594
Comment
     H    -1.338702069     0.165095609     2.090773331
     H     2.075516483    -0.686102077     1.188363656
     H    -1.938568999     2.152284987     3.727866950
     H     2.075516483     1.372204154     0.000000000
     H     0.601887656    -1.207108545     2.090773331
     H     0.601887656     2.414217090     0.000000000
     H     2.608930396     1.631278519     2.825457276
     H     0.668340672     3.003482673     2.825457276
     H     2.675383412    -1.110272051     3.727866950
     H    -1.338702069     1.728115014     1.188363656
     H     2.675383412     3.783563506     0.902409674
     H     0.668340672     0.945176442     4.013820933
     C    -0.975606485     0.689857961     1.194869039
     C     0.975606485    -0.689857961     1.194869039
     C    -3.038536732     2.148569928     3.721432279
     C     0.975606485     1.379715922     0.000000000
     C     3.038536732    -2.148569928     3.721432279
     C     3.038536732     4.297139856     0.000000000
     N     0.500851359     0.708310784     1.226830265
     N    -1.506191382     4.260152561     0.000000000
     N    -1.506191382    -2.130076280     3.689400342
     N     4.518574147     0.000000000     0.000000000
     H    -3.345759301    -2.673311950     7.007039434
     H     0.068459250    -3.524509635     6.104629760
     H    -3.945626231    -0.686122571     8.644133054
     H     0.068459250    -1.466203404     4.916266104
     H    -1.405169577    -4.045516104     7.007039434
     H    -1.405169577    -0.424190468     4.916266104
     H     0.601873164    -1.207129039     7.741723380
     H    -1.338716561     0.165075115     7.741723380
     H     0.668326180    -3.948679609     8.644133054
     H    -3.345759301    -1.110292545     6.104629760
     H     0.668326180     0.945155948     5.818675778
     H    -1.338716561    -1.893231116     8.930087036
     C    -2.982663717    -2.148549597     6.111135142
     C    -1.031450747    -3.528265520     6.111135142
     C    -5.045593964    -0.689837630     8.637698382
     C    -1.031450747    -1.458691636     4.916266104
     C     1.031479499    -4.986977486     8.637698382
     C     1.031479499     1.458732297     4.916266104
     N    -1.506205874    -2.130096774     6.143096369
     N    -3.513248615     1.421745002     4.916266104
     N    -3.513248615    -4.968483839     8.605666445
     N     2.511516915    -2.838407558     4.916266104
     H    -5.352816534    -5.511719508    11.923305538
     H    -1.938597982    -6.362917194    11.020895864
     H    -5.952683463    -3.524530129    13.560399158
     H    -1.938597982    -4.304610963     9.832532207
     H    -3.412226809    -6.883923662    11.923305538
     H    -3.412226809    -3.262598026     9.832532207
     H    -1.405184068    -4.045536598    12.657989484
     H    -3.345773793    -2.673332444    12.657989484
     H    -1.338731052    -6.787087167    13.560399158
     H    -5.352816534    -3.948700103    11.020895864
     H    -1.338731052    -1.893251610    10.734941881
     H    -3.345773793    -4.731638675    13.846353140
     C    -4.989720949    -4.986957155    11.027401246
     C    -3.038507980    -6.366673078    11.027401246
     C    -7.052651196    -3.528245189    13.553964486
     C    -3.038507980    -4.297099194     9.832532207
     C    -0.975577733    -7.825385045    13.553964486
     C    -0.975577733    -1.379675261     9.832532207
     N    -3.513263106    -4.968504333    11.059362473
     N    -5.520305847    -1.416662556     9.832532207
     N    -5.520305847    -7.806891397    13.521932549
     N     0.504459682    -5.676815117     9.832532207
     H    -3.345759301     5.841910725     2.090773331
     H     0.068459250     4.990713040     1.188363656
     H    -3.945626231     7.829100104     3.727866950
     H     0.068459250     7.049019271     0.000000000
     H    -1.405169577     4.469706571     2.090773331
     H    -1.405169577     8.091032207     0.000000000
     H     0.601873164     7.308093636     2.825457276
     H    -1.338716561     8.680297790     2.825457276
     H     0.668326180     4.566543066     3.727866950
     H    -3.345759301     7.404930130     1.188363656
     H     0.668326180     9.460378623     0.902409674
     H    -1.338716561     6.621991559     4.013820933
     C    -2.982663717     6.366673078     1.194869039
     C    -1.031450747     4.986957155     1.194869039
     C    -5.045593964     7.825385045     3.721432279
