77
Coordinates from ORCA-job /scratch/magstr/orcajob__5668085-0lIe/orca
  N   -2.14270346825442     -2.44847449467305      2.19022622747891
  C   -0.92654176891547     -2.83836213545012      1.49246580189692
  C   -0.51558630770847     -4.25562502909766      1.90989494153139
  N   -1.45371649718114     -4.76826980954972      2.93810482214481
  C   -2.73111482506310     -5.25290501942489      2.32274759846870
  C   -3.83578785324432     -5.25195054144352      3.36135136486138
  N   -4.04058053973661     -3.91638655661526      3.93024494292603
  Mo  -2.07801531846874     -2.95759406901162      4.29008524227677
  N   -1.55971093831951     -4.62688084872489      5.55513213748789
  C   -0.39462701302641     -5.33462499248177      5.04094631887525
  C   -0.80716138571875     -5.88302819708486      3.69617972371392
  H   -0.03801780930468     -6.12428951790837      5.71586953647257
  H   0.42731100159599     -4.61125524777331      4.92451611319708
  H   -1.54411633194068     -6.68341297431115      3.83970851914141
  H   0.03255481914005     -6.29402132736460      3.11854233607431
  H   -4.74334154283517     -5.67055910455871      2.91637369294262
  H   -3.55807496446517     -5.92109672123055      4.19722952187441
  H   -3.01287351518364     -4.59370052014998      1.49887562497998
  H   -2.56527192712177     -6.26364382675352      1.91522136453100
  H   -0.13292036693227     -2.13369866472702      1.78720497713473
  H   -1.03155581587110     -2.75728750344812      0.40443304102122
  H   0.48843306562292     -4.24468045318929      2.35243837365923
  H   -0.50354199379486     -4.95096312054734      1.05477955210299
  C   -3.16796732820636     -1.92277736018902      1.50311708912997
  C   -3.37882109564919     -2.14684820977717      0.10635898137539
  C   -4.49527046461893     -1.68766789354063     -0.55533376869487
  C   -4.71053877391814     -2.20021741065947     -1.94392746340963
  O   -3.79045389718276     -2.54289208802763     -2.67037944690339
  C   -5.46246351036026     -0.86931397037031      0.11853536346286
  C   -6.60319497564015     -0.24515073479194     -0.55227055745705
  O   -6.80456220403816     -0.23757656302867     -1.76231234587671
  C   -5.24108590788926     -0.56866821305633      1.45299653866437
  C   -4.13180425452064     -1.07049618346366      2.15874263159561
  C   -3.86115696679059     -0.58011869234824      3.45766620890079
  O   -2.97887844762308     -1.02663376331567      4.24420719999455
  C   -5.29985542870307     -3.42376911098113      3.98239034118876
  C   -5.61348348581799     -2.47006239229781      4.99838627990438
  C   -6.89952480568153     -2.05558821007620      5.30879788031217
  C   -6.96772569452538     -1.11165184041644      6.45030295597376
  O   -7.96709109685977     -0.62635130381673      6.95545430064275
  C   -8.01380003254620     -2.55148544836653      4.56008003187804
  C   -9.42449206760038     -2.21494966252367      4.81832011492896
  O   -10.35699145770287     -2.67974916121530      4.16330446406621
  C   -7.71082121465795     -3.36557439955635      3.47145346453869
  C   -6.41384364784698     -3.76805578569773      3.11431062626647
  C   -6.32435433637094     -4.26682818151830      1.73985795916955
  O   -5.31286068744045     -4.43591038045582      1.06036333477677
  C   -2.26674424047429     -5.17144192159763      6.55510540349449
  C   -2.16644244336894     -6.54923769208355      6.93061661312844
  C   -2.92355866187115     -7.10028767990642      7.94219167046772
  C   -2.85041704494885     -8.58721919575529      8.10401985307878
  O   -1.88675034060440     -9.24053517130428      7.73411346797811
  C   -3.81166834338182     -6.28404995016575      8.72125983952959
  C   -4.53695410517620     -6.76360759066276      9.89907287560702
  O   -4.39074772094420     -7.85749439076126     10.43381465528850
  C   -3.89882463830769     -4.93744309013200      8.40412392545089
  C   -3.16709292974433     -4.36454022266694      7.34652835148587
  C   -3.15476950180813     -2.95825638410252      7.20532300535298
  O   -2.61637926978388     -2.31575142999618      6.26025282872255
  H   -2.71531895819182     -2.80473718406743     -0.45363476546493
  H   -5.76793003155277     -2.29669764883441     -2.26346448083840
  H   -7.30977918846863      0.27138831071538      0.14455564669727
  H   -5.93679485794957      0.09431714123780      1.97588000776945
  H   -4.42374070282305      0.30194851309621      3.80675885831159
  H   -4.79761486245736     -2.08905251474182      5.60642248200051
  H   -5.95263527466841     -0.84833480739877      6.84784423466332
  H   -9.61177434690925     -1.50651876722520      5.65000824812344
  H   -8.54277141732516     -3.66289611412452      2.82577448662753
  H   -7.33022861434799     -4.42415552461013      1.27999049795310
  H   -1.53863656820309     -7.23474047786538      6.36250356792858
  H   -3.74371911003128     -9.07204418806799      8.54608453121881
  H   -5.25741342589229     -6.01789193482694     10.31904118457703
  H   -4.53509706512680     -4.28496358953248      9.00937485539152
  H   -3.61289502804904     -2.35365197165373      8.00708935869295
  N   -0.40669171597706     -2.27121757614211      4.42032780375756
  N   0.71178231989476     -1.76828807744384      4.36441193401121
  H   1.28202616741279     -1.92557523436856      5.21794709977109
