 17
nit-p-001
  C   -0.781600   -0.928940    1.341995
  C    0.620697   -0.932938    1.275894
  C    1.352203    0.263657    1.341293
  C    0.665192    1.469147    1.481888
  C   -0.728607    1.481354    1.557190
  C   -1.448593    0.287857    1.481995
  H   -1.344589   -1.880829    1.312393
  N   -1.249893    2.396957   -1.244492
  H    2.457993    0.244446    1.310593
  H    1.237396    2.404953    1.592392
  H   -1.256088    2.424850    1.772690
  H   -2.545395    0.290649    1.592789
  N    1.348495   -2.235733    1.174408
  O    2.545395   -2.214233    1.121506
  O    0.703293   -3.245041    1.145111
  O   -1.758087    3.245056   -0.731186
  O   -0.746902    1.556244   -1.772690
 17
nit-p-001
  C   -0.781600   -0.928940    1.341995
  C    0.620697   -0.932938    1.275894
  C    1.352203    0.263657    1.341293
  C    0.665192    1.469147    1.481888
  C   -0.728607    1.481354    1.557190
  C   -1.448593    0.287857    1.481995
  H   -1.344589   -1.880829    1.312393
  N   -1.249893    2.396957   -1.244492
  H    2.457993    0.244446    1.310593
  H    1.237396    2.404953    1.592392
  H   -1.256088    2.424850    1.772690
  H   -2.545395    0.290649    1.592789
  N    1.348495   -2.235733    1.174408
  O    2.545395   -2.214233    1.121506
  O    0.703293   -3.245041    1.145111
  O   -1.758087    3.245056   -0.731186
  O   -0.746902    1.556244   -1.772690
 17
nit-p-002
  C   -0.782654   -0.924438    1.282089
  C    0.620239   -0.929138    1.227081
  C    1.351639    0.268051    1.281693
  C    0.664749    1.473755    1.421783
  C   -0.728760    1.484955    1.504684
  C   -1.449539    0.292343    1.421692
  H   -1.345840   -1.876236    1.250092
  N   -1.244232    2.389847   -1.219803
  H    2.457443    0.248947    1.248581
  H    1.237244    2.409454    1.530289
  H   -1.254837    2.426254    1.736786
  H   -2.546432    0.295151    1.530380
  N    1.349045   -2.234131    1.163300
  O    2.546448   -2.213333    1.128296
  O    0.703751   -3.243439    1.153198
  O   -1.756241    3.243454   -0.719696
  O   -0.737549    1.544144   -1.736800
 17
nit-p-003
  C   -0.781800   -0.908646    1.119446
  C    0.622192   -0.912842    1.104950
  C    1.354889    0.284943    1.118958
  C    0.667694    1.492432    1.234436
  C   -0.725006    1.499039    1.341843
  C   -1.449800    0.309631    1.234344
  H   -1.344391   -1.861252    1.086548
  N   -1.215591    2.359634   -1.140549
  H    2.461000    0.264542    1.084747
  H    1.239288    2.431534    1.320831
  H   -1.244492    2.428741    1.631134
  H   -2.549088    0.315338    1.321045
  N    1.351791   -2.219040    1.133133
  O    2.549088   -2.196442    1.135544
  O    0.704498   -3.226242    1.162537
  O   -1.735886    3.226242   -0.670547
  O   -0.701309    1.502640   -1.631149
 17
nit-p-004
  C   -0.780060   -0.905487    1.116089
  C    0.625641   -0.905090    1.121400
  C    1.363037    0.291900    1.115494
  C    0.677734    1.502000    1.155579
  C   -0.724564    1.511993    1.224182
  C   -1.451340    0.312500    1.155777
  H   -1.338745   -1.861984    1.117400
  N   -1.173950    2.300491   -0.973404
  H    2.470535    0.266098    1.115692
  H    1.244644    2.447388    1.206482
  H   -1.235245    2.426498    1.582687
