102
Coordinates from ORCA-job /scratch/magstr/orcajob__5658513-PsZm/orca
  N   -4.19224574443945     -3.72316960872319      3.05588035179698
  C   -3.67082260506851     -4.19160715484991      1.76952405692417
  C   -2.99643055655835     -5.55183646165569      1.89717068256557
  N   -3.81809694361674     -6.44871322436809      2.71533735282699
  C   -5.05307722647976     -6.89588521171669      2.06791495929617
  C   -6.14220216378032     -7.18689062550442      3.09714255101837
  N   -6.18544420151145     -6.18214673497547      4.16155826855890
  Mo  -4.61518682892779     -5.00345475006239      4.51998984756151
  N   -3.04241763461984     -5.92058941665381      5.33391005619910
  C   -2.24614645976538     -6.86492277030831      4.55025012592889
  C   -3.06886592413061     -7.48806517620770      3.42577849614746
  H   -1.86388844937459     -7.68529330429393      5.18246265757594
  H   -1.35150058205742     -6.36570247574923      4.13109961655144
  H   -3.80261094401720     -8.18074743476653      3.86314945515701
  H   -2.41695237190334     -8.07132539632618      2.74536852307009
  H   -7.10221289993207     -7.22187418674782      2.55258007813161
  H   -5.99946737686917     -8.19858127442284      3.52373772617760
  H   -5.39170510529742     -6.07680884850441      1.41817513085817
  H   -4.88734027071295     -7.78399782152689      1.42620080291574
  H   -2.92960812886380     -3.47921649421161      1.36784433535356
  H   -4.48104191271323     -4.24408194340834      1.01725070781320
  H   -2.03274182819503     -5.42543321620568      2.40981899765435
  H   -2.78958020866812     -5.97646508361652      0.89497799915780
  C   -3.44103720291417     -0.01670319510135      3.53696545526783
  C   -3.31724894246711     -1.38043856627135      2.85499574795147
  C   -4.54762384583601     -2.29199839033151      3.05590194860188
  C   -5.69238461484497     -2.04994634364779      2.03819230461726
  N   -6.30786925207931     -0.74950018722695      2.11761454647148
  C   -6.13168898701726      0.30427793397879      1.25721544765298
  C   -5.24088588235273      0.27775227291002      0.16017186137145
  C   -5.12294309627587      1.39301025549398     -0.66814491956195
  C   -5.85691069484333      2.55851446131566     -0.44868341049023
  C   -6.73472740780285      2.59250431432977      0.64721531705835
  S   -7.71660141285587      4.02074752502099      1.03438816758349
  C   -6.87097073682635      1.48750172484720      1.48448148500479
  C   -9.35634539681874     -7.34397469566537      6.04117704342501
  C   -8.22151042890227     -7.40474247713833      5.01910760576732
  C   -7.48975631659521     -6.06236726741576      4.84760406635174
  C   -8.37508476355130     -4.99915335580262      4.16703517701090
  N   -8.00409981046170     -3.68372002222147      4.63691045238367
  C   -8.59800074189483     -2.51801418456107      4.24671324527976
  C   -9.63030465130501     -2.47747010809740      3.28136202895686
  C   -10.20014011883331     -1.25575470092616      2.92660804923934
  C   -9.78854554765322     -0.05358969036101      3.50292524207513
  C   -8.76755255231350     -0.08884290431547      4.46873849089707
  S   -8.16103644429071      1.37980570235193      5.25890715724324
  C   -8.17211120253622     -1.29893577449815      4.82989867574541
  C   0.09643545294434     -5.95061347668084      6.67873337808941
  C   -1.10582328292558     -5.00136729529806      6.71211938016377
  C   -2.52642976576860     -5.60935125187014      6.67855503306997
  C   -2.67904917636336     -6.81192357362712      7.63356133065094
  N   -4.05665878120843     -7.21093897640923      7.86200186245623
  C   -4.95191513869973     -6.39965103281932      8.54634052521060
  C   -6.33609875008165     -6.64980520083352      8.43024663021385
  C   -7.24947711105338     -5.88040545602569      9.13991407883047
  C   -6.83251882726847     -4.84439722720037      9.98015908333468
  C   -5.46062055517272     -4.59284004408432     10.09960323349812
  S   -4.81553031408138     -3.30142384831617     11.12999755626538
  C   -4.52664571491590     -5.35884728982955      9.39098388505670
  H   -2.50761479013195      0.55531327671761      3.43172026209460
  H   -3.64086606469509     -0.13792332670329      4.61256170660960
  H   -4.25304976904990      0.58492999489764      3.11040358877465
  H   -2.44933647354004     -1.91249980487053      3.27826147150676
  H   -3.11069849536300     -1.23999482340853      1.78151255854178
  H   -4.95475037867677     -2.08495663043067      4.05643447122989
  H   -5.32945733628896     -2.21104027959982      1.01375167175902
  H   -6.46291802796125     -2.81627501595171      2.22947407965673
  H   -6.98746994313570     -0.62656121451518      2.86480185446037
  H   -4.63542816685617     -0.60425336494766     -0.04345866162490
  H   -4.42965515050386      1.35265126477826     -1.51118116802104
  H   -5.74753771823579      3.42076381219551     -1.10664260151955
  H   -7.26533813466385      4.79432104818577      0.02105748116881
  H   -7.55214404614304      1.52526717149675      2.33700424542531
  H   -9.81223947261348     -8.33504705692439      6.17563430626628
  H   -10.15363862652774     -6.65400951069366      5.73032489324977
  H   -8.98911291680787     -7.00459255155451      7.01993555663400
  H   -8.61806351815496     -7.75703878406768      4.05304962386134
  H   -7.48160791654537     -8.15365945883149      5.34464577924695
  H   -7.27097795091915     -5.69446741482351      5.86238784123941
  H   -9.43918522896697     -5.18580887280823      4.39525875674889
  H   -8.26413001467874     -5.08947465599033      3.06740571780449
  H   -7.16133308406547     -3.62085239462199      5.21465974042720
  H   -9.97392983409686     -3.39664270584488      2.80796712464119
  H   -10.98979975610093     -1.23805576387056      2.17256231210360
  H   -10.24851309165200      0.89075888795175      3.21181903194356
  H   -8.93306630628872      2.24959768148312      4.56784513894202
  H   -7.37726560223442     -1.32158353031069      5.57949557202651
  H   0.16657013493060     -6.52067239637756      5.74311685612848
  H   0.06965146142017     -6.67258116798159      7.50792300682712
  H   1.02896398296734     -5.37673991255726      6.78121148552231
  H   -1.04560353371801     -4.40907770225472      7.64050666664096
  H   -1.03827902798922     -4.27341658042446      5.88727749593711
  H   -3.19930156208626     -4.82867481254635      7.05754286069047
  H   -2.14129993218724     -7.69091727943416      7.25006125117400
  H   -2.20878225810475     -6.56967367283199      8.59908263211360
  H   -4.47815973015379     -7.68870115178743      7.06946163574737
  H   -6.67824633525882     -7.45677907054281      7.77854141342248
  H   -8.31744515846761     -6.08515225332120      9.03979856630479
  H   -7.56057796393099     -4.24484476950325     10.52679510812324
  H   -6.01178926334680     -2.82843024798047     11.54759426560548
  H   -3.46607177793428     -5.12920020727624      9.49329266335371
  N   -5.19339983787038     -3.99834779098240      5.73587879522461
