110
Coordinates from ORCA-job /scratch/magstr/orcajob__5658562-NGBm/orca
  N   -3.30524966815334     -3.58571585953012      2.42315432170778
  C   -3.64630625528681     -4.34967159436467      1.21589209327672
  C   -3.01172373810675     -5.72204022200603      1.33824753338330
  N   -3.51461122366579     -6.30638308846124      2.59993599845063
  C   -4.82907576594606     -6.95728214348699      2.41192284741668
  C   -5.64616273709759     -6.76978615819289      3.67015936849718
  N   -5.65664570661825     -5.34370066311038      4.04523797778372
  Mo  -3.88486324361706     -4.47696458166882      4.10403316499429
  N   -2.61308270526543     -5.61331029847829      5.07854321020147
  C   -1.68261943886077     -6.31206816293476      4.17623847896644
  C   -2.51743476921350     -7.18517816654148      3.25168789313596
  H   -0.96082499285745     -6.92601794192432      4.72755290985711
  H   -1.09286140643668     -5.59014883588822      3.58851839490161
  H   -3.04924635947458     -7.93729076752981      3.84923309296623
  H   -1.90650166242288     -7.70890097868229      2.49768974029652
  H   -6.66491682115296     -7.13869195550677      3.48742531453664
  H   -5.23282435952637     -7.37732803269714      4.49624837125244
  H   -5.34259670811563     -6.46035972730540      1.57803228852833
  H   -4.70842001859100     -8.02265025726671      2.15379247629035
  H   -3.31515084329984     -3.86629459196726      0.29342531153113
  H   -4.73813402715147     -4.45033620096563      1.13519942609312
  H   -1.92099355387766     -5.61322800299267      1.41082691270872
  H   -3.24013736967991     -6.38099984519544      0.48267563964192
  C   1.19812829382866      0.36131438696219      0.66854893813007
  C   0.20850837075189     -0.64985250422758      1.25245179416869
  C   -1.00769685747196     -0.99355493964465      0.36462799099957
  C   -1.88820935830685      0.25134029795631      0.15175154710550
  C   -0.51694041383873     -1.45033242421221     -1.02555228047917
  C   -1.85034870532480     -2.21006768774031      0.88129552449591
  C   -2.34074057555358     -2.39110871979512      2.34204101801709
  C   -1.15467966376162     -2.69839902804372      3.27193102679903
  C   -3.09200771597235     -1.14457373845569      2.81490742231885
  C   -7.19066989493484     -2.56803153186097      0.57182161489111
  C   -7.08377689109446     -3.59726292348863      1.69654994653051
  C   -8.36675113353793     -3.86923892204407      2.50610894993547
  C   -8.94442135232390     -2.56405301281333      3.08409272329054
  C   -9.44120923275708     -4.47631810049047      1.58211199953829
  C   -8.11877584782133     -4.94697332027087      3.59947203906689
  C   -6.96501837532415     -4.89925991796003      4.65320593042584
  C   -7.36158637530172     -5.86875274508044      5.78835280322936
  C   -6.84287429944661     -3.51298153782967      5.27761097007067
  C   -1.36161277908484     -3.11303688040236     10.44651534242987
  C   -1.71715074973640     -3.59845494426478      9.04075100376544
  C   -0.77072790757532     -4.65598316794647      8.41722426121587
  C   -0.69909372015100     -5.91003559521966      9.29866268594173
  C   0.64698592035765     -4.06400305991430      8.30387594120870
  C   -1.20668544656624     -4.95557514564113      6.95285236043696
  C   -2.41360011821783     -5.85652665843130      6.55421621756604
  C   -3.72485107039757     -5.55416345152468      7.28580341383655
  C   -2.12694450521970     -7.35442405488896      6.79375422044717
  H   0.71597405459927      1.31984294332277      0.42996958689552
  H   1.99604351553343      0.56869308049597      1.39552085862575
  H   1.67787604026254     -0.01179695107019     -0.24640432276990
  H   0.75156426597721     -1.58170996292342      1.48159158627943