  H   -2.553543    0.325394    1.207474
  N    1.357132   -2.214691    1.150787
  O    2.553543   -2.187988    1.144485
  O    0.707031   -3.218994    1.171982
  O   -1.723846    3.218994   -0.641312
  O   -0.689468    1.495987   -1.582703
 17
nit-p-005
  C   -0.780060   -0.903687    1.119202
  C    0.627045   -0.902496    1.124710
  C    1.365845    0.295395    1.118713
  C    0.683548    1.504898    1.138397
  C   -0.727158    1.521591    1.175690
  C   -1.452545    0.311493    1.138794
  H   -1.336838   -1.861893    1.131989
  N   -1.157532    2.277100   -0.908890
  H    2.473846    0.267090    1.130386
  H    1.249146    2.452500    1.181000
  H   -1.231232    2.424393    1.578690
  H   -2.555832    0.326492    1.182190
  N    1.360245   -2.215088    1.151993
  O    2.555847   -2.185898    1.144700
  O    0.708450   -3.217500    1.172287
  O   -1.719940    3.217500   -0.644791
  O   -0.690048    1.501892   -1.578690
 17
nit-p-006
  C   -0.780243   -0.898500    1.120102
  C    0.629257   -0.897400    1.123306
  C    1.369247    0.302597    1.119705
  C    0.692551    1.510391    1.112700
  C   -0.733353    1.541489    1.091507
  C   -1.454330    0.310791    1.113205
  H   -1.334427   -1.859390    1.148590
  N   -1.135040    2.246887   -0.824692
  H    2.478058    0.270691    1.147186
  H    1.256653    2.460785    1.147293
  H   -1.223633    2.419586    1.574800
  H   -2.559433    0.328598    1.148895
  N    1.365158   -2.214890    1.147690
  O    2.559448   -2.181686    1.140091
  O    0.710556   -3.214096    1.167892
  O   -1.712830    3.214096   -0.653595
  O   -0.691452    1.512787   -1.574800
 17
nit-p-007
  C   -0.780502   -0.892548    1.119141
  C    0.630783   -0.892548    1.119141
  C    1.370987    0.309540    1.119141
  C    0.699585    1.515549    1.091553
  C   -0.740112    1.561752    1.014343
  C   -1.455597    0.311646    1.092041
  H   -1.332596   -1.855347    1.161331
  N   -1.118591    2.225449   -0.762756
  H    2.480484    0.275345    1.158829
  H    1.262894    2.468048    1.124130
  H   -1.215790    2.412949    1.571030
  H   -2.562088    0.331345    1.124741
  N    1.368896   -2.213837    1.141632
  O    2.562088   -2.177338    1.134033
  O    0.712189   -3.210434    1.162140
  O   -1.706192    3.210449   -0.660645
  O   -0.692505    1.522537   -1.571045
 17
nit-p-008
  C   -0.780548   -0.887253    1.118042
  C    0.632248   -0.888351    1.114441
  C    1.371841    0.315659    1.117447
  C    0.704239    1.520050    1.073151
  C   -0.745956    1.577759    0.953751
  C   -1.456741    0.312454    1.074158
  H   -1.332138   -1.851028    1.169037
  N   -1.106140    2.210953   -0.719238
  H    2.481735    0.280258    1.167542
  H    1.267044    2.474060    1.105560
  H   -1.208145    2.405655    1.567245
  H   -2.564148    0.333160    1.107758
  N    1.371841   -2.212433    1.135834
  O    2.564148   -2.173630    1.128738
  O    0.713440   -3.207031    1.156647
  O   -1.700439    3.207047   -0.664948
  O   -0.693161    1.529556   -1.567245
 17
nit-p-009
  C   -0.780655   -0.882858    1.117981
  C    0.633133   -0.885056    1.111679
  C    1.372131    0.320343    1.117386
  C    0.707733    1.523651    1.059097
  C   -0.749969    1.589249    0.909103
