122
Coordinates from ORCA-job /scratch/magstr/orcajob__5655503-tJQF/orca
  N   -3.20035721773452     -3.39218472375464      2.05843521287618
  C   -3.60368147536864     -4.06090540810945      0.80676273317951
  C   -3.26526301379579     -5.52575877081520      0.89266688373915
  N   -3.80279247399206     -6.04846433220478      2.16735950372431
  C   -5.24336611533264     -6.37115838145774      2.06258459988199
  C   -5.90278880144423     -6.17572900452231      3.41078948674214
  N   -5.56957020238608     -4.85266843097913      3.98078630300613
  Mo  -3.67874128692475     -4.33153262748268      3.75043429370940
  N   -2.45949373471468     -5.71909971911822      4.47904708172801
  C   -1.83664831897815     -6.56172979335066      3.45246608172554
  C   -2.97504048673526     -7.17913766366453      2.65321596219469
  H   -1.19608291728677     -7.33767410285722      3.88920401331817
  H   -1.19207942087896     -5.95451064738830      2.79608067705646
  H   -3.58461395061985     -7.81028893717103      3.31256003773617
  H   -2.62157337621202     -7.79174518202405      1.80720643378775
  H   -6.98725894686245     -6.27777754485666      3.26940766911379
  H   -5.60130913104550     -6.97419774764596      4.11235807729920
  H   -5.69211828642718     -5.67695221797376      1.33956313263413
  H   -5.38607446065743     -7.39815486721276      1.68605339573330
  H   -3.07255035379280     -3.63538773047002     -0.05456017067977
  H   -4.68074648475615     -3.90938550871155      0.61483214732853
  H   -2.17368603145201     -5.64209139653651      0.90757053308046
  H   -3.66338324498891     -6.10014119988540      0.03919362972804
  C   -3.60292831531716     -1.23769668507127      0.84754689167615
  C   -2.65693239039292     -2.01335370240253      1.78492884496941
  C   -2.48999258483807     -1.17738724480232      3.04792872668277
  C   -1.26122701786065     -2.18155580146266      1.11915462402575
  C   -0.20073513132824     -2.83709811554042      2.00282443910284
  C   1.01449896628247     -3.38734263260019      1.24792453246428
  C   0.69512488437604     -4.60925292044821      0.37946120001821
  C   1.89344023218463     -4.99037179287564     -0.51367055289894
  C   3.24441984786151     -4.67213727354412      0.16054557645100
  C   3.12985382337739     -4.79521489584217      1.68067107228224
  C   2.13841426277575     -3.75655479038320      2.24206682560627
  C   -6.32081420300127     -2.98489841872729      5.47288553121616
  C   -6.74267858681974     -4.19667863271654      4.64541081470658
  C   -7.43155936714720     -5.18550996046710      5.60516596954556
  C   -7.74602472537386     -3.73958165490689      3.55249089867694
  C   -7.22277104904602     -2.64819611411947      2.61629234647307
  C   -8.01137498107707     -2.47909891420620      1.30754289012772
  C   -9.50881525842339     -2.23096369239881      1.52232859414714
  C   -10.19171041933613     -1.79324237206676      0.21033984030323
  C   -9.54770986466673     -2.45113848648167     -1.02920497546365
  C   -8.96047066550820     -3.81770942945447     -0.67251438347848
  C   -7.80579358883041     -3.66436412289437      0.33622727528627
  C   -3.13991596330295     -5.41957721385363      6.86837865209700
  C   -2.24547741011905     -6.18076705975870      5.88410836167660
  C   -2.61380786542407     -7.67251368151740      6.01791654429027
  C   -0.75064506116087     -5.97621408965456      6.24579407496550
  C   -0.24478337904043     -4.53800233386680      6.13104283382997
  C   1.27662096811053     -4.38685559371509      6.23169739916085
  C   1.84387051543182     -4.87974894415847      7.57019295786660
  C   3.36055730461005     -4.68204139124937      7.65838102288881
  C   3.75362118348900     -3.22420112890639      7.40669348096190
  C   3.19899812809416     -2.72730897753830      6.06901513142754
  C   1.68397696956803     -2.92671857337762      5.99109447254941
  H   -4.61586525768915     -1.19724519338101      1.27376903560129
  H   -3.66583181119933     -1.67030391682026     -0.15886811107923
  H   -3.23854388809970     -0.20729051915834      0.73816434283384
  H   -2.02580315772616     -0.22186884719097      2.76728264582598