     C    -1.031450747     7.056531039     0.000000000
     C     1.031479499     3.528245189     3.721432279
     C     1.031479499     9.973954972     0.000000000
     N    -1.506205874     6.385125901     1.226830265
     N    -3.513248615     9.936967677     0.000000000
     N    -3.513248615     3.546738836     3.689400342
     N     2.511516915     5.676815117     0.000000000
     H    -5.352816534     3.003503167     7.007039434
     H    -1.938597982     2.152305481     6.104629760
     H    -5.952683463     4.990692546     8.644133054
     H    -1.938597982     4.210611712     4.916266104
     H    -3.412226809     1.631299013     7.007039434
     H    -3.412226809     5.252624649     4.916266104
     H    -1.405184068     4.469686077     7.741723380
     H    -3.345773793     5.841890231     7.741723380
     H    -1.338731052     1.728135508     8.644133054
     H    -5.352816534     4.566522572     6.104629760
     H    -1.338731052     6.621971065     5.818675778
     H    -3.345773793     3.783584000     8.930087036
     C    -4.989720949     3.528265520     6.111135142
     C    -3.038507980     2.148549597     6.111135142
     C    -7.052651196     4.986977486     8.637698382
     C    -3.038507980     4.218123481     4.916266104
     C    -0.975577733     0.689837630     8.637698382
     C    -0.975577733     7.135547414     4.916266104
     N    -3.513263106     3.546718342     6.143096369
     N    -5.520305847     7.098560119     4.916266104
     N    -5.520305847     0.708331278     8.605666445
     N     0.504459682     2.838407558     4.916266104
     H    -7.359873766     0.165095609    11.923305538
     H    -3.945655214    -0.686102077    11.020895864
     H    -7.959740696     2.152284987    13.560399158
     H    -3.945655214     1.372204154     9.832532207
     H    -5.419284041    -1.207108545    11.923305538
     H    -5.419284041     2.414217090     9.832532207
     H    -3.412241300     1.631278519    12.657989484
     H    -5.352831025     3.003482673    12.657989484
     H    -3.345788284    -1.110272051    13.560399158
     H    -7.359873766     1.728115014    11.020895864
     H    -3.345788284     3.783563506    10.734941881
     H    -5.352831025     0.945176442    13.846353140
     C    -6.996778182     0.689857961    11.027401246
     C    -5.045565212    -0.689857961    11.027401246
     C    -9.059708429     2.148569928    13.553964486
     C    -5.045565212     1.379715922     9.832532207
     C    -2.982634965    -2.148569928    13.553964486
     C    -2.982634965     4.297139856     9.832532207
     N    -5.520320338     0.708310784    11.059362473
     N    -7.527363079     4.260152561     9.832532207
     N    -7.527363079    -2.130076280    13.521932549
     N    -1.502597550    -0.000000000     9.832532207
     H    -5.352816534    11.518725842     2.090773331
     H    -1.938597982    10.667528156     1.188363656
     H    -5.952683463    13.505915221     3.727866950
     H    -1.938597982    12.725834387     0.000000000
     H    -3.412226809    10.146521688     2.090773331
     H    -3.412226809    13.767847324     0.000000000
     H    -1.405184068    12.984908752     2.825457276
     H    -3.345773793    14.357112906     2.825457276
     H    -1.338731052    10.243358183     3.727866950
     H    -5.352816534    13.081745247     1.188363656
     H    -1.338731052    15.137193740     0.902409674
     H    -3.345773793    12.298806675     4.013820933
     C    -4.989720949    12.043488195     1.194869039
     C    -3.038507980    10.663772272     1.194869039
     C    -7.052651196    13.502200161     3.721432279
     C    -3.038507980    12.733346156     0.000000000
     C    -0.975577733     9.205060305     3.721432279
     C    -0.975577733    15.650770089     0.000000000
     N    -3.513263106    12.061941017     1.226830265
     N    -5.520305847    15.613782794     0.000000000
     N    -5.520305847     9.223553953     3.689400342
     N     0.504459682    11.353630233     0.000000000
     H    -7.359873766     8.680318284     7.007039434
     H    -3.945655214     7.829120598     6.104629760
     H    -7.959740696    10.667507662     8.644133054
     H    -3.945655214     9.887426829     4.916266104
     H    -5.419284041     7.308114130     7.007039434
     H    -5.419284041    10.929439766     4.916266104
     H    -3.412241300    10.146501194     7.741723380
     H    -5.352831025    11.518705348     7.741723380
