109
XYZ file for : rje99 in space group P-1
  H       -0.58098        1.16422       -6.80206
  C       -0.60326        1.06029       -5.85890
  H       -2.15651       -0.25076       -5.80338
  H        0.93493        2.31027       -5.45848
  C       -1.53681        0.22487       -5.26217
  C        0.29215        1.73664       -5.05579
  C       -1.57399        0.07767       -3.88467
  C        0.27488        1.59756       -3.66766
  H       -2.22153       -0.49564       -3.49082
  H        0.90349        2.06898       -3.13465
  C       -0.66782        0.76533       -3.06799
  H       -5.66204        0.67777       -2.48959
  H       -4.86427       -0.72149       -2.40628
  H        3.45079       -1.80662       -2.36134
  H        4.57708       -7.33965       -1.88975
  H        5.63734       -6.94745       -1.68125
  H       -2.01880        5.27319       -1.96476
  C       -5.24149        0.02453       -1.87591
  H        6.00128       -6.82776       -1.35329
  H        1.88504       -0.16248       -1.79560
  O       -0.79837        0.54641       -1.73670
  C        2.90005       -1.92843       -1.59638
  H       -0.80074        3.32316       -1.58933
  C        5.12371       -7.19334       -1.07731
  H       -6.76776       -1.23768       -1.20111
  H       -3.28298        0.60437       -1.44794
  H        3.01119        3.26600       -1.36610
  C       -2.22546        4.73193       -1.21169
  H       -7.09690       -0.00882       -0.96328
  C        5.56197       -7.05633       -0.70018
  H       -6.38832       -1.44859       -0.98664
  C        1.97140       -0.94181       -1.25973
  H        3.66226       -3.74561       -1.08616
  H        3.68585       -6.28705       -0.81405
  C       -4.17270        0.68473       -1.02138
  C       -6.23282       -0.47979       -0.85519
  O        5.30819       -8.44657       -0.37107
  C       -1.49888        3.56940       -0.99354
  H        3.92891       -5.60892       -0.71139
  H       -4.37610        1.64375       -0.88387
  C        3.03535       -3.07629       -0.83949
  H        6.41043       -6.75832       -0.28629
  H       -6.83737        0.23786       -0.53971
  H       -3.72560        5.91840       -0.52295
  O        0.98159        1.87348       -0.84015
  C        4.45887       -6.26733       -0.19587
  C       -3.23754        5.11889       -0.36195
  C        2.88572        3.18557       -0.42795
  B       -0.13060        1.00148       -0.52938
  H        4.72739       -5.32795       -0.03660
  H        2.74688       -7.17799        0.15506
  H        3.48590       -8.84011        0.44321
  H        4.51295        4.28987        0.09656
  H       -4.94244       -1.82951        0.02513
  C        1.17368       -1.10855       -0.13037
  H        3.69862       -9.18147        0.63877
  H        5.11462       -5.78234        0.36514
  C       -5.26731       -0.91379        0.21472
  C        1.80759        2.45295        0.06938
  C       -1.80010        2.76661        0.10103
  C        4.34381       -8.43574        0.72704
  C        3.62991       -7.06561        0.58851
  O       -4.20593       -0.03312        0.23702
  C        2.24074       -3.23698        0.28522
  C        3.77683        3.79846        0.44189
  C       -5.70326       -0.24074        0.47409
  O        0.23419       -0.20294        0.28308
  O       -1.15217        1.59210        0.38373
  C       -3.53093        4.32428        0.73009
  C        4.15596       -6.97196        1.07922
  H       -6.11332        0.56365        0.88010
  C        1.32240       -2.25989        0.64748
  H        2.32551       -4.02284        0.81281
  H        4.69267       -8.94053        1.50398
  H       -5.86454       -1.01820        1.06549
  H       -5.71964       -0.91997        1.09537
  C       -2.81265        3.16157        0.97406
  H        4.80226       -8.50905        1.60136
  H        3.22766       -6.79293        1.37300
  H       -4.23140        4.57638        1.32029
  H        3.49520       -6.65427        1.47888
  H        4.78054       -6.69540        1.79580
  C        1.63151        2.36138        1.44151
  H        0.79364       -2.37450        1.42732
  C        3.60171        3.69797        1.80985
  H       -3.01197        2.63298        1.73729
  H        0.89756        1.87155        1.79349
 Ba       -2.05020       -0.56321        1.94474
  H        4.21328        4.11643        2.40391
  C        2.52625        2.98378        2.30225
  H       -0.54165        2.97129        3.08798
  H       -0.63132        2.88100        3.14003
  H        2.39852        2.91768        3.24109
  H       -1.96326        3.60008        3.52105
  C       -1.27700        2.92404        3.74898
  O       -1.87280        1.53679        3.80843
  C       -0.72373        2.29137        3.92967
  H        0.06322        1.69156        3.95859
  H       -1.21337        3.98589        5.01368
  H       -3.39510        2.10883        5.01295
  C       -2.57119        1.56383        5.07715
  C       -0.76012        3.11868        5.16311
  H        0.20064        2.88594        5.21560
  H       -2.81503        0.64801        5.36356
  H       -0.87387        4.06027        5.44677
  H        0.14567        3.27560        5.53050
  C       -1.58372        2.19005        6.05243
  H       -1.01245        1.50029        6.47427
  H       -2.05421        2.69788        6.76013
