77
Coordinates from ORCA-job /scratch/magstr/orcajob__5668053-OtkK/orca
  N   -2.72740779691124     -3.50869765936556      2.44701560403323
  C   -2.07533959414110     -4.53756558452612      1.62441673801082
  C   -2.05644477817718     -5.87949366325056      2.31028705999569
  N   -3.37430175330597     -6.13967509992463      2.89538927862205
  C   -4.39841005113889     -6.39386920783546      1.87610536430629
  C   -5.76106429051004     -6.21203311078025      2.50202368934896
  N   -5.72772156561591     -5.06231768076284      3.40195111745063
  Mo  -4.08703771873816     -4.03310967139431      4.06775873723259
  N   -3.35207138432788     -5.35507898496179      5.43708384116493
  C   -2.74113877200943     -6.66003397895921      5.16863325295965
  C   -3.30670875937148     -7.22402957949769      3.88560234194400
  H   -2.91993415576548     -7.36605576491571      5.99286735584594
  H   -1.64332709546739     -6.53809663062374      5.10982710777769
  H   -4.31830764647577     -7.60865770854579      4.06812704839975
  H   -2.68968908384812     -8.05945502353612      3.50719009886559
  H   -6.51391711770636     -6.06956258853179      1.70505974000597
  H   -6.08431937844776     -7.11374097434631      3.05874440015163
  H   -4.26396073908405     -5.67339783335510      1.05942706957113
  H   -4.29141996482748     -7.40878264513294      1.44958098908376
  H   -1.04159722432653     -4.29229682800604      1.35205760286952
  H   -2.60837187932431     -4.60060500047151      0.65742874159739
  H   -1.31865072708840     -5.86386295554581      3.12437084478757
  H   -1.76849294531278     -6.67891030555308      1.60076196006383
  C   -2.19312289037669     -2.25275825808950      2.19590085629398
  C   -0.84393894744302     -2.00387479070536      1.85810498369929
  C   -0.37616919018962     -0.71552827495553      1.59227543479722
  C   1.05432612699995     -0.55634954555719      1.27989918807183
  O   1.86485757810177     -1.46848894071307      1.15701581585424
  C   1.58664404645989      0.86917892599802      1.07764540526767
  O   2.01125884580714      1.36071501247616      0.08211551348917
  F   1.60755535096758      1.55169466932315      2.27398302357965
  C   -1.24304417726919      0.40451952425556      1.62676771472994
  C   -2.55762807301605      0.20586278230284      1.97960374061932
  C   -3.04707140958803     -1.08330525662106      2.30513885683223
  C   -4.40005089752372     -1.19452606613846      2.72286116663676
  O   -4.86928280070127     -2.25489065943107      3.25267052359408
  C   -7.02841209218583     -4.78330938702168      3.90877527365122
  C   -7.41735839274865     -5.27000148843620      5.16013294967829
  C   -8.67668535578673     -4.95301707889444      5.67639088834366
  C   -9.09228483023960     -5.43256508361815      7.02580071794351
  O   -10.19841959265411     -5.87155617516784      7.28916066210663
  C   -8.06075338008108     -5.18530739843514      8.13576707801947
  O   -7.03323888696589     -4.57943169036421      8.03043160501421
  F   -8.50166425398162     -5.60918891952915      9.34166787359418
  C   -9.57988313519557     -4.17402683638523      4.92755178752213
  C   -9.18638576449590     -3.66638553042034      3.70005144775260
  C   -7.90969555448840     -3.95414141353554      3.18166776171862
  C   -7.51039539627437     -3.36263121504566      1.88395576142158
  O   -8.22924567718955     -2.62478933007778      1.22343392321415
  C   -3.36182002034298     -5.02013481117635      6.79154322863860
  C   -3.89401585886756     -5.90812357916024      7.73591595254639
  C   -4.01309602240864     -5.55668754773890      9.08458898771782
  C   -4.69436791432505     -6.41858068795737     10.06879036675656
  O   -4.50557710981527     -6.34471407015752     11.28092500889630
  C   -5.76380109115428     -7.38864812473311      9.54618506075687
  O   -6.30668416427008     -7.41220175311110      8.47408612414451
  F   -6.16234149252190     -8.23857290406770     10.52848156224291
  C   -3.47422201674344     -4.32574083568247      9.53704314474927
  C   -2.92682428477342     -3.44973803040797      8.62856209674703
  C   -2.90191331784874     -3.74356409072023      7.23951177024440
  C   -2.39346633110287     -2.76126585095069      6.33384223031704
  O   -2.56973940786314     -2.76468847687688      5.07967088987164
  H   -0.11223145641449     -2.80980867135904      1.82810884564629
  H   -0.87777009036533      1.40526559076843      1.39181387867953
  H   -3.24886055564753      1.05052471417021      2.03424434668923
  H   -5.07134730651242     -0.32665466681103      2.62614755206515
  H   -6.71653270611252     -5.86720943621394      5.74407759891070
  H   -10.56836558227035     -3.95941589059251      5.33612454128678
  H   -9.84913366927440     -3.02816622419334      3.11309479672635
  H   -6.48330000147043     -3.61909931710133      1.54127675846749
  H   -4.30255805731056     -6.85558515110152      7.38922568473015
  H   -3.54394810589032     -4.07899733412942     10.59639989402677
  H   -2.54732237455687     -2.48046849268753      8.96108259415954
  H   -1.80757654904375     -1.92746254745367      6.75985634710597
  N   -5.19549369303434     -3.43111382400264      5.45652677462578
  N   -5.85226889841318     -2.84288567458622      6.27842410689991
  H   -6.84862674966569     -2.65993840735651      6.07087291881657