     H    -3.345788284     7.404950624     8.644133054
     H    -7.359873766    10.243337689     6.104629760
     H    -3.345788284    12.298786181     5.818675778
     H    -5.352831025     9.460399117     8.930087036
     C    -6.996778182     9.205080636     6.111135142
     C    -5.045565212     7.825364714     6.111135142
     C    -9.059708429    10.663792603     8.637698382
     C    -5.045565212     9.894938597     4.916266104
     C    -2.982634965     6.366652747     8.637698382
     C    -2.982634965    12.812362531     4.916266104
     N    -5.520320338     9.223533459     6.143096369
     N    -7.527363079    12.775375236     4.916266104
     N    -7.527363079     6.385146395     8.605666445
     N    -1.502597550     8.515222675     4.916266104
     H    -9.366930998     5.841910725    11.923305538
     H    -5.952712446     4.990713040    11.020895864
     H    -9.966797928     7.829100104    13.560399158
     H    -5.952712446     7.049019271     9.832532207
     H    -7.426341273     4.469706571    11.923305538
     H    -7.426341273     8.091032207     9.832532207
     H    -5.419298533     7.308093636    12.657989484
     H    -7.359888257     8.680297790    12.657989484
     H    -5.352845517     4.566543066    13.560399158
     H    -9.366930998     7.404930130    11.020895864
     H    -5.352845517     9.460378623    10.734941881
     H    -7.359888257     6.621991559    13.846353140
     C    -9.003835414     6.366673078    11.027401246
     C    -7.052622444     4.986957155    11.027401246
     C   -11.066765661     7.825385045    13.553964486
     C    -7.052622444     7.056531039     9.832532207
     C    -4.989692197     3.528245189    13.553964486
     C    -4.989692197     9.973954972     9.832532207
     N    -7.527377571     6.385125901    11.059362473
     N    -9.534420311     9.936967677     9.832532207
     N    -9.534420311     3.546738836    13.521932549
     N    -3.509654782     5.676815117     9.832532207
     H     4.682469628     0.165095609     2.090773331
     H     8.096688180    -0.686102077     1.188363656
     H     4.082602698     2.152284987     3.727866950
     H     8.096688180     1.372204154     0.000000000
     H     6.623059352    -1.207108545     2.090773331
     H     6.623059352     2.414217090     0.000000000
     H     8.630102093     1.631278519     2.825457276
     H     6.689512368     3.003482673     2.825457276
     H     8.696555109    -1.110272051     3.727866950
     H     4.682469628     1.728115014     1.188363656
     H     8.696555109     3.783563506     0.902409674
     H     6.689512368     0.945176442     4.013820933
     C     5.045565212     0.689857961     1.194869039
     C     6.996778182    -0.689857961     1.194869039
     C     2.982634965     2.148569928     3.721432279
     C     6.996778182     1.379715922     0.000000000
     C     9.059708429    -2.148569928     3.721432279
     C     9.059708429     4.297139856     0.000000000
     N     6.522023055     0.708310784     1.226830265
     N     4.514980315     4.260152561     0.000000000
     N     4.514980315    -2.130076280     3.689400342
     N    10.539745844     0.000000000     0.000000000
     H     2.675412395    -2.673311950     7.007039434
     H     6.089630947    -3.524509635     6.104629760
     H     2.075545466    -0.686122571     8.644133054
     H     6.089630947    -1.466203404     4.916266104
     H     4.616002120    -4.045516104     7.007039434
     H     4.616002120    -0.424190468     4.916266104
     H     6.623044861    -1.207129039     7.741723380
     H     4.682455136     0.165075115     7.741723380
     H     6.689497877    -3.948679609     8.644133054
     H     2.675412395    -1.110292545     6.104629760
     H     6.689497877     0.945155948     5.818675778
     H     4.682455136    -1.893231116     8.930087036
     C     3.038507980    -2.148549597     6.111135142
     C     4.989720949    -3.528265520     6.111135142
     C     0.975577733    -0.689837630     8.637698382
     C     4.989720949    -1.458691636     4.916266104
     C     7.052651196    -4.986977486     8.637698382
     C     7.052651196     1.458732297     4.916266104
     N     4.514965823    -2.130096774     6.143096369
     N     2.507923082     1.421745002     4.916266104
     N     2.507923082    -4.968483839     8.605666445
     N     8.532688611    -2.838407558     4.916266104
     H     0.668355163    -5.511719508    11.923305538
     H     4.082573715    -6.362917194    11.020895864
