 17
nit-o-001
  C   -1.192200   -0.540894    0.909943
  C    0.200089   -0.528900    1.048935
  C    0.894684    0.678100    1.265625
  C    0.207687    1.882202    1.165726
  C   -1.177094    1.884705    0.960831
  C   -1.873596    0.681107    0.883041
  H   -1.743300   -1.495377    0.822144
  O    0.462585   -2.843384    1.126236
  O    2.130585   -1.675079    0.560150
  H    0.740494    2.836000    1.315125
  H   -1.720596    2.843400    0.900543
  H   -2.974594    0.682312    0.799149
  N    0.982285   -1.791183    0.930725
  H    1.946289    0.657410    1.602737
  N    2.240982    0.750610   -1.097260
  O    2.974594    1.421112   -0.593552
  O    1.496582    0.096298   -1.602753
 17
nit-o-001
  C   -1.192200   -0.540894    0.909943
  C    0.200089   -0.528900    1.048935
  C    0.894684    0.678100    1.265625
  C    0.207687    1.882202    1.165726
  C   -1.177094    1.884705    0.960831
  C   -1.873596    0.681107    0.883041
  H   -1.743300   -1.495377    0.822144
  O    0.462585   -2.843384    1.126236
  O    2.130585   -1.675079    0.560150
  H    0.740494    2.836000    1.315125
  H   -1.720596    2.843400    0.900543
  H   -2.974594    0.682312    0.799149
  N    0.982285   -1.791183    0.930725
  H    1.946289    0.657410    1.602737
  N    2.240982    0.750610   -1.097260
  O    2.974594    1.421112   -0.593552
  O    1.496582    0.096298   -1.602753
 17
nit-o-002
  C   -1.160904   -0.541107    0.909698
  C    0.234085   -0.537003    0.989288
  C    0.932190    0.675888    1.166183
  C    0.251282    1.885100    1.053192
  C   -1.143692    1.890091    0.942383
  C   -1.840500    0.684692    0.922592
  H   -1.721603   -1.493088    0.852600
  O    0.450195   -2.848694    1.114990
  O    2.170288   -1.731384    0.604095
  H    0.799088    2.838287    1.142487
  H   -1.690400    2.848694    0.914000
  H   -2.945190    0.684296    0.916107
  N    1.003983   -1.813995    0.915207
  H    1.969482    0.653900    1.551682
  N    2.176895    0.770889   -1.001892
  O    2.945190    1.440491   -0.548203
  O    1.465195    0.113693   -1.551697
 17
nit-o-003
  C   -1.149094   -0.544052    0.913147
  C    0.240692   -0.541946    0.958237
  C    0.954498    0.678955    1.080231
  C    0.257797    1.893143    1.012131
  C   -1.138092    1.894043    0.947632
  C   -1.831680    0.686844    0.933731
  H   -1.715881   -1.494843    0.880646
  O    0.441696   -2.851242    1.115433
  O    2.178604   -1.750443    0.618057
  H    0.809891    2.847153    1.079636
  H   -1.689590    2.851242    0.946136
  H   -2.937485    0.682648    0.941940
  N    1.008698   -1.825729    0.903946
  H    1.963196    0.655548    1.546341
  N    2.099900    0.770248   -0.886551
  O    2.937500    1.439041   -0.550446
  O    1.466690    0.120453   -1.546341
 17
nit-o-004
  C   -1.140732   -0.547058    0.910004
  C    0.244247   -0.545547    0.937592
  C    0.976059    0.680344    1.016388
  C    0.260452    1.898346    0.989502
  C   -1.132935    1.895248    0.946091
  C   -1.827225    0.687149    0.930298
  H   -1.710938   -1.497345    0.891006
  O    0.439560   -2.853333    1.109787
  O    2.182755   -1.757843    0.617203
  H    0.814651    2.853348    1.047500
  H   -1.687836    2.851547    0.956390
  H   -2.934036    0.681244    0.938492
  N    1.013046   -1.832642    0.892105
  H    1.956360    0.657242    1.549698
  N    2.058258    0.766846   -0.824585
  O    2.934052    1.434738   -0.561188
  O    1.473053    0.124847   -1.549698
 17
nit-o-005
  C   -1.130341   -0.552353    0.903656
  C    0.249252   -0.551758    0.912643
  C    1.006149    0.679657    0.938141
  C    0.264053    1.901550    0.963745
  C   -1.124954    1.893646    0.941544
  C   -1.821533    0.684250    0.921555
  H   -1.703339   -1.502731    0.899261
  O    0.439545   -2.857941    1.100250
  O    2.188141   -1.766830    0.611557
  H    0.820251    2.857956    1.015045
  H   -1.683533    2.849045    0.963547
  H   -2.929733    0.677444    0.926346
  N    1.019348   -1.842041    0.876465
  H    1.945145    0.657654    1.553940
  N    2.018051    0.759857   -0.764633
  O    2.929749    1.426453   -0.574631
  O    1.481049    0.127350   -1.553940
