80
Coordinates from ORCA-job /scratch/magstr/orcajob__5661776-pUXJ/orca
  N   -3.04526638442392     -3.40804028756844      2.74573771781857
  C   -2.49275667615100     -4.12354713993005      1.58442149772981
  C   -2.18972466077711     -5.55844103206145      1.99156782312239
  N   -3.34328897216414     -6.12877569158034      2.74025530667655
  C   -4.44816129312117     -6.55613268351623      1.84089845266438
  C   -5.76340546607722     -6.42538653865086      2.59606076373368
  N   -5.78049022670520     -5.10589034985804      3.23781114332679
  Mo  -4.08654549445308     -4.47996453006567      4.05719967829766
  N   -2.98381166809185     -5.49125126342063      5.33514036724647
  C   -2.25690471291114     -6.67771227272220      4.87387933226368
  C   -2.94323625196671     -7.23984578571501      3.64488703106765
  H   -2.22424826632857     -7.46077781842691      5.64946024800463
  H   -1.20713924059992     -6.41926324821385      4.64752478979051
  H   -3.86616563546994     -7.75351878905490      3.94531114867829
  H   -2.30331873573246     -7.96424434562218      3.11269186127672
  H   -6.59822065369496     -6.52431166060846      1.88142163977128
  H   -5.88508866805109     -7.24233369141767      3.33014792135848
  H   -4.46301922771834     -5.87450890633574      0.97986706905521
  H   -4.26993770918654     -7.58048129778798      1.47149631741524
  H   -1.54856893445722     -3.66469326061708      1.24421014304993
  H   -3.19362061469437     -4.09399266902307      0.72645944199159
  H   -1.32620354105906     -5.55274221644128      2.67054578269217
  H   -1.94457553502112     -6.18816681856417      1.11948917008851
  C   -5.54354511012030      0.78303997597109      2.29217036826566
  C   -4.29475792567067     -0.03061080836653      2.01891616820121
  N   -4.20250600333374     -1.25526304848231      2.87944725683700
  C   -2.84960608063270     -1.99096065540173      2.73835676388182
  C   -1.91924737270591     -1.46750393603411      3.83732881889425
  C   -0.45203082153116     -1.75489730784069      3.58678041953041
  F   -0.18470457908320     -3.14257586260795      3.64479693287555
  C   -8.46158041268148     -1.07589689487346      3.66637195324228
  C   -8.01889862341090     -2.17401948963197      2.71238682780098
  N   -6.88119335338922     -2.95271448063615      3.26548588015303
  C   -7.05682478401605     -4.40731140424846      3.10250210680009
  C   -8.12457032831588     -5.01553160855963      4.04125461596317
  C   -7.71230044476310     -5.03879729595959      5.50159329533425
  F   -8.78957224036943     -5.51629277974686      6.27411346615879
  C   1.30966609897679     -4.64803626597205      6.81540569628154
  C   -0.02126718302353     -5.37051668832731      6.98195041897258
  N   -1.11330041767593     -4.47122625400615      6.60612331015558
  C   -2.49806019035144     -4.91593526530270      6.62364678485491
  C   -2.79361649100393     -5.84425754298634      7.80788673616148
  C   -4.27548792259319     -6.14319348478944      7.91778758359149
  F   -4.51870406330371     -6.90844894005229      9.07419299359753
  H   -5.51679522642475      1.69250456157393      1.67726108589951
  H   -5.59885738124726      1.09245606327271      3.34600266045058
  H   -6.45645095704808      0.23108943585449      2.03640471705943
  H   -3.38981244915395      0.56020406776214      2.21867571829709
  H   -4.25181772679165     -0.37942856644381      0.97898475651656
  H   -4.98684012312636     -1.93233911541935      2.69800793371931
  H   -2.46500005645053     -1.66377473569474      1.75587182068502
  H   -2.22115247678199     -1.89735431935281      4.80476067272116
  H   -2.00962245778792     -0.36939400600378      3.91778341529552
  H   -0.12735545241875     -1.41004474599412      2.59211609919174
  H   0.16808714602048     -1.27653479058530      4.35804130367703
  H   -7.61564183016135     -0.44043897089638      3.96238784427611
  H   -8.89697311883826     -1.50469069339611      4.58090642453824
  H   -9.21898919643934     -0.43350472355643      3.19742066730544
  H   -7.71597750329988     -1.74781809131742      1.74042229596060
  H   -8.87433633149515     -2.83966863908496      2.50527257421281
  H   -6.82940607919853     -2.74484867614323      4.26579507280179
  H   -7.41019910361967     -4.55067985439566      2.06338435569819
  H   -9.06679774522039     -4.45412287882439      3.94237735026608
  H   -8.33590882357096     -6.04658917885099      3.71625614066285
  H   -6.85974534531258     -5.70985694233878      5.67793631852681
  H   -7.45959491451383     -4.03728020097340      5.88810075600401
  H   1.47122928107694     -4.36118338067720      5.76416861448537
  H   2.14538348680940     -5.29085513638496      7.12295496663698
  H   1.32802039817023     -3.73284277942773      7.42512632285864
  H   0.00624591667045     -6.31336404244410      6.39806676207212
  H   -0.15032208907523     -5.66014013226225      8.03574909850419
  H   -0.91195243613231     -4.01772960132607      5.71267272825743
  H   -3.12036323080579     -4.01921920297782      6.76667296256788
  H   -2.23265160900346     -6.78707884597511      7.73084082304527
  H   -2.46012033692194     -5.34095410547467      8.72799195421521
  H   -4.86549807774730     -5.21536962499646      8.00354091412802
  H   -4.64507471373122     -6.72211104656604      7.05753569255306
  N   -4.63207942881087     -2.99428403279475      5.17603233763978
  N   -4.93550437968039     -2.04477481321296      5.76472111931213
  H   -4.35048881008042     -1.00069991961212      3.77275867528144
