78
Coordinates from ORCA-job /scratch/magstr/orcajob__5668056-ltFk/orca
  N   -2.61760768762311     -3.58161061402028      2.46792369637421
  C   -1.88704904625855     -4.64477437117162      1.77466624006216
  C   -2.09984323414214     -5.96321952887215      2.47303456322632
  N   -3.50889397669447     -6.08697735422393      2.90954125215542
  C   -4.44184943816997     -6.22714745360550      1.77030732068817
  C   -5.84678506718003     -6.04736901749613      2.30156946435236
  N   -5.82315462596303     -5.01262784390715      3.34305696237805
  Mo  -4.15467006592534     -4.14138742761508      3.97749438097231
  N   -3.47652887947251     -5.37366755854491      5.45371946369478
  C   -3.05891999426310     -6.75774130631807      5.19245493597215
  C   -3.64937301950944     -7.20071718340889      3.87577777014074
  H   -3.38855945089427     -7.44387511956453      5.98462518948293
  H   -1.95604320706371     -6.80890549093245      5.18812636556475
  H   -4.71685913744005     -7.41055023715327      4.00730495101813
  H   -3.16104468715336     -8.11018878789662      3.48907899564840
  H   -6.52750357467398     -5.77139075730404      1.48024236180141
  H   -6.25311038471808     -6.98282015043077      2.72804964526211
  H   -4.20921651172027     -5.43423729369223      1.04822022983741
  H   -4.31420546397271     -7.20294901666426      1.27258534203501
  H   -0.80258905451837     -4.47276765851775      1.73683676866035
  H   -2.22376297050183     -4.69048738191044      0.72311524048958
  H   -1.47087370804255     -6.00896155449878      3.37091635176529
  H   -1.82870587405287     -6.81178257773981      1.82171825707627
  C   -2.16937977533838     -2.31086252705038      2.25769185662110
  C   -0.82639476394202     -2.01066169201290      1.90091625803046
  C   -0.37527807276205     -0.70421155081978      1.76477279377035
  C   1.06608402079943     -0.50746996467696      1.47425429508125
  O   1.87692210529353     -1.40112609280150      1.29143143367083
  C   1.57634495766757      0.93374649339773      1.35417387957606
  O   1.62501283670846      1.60232974872498      0.37226229607291
  F   2.07040925631453      1.36629770319692      2.55475494363655
  C   -1.24168897971953      0.40372574841057      1.91029614586527
  C   -2.56992943129756      0.15089930747948      2.16929635201628
  C   -3.04855187263551     -1.16820168818369      2.34621864537871
  C   -4.45906070533531     -1.36457327908875      2.38902091504923
  O   -5.02237490227069     -2.44620369205634      2.66825768154636
  C   -7.11584059519064     -4.71834682158237      3.85339776748730
  C   -7.45847602768660     -5.14570074360995      5.14052057154207
  C   -8.73543711485366     -4.89045976399264      5.66099182667664
  C   -9.13127172030486     -5.31771541201616      7.02503852302539
  O   -10.27963278203659     -5.50653509818491      7.37937151800408
  C   -8.02031568504241     -5.38988944634862      8.09857896299696
  O   -7.02835538337595     -4.71434406598424      8.13828632781111
  F   -8.33665132919522     -6.22311122136917      9.09724497610809
  C   -9.69677161521672     -4.22553756118431      4.87864176152771
  C   -9.35293045718672     -3.77827408349067      3.61389443055620
  C   -8.07066888471969     -4.00689079870717      3.08832590921791
  C   -7.73867060962685     -3.44495496166284      1.74977181217224
  O   -8.53474479467876     -2.80992350474486      1.07820610587193
  C   -3.43410960894692     -4.98720192905458      6.78978784409351
  C   -3.90574359585129     -5.83660012713446      7.80966929355458
  C   -3.94365972840672     -5.42424762129262      9.14167396609477
  C   -4.51766591504213     -6.27881877476051     10.21455247917283
  O   -4.55877008221222     -5.94980381238515     11.38614410643203
  C   -5.14602545630851     -7.63607352694931      9.82812267162377
  O   -5.81277773260886     -7.88355841239597      8.86712771345637
  F   -4.92488831666223     -8.55668001657964     10.79020694924628
  C   -3.42507458184180     -4.16666634426000      9.51709477048299
  C   -2.88922079226978     -3.34914181263291      8.54393714285749
  C   -2.90266965660000     -3.72092862695721      7.18056370884384
  C   -2.23339989029964     -2.83995594292923      6.24395602386093
  O   -2.33931230086545     -2.86172914775541      5.00929728226406
  H   -0.08021099775495     -2.79346598882134      1.78135671615716
  H   -0.87935642972327      1.42496779291950      1.78707228904684
  H   -3.28805450738711      0.97181986634026      2.22899570053833
  H   -5.10046452493271     -0.51245800993696      2.09199912476284
  H   -6.71316907869109     -5.68786424566938      5.72489110798875
  H   -10.69007132231528     -4.04892563353555      5.29178886350900
  H   -10.06349808093415     -3.22169246451543      3.00050352851168
  H   -6.70105223661814     -3.61728816177788      1.39534207611088
  H   -4.33160137030362     -6.80017589095524      7.54308624920818
  H   -3.44783573489913     -3.87244278951935     10.56584092371817
  H   -2.44875881056551     -2.38694377024070      8.81477691791026
  H   -1.54209544662186     -2.10066673452429      6.69895178207712
  N   -5.04663402560414     -3.18098300137698      5.17613442569441
  N   -5.83786087600547     -2.70732115454735      6.07560975412848
  H   -5.72277294434702     -1.73241509043248      6.35629660343879
  H   -6.30605856979452     -3.35092397447218      6.72651624724370
