72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670659-oRoD/orca
  N   -3.05739792421904     -3.56667784428135      1.90008310769359
  C   -3.00037707544079     -4.29148402673182      0.63073556214219
  C   -2.55189358382993     -5.70643548258826      0.96105380838578
  N   -3.36189131010111     -6.20314454936090      2.10688573101166
  C   -4.41784247833209     -7.14319183153395      1.65703864673855
  C   -5.50927461690451     -7.15209302801627      2.69970296474012
  N   -5.89456678573433     -5.76094718776610      2.88265547734396
  Mo  -4.37237671609445     -4.34111056358626      3.25315688917189
  N   -2.86379261623335     -4.92238458047797      4.47820655610129
  C   -1.80730277807734     -5.77389929582355      3.94682176022490
  C   -2.48293182355905     -6.84496840439360      3.12006428130789
  H   -1.23400286339335     -6.24697748557864      4.75905158636516
  H   -1.09367602964998     -5.19081672175734      3.33553302291874
  H   -3.10967175333575     -7.45862744993797      3.78037044069669
  H   -1.75537695766801     -7.50438537382247      2.61886292984687
  H   -6.36309743406204     -7.74298262702060      2.33272697743607
  H   -5.16860456752219     -7.62573484348530      3.64064934821173
  H   -4.82671499250101     -6.74343843132822      0.72119174496747
  H   -3.99050307219324     -8.14488329951012      1.48145329418986
  H   -2.27647373611689     -3.81724550046135     -0.05784964426220
  H   -4.80903836112642     -3.42510125488603      0.16121497586123
  H   -1.49095751424681     -5.69241992861071      1.24050349208407
  H   -2.66695120110887     -6.38489210289598      0.10208673356585
  C   -2.07027601563410     -2.62210543155454      2.15904370429076
  C   -0.83480923006965     -2.66009379408233      1.46032851757126
  C   0.18799503383495     -1.76179361468615      1.71209158041470
  C   0.02350470567666     -0.76933919464058      2.68759554766875
  C   -1.16551696381610     -0.70099970532275      3.38941684416117
  C   -2.23426789690698     -1.59982070260169      3.16207864686923
  C   -3.44622797993929     -1.52308329299079      3.94381632350264
  O   -4.24701727157214     -2.55849535334459      3.99074879566979
  C   -3.91241284576733     -0.39770873495389      4.71852867838054
  F   -5.04731404743592     -0.73310804757187      5.41739308995664
  S   -3.38024371487000      1.15099780484813      4.85460795854075
  C   -7.19128177162268     -5.51472144074243      3.26721384777685
  C   -7.94651252840757     -6.48158440310500      3.97307476469224
  C   -9.24035388278300     -6.22077340882419      4.39208373545940
  C   -9.84829592272422     -4.98760608765513      4.10936881754865
  C   -9.15955617634806     -4.04236951055880      3.36839674822280
  C   -7.84127337357280     -4.27766356094693      2.92096191896584
  C   -7.11561274640975     -3.33967878309914      2.08532257934958
  O   -5.84638254745005     -3.29743144824692      2.10223912147439
  C   -7.74470612684728     -2.45582359044638      1.08847226250843
  F   -9.10393708389739     -2.54961748795942      1.04155797443099
  S   -6.96373006862663     -1.47773275410612      0.04212510491102
  C   -2.60155346679221     -4.23174232825121      5.65468383709419
  C   -1.27525750451508     -3.95082249210211      6.04806646044341
  C   -1.00590777570789     -3.13910180938136      7.14260930372222
  C   -2.05288691892234     -2.58808995879585      7.89079627934750
  C   -3.36316084535232     -2.90553824869598      7.56495087627901
  C   -3.67081810474916     -3.74718871328236      6.47785620838999
  C   -5.04135773101301     -4.17102022393229      6.21707340929997
  O   -5.44073134866873     -4.53200696124129      5.04714309083065
  C   -6.03278847601797     -4.32418952874759      7.27597433496475
  F   -7.28544439849492     -4.47537308424968      6.75048891723003
  S   -5.84065748895704     -4.44343986409997      8.89971747993018
  H   -0.64983350438534     -3.44335075372262      0.72830761601343
  H   1.12544629658263     -1.84939607073602      1.16020566871439
  H   0.82795031865574     -0.06711969351048      2.90919301258788
  H   -1.29940821613910      0.06162636491312      4.15284780473487
  H   -7.47604028432604     -7.42390893599795      4.25107592026569
  H   -9.77691074181925     -6.97272729067577      4.97348059801440
  H   -10.85293084663430     -4.77090958149268      4.47278051999975
  H   -9.63188189308926     -3.08816158418287      3.14756118906544
  H   -0.44699092640396     -4.31255067722040      5.44055079397295
  H   0.03047475766363     -2.90410456055963      7.39108441889499
  H   -1.84526767075007     -1.91251907958257      8.72072148380120
  H   -4.18155026351305     -2.48558811518257      8.14490124486064
  N   -4.32551567135665     -4.31157409989564     -0.01172479927010
  N   -4.27439492251752     -4.53455660835504     -1.41461851510407
  H   -3.47059424811913     -4.05194539130599     -1.84399217954518
  H   -4.15315147801692     -5.53539335326609     -1.58292322364863
