246
XYZ file for : ots1 in P 21/n
  H        3.46888       -4.14028       -8.84114
  H        4.72130       -3.68279       -8.01675
  C        3.76203       -3.67601       -8.05371
  H        3.44924       -2.76884       -8.08198
  H        1.21173       -3.03484       -7.77622
  H        0.18145       -4.09333       -7.25139
  H        3.29874        1.73914       -7.17426
  C        0.88997       -3.49690       -6.99876
  N        3.22369       -4.34062       -6.86711
  H        3.43676        3.27805       -6.90930
  H        0.70239        1.70666       -6.84882
  C        3.38970        2.41268       -6.49637
  C        1.98620       -4.26593       -6.39798
  H        4.85431       -5.41466       -6.14112
  H        0.55952       -2.85941       -6.36149
  C        3.95851       -5.18589       -6.03990
  H        4.19178        2.25415       -5.99331
  C        0.95372        1.98827       -5.99886
  N        2.23263        2.36190       -5.59935
  N        1.90383       -5.02220       -5.31447
  F        2.40754       -0.88735       -5.34859
  C        3.14706       -5.60236       -5.08512
  H       -0.06291       -5.11721       -4.95669
  F        4.06468       -2.17803       -4.89692
  C        0.16229        2.10699       -4.94860
  H       -0.74895        1.92285       -4.92105
  O       -4.83672        2.81807       -4.63923
  H        3.36634       -6.17757       -4.38801
  H       -1.61121       -0.86044       -4.69219
  F        4.21313       -0.07281       -4.53593
  C        0.74198       -5.20066       -4.44024
  C        3.38561       -1.11155       -4.48140
  H       -1.73990       -2.40441       -4.45314
  C        2.19124        2.70133       -4.32037
  H        0.77517       -6.07156       -4.03787
  O       -2.99175        1.33013       -4.13908
  H       -3.95604       -2.09910       -4.04545
  C       -1.36264       -1.58799       -4.11738
  H       -0.40596       -1.66387       -4.09275
  H        3.71637        3.92669       -3.88733
  H        9.68512        5.38410       -3.22201
  S       -3.65554        2.57899       -3.85887
  N        0.94564        2.55904       -3.88995
  H        9.66233        6.92553       -2.93745
  H        0.75238       -4.53013       -3.75330
  O       -2.77677        3.70020       -3.70706
  C        3.33243        3.13406       -3.50520
  H        3.99258        2.43744       -3.48324
  C        9.69552        6.05463       -2.53508
  H       -4.91368       -1.21532       -3.17413
  C       -4.25352       -1.91194       -3.15217
  H        7.07116        7.03154       -2.58730
  H       -1.67347        5.75226       -2.90407
  H       10.50041        5.97117       -2.01862
  O        1.85568       -2.47808       -2.95031
  H       -1.69626        7.29369       -2.61950
  H       -4.63746       -2.70456       -2.77004
  S        2.73445       -1.35686       -2.79850
  N       -1.86674       -1.33691       -2.76742
  H       -4.28743        7.39969       -2.26936
  F       -2.95033       -5.03338       -2.52441
  H        3.03495        3.32122       -2.61192
  H       -0.51513        2.88600       -2.56462
  C        0.44155        2.81012       -2.53999
  C        7.29044        6.45633       -1.89019
  O        2.07066       -0.10801       -2.51829
  C       -1.66307        6.42279       -2.21713
  H        4.38997       -5.36240       -2.18377
  C       -3.11234       -1.47920       -2.33700
  N        8.53367        5.87616       -1.66084
  H       -6.96862       -4.99425       -1.86583
  F       -1.21909       -6.20690       -2.06642
  C       -4.30671        2.33367       -2.17597
  F       -5.13423        1.29493       -2.12144
  H        0.81881        3.62654       -2.20423
  O        3.91562       -1.59594       -2.01814
  C       -4.06815        6.82448       -1.57225
  F       -4.98577        3.40015       -1.76045
  H        0.69012        2.08257       -1.96518