  H   -0.15508457985835     -0.25249041717590      2.21310937113740
  H   -2.79149132212669     -0.00444359646164     -0.42290736660954
  H   -2.20594782267512      0.71640643743956      1.09305444852541
  H   -1.34066769063178      1.01134912977772     -0.42235327455169
  H   0.21050343358864     -2.27232057214471     -0.94045428728097
  H   -0.03933527970513     -0.62603733730615     -1.57118953301123
  H   -1.36045893821087     -1.80550070081352     -1.63722593900589
  H   -2.73927828458652     -2.18501332085255      0.23364326223693
  H   -1.28667189909499     -3.12094909384588      0.61620309009327
  H   -0.50762770135726     -1.82410842262800      3.39603139628850
  H   -0.54540505874313     -3.51757293879354      2.86463497785582
  H   -1.49965090029383     -2.99219696796858      4.27163028637728
  H   -3.52765766886097     -1.31236916306342      3.80573785309454
  H   -2.40752156506033     -0.29070993023747      2.89799826495541
  H   -3.89468527889078     -0.88400065020316      2.11219797196903
  H   -6.22880275848467     -2.47671479053450      0.04543691123326
  H   -7.94739581877364     -2.84616022278230     -0.17503259145423
  H   -7.44779414223756     -1.57089178206151      0.95639186316379
  H   -6.28510160870934     -3.28317131216975      2.38662432289774
  H   -6.75700701135408     -4.56245336175911      1.27189531193801
  H   -9.35961772656730     -1.94225298405391      2.27875596079443
  H   -9.76453357756380     -2.78072219981471      3.78501873002378
  H   -8.19618249791182     -1.95940935358794      3.61091597743100
  H   -10.34302716074419     -4.73988016977227      2.15532166599490
  H   -9.07157427568795     -5.39071911073512      1.09301326681382
  H   -9.74331478243741     -3.76681015450102      0.79988578933335
  H   -8.05216541287056     -5.91750993496986      3.08273527770527
  H   -9.04788620295995     -5.00701309348344      4.19064863726724
  H   -6.55434226943958     -5.95128018494141      6.52738566979163
  H   -7.60347697147810     -6.87307890379608      5.41739953146836
  H   -8.25308231280889     -5.48138428754390      6.29961345307573
  H   -7.83623026854337     -3.17694178400261      5.59936450726087
  H   -6.19372265490155     -3.54506844178855      6.16102579390588
  H   -6.45525308159458     -2.77012597286553      4.56780603533801
  H   -1.36019842721089     -3.93692197133548     11.17419295494661
  H   -0.37597793480336     -2.62912608570458     10.48467942551907
  H   -2.10120458286943     -2.37621560386141     10.79080561638188
  H   -1.74648447355406     -2.73052817018522      8.35740680473113
  H   -2.73914419382390     -4.00227090345336      9.06462626928294
  H   -0.10692413353332     -6.70186053453987      8.81769766090573
  H   -1.69529917019520     -6.31380128286242      9.52882211897733
  H   -0.21334718343834     -5.67562452002889     10.25600561562523
  H   1.33661224436204     -4.79370459493216      7.85402637663966
  H   1.04777746455872     -3.79441100855423      9.29012049285806
  H   0.65138967367251     -3.15942170737620      7.67556161569431
  H   -0.33446596660436     -5.38449358703657      6.43070872984049
  H   -1.37044091048748     -3.97284241609609      6.48025586976273
  H   -3.63667265019164     -5.82738291345761      8.34410172555586
  H   -4.02583582992716     -4.50504842528008      7.22017469650068
  H   -4.52469047451589     -6.16950999909250      6.84919935036329
  H   -2.84344905908159     -7.97266445965105      6.23414406709755
  H   -1.10777411961447     -7.65492050648594      6.51964968134771
  H   -2.25323225266318     -7.58995873565518      7.85612263788601
  N   -3.85917598964604     -2.98638361363578      5.34614085718883
  H   -4.57036036279409     -2.25937699190931      5.44652656982073
  H   -3.07951267323443     -2.78184908527894      5.97611634618422
