111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661763-YHwZ/orca
  N   -3.10889417423423     -3.96546149234396      2.49730503396335
  C   -2.96014629909654     -4.93711093970933      1.40531741579207
  C   -2.74427666343392     -6.32405862926082      1.96832899469191
  N   -3.79279720089593     -6.61189815967339      2.96886270771743
  C   -5.06982766349247     -7.04773430777521      2.35560050412823
  C   -6.19371859415697     -6.62444100902551      3.27638255874919
  N   -6.07814592050642     -5.17582175791173      3.51957341053062
  Mo  -4.23967447843002     -4.60534532976467      4.02952343559920
  N   -3.36831652050247     -5.67735681540407      5.49761195899297
  C   -2.54589218947712     -6.80855857744014      5.04351101894060
  C   -3.32070533058750     -7.56979110207100      3.99197793736846
  H   -2.32498854295032     -7.50585043555426      5.85984010093663
  H   -1.56869662106924     -6.47159495382301      4.64687786169875
  H   -4.20041327739629     -8.02891168805253      4.46262362342419
  H   -2.71978484096519     -8.36863204583456      3.52462893602575
  H   -7.15316782575960     -6.88051053346958      2.81673395289590
  H   -6.15468464911948     -7.19403365872936      4.22221904234686
  H   -5.18280029173018     -6.53470463597443      1.39062386696226
  H   -5.05806661328905     -8.13637683279731      2.17562702665229
  H   -2.09166607497159     -4.70447430918787      0.77941425361984
  H   -3.84117751970737     -4.92304220085756      0.73523714899655
  H   -1.77311046157174     -6.35111872086823      2.48238473258155
  H   -2.74115875925806     -7.09389165998723      1.17716486377397
  C   1.02977248613694     -0.75616784251878      2.81931453847108
  N   -0.33029879769397     -0.22670437623970      2.84539242961853
  C   -1.18994213404529     -0.86885017435992      3.83424273418322
  C   -1.63346055901688     -2.30120162067218      3.50630574498309
  C   -2.53347133522899     -2.57775719512130      2.27163116756512
  C   -1.64716881113105     -2.45677223063855      1.00475294032530
  C   -2.36354258926153     -2.39875341484973     -0.35104683375400
  C   -3.49387103616045     -1.36884726821099     -0.35173362690667
  C   -4.42619915118317     -1.60064975859358      0.83612636231834
  C   -3.65038913520621     -1.52173968383823      2.14918501539922
  C   -10.08762779507968     -6.21260266578827      5.95489523160415
  N   -8.71325031096923     -6.59207384141747      5.63591222655428
  C   -7.72496387961589     -5.58168463795015      6.01819632925208
  C   -7.73357597806810     -4.30763381050804      5.17115821562365
  C   -7.36420810683157     -4.40902304868608      3.66755079312636
  C   -8.53366279428969     -5.04550492236631      2.88009731046016
  C   -8.33259581987470     -5.11980067113784      1.35672487263685
  C   -7.55486842057475     -3.90600474585083      0.82028338500848
  C   -7.79570627068980     -2.70530796639787      1.73138103502193
  C   -7.18727909910442     -2.95574543218929      3.11847694086085
  C   -2.61629141604383     -0.73252315349471      8.34869154980379
  N   -2.45361797141651     -1.78874454371443      7.34096846489322
  C   -1.91706706405170     -3.04147723554739      7.91731862665007
  C   -1.93540234933484     -4.19102917592641      6.90203950587925
  C   -3.12906123220694     -5.20942574600798      6.91852713170360
  C   -2.72247439218184     -6.39917785851405      7.82431995563702
  C   -2.69438126769644     -6.04355810985308      9.31566277875442
  C   -4.04404608744063     -5.47789016963509      9.81822548239370
  C   -5.04913330147440     -5.37884990310372      8.67113127839134
  C   -4.45735498194824     -4.61533306051789      7.48453590919657
  H   1.50729246283491     -0.79427805588496      3.82117696016656
  H   1.65141861630026     -0.13527973771202      2.16103301054746