 17
nit-o-006
  C   -1.125504   -0.554504    0.900497
  C    0.251785   -0.554504    0.900497
  C    1.021194    0.679291    0.900497
  C    0.265991    1.902893    0.951492
  C   -1.120605    1.892883    0.939194
  C   -1.818695    0.682892    0.916794
  H   -1.698395   -1.505890    0.903595
  O    0.439987   -2.859894    1.095291
  O    2.190887   -1.770600    0.608200
  H    0.822983    2.859894    1.000885
  H   -1.680800    2.847885    0.966187
  H   -2.927490    0.676086    0.918884
  N    1.022491   -1.846100    0.869003
  H    1.938385    0.658081    1.555084
  N    2.000992    0.756790   -0.738998
  O    2.927490    1.422394   -0.580490
  O    1.484589    0.128494   -1.555100
 17
nit-o-007
  C   -1.118896   -0.556885    0.897491
  C    0.255997   -0.557587    0.886505
  C    1.039597    0.679306    0.856918
  C    0.268800    1.904602    0.937500
  C   -1.115005    1.891495    0.937195
  C   -1.814880    0.680695    0.911300
  H   -1.693588   -1.507980    0.908691
  O    0.440994   -2.862289    1.090103
  O    2.194702   -1.775391    0.604919
  H    0.826400    2.862305    0.986100
  H   -1.677078    2.845993    0.971802
  H   -2.924484    0.673706    0.910797
  N    1.026703   -1.850983    0.861008
  H    1.930206    0.659103    1.555389
  N    1.982605    0.752792   -0.709991
  O    2.924500    1.417404   -0.585785
  O    1.488907    0.129898   -1.555389
 17
nit-o-008
  C   -1.111954   -0.559204    0.895142
  C    0.260651   -0.560883    0.871063
  C    1.058044    0.679092    0.811859
  C    0.272141    1.906296    0.922043
  C   -1.108658    1.889893    0.935944
  C   -1.810532    0.678391    0.905945
  H   -1.686935   -1.510895    0.916840
  O    0.442154   -2.864792    1.085037
  O    2.199051   -1.780594    0.601852
  H    0.830246    2.864792    0.970245
  H   -1.672440    2.843994    0.979645
  H   -2.920731    0.671402    0.901535
  N    1.031250   -1.856293    0.852753
  H    1.920242    0.660202    1.553848
  N    1.964249    0.748703   -0.680740
  O    2.920746    1.412094   -0.589844
  O    1.492844    0.130997   -1.553848
 17
nit-o-009
  C   -1.102249   -0.562057    0.893585
  C    0.267441   -0.565933    0.848007
  C    1.076736    0.678757    0.758896
  C    0.276947    1.909149    0.898788
  C   -1.099960    1.887650    0.936478
  C   -1.803635    0.675156    0.899979
  H   -1.676941   -1.514328    0.933380
  O    0.443237   -2.868240    1.078888
  O    2.205841   -1.789337    0.599792
  H    0.835938    2.868256    0.943680
  H   -1.665543    2.840652    0.996384
  H   -2.914337    0.668045    0.889984
  N    1.037537   -1.864136    0.841600
  H    1.904343    0.662155    1.549179
  N    1.943649    0.743347   -0.647797
  O    2.914337    1.405350   -0.591095
  O    1.496048    0.131348   -1.549194
 17
nit-o-010
  C   -1.092453   -0.568451    0.895630
  C    0.273956   -0.576843    0.814056
  C    1.075256    0.676849    0.716248
  C    0.275757    1.915039    0.850250
  C   -1.095642    1.886246    0.942032
  C   -1.793533    0.669144    0.907730
  H   -1.667633   -1.519348    0.960342
  O    0.438354   -2.874939    1.063629
  O    2.217148   -1.813141    0.605957
  H    0.836258    2.874939    0.853043
  H   -1.665024    2.835144    1.028732
  H   -2.905334    0.659637    0.903534
  N    1.044449   -1.878647    0.821854
  H    1.870560    0.669937    1.546036
  N    1.932159    0.734650   -0.631454
  O    2.905350    1.400742   -0.582443
  O    1.498550    0.123535   -1.546051
 17
nit-o-011
  C   -1.092209   -0.570648    0.910690
  C    0.273193   -0.578140    0.812607
  C    1.070100    0.677551    0.708405
  C    0.268402    1.915848    0.831100
  C   -1.100906    1.884750    0.948288
  C   -1.795486    0.665344    0.934189
  H   -1.665588   -1.522644    0.981583
  O    0.431091   -2.877335    1.049789
  O    2.218292   -1.818344    0.620193
  H    0.825897    2.877350    0.808900
  H   -1.671494    2.832840    1.036789
  H   -2.906586    0.653046    0.952881
  N    1.042800   -1.881332    0.820602
  H    1.857895    0.678741    1.546387
  N    1.936691    0.731552   -0.629500
  O    2.906600    1.402649   -0.575104
  O    1.513000    0.116440   -1.546402
