105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658524-ybXo/orca
  N   -3.02150497353481     -3.69035706765588      2.39492000960316
  C   -2.65746848250332     -4.77769285245512      1.46338749289156
  C   -2.38242931195124     -6.06871782052959      2.21908210758187
  N   -3.50411147727928     -6.40431326483826      3.13402355227042
  C   -4.68068261757975     -6.99004883106773      2.45404645602181
  C   -5.97399159795181     -6.77449932586887      3.25645842281692
  N   -5.98360079968303     -5.49646466338449      3.96501144604355
  Mo  -4.15605966711994     -4.51682670860316      3.97497692247619
  N   -2.93315998209368     -5.08737984075122      5.44999658822276
  C   -2.31322152355195     -6.41247868593905      5.31835622479434
  C   -3.03824283197104     -7.25087809662733      4.25820500059420
  H   -2.36636138077189     -6.97465300968854      6.26567830814075
  H   -1.24133981847987     -6.31682396225954      5.06147101207425
  H   -3.93487638958516     -7.70520935976207      4.70165659298872
  H   -2.38388145241774     -8.06236049431980      3.89574964012583
  H   -6.80824855723844     -6.84124681928061      2.52853559873616
  H   -6.12512716823544     -7.62125600393607      3.95704329739062
  H   -4.77347584601727     -6.49288206310983      1.47920762716832
  H   -4.54403951481174     -8.07146289748735      2.27062971965595
  H   -1.74470510745356     -4.53391762033403      0.88809356276591
  H   -3.45940498934039     -4.95112392548609      0.71625153106103
  H   -1.50344469175035     -5.89713553210994      2.85650461140402
  H   -2.16772273271909     -6.89708266050597      1.52125820229086
  C   -3.67669878622561     -0.85980192999737     -0.13540034123413
  C   -3.30376549821777     -2.27052477627615      0.32347540836044
  C   -3.82659271662084     -2.65040420943699      1.72807238390859
  C   -5.29498174676391     -3.16024142779930      1.81090876033888
  N   -6.30054218601361     -2.24215377616024      2.33986590347774
  C   -6.55564304967818     -1.00964425381371      1.69546400237931
  C   -7.16295619376252     -0.99162964045179      0.42644045264461
  C   -7.47589406519733      0.21945920475611     -0.18409901560760
  C   -7.20911623089319      1.43386719274351      0.45170659580359
  C   -6.62491673664757      1.42200886854689      1.72611249488193
  S   -6.26618517025574      2.90613991958871      2.62002321229941
  C   -6.29769725131439      0.20632889369859      2.34073174709394
  C   -9.35085077860053     -5.89665939392877      5.98384395709341
  C   -8.16997148591433     -6.34085954727335      5.11008103745110
  C   -7.19901371608864     -5.20878524217146      4.80492458894131
  C   -7.83099166010987     -3.88688335467829      4.26316918960277
  N   -7.54427065302704     -2.88016022819079      5.32421925118829
  C   -7.76195267408278     -1.48507708551687      5.13020221533272
  C   -8.77437938946206     -1.02167949251778      4.26354556876154
  C   -9.17033849814710      0.29821668701628      4.13858030221214
  C   -8.58954849888666      1.29516852610049      4.89559923037215
  C   -7.57301919589540      0.91862662364274      5.77119175179987
  S   -6.73611740756581      2.12056799619398      6.77389408632352
  C   -7.10621318176562     -0.39756159127446      5.91630523043626
  C   -0.98811422952869     -5.69832447959280      8.29636302946362
  C   -1.22521041829576     -4.55260934515041      7.30547353843831
  C   -2.63675103884049     -4.35094119016602      6.69329462350357
  C   -3.75092846307043     -4.59436724532904      7.77385417886515
  N   -5.07262363276885     -4.70544481967541      7.11999413017162
  C   -5.82540495082226     -5.81761721033017      7.59580653593210
  C   -5.53282681932947     -7.14587106072997      7.24058402762639
  C   -6.23289093843760     -8.19886397317768      7.83052348801527
  C   -7.24130667808094     -7.95400607275194      8.76344124700009
  C   -7.55652469775648     -6.62927877157023      9.10032577731189
  S   -8.85004346696112     -6.18639713541085     10.20950511643473
  C   -6.83947172465492     -5.57475166613539      8.52395490447276
  H   -3.22945798873981     -0.64793760536973     -1.11669245099418
  H   -3.31171710099034     -0.10858832839104      0.57996084339193
  H   -4.76220511043279     -0.73409538517801     -0.22195491492872
  H   -2.20628114250665     -2.34736246825843      0.35730805903089
  H   -3.66626911859073     -3.00077568693477     -0.41767768871549
  H   -3.73239007367184     -1.73936116943047      2.34628286653637
  H   -5.67131555020936     -3.57600042056300      0.85937342623061
  H   -5.14237613104015     -4.04441709994105      2.48588626672182
  H   -5.94935172387902     -1.99787857729351      3.27544737178448
  H   -7.37718579551434     -1.94063244578243     -0.06741401049142
  H   -7.93569198044132      0.21964786038970     -1.17353034223031
  H   -7.45815485863713      2.37740722898662     -0.03444421434039
  H   -6.67777807122134      3.76571782276790      1.66197824873362
  H   -5.85508697899160      0.21512359882788      3.33847481597606
  H   -9.94877153170946     -6.76796151472429      6.28123638350231
  H   -10.00746518053682     -5.19922214446229      5.44521336653093
  H   -9.00485191248124     -5.39115309055533      6.90026890192590
  H   -8.55896126266151     -6.77201287928320      4.17200260154637
  H   -7.63975996178150     -7.14807834725168      5.63519382783247
  H   -6.71704462749447     -4.89340236044926      5.73181050158186
  H   -8.84832116543310     -3.90101148873083      3.85505582723971
  H   -7.09832866790915     -3.65106852051439      3.50110215481643
  H   -6.58508937582676     -3.22092031070647      5.47348321412267
  H   -9.27676324745917     -1.77498690341887      3.65548614204428
  H   -9.97192084809453      0.54266259171890      3.44030256758271
  H   -8.91589438362915      2.33078863611441      4.81762859322955
  H   -7.53570676733870      3.16321238323445      6.46273260898140
  H   -6.33463677717390     -0.53285041307344      6.66345272322368
  H   -1.25124664232545     -6.68183776826431      7.88761260650333
  H   -1.55209463431187     -5.55055863598914      9.22616989443461
  H   0.07867141692637     -5.72490453051602      8.56063721535159
  H   -0.98464342084179     -3.60911767427239      7.81842804741185
  H   -0.51904220731513     -4.63727132419753      6.46488861164479
  H   -2.67326729876688     -3.28755321495301      6.41298522690435
  H   -3.51579322508193     -5.52990143138889      8.30851173164910
  H   -3.73902101307101     -3.77944928231491      8.51784190480561
  H   -4.69917088922006     -4.88830258049021      6.15136788606854
  H   -4.74079467443684     -7.33836825220797      6.51821186869922
  H   -5.98835893661812     -9.22856862957930      7.56339932719577
  H   -7.77725582225027     -8.78393777950638      9.22521647943011
  H   -9.17886869799121     -7.44087334545563     10.59064931568141
  H   -7.06570118974844     -4.53791634042843      8.78128907477141
  N   -4.83490085278387     -2.99096837756153      5.04442093043715
  N   -5.27040540944260     -2.02029231886912      5.76109303973220
  H   -6.44654439865809     -1.85707486483590      5.76421155150961
  H   -4.63380002594250     -1.42658909767611      6.31628705868723
