86
Coordinates from ORCA-job /scratch/magstr/orcajob__5668027-usGb/orca
  N   -3.58031420948799     -3.97933091980390      2.58552710837716
  C   -3.48439804608739     -4.84769894200025      1.42769906517609
  C   -2.65216514410903     -6.05625223670561      1.82696949417004
  N   -3.32363504445148     -6.68817079296214      2.99934302976636
  C   -4.48871464853563     -7.50060009242636      2.52950460954401
  C   -5.69036219183790     -7.19314255995428      3.39098743398959
  N   -5.70086144386479     -5.76100781409662      3.59596777195358
  Mo  -4.01028125499508     -4.92701414791832      4.33669691374956
  N   -2.06241060943597     -5.28670779269261      4.68837595582737
  C   -1.47948162219863     -6.61343821382553      4.62867007661874
  C   -2.37998480139268     -7.51758181750569      3.78775367121901
  H   -1.38411712583409     -7.05493387139080      5.64011060907935
  H   -0.46017622026690     -6.56147674176994      4.20732056188875
  H   -2.98548478284539     -8.15272907886796      4.44354913354544
  H   -1.80194880005493     -8.16581971531593      3.10765311849274
  H   -6.60420361328207     -7.53607724486118      2.88225405497679
  H   -5.64246863915514     -7.73826978887763      4.35736979809098
  H   -4.70683559315364     -7.21979941923869      1.49200759263011
  H   -4.22407781821870     -8.56799340977335      2.54273591191583
  H   -3.04451394424995     -4.35239802892607      0.55163695944245
  H   -4.49995965413443     -5.17516821716016      1.13224240700126
  H   -1.65146880887435     -5.73142686870280      2.13730363884191
  H   -2.55458098452407     -6.79790235591444      1.01606775061372
  C   -3.01386502328315     -2.64699340648762      2.51174041335389
  C   -3.71214463575729     -1.81574203782471      1.35916420448387
  C   -3.11963213002977     -0.46572980907307      1.15688878747126
  S   -2.14661685547718     -0.04406187952360     -0.09563063736735
  C   -3.36409508188118      0.57755363621147      2.20570023620401
  O   -3.86381656988864      0.33597592373128      3.29192935046066
  C   -1.49456425856997     -2.52107356898379      2.41466544186496
  C   -0.71809644875693     -3.05711714366034      1.37735890859336
  C   0.65171212432370     -2.79299629791946      1.30305843894844
  C   1.27985441569827     -1.98214065041139      2.25014927359307
  C   0.49726737797804     -1.45846347697756      3.27018304094714
  F   1.08378947564374     -0.67919370866402      4.21473240728409
  C   -0.86517721304306     -1.71102203001607      3.36994493695040
  C   -6.94991802633982     -5.17148784543660      4.19572830612962
  C   -7.44442107856683     -4.01868267681539      3.30727912571400
  C   -6.79716212014718     -2.65953359768377      3.43005758787775
  S   -7.45533385276126     -1.36782700920605      2.55082067701316
  C   -5.68584865535577     -2.35740734724631      4.23173588503774
  O   -4.88621788641301     -3.20929134154023      4.81930991828584
  C   -8.03992743121626     -6.20512059177151      4.42356047628070
  C   -8.15803017409132     -6.80193149259633      5.68564544735881
  C   -9.13832970142655     -7.76709049476053      5.92524823076810
  C   -10.01846985605617     -8.15557798802813      4.91298141640851
  C   -9.88807755931684     -7.54650811946548      3.66981839527707
  F   -10.73914970575310     -7.90849553130484      2.66953413140017
  C   -8.92446473837643     -6.58303279934484      3.40297723389823
  C   -1.59358491432689     -4.41368405212086      5.77138016235170
  C   -2.37352670865555     -4.75778217355930      7.05600905844697
  C   -3.82810450213527     -4.97943987517556      6.68550204931793
  S   -4.35460694691983     -6.55678824814250      6.17839928571777
  C   -4.81344240334144     -4.08146655874056      7.31120509852767
  O   -6.02465981454656     -4.25455558347668      7.38272504763052
  C   -0.07694583280735     -4.40280425738449      5.90265033863007
  C   0.72965810283466     -4.36694413656498      4.75647117491023
  C   2.11862736701814     -4.33053896147935      4.86447940048398
  C   2.73846442208409     -4.32953880479623      6.11666748960637
  C   1.92282693824285     -4.36430479749970      7.23954276212666
  F   2.49999718084832     -4.36380848106955      8.47204018595136
  C   0.53455388001665     -4.40335447439971      7.16217259289343
  H   -3.28685533606120     -2.13798656186234      3.44312129811441
  H   -4.76836845678473     -1.71131823408657      1.65662864533599
  H   -3.64700936678486     -2.37331527992622      0.41760873698023
  H   -3.01625129291967      1.59758187433945      1.92183153427144
  H   -1.17473644977551     -3.65576873257430      0.59138132846927
  H   1.23794373690096     -3.21170306081122      0.48357549842553
  H   2.34608450285046     -1.76087985570155      2.20787113966235
  H   -1.43362584448836     -1.26395776915099      4.18734637797451
  H   -6.71775247415404     -4.78570699371066      5.20066430590406
  H   -7.40601734551390     -4.32695139338900      2.24972940798395
  H   -8.51216010051777     -3.85666356111461      3.52762089326753
  H   -5.42917377581906     -1.30133157399838      4.37597748454466
  H   -7.47293068975275     -6.49560987616045      6.47802256441033
  H   -9.22425096825091     -8.22010598462630      6.91416398337992
  H   -10.79442258854984     -8.90370891539789      5.07583307073822
  H   -8.87918132285215     -6.13980672863057      2.40732845185063
  H   -1.88422657192175     -3.38190631922703      5.48875858433705
  H   -1.96340669223418     -5.66275524991334      7.52946456018668
  H   -2.28547082870884     -3.93356986674951      7.78182702044859
  H   -4.35462958010635     -3.15324984850135      7.73841153896065
  H   0.25806758863372     -4.35911537987675      3.77378958603002
  H   2.72994334611711     -4.29608431799898      3.96148926842095
  H   3.82239063406585     -4.30022759597485      6.22723657048062
  H   -0.04285228182911     -4.43115701505690      8.08541220207847
