109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661754-tP2O/orca
  N   -3.30823015922672     -3.74432325685983      2.28597116051293
  C   -3.16153651240943     -4.79991365077773      1.28186402791083
  C   -2.71090144441614     -6.10270976471553      1.91630092793099
  N   -3.63584309706743     -6.45061926387215      3.01122775729840
  C   -4.89666559061655     -7.05643707762399      2.52710301056953
  C   -5.99866994249791     -6.66838558099539      3.49424707541711
  N   -6.01494032499101     -5.20484946501887      3.60355494665748
  Mo  -4.23397366432295     -4.35795402186058      4.00323155432559
  N   -3.43932733583676     -5.50955254896468      5.57532078261297
  C   -2.37329115945988     -6.37735912738630      5.08740187491315
  C   -2.97675571162538     -7.28648817304021      4.03514013209845
  H   -1.95438068107648     -7.01570621712015      5.87965394387623
  H   -1.51315037650501     -5.81721347002290      4.65728862218219
  H   -3.74157919327745     -7.90924220718134      4.51916689715276
  H   -2.23205232398090     -7.95332286149078      3.56403449110184
  H   -6.95762207451321     -7.07741691400743      3.15068428056209
  H   -5.79678128131726     -7.14332524163721      4.47453580175921
  H   -5.12204953596952     -6.63607706514758      1.53779621049162
  H   -4.78839795550946     -8.15242454243411      2.42542486860854
  H   -2.43974910195156     -4.54087645189664      0.49763199698607
  H   -4.12354169819950     -4.96459933035555      0.75670497039811
  H   -1.71388535043522     -5.96077713448727      2.35777255388346
  H   -2.65206081314841     -6.92570368776555      1.17708211484818
  C   1.48475543993484     -1.70337758032198      1.73953975152615
  N   0.41997833499855     -0.93808822434042      2.37902596949673
  C   -0.24220367546775     -1.66440390951007      3.46578922460346
  C   -1.14239523969394     -2.82465432428305      3.02864398060710
  C   -2.40372219482714     -2.54675224839476      2.16128944761818
  C   -1.98152728957151     -2.26026018982634      0.69849936028971
  C   -3.15284361285891     -1.92043195075924     -0.22581932360465
  C   -3.93491929385871     -0.71465390963932      0.30248975501647
  C   -4.33583163730124     -0.93147491017867      1.76199901818888
  C   -3.12764713756510     -1.26788173118470      2.63213694577094
  C   -10.12497768241729     -6.59723988854472      5.72886368933933
  N   -8.70806802648686     -6.86851508961415      5.50994693958292
  C   -7.83060356876560     -5.79535940796011      5.98854404540831
  C   -7.86212748687566     -4.51316114968480      5.15782041235956
  C   -7.35475555782368     -4.54939945804543      3.69194089917613
  C   -8.39485419093288     -5.22369502870191      2.76705154009129
  C   -7.96197948126714     -5.26606382034567      1.29162735344152
  C   -7.17384740460104     -4.00643409627497      0.88502335202674
  C   -7.61257571441690     -2.82560083732055      1.74721331826480
  C   -7.25656611354648     -3.06408055700770      3.22378715740197
  C   -3.11053961848042     -0.52332744095284      8.33809900187329
  N   -2.93107997089642     -1.63454292668482      7.40895807557967
  C   -2.25030284577817     -2.78221193176579      8.02184185290063
  C   -2.13487840252507     -3.95691980503056      7.04538458538178
  C   -3.28441427256788     -5.03044272858759      6.97837570887178
  C   -2.88035013883921     -6.20598220717757      7.91080594588587
  C   -2.95675074902292     -5.86536487700112      9.40406983801474
  C   -4.35343909253689     -5.34841095259994      9.82704598337489
  C   -5.29195628396260     -5.29392064076263      8.62214184874167
  C   -4.66924101804794     -4.49941938012873      7.47220512186693
  H   2.21359080704781     -2.13638346301336      2.45854947520664
