64
XYZ file for : ifn17a in space group P2(1)/n
  O        2.89796        0.12369       -3.86408
  O        0.99665       -0.83238       -3.56635
  H       -0.69938        1.32904       -3.25674
  N        1.94034       -0.11601       -3.15795
  H       -2.23316        1.58039       -3.04938
  H       -1.36108       -0.59143       -2.63710
  C       -1.40742        1.35394       -2.59330
  H       -2.08604        3.97446       -2.39686
  O        1.87046        0.34814       -1.98517
  N       -1.54366        0.01109       -1.98007
  H        0.63270       -2.38063       -1.86012
  C       -1.51776        3.73204       -1.70271
  H        2.71086       -2.25205       -1.55510
  H       -3.75706        1.44522       -1.48434
  C       -1.09726        2.41127       -1.58854
  C       -2.82330       -0.32758       -1.46622
  O       -1.95217       -2.51369       -1.40414
  H        0.03586       -4.24959       -1.28365
  C       -3.86331        0.54846       -1.26561
  H       -1.38681        5.54928       -0.90900
  H        2.35866       -3.69942       -1.07097
  C       -3.01898       -1.66622       -1.09669
  C       -1.10950        4.66651       -0.81920
  C       -5.07243        0.10944       -0.73729
  N        0.77035       -2.42857       -0.96216
  C        2.23655       -2.75706       -0.87610
  H       -5.76634        0.71436       -0.60118
  C       -4.18196       -2.10465       -0.59355
  C       -5.24731       -1.22395       -0.41327
  C       -0.02609       -3.58093       -0.58355
  H       -4.27704       -3.00086       -0.36263
  N       -0.30634        2.05712       -0.57383
  H       -6.06175       -1.52739       -0.08177
  H       -1.93633       -4.08264       -0.26385
  C       -1.43055       -3.25925       -0.35825
 Cd        0.32997       -0.21139       -0.25306
  C       -0.28032        4.30432        0.21287
  H        0.34417       -3.96634        0.22575
  H        3.76366       -2.72649        0.45981
  C        0.10396        2.98538        0.31347
  C        2.83068       -2.46108        0.44157
  H       -1.51598       -2.76012        0.46889
  H        2.34829        1.62376        0.48470
  H        0.01292        4.93497        0.83012
  O        2.71119       -1.04322        0.64534
  H        2.35880       -2.94219        1.13913
  N        1.73435        1.31423        1.08082
  C        0.97081        2.51773        1.46043
  O       -1.48884        0.24883        1.56175
  H        1.58513        3.22498        1.71100
  C        3.04389       -0.52991        1.87332
  O       -0.11412       -1.28090        1.99661
  C        2.52901        0.75104        2.13196
  H        0.41207        2.31823        2.22722
  N       -1.16836       -0.62265        2.33037
  H        4.23056       -1.97421        2.62560
  C        3.86526       -1.13760        2.80538
  C        2.80078        1.35733        3.34207
  O       -1.73516       -0.88630        3.36661
  H        2.43830        2.19168        3.53342
  C        4.14133       -0.51723        3.98361
  C        3.60490        0.73060        4.26911
  H        4.69498       -0.93422        4.60510
  H        3.78741        1.14261        5.08219
