85
XYZ file for : erk1128 in space group P-1
  H       -4.39471        2.44902       -2.29084
  H       -1.14026        0.66525       -2.38587
  H       -4.81068       -4.01518       -1.80706
  H        4.61046        4.23488       -1.78845
  H       -5.63231        3.30431       -1.74611
  H       -3.95020       -2.67096       -1.93285
  H       -0.24440       -1.67764       -2.12583
  C       -0.31420        0.42642       -1.98249
  H        4.42321       -3.70113       -1.60017
  C       -4.96143        2.62935       -1.51227
  C        0.18838       -0.88501       -1.83127
  H       -2.73860        4.16297       -1.54065
  O        1.98897       -3.08002       -1.63537
  H       -3.24445       -4.03307       -1.47722
  C       -4.06622       -3.50189       -1.42640
  H       -5.41075        1.80359       -1.23609
  H       -3.96670        5.07956       -1.08261
  H        5.89494        2.24331       -1.08590
  H        2.95880        2.61152       -1.34716
  H        5.52795       -2.67732       -1.05700
  H        0.55404        2.26940       -1.40320
  C        0.63384        1.32342       -1.42519
  C        4.44340        4.45586       -0.84831
  C        4.98638       -3.46321       -0.83400
  H        3.59584        4.94065       -0.77266
  C        1.45339       -0.82951       -1.16276
  H        5.57573       -4.21507       -0.61597
  C       -3.33432        4.38767       -0.79669
  H        5.17230        5.01635       -0.51043
  C        2.23724       -2.08871       -0.93309
  C        1.73319        0.56453       -0.90061
  O       -3.41859       -0.59166       -0.79793
  H       -6.40742       -2.93046       -0.26513
  N        3.26074        2.37641       -0.60233
  H       -5.60688       -1.54569       -0.32518
  C       -4.10184        3.14627       -0.36744
  H       -3.28053        1.29254       -0.44196
  C        5.68758        2.40336       -0.14167
  H       -2.80463        4.72087       -0.04280
  C        4.36940        3.17140       -0.03075
  H        6.40742        2.93046        0.26513
  C       -4.36940       -3.17140        0.03075
  H        2.80463       -4.72087        0.04280
  C       -5.68758       -2.40336        0.14167
  C        2.88537        1.16603       -0.16186
  N       -3.16533        2.05031       -0.02765
  N        3.16533       -2.05031        0.02765
  H       -5.17230       -5.01635        0.51043
  H        5.60688        1.54569        0.32518
 Fe        0.00000        0.00000        0.00000
  H       -5.57573        4.21507        0.61597
  C       -2.88537       -1.16603        0.16186
  C        4.10184       -3.14627        0.36744
  H        3.28053       -1.29254        0.44196
  H       -3.59584       -4.94065        0.77266
  C       -4.44340       -4.45586        0.84831
  C       -4.98638        3.46321        0.83400
  N       -3.26074       -2.37641        0.60233
  C        3.33432       -4.38767        0.79669
  H        3.96670       -5.07956        1.08261
  H       -5.52795        2.67732        1.05700
  H       -5.89494       -2.24331        1.08590
  O        3.41859        0.59166        0.79793
  C       -2.23724        2.08871        0.93309
  H        5.41075       -1.80359        1.23609
  C       -1.73319       -0.56453        0.90061
  C        4.06622        3.50189        1.42640
  C       -1.45339        0.82951        1.16276
  C        4.96143       -2.62935        1.51227
  H        3.24445        4.03307        1.47722
  H       -2.95880       -2.61152        1.34716
  H       -4.42321        3.70113        1.60017
  H        5.63231       -3.30431        1.74611
  H        2.73860       -4.16297        1.54065
  H       -4.61046       -4.23488        1.78845
  H        4.81068        4.01518        1.80706
  H       -0.55404       -2.26940        1.40320
  C       -0.63384       -1.32342        1.42519
  O       -1.98897        3.08002        1.63537
  H        3.95020        2.67096        1.93285
  C       -0.18838        0.88501        1.83127
  C        0.31420       -0.42642        1.98249
  H        4.39471       -2.44902        2.29084
  H        0.24440        1.67764        2.12583
  H        1.14026       -0.66525        2.38587
