110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658565-iyYJ/orca
  N   -2.86634136750817     -4.09769099333472      2.69996986422765
  C   -2.73736503235512     -4.94889656678873      1.51350757475250
  C   -2.62644367476382     -6.40277586513993      1.91791968164189
  N   -3.67654916571629     -6.73862681470742      2.89464591077240
  C   -5.00786327714776     -6.90393390876125      2.28078914633505
  C   -6.06790689001390     -6.57106719058636      3.31136150251319
  N   -5.80238715739247     -5.26799956354283      3.94615482786416
  Mo  -3.84729520891242     -4.92192447020112      4.27356548831440
  N   -2.96770983089910     -6.26337431244795      5.50791037575095
  C   -2.36059098396811     -7.41274818991461      4.83221447214193
  C   -3.28811034575984     -7.89026118920890      3.73313917991882
  H   -2.20785126454364     -8.26036834682727      5.51403391969803
  H   -1.35881349058763     -7.17219149710400      4.41894136164888
  H   -4.19917293829699     -8.29689902094466      4.19300637004479
  H   -2.82685871136684     -8.68159638025881      3.11357518440822
  H   -7.04277174589598     -6.57932903049648      2.79883075282405
  H   -6.11867509469556     -7.37767300948786      4.06856661035061
  H   -5.08178929814987     -6.20085179786274      1.44077242462549
  H   -5.13339432329648     -7.92915212811580      1.88536615510420
  H   -1.83011098747611     -4.72443894430378      0.93468293649676
  H   -3.58737269121215     -4.81427535156760      0.81158361680362
  H   -1.65760606651480     -6.55912030466152      2.41338624753509
  H   -2.67877238513956     -7.07191718668662      1.03827089697295
  C   -0.31226861472517      1.30327806498597      0.91348411031919
  C   -0.76852230309179     -0.03629416038970      1.49647542350994
  C   -1.54914797376673     -0.96296949745132      0.53915144024229
  C   -2.84376354918991     -0.27925704161173      0.05946635257615
  C   -0.69535908297687     -1.24468210231350     -0.71515476234153
  C   -1.82747821009732     -2.38097801965837      1.14050239206034
  C   -2.42953657521794     -2.64350660808250      2.55356677548272
  C   -1.35969673680665     -2.41521852999933      3.63444785322917
  C   -3.64326761068235     -1.73391878518053      2.77768719302626
  C   -6.29613712683484     -2.96725439043882      0.01011527637568
  C   -6.63061294560870     -3.80965924304280      1.24141025845869
  C   -7.82818734567516     -3.33491134431954      2.09518365536593
  C   -7.62904945557416     -1.87965441446751      2.55153679375101
  C   -9.11551530423073     -3.38187287305381      1.24828034139545
  C   -8.08353022914649     -4.30792991145478      3.28164138827329
  C   -7.06347017586762     -4.62754474003609      4.42527457275335
  C   -7.79160041759998     -5.60550987591744      5.37978904732054
  C   -6.76180853805975     -3.37513800366841      5.24258696841031
  C   -0.53736570034440     -3.47336326182276     10.42063740907035
  C   -1.30842383445709     -4.13832103738072      9.27825271703961
  C   -0.46426179395639     -4.62700738095630      8.07978090166284
  C   0.50180012122787     -5.74224525878492      8.51312227850557
  C   0.38307649563498     -3.46213440121319      7.52986079759186
  C   -1.36307672520754     -5.05406219861985      6.88379104108510
  C   -2.55514729724428     -6.05842512532168      6.94270875363813
  C   -3.78474988276131     -5.53540289026850      7.70751535469747
  C   -2.16196243342785     -7.38161292651090      7.62105771891633
  H   -1.15922627726343      1.90026230751312      0.54531054989616
  H   0.19605873629591      1.89817300680747      1.68606435385307
  H   0.39431092687855      1.17546908280452      0.08138532744084
  H   0.11399297326366     -0.58393141179289      1.86682159439226