     H     0.068488233    -3.524530129    13.560399158
     H     4.082573715    -4.304610963     9.832532207
     H     2.608944888    -6.883923662    11.923305538
     H     2.608944888    -3.262598026     9.832532207
     H     4.615987629    -4.045536598    12.657989484
     H     2.675397904    -2.673332444    12.657989484
     H     4.682440645    -6.787087167    13.560399158
     H     0.668355163    -3.948700103    11.020895864
     H     4.682440645    -1.893251610    10.734941881
     H     2.675397904    -4.731638675    13.846353140
     C     1.031450747    -4.986957155    11.027401246
     C     2.982663717    -6.366673078    11.027401246
     C    -1.031479499    -3.528245189    13.553964486
     C     2.982663717    -4.297099194     9.832532207
     C     5.045593964    -7.825385045    13.553964486
     C     5.045593964    -1.379675261     9.832532207
     N     2.507908591    -4.968504333    11.059362473
     N     0.500865850    -1.416662556     9.832532207
     N     0.500865850    -7.806891397    13.521932549
     N     6.525631379    -5.676815117     9.832532207
     H     2.675412395     5.841910725     2.090773331
     H     6.089630947     4.990713040     1.188363656
     H     2.075545466     7.829100104     3.727866950
     H     6.089630947     7.049019271     0.000000000
     H     4.616002120     4.469706571     2.090773331
     H     4.616002120     8.091032207     0.000000000
     H     6.623044861     7.308093636     2.825457276
     H     4.682455136     8.680297790     2.825457276
     H     6.689497877     4.566543066     3.727866950
     H     2.675412395     7.404930130     1.188363656
     H     6.689497877     9.460378623     0.902409674
     H     4.682455136     6.621991559     4.013820933
     C     3.038507980     6.366673078     1.194869039
     C     4.989720949     4.986957155     1.194869039
     C     0.975577733     7.825385045     3.721432279
     C     4.989720949     7.056531039     0.000000000
     C     7.052651196     3.528245189     3.721432279
     C     7.052651196     9.973954972     0.000000000
     N     4.514965823     6.385125901     1.226830265
     N     2.507923082     9.936967677     0.000000000
     N     2.507923082     3.546738836     3.689400342
     N     8.532688611     5.676815117     0.000000000
     H     0.668355163     3.003503167     7.007039434
     H     4.082573715     2.152305481     6.104629760
     H     0.068488233     4.990692546     8.644133054
     H     4.082573715     4.210611712     4.916266104
     H     2.608944888     1.631299013     7.007039434
     H     2.608944888     5.252624649     4.916266104
     H     4.615987629     4.469686077     7.741723380
     H     2.675397904     5.841890231     7.741723380
     H     4.682440645     1.728135508     8.644133054
     H     0.668355163     4.566522572     6.104629760
     H     4.682440645     6.621971065     5.818675778
     H     2.675397904     3.783584000     8.930087036
     C     1.031450747     3.528265520     6.111135142
     C     2.982663717     2.148549597     6.111135142
     C    -1.031479499     4.986977486     8.637698382
     C     2.982663717     4.218123481     4.916266104
     C     5.045593964     0.689837630     8.637698382
     C     5.045593964     7.135547414     4.916266104
     N     2.507908591     3.546718342     6.143096369
     N     0.500865850     7.098560119     4.916266104
     N     0.500865850     0.708331278     8.605666445
     N     6.525631379     2.838407558     4.916266104
     H    -1.338702069     0.165095609    11.923305538
     H     2.075516483    -0.686102077    11.020895864
     H    -1.938568999     2.152284987    13.560399158
     H     2.075516483     1.372204154     9.832532207
     H     0.601887656    -1.207108545    11.923305538
     H     0.601887656     2.414217090     9.832532207
     H     2.608930396     1.631278519    12.657989484
     H     0.668340672     3.003482673    12.657989484
     H     2.675383412    -1.110272051    13.560399158
     H    -1.338702069     1.728115014    11.020895864
     H     2.675383412     3.783563506    10.734941881
     H     0.668340672     0.945176442    13.846353140
     C    -0.975606485     0.689857961    11.027401246
     C     0.975606485    -0.689857961    11.027401246
     C    -3.038536732     2.148569928    13.553964486
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     N     8.532688611     5.676815117     9.832532207
