 17
nit-m-001
  C   -0.777832   -0.924088    1.072342
  C    0.618561   -0.913986    1.209137
  C    1.312561    0.283096    1.450439
  C    0.597458    1.476990    1.520340
  C   -0.794327    1.476303    1.386032
  C   -1.475723    0.282500    1.156128
  H   -1.318024   -1.877686    0.919647
  O    2.575851   -2.132385    1.019653
  H    2.405060    0.264694    1.618637
  H    1.121750    2.405900    1.797440
  H   -1.360535    2.414902    1.506836
  H   -2.575836    0.278992    1.071655
  N    1.381561   -2.195786    1.125336
  O    0.774857   -3.226791    1.147034
  N    1.199753    2.385605   -1.268753
  O    1.720963    3.226791   -0.757751
  O    0.680954    1.554504   -1.797455
 17
nit-m-001
  C   -0.777832   -0.924088    1.072342
  C    0.618561   -0.913986    1.209137
  C    1.312561    0.283096    1.450439
  C    0.597458    1.476990    1.520340
  C   -0.794327    1.476303    1.386032
  C   -1.475723    0.282500    1.156128
  H   -1.318024   -1.877686    0.919647
  O    2.575851   -2.132385    1.019653
  H    2.405060    0.264694    1.618637
  H    1.121750    2.405900    1.797440
  H   -1.360535    2.414902    1.506836
  H   -2.575836    0.278992    1.071655
  N    1.381561   -2.195786    1.125336
  O    0.774857   -3.226791    1.147034
  N    1.199753    2.385605   -1.268753
  O    1.720963    3.226791   -0.757751
  O    0.680954    1.554504   -1.797455
 17
nit-m-002
  C   -0.777939   -0.919785    1.062851
  C    0.619537   -0.913284    1.189438
  C    1.319641    0.284393    1.407837
  C    0.608643    1.481293    1.472137
  C   -0.784439    1.483994    1.348236
  C   -1.471344    0.290298    1.135849
  H   -1.323044   -1.874084    0.927460
  O    2.571945   -2.145187    1.034653
  H    2.414642    0.264297    1.566238
  H    1.136734    2.409088    1.746048
  H   -1.346939    2.425491    1.464935
  H   -2.571945    0.289490    1.058365
  N    1.376343   -2.200394    1.127548
  O    0.762634   -3.226990    1.157242
  N    1.176544    2.378600   -1.231842
  O    1.703140    3.226990   -0.738037
  O    0.653046    1.541397   -1.746048
 17
nit-m-003
  C   -0.778290   -0.911072    1.068253
  C    0.623291   -0.905685    1.143127
  C    1.333282    0.295807    1.295135
  C    0.624390    1.494202    1.368134
  C   -0.771500    1.500504    1.269333
  C   -1.466600    0.303909    1.110229
  H   -1.330400   -1.868073    0.995544
  O    2.568893   -2.157181    1.056747
  H    2.432983    0.277008    1.410828
  H    1.156693    2.417800    1.651733
  H   -1.328003    2.447311    1.371338
  H   -2.568893    0.304611    1.056747
  N    1.371689   -2.199585    1.123825
  O    0.746292   -3.218384    1.171829
  N    1.145889    2.360900   -1.157852
  O    1.678787    3.218400   -0.685760
  O    0.616089    1.515213   -1.651749
 17
nit-m-004
  C   -0.774536   -0.900925    1.093964
  C    0.630951   -0.898331    1.104843
  C    1.345245    0.304550    1.180145
  C    0.633759    1.507248    1.252151
  C   -0.768051    1.515549    1.179352
  C   -1.465530    0.315048    1.100464
  H   -1.329132   -1.860336    1.094360
  O    2.569550   -2.166428    1.069260
  H    2.449646    0.291656    1.248444
  H    1.161652    2.416656    1.593643
  H   -1.318436    2.469559    1.247238
