109
Coordinates from ORCA-job /scratch/magstr/orcajob__5661752-99eP/orca
  N   -3.15569008594177     -3.95679115095041      2.30137981605331
  C   -3.02257001526575     -4.97685036186289      1.26117926911712
  C   -2.73973584031469     -6.31918274680140      1.90895440377982
  N   -3.73864116479104     -6.57025330765584      2.97142796613492
  C   -5.01421025697615     -7.10026252432829      2.43074159721414
  C   -6.14280046048351     -6.64564016421421      3.33481255634666
  N   -6.06372511328626     -5.18478873259893      3.49280499468850
  Mo  -4.20155296554760     -4.56952950531632      3.91058298555649
  N   -3.32088958228045     -5.48749583529667      5.48103355391086
  C   -2.42887578023313     -6.56732895944139      5.03601271771314
  C   -3.18543242409023     -7.43196369800827      4.04419984282031
  H   -2.10963401169548     -7.22076686504540      5.85956198378262
  H   -1.49634847279507     -6.18068914095145      4.57672715527836
  H   -4.02937997793600     -7.90428009085799      4.56619372799531
  H   -2.55432523772230     -8.22742912559485      3.60800416336491
  H   -7.09482290884727     -6.96965743635762      2.89729069086328
  H   -6.07215053998397     -7.16827347410555      4.30902148647113
  H   -5.16322409489499     -6.67139395050897      1.42995132829982
  H   -4.96607757912589     -8.20022512228830      2.33724973740112
  H   -2.18656496158003     -4.76574363570052      0.58342100094324
  H   -3.93122111801362     -5.04227990635721      0.62810105168431
  H   -1.75010842304864     -6.27799363997400      2.38563622034945
  H   -2.74280853644464     -7.14730645428754      1.17621173477697
  C   0.98830014878138     -0.68167123934524      2.71030154075565
  N   -0.39583240106382     -0.22283673273406      2.76195151202888
  C   -1.21315754750440     -0.95329000588963      3.73517682634199
  C   -1.60132634098552     -2.37725994264694      3.32755312671885
  C   -2.51297779754932     -2.60959083864185      2.08862138765744
  C   -1.62081700326272     -2.52185587686919      0.82334227283287
  C   -2.33915178003359     -2.45619772951837     -0.53243311857583
  C   -3.44801533134237     -1.40181193744258     -0.54454335632276
  C   -4.37514288186912     -1.59145193343426      0.65463560347415
  C   -3.58549824948105     -1.50560621504830      1.95862782848520
  C   -10.10853174539493     -6.21593793071752      5.93895001660206
  N   -8.72858135359987     -6.58516078153977      5.64100559884300
  C   -7.75826941090825     -5.54301544761337      5.99345681040973
  C   -7.77569849069901     -4.30037152219779      5.10268355064352
  C   -7.36743754239560     -4.44951046245077      3.61331957193830
  C   -8.51226679486158     -5.12936551915779      2.82487204059059
  C   -8.27076577692053     -5.24688253347469      1.31117944068080
  C   -7.56274758021679     -4.00398822479937      0.73888683862801
  C   -7.83101315306011     -2.79883018059901      1.63670013472946
  C   -7.19980834598237     -3.01286215250061      3.01812044689849
  C   -2.07744239604699     -1.25585250989525      9.54043235843772
  N   -2.57582320502099     -2.11234487652463      8.47425527813683
  C   -1.61666246842486     -3.14699003193246      8.09415814028245
  C   -2.04460226180390     -3.93004984525394      6.85001847804093
  C   -3.15789825534256     -5.01126524471576      6.90400475960503
  C   -2.75569127724477     -6.19129186276577      7.82724833947660
  C   -2.91646281667736     -5.99669265396260      9.35008016141858
  C   -4.14349426118771     -5.15122722671177      9.73584432590479
  C   -5.14795239241222     -5.13971747086663      8.58710708286382
  C   -4.53239361234852     -4.44272837731112      7.37258911492615
  H   1.47659455942034     -0.73181882658504      3.70736902540870
