190
#symbol   rx   ry   rz   vx   vy   vz   charge   damp   ---  Molecular Workbench
Ne  -18.4730301  -19.6374149  -17.8778858  -0.01011  -0.00295  -0.00367  0  0
Ne  -30.5327454  -9.3971214  -21.725359  0.00211  0.01161  0.00919  0  0
Ne  -13.3199701  -5.0058517  15.0656404  0.00453  0.0089  -0.00616  0  0
Ne  -18.1513252  18.2993069  -21.4461308  0.01543  -0.00263  -0.00847  0  0
Ne  16.6361904  23.374321  16.23806  -0.00571  -0.00458  -0.00597  0  0
Ne  -35.0664406  -12.7777023  -5.2081599  0.00752  -0.00709  -0.00534  0  0
Ne  3.4820611  0.0643  12.8373499  -0.00084  -0.00023  0.00829  0  0
Ne  41.4426308  -11.7237644  -15.8592834  -0.011  0.00216  0.008  0  0
Ne  -38.6241112  23.5046329  -21.8839493  0.00258  0.01026  0.01184  0  0
Ne  -33.2053299  10.6794825  -1.1965804  0.00244  -0.00484  -0.00421  0  0
Ne  -33.9660301  -19.2378597  -5.7276173  0.00408  -0.00954  0.0057  0  0
Ne  -11.9133701  3.07549  -5.3489199  -0.00718  -0.00928  0.00293  0  0
Ne  31.258955  9.2677097  -4.9854407  0.00533  0.01238  0.00171  0  0
Ne  22.0310307  18.3042164  -5.2806373  -0.00654  -0.00016  0.00536  0  0
Ne  8.4531298  -15.1154499  -22.2651443  0.00497  0.0004  -0.0025  0  0
Ne  -20.168951  -16.8927593  -9.2480402  0.00163  -0.001  -0.00166  0  0
Ne  -2.3175399  -4.2525902  -4.0058827  -0.00496  0.01208  0.01139  0  0
Ne  -24.844883  -0.49477  3.1022401  0.00397  0.00292  -0.00228  0  0
Ne  20.8122749  -6.6943502  17.0928001  0.00846  0.00304  0.00492  0  0
Ne  46.9932365  13.7376022  -20.2584496  -0.00325  -0.00641  -0.01284  0  0
Ne  5.2424698  -0.07582  -6.6528101  -0.00204  0.00156  0.00301  0  0
Ne  35.1034317  8.6821499  -6.4358139  0.00696  0.00021  -0.00393  0  0
Ne  -31.5301895  11.3452024  7.1551437  -0.00681  0.01714  0.01536  0  0
Ne  28.5159302  21.7694206  19.781105  0.00537  0.01002  0.0001  0  0
Ne  -41.6780167  12.6328897  -11.63309  -0.00871  0.00862  0.00325  0  0
Ne  4.2488499  14.9000025  -2.4537201  0.00456  0.00491  -0.01071  0  0
Ne  -10.5168896  9.9507132  -4.7633562  -0.00312  -0.00051  -0.0063  0  0
Ne  32.636322  -5.9648232  -1.3791591  0.00047  -0.00181  0.007  0  0
Ne  33.0692177  -5.8527822  -17.0788536  -0.00376  0.00228  0.00271  0  0
Ne  -1.8712904  -3.67625  -19.063797  -0.01562  0.00194  0.00299  0  0
Ne  -46.6363373  -0.59724  21.6103001  -0.00766  0.00326  0.00177  0  0
Ne  -1.12396  20.7962456  21.5219193  0.01348  -0.00534  -0.00031  0  0
Ne  14.6500854  -10.3519878  13.506813  -0.0002  -0.0023  -0.01055  0  0
Ne  -28.7891102  12.2237701  18.5424957  -0.00406  0.00417  0.00464  0  0
Ne  5.4750032  -8.4460821  -9.5018101  0.00626  -0.00641  0.00188  0  0
Ne  -44.0593605  -14.9114285  -4.75876  0.01654  -0.00167  -0.0031  0  0
Ne  -5.61731  -15.09231  -12.2957201  -0.00239  0.00551  -0.00802  0  0
Ne  18.6107197  -16.813179  -15.3704329  -0.01187  0.00992  -0.00616  0  0
Ne  13.0499601  -3.26671  3.9187601  -0.004  0.00075  -0.00002  0  0
