72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670660-2gjz/orca
  N   -2.92836477031021     -3.67131175802536      1.87230679824431
  C   -2.80804279936209     -4.44996907951715      0.63306590039209
  C   -2.39534108598831     -5.84885315574489      1.03498218885950
  N   -3.28661793281521     -6.28795752784865      2.14696678721073
  C   -4.34482168436769     -7.20321427311044      1.63990125869390
  C   -5.47463522774513     -7.21457917445933      2.63600160806561
  N   -5.80241298702229     -5.81619842456598      2.90810780205915
  Mo  -4.25693669863372     -4.43004496575647      3.19525468734513
  N   -2.85243554091921     -4.99981209691173      4.53230593640645
  C   -1.80790271111394     -5.91625780964113      4.06786942989368
  C   -2.48557543935405     -6.96022107836762      3.21099130712091
  H   -1.31133239953672     -6.41228545239460      4.91466245869776
  H   -1.03515714965262     -5.36784644371470      3.49979639949173
  H   -3.17001066358995     -7.54540903001837      3.83847343572690
  H   -1.76157443396614     -7.65024438608692      2.74981386993169
  H   -6.33969169681333     -7.73486950023662      2.19780335964018
  H   -5.20433914595338     -7.75558290099163      3.56160432473695
  H   -4.69952361404581     -6.78446850548684      0.69155379672065
  H   -3.92624746042819     -8.20794872463675      1.46673068879059
  H   -2.05132056298420     -4.00655070981556     -0.03366754862594
  H   -4.52452322469990     -3.54050709105954     -0.00128302393663
  H   -1.35511723529259     -5.83293032172735      1.38263558944011
  H   -2.47441451407766     -6.54387519644489      0.18769990497466
  C   -2.03503349615307     -2.62131242218788      2.06790458016819
  C   -0.78303470991107     -2.61635376553766      1.39827460107520
  C   0.12826246163058     -1.58711364610777      1.55011778052865
  C   -0.16996438767197     -0.49877391571911      2.38362004963541
  C   -1.36787870878586     -0.47794009171641      3.06989105124703
  C   -2.31884054345222     -1.52043771243939      2.95618718449691
  C   -3.52310448501576     -1.51796049697434      3.74297782976932
  O   -4.19516819804630     -2.63251925750801      3.85906466282900
  C   -4.12018642349430     -0.40721639600083      4.45698741303942
  F   -5.15460780046558     -0.85505444549449      5.24639426365304
  S   -3.82983202706386      1.19877824940395      4.41756800079419
  C   -7.09524389938588     -5.53864100740909      3.27429638106054
  C   -7.93440813182989     -6.52305638249507      3.85123048776248
  C   -9.21763405167587     -6.21622994078001      4.27620887025585
  C   -9.74938171648470     -4.92428780359313      4.12172735556143
  C   -8.98407762536007     -3.95868406041948      3.49711015970303
  C   -7.66985321076513     -4.23649936895338      3.05712911790282
  C   -6.97353889282384     -3.27198700883334      2.24963575454251
  O   -5.75943187382958     -3.33080215150424      1.93764963593666
  C   -7.72541805974592     -2.09798656780793      1.67450279268062
  F   -8.67642954242834     -2.48832596888807      0.79327703114182
  S   -7.43680545585685     -0.56719129173197      2.05439582014093
  C   -2.62094838544851     -4.31841013027797      5.70987553884880
  C   -1.30840250077124     -4.16256944382564      6.21392332566630
  C   -1.05466444625862     -3.39312733845426      7.33815371628972
  C   -2.09772308107606     -2.77527218957521      8.04707807216022
  C   -3.39827241025345     -2.96831939966525      7.62592632724196
  C   -3.69330486687222     -3.73268340495673      6.47210545076499
  C   -5.06082523895534     -4.01373865004031      6.13657078654251
  O   -5.47151932966002     -4.44261430868241      5.02511724306453
  C   -6.15673879683216     -3.93440790571916      7.16880957107757
  F   -7.22119850814185     -3.27298231746059      6.67617749052684
  S   -6.16742631077356     -4.66625853020687      8.60003265581762
  H   -0.49495126994722     -3.46293244547741      0.77888869149595
  H   1.08674950570562     -1.64063964065302      1.03182928663695
  H   0.54618939995417      0.31295963560527      2.51369083065805
  H   -1.59838560517213      0.35167728796290      3.73401868642093
  H   -7.54524086349116     -7.52513729293923      4.02413202057030
  H   -9.81526840435791     -6.99244714788203      4.75750026680123
  H   -10.75252683720004     -4.69202728195980      4.47760936518304
  H   -9.39246192218864     -2.95788782876354      3.34626352504799
  H   -0.46868371001872     -4.59120366705793      5.67048929895459
  H   -0.02168465101904     -3.25318000771321      7.65957509263683
  H   -1.88546486713523     -2.15738731521240      8.91894639510073
  H   -4.21916838596354     -2.50618232774980      8.17258012570335
  N   -4.11392768864171     -4.47942757606862     -0.03914470143153
  N   -3.93079860455522     -4.95284661274458     -1.37608265118331
  H   -4.82399214357203     -5.33097821572995     -1.69552436667428
  H   -3.67551832006536     -4.18652888549108     -2.01079182772784
