82
XYZ file for : ab048 in space group P212121
  H        2.03735        0.49792       -4.74699
  H        3.59150        0.56296       -4.54184
  H        2.82669       -0.78803       -4.32347
  C        2.77470        0.16499       -4.22902
  O       -3.34780        0.20755       -4.06795
  O        0.07440       -1.48853       -4.02642
  C       -2.66211       -0.04000       -3.17519
  H        1.78535        2.70192       -3.12775
  H        3.34321        2.72041       -2.95274
  C        0.01770       -0.94994       -2.97875
  C        2.51396        2.41722       -2.57280
  H        4.20380       -1.70776       -2.41101
  P        2.52388        0.59276       -2.46581
  C        4.66629       -1.08340       -1.90058
  H       -4.28445        4.49367       -1.58914
  H       -3.16363        2.48316       -1.77105
  C        4.15220        0.19843       -1.74301
  H        6.18958       -2.29934       -1.40544
  H        2.41141        2.78834       -1.69443
 Fe       -1.67226       -0.44301       -1.78395
  C       -2.04776       -2.15634       -1.66076
  O       -2.28755       -3.28489       -1.53245
  C        5.86171       -1.43540       -1.29895
  H       -4.99362       -1.56508       -1.28531
 Fe        0.79872       -0.33993       -1.40008
  O        1.89439       -3.02183       -1.23538
  C        1.45507       -1.95774       -1.26755
  C       -4.39498        3.84392       -0.93442
  C       -3.73100        2.64000       -1.05074
  C        4.87976        1.10667       -1.00018
  S       -0.57422        1.42756       -1.23698
  H        4.55423        1.97020       -0.88224
  H       -6.64944       -2.99651       -0.51485
  C        6.56532       -0.54438       -0.55676
  C        6.08868        0.74438       -0.42648
  H        7.35753       -0.79894       -0.14163
  C       -5.08441       -1.71662       -0.37259
  H        6.58177        1.37448        0.04805
  H       -5.64699        4.91734        0.21534
  C       -6.09144       -2.55918        0.08959
  C       -5.22120        4.09321        0.13480
  C       -3.92164        1.66379       -0.08046
  P       -2.98196        0.08643       -0.13558
  C       -4.21757       -1.10116        0.51451
  H        3.65667       -1.66013        0.54799
  H        0.81041        2.95682        0.52883
 Fe       -0.85651        0.07285        0.55595
  C       -5.40686        3.13438        1.07192
  C       -4.75410        1.93263        0.97113
  P        1.35839        0.13507        0.70827
  C        1.62314        2.90355        0.97879
  H        1.89676        4.89380        1.17739
  C       -6.25587       -2.74330        1.42546
  H       -6.95994       -3.26335        1.73774
  C        2.27442        4.06599        1.36804
  C        2.17685        1.66766        1.25728
  C       -0.98383       -1.55990        1.24193
  C        3.30244       -1.79780        1.39693
  H       -5.98224        3.28886        1.78549
  H       -4.87941        1.28857        1.63202
  O       -1.04819       -2.63445        1.62400
  H        4.67314       -3.15679        1.96196
  C       -4.36706       -1.33368        1.85067
  C        2.16622       -1.08920        1.78147
  C        3.46970        3.99811        2.03280
  C        3.38743        1.64740        1.91999
  H        3.90014        4.78117        2.29306
  H        3.78372        0.82734        2.10607
  C       -1.07476        1.09665        1.97059
  C       -5.37945       -2.15896        2.32286
  C        3.91379       -2.69658        2.23751
  C        4.02657        2.79489        2.31291
  H       -3.78230       -0.93356        2.45297
  H        4.83572        2.74668        2.76890
  H       -5.46640       -2.31642        3.23525
  O       -1.19906        1.78160        2.89178
  C        1.68795       -1.32057        3.05049
  C        3.38741       -2.90646        3.49228
  H        0.93918       -0.85190        3.34551
  H        3.78938       -3.51763        4.06599
  C        2.28728       -2.22505        3.89855
  H        1.93799       -2.36902        4.74761