  H   1.57513424665308     -0.00973701932262      2.06891280005685
  H   1.03612966070999     -1.68780065517835      2.26788965347624
  H   -0.40784952011029      0.76808751624322      3.00599006028242
  H   -0.69456452044640     -1.03320204851955      4.71815705403592
  H   -2.12709966547528     -0.36818851972633      3.91324098382761
  H   -0.70019586535380     -3.00132487534521      3.19808458610569
  H   -2.12197112414171     -2.80178201847141      4.19621233402387
  H   -0.87203036298445     -3.33149041083137      0.83722805601486
  H   -1.05605403336139     -1.58540886098624      0.95726478337595
  H   -1.59570162496629     -2.23759158622471     -1.31634984684388
  H   -2.78572384230624     -3.42737394295416     -0.79648306334264
  H   -4.00952917833142     -1.45468658928143     -1.49083777273456
  H   -3.00138572592209     -0.39286167054909     -0.49394471830418
  H   -5.16859553885969     -0.82761771672709      0.65174566695616
  H   -4.88094266378601     -2.56993558201023      0.59313068940708
  H   -4.26200891723336     -1.53378384500365      2.81958382427510
  H   -3.07434116652570     -0.52870415201536      1.98329542737276
  H   -10.25271136043197     -5.82822961641493      6.97066444383804
  H   -10.45021966227345     -5.43652305894413      5.24221432158429
  H   -10.76061426060195     -7.08987951452281      5.80261520569115
  H   -8.49386640075774     -7.42725472970765      6.16873897035047
  H   -7.90610861110294     -5.19541812912475      7.04064703554559
  H   -6.75530135568471     -5.99335063517323      5.95525813866958
  H   -7.08035299080208     -3.57940165193955      5.56129291690907
  H   -8.76815782550121     -3.81944133333205      5.14243938321030
  H   -8.77051096139342     -6.09717632404806      3.27373178610344
  H   -9.39459565947248     -4.48989285247073      2.98948113252387
  H   -9.24855980067150     -5.37907508774312      0.82004758713883
  H   -7.69000821381578     -6.15150042590415      1.07351898641612
  H   -7.88774406907336     -3.81337220855681     -0.29541820703192
  H   -6.47408729134397     -4.17401274422091      0.70349062641698
  H   -8.92042958831262     -2.64144457440028      1.72123646601114
  H   -7.42120054604230     -1.87877048619458      1.19267909231974
  H   -6.12248759274493     -2.82051905017016      2.93836349416970
  H   -7.59749778481776     -2.27224041859219      3.72871816772667
  H   -1.98975452560550     -1.84019041422098     10.47036939044435
  H   -2.78666857810984     -0.43684304613228      9.72324155874791
  H   -1.07769299874753     -0.81504487281744      9.33182466468681
  H   -2.79833865483103     -1.55012327392927      7.64838043628867
  H   -1.46919694339721     -3.80916479370254      8.96128057843435
  H   -0.61483570997719     -2.70614066733767      7.88041530790444
  H   -2.35612759136117     -3.19656763962872      6.09142876131465
  H   -1.14524126245786     -4.42296273402966      6.44344384655496
  H   -1.71395647664350     -6.48564722022053      7.62990254157427
  H   -3.38290453792235     -7.04762656837063      7.52922684953404
  H   -3.00497093442428     -7.00203439364852      9.79275532559705
  H   -2.00326581702422     -5.56450274339595      9.78351064455448
  H   -4.59542394725250     -5.53176478667407     10.66455010576903
  H   -3.83967971436587     -4.10940048921858      9.92720552117785
  H   -6.06570672916425     -4.60360807610818      8.87509770684165
  H   -5.45738001421979     -6.17103573224100      8.34023930114051
  H   -4.41807557469585     -3.37973806904047      7.61977001296635
  H   -5.22846161076058     -4.50006402965362      6.52728267632122
  N   -4.56520230458550     -2.86174455628231      4.76821087300947
  N   -4.74755894042885     -1.85722311333188      5.30085470914968
