90
Coordinates from ORCA-job /scratch/magstr/orcajob__5668039-TQeN/orca
  N   -2.99425139254828     -4.16432321484488      2.38454933993481
  C   -2.73957457601311     -5.14491403897219      1.33375244938218
  C   -2.25042809833182     -6.44708502759861      1.94228439955180
  N   -3.10424981704991     -6.81188523182345      3.10162338274091
  C   -4.40743427494105     -7.39379050985721      2.68265984908408
  C   -5.48961720041211     -6.95508228619543      3.65717700318574
  N   -5.35447110724037     -5.52428447795769      3.87404116683189
  Mo  -3.48324686056697     -4.85137383888259      4.20095906411895
  N   -1.75407888898659     -5.49487020861351      4.98172573952396
  C   -1.29628595728373     -6.86201665970418      4.75542915938282
  C   -2.39145838281487     -7.67205446016503      4.07504531435224
  H   -1.03977112597272     -7.35965675752034      5.70715593742303
  H   -0.36408767316081     -6.85748137439340      4.16007866533800
  H   -3.13070254927128     -7.98487679572831      4.82442359373983
  H   -1.98514225966093     -8.57107187764920      3.57768650866284
  H   -6.47823683441750     -7.21437190401274      3.25185328611825
  H   -5.39241793558785     -7.50163585361285      4.61889372452521
  H   -4.64233335586679     -6.99759943282210      1.68586622089303
  H   -4.33010279368387     -8.49161676943588      2.61137510803372
  H   -1.96565978320159     -4.79590205747620      0.63084939362260
  H   -3.65706638904060     -5.31435449428619      0.73437487169484
  H   -1.22793558590811     -6.30328578463282      2.31340853528708
  H   -2.24059801437932     -7.26364044100269      1.19981514223834
  C   -2.88385458729178     -2.75741333381016      1.98569082602469
  C   -3.58748784533520     -2.47486255098787      0.62024465631657
  C   -3.61949789874989     -1.01632056302886      0.30988326543535
  S   -2.64564241119817     -0.26434802250897     -0.78792338193993
  C   -4.60054020591683     -0.18672653840567      1.05088651538674
  O   -5.41122543765985     -0.64509898091830      1.84943176752758
  C   -1.43590333045479     -2.29247016908916      2.03795184955441
  C   -0.50162636425441     -2.54458721013837      1.02416715324722
  C   0.82968755647000     -2.15392431438282      1.17628476963211
  C   1.25630690427726     -1.49312213261033      2.33111682620663
  C   0.31193778418349     -1.23234464856060      3.31528382151497
  F   0.69935248441924     -0.58026373353383      4.44613716061600
  C   -1.01584315461280     -1.61746968224696      3.19152107552034
  C   -6.55111291805736     -4.68162010276052      4.05593917730820
  C   -6.68219043718990     -3.70016153123105      2.84413972750181
  C   -7.81804644577144     -2.73715977213482      2.96195177975851
  S   -9.12428247483616     -2.70281672653960      1.94116818941373
  C   -7.77247458661164     -1.72166992199441      4.02268930806080
  O   -6.83749204352852     -1.55487161207862      4.81903118872375
  C   -7.80802639488483     -5.47914035942591      4.34403925183482
  C   -8.10490040551929     -5.80091873677196      5.67616476347430
  C   -9.23840384546843     -6.55316621911606      5.99024615244538
  C   -10.09510629057401     -6.99935180149648      4.98166087364892
  C   -9.78243657883806     -6.66913260336894      3.66726777425530
  F   -10.60736046592555     -7.09277925269601      2.67129847683967
  C   -8.66225740070013     -5.92106698257011      3.32536891790932
  C   -1.16854017596161     -4.85252227504708      6.15345520210276
  C   -1.74334410815930     -5.43360964079726      7.48250967780385
  C   -3.21308222127002     -5.25501877636673      7.66776107317070
  S   -4.35257408431791     -5.87058561776180      6.59018912611800
  C   -3.65127606571611     -4.50013983492332      8.84208767723709
  O   -4.81349616634522     -4.24853292020021      9.16099391646566
  C   0.35585737124569     -4.89986563408545      6.07605776975401
  C   0.96971189176159     -4.31651464953451      4.95569066837442
  C   2.35571099222308     -4.31748873128123      4.81913421725980
  C   3.16556622628224     -4.90842354468623      5.79435616892741
  C   2.53942895859607     -5.48754895208747      6.88984163014008
  F   3.30437251910313     -6.06935327439422      7.85153852547119
  C   1.15685487123346     -5.49811790715747      7.05337686666423
  H   -3.43263725639203     -2.17676921531260      2.73823517288242
  H   -4.62420156150834     -2.84601227021862      0.72197545014594
  H   -3.08968076217572     -3.01304636737506     -0.19817221364130
  H   -4.55707347303997      0.89859459388524      0.80730374853644
  H   -0.81092378691713     -3.01510779004153      0.09127908772827
  H   1.54520653524198     -2.35154880003305      0.37766623983339
  H   2.28851018416683     -1.17302486387320      2.46722306188885
  H   -1.72590823273549     -1.38929508435942      3.98774044206943
  H   -6.37184401200408     -4.05856140596306      4.94388951027575
  H   -5.74321489391171     -3.12692267618067      2.81398068233454
  H   -6.76073330972107     -4.26770061154740      1.90836859588078
  H   -8.66505910019955     -1.06055340075748      4.06449641975425
  H   -7.43491126194859     -5.46020087546025      6.46791777340924
  H   -9.46181524410971     -6.79229535573733      7.03157559532119
  H   -10.98980097532502     -7.58308791426582      5.19974530999567
  H   -8.48633574773835     -5.67536710157301      2.27759365403050
  H   -1.45342586910250     -3.79138893912471      6.11570652990231
  H   -1.48761079013785     -6.50472685691313      7.52160091822531
  H   -1.21980582504379     -4.94594033219786      8.31870568350484
  H   -2.80584738431902     -4.13950153199717      9.48386910578148
  H   0.34472825484244     -3.85937335727970      4.18708243731672
  H   2.81471018019601     -3.84794458922244      3.94669757000023
  H   4.25246357736388     -4.92123685431178      5.71456159276286
  H   0.73788883568382     -5.97029378275914      7.94182601908388
  N   -3.82155939567545     -3.28985188328882      4.96397355550569
  N   -4.22816380692165     -2.17978159066832      5.46673526299908
  H   -3.64934431166610     -1.70592074993452      6.16303474176382
  H   -5.19400792520615     -1.86278363557030      5.24641779133418