Ne  -7.9026899  5.7711701  13.9663095  -0.00702  0.01161  -0.00176  0  0
Ne  -28.8031349  7.3494501  -21.3445702  0.00942  -0.0091  -0.0019  0  0
Ne  -6.0039883  -4.8598738  -18.6423149  0.00049  0.00313  -0.01  0  0
Ne  -2.5102401  11.3414402  -13.6546898  -0.00925  0.00224  -0.00029  0  0
Ne  -33.991951  13.9533901  -12.0553503  0.00149  -0.01247  0.02152  0  0
Ne  15.0707932  -11.7227497  -7.65521  0.00136  -0.00263  0.00309  0  0
Ne  -47.1367378  -17.2079105  -9.5199003  0.00454  0.01576  0.00289  0  0
Ne  11.8022203  -21.6465549  15.9602604  0.01101  -0.00109  0.00896  0  0
Ne  -19.4317303  -10.5240898  -9.3076801  0.00602  0.00516  0.0044  0  0
Ne  43.6907806  -13.111948  -2.6373196  0.00459  0.00179  -0.0071  0  0
Ne  -29.401577  15.9247932  16.0268002  -0.01133  0.00116  0.00647  0  0
Ne  -35.7766914  9.5198402  21.378437  -0.00621  -0.00948  -0.0036  0  0
Ne  21.3057938  20.3901348  -13.4841318  0.00331  0.00144  0.01075  0  0
Ne  21.62887  -0.85283  1.5918604  -0.00798  -0.00934  -0.00505  0  0
Ne  27.1574593  19.5914497  -22.4781742  0.00427  -0.00187  -0.00248  0  0
Ne  46.6483002  0.28656  0.12145  0.00518  -0.00115  0.01281  0  0
Ne  7.0045938  2.34095  -5.4012299  0.0014  0.01326  -0.0001  0  0
Ne  -10.6393404  13.7111444  -7.8271217  -0.00049  0.00913  -0.01639  0  0
Ne  -21.7554703  3.4156728  23.0660305  -0.0115  -0.00172  -0.00017  0  0
Ne  -35.5173378  -18.7054405  -13.3762045  -0.00876  0.00434  -0.01257  0  0
Ne  36.5578918  -17.0886402  20.954649  -0.01254  0.00546  0.00835  0  0
Ne  -43.5671997  -2.88693  23.0820999  0.00713  -0.01014  -0.00109  0  0
Ne  -3.58305  -9.5082302  -19.7185707  -0.00195  -0.00404  0.00606  0  0
Ne  -29.6627808  18.5225601  5.11095  -0.00943  0.00184  0.0098  0  0
Ne  33.1900902  18.7974529  10.0495729  0.00599  -0.00497  -0.00508  0  0
Ne  1.372  -9.1835804  4.6703501  0.00468  -0.00676  0.00606  0  0
Ne  -11.8840075  -12.0277624  1.3025787  -0.0045  -0.00146  -0.01493  0  0
Ne  25.6639194  -4.0627499  14.4097023  0.00245  0.01429  0.00621  0  0
Ne  33.4366608  -16.9796906  10.5005131  0.01427  -0.0012  -0.01124  0  0
Ne  9.5785933  -16.1821804  -11.9773655  -0.00655  0.01413  -0.00456  0  0
Ne  -32.8083305  20.7200203  -15.6093903  0.00875  -0.00725  -0.00132  0  0
Ne  39.8889313  18.5160007  7.5332599  0.00424  0.0032  -0.01046  0  0
Ne  2.85307  9.2755318  -15.0191298  0.00642  0.00289  -0.00905  0  0
Ne  -47.2416306  20.557457  18.887886  0.00311  0.00104  -0.00161  0  0
Ne  5.9400501  -7.3371239  18.585371  0.00186  -0.00619  0.00551  0  0
Ne  28.820097  -9.242733  -9.96492  0.01232  -0.01059  0.01129  0  0
Ne  -40.2996101  0.44857  -14.6610374  0.0037  -0.0041  0.00442  0  0
Ne  0.28763  5.3020201  12.5781603  -0.00534  0.01029  -0.00451  0  0
Ne  10.5223103  -15.3036404  10.235033  0.00968  -0.01158  -0.00058  0  0
Ne  -47.4425201  -6.7206998  -11.0496531  -0.00073  -0.00186  0.01262  0  0
Ne  -30.158577  1.60849  19.3097801  0.00375  -0.00187  0.00721  0  0
