72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670655-mszY/orca
  N   -2.58015170805930     -3.59374509889193      1.52813331129821
  C   -2.30905000359766     -4.48819694208552      0.41651229158360
  C   -2.03705578850731     -5.83277796044807      1.04241558392491
  N   -3.21949523588445     -6.11165937876151      1.90730928549047
  C   -4.19380475682967     -6.87988828283158      1.10725127805297
  C   -5.44249222792700     -7.03288595196843      1.91305273606271
  N   -5.77996966214369     -5.76462516672183      2.56069574443653
  Mo  -4.31419520030918     -4.17334649357152      2.64170514676288
  N   -3.25279730896567     -4.71765803900457      4.25990649160920
  C   -2.25608918368557     -5.78191906932776      4.11466809267530
  C   -2.81087237754238     -6.80990976230846      3.15744360789110
  H   -2.04964196679804     -6.25261174954534      5.08897367403066
  H   -1.29607366039034     -5.38109386782870      3.73963439992432
  H   -3.69694690491841     -7.26933585728104      3.60753993899476
  H   -2.07502960801169     -7.59849260964658      2.92849623120591
  H   -6.27245857620782     -7.37284308427191      1.27071886874349
  H   -5.28445179353379     -7.83652848632863      2.65283903914141
  H   -4.38095976975121     -6.31107400572099      0.18538518410369
  H   -3.77474127987198     -7.86244637537456      0.82910896774974
  H   -1.48308365619060     -4.14163301158392     -0.21974713169434
  H   -3.18611435993869     -4.54543862426846     -0.24774732868428
  H   -1.14149904682935     -5.76062667772596      1.67133319826945
  H   -1.89780460467670     -6.65844943909514      0.32626420655171
  C   -1.48664790090446     -2.88868622654955      2.01756639839021
  C   -0.15830605875849     -3.19960170849251      1.61966045734863
  C   0.94587545475539     -2.53814505189900      2.14282654268743
  C   0.78577239431475     -1.52379362069629      3.09282117816407
  C   -0.49841568389531     -1.16966223701081      3.47622076021988
  C   -1.63725744170067     -1.80747978131467      2.94618172822114
  C   -2.97860649715431     -1.42953663937963      3.32808545660671
  O   -3.94801143480999     -2.26747356612591      3.16038048964252
  C   -3.36707356300939     -0.14718117085134      3.88381578196421
  F   -4.65208388970107     -0.18532921519393      4.34724388550892
  S   -2.55736552812523      1.28204842022713      3.98014112000918
  C   -7.00550454817141     -5.87002277986973      3.23490020105621
  C   -7.52768646038454     -7.13671890792821      3.61128268737167
  C   -8.75946315084504     -7.27470400641012      4.23459688180077
  C   -9.55811419397485     -6.15654493374330      4.49787338255249
  C   -9.09765469560548     -4.90556447283653      4.12460518667174
  C   -7.84235002902521     -4.73695494539708      3.50431271679743
  C   -7.29748154206654     -3.43855422959785      3.19494991071564
  O   -6.00445260080683     -3.32845701230492      3.26240222557171
  C   -8.02792685289412     -2.27239720230782      2.78467071200908
  F   -9.39389360567071     -2.45495696774285      2.79495179377189
  S   -7.42760043454988     -0.83331203773943      2.25529765850028
  C   -3.07337199232272     -3.89543777306883      5.38964110243796
  C   -1.79618058920519     -3.42230876441929      5.72867021926059
  C   -1.62435438921077     -2.45656612933499      6.71784861740416
  C   -2.72603151700968     -1.93843797105334      7.40188507489657
  C   -3.99050071579802     -2.45218297937475      7.13327808559168
  C   -4.17962044102878     -3.45725026934608      6.16880108297120
  C   -5.47779545265894     -4.16439463278134      6.15889109921153
  O   -5.64235017236046     -5.32795406559589      5.82320380975142
  C   -6.68598844275405     -3.39970627772981      6.70429190359351
  F   -6.85974253544375     -2.22850740332528      6.05357933695352
  S   -7.67735078859703     -3.90254405983589      7.86652954951470
  H   0.03005882329613     -4.00077768492289      0.90916920741260
  H   1.94406757917858     -2.83621436143104      1.81559286176333
  H   1.64977843372723     -1.01933903462477      3.52616480685286
  H   -0.65142497115110     -0.38321366991381      4.21204083020208
  H   -6.94995553332998     -8.04302012143046      3.45486878366541
  H   -9.09396317994156     -8.27178773894257      4.52737134911945
  H   -10.52038034001244     -6.26127970702242      4.99998213120780
  H   -9.69308661753002     -4.02263695758192      4.34336796778373
  H   -0.93608047553567     -3.75382527509588      5.14762910647028
  H   -0.62346330082117     -2.07373443448321      6.92457345491164
  H   -2.59534920010060     -1.14971767231405      8.14221612726976
  H   -4.84623743300653     -2.09891632936037      7.71138500424981
  N   -5.29824070800518     -3.36068571224492      0.69848707385051
  H   -5.14304028215793     -2.34785593980536      0.71526189802026
  H   -6.31161629998881     -3.49808621572870      0.75711171762788
  H   -4.99752151467642     -3.71542359147412     -0.21108017570149
