97
Coordinates from ORCA-job orca
  N   -3.42742980706372      2.09496934518940      3.43888963246129
  Mo  -4.12684048538231      3.49416099304429      4.65157421736092
  N   -4.78795909853021      3.08245643104961      6.47131404763295
  C   -3.83453682446088      3.08392111107911      7.57468601384167
  C   -2.65207002805713      2.19959066713468      7.19425196222144
  N   -2.16612898091015      2.57981383292104      5.84821238807388
  C   -1.70536878966058      1.42483722115736      5.04618848698868
  C   -2.05865106889460      1.59952630307312      3.57432116559176
  C   -1.20427851693609      3.71135922161271      5.89303297213445
  C   -1.54832880756924      4.74148678040391      4.80996304681180
  N   -2.96365997530463      5.07479703193894      4.90139018934852
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  H   -0.62146015103743      1.24955750950654      5.17852269380613
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  H   -1.30839885091428      4.20018420857564      6.87248221388770
  H   -0.16564415859864      3.34283059160634      5.80523945391440
  H   -4.29657167533698      2.68787965548014      8.49733983083435
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  H   -3.00535396353529      1.16129035700240      7.14201180561259
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  C   -3.08119289133497     -4.10908195221746      1.97005229911803
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  C   -3.91693983317417     -2.18522138697685      0.74448935925292
  C   -3.29350597324036      6.31735521336644      5.59558755938087
  C   -3.49086174556160      7.52046546146542      4.66309672738184
  C   -4.76889614775718      7.41400842882350      3.83211377609500
  C   -6.04488201854379      7.57521048467555      4.61804289799615
  N   -5.97071074360735      8.05473493147917      5.85750523346196
  C   -7.12877433019558      8.18324501190756      6.55286636486045
  N   -8.35183024642836      7.88912025912335      6.15456897985726
  C   -8.46207143245646      7.41167755432672      4.87518058173624
  C   -9.74403768891018      7.08757739389615      4.36904589027704
  C   -9.87823625858003      6.60529414936216      3.08226534322764
  C   -8.74271931822722      6.42304331600196      2.26116059051190
  C   -7.47967531185160      6.72726547278151      2.73124012535247
  C   -7.31065751795024      7.23047537897117      4.04576321818998
  C   -6.20509625555132      3.06697239648897      6.82842105348934
  C   -6.81061108018560      4.47002592998727      6.98579508155359
  C   -8.32561379536539      4.47701090400768      7.17726996777585
  C   -9.14830596245442      4.09870883360783      5.97152797921451
  N   -8.53354208506912      3.79867010351749      4.83151537238601
  C   -9.30207621493146      3.43283730250388      3.77242666873920
  N   -10.61373618873534      3.31712329500227      3.72813450236361
  C   -11.27937401652238      3.64904144926486      4.87842882630310
  C   -12.69322432005815      3.58849760188400      4.89830147513639
  C   -13.38756492437575      3.93702431330018      6.04144727770767
  C   -12.69740810802761      4.35345615344596      7.20138119741263
  C   -11.31620461426995      4.41535155844459      7.21013048359909
  C   -10.57795485523011      4.06404393145199      6.05317572127258
  H   -3.52728907996183      1.26064052576523      1.50945979041995
  H   -4.95670891964744      2.18560149306077      2.01159058354478
  H   -5.59744155554982      0.43001110781600      3.61618189098362
  H   -4.13485284139822     -0.49932258013052      3.24937980694599
  H   -6.21108501826380     -1.37512612900545      2.09806444610300
  H   -6.36388082976747      0.16316822334103      1.22268318135266
  H   -3.84641019245399     -0.12646211438763     -2.43134606645904
  H   -1.54170517399393     -3.86534128665735     -1.08344120100946
  H   -1.55884996048390     -5.29042122171117      0.97246017512826
  H   -3.09021657854857     -4.74265213857240      2.85849043126386
  H   -4.58826633911499     -2.78309650195882      2.72597312156403
  H   -4.20884062792569      6.17409905134195      6.18970441017582
  H   -2.48839671330619      6.55188232420399      6.31709445918694
  H   -2.62581919354468      7.59354217079602      3.98486085051576
  H   -3.51482878073450      8.43819799748492      5.26974661044937
  H   -4.76818463209004      8.17582178575591      3.03202881345712
  H   -4.79593130462933      6.43735794364490      3.32117554716090
  H   -7.02397422435095      8.57513536919163      7.57047423435039
  H   -10.60574704217542      7.22733060929863      5.02330405776938
  H   -10.86584752446536      6.34597747810156      2.69793609044706
  H   -8.86718933934883      6.02923269049771      1.25121741275962
  H   -6.60813902315869      6.57112236625342      2.09638657628083
  H   -6.34080554728347      2.49852007006180      7.76927715435038
  H   -6.76117114526469      2.53357730713711      6.04559983166081
  H   -6.34306473416202      4.97953859929924      7.84337564881720
  H   -6.55417773122174      5.05034948822650      6.08904462372881
  H   -8.61261418768355      3.81103739575217      8.01148688392881
  H   -8.64558150377151      5.48641056069442      7.48916680100540
  H   -8.75061080653048      3.20251975559323      2.85490149357003
  H   -13.20520398660485      3.26770685744186      3.98989604842910
  H   -14.47810401951869      3.89352935892788      6.05065786660260
  H   -13.26023539261473      4.62903955243039      8.09465689404739
  H   -10.79196958939151      4.74434462864167      8.10761129362617
  N   -5.60698155329090      4.07360872618024      3.84786794250292
  H   -6.62212037110634      4.19065984008996      4.01409911815866
