81
Coordinates from ORCA-job /scratch/magstr/orcajob__5661778-lT6K/orca
  N   -3.03052130334468     -3.39824833882774      2.45134877655687
  C   -2.53986184925549     -4.15560396252173      1.29295166756684
  C   -2.25302577113100     -5.58742718999449      1.69749569854055
  N   -3.36873762648655     -6.09698731800270      2.52924190526344
  C   -4.54525295052899     -6.50474404518982      1.72323569492500
  C   -5.79758790057590     -6.36741629267222      2.57935587117468
  N   -5.79818719779215     -5.05173742995727      3.22762773706298
  Mo  -4.04953107442013     -4.35479544051831      3.84864846001472
  N   -2.99713584676730     -5.42943384321872      5.11363228563427
  C   -2.21546300733324     -6.57364909785882      4.63549329088108
  C   -2.92840978910114     -7.17946151001816      3.44546238838242
  H   -2.12462278583206     -7.33957474153908      5.41881529174533
  H   -1.18713226406440     -6.26355920524168      4.37776121390985
  H   -3.82964459737940     -7.69979727376599      3.79622746286647
  H   -2.29613586158730     -7.90539795807003      2.90592930598700
  H   -6.68810216102268     -6.46518661403950      1.93161549006632
  H   -5.86148885015304     -7.18539548782103      3.32284138386720
  H   -4.62014865547763     -5.82269921068641      0.86476783044037
  H   -4.41173860767451     -7.53044967423155      1.34281276392385
  H   -1.60859738186418     -3.71789109331705      0.91003017860193
  H   -3.27167435876448     -4.10894017047572      0.46866550254053
  H   -1.34935081882633     -5.60316551786502      2.31547418352674
  H   -2.09045754840497     -6.23753993140625      0.82238330182329
  C   -5.16039087247054      0.85133950143699      2.10477208214955
  C   -3.82350232353268      0.16530418439955      2.02064715749887
  N   -3.92874543729844     -1.16955556850051      2.62969641096805
  C   -2.72172425412096     -1.96845592613104      2.40909932255445
  C   -1.63783944510180     -1.59113150236529      3.41922908844911
  C   -0.26632973220064     -2.19595024870738      3.16191679891192
  F   -0.25147514831325     -3.59815837097304      3.45812469697525
  C   -8.42469081037852     -0.96482463327947      3.56180995133276
  C   -8.50284216766349     -2.47672549605169      3.39481852031958
  N   -7.15355871489098     -3.08321298372016      3.53890282231513
  C   -7.15708067990064     -4.53508344625948      3.43718127931212
  C   -7.87015664777077     -5.27976121774840      4.59319820854228
  C   -7.32287184221206     -4.91501289058518      5.95633942841462
  F   -7.73979225374856     -5.86631251003270      6.89903090857192
  C   0.24139082138394     -4.41852166961151      8.39276172277526
  C   -0.08612740320880     -4.90401887302890      6.98141502021624
  N   -1.29132875182175     -4.27904305817080      6.42031436356909
  C   -2.60313050614484     -4.91894939903467      6.46755585221339
  C   -2.75055837763199     -5.98826497020942      7.56392332982425
  C   -4.15537960905019     -6.58180829244311      7.57656507016393
  F   -4.28046002858209     -7.47116509961679      8.67006045145467
  H   -5.04666706122929      1.86633732106318      1.68277024160104
  H   -5.52031145645674      0.92321530079283      3.16486410314852
  H   -5.95658537876496      0.30079015445697      1.51885475470800
  H   -3.04666863324665      0.74902857498476      2.56370297685322
  H   -3.47751209613226      0.11736885352772      0.95981940717301
  H   -4.72571121918151     -1.67961546864230      2.21814744896784
  H   -2.32396577924613     -1.74092219993430      1.39904479935365
  H   -1.97729477728584     -1.85811299012872      4.43736098442779
  H   -1.50407714050127     -0.49278631711835      3.39410424034570
  H   0.05281992403967     -2.09040843863532      2.10640089179941
  H   0.49138406956169     -1.73794465067311      3.81220988903774
  H   -7.75692186279074     -0.52706071424053      2.79355117017970
  H   -8.02500713870484     -0.68981900066011      4.57195061862562
  H   -9.43902927373073     -0.50855693249589      3.46066610028708
  H   -8.88291085036402     -2.73712507810199      2.37436017701745
  H   -9.25146835476288     -2.87612696814238      4.12551526270323
  H   -6.74664200360160     -2.78804578732961      4.44213375006288
  H   -7.72431428544667     -4.76781230988281      2.51770091551008
  H   -8.94953803813292     -5.07056646139381      4.54997699343997
  H   -7.75711310676836     -6.36474430776733      4.44755020243046
  H   -6.22352962252983     -4.91824649202585      5.96388975978037
  H   -7.67709487184745     -3.93865338523050      6.30938636596560
  H   0.37887733433029     -3.32363844395936      8.39625639507966
  H   1.16467554546919     -4.88778839002839      8.76528334843449
  H   -0.56409518579139     -4.66244922199557      9.09560341402608
  H   0.74444713573520     -4.63440059089872      6.31483804734132
  H   -0.13831408110346     -6.01019084511796      6.96948866659990
  H   -1.11485097551872     -3.97377332121852      5.46115516698423
  H   -3.36158467154094     -4.14822179845664      6.68158747678867
  H   -2.01273544930655     -6.79664411657009      7.46316830983849
  H   -2.56249752013531     -5.50718901954096      8.53685575774925
  H   -4.93397253023002     -5.80583220894970      7.69590343869440
  H   -4.36766332843541     -7.15167369242989      6.65652372678596
  N   -4.43117878560235     -2.96651322556944      4.83434047416100
  N   -4.65437798941765     -1.76417993976293      5.32991191875621
  H   -4.23926805275599     -1.58715274840178      6.24738032056450
  H   -4.44292509612635     -1.05842932164971      4.56253631294261
