94
Coordinates from ORCA-job /scratch/magstr/orcajob__5655525-6hQy/orca
  N   -3.53658596995880     -3.51666197809900      2.20788641634842
  C   -3.10424817309510     -4.42670660023348      1.13816941932398
  C   -2.63112728112176     -5.74592589182136      1.73493343731090
  N   -3.54519674388914     -6.17922646584725      2.82174061536277
  C   -4.81748161668757     -6.74506548208248      2.30815036409011
  C   -5.90791855148976     -6.58299671868436      3.35978288621220
  N   -5.82078394207422     -5.23970624429966      3.93399405384940
  Mo  -4.05242346432020     -4.33655462380029      3.93332497949493
  N   -2.55260489551382     -5.01201386129197      5.04273956979146
  C   -1.94479160348280     -6.29554162280075      4.69216172318458
  C   -2.89310652737436     -7.08271351242136      3.80225992348180
  H   -1.73848122061438     -6.91003090497759      5.58444108341718
  H   -0.97126151562706     -6.14705651686567      4.18291746614596
  H   -3.69074135043793     -7.50993385411566      4.42395781086251
  H   -2.37187240164678     -7.91104548576380      3.28910546201924
  H   -6.88167391220162     -6.75387711713035      2.86983691296496
  H   -5.81760352610029     -7.36388549300499      4.13998313519912
  H   -5.09162293038107     -6.16474444698076      1.41633301796481
  H   -4.67899969670034     -7.80035060997620      2.01005853235590
  H   -2.26123847408219     -4.00765917948397      0.56402912879835
  H   -3.91920672676102     -4.60285085416740      0.40772698493948
  H   -1.64374755529533     -5.59197708163290      2.19011886875038
  H   -2.54005437422208     -6.53081662091818      0.96203140878753
  C   -3.85085127928222     -1.75641127686740      0.43880266934358
  C   -3.49540836317660     -2.08364192136302      1.89170990397095
  C   -2.15101065309915     -1.43317422589677      2.34165634969606
  C   -0.91942117954421     -2.06545564960044      1.76236061347453
  C   -0.28865887598152     -3.12778969212979      2.43061425248535
  C   0.81475916390534     -3.77217320905483      1.87635122770972
  C   1.32868943318442     -3.36823518409716      0.63627373062288
  C   2.51544474606008     -4.05050083314457      0.04451058973919
  Cl  4.08527219244296     -3.27303823561376      0.58716660294334
  C   0.71703362343896     -2.29466603469519     -0.02612259314713
  C   -0.38835408938813     -1.65357390970591      0.52998350695057
  C   -7.95869129524913     -5.47077989395975      5.19778864790270
  C   -7.09506432079083     -4.60199372856171      4.27804368869518
  C   -7.86560347098674     -4.14921972844890      3.00721201640014
  C   -9.02380007987080     -3.24392585541319      3.32128962620017
  C   -10.35015870445873     -3.69163554886812      3.24432656897479
  C   -11.41276353748223     -2.85196005045719      3.57461795301584
  C   -11.17739517880480     -1.53664900350807      3.99516245632623
  C   -12.31185298144820     -0.63844170331298      4.35643507871761
  Cl  -12.74912537885961     -0.78311901182901      6.13169772965655
  C   -9.85287332495109     -1.08300809332836      4.07362685826802
  C   -8.79367121751577     -1.92331512778517      3.74027873669278
  C   -0.46292169452691     -4.54378522595997      6.37043635969136
  C   -1.96229675835506     -4.29519698554715      6.18381360252967
  C   -2.76988846494638     -4.56507926108245      7.49707606370681
  C   -3.06169195848133     -6.01808460709314      7.72860496949657
  C   -2.16103586804903     -6.86274007707035      8.39513059632994
  C   -2.39404890913265     -8.23508910927939      8.48056887427913
  C   -3.54256177885327     -8.80047934793698      7.91013476526838
  C   -3.76795477127973    -10.27297034340402      7.95110469835407
  Cl  -3.14917076835150    -11.08030052381846      6.42038469652446
  C   -4.46915113076648     -7.95451714330347      7.28463681886643
  C   -4.23246014012176     -6.58540186308157      7.19814873010459
  H   -4.81476389546822     -2.21152500312105      0.16855836538933
  H   -3.94230962920128     -0.66775800880739      0.31512215068562
  H   -3.09300088016926     -2.11085660482903     -0.27380153009545
  H   -4.26061306030855     -1.60666809894634      2.52285849911872
  H   -2.18806360805697     -0.36218539584181      2.08485202518364
  H   -2.11478063915648     -1.50938467233206      3.43881830994395
  H   -0.68796246439904     -3.45701520597514      3.39212352954734
  H   1.29186616455693     -4.59620362227461      2.41331180745368
  H   2.52886098119038     -3.98678172996357     -1.04889229020483
  H   2.59342640806217     -5.09691157511789      0.35907691624269
  H   1.11782645134322     -1.95798899592801     -0.98521266303592
  H   -0.85003452464515     -0.81741680725407      0.00014735159044
  H   -8.85937088275472     -4.92284708593273      5.50773910932718
  H   -8.28405885345866     -6.39344048207320      4.69416790970778
  H   -7.39581266996295     -5.74938149965586      6.09992068911806
  H   -6.84189857131333     -3.68596484833914      4.83199795103288
  H   -7.14081690613574     -3.62284858678207      2.36598514941612
  H   -8.22215084979505     -5.03175307436710      2.45244876451331
  H   -10.55012063550128     -4.71458824001004      2.91651263251555
  H   -12.43961619707495     -3.21923208273620      3.50721623109412
  H   -12.06813689095495      0.41902062744827      4.20813818449057
  H   -13.23061708139116     -0.89008273194929      3.81570108406268
  H   -9.65396905910742     -0.05913042959584      4.39881885033859
  H   -7.76801401917513     -1.55071909137721      3.80316432485529
  H   -0.07759115061569     -3.88203023970357      7.15885059894124
  H   0.09343509761472     -4.32671877514791      5.44732050848287
  H   -0.24571769664012     -5.57964450338588      6.66558009303737
  H   -2.08720809476021     -3.21890152012552      5.98507566776257
  H   -3.71881540246680     -4.01585069525034      7.41209929856480
  H   -2.20934482417340     -4.13661515470756      8.34293954783296
  H   -1.25986505649689     -6.44004832903324      8.84514357093357
  H   -1.67373111017335     -8.88008701189404      8.98937070561682
  H   -4.83036302430319    -10.53552772202371      7.99662650859911
  H   -3.22511727646460    -10.75815550160052      8.76911694204571
  H   -5.37996157660110     -8.37858053520935      6.85401403460047
  H   -4.95353105634763     -5.93839447240919      6.69457175489665
  N   -4.49134517014739     -2.68816237349728      4.88349922800872
  N   -4.75222987774667     -1.70097434863247      5.41717559793899