  H   1.03056542763421     -1.77698555642200      2.40989849527455
  H   -0.29952875502204      0.77573797101577      3.03233458420880
  H   -0.68233827466121     -0.92242684585979      4.82876560740654
  H   -2.07694017622145     -0.23272147788297      3.97231780979723
  H   -0.75452273142568     -2.96330177867432      3.43045859487962
  H   -2.18961432935793     -2.64436083866127      4.38715504483844
  H   -0.86861965868296     -3.23683916449081      1.01510881770763
  H   -1.11304059344978     -1.50368261225816      1.14693547715754
  H   -1.62269977217449     -2.15191423477157     -1.12767933896812
  H   -2.78451525047900     -3.37654510770003     -0.63026388361311
  H   -4.05036738456512     -1.41647805689780     -1.30013840262054
  H   -3.07025509587668     -0.35175113127728     -0.28105380696376
  H   -5.23289591307366     -0.85170294328220      0.84116233276134
  H   -4.91360972586182     -2.58559563670727      0.74600124272176
  H   -4.32886470241287     -1.59946949626266      3.00853109567135
  H   -3.17855666376281     -0.52726461929488      2.20154025632673
  H   -10.21805820168184     -5.85895734202326      6.99927137935286
  H   -10.42444109330280     -5.40737812203237      5.28593423575140
  H   -10.75082025646043     -7.07306808158317      5.79430146149949
  H   -8.49068348824778     -7.45853427191787      6.12812917121047
  H   -7.85621183972467     -5.26406024155844      7.07709179913186
  H   -6.72958416973307     -6.04808374217974      5.95653739694398
  H   -7.01853161012300     -3.61262623607595      5.64089119678236
  H   -8.71695295900319     -3.81435312095948      5.24213004787791
  H   -8.80356045848211     -6.01796247042925      3.31108755271553
  H   -9.39508299950756     -4.39078757511762      3.08574079278912
  H   -9.32702430870887     -5.16143357755273      0.88548472200910
  H   -7.82397586800527     -6.05129260669258      1.06457147485659
  H   -7.84517966987816     -3.68584015254501     -0.21743922764201
  H   -6.47467584386844     -4.12783135994745      0.80709354642369
  H   -8.88031619469311     -2.52236892379988      1.81134455935441
  H   -7.36110227402605     -1.78921744829256      1.30571863904630
  H   -6.11439982409678     -2.73591778218042      3.07081027066079
  H   -7.61840092513085     -2.24899588387792      3.84465112230670
  H   -3.40159852006664     -1.03142645771759      9.05719514865777
  H   -2.92819771183694      0.19955868373939      7.85884307248759
  H   -1.69080758928882     -0.53894494790929      8.91957678771727
  H   -1.78682989743861     -1.46375773336311      6.63218489069025
  H   -2.52154647708317     -3.27083995737246      8.80594448300621
  H   -0.88622749544656     -2.87631897181136      8.28185039742161
  H   -1.89090761820226     -3.74757739817032      5.89919106594718
  H   -1.00422364015546     -4.76815439208970      7.00727000534517
  H   -1.72401807068250     -6.76292032212337      7.54419603055423
  H   -3.42773864397016     -7.23071974619876      7.66511731684720
  H   -2.42501195256542     -6.95233211542824      9.87316376870355
  H   -1.87796037184781     -5.32999730284870      9.50530007351903
  H   -4.44910607562099     -6.10148558994146     10.62821809902632
  H   -3.89735731960770     -4.47396036188532     10.24938184926963
  H   -5.96335030105719     -4.86420679667549      9.00378843942464
  H   -5.36568787010193     -6.38672452281839      8.35595137096108
  H   -4.31097201011093     -3.57354588890720      7.79789412932748
  H   -5.19575594292065     -4.58327515837054      6.67802231675950
  N   -4.50736209199529     -3.09544566625238      4.89148659215904
  N   -4.64130313829987     -2.04634325525481      5.64903452158446
  H   -5.05783906843610     -1.22883348158767      5.19478495000100
  H   -3.83378957404588     -1.89803829605624      6.36121777017414
