69
Coordinates from ORCA-job /scratch/magstr/orcajob__5670645-Nkfh/orca
  N   -3.93314698341011     -4.42723027764826      1.42809233050741
  C   -3.90146016037465     -5.56443629554715      0.51977811033279
  C   -2.74633910960255     -6.46025379474269      0.97001807730997
  N   -2.88643441594852     -6.70933120223185      2.43001417199651
  C   -3.89861455340133     -7.76655951338201      2.68914291007228
  C   -4.61386231240519     -7.47113004259027      3.99934800734868
  N   -5.09012137774950     -6.08631425675762      3.92440804375348
  Mo  -3.73606418094126     -4.69006304090796      3.46916258697595
  N   -2.18379014774324     -5.23772048725838      4.62475179210220
  C   -1.09564766448074     -5.74036471348770      3.77849700121403
  C   -1.58580234925836     -7.00948020059728      3.09606151273062
  H   -0.17027308950247     -5.92237743616689      4.33675686542825
  H   -0.85417232395784     -4.97185393445073      3.02679235539522
  H   -1.75292186226381     -7.78610891620815      3.85482769002960
  H   -0.85691713799815     -7.39786638376369      2.36793344615629
  H   -5.44590913284151     -8.17832207972544      4.12625386768613
  H   -3.93071305764309     -7.59011302342400      4.85704503547051
  H   -4.63654632452026     -7.73943520669988      1.87747513861604
  H   -3.42690682587723     -8.76244635949972      2.69281611679978
  H   -3.74981682566631     -5.24117545174014     -0.52181836832490
  H   -4.86767631413470     -6.08611091825429      0.56332595354374
  H   -1.79746210081001     -5.92720782962212      0.81067463088175
  H   -2.70355626386395     -7.41123374747050      0.41229885909208
  C   -3.08263627837670     -3.37231663892536      1.23275093643564
  C   -2.88536011155594     -2.59157390831803      0.07499824583233
  C   -2.12340817347458     -1.43921297873342      0.19323088768135
  C   -1.58337693114397     -1.07663934028580      1.43786162146999
  C   -1.76733635067878     -1.93092191025831      2.52371798382602
  C   -1.14767322377546     -1.65330477012666      3.84249331955537
  O   -0.92595342551574     -2.48275695368164      4.70440805416415
  C   -0.76823991277973     -0.19511483517538      4.13768014547764
  O   0.29212092801213      0.32397420867689      4.01309980519838
  Br  -2.35362622385743      0.70785016678503      4.92163521657811
  N   -2.45926722897352     -3.08434078236767      2.40203409324748
  C   -6.45257657166967     -5.84521147786986      4.07372273029794
  C   -7.28047268192753     -6.57113885586534      4.96229216285120
  C   -8.63007404269657     -6.24651340160805      5.05333104940906
  C   -9.14817470096893     -5.22064393964004      4.25978479019617
  C   -8.25868615449909     -4.58130128987678      3.39402625252194
  C   -8.70947078719361     -3.55350487783813      2.42571834540705
  O   -9.78448176839921     -2.99768479549707      2.38472218761078
  C   -7.67445493560453     -3.26853821141503      1.30152713656189
  O   -7.47510798135737     -3.93034766519752      0.34041733424082
  Br  -6.86922739805808     -1.42551117134419      1.49744075131013
  N   -6.95426859007513     -4.87474802958741      3.29366560148860
  C   -2.05213211505184     -5.18478405993608      6.00128048733162
  C   -0.93391539113191     -5.71775174694018      6.69716557196784
  C   -0.89378308669579     -5.66347643539528      8.08310189192317
  C   -1.94754257568096     -5.07341893105512      8.78078599600471
  C   -2.99507872078668     -4.56089300846725      8.01531904027997
  C   -4.12376107555000     -3.86524617537985      8.67759776500218
  O   -4.33677030472617     -3.78877133364873      9.87026368272944
  C   -5.05545540518355     -3.10932007013783      7.71223713191685
  O   -4.86481958404229     -2.00668032835529      7.29366632689080
  Br  -6.72736173056608     -4.10202203135943      7.38257914990735
  N   -3.06968955253206     -4.61546863045536      6.67513043711421
  H   -3.36743936376567     -2.86305703333552     -0.86372565754111
  H   -1.96810120799762     -0.79582736313990     -0.67340093979586
  H   -1.00437929531460     -0.16001454434705      1.54682947863997
  H   -6.85941518634525     -7.35058473342521      5.59673424334517
  H   -9.27420770608742     -6.78710510076552      5.74791641753030
  H   -10.19918729373437     -4.93446160442124      4.28293087420584
  H   -0.10266129497482     -6.17722873401555      6.16748174971054
  H   -0.03631047981440     -6.07640091530612      8.61601046600603
  H   -1.96867146131170     -4.99384819732090      9.86678769775309
  N   -4.58544551809807     -3.27666699317547      4.11375971535087
  N   -5.24688744223816     -2.23321918389248      4.42493055230151
  H   -5.21893818855371     -1.88029602829710      5.39008810826523
  H   -5.88116896085070     -1.82192424709880      3.72625402667796