  H   -1.84274069694728     -1.65834329486062      3.78718978200066
  H   -3.45894704186460     -0.95480641638694      3.51173175463709
  H   -1.37237184395788     -2.75054299578490      0.18368311225201
  H   -0.92714924810054     -1.17541303921721      0.81752818652338
  H   -0.65803388621916     -3.66711022287431      2.57176249141543
  H   0.15351669762009     -2.11654062319002      2.75785096902428
  H   1.38660611803086     -2.59042881185513      0.57736071223118
  H   -0.19405335490841     -4.43564857092528     -0.24614317615638
  H   0.44025063039340     -5.44852713853410      1.05299308967533
  H   1.83970236116906     -6.06350932127401     -0.75562205361251
  H   1.82570088583164     -4.45311707692850     -1.47245865587995
  H   3.55909534740619     -3.64575776081570     -0.09113048741051
  H   4.02869459400410     -5.33725431509733     -0.22976057258747
  H   2.78709682411177     -5.81402780439621      1.92924361725796
  H   4.11284252858604     -4.67817624226819      2.16040636296705
  H   1.67799121875971     -4.14977067988381      3.16417440045102
  H   2.67184358084978     -2.83848991042205      2.53593616510761
  H   -5.68141622450485     -3.29418364866927      6.31104880051759
  H   -5.79987799645740     -2.23093333683973      4.87150352170132
  H   -7.22197454574191     -2.51607154212035      5.89110671807549
  H   -8.21518047921279     -4.66015605609634      6.16786657929031
  H   -6.70781619595101     -5.59202034836053      6.32672574952765
  H   -7.91150754495474     -6.02365208942397      5.08364523265966
  H   -8.65392363327026     -3.38976224858704      4.06863943905960
  H   -8.06275651993861     -4.62008722434951      2.97043007094145
  H   -7.22086266496349     -1.68210449377273      3.14628581814026
  H   -6.16898351286941     -2.86309783880588      2.36483116589034
  H   -7.60483843693256     -1.57528341554615      0.81894040823081
  H   -9.66357166871588     -1.46952430787133      2.30333620842049
  H   -9.97767677049925     -3.15579275936727      1.89792749373411
  H   -10.14041438787238     -0.69772284812682      0.11212350847134
  H   -11.26142908134990     -2.04971676105764      0.25590731716265
  H   -10.28680779159148     -2.54146044407558     -1.83862751796533
  H   -8.74011214937609     -1.81005043794631     -1.42085337760324
  H   -9.75592813201465     -4.44611041601058     -0.23810255994754
  H   -8.61041850729113     -4.34418206261533     -1.57311986722442
  H   -6.85536005544723     -3.51712487866323     -0.20445501970390
  H   -7.69612376328154     -4.60153029011355      0.90739010969157
  H   -3.07787403721046     -5.91150337319050      7.84845263362223
  H   -2.83013179917964     -4.38028150550836      7.00066798775871
  H   -4.19110072749891     -5.44262043267936      6.54535543308664
  H   -2.02277453209236     -8.33060275940168      5.36828910393168
  H   -2.43022844593931     -7.99043467320278      7.05309888976197
  H   -3.68076869939452     -7.82568801442588      5.79938291621763
  H   -0.61790847561867     -6.35406755095254      7.27199336477594
  H   -0.13727985078628     -6.62937748792798      5.60202515428375
  H   -0.71002655353059     -3.90859974290889      6.90807059202359
  H   -0.57110897901520     -4.12007795178855      5.16398760826396
  H   1.73408619880870     -4.99865497219720      5.42802319085989
  H   1.35245707007959     -4.31766389727330      8.38636128933153
  H   1.59618283634195     -5.94159902591693      7.72581780493843
  H   3.72898754420859     -5.01534331422383      8.64105224165041
  H   3.85135897922116     -5.32393523431411      6.90503254811127
  H   4.84860612221117     -3.11227102266394      7.43453485025159
  H   3.35062327187713     -2.59547131120680      8.22063610280864
  H   3.45188039462989     -1.66617932245419      5.91758918397612
  H   3.68054793716834     -3.28628153696194      5.24653827387315
  H   1.30109051188965     -2.59068081445844      5.01337929218907
  H   1.19287027853222     -2.29476939948277      6.75396021058985
  N   -3.45884304152583     -3.03844056025190      5.02423904341314
  N   -3.15897278593214     -2.19663558948077      5.85851600531325
  H   -3.90301528081815     -2.03747677824176      6.56892923654069
