66
Coordinates from ORCA-job /scratch/magstr/orcajob__5670633-Xbv2/orca
  N   -3.98399391924391     -4.66326185264347      1.85988149233050
  C   -4.11339640937835     -5.88950021977485      1.11548547459453
  C   -2.89614765523975     -6.78481928790316      1.41096850660932
  N   -2.71814887091027     -6.96297146673147      2.84785353348628
  C   -3.57348425055457     -7.98185205209788      3.45355692330987
  C   -4.31591657540272     -7.42442697085850      4.68048062818477
  N   -4.96720869581690     -6.17050839640204      4.35520553615629
  Mo  -3.91190050903215     -4.42949145091526      3.94557513263639
  N   -1.85797790304499     -4.70469946853855      4.42236923711860
  C   -0.93004034109615     -5.39534278948931      3.54496088745118
  C   -1.34873760458341     -6.86519111998809      3.34118697860505
  H   0.09868581816138     -5.35275357848755      3.94561004382134
  H   -0.91660748940789     -4.86280394156931      2.58385435083319
  H   -1.30264842258051     -7.36878592923599      4.31715948133680
  H   -0.62621740144747     -7.38088548761387      2.68089400704919
  H   -5.02977855464300     -8.17061649251542      5.06358033406872
  H   -3.59185499937683     -7.25271688615397      5.49274121943697
  H   -4.31535853659776     -8.29707473192157      2.70440553175002
  H   -2.99974302288459     -8.88414521250710      3.74325800310378
  H   -4.18320193430576     -5.71033273985547      0.03009271396645
  H   -5.04247861015388     -6.39642449837571      1.41691661678346
  H   -1.99872388637053     -6.28935764017638      1.01372698865162
  H   -2.99735552502418     -7.75413118714271      0.88273392199878
  C   -3.35221639212828     -3.57068249109549      1.40452184457667
  C   -3.17862578230435     -3.09952985413263      0.07629861592286
  C   -2.63567512926115     -1.84072348435234     -0.10647155923051
  C   -2.24935037511003     -1.07167765686845      1.00789539702110
  C   -2.39670713119677     -1.62260567311671      2.28223406274971
  C   -1.92895395413524     -0.88444826725597      3.48558014812660
  O   -1.95584531943950     -1.27700633579790      4.63217180358771
  C   -1.37596120351138      0.53172924460824      3.25697023210229
  O   -1.97462080895529      1.55454689288989      3.29968748182001
  Br  0.61880921317836      0.45667055926780      3.06059377966585
  N   -2.88914617669350     -2.85753889223467      2.46840538835096
  C   -6.28091743382182     -6.06561446164876      4.04287421656963
  C   -7.30039959304687     -7.03179136808690      4.25657585510192
  C   -8.60976961550251     -6.69461274918980      3.95814676173749
  C   -8.91094641119362     -5.41080202100412      3.49192431488526
  C   -7.84719557793680     -4.52494498146552      3.28235815240878
  C   -8.21510371896425     -3.12382257093301      2.90498600787837
  O   -9.28745596906886     -2.65376632001244      3.22049320353641
  C   -7.23109660674166     -2.26099914162807      2.05067471685672
  O   -6.17927365138265     -2.56894160434651      1.60231275121800
  Br  -8.00007563633486     -0.45494095648722      1.70400988541936
  N   -6.56621765555827     -4.86248337787547      3.47848437172630
  C   -1.96656474584747     -5.03177465591349      5.72571504632016
  C   -1.01250231023164     -5.57862405613858      6.62067484043155
  C   -1.41830696131993     -5.85751921457896      7.91640136619496
  C   -2.74164440450117     -5.60948847765461      8.31824327347448
  C   -3.62181573674032     -5.05614964773353      7.38904490896810
  C   -5.02683557333589     -4.78057719511729      7.79760733746045
  O   -5.63313287979552     -5.45380928528731      8.60695048907900
  C   -5.66502419158286     -3.45890379865197      7.32172682111942
  O   -5.14018432089153     -2.39890447861877      7.45805905796625
  Br  -7.54241194025128     -3.68351270883984      6.76020944776698
  N   -3.24343430364591     -4.78123612569939      6.12952202141380
  H   -3.52076070343573     -3.69292968179384     -0.77127521726546
  H   -2.52186722066674     -1.43597636169874     -1.11352795427347
  H   -1.81611915548027     -0.08052874295767      0.87585197983694
  H   -7.06052816930370     -8.00442677965440      4.68367902876567
  H   -9.41060548823868     -7.41846871899030      4.11707031595948
  H   -9.93228166158645     -5.09193002153107      3.29393043522758
  H   0.00745972951211     -5.77561775557072      6.29364199623725
  H   -0.70866001724125     -6.27294628355191      8.63453897314298
  H   -3.09084622170846     -5.82536860475331      9.32656553130125
  N   -4.63735449566259     -3.03445949359914      4.51376332555687