  H       -0.85818        6.33933       -1.70068
  C       -1.96987       -5.19388       -1.64585
  F       -1.21005       -4.10167       -1.67627
  H        5.64239       -4.90492       -1.35938
  H       -0.17214       -0.70072       -1.73632
  C       -1.08339       -0.88487       -1.70877
  C        4.68313       -4.89814       -1.39634
  N       -2.82492        6.24432       -1.34290
  H        4.37034       -3.99097       -1.42461
  H       -6.98826       -3.62281       -1.10667
  C       -6.67546       -4.52998       -1.07840
  H       -9.22577       -3.88881       -0.80091
  C        6.47899        6.03986       -0.93541
  H       -5.71620       -4.53676       -1.04144
  F       -3.32863        2.10947       -1.30878
  H        9.87797        3.71338       -0.61382
  H        5.58319        6.26863       -0.83419
  H        2.13282       -4.25696       -1.11885
  C        8.45129        5.11990       -0.57733
  H      -10.25605       -4.94730       -0.27608
  N       -3.15372       -1.13977       -1.05802
  C       -4.87960        6.40802       -0.61747
  H       -5.77540        6.63678       -0.51625
  O        1.43804        5.62964       -0.82608
  H       -5.11288       -1.03202       -0.66406
  C       -9.54753       -4.35087       -0.02344
  H        1.10254       -5.31546       -0.59402
  C        9.54753        4.35087        0.02344
  C       -1.87481       -0.76614       -0.65851
  N        7.21381        5.19459       -0.10820
  H       10.25605        4.94730        0.27608
  H        4.21984        0.51702       -0.51689
  N        4.14478       -5.56275       -0.20974
  O       -3.37928       -6.71558       -0.13325
  C       -2.90730        5.48806       -0.25939
  C        1.81106       -4.71903       -0.34139
  O        3.41649        4.33319       -0.28257
  N       -7.21381       -5.19459        0.10820
  H       -1.48062        4.08153       -0.29588
  H        4.35785        2.05593       -0.25193
  C       -4.31080       -1.19056       -0.16100
  S        2.62325        5.49834       -0.02649
  O        3.37928        6.71558        0.13325
  S       -2.62325       -5.49834        0.02649
  H        1.62349        0.48453       -0.19146
  H       -9.87797       -3.71338        0.61382
  N       -4.14478        5.56275        0.20974
  C       -8.45130       -5.11990        0.57733
  H        5.77540       -6.63679        0.51625
  C        2.90729       -5.48806        0.25939
  C        4.31080        1.19055        0.16100
  O       -3.41649       -4.33319        0.28257
  H        9.22577        3.88880        0.80091
  H       -4.35785       -2.05593        0.25193
  C        4.87960       -6.40802        0.61747
  C       -1.81106        4.71902        0.34139
  H        1.48062       -4.08154        0.29588
  H       -1.62349       -0.48453        0.19146
  H       -5.58319       -6.26863        0.83419
  C       -6.47899       -6.03986        0.93541
  H       -1.10254        5.31546        0.59402
  H       -4.21984       -0.51702        0.51689
  H        5.11288        1.03202        0.66406
  O       -1.43804       -5.62965        0.82608
  C        6.67546        4.52998        1.07840
  C        1.87481        0.76614        0.65851
  H        5.71620        4.53676        1.04144
  H        6.98825        3.62281        1.10667
  N       -8.53367       -5.87617        1.66084
  H      -10.50041       -5.97117        2.01862
  H       -5.64239        4.90492        1.35938
  H       -2.13282        4.25696        1.11885
  N        3.15372        1.13977        1.05802
  N        2.82492       -6.24432        1.34290
  C       -4.68313        4.89814        1.39634
  C        4.06815       -6.82448        1.57225
  H       -4.37034        3.99097        1.42461
  C       -7.29044       -6.45633        1.89019
  F        3.32863       -2.10948        1.30878