  H   2.03009148395280     -1.05887688533122      1.03650829568719
  H   1.05535760965594     -2.53551582543877      1.16280580527578
  H   0.81339874365849     -0.07575773204861      2.75814831955466
  H   0.50193271768415     -2.08775596998041      4.17963342761978
  H   -0.84225986366988     -0.93692531068992      4.03335532331341
  H   -0.54054717047177     -3.59759041553454      2.51942063688055
  H   -1.50206471623912     -3.29496086264570      3.95789452051045
  H   -1.37817218388470     -3.08507526290688      0.28785838459362
  H   -1.29374322543045     -1.40187806474308      0.75439229144430
  H   -2.77587316603708     -1.71788251591285     -1.24156704232444
  H   -3.83259754290274     -2.78444140664851     -0.30817019342861
  H   -4.82499308005971     -0.53152895724917     -0.32111729847085
  H   -3.30136551616237      0.18746293370979      0.22713399276937
  H   -4.84978613407164     -0.04129522935361      2.15916328635010
  H   -5.04966084002202     -1.76627762543932      1.81837580583776
  H   -3.43226808198189     -1.38225441420235      3.68105744712041
  H   -2.40399060691401     -0.43857629999918      2.57913176074858
  H   -10.35993506127510     -6.27391490643845      6.76618012348545
  H   -10.46738983567522     -5.80245644230553      5.04981795757466
  H   -10.71145359472541     -7.49888773514088      5.50413072478246
  H   -8.45785559533271     -7.72736578603263      6.00216417205837
  H   -8.07968957012724     -5.51033394457642      7.03600605779593
  H   -6.80259268947914     -6.18354087055066      6.01044227312352
  H   -7.23640590204604     -3.77852706826202      5.69230229635941
  H   -8.88225004969937     -4.09230476205830      5.15562109951730
  H   -8.66750056177853     -6.21954941825928      3.13983479714591
  H   -9.31010501022345     -4.61593372428691      2.85880349935755
  H   -8.86441532942577     -5.36083463784988      0.66586430874724
  H   -7.35894743655996     -6.16549464103377      1.09397723152849
  H   -7.31210505263779     -3.79131438629645     -0.18578681787217
  H   -6.09729304802391     -4.17009854885373      1.04739382096547
  H   -8.70141451524701     -2.68344102447507      1.63555029281759
  H   -7.14591739808130     -1.89059399995095      1.40263309126355
  H   -6.23856890823194     -2.70791981893982      3.43748037016255
  H   -7.92178964723547     -2.45728579372955      3.85782223326197
  H   -3.81836339188209     -0.82114415762404      9.12668067889071
  H   -3.53737080923217      0.33908539568287      7.80790278423127
  H   -2.17121261951937     -0.20147043252665      8.83413909008535
  H   -2.37012998514485     -1.32330158287105      6.61076294061265
  H   -2.82513606323145     -3.05923044023036      8.92015363442249
  H   -1.23925770582938     -2.49729154635153      8.38499863701681
  H   -2.03248658885038     -3.53116600670687      6.03588999925274
  H   -1.19191620333903     -4.48902089624869      7.24970077552596
  H   -1.85117743217998     -6.52498011657417      7.69370387398645
  H   -3.53331884965650     -7.06639129845866      7.69013218397197
  H   -2.68955424593203     -6.76579214563414      9.97819068279907
  H   -2.18189771941581     -5.12049394945593      9.64405995371589
  H   -4.77973901800946     -5.98185339673699     10.62000126637573
  H   -4.26871807746558     -4.33533989807617     10.25463674173007
  H   -6.25211005298437     -4.83208916020386      8.90160702844741
  H   -5.53271268816923     -6.31679828043730      8.28778104188250
  H   -4.58900839834079     -3.44701369401013      7.78059033606372
  H   -5.35251800638484     -4.50117208071277      6.61770317145608
  N   -4.29274964298883     -2.91108358346675      5.00626991596193
  H   -4.19282227543268     -2.29608265559555      5.82859069161129