  H   -2.569534    0.311157    1.085052
  N    1.372147   -2.198730    1.117844
  O    0.733658   -3.208237    1.178345
  N    1.110855    2.313858   -1.026535
  O    1.664948    3.208252   -0.648438
  O    0.598755    1.499359   -1.593643
 17
nit-m-005
  C   -0.771927   -0.895432    1.100220
  C    0.637756   -0.895340    1.099518
  C    1.352646    0.302750    1.140503
  C    0.642349    1.522446    1.170990
  C   -0.772339    1.521957    1.144500
  C   -1.465836    0.322159    1.105591
  H   -1.326538   -1.856628    1.110596
  O    2.571045   -2.169037    1.072418
  H    2.459457    0.294449    1.192490
  H    1.160156    2.412048    1.585693
  H   -1.319641    2.479950    1.197296
  H   -2.571030    0.313446    1.113693
  N    1.374954   -2.201035    1.119003
  O    0.729248   -3.205032    1.179794
  N    1.084457    2.271149   -0.912094
  O    1.661545    3.205048   -0.653488
  O    0.602158    1.506546   -1.585693
 17
nit-m-006
  C   -0.771088   -0.890335    1.097244
  C    0.642792   -0.890533    1.094559
  C    1.357895    0.301559    1.111938
  C    0.652100    1.541656    1.090652
  C   -0.776993    1.527954    1.117935
  C   -1.465698    0.329758    1.106842
  H   -1.325700   -1.853333    1.106735
  O    2.571793   -2.168030    1.069260
  H    2.466888    0.296356    1.156036
  H    1.156800    2.407257    1.581039
  H   -1.322586    2.488861    1.164444
  H   -2.571793    0.317749    1.132339
  N    1.377197   -2.201126    1.116135
  O    0.726395   -3.201035    1.175842
  N    1.065094    2.242050   -0.830948
  O    1.657089    3.201050   -0.661545
  O    0.606400    1.516052   -1.581039
 17
nit-m-007
  C   -0.771194   -0.886002    1.090790
  C    0.645691   -0.886002    1.090790
  C    1.360992    0.301285    1.090790
  C    0.660202    1.558884    1.024597
  C   -0.780594    1.532990    1.098587
  C   -1.465286    0.336288    1.106781
  H   -1.326981   -1.849792    1.098587
  O    2.571991   -2.166092    1.064804
  H    2.471405    0.297897    1.131775
  H    1.152496    2.401688    1.576782
  H   -1.325089    2.495789    1.144089
  H   -2.571991    0.322586    1.145676
  N    1.378494   -2.200195    1.112885
  O    0.724503   -3.197495    1.171082
  N    1.051605    2.223389   -0.776703
  O    1.652603    3.197495   -0.667404
  O    0.609100    1.523285   -1.576797
 17
nit-m-008
  C   -0.771408   -0.880295    1.086548
  C    0.648788   -0.878693    1.085648
  C    1.364395    0.302597    1.064453
  C    0.670700    1.582703    0.937363
  C   -0.785492    1.539703    1.072662
  C   -1.464386    0.345093    1.106949
  H   -1.326294   -1.846191    1.089340
  O    2.571686   -2.162888    1.059952
  H    2.476395    0.301193    1.105240
  H    1.143585    2.392900    1.568542
  H   -1.329086    2.504500    1.118744
  H   -2.571686    0.329697    1.162949
  N    1.379486   -2.197983    1.108734
  O    0.721298   -3.191681    1.165237
  N    1.034790    2.201508   -0.710342
  O    1.645386    3.191696   -0.670547
  O    0.611694    1.533203   -1.568542
 17
nit-m-009
  C   -0.771912   -0.875397    1.082443
  C    0.650085   -0.873093    1.082047
  C    1.366287    0.303802    1.041656
  C    0.676285    1.597702    0.876556
  C   -0.789490    1.545395    1.051163