  H        6.96862        4.99424        1.86583
  H        0.85818       -6.33933        1.70068
  C        1.96986        5.19388        1.64585
  F        4.98577       -3.40015        1.76045
  F        1.21005        4.10167        1.67627
  C       -9.69552       -6.05463        2.53508
  C        1.08339        0.88487        1.70877
  H        4.28743       -7.39969        2.26936
  H        0.17214        0.70072        1.73632
  F        1.21909        6.20690        2.06642
  H       -4.38997        5.36240        2.18377
  H       -7.07116       -7.03154        2.58730
  H       -9.66233       -6.92553        2.93744
  O       -3.91563        1.59594        2.01814
  C        1.66307       -6.42279        2.21713
  F        5.13422       -1.29494        2.12144
  H       -0.69012       -2.08257        1.96518
  C        4.30671       -2.33368        2.17597
  H       -0.81881       -3.62654        2.20423
  H        1.69626       -7.29369        2.61950
  C        3.11233        1.47920        2.33700
  F        2.95032        5.03338        2.52441
  H       -9.68512       -5.38410        3.22201
  H       -3.03495       -3.32123        2.61192
  C       -0.44155       -2.81012        2.53999
  O       -2.07066        0.10801        2.51829
  H        0.51513       -2.88600        2.56462
  H        4.63746        2.70456        2.77004
  H        1.67347       -5.75226        2.90407
  N        1.86673        1.33691        2.76742
  S       -2.73445        1.35686        2.79850
  O       -1.85568        2.47808        2.95031
  H        4.91368        1.21532        3.17413
  C        4.25352        1.91193        3.15217
  H       -3.99259       -2.43744        3.48324
  C       -3.33243       -3.13406        3.50520
  O        2.77677       -3.70020        3.70706
  H       -0.75238        4.53013        3.75330
  H       -3.71637       -3.92669        3.88733
  S        3.65554       -2.57899        3.85887
  H       -0.77517        6.07156        4.03787
  N       -0.94564       -2.55904        3.88995
  H        3.95604        2.09910        4.04545
  H       -3.36634        6.17757        4.38801
  O        2.99175       -1.33013        4.13908
  H        0.40596        1.66387        4.09275
  C        1.36264        1.58799        4.11738
  C       -2.19124       -2.70133        4.32037
  C       -0.74198        5.20066        4.44023
  C       -3.38562        1.11155        4.48140
  H        1.73990        2.40441        4.45314
  O        4.83672       -2.81807        4.63923
  F       -4.21313        0.07281        4.53593
  H        1.61121        0.86044        4.69219
  F       -4.06468        2.17802        4.89692
  H        0.06291        5.11720        4.95669
  C       -3.14706        5.60236        5.08512
  H        0.74895       -1.92285        4.92105
  C       -0.16230       -2.10699        4.94860
  N       -1.90383        5.02220        5.31447
  F       -2.40754        0.88735        5.34859
  N       -2.23263       -2.36190        5.59935
  C       -3.95851        5.18589        6.03990
  H       -4.85431        5.41466        6.14112
  H       -4.19179       -2.25415        5.99331
  C       -0.95372       -1.98827        5.99886
  C       -1.98620        4.26593        6.39798
  H       -0.55953        2.85941        6.36149
  C       -3.38971       -2.41268        6.49637
  N       -3.22369        4.34062        6.86711
  H       -3.43676       -3.27806        6.90930
  H       -0.70240       -1.70666        6.84882
  C       -0.88997        3.49690        6.99876
  H       -3.29875       -1.73914        7.17426
  H       -0.18145        4.09333        7.25139
  H       -1.21173        3.03484        7.77622
  H       -4.72130        3.68279        8.01675
  C       -3.76204        3.67601        8.05371
  H       -3.44925        2.76884        8.08198
  H       -3.46888        4.14028        8.84114
