87
Coordinates from ORCA-job /scratch/magstr/orcajob__5668028-Fddx/orca
  N   -2.92736753024980     -4.06579038062517      2.61595557412122
  C   -2.36952902871692     -4.97405224109277      1.62532422048147
  C   -2.03855992478072     -6.29637334475948      2.28422267915038
  N   -3.17535256842288     -6.70392658821463      3.15640668446634
  C   -4.33268386829214     -7.14890403353614      2.33832459066687
  C   -5.59324956448128     -6.93419871799968      3.13240535066268
  N   -5.50996994934533     -5.62405331582231      3.76342484080800
  Mo  -3.72122793291947     -4.82639249109600      4.30990971200524
  N   -2.25629657023386     -5.79188515747059      5.24113257935465
  C   -1.83858621587272     -7.15376770208079      5.14143332547842
  C   -2.77444998421996     -7.77024701635461      4.11395672030474
  H   -1.93822667055207     -7.67867355391577      6.11185531262522
  H   -0.77423991380377     -7.23429420672635      4.84913072793891
  H   -3.69021976042311     -8.12615550581413      4.60198305415026
  H   -2.31611680600494     -8.60925998504256      3.56553468400062
  H   -6.45428416839954     -6.99620886895193      2.44886801776142
  H   -5.75080485635882     -7.73371294791381      3.88430070733305
  H   -4.36187776117280     -6.52539069284164      1.43640032238973
  H   -4.19198909332927     -8.19935419537966      2.03302101634445
  H   -1.43923944751696     -4.57165265991239      1.19135503882481
  H   -3.06741448489628     -5.12150553729938      0.77617359614256
  H   -1.15622904470045     -6.17386219277144      2.92294466817882
  H   -1.83563187124549     -7.08563353233981      1.54100341701224
  C   -2.89889306525481     -2.64962292247573      2.25860795475036
  C   -3.92385143093948     -2.35363945923799      1.09507163414950
  C   -3.87739903980538     -0.96343298073771      0.56420790450005
  S   -3.43073391188267     -0.54721523672107     -0.96059805928442
  C   -4.23301895426995      0.16037863387422      1.49125107376144
  O   -4.43138008779262      0.01425451844115      2.68561630564047
  C   -1.49459417171790     -2.14816512649638      1.96670510502894
  C   -0.85717619925947     -2.30403987506930      0.72614661142756
  C   0.44805146251526     -1.84673558137632      0.53523983143638
  C   1.14449942331658     -1.22337382682344      1.57228905946107
  C   0.49181760769374     -1.06427630845668      2.78868754256867
  F   1.14901412028002     -0.45273198101644      3.81046787242090
  C   -0.80598345567299     -1.50864026429159      3.00558997026255
  C   -6.82351902165830     -4.99199014751774      4.05670535435024
  C   -7.14452087369960     -3.91505689081027      2.99300698983675
  C   -6.82286407903437     -2.50864265451541      3.44480913792273
  S   -7.77620099293437     -1.21106304846897      2.99644585534994
  C   -5.69438075900621     -2.26908521000024      4.27929701355925
  O   -4.77900612167323     -3.12710003516415      4.54023964575907
  C   -7.94402574042329     -6.00326390601746      4.25948264235441
  C   -8.12340253842528     -6.57163216409856      5.52809662694161
  C   -9.12315512085561     -7.51895926112402      5.75313585879782
  C   -9.96693154101943     -7.92406402936493      4.71666459906054
  C   -9.77738126524826     -7.34824538719343      3.46697885179003
  F   -10.58825208559681     -7.72417532504159      2.44014583034775
  C   -8.79280907174531     -6.40030471736867      3.21732043432765
  C   -1.79149699778949     -4.82730187550687      6.20012235446305
  C   -2.30692356634089     -5.14770614258441      7.64325721638580
  C   -3.75344498766374     -4.82689560820229      7.81409576116832
  S   -4.90668743955810     -5.25887366807621      6.67924194806704
  C   -4.14144929867904     -4.04792019804310      8.99578922619571
  O   -5.28279174333958     -3.71231399911906      9.30187991538849
  C   -0.26250205917513     -4.72322691222843      6.15646985726505
  C   0.32069704789279     -4.07554180768930      5.05992173605130
  C   1.70573099952473     -4.00933067722346      4.92447908359080
  C   2.54220891649532     -4.60239293903285      5.87545349323952
  C   1.94442561350348     -5.25371400991387      6.94578391821297
  F   2.73761244161520     -5.84395395725912      7.88280473179877
  C   0.56502646966898     -5.33115687009346      7.10740408259135
  H   -3.25085842089709     -2.09389684987092      3.13069840922541
  H   -4.91805118369978     -2.52469639252289      1.53512132109383
  H   -3.77589862340356     -3.05911726641289      0.26911835159259
  H   -4.26199956044226      1.15874246330473      1.00109090098284
  H   -1.38965681817194     -2.75433133715072     -0.11158669985536
  H   0.92929232137832     -1.96969338220774     -0.43612514847711
  H   2.16239583162864     -0.85577812881164      1.44502106272965
  H   -1.27401003300011     -1.36890128070517      3.98086820781778
  H   -6.72504936192866     -4.48269118718845      5.02609611412501
  H   -6.58455090272096     -4.14002904588292      2.06715905614890
  H   -8.20722223135296     -3.92819034352913      2.72187118623792
  H   -5.58926229451362     -1.27435557275267      4.73046960851460
  H   -7.47932697610579     -6.25512415890128      6.35023659744765
  H   -9.25505898931829     -7.94221165267674      6.74954983902739
  H   -10.75861507006345     -8.65773051655567      4.86744357641831
  H   -8.70817270883624     -5.98512284378255      2.21266403254055
  H   -2.93399778886304     -3.07746544495639      6.24987351098998
  H   -2.10807342170846     -6.21527502025608      7.84862897529523
  H   -1.71821083855846     -4.56917263162966      8.37275484529268
  H   -3.27616941426096     -3.77311556805467      9.65265024542264
  H   -0.33532627495698     -3.61318831508867      4.32472857611926
  H   2.14532622578944     -3.48700077769711      4.07309893321454
  H   3.62784056049827     -4.56351543045378      5.79581144895037
  H   0.16813094813966     -5.85972259743210      7.97354642522096
  N   -2.47901844073591     -3.70039999877611      5.57646581278049