Ne  13.2973404  20.377491  -10.3917303  0.00369  0.00434  -0.00226  0  0
Ne  35.0638618  -1.6131309  -8.3878803  0.00968  -0.00089  -0.00507  0  0
Ne  -21.3241444  -5.44031  2.8694  0.00509  -0.01208  -0.00252  0  0
Ne  -13.6450624  -14.5691404  -1.25569  -0.00311  -0.00509  -0.00313  0  0
Ne  20.7724857  11.13762  -21.6884403  0.01083  -0.01385  -0.00802  0  0
Ne  -3.79176  -21.6691399  15.9049025  -0.00172  -0.00726  0.00708  0  0
Ne  18.2785702  -1.4204499  18.0246201  -0.00611  -0.00208  -0.01542  0  0
Ne  -3.5490601  -14.7290897  -23.4743862  0.01577  -0.017  0.00744  0  0
Ne  -27.8897991  8.7679834  22.1013393  -0.00472  0.00698  -0.00102  0  0
Ne  -35.1831665  18.5194969  23.1963005  -0.00001  0.00064  0.00929  0  0
Ne  3.8456001  4.4468617  -6.5719399  0.01099  0.00826  0.00645  0  0
Ne  21.3664303  -3.5522201  12.6096697  -0.00847  0.00674  -0.00258  0  0
Ne  31.8187943  9.0280304  -23.1759396  -0.00139  0.00293  0.00199  0  0
Ne  -44.4345207  -2.8436501  -20.50354  -0.01475  -0.00736  -0.00291  0  0
Ne  36.7441711  -22.3960495  -8.8701496  0.00839  0.00964  0.01276  0  0
Ne  -2.1028099  -2.4055901  16.9122829  -0.0026  -0.00339  -0.00666  0  0
Ne  41.5360374  -14.3738899  12.3906298  0.00611  0.00588  0.01191  0  0
Ne  -0.58341  -0.19194  7.7132378  -0.00038  -0.00358  0.0175  0  0
Ne  27.9554348  14.3147202  16.22439  0.00214  0.00519  0.0031  0  0
Ne  16.708807  15.1375732  -23.4997196  0.01437  -0.0051  -0.00113  0  0
Ne  -9.6170444  -3.7452011  -20.6864929  0.00982  0.00369  0.00041  0  0
Ne  9.8222504  -12.4480801  -16.4890804  0.00162  0.00507  -0.00945  0  0
Ne  19.3217793  -4.4828401  -2.79303  -0.00172  0.01367  0.00413  0  0
Ne  14.8009014  -6.7555838  13.5525265  0.01197  -0.00856  -0.00799  0  0
Ne  23.495821  -5.3509202  -3.235462  0.00174  0.00925  -0.00031  0  0
Ne  19.367239  -19.6217594  -3.5578096  -0.00681  0.00499  0.00501  0  0
Ne  -31.6933403  13.4050665  -9.9493895  0.00453  0.01198  0.00408  0  0
Ne  -43.9740219  5.1145239  -1.02844  0.0126  -0.00564  -0.00532  0  0
Ne  -26.81073  -12.3929901  8.7278404  -0.00376  0.00203  -0.00649  0  0
Ne  -33.6767197  16.950161  -0.34013  0.0002  0.00258  0.00451  0  0
Ne  -26.890089  -19.6887703  -15.9937296  -0.00306  -0.00827  0.0139  0  0
Ne  -21.0728493  -11.7445621  -11.9574823  0.00503  -0.00337  -0.00117  0  0
Ne  -38.35532  16.0773392  14.3615274  -0.00014  -0.00373  0.01545  0  0
Ne  -29.1956196  14.8708296  21.341547  0.00939  -0.01005  0.00517  0  0
Ne  37.0850716  15.4605885  2.81987  -0.00322  -0.00608  -0.01068  0  0
Ne  -9.4096518  -4.8480601  -2.03584  -0.00342  -0.00414  -0.00185  0  0
Ne  36.8270111  22.0229149  4.2513599  0.01433  -0.00298  0.00416  0  0
Ne  -36.8278198  -1.9768512  -5.8361139  -0.00741  -0.00684  -0.00793  0  0
Ne  -38.4916  -11.9752932  4.6280499  -0.00418  0.00457  0.01019  0  0
Ne  43.1717682  15.3859301  15.7685003  -0.00115  0.00445  -0.00014  0  0
Ne  -6.3517327  22.894886  5.8701038  -0.01115  0.0044  0.00596  0  0
