63
#symbol   rx   ry   rz   vx   vy   vz   charge   damp   ---  Molecular Workbench
O  5.1187496  -0.6841916  2.3398757  -0.0022831  0.0003723  -0.0010846  0  0
H  4.4634299  -0.0596629  2.9692671  0.0055635  -0.0027793  -0.0058917  0  0
H  4.7697573  -0.5327584  1.5098807  -0.0160899  -0.0101214  -0.0151497  0  0
O  -2.1015046  -0.7269517  -1.8371059  0.0001548  0.0016888  0.0080008  0  0
H  -1.4295259  -0.7066814  -2.5895214  0.0157744  -0.0044361  0.0069562  0  0
H  -2.6250188  -0.0583361  -2.0713196  -0.0044805  0.016201  0.0188732  0  0
O  2.2921381  0.1949793  -5.7831078  0.0043892  -0.00153  -0.0001646  0  0
H  2.6931336  0.6788076  -5.1850767  -0.0051565  -0.0024991  0.0215005  0  0
H  2.7869148  -0.7026261  -5.7063475  -0.003541  -0.0064454  -0.0026977  0  0
O  0.8817303  2.1859252  3.0053668  -0.0050966  -0.0019271  -0.0000706  0  0
H  0.6330698  2.7776458  3.7471249  -0.0068713  0.0005078  -0.003464  0  0
H  1.5309688  2.7269015  2.5071883  -0.0156444  -0.0088825  0.0103951  0  0
O  -3.9632351  1.0239054  4.5530291  0.0034366  0.0021281  0.0001553  0  0
H  -4.1810894  1.8988863  4.8891187  -0.0032468  0.0051609  -0.0122184  0  0
H  -4.7882547  0.5431346  4.8302507  -0.0056419  0.0026038  0.01487  0  0
O  -0.1455612  -0.0304575  -5.4513907  0.0050813  -0.0020351  0.0016812  0  0
H  0.4357692  0.4793091  -4.8958893  0.0003915  0.0115897  0.0056256  0  0
H  -0.9616906  -0.0168886  -4.9422069  0.0243127  -0.0159467  -0.0386809  0  0
O  -2.7134361  2.800148  -5.3584232  -0.0033515  0.0047703  -0.0037036  0  0
H  -2.0878656  2.8583336  -6.2057838  0.0091316  0.0049877  0.0132828  0  0
H  -3.0426211  2.0615716  -5.4533448  -0.0148256  0.0076343  -0.0153514  0  0
O  -1.3972365  -4.5647607  -1.5642227  0.0034026  -0.0015246  -0.0033617  0  0
H  -2.1144588  -5.1440887  -1.756978  -0.0330965  -0.0250894  -0.0143031  0  0
H  -1.8472302  -3.7280519  -1.2753764  -0.0061196  0.0160045  -0.0083311  0  0
O  -1.1262414  -3.3198504  0.6291499  0.0036566  0.0032833  -0.004881  0  0
H  -1.2382494  -3.2799628  1.4564462  0.0193976  -0.0028214  -0.0150322  0  0
H  -1.3766164  -4.3430419  0.4147289  0.0121516  0.0162845  0.0156786  0  0
O  -1.3429083  -5.4165883  4.927444  0.0051879  -0.0068996  -0.0042022  0  0
H  -2.3424261  -4.8289266  4.9983997  -0.0067923  -0.0036289  0.0034035  0  0
H  -1.4666579  -6.0799303  5.6213098  0.0112932  0.0001873  0.027351  0  0
O  -1.6753584  -2.2647138  -0.654817  0.0008993  0.0032203  -0.0004524  0  0
H  -2.488039  -2.2884054  -0.2536845  0.0077076  -0.0034555  -0.0006353  0  0
H  -1.2369596  -1.6902264  -0.1187165  -0.0045972  0.0311264  -0.0276357  0  0
O  -3.889626  -4.4824095  5.4157557  -0.0053271  -0.0011542  -0.0039011  0  0
H  -4.2580934  -4.4977012  4.5889173  -0.0067556  0.0163497  0.0252574  0  0
H  -4.0489588  -5.4537172  5.7574458  -0.0137626  -0.0159011  -0.0073504  0  0
O  2.9563074  -1.7031164  1.7292105  -0.0014084  0.0002568  0.0038635  0  0
H  2.8610938  -1.189577  1.0390049  0.0140832  0.0058176  0.0007669  0  0
H  1.9451264  -1.6139234  2.2179801  -0.0091958  0.0048462  0.001185  0  0
O  3.7706711  3.3625741  1.575875  -0.0040997  0.0025787  0.0005164  0  0
H  3.3736548  4.0106997  1.367764  -0.0024744  0.0151671  0.0034136  0  0
H  3.6163216  3.3224277  2.5456548  0.0185624  0.0178672  0.0056451  0  0
