80
Coordinates from ORCA-job /scratch/magstr/orcajob__5661775-WXn0/orca
  N   -2.92436849190697     -3.35003418530033      2.49983764968746
  C   -2.32100847433150     -4.11859770207217      1.41062748349565
  C   -2.13098131633003     -5.56635155707784      1.83866721047566
  N   -3.33552314045142     -6.04913191988301      2.55076409071430
  C   -4.45556432295906     -6.37891108462498      1.64243052944131
  C   -5.77919868262930     -6.23440985807333      2.38152829393429
  N   -5.80477488994763     -4.97888464560468      3.13735808629357
  Mo  -4.04047563933625     -4.32059102225974      3.82840544635085
  N   -3.04586508555558     -5.36966002334793      5.19725221618053
  C   -2.34096978441225     -6.56922560184942      4.73718781824592
  C   -3.03779198783932     -7.13718766788006      3.51085580817861
  H   -2.33418248639757     -7.35533046953270      5.51309174027525
  H   -1.28074682409914     -6.35026252849296      4.50897076578519
  H   -4.00070175169897     -7.57185817304399      3.81353259026914
  H   -2.43539516575205     -7.93103807583694      3.03216352677420
  H   -6.59193317314383     -6.24770355065495      1.63225970523148
  H   -5.95476404803597     -7.11464956511693      3.03321768065618
  H   -4.42787112627836     -5.65379467609423      0.81729053490246
  H   -4.33470542120372     -7.39218872898007      1.21752746667700
  H   -1.32777772471822     -3.71564909040302      1.14996749989152
  H   -2.93546468776085     -4.05760511988150      0.48959072766006
  H   -1.29333940514870     -5.61465272991065      2.54643073506245
  H   -1.89576263888840     -6.21675294686170      0.97691785442965
  C   -5.35918647756915      0.71650882907988      1.67730640300301
  C   -3.99642243832014      0.04142901921291      1.63406485408852
  N   -3.99076038308892     -1.18024326032296      2.43601573547661
  C   -2.71142727948428     -1.90851541772467      2.40185037199174
  C   -1.79811074991018     -1.37354876585072      3.51877397400952
  C   -0.33787785706050     -1.75092485682989      3.41714065097689
  F   -0.12566006413279     -3.13512361123765      3.66751467864744
  C   -8.55652281419941     -1.00665273927366      3.46002429789325
  C   -8.58339914843411     -2.52641514626528      3.55177232002937
  N   -7.23400667364974     -3.07055483661100      3.40928961647866
  C   -7.16977991659170     -4.53091014440098      3.41612595168695
  C   -7.74950499153044     -5.21992236837631      4.68265335203976
  C   -7.12424511657486     -4.73576039385488      5.97095696837897
  F   -7.55024643187369     -5.55429616906047      7.04633534123575
  C   0.44564098343663     -5.08440477596260      8.19081478232981
  C   -0.11170685276440     -5.16817185327692      6.76817839086549
  N   -1.28404204085785     -4.30359234536287      6.56260051654711
  C   -2.63697068246397     -4.86288973291835      6.52981984311062
  C   -2.84017010010527     -5.88267216882031      7.66026336811786
  C   -4.25665059992211     -6.41438359733221      7.70791471711555
  F   -4.35474393984140     -7.39196831548952      8.72675254685818
  H   -5.35377965444355      1.63886356100539      1.08200286952317
  H   -5.63810757214819      0.96953871778655      2.70977092788361
  H   -6.13836632349029      0.05478541630358      1.27132667530342
  H   -3.23221987657155      0.72702253668086      2.03782959003117
  H   -3.70675362458860     -0.15606270898936      0.57761690686302
  H   -4.72653566929504     -1.81750081676584      2.11370613290882
  H   -2.19995172377794     -1.71425713667620      1.42991244177617
  H   -2.20677493221016     -1.68185798640047      4.49236349500027
  H   -1.83127371210504     -0.26960772882920      3.49566714622444
  H   0.06962696368266     -1.55159611613090      2.41310258674092
  H   0.26088785153307     -1.20708156379690      4.16369186403269
  H   -8.16268910944651     -0.67882899688789      2.48901066261803
  H   -7.91319932271595     -0.58316162705090      4.24551456022196
  H   -9.56440703442838     -0.59091868186817      3.58919530860963
  H   -9.20470786025567     -2.94481098534317      2.74005630336203
  H   -9.07497012204812     -2.82319984894426      4.50251929988477
  H   -6.62991191922778     -2.69197870341463      4.14448138335537
  H   -7.81243780867577     -4.85834113260353      2.57329148765635
  H   -8.83899397889720     -5.06646197101393      4.72072590897625
  H   -7.58102295160972     -6.30488950691904      4.59294944428367
  H   -6.02699487198511     -4.79116646460494      5.92666145348324
  H   -7.41564600975893     -3.70453451830175      6.22032414544268
  H   0.70661423153327     -4.04639994349578      8.44004357702009
  H   1.34670031822883     -5.70710671513097      8.29409146079638
  H   -0.29130573415301     -5.42818037280077      8.92827237803112
  H   0.66579703725229     -4.84126340454293      6.05963692208320
  H   -0.31344918772561     -6.22493870074697      6.52164399895537
  H   -1.14974270978806     -3.74356123373970      5.71961765783823
  H   -3.32154672387123     -4.02260071650039      6.71445117109559
  H   -2.14903928596412     -6.73277797641109      7.55730176002758
  H   -2.60358218953424     -5.38695720868859      8.61343764687726
  H   -4.98922936090124     -5.62811895186939      7.94490022089380
  H   -4.54761142473912     -6.89828101244475      6.76251890743545
  N   -4.52106837011594     -2.90351991802474      4.80494828179537
  N   -4.84141478921944     -1.91250628591549      5.49594576598541
  H   -4.76421370477434     -1.05740272346121      4.90636451548873