O  12.8145332  -6.4383602  21.5393906  -0.01587  -0.01612  -0.00413  0  0
O  12.8722095  -7.0332398  20.4434853  0.00206  0.01216  0.00008  0  0
O  7.6262999  10.6100454  -23.3811607  0.01589  -0.00551  0.00622  0  0
O  7.4557538  11.3927803  -22.7654991  0.0087  0.00596  -0.00446  0  0
O  -21.0117893  19.1406956  19.4051342  0.01849  0.00259  -0.01138  0  0
O  -20.2630806  19.8997707  19.3450947  -0.0045  0.00321  -0.00492  0  0
O  22.5333805  -20.2168598  -21.5821896  0.01947  0.01657  0.00085  0  0
O  21.1975803  -20.577179  -21.2308769  0.00711  0.01372  -0.00483  0  0
O  17.1370106  -2.7838199  11.2820635  -0.00233  -0.00933  -0.01221  0  0
O  16.6186104  -1.8319999  10.5240097  0.00401  -0.00912  -0.00205  0  0
O  -27.6085796  21.2157001  8.0799532  -0.00644  -0.00118  -0.00973  0  0
O  -27.3984165  19.880373  8.7662296  0.00688  0.01472  0.00073  0  0
O  37.7536163  13.9989996  15.3631878  -0.00212  0.01004  -0.00189  0  0
O  37.9768715  12.8191404  17.387373  0.00581  0.00442  0.00048  0  0
C  37.787571  13.4685097  16.2668095  -0.01621  0.00044  0.01456  0  0
O  0.15706  -20.5174809  -6.7382193  0.00417  -0.01126  0.01036  0  0
C  0.68077  -21.4654846  -5.9769702  -0.00641  0.00772  -0.00202  0  0
O  1.2866504  -22.5022869  -5.2436061  0.00189  0.01446  0.00495  0  0
O  -29.81143  11.6560097  -7.1258001  0.00779  0.01117  -0.00666  0  0
C  -29.2054806  10.7375307  -7.5419393  0.00471  -0.00079  0.01464  0  0
O  -28.470377  9.7332602  -8.1383724  -0.002  0.00268  -0.0078  0  0
O  -16.8577251  10.2865486  8.6167898  0.00698  0.00651  0.00715  0  0
C  -15.7776222  9.8969698  8.6052704  0.01715  0.02614  0.01286  0  0
O  -14.828248  9.5812101  8.580493  -0.01083  -0.01102  -0.00718  0  0
O  -6.80827  7.5941439  5.94067  -0.01111  -0.01607  -0.00529  0  0
C  -7.6335201  8.346673  5.4502001  -0.00853  0.0153  0.0063  0  0
O  -8.4056435  9.075573  4.8490801  0.01052  0.00635  -0.00702  0  0
O  -39.6382141  -12.1379004  18.4145565  0.00811  -0.00984  -0.00069  0  0
C  -39.6448708  -11.4421329  17.4720001  -0.00242  -0.00121  0.00903  0  0
O  -39.5608406  -10.99014  16.4553795  -0.00443  -0.0033  -0.00081  0  0
N  -45.9520302  -10.2069645  13.0447931  -0.00387  -0.00089  -0.01266  0  0
N  -45.4263191  -9.1703634  14.1103544  0.00685  0.00732  -0.00261  0  0
N  30.7928009  -8.14361  21.563797  -0.00128  -0.00172  0.0102  0  0
N  30.2357349  -9.1444931  20.7980003  -0.01784  -0.00453  -0.00884  0  0
N  -45.9987259  5.1555638  -12.5074329  0.00401  -0.00372  -0.00283  0  0
N  -45.1959991  3.9342301  -12.6568298  -0.00611  0.00273  -0.00371  0  0
N  22.7487202  -23.1811447  -2.9524822  -0.00662  -0.02361  0.00681  0  0
N  23.0133305  -23.5902195  -4.2604299  0.00368  -0.0021  0.0057  0  0
N  -1.5443999  -10.0608501  -17.876873  -0.00526  0.001  -0.00388  0  0
N  -0.14726  -9.5156603  -17.7032108  0.00061  0.00796  0.00889  0  0
N  -11.75103  -4.3392801  -22.7287998  0.01067  0.0145  -0.01243  0  0
