78
Coordinates from ORCA-job /scratch/magstr/orcajob__5668071-K72Y/orca
  N   -2.80831538582298     -3.77025188159783      2.52906932179928
  C   -2.45999824917986     -4.61007523009313      1.37640134706376
  C   -2.33669851265847     -6.04859759611418      1.85400351229815
  N   -3.47583483096540     -6.37044648850229      2.75586239205669
  C   -4.70369159412873     -6.72980625369094      1.99676287677412
  C   -5.91700623311045     -6.50923786093133      2.87751390314172
  N   -5.77741214994868     -5.20845829161223      3.54629815733397
  Mo  -3.97770966469638     -4.47687356187201      3.94179150332715
  N   -2.95099589994827     -5.50049359548296      5.27035331756410
  C   -2.31707532439336     -6.76769474093337      4.88178138658053
  C   -3.11799498177748     -7.40507077648636      3.76391669997290
  H   -2.27663240792870     -7.45871388520509      5.73607088598795
  H   -1.27273439390934     -6.56910923973180      4.57695200020984
  H   -4.05112040933489     -7.80014444471477      4.18435999483450
  H   -2.56762849421119     -8.23364118901782      3.28787665873186
  H   -6.82659204196120     -6.54183946151669      2.26215388010407
  H   -6.01647437733669     -7.30200737081006      3.64136679183803
  H   -4.76381115400761     -6.05877358088630      1.12921820408544
  H   -4.64335408487275     -7.76976755561504      1.63435613201744
  H   -1.50139035218026     -4.28101424103478      0.94584304739112
  H   -3.22449505804221     -4.50502193646658      0.58579193462239
  H   -1.41425480867379     -6.14897182273212      2.44115136715082
  H   -2.29486375666340     -6.76313450135253      1.01492839114022
  C   -2.22386263727912     -2.47970414992883      2.59803105434460
  C   -0.89690262863425     -2.38591536694623      3.02190798728316
  C   -0.24971505731290     -1.14849613198220      3.13510591410591
  C   1.15854097155127     -1.01262689672445      3.60076325073277
  O   1.88308927221393     -0.09534020050205      3.22743390532926
  C   1.64462411648784     -2.04391136808007      4.61454254125741
  O   0.95452735745074     -2.83114146272329      5.21840169129655
  Cl  3.40672545560674     -1.94846739190957      4.90051918849720
  C   -0.93827344562299      0.01966047652555      2.76459847669029
  C   -2.25819563451114     -0.05530428011894      2.35301297892581
  C   -2.93248740376978     -1.29163880283396      2.27461370438436
  C   -4.35215549930584     -1.32984780651511      1.89551603858242
  O   -5.14758289394146     -2.22687243882556      1.96838432174643
  F   -4.78060875954694     -0.11311653382718      1.40180476118131
  C   -6.95190089103253     -4.64874037409555      4.10366931433571
  C   -7.05384229399964     -4.61579006819524      5.50019416580137
  C   -8.14663270922478     -4.03510537105523      6.15281349810991
  C   -8.25846474591478     -4.00607828153134      7.63105129761535
  O   -9.32420061854378     -3.88198420081648      8.22585344050974
  C   -6.94764680988203     -4.05488268702363      8.42049311231185
  O   -5.88289987544123     -3.62077823315070      8.04701877654438
  Cl  -7.13769439390194     -4.73868984828737     10.04944102913997
  C   -9.20339829943828     -3.50952768082930      5.38618145552970
  C   -9.11545842528363     -3.52369382811444      4.00663153620386
  C   -8.00140202301154     -4.07306230127497      3.33413316185242
  C   -8.02848703024005     -3.90191116838607      1.86725989346838
  O   -8.85304971576480     -3.31620961963760      1.22355234514018
  F   -6.97956398047185     -4.49830310763995      1.20466699075528
  C   -2.63062179438234     -5.01660158595304      6.55987680975427
  C   -1.84090480806356     -3.86979773397742      6.65290489451853
  C   -1.49352870644468     -3.31456241157076      7.89072977120101
  C   -0.66288285966215     -2.08823626005498      8.00065716398763
  O   0.06513375744492     -1.86046536696592      8.96527681200360
  C   -0.84173585750465     -1.05412837478322      6.89952771663341
  O   -1.79082476680269     -0.95254513785663      6.15069278969044
  Cl  0.46631346279993      0.15435907511088      6.85330798067607
  C   -1.90758546091628     -3.95784910902250      9.07188042261870
  C   -2.71664168289253     -5.07858611313764      8.99949941092431
  C   -3.11204002107610     -5.61996211103844      7.75735463293236
  C   -4.08189935576521     -6.71777784090626      7.71010738712861
  O   -4.59127900322066     -7.25726959186775      6.76200629705030
  F   -4.45182590954576     -7.13805662958382      8.97290688755167
  H   -0.37968360921091     -3.30702133798338      3.28633370934902
  H   -0.42878406942012      0.98013951216766      2.83880059233354
  H   -2.79942332767623      0.85520993234546      2.10193523256861
  H   -6.24857464397575     -5.07756275566254      6.07020121689570
  H   -10.06710464320279     -3.07789253193966      5.89170458978252
  H   -9.90441605045556     -3.08039076473063      3.39882334546155
  H   -1.47084187292528     -3.42438438499416      5.73103419158959
  H   -1.61236349968742     -3.54171478907642     10.03495198541190
  H   -3.08830139842492     -5.53822961640603      9.91355557676916
  N   -4.29426505841647     -3.09231152067906      4.98283124733783
  N   -4.47393126266188     -2.12071078504328      5.82234830986449
  H   -5.11819776397024     -2.33610236966514      6.59544858060435
  H   -3.62053202942271     -1.58564876589430      6.05425490765778
