77
Coordinates from ORCA-job /scratch/magstr/orcajob__5668086-Bl9U/orca
  N   -2.63334595234707     -3.07072406331594      2.21296796026841
  C   -1.58510235391053     -3.87691368038220      1.56151325741858
  C   -1.46243249744544     -5.23188409791079      2.22286834410402
  N   -2.78747221096505     -5.60487603389339      2.77161580565955
  C   -3.80847640480999     -5.74877991202330      1.68526793335373
  C   -5.18145925461584     -5.71025367196072      2.31030008950274
  N   -5.18781215895279     -4.63558093374304      3.30671057410106
  Mo  -3.41227174342606     -3.92410289721732      4.10963973245148
  N   -2.63193947141438     -5.48246401479103      5.45762750271519
  C   -2.02129684475311     -6.65781653967853      4.82715077561094
  C   -2.71066651994129     -6.88861407067372      3.51924092948827
  H   -2.15464014336642     -7.54911362055054      5.45915310754054
  H   -0.93439037945884     -6.51623150348679      4.69798121559494
  H   -3.73490609655971     -7.23606625095431      3.69519126637064
  H   -2.18957352007699     -7.63707527819850      2.90160099911543
  H   -5.92954404833621     -5.54544050720257      1.52263275012547
  H   -5.45177673270579     -6.66363879329823      2.80174344481098
  H   -3.71876585201486     -4.90094204282226      1.00226219283227
  H   -3.61649831829102     -6.68556889342437      1.13769166176155
  H   -0.61286284041678     -3.35891720402546      1.59302256444702
  H   -1.83809635392690     -4.01083631350368      0.49829234456955
  H   -0.74939815848104     -5.21555037315725      3.05425458628548
  H   -1.13110944040318     -5.99303422678669      1.49723276289556
  C   -2.88353070063968     -1.89584724265066      1.60983342484753
  C   -2.20688529167928     -1.50443978600429      0.40622791477595
  C   -2.48728395017855     -0.33591849758955     -0.26812706589046
  C   -1.77797812458666     -0.13469547751041     -1.57733310598115
  O   -0.66661017787783     -0.59034558453298     -1.78540754379312
  C   -3.46805845136088      0.58211448798606      0.22449637447541
  C   -3.72302869648457      1.89608923269927     -0.37999454184551
  O   -3.04346305618698      2.40420610156494     -1.26136535166223
  C   -4.12172641145008      0.25171023077861      1.39649771711520
  C   -3.84907351886552     -0.93873537845152      2.10452945827740
  C   -4.50251616367441     -1.10446089257757      3.33454516469233
  O   -4.37649531998027     -2.08647902245600      4.12236889101738
  C   -6.45794932416244     -4.07719878154743      3.52348299663789
  C   -7.08200708404815     -4.26294869906631      4.76379769141460
  C   -8.33990752916088     -3.72955217368628      5.06017120294773
  C   -8.81793546335375     -3.94767522549646      6.45250546306291
  O   -9.71459577843345     -3.33225536389822      6.99962314810744
  C   -9.04220729890510     -2.98970717185380      4.07939330503396
  C   -10.41895352502277     -2.44006522316613      4.26539712351061
  O   -10.89896032180040     -1.62783341170137      3.49040346948550
  C   -8.43426030564111     -2.81550794451700      2.83607780989558
  C   -7.17012696799138     -3.33716268619741      2.52942155490795
  C   -6.64560115801081     -2.98746258630997      1.19297308400255
  O   -5.56049422475372     -3.30768410563956      0.72628975902433
  C   -2.29206834181896     -5.29346800895982      6.75402355988660
  C   -1.28045440434570     -6.07427101866074      7.39294061476308
  C   -0.89162982830338     -5.86569759338992      8.70208977483091
  C   0.16803273181125     -6.78678302619426      9.23752924343987
  O   0.99491680716485     -7.31013039129164      8.51013919445305
  C   -1.53586622444887     -4.87625647882103      9.50944802648066
  C   -1.09404623276123     -4.53036874250561     10.86872217495726
  O   -0.04882503599175     -4.90917199756822     11.37838709933426
  C   -2.57899802198146     -4.16420668366460      8.94628699789738
  C   -2.95604291358944     -4.32788487642341      7.59766965477155
  C   -4.09524596419770     -3.63963708243479      7.13815486390701
  O   -4.48934711108448     -3.59019480375444      5.94026241988010
  H   -1.44818352680022     -2.13799314214517     -0.04563852434612
  H   -2.32483958544958      0.44914732760856     -2.34418775325618
  H   -4.60330952809034      2.43506854281243      0.04916978380949
  H   -4.85558763304195      0.94512109718222      1.81742547118201
  H   -5.17797806205588     -0.30571151574985      3.68048957703870
  H   -6.56510833409370     -4.85402903526187      5.51862862650287
  H   -8.24398346304843     -4.73540427966764      7.00189059700446
  H   -10.99558415363337     -2.83117929485926      5.12662095694501
  H   -8.97922213601463     -2.24537415529989      2.07836780045884
  H   -7.33229836527562     -2.32240397390261      0.61634390494739
  H   -0.74389127435465     -6.85282382393105      6.85235329349207
  H   0.12743053096120     -6.99854595146751     10.32452257697967
  H   -1.79001184987681     -3.85198566763717     11.42027451889745
  H   -3.11540429728646     -3.42664251531515      9.55024943643032
  H   -4.73751069313541     -3.13400585034765      7.87900246560751
  N   -1.81211573317484     -3.13467094159818      4.73198305316436
  N   -0.87511836912368     -2.57674205331645      5.23231617413958
  H   -0.00809384609006     -2.47174593860991      4.66368067131680
