105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658520-PYsX/orca
  N   -2.90945846686891     -3.78081461743242      2.23079093066186
  C   -2.54199999376343     -4.90847644659529      1.35164576717079
  C   -2.30389631355355     -6.17133316815219      2.16669882008473
  N   -3.44747027452133     -6.45132858306179      3.07232317647265
  C   -4.61633138493494     -7.04256559842113      2.39128742873177
  C   -5.91829545783797     -6.78007303692176      3.15930084372951
  N   -5.93594609887343     -5.48429967271327      3.85156986915461
  Mo  -4.07918388545244     -4.53029459453710      3.82145935586531
  N   -2.88955802250876     -5.03676170983025      5.34806544607342
  C   -2.28696228825712     -6.38046910409867      5.29821101044849
  C   -3.00973510236311     -7.25258940764991      4.25098939597438
  H   -2.36302861016575     -6.90320906029755      6.26877501001110
  H   -1.20892929684421     -6.31598280197680      5.05463691345994
  H   -3.92231510144299     -7.67238958547215      4.69705475061417
  H   -2.35790682309584     -8.09002126649801      3.94333887613220
  H   -6.74294843226693     -6.86122798686431      2.42219840785380
  H   -6.07796916918561     -7.61346352772156      3.87395807830020
  H   -4.67666087692325     -6.57780077395867      1.39874235628957
  H   -4.50367741265289     -8.13616737280470      2.24757500235919
  H   -1.61667568617527     -4.70104877229666      0.77969768997272
  H   -3.33472498725683     -5.10454721091910      0.60097979931679
  H   -1.43345942382708     -5.98645995056751      2.81275663309779
  H   -2.08842901587975     -7.03130167807175      1.50670813549119
  C   -3.57645230832992     -1.06040531415011     -0.41547601773851
  C   -3.18204423629416     -2.44830478784495      0.09396620647210
  C   -3.71022355371400     -2.77129961180955      1.50925700510209
  C   -5.17797126298253     -3.28897995712499      1.59197123020513
  N   -6.22610315864056     -2.37746901305173      2.05267773310243
  C   -6.54405445066284     -1.16237358407904      1.41131523266784
  C   -7.08826042181381     -1.14103392530981      0.11454269540301
  C   -7.46295065697576      0.06956076536338     -0.46237319914500
  C   -7.32782050481306      1.27289565418567      0.23455172254244
  C   -6.81272025102434      1.25386518534269      1.53925172183228
  S   -6.63242968850868      2.71824493998409      2.51401538163617
  C   -6.41779552239742      0.04173492435529      2.11916816552628
  C   -9.38340729193393     -6.10092630399244      5.65199357497865
  C   -8.15331331968442     -6.43797297016369      4.79584281553573
  C   -7.20024577071149     -5.25929017386829      4.66280261217960
  C   -7.83035208587771     -3.88928775458920      4.28817795519260
  N   -7.75792806130016     -3.07689464640100      5.54338104534077
  C   -7.91976680490710     -1.70396111450491      5.59256483063262
  C   -8.64767653043622     -0.93574254541606      4.66841542563962
  C   -8.85086018143263      0.42345389081281      4.91151714958248
  C   -8.31498065023481      1.05257951117210      6.03487900920874
  C   -7.53565521207257      0.30035216404998      6.93366793524809
  S   -6.76406017206572      1.02271378717450      8.35470294224662
  C   -7.33204537200076     -1.06092002095237      6.71238628198720
  C   -1.11352272911045     -5.37207813681640      8.35023808385559
  C   -1.25786948370636     -4.33608685430246      7.23048694312401
  C   -2.63029716037986     -4.18394832497116      6.52899503755035
  C   -3.80439183569833     -4.25251629513389      7.57539335228214
  N   -5.08907535996914     -4.41985240288684      6.86526693877673
  C   -5.91299172987288     -5.43544747129330      7.46484593635618
  C   -5.62264104089843     -6.79752144761025      7.29619434821066
  C   -6.35963208919506     -7.75216797796413      7.99646321524458
  C   -7.39074268383370     -7.37128185192423      8.85467410232208
  C   -7.69715483130844     -6.00981660556080      9.00632226803900
  S   -9.01249924961516     -5.42167277825812     10.01624749327874
  C   -6.94745468724317     -5.04829248262509      8.31699278031259
  H   -3.13397330607409     -0.87430228470618     -1.40416510798577
  H   -3.22325977971485     -0.27866022399524      0.27300012940814
  H   -4.66530789149186     -0.95590233351810     -0.50482810055469
  H   -2.08383089966111     -2.51197174756084      0.13292710219068
  H   -3.53391596741951     -3.21150499787990     -0.61816168629337
  H   -3.62804176987617     -1.82894220142078      2.08303648132849
  H   -5.53544433531907     -3.75176225341364      0.65488111917444
  H   -5.02615883133150     -4.12985158837109      2.31410585926981
  H   -5.92700563331298     -2.08071063564543      2.98103340480273
  H   -7.20304603497643     -2.08216319290150     -0.42523278976788
  H   -7.87133311638257      0.07752918633589     -1.47408890290773
  H   -7.62866034371858      2.21361712346278     -0.22708211911646
  H   -7.06658358519602      3.58526053943785      1.57273261500916
  H   -6.03691254733477      0.02959629678428      3.14529351863387
  H   -9.98126248382388     -7.00419171375873      5.83328958376806
  H   -10.02527047614902     -5.36260527128408      5.15172726635260
  H   -9.09160160805032     -5.67764669401240      6.62668735040879
  H   -8.48859095241902     -6.77566757737209      3.80239139059598
  H   -7.62858622950404     -7.28590720249182      5.25976751944164
  H   -6.79276159692853     -5.03350184184633      5.64564590460815
  H   -8.81011116598417     -3.83326040982911      3.80111510777630
  H   -7.03787582756284     -3.52834827287302      3.63492488238818
  H   -6.84572994203625     -3.32047164014565      5.91057671026537
  H   -9.06159982964505     -1.41259534864813      3.77978510317997
  H   -9.44007163703425      1.00612587411100      4.20217794982693
  H   -8.49130614882323      2.11384246407348      6.20923010819172
  H   -7.33428789980976      2.24242008942424      8.24380699491250
  H   -6.72808892621310     -1.66502041230108      7.41458552783152
  H   -1.38875250195747     -6.38548025699496      8.02999885556785
  H   -1.72170217480690     -5.10895532399411      9.22550116068473
  H   -0.06459356267317     -5.40066980492890      8.67749373343420
  H   -1.01417044040534     -3.34687121463208      7.64805684984922
  H   -0.51453898948321     -4.53136607459839      6.44258425278605
  H   -2.62978234474867     -3.15760156372537      6.12913412068888
  H   -3.64928647713882     -5.10573862261191      8.24994692501974
  H   -3.84120287733612     -3.33150232548388      8.18800529933770
  H   -4.66024293991180     -4.78760887638521      5.96017623038761
  H   -4.80974497576092     -7.09078201422056      6.63235956451406
  H   -6.12323821312275     -8.81061177857728      7.87672253036215
  H   -7.95268475526932     -8.12601171151013      9.40581733164896
  H   -9.36011400168756     -6.61719531420330     10.54243470996262
  H   -7.16329880811480     -3.98430009882217      8.43082987525660
  N   -4.84324570336385     -2.81455245923941      4.99123759795789
  H   -4.12531573633368     -2.11537764954502      5.21715590481142
  H   -5.21488016423401     -3.24076035011232      5.94765641325717
  H   -5.59443909356154     -2.25535983304250      4.57663906973613
