71
Coordinates from ORCA-job /scratch/magstr/orcajob__5670626-hCY3/orca
  N   -3.25928241711640     -4.01968074749445      1.61994843479961
  C   -2.84450311941073     -4.89464701528454      0.51515513296578
  C   -2.54142571580824     -6.25115798558195      1.09101529856659
  N   -3.59795951542530     -6.56666149505690      2.07335470826286
  C   -4.84191918237091     -6.96681962331377      1.35457776954256
  C   -6.06004914109646     -6.84969190884266      2.26331313281092
  N   -5.97469763223020     -5.58542528446152      3.00535690036591
  Mo  -4.07859682513626     -4.62756362299962      3.39755480210185
  N   -2.65873813883348     -5.77481569189790      4.47257491005047
  C   -2.12573240843388     -7.05346179678139      3.96711541725614
  C   -3.09909650521241     -7.66137966318789      2.94945640073900
  H   -1.96819393079483     -7.75315536028484      4.80497007992377
  H   -1.14660997025433     -6.88321091589031      3.48884128422584
  H   -3.94007278067579     -8.12233314325673      3.46592965923711
  H   -2.60987821423502     -8.43248588018261      2.33259296338049
  H   -6.97579211943422     -6.85255870031726      1.65406508789246
  H   -6.11045580464459     -7.71762961209946      2.94847773376052
  H   -4.98792493134405     -6.28193435329894      0.51102955213174
  H   -4.72014962743788     -7.99311192365722      0.97083395753083
  H   -1.95106139578159     -4.48117953728280      0.02636230714796
  H   -3.64047897871671     -4.96167709483042     -0.24509063737568
  H   -1.57265910364498     -6.21945701090379      1.60342287674785
  H   -2.50491490743645     -7.02638962582939      0.30703160799488
  C   -3.18321587121823     -2.66916434539076      1.28531600069382
  C   -3.44216442316196     -2.26870910159456     -0.04767580090469
  C   -3.41492214566913     -0.94021235834261     -0.43162670321530
  C   -3.08866875625444      0.02557816155818      0.52675799024292
  F   -3.08605587614476      1.32744079380033      0.15862891798281
  C   -2.79374932022935     -0.30418760849317      1.82945071807599
  C   -2.82143405915970     -1.65275492497452      2.24632890304890
  C   -2.45644512941550     -2.03166291352102      3.58636071376005
  O   -2.84909766605237     -3.21092413258446      4.03821197411160
  C   -1.61690046202994     -1.26491465810422      4.46493021024599
  F   -1.52119582748472     -1.86593178222463      5.69138198026627
  S   -0.73798608184217      0.10852613973193      4.21928421159482
  C   -7.15052157427231     -5.14729177237732      3.58980251937465
  C   -8.10705132659284     -6.08671845404961      4.04346545602303
  C   -9.27630452229716     -5.69357679133760      4.67725497606672
  C   -9.52028408450702     -4.32990805287941      4.85135194581207
  F   -10.65144367109627     -3.94493241942953      5.49555516793059
  C   -8.64028580271418     -3.36845880687784      4.40297026916871
  C   -7.44812235458639     -3.74926241609629      3.75386170349943
  C   -6.53431662628315     -2.78071791028550      3.19282714953021
  O   -5.30569817536924     -3.14004223900561      2.94478944894418
  C   -6.89088961507084     -1.44244109640987      2.76479649663121
  F   -5.78854507530741     -0.75885976945871      2.32832974132568
  S   -8.34472575514575     -0.69455485249588      2.65369103764255
  C   -2.06815906138821     -5.27519428520675      5.63051279567079
  C   -0.70723244706669     -5.55753170095130      5.89039407624999
  C   -0.05121050648689     -5.06277202998956      7.00585925559284
  C   -0.78038715823286     -4.28173195289854      7.90201391148653
  F   -0.14242456686856     -3.76701239649288      8.98478402449313
  C   -2.11647013551740     -3.99496492852269      7.71575990882869
  C   -2.81185740020980     -4.48250252954278      6.59052741670071
  C   -4.23905585959489     -4.20799812368566      6.43410182640249
  O   -4.81422953408022     -4.35094432002158      5.24252415466258
  C   -5.15260855358459     -3.89629444902344      7.49019880250281
  F   -6.41277862374476     -3.65135777301285      6.98646293320071
  S   -4.97274510842032     -3.83512202416725      9.12893564333846
  H   -3.73614678132501     -3.00744372927336     -0.79042985425036
  H   -3.66460849326550     -0.64053846369680     -1.44970895752364
  H   -2.56472573454361      0.48296657512039      2.54333569022420
  H   -7.90637541384169     -7.15285881993845      3.95330478735300
  H   -9.98603141945392     -6.42859056535307      5.05885594660768
  H   -8.86203257361549     -2.31786023475767      4.57260635005435
  H   -0.12691755679996     -6.13298603722972      5.17016283690841
  H   1.00946318002710     -5.25123943321108      7.17352341478181
  H   -2.63066020865301     -3.36290601856493      8.43622017345819
  N   -4.69548284081665     -6.39219236056222      4.61543606625670
  N   -5.10732979821618     -7.12798161567982      5.46459610910757
  H   -4.39200683692133     -7.70997247975896      5.95615927998064