O  0.8144292  -4.308938  4.1888328  0.0032538  0.000472  0.0033713  0  0
H  0.7372254  -4.720788  3.2538731  0.0021038  0.0204544  0.0166218  0  0
H  0.4752231  -5.0391617  4.7526608  0.0159044  0.0068353  -0.0134205  0  0
O  2.4911306  -4.4416223  -0.4451528  0.0046737  0.0048836  0.0020208  0  0
H  3.1234658  -5.1233068  -0.2909712  0.0167497  -0.0099496  0.0075611  0  0
H  3.0214522  -3.8050501  -0.8937104  -0.0054891  0.001917  0.0157629  0  0
O  -4.0368447  4.5379233  -5.4881582  -0.0014935  0.0008347  0.0000997  0  0
H  -3.8636708  3.8395541  -4.7569389  0.0022098  -0.0060438  -0.0108927  0  0
H  -3.5283923  5.3143992  -5.1430283  0.0056187  -0.0117379  -0.000728  0  0
O  2.8832324  -4.228569  -3.5073059  -0.005498  -0.004017  -0.0044303  0  0
H  3.0225067  -3.3806944  -2.9824221  -0.0102376  0.0027734  -0.0051745  0  0
H  2.0370042  -4.3045249  -3.457561  -0.001756  -0.000963  -0.0102924  0  0
O  3.1635056  -4.2951407  3.9130661  0.0032043  -0.00209  0.0005779  0  0
H  3.7957907  -3.7764871  3.5229771  -0.024612  0.0069594  0.0063036  0  0
H  2.9329684  -4.8566322  3.1796718  0.0023948  0.0137273  0.0046443  0  0
O  -0.9726607  -4.0628438  5.8056517  -0.0029873  -0.0022417  -0.0007859  0  0
H  -0.1214269  -4.2113233  6.3066916  -0.0004415  0.0037762  0.0179693  0  0
H  -0.9808155  -2.9844229  5.6661987  -0.0178826  -0.0138263  -0.01177  0  0
O  -0.5538086  2.3638146  -3.1832619  0.0000382  -0.0014242  -0.0010608  0  0
H  -0.0513444  3.0736861  -3.3405898  0.0096523  -0.0018483  0.0195885  0  0
H  -1.1531262  2.6981177  -2.389878  0.0048907  -0.0046643  0.0151573  0  0
bond 54 55 4.5 0.9819728
bond 54 56 4.5 0.9808841
bond 51 53 4.5 0.9816973
bond 51 52 4.5 0.978453
bond 33 34 4.5 0.964039
bond 33 35 4.5 0.9797418
bond 27 29 4.5 0.9798578
bond 27 28 4.5 0.9816136
bond 24 25 4.5 0.9814668
bond 24 26 4.5 0.9793808
bond 42 43 4.5 0.9800802
bond 42 44 4.5 0.9808252
bond 12 14 4.5 0.982734
bond 12 13 4.5 0.9625649
bond 36 37 4.5 0.9812587
bond 36 38 4.5 0.9805853
bond 48 49 4.5 0.9589358
bond 48 50 4.5 0.976741
bond 9 10 4.5 0.9798084
bond 9 11 4.5 0.9613572
bond 57 58 4.5 0.9757949
bond 57 59 4.5 0.9809429
bond 30 31 4.5 0.9589952
bond 30 32 4.5 0.9770275
bond 18 20 4.5 0.9622228
bond 18 19 4.5 0.9773208
bond 3 5 4.5 0.9814904
bond 3 4 4.5 0.962335
bond 6 7 4.5 0.980031
bond 6 8 4.5 0.9619575
bond 15 16 4.5 0.9776676
bond 15 17 4.5 0.9806314
bond 21 22 4.5 0.9661552
bond 21 23 4.5 0.9666736
bond 0 1 4.5 0.9790712
bond 0 2 4.5 0.9811399
bond 60 61 4.5 0.9812592
bond 60 62 4.5 0.9819697
bond 39 40 4.5 0.9636152
bond 39 41 4.5 0.9769714
bond 45 47 4.5 0.9830425
bond 45 46 4.5 0.9789281
angle 53 51 52 50.0 1.7924017
angle 1 0 2 50.0 1.793076
angle 22 21 23 50.0 1.8019638
angle 26 24 25 50.0 1.7964365
angle 16 15 17 50.0 1.7930865
angle 61 60 62 50.0 1.7692729
angle 5 3 4 50.0 1.7618015
angle 34 33 35 50.0 1.7710404
angle 29 27 28 50.0 1.784781
angle 47 45 46 50.0 1.7775601
angle 41 39 40 50.0 1.7872784
angle 59 57 58 50.0 1.7764964
angle 19 18 20 50.0 1.788559
angle 10 9 11 50.0 1.7881491
angle 37 36 38 50.0 1.7664391
angle 55 54 56 50.0 1.7618665
angle 50 48 49 50.0 1.7838094
angle 7 6 8 50.0 1.7633696
angle 31 30 32 50.0 1.7706364
angle 43 42 44 50.0 1.7792655
angle 13 12 14 50.0 1.7527989
