131
XYZ file for : rje215 in space group P2(1)/n
  H        1.36815        0.19551       -5.30175
  H       -0.31709       -1.15287       -5.13494
  H        0.85177        2.43229       -4.89944
  H        2.43469        2.20524       -4.77952
  H       -5.21302       -2.78132       -4.31613
  H        6.82461        0.49308       -4.11344
  H       -1.82513        2.77027       -4.36486
  C        1.56188        1.99425       -4.36473
  C        1.35338        0.53059       -4.37105
  C       -0.31770       -1.08496       -4.15694
  H        4.77352        1.51793       -3.84649
  H       -3.30402        2.91541       -3.77294
  H       -5.92522       -0.70451       -3.61611
  H        2.08075        0.08718       -3.86977
  C       -4.72469       -2.31241       -3.64992
  H       -1.22199       -1.25580       -3.81883
  H        0.29898       -1.74678       -3.78357
  O        0.09632        0.22658       -3.76928
  C       -2.42709        2.49835       -3.64065
  H       -2.52513        1.52465       -3.64534
  C        6.29760        0.31501       -3.34325
  H        1.61135        4.41922       -3.48350
  H       -3.34208       -3.74604       -3.37350
  C       -5.13468       -1.08423       -3.24661
  C        5.09076        0.92375       -3.17631
  H        3.03942        3.76649       -3.18023
  H        2.65875       -4.38009       -3.13885
  C       -3.61474       -2.87611       -3.10108
  H       -0.91487        4.57445       -2.91079
  O        1.53244        2.49892       -3.02936
  C        2.09859        3.79380       -2.90825
  H        7.58400       -0.98275       -2.49131
  H       -2.46931        4.80749       -2.59511
  C        6.74194       -0.55821       -2.38211
  H        3.09724       -2.15358       -2.54959
  C        2.15217       -3.96297       -2.45275
  C       -1.65812        4.32077       -2.30655
  O       -1.88631        2.91741       -2.39056
  C       -4.39656       -0.36643       -2.28273
  H        0.99664       -5.58342       -2.02254
  C       -2.87942       -2.19254       -2.15300
  C        2.40420       -2.63428       -2.11363
  C        4.31343        0.69611       -2.05191
  H       -4.68243        0.49589       -2.00519
  H        2.03651        4.09086       -1.97638
  H        3.47972        1.14132       -1.95158
  C        1.16576       -4.67679       -1.79347
  H       -2.10692       -2.59769       -1.77598
  C       -3.25492       -0.93118       -1.74575
  C        5.98173       -0.83011       -1.25403
  C        4.75809       -0.18812       -1.06494
  C        1.63989       -2.02139       -1.14208
  H       -1.09895        5.66468       -0.87072
 Ba       -0.08750        1.21493       -1.12797
  C       -1.31707        4.69975       -0.91039
  H        6.29360       -1.45474       -0.60986
  C        0.43321       -4.06567       -0.80681
  O       -2.47443       -0.21287       -0.86820
  O        1.81179       -0.68310       -0.86404
  H       -4.54904        4.16210       -0.32721
  O       -0.19525        3.93274       -0.46175
  H       -2.09347        4.53378       -0.32027
  H       -0.23674       -4.55938       -0.34901
  H       -3.43923        2.11681       -0.38521
  C        0.65181       -2.73810       -0.46363
  H        4.11981        2.91023       -0.04071
  C       -4.85640        3.44953        0.22054
  H       -5.66200       -4.36945        0.38857
  O        4.07858       -0.45773        0.07386
  C       -4.18496        2.23504        0.19064
  H       -4.69459       -2.25705        0.28088
  H        0.13816       -2.32499        0.22035
  B        2.65840       -0.25071        0.27877
  O        2.25735        1.18853        0.33113
  H        0.59506        5.41812        0.59401
  C       -4.79558       -4.23665        0.75111
  C       -4.21902       -2.97744        0.67937
  H       -6.39653        4.48542        1.02484
  H        3.65128       -3.00869        0.72872
  C       -5.94995        3.64700        1.01640
  B       -2.65842       -0.31723        0.60642
  C        0.34500        4.48293        0.74522
  C        3.81990        2.90020        0.86010
  C       -4.61063        1.18892        1.00970
  H       -4.55007       -6.15798        1.38559
  H        1.13769        3.97084        1.01093
  C       -4.13995       -5.30267        1.33779
  O       -4.01001       -0.02685        1.07184
  O       -1.65769        0.69774        1.03332
  C       -2.93251       -2.76940        1.19711
  O       -2.25058       -1.60672        1.13795
  H        5.02104        4.41804        1.52616
  C        2.85446        2.01190        1.26522
  H       -0.32853        4.43506        1.45592
  C       -6.39088        2.60772        1.80639
  C        3.67921       -2.87353        1.66887
  C        4.35776        3.79446        1.79833
  C       -5.72596        1.38943        1.81206
  O        2.27447       -0.89381        1.51890
  C       -2.87842       -5.09677        1.85202
  C       -2.27772       -3.85135        1.78392
  H        4.84544       -4.48722        2.08485
  H       -7.15888        2.72586        2.35421
  H       -2.41536       -5.81923        2.25838
  H       -1.40589       -3.73181        2.14332
  H       -6.03583        0.68693        2.37078
  C        3.01653       -1.78884        2.23774
  C        4.37989       -3.75828        2.47421
  H       -2.37932        2.78342        2.32999
  C       -1.41476        1.00356        2.35269
  C        2.44133        2.00147        2.57591
  C       -1.84459        2.20956        2.86530
  C        3.93968        3.77805        3.09752
  H       -0.37860       -0.68672        2.80688
  H        1.78140        1.37967        2.85824
  C       -0.65804        0.15603        3.14386
  C        2.98274        2.89495        3.48903
  H        4.31610        4.38190        3.72678
  C        3.04311       -1.63324        3.61631
  C        4.39987       -3.57599        3.85912
  H        2.57805       -0.90635        4.01375
  H        4.87551       -4.18631        4.41115
  C       -1.50292        2.59256        4.15467
  C        3.73432       -2.51788        4.42243
  H        2.68479        2.88891        4.38992
  H       -1.80793        3.42155        4.50165
  C       -0.31073        0.54164        4.42810
  C       -0.71195        1.75692        4.93524
  H        0.21275       -0.04162        4.96629
  H        3.74854       -2.39318        5.36335
  H       -0.45253        2.02169        5.80866
