77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670611-9vQm/orca
  N   -3.66160428162079     -3.39337665086452      2.58693501191521
  C   -3.04749371255748     -3.92501721226950      1.36239140713712
  C   -2.72785746571979     -5.39894558929228      1.55860903988194
  N   -3.84894658339557     -6.07039575788394      2.26240281423167
  C   -5.00450744638289     -6.32083926152949      1.37004872330786
  C   -6.28965353092194     -6.47963120185100      2.16799772769508
  N   -6.41742633318061     -5.44215037244899      3.20042830641803
  Mo  -4.65146147645171     -4.62376431321967      3.79080249839120
  N   -3.55119681059995     -5.80776343358789      4.94238650069345
  C   -2.72284465519814     -6.83915255853163      4.30363476804541
  C   -3.40232300896779     -7.27257549075021      3.01164820801849
  H   -2.61905410570701     -7.71336087021887      4.96783660579725
  H   -1.69880866512622     -6.47120121143742      4.10213173975017
  H   -4.29856545187882     -7.85781593622791      3.25751484697447
  H   -2.73834079175917     -7.89876603209562      2.39054806639777
  H   -7.12506408312422     -6.41723023643692      1.44907933413981
  H   -6.34534464963582     -7.48748400158375      2.62259394773380
  H   -5.09406111749000     -5.44564003710604      0.71171110574899
  H   -4.83006768621033     -7.20887035289161      0.73650696251735
  H   -2.11562290635134     -3.38512669251436      1.12418683658871
  H   -3.72310303955373     -3.77197640334085      0.49972999815841
  H   -1.84124828835108     -5.49058219843071      2.20091723338229
  H   -2.51183067607732     -5.90267356927739      0.60015623656119
  C   -3.50631333072920     -1.99933832798982      2.78402815984981
  C   -2.24431442464316     -1.44831401658384      3.08588423009606
  C   -2.09200201164346     -0.08657149813209      3.33510332546720
  C   -3.20977156583010      0.73325786611677      3.26110284203520
  F   -3.06045563576998      2.05535413320547      3.52477817021067
  C   -4.47865118277549      0.23376977893007      2.93717524662611
  C   -5.66912275806954      1.08902451745568      2.81854140734836
  O   -6.79870992216787      0.67995268452614      2.57622915562051
  C   -5.57382822243397      2.62059429369103      2.90645693889024
  O   -5.35883117795703      3.31106045004129      1.94050544418170
  C   -5.91480167039784      3.17673433659218      4.31071006411811
  O   -5.95472176825878      2.48390510799074      5.28404875641710
  Cl  -6.16502464011250      4.93239437559851      4.33251727200339
  C   -4.60721956726788     -1.14717658007899      2.70666499098300
  C   -7.69002284032330     -5.35642713917313      3.79283784115121
  C   -8.74884311759501     -6.23765781624032      3.46506968891650
  C   -10.01496747570518     -6.11180203219787      4.04306496022231
  C   -10.26177293790004     -5.10790398588692      4.96350388209348
  F   -11.48858433408104     -5.00882679514786      5.51632236010641
  C   -9.23272750390077     -4.22959869217661      5.34717517110448
  C   -9.40981198069423     -3.14193467654493      6.31963420526921
  O   -10.46225527036751     -2.62767983349034      6.67690606578964
  C   -8.20419597995260     -2.61992576787908      7.12703734261918
  O   -7.78924384198828     -3.23624034105054      8.08276510586647
  C   -7.74128673361584     -1.15873268337792      6.88789768955185
  O   -7.15967358085943     -0.48482099766553      7.67776396382045
  Cl  -8.17363340235347     -0.58105310693962      5.23988197185761
  C   -7.97242392688755     -4.37558846996856      4.75892312323757
  C   -3.32747917538822     -5.56888549760636      6.31604136104790
  C   -2.04853537827247     -5.31128280068916      6.84704012368711
  C   -1.88865635077908     -4.94515718713951      8.18415048221353
  C   -3.01469821481270     -4.83065434499916      8.98690698959805
  F   -2.86763847134491     -4.44262034396843     10.28009517279918
  C   -4.29510963605585     -5.13182280425120      8.51066659760981
  C   -5.51560725920540     -5.04738979187947      9.33941504008174
  O   -6.49886859366209     -5.74748692719420      9.16012953938236
  C   -5.62825256539743     -3.99930237845680     10.47407096937490
  O   -5.88611675051961     -4.30764630783917     11.61082009610132
  C   -5.42915446284050     -2.51878585600844     10.04356424015873
  O   -4.72073662677516     -2.17647298844219      9.14352033267340
  Cl  -6.30355370929503     -1.38277415581112     11.08897789795866
  C   -4.42889818092123     -5.52620783631179      7.17468729965708
  H   -1.37745162974878     -2.10807163468165      3.15664962428750
  H   -1.12550493069184      0.34301750597741      3.59882338158359
  H   -5.59468948913510     -1.54662913141901      2.47071025762640
  H   -8.60186800666905     -7.04855419974747      2.75458691728146
  H   -10.81568733527894     -6.80357160301125      3.77958014072553
  H   -7.19883116250340     -3.67310075262058      5.05292666784345
  H   -1.17229476712515     -5.35824202650325      6.19847732235518
  H   -0.90565293210859     -4.72565978341043      8.60131943007234
  H   -5.42503818498263     -5.75226369887621      6.79284413651942
  N   -5.08515789525005     -3.39913702897083      5.03339368552518
  N   -5.41588093718870     -2.59347765232036      5.90913145012005
  H   -4.70248878350327     -1.89120917365129      6.16389554877477