  C   -1.457642    0.313446    1.060303
  H   -1.331650   -1.847046    1.177887
  N   -1.097641    2.200943   -0.688004
  H    2.482239    0.284439    1.176285
  H    1.269943    2.478638    1.092102
  H   -1.201950    2.398849    1.562790
  H   -2.565643    0.335037    1.094696
  N    1.373840   -2.211136    1.131989
  O    2.565643   -2.170639    1.125183
  O    0.714233   -3.204346    1.153091
  O   -1.695953    3.204346   -0.666306
  O   -0.693466    1.534546   -1.562805
 17
nit-p-010
  C   -0.780426   -0.877808    1.118637
  C    0.634155   -0.881409    1.109238
  C    1.372253    0.325485    1.117935
  C    0.711746    1.527695    1.041458
  C   -0.752548    1.598984    0.864761
  C   -1.458633    0.314484    1.042953
  H   -1.331039   -1.842194    1.190536
  N   -1.089325    2.191788   -0.658646
  H    2.482254    0.289291    1.188736
  H    1.273148    2.483688    1.073853
  H   -1.194031    2.389786    1.556946
  H   -2.567139    0.337280    1.076950
  N    1.375946   -2.209396    1.127945
  O    2.567154   -2.167297    1.121246
  O    0.715256   -3.201294    1.149139
  O   -1.690933    3.201294   -0.665741
  O   -0.693054    1.539291   -1.556946
 17
nit-p-011
  C   -0.779282   -0.883057    1.131302
  C    0.635696   -0.881866    1.130402
  C    1.377594    0.323044    1.129700
  C    0.726500    1.520538    0.981018
  C   -0.744507    1.585342    0.804214
  C   -1.459183    0.298248    0.983414
  H   -1.327286   -1.846848    1.232300
  N   -1.084885    2.186646   -0.633392
  H    2.485794    0.285538    1.228790
  H    1.288406    2.477234    0.962219
  H   -1.166183    2.340439    1.557190
  H   -2.568588    0.320648    0.967606
  N    1.378006   -2.210449    1.132202
  O    2.568604   -2.165344    1.115097
  O    0.715302   -3.200638    1.142502
  O   -1.688690    3.200638   -0.641891
  O   -0.699005    1.552734   -1.557190
 17
nit-p-012
  C   -0.780182   -0.900543    1.149185
  C    0.634400   -0.898651    1.163193
  C    1.376404    0.305634    1.146896
  C    0.727905    1.499344    0.960800
  C   -0.743500    1.563538    0.790009
  C   -1.458588    0.276337    0.963608
  H   -1.329178   -1.862839    1.259689
  N   -1.104675    2.202637   -0.620590
  H    2.484009    0.270035    1.254883
  H    1.292800    2.453537    0.914505
  H   -1.154877    2.300232    1.570282
  H   -2.567383    0.294739    0.920700
  N    1.377000   -2.227142    1.171692
  O    2.567398   -2.181351    1.152893
  O    0.714310   -3.217239    1.179382
  O   -1.708481    3.217239   -0.590698
  O   -0.734497    1.597946   -1.570297
 17
nit-p-013
  C   -0.780594   -0.910645    1.146240
  C    0.633698   -0.908447    1.168533
  C    1.375793    0.295547    1.143646
  C    0.727905    1.488037    0.946655
  C   -0.743805    1.552948    0.782150
  C   -1.458481    0.265045    0.949661
  H   -1.330078   -1.872543    1.257843
  N   -1.116577    2.212738   -0.614044
  H    2.483200    0.260742    1.252640
  H    1.294205    2.441040    0.890762
  H   -1.149185    2.278946    1.576935
  H   -2.566986    0.281448    0.897354
  N    1.376404   -2.236740    1.191437
  O    2.567000   -2.191040    1.177933
  O    0.713806   -3.226944    1.203842
  O   -1.720490    3.226944   -0.563141
  O   -0.755005    1.623947   -1.576950
