71
shelx
Co      4.818672    1.841349    4.616783
N       4.181347    1.425128    2.624457
N       1.603759   -0.429722   -0.484762
N       4.350173    2.823947   -1.566013
N       5.930900    0.031092    4.625832
N       6.678313    2.430530    3.815402
N       7.243511    3.583980    3.320298
N       8.616611    1.890183    2.992599
N       9.700682    1.083218    2.566008
H       9.453369    0.753794    1.772845
H      10.387068    1.631636    2.474596
N      10.609018    3.746733    2.017350
C       3.830965    1.334312    1.530002
C       2.413564    0.314711   -0.164357
C       3.935679    2.114195   -0.766386
C       5.502655   -1.133658    5.120013
H       4.647482   -1.166180    5.532753
C       6.253670   -2.294990    5.054454
H       5.925315   -3.104072    5.429337
C       7.481356   -2.256228    4.439499
H       8.004676   -3.045650    4.364707
C       7.954632   -1.053549    3.927036
H       8.802783   -1.004693    3.501368
C       7.160431    0.069122    4.052612
C       7.507867    1.425130    3.617711
C       8.408034    3.230341    2.805158
C       9.336213    4.161613    2.148651
C       8.874619    5.389361    1.694359
H       7.962582    5.634512    1.791312
C       9.781884    6.245166    1.096948
H       9.505937    7.100016    0.787623
C      11.093295    5.841626    0.956597
H      11.734089    6.413217    0.548474
C      11.459508    4.594769    1.419199
H      12.362497    4.321302    1.307473
C       3.395444    1.252983    0.208679
N       5.455997    2.257571    6.609110
N       8.033586    4.112421    9.718329
N       5.287172    0.858752   10.799579
N       3.706445    3.651607    4.607734
N       2.959032    1.252169    5.418164
N       2.393834    0.098719    5.913268
N       1.020734    1.792516    6.240968
N      -0.063337    2.599481    6.667558
H       0.183976    2.928905    7.460722
H      -0.749723    2.051063    6.758971
N      -0.971673   -0.064034    7.216217
C       5.806380    2.348387    7.703565
C       7.223781    3.367987    9.397924
C       5.701665    1.568504    9.999953
C       4.134690    4.816357    4.113554
H       4.989862    4.848879    3.700813
C       3.383675    5.977688    4.179112
H       3.712030    6.786771    3.804229
C       2.155988    5.938926    4.794068
H       1.632669    6.728349    4.868860
C       1.682713    4.736248    5.306531
H       0.834562    4.687392    5.732198
C       2.476914    3.613577    5.180954
C       2.129478    2.257569    5.615855
C       1.229311    0.452358    6.428409
C       0.301131   -0.478914    7.084916
C       0.762726   -1.706662    7.539207
H       1.674763   -1.951813    7.442255
C      -0.144539   -2.562467    8.136619
H       0.131408   -3.417317    8.445943
C      -1.455950   -2.158927    8.276969
H      -2.096744   -2.730518    8.685093
C      -1.822164   -0.912070    7.814367
H      -2.725152   -0.638603    7.926093
C       6.241901    2.429716    9.024888