  C   -1.463700    0.352005    1.108536
  H   -1.327194   -1.841980    1.081940
  O    2.570892   -2.160477    1.056763
  H    2.479294    0.303802    1.081635
  H    1.134995    2.383698    1.559647
  H   -1.332092    2.511505    1.097946
  H   -2.570892    0.336197    1.181335
  N    1.379684   -2.195877    1.106644
  O    0.718185   -3.186890    1.161133
  N    1.023193    2.187805   -0.666946
  O    1.638992    3.186905   -0.669647
  O    0.612091    1.539307   -1.559647
 17
nit-m-010
  C   -0.771500   -0.870209    1.082733
  C    0.651489   -0.871918    1.063751
  C    1.369797    0.297195    0.978348
  C    0.672897    1.597092    0.814255
  C   -0.800186    1.548294    0.999161
  C   -1.464996    0.356995    1.113342
  H   -1.327682   -1.836990    1.089035
  O    2.569900   -2.164200    1.052658
  H    2.484100    0.298584    0.983658
  H    1.115189    2.350586    1.553146
  H   -1.341888    2.516495    1.014160
  H   -2.569885    0.339493    1.221542
  N    1.378998   -2.196991    1.098938
  O    0.710892   -3.182892    1.153946
  N    1.012390    2.179291   -0.638138
  O    1.631700    3.182892   -0.659149
  O    0.609589    1.543396   -1.553146
 17
nit-m-011
  C   -0.771408   -0.892288    1.165298
  C    0.648895   -0.896988    1.081406
  C    1.363693    0.266296    0.924911
  C    0.664000    1.567596    0.791809
  C   -0.808380    1.520203    0.979614
  C   -1.466385    0.333800    1.163391
  H   -1.325592   -1.857590    1.237900
  O    2.568207   -2.189285    1.095291
  H    2.477402    0.262009    0.865509
  H    1.101303    2.290909    1.567688
  H   -1.355179    2.485596    0.952911
  H   -2.568192    0.319504    1.297500
  N    1.377000   -2.221283    1.131302
  O    0.707504   -3.205887    1.192993
  N    1.016602    2.200806   -0.625488
  O    1.635406    3.205902   -0.604889
  O    0.627396    1.596207   -1.567688
 17
nit-m-012
  C   -0.770050   -0.913239    1.248734
  C    0.645340   -0.923447    1.109146
  C    1.354843    0.232346    0.884048
  C    0.656952    1.536148    0.773758
  C   -0.813736    1.490738    0.970551
  C   -1.465546    0.311646    1.215637
  H   -1.320831   -1.874146    1.381638
  O    2.564743   -2.215744    1.140335
  H    2.463745    0.219833    0.769150
  H    1.092743    2.229935    1.581345
  H   -1.365143    2.452240    0.912659
  H   -2.564743    0.302444    1.372833
  N    1.373550   -2.247345    1.174438
  O    0.703842   -3.230942    1.248138
  N    1.019653    2.223846   -0.609253
  O    1.634140    3.230942   -0.541748
  O    0.643250    1.659637   -1.581345
 17
nit-m-013
  C   -0.768860   -0.922440    1.286789
  C    0.643539   -0.936249    1.121109
  C    1.349640    0.215042    0.862915
  C    0.653351    1.520233    0.764404
  C   -0.816544    1.476242    0.966003
  C   -1.464935    0.301346    1.239197
  H   -1.317444   -1.880341    1.448090
  O    2.562653   -2.228943    1.159500
  H    2.455353    0.197739    0.721008
  H    1.089142    2.198639    1.587189
  H   -1.370041    2.435745    0.894409
  H   -2.562637    0.294739    1.406998
  N    1.371552   -2.259949    1.195694
  O    0.701645   -3.242538    1.279892
  N    1.020554    2.234940   -0.600693
  O    1.632248    3.242538   -0.509491
  O    0.650452    1.691742   -1.587189
