80
Coordinates from ORCA-job /scratch/magstr/orcajob__5668078-o8e2/orca
  N   -2.91353390891793     -3.22306967120262      2.33462919897383
  C   -2.36548852388959     -4.01016225032902      1.22389976064242
  C   -1.83474793925585     -5.32458816291880      1.74442168354995
  N   -2.84310135870336     -5.94844059532324      2.63344815592364
  C   -4.00165925668004     -6.43980577205327      1.82144827824963
  C   -5.27873068316163     -6.18844868069578      2.58537071943456
  N   -5.28643159905978     -4.82216467268584      3.11205993089539
  Mo  -3.49181933874085     -4.26015528313943      4.03305441017514
  N   -2.35001949130084     -5.61683081808460      5.27932863417634
  C   -1.46435881950380     -6.53220217805320      4.56559338962907
  C   -2.25034480744254     -7.07391007080401      3.39695630304065
  H   -1.15759536014865     -7.37184039306527      5.20796768454268
  H   -0.53716749961553     -6.02919338797999      4.23283496270965
  H   -3.07895769834780     -7.68406758576089      3.77882958857793
  H   -1.62994044726228     -7.70031173605534      2.73368281741120
  H   -6.14475597541558     -6.39320130206962      1.94379299913870
  H   -5.34815408259426     -6.87227948776668      3.45366658869451
  H   -4.04433235633853     -5.87776751629956      0.88624888731786
  H   -3.85956635323932     -7.50655148139222      1.58750809469895
  H   -1.53147255663904     -3.47546600813698      0.74343308532020
  H   -3.13766978473907     -4.16551648129051      0.45039500506517
  H   -0.92107921706302     -5.15526839734982      2.33046582849151
  H   -1.58619096031575     -6.00449854792400      0.91079544378053
  C   -3.12919589408777     -1.89952211146614      2.06753656236716
  C   -2.89014666008813     -1.35595899574286      0.77618363301850
  C   -3.00824204670937     -0.01064906294168      0.46122208138402
  C   -2.75565853087556      0.37987933544347     -0.94787392852262
  O   -2.30934248720585     -0.39772992853448     -1.78817898344553
  C   -3.41490829703607      0.91878213103917      1.47818355029419
  C   -3.51438671236848      2.37722342346219      1.33350324331442
  O   -3.18011720436813      3.05351696227313      0.36787720567423
  C   -3.72504942296762      0.40804185061413      2.72690289597514
  C   -3.62132999174244     -0.96330264178207      3.06743183564261
  C   -4.06655335192133     -1.32738216291364      4.35177121719501
  O   -4.10717987916996     -2.53341916929758      4.80899898192075
  C   -6.42042010918016     -4.07493657856695      2.97291004968624
  C   -6.84070507604192     -3.22683789646280      4.03176296386813
  C   -8.05550196005974     -2.55327097622241      4.04662772146370
  C   -8.29209946238554     -1.77188317218573      5.28199176185442
  O   -9.26057942150680     -1.07708702558699      5.55125024543570
  C   -8.95905739507335     -2.67406990411211      2.94282595860275
  C   -10.28540200461919     -2.03644652106282      2.86287239828682
  O   -11.05364666757832     -2.20029708289469      1.91530458669885
  C   -8.51780805620236     -3.42621375672192      1.85681879899768
  C   -7.27830151445965     -4.08175322611470      1.80325753174356
  C   -6.88075603069765     -4.48045761263744      0.45378362886911
  O   -5.76346548270879     -4.82615565150418      0.06795879397627
  C   -2.12029989397859     -5.41550080657874      6.58906104483694
  C   -0.90701626378735     -5.81254532413036      7.23225484966681
  C   -0.63619235737299     -5.51471429862038      8.55447991529616
  C   0.66935725649320     -6.00411288978169      9.10011041478268
  O   1.65709820346091     -6.15918082048467      8.39864144312854
  C   -1.60526657545199     -4.84547381102255      9.36744642629791
  C   -1.34565499800667     -4.40977024400746     10.73719932635451
  O   -0.25069633881107     -4.41916936155154     11.29362483632696
  C   -2.83972683641426     -4.55393463738372      8.79334140174718
  C   -3.11530210727813     -4.80263237490095      7.44130945696904
  C   -4.46158751364205     -4.68385721496634      6.97492264555522
  O   -4.82473032348089     -4.81037097820305      5.78586628853493
  H   -2.61448779492352     -2.00152601345599     -0.05533440115078
  H   -3.00275939590905      1.42701418682646     -1.21079031410786
  H   -3.93680803966346      2.87251699207692      2.24585331905802
  H   -4.07335251230487      1.09660526351893      3.50293882852869
  H   -4.46911188858322     -0.55015405921310      5.01471260440864
  H   -6.21612100541018     -3.16952917195183      4.91875347301928
  H   -7.44417802317454     -1.85955672075475      6.01041405655387
  H   -10.56436230396801     -1.38580244005461      3.71461651101658
  H   -9.16340817893679     -3.45616285405630      0.97396645806155
  H   -7.70750306165000     -4.36108937957549     -0.28825490336899
  H   -0.12597859424014     -6.32385172341749      6.67093502201231
  H   0.67803981739226     -6.25957411952636     10.17940968792202
  H   -2.25125450275111     -4.02999671486070     11.27240108500571
  H   -3.62341478367229     -4.10381478501028      9.41084372817652
  H   -5.24773443370808     -4.54754154408837      7.74304077567381
  N   -1.47664755378020     -3.13556585814806      4.69185221129162
  H   -1.42012859435605     -2.99120190710519      5.70466266203623
  H   -1.47080044292560     -2.20906413915447      4.25587124393734
  H   -0.60798810471826     -3.59546343728773      4.40863779584208
  N   -4.29696533892875     -8.26235194982802      6.15301158769016
  N   -4.56068083808732     -8.04427360900083      7.20154733415394
