68
XYZ file for : ifn20m in space group P2(1)2(1)2(1)
  H       -4.76009       -0.06225       -3.74000
  H       -4.13917       -1.50152       -3.68526
  H       -0.00441        1.47882       -3.49634
  H        1.53602        1.74676       -3.41122
  C       -4.46613       -0.76847       -3.15929
  H        1.16017        4.13304       -2.85661
  H        0.70022       -0.45367       -3.00479
  H       -5.20333       -1.06498       -2.61911
  C        0.75502        1.49108       -2.89420
  O        1.70290       -2.37621       -2.58897
  H        0.75076       -4.11410       -2.45986
  C       -3.40461       -0.27861       -2.30112
  N        0.95991        0.14659       -2.37192
  C        0.77970        3.86075       -2.05203
  C        2.60901       -1.54593       -1.96047
  C        1.30101       -3.56589       -1.87931
  C        2.27326       -0.20114       -1.92772
  C        0.51515        2.53504       -1.82589
  H       -0.74672       -2.40644       -1.82491
  H        2.08893       -4.07899       -1.64518
  H        4.03742       -2.87754       -1.48380
  N       -2.55753        0.09832       -1.65944
  C        3.81825       -1.97400       -1.46120
  H        0.64160        5.69022       -1.21001
  C        3.18005        0.70414       -1.42014
  H        2.97488        1.61028       -1.39890
  C        0.47362        4.78483       -1.07340
  C        4.70605       -1.05862       -0.92776
  C        4.40393        0.25020       -0.93878
  H       -2.67164       -2.64107       -0.89232
  N       -0.66507       -2.40533       -0.91771
  H        5.51083       -1.34883       -0.56172
  H        5.02461        0.86479       -0.61869
  H       -1.89553       -3.97235       -0.58925
  C        0.53770       -3.24396       -0.63622
  N       -0.01401        2.11442       -0.66705
  C       -1.91331       -3.01796       -0.41771
  H        0.25713       -4.06908       -0.21082
 Cd       -0.57023       -0.11925       -0.30777
  C       -0.08110        4.34945        0.10181
  H        1.11720       -2.77244       -0.01819
  C       -0.31789        3.00523        0.29326
  H       -0.29643        4.96056        0.76907
  H       -2.43589        1.53185        0.99453
  C       -2.08074       -2.77990        1.05878
  O       -2.10614       -1.34547        1.21580
  H       -2.90747       -3.17434        1.37743
  N        1.25519       -0.44740        1.27481
  N       -1.65255        1.25663        1.36804
  H       -1.34091       -3.16472        1.55381
  C       -0.86274        2.47543        1.57618
  H        4.23002       -0.40339        1.84218
  C        2.24378       -0.36444        1.80754
  H       -1.42071        3.15232        1.99119
  H       -0.12947        2.28356        2.18040
  C        3.52362       -0.29934        2.48354
  C       -2.26329       -0.80874        2.47649
  C       -2.02283        0.54763        2.57991
  H        3.61219        0.55001        2.92125
  H        3.57738       -1.00095        3.13597
  H       -2.80449       -2.47756        3.51763
  C       -2.64088       -1.56626        3.59139
  C       -2.13061        1.16713        3.81056
  H       -1.95185        2.07546        3.89286
  C       -2.76452       -0.91555        4.81176
  C       -2.51293        0.41638        4.94046
  H       -3.02428       -1.40241        5.55945
  H       -2.59283        0.82941        5.76957
