87
XYZ file for : ots4b in P 21/c
  H        4.39776        0.27356       -3.38532
  H       -4.42351        0.77737       -3.35574
  H       -3.01728        0.01605       -3.41809
  H        2.87237        0.73564       -3.24192
  C       -3.66297        0.45708       -2.82724
  C        3.71317        0.59053       -2.75978
  H       -6.20652       -0.47865       -2.16456
  H        4.00634        1.43278       -2.35376
  H       -3.23232        1.21600       -2.38125
  H        6.33853       -0.03409       -2.06274
  H       -5.93711       -0.83164       -2.09147
  H        6.07659       -0.83987       -2.05155
  C       -5.48655       -0.84542       -1.66498
  N        4.28027       -0.33948       -1.80266
  N       -4.14291       -0.51335       -1.80379
  C        5.64395       -0.47948       -1.59206
  N       -3.34631       -0.45893       -1.81073
  N        3.51077       -0.39929       -1.72440
  H       -1.26952       -0.28670       -1.71506
  H        1.38520       -0.49605       -1.68227
  H       -1.58126       -1.49885       -1.63434
  H       -6.01177       -2.16594       -1.21096
  C       -5.69507       -1.23872       -1.23351
  C        5.83776       -0.93255       -1.10566
  H        1.82336       -1.94742       -1.35488
  C       -2.05992       -0.68287       -1.36722
  C        2.21230       -0.79218       -1.32088
  C       -4.19847       -1.21526       -1.07114
  H        6.26341       -1.73540       -0.73847
  C        4.39451       -1.04880       -0.97952
  C       -5.58428       -1.74057       -0.73756
  H        1.71675       -0.37598       -1.07217
  C       -3.44714       -1.25561       -0.93466
  C        3.61508       -1.09105       -0.90973
  H        6.14651       -0.14425       -0.61204
  C        5.79596       -1.38331       -0.57518
  H       -6.38296       -2.16215       -0.44289
  H       -6.11077       -0.73390       -0.50366
  C       -1.99886       -1.21230       -0.79540
  C        2.13855       -1.21327       -0.78731
  H       -4.42470       -4.62576       -0.34714
  H        4.70481       -4.27147       -0.34081
  H        6.62014       -1.69093       -0.21669
  H       -2.86854       -4.25302       -0.37540
  H       -1.71806       -0.29678       -0.58666
  O       -4.14099        2.72715       -0.22447
  N       -4.28598       -1.97386       -0.24552
  C        2.38647       -1.64112       -0.35475
  N        4.55115       -1.76176       -0.17013
  C       -2.12821       -1.57934       -0.33462
  N       -3.48106       -1.92940       -0.22597
  N        3.74046       -1.78496       -0.12369
  C       -3.66812       -4.30823        0.18870
  H       -1.72224       -1.81189       -0.07124
  H        3.19663       -4.28388        0.19425
  O        4.97993        2.04111        0.33565
  H        1.69493       -2.09051        0.11678
  C        4.13132       -4.12104        0.43942
  H        1.90240       -1.39730        0.14583
  H       -1.40847       -1.89800        0.19726
  O        2.56001        1.99067        0.38871
  C       -3.98176       -2.95747        0.74069
  H       -3.50507       -4.93266        0.92616
  C        4.28678       -2.69447        0.91095
  H        4.39172       -4.73315        1.15916
  H        5.24365       -2.49290        1.06579
  S       -4.10012        1.87539        0.93120
  O       -5.24901        1.04713        1.08213
  S        3.79738        1.84057        1.08671
  H       -4.75301       -3.03805        1.35613
  O       -2.83920        1.26935        1.16314
  H       -3.20686       -2.64450        1.27156
  F        3.73462        4.37597        1.62358
  H        3.80005       -2.56640        1.76347
  F       -5.38128        3.70478        2.25551
  O        3.82956        0.68227        1.93510
  C       -4.24762        3.03541        2.29541
  C        3.79012        3.20896        2.26305
  F       -3.26781        3.92785        2.30191
  F        4.89940        3.25236        2.99623
  F        2.77810        3.15302        3.07299
  F       -4.21404        2.41446        3.47150
 Ct       -4.58943       -1.26576       -1.07726
 Ct        4.77722       -1.01101       -1.00991
 Ct       -3.04273       -1.17317       -0.96192
 Ct        3.92035       -1.36209       -0.62463
 Ct        3.24884       -1.13327       -0.90065