N  -11.8043003  -3.0673099  -21.9743042  -0.00512  0.00562  0.01061  0  0
N  17.8151474  5.6330099  4.2061701  0.00168  0.00186  -0.00772  0  0
N  18.4264507  6.7608199  3.6494601  0.00963  -0.008  0.00199  0  0
N  -18.6703091  -14.7435532  3.0399902  -0.00923  -0.01886  -0.00362  0  0
N  -19.852459  -15.7728329  3.3944399  0.01349  0.00199  0.0009  0  0
N  16.3468895  15.4945908  18.9035091  -0.00962  -0.00242  -0.01397  0  0
N  15.4747686  16.5810947  18.523159  0.01279  0.00962  0.00208  0  0
N  -25.8092899  -8.5339603  -10.2124023  -0.00344  0.01498  -0.0004  0  0
N  -26.1963749  -9.8017454  -9.8725328  0.01054  0.00294  -0.0006  0  0
Xe  5.4221601  -15.6258974  -11.20434  -0.003  0.00424  0.00076  0  0
Xe  10.9015131  17.0461807  -3.4837999  -0.00557  -0.00073  -0.0016  0  0
Kr  -39.2547417  -13.5620003  22.7377052  -0.00264  -0.00532  0.001  0  0
Kr  -4.6971102  -6.5281997  17.4016304  0.00022  0.00118  0.00181  0  0
Ar  22.1201096  -7.0753922  -20.5788345  0.01052  0.00327  -0.00562  0  0
Ar  44.7808304  -16.7910805  -15.7863131  -0.00313  0.00022  0.00002  0  0
Ne  42.9955406  22.95998  -14.1017103  -0.01238  0.00199  -0.00708  0  0
He  17.635313  -2.7856011  -0.48017  0.00102  0.03315  -0.0039  0  0
He  -15.414793  -14.7004929  13.1268301  0.01809  -0.00699  0.01562  0  0
N  25.4309196  -7.7089562  8.8458204  -0.00911  -0.00093  0.00627  0  0
N  26.3463707  -9.01159  8.8056803  -0.02218  0.01051  0.00279  0  0
N  18.0757847  4.9187407  -17.1528492  -0.01475  -0.00944  -0.00364  0  0
N  17.070015  5.8304739  -17.5383892  -0.01345  0.00451  -0.00982  0  0
N  5.0099788  -6.2612863  -19.0244102  -0.00531  -0.00614  -0.01407  0  0
N  4.6658401  -7.5348539  -19.7774429  0.00216  -0.00453  -0.01547  0  0
O  -7.6555939  -12.6973476  11.5459099  0.00207  0.00064  -0.01817  0  0
O  -7.3113527  -13.03825  12.5197697  -0.00169  0.00727  -0.00733  0  0
O  27.5976429  -5.8169727  17.6433449  0.00474  0.0056  0.00456  0  0
O  28.5441093  -5.7167802  17.4638557  -0.00088  0.00447  -0.01272  0  0
bond 121 122 4.5 1.21
bond 123 124 4.5 1.21
bond 125 126 4.5 1.21
bond 127 128 4.5 1.21
bond 129 130 4.5 1.21
bond 131 132 4.5 1.21
bond 133 135 4.5 1.163
bond 135 134 4.5 1.163
bond 136 137 4.5 1.163
bond 137 138 4.5 1.163
bond 139 140 4.5 1.163
bond 140 141 4.5 1.163
bond 142 143 4.5 1.163
bond 143 144 4.5 1.163
bond 145 146 4.5 1.163
bond 146 147 4.5 1.163
bond 148 149 4.5 1.163
bond 149 150 4.5 1.163
bond 152 151 4.5 1.5
bond 154 153 4.5 1.5
bond 156 155 4.5 1.5
bond 158 157 4.5 1.5
bond 160 159 4.5 1.5
bond 162 161 4.5 1.5
bond 164 163 4.5 1.5
bond 166 165 4.5 1.5
bond 168 167 4.5 1.5
bond 170 169 4.5 1.5
bond 181 180 4.5 1.5
bond 183 182 4.5 1.5
bond 185 184 4.5 1.5
bond 186 187 4.5 1.21
bond 188 189 4.5 1.21
angle 133 135 134 50.0 3.1011896
angle 136 137 138 50.0 3.1011896
angle 139 140 141 50.0 3.1011896
angle 142 143 144 50.0 3.1011896
angle 145 146 147 50.0 3.1011896
angle 148 149 150 50.0 3.1011896
