44
XYZ file for : jdr6 in space group P2(1)/c
  O        2.67927       -1.81930       -3.43671
  H        4.93550        2.46418       -3.06354
  O        4.07431       -3.28197       -2.70630
  H        3.63555        4.33051       -2.61682
  C        4.11490        2.37564       -2.63355
  N        3.25242       -2.35681       -2.50540
  C        3.34063        3.48329       -2.36912
  H        4.18462        0.38438       -2.40760
  C        3.65150        1.13099       -2.25084
  C        2.12073        3.33049       -1.73095
  N        2.46704        0.96625       -1.66724
  H        1.59565        4.06947       -1.52389
  O        3.02074       -2.02769       -1.34871
  C        1.70478        2.05781       -1.40958
 Cu        1.56773       -0.74677       -1.11316
  C        0.39725        1.77034       -0.82045
  S       -0.04922       -2.32766       -0.79056
  N        0.13813        0.52508       -0.69059
  H       -0.19690        2.43734       -0.56196
  C       -1.20902       -1.25338       -0.16363
  N       -1.03785        0.07970       -0.15910
  H       -1.63084        0.61641        0.15732
  H       -2.47928       -2.59748        0.36664
  N       -2.34122       -1.74987        0.33928
  N       -3.27750       -0.86539        0.81214
  O        2.67712       -0.83936        0.82158
  H       -4.48537       -2.28178        1.30551
  C       -4.35022       -1.36284        1.28131
  O        2.16034       -0.76197        1.18081
  H       -4.33140        1.15860        1.45725
  O        2.75820        1.25815        1.53637
  C       -5.36256       -0.43189        1.78126
  N       -5.08820        0.89331        1.76791
  N        3.01431        0.06213        1.58440
  H       -6.78971       -1.76486        2.27357
  O        4.13937       -0.36532        1.91632
  C       -6.58266       -0.85895        2.25640
  H       -5.73174        2.70969        2.21628
  C       -5.95911        1.80802        2.22567
  C       -7.49752        0.07687        2.70681
  C       -7.17873        1.41466        2.70497
  H       -8.33145       -0.20069        3.01150
  H       -7.78395        2.04427        3.02591
  O        2.92919       -0.31719        2.84420