  H   -1.39675953911852      0.16860886887298      2.37682421455066
  H   -3.45784455920163     -0.98278607926769     -0.52308558259641
  H   -3.45657923185941      0.09583139216090      0.88820370720806
  H   -2.60983503453205      0.57333196651157     -0.59415544703230
  H   0.28614780872624     -1.66225173105176     -0.44212887261173
  H   -0.52881748183258     -0.33123598560337     -1.30263396660108
  H   -1.20309622114836     -1.97133126632665     -1.36801458482880
  H   -2.48918586214871     -2.85234759825451      0.39858775356066
  H   -0.86974679936833     -2.92631795940352      1.09559911395202
  H   -1.02864687437091     -1.37075653954021      3.68007127621412
  H   -0.48351439578549     -3.04768890814556      3.42898531186823
  H   -1.74888623504640     -2.69330620822544      4.61971072432574
  H   -4.17195495382201     -2.02273949672860      3.69027057387104
  H   -3.33988534715008     -0.68226585434120      2.87225037624084
  H   -4.35065218836118     -1.81339413751344      1.94254126712008
  H   -5.42883827850596     -3.39423216704515     -0.51626691282539
  H   -7.12714307853813     -2.92404377858490     -0.70871022507831
  H   -6.03338654510638     -1.93394715350890      0.27987865624096
  H   -5.74597146683517     -3.86698760979820      1.89092315904436
  H   -6.83916994866854     -4.84447106068524      0.91655740835496
  H   -7.71403654629863     -1.19522443059678      1.69571548795378
  H   -8.39840747080625     -1.59313166142593      3.28382544738568
  H   -6.64674155360350     -1.71669108501576      3.01018846213441
  H   -9.98624222904884     -3.07618642769505      1.84856480387339
  H   -9.30524895540094     -4.39868066567714      0.86995074502797
  H   -9.05203063928858     -2.70258741482693      0.38642005927125
  H   -8.40076696097923     -5.26343602300357      2.83108109947480
  H   -8.98320865341862     -3.93651834804786      3.80195089346793
  H   -7.10328444266600     -5.92486026333484      6.17609171914906
  H   -8.16148975255116     -6.49934665430062      4.85840607877544
  H   -8.65536671833107     -5.11050719277948      5.84678157506895
  H   -7.70469118650592     -2.86661032862583      5.48952910380017
  H   -6.25162003047167     -3.63484336020421      6.17784806054092
  H   -6.12080636782636     -2.67286092665979      4.70384909351071
  H   0.23624644978529     -4.13639929652680     10.83583079288576
  H   -0.04502667444105     -2.54430047800062     10.10028067295910
  H   -1.22222301090959     -3.21483836951953     11.24144242728701
  H   -2.07057923442984     -3.43697325821340      8.89965627919210
  H   -1.86085818813230     -4.99761366872210      9.68940901810429
  H   1.03554248580591     -6.14966379546162      7.64037451453619
  H   -0.01277146022452     -6.57279693299432      9.01305874842232
  H   1.25989843424701     -5.35460592097727      9.20977816644693
  H   0.91878200283512     -3.77522275438103      6.62027403034237
  H   1.13392928012891     -3.12671391011295      8.25932174831251
  H   -0.25346980743767     -2.60340299614892      7.26639756697741
  H   -0.67846170853974     -5.44850834624778      6.11193340005334
  H   -1.78922554037801     -4.13107153727865      6.46812815658435
  H   -3.61600916409017     -5.56410160719021      8.79135423458916
  H   -4.04323752225975     -4.50811940694451      7.43615450550447
  H   -4.64292839594648     -6.18534288790100      7.48043393633093
  H   -2.96167914932407     -8.13022840333423      7.50833220078628
  H   -1.22172688538979     -7.80479969274221      7.24306495543132
  H   -2.03349921658228     -7.20368451467484      8.69623646616803
  N   -3.86161554766787     -3.49923353069003      5.35200717098492
  N   -3.78248951384115     -2.57969377106884      6.19679185383113
  H   -3.76565007520993     -1.64369779759698      5.75512919511241
