 62 50.0 1.90985
angle 65 61 66 50.0 1.9108
angle 66 61 67 50.0 1.91061
angle 67 61 65 50.0 1.91016
angle 61 60 62 50.0 1.91093
angle 61 60 63 50.0 1.9119
angle 61 60 64 50.0 1.91109
angle 60 61 65 50.0 1.91017
angle 60 61 66 50.0 1.91112
angle 60 61 67 50.0 1.91093
angle 69 68 70 50.0 2.09412
angle 69 68 71 50.0 2.09471
angle 68 69 72 50.0 2.09444
angle 68 69 73 50.0 2.09479
angle 75 74 76 50.0 2.09412
angle 75 74 77 50.0 2.09471
angle 74 75 78 50.0 2.09444
angle 74 75 79 50.0 2.09479
angle 81 80 82 50.0 2.09412
angle 81 80 83 50.0 2.09471
angle 80 81 84 50.0 2.09444
angle 80 81 85 50.0 2.09479
angle 86 87 88 50.0 1.87409
angle 86 87 94 50.0 1.89562
angle 88 87 94 50.0 1.89537
angle 86 87 89 50.0 1.93865
angle 88 87 89 50.0 1.93996
angle 94 87 89 50.0 1.91872
angle 87 89 91 50.0 1.93362
angle 87 89 93 50.0 1.93479
angle 91 89 93 50.0 1.8736
angle 90 89 91 50.0 1.93171
angle 90 89 93 50.0 1.82784
angle 92 90 89 50.0 1.86855
angle 96 95 97 50.0 1.91085
angle 99 98 100 50.0 1.91085
angle 102 101 103 50.0 1.91085
angle 105 104 106 50.0 1.91085
angle 108 107 109 50.0 1.91085
angle 111 110 112 50.0 1.91085
angle 114 113 115 50.0 1.91085
angle 117 116 118 50.0 1.91085
torsion 56 52 53 57 0.02 3.14067
torsion 55 52 53 58 0.02 3.14081
torsion 54 52 53 59 0.02 3.14159
torsion 64 60 61 65 0.02 3.14067
torsion 63 60 61 66 0.02 3.14081
torsion 62 60 61 67 0.02 3.14159
torsion 70 68 69 72 0.5 1.04696
torsion 70 68 69 73 0.5 3.14028
torsion 71 68 69 72 0.5 3.14066
torsion 71 68 69 73 0.5 1.0479
torsion 76 74 75 78 0.5 1.04696
torsion 76 74 75 79 0.5 3.14028
torsion 77 74 75 78 0.5 3.14066
torsion 77 74 75 79 0.5 1.0479
torsion 82 80 81 84 0.5 1.04696
torsion 82 80 81 85 0.5 3.14028
torsion 83 80 81 84 0.5 3.14066
torsion 83 80 81 85 0.5 1.0479
torsion 92 90 89 87 1.0 1.27883
