114
Coordinates from ORCA-job /scratch/magstr/orcajob__5668099-Iw70/orca
  N   -2.70447719567470     -3.53976944173251      2.42643443893409
  C   -2.11140635046517     -4.50907851585153      1.49217949276414
  C   -2.28840184451277     -5.92523261088247      2.00822517446490
  N   -3.65878473011089     -6.08492278394924      2.53348718601236
  C   -4.67175105375397     -6.07161365894327      1.46699819459096
  C   -6.03276641364451     -5.75191991934508      2.05037389723529
  N   -5.96214621922640     -4.65981894275823      3.03173446928103
  Mo  -4.04615989394685     -4.33566566014370      3.74302475102011
  N   -3.13846347096666     -5.52029369545160      5.11573471892030
  C   -3.03448435418430     -6.93971535068389      4.73965710405882
  C   -3.80152718898508     -7.22618753338304      3.45869846440728
  H   -3.44050661188218     -7.60975815871134      5.52405230157176
  H   -1.98099239931170     -7.25557812519689      4.59964970086002
  H   -4.87422704069248     -7.32807319548367      3.67061658382728
  H   -3.44930058061073     -8.17143535685785      2.99781370337190
  H   -6.68015701223313     -5.49872681684054      1.19194797692266
  H   -6.47481057530306     -6.67211856897479      2.48679541957245
  H   -4.38193927282862     -5.28238908742980      0.76181135384022
  H   -4.69627346743756     -7.03540158667834      0.92034545795956
  H   -1.02439399947997     -4.36102244542009      1.35803594992441
  H   -2.54306941977204     -4.42282409216631      0.47417199986286
  H   -1.59831437447770     -6.09904972672301      2.84407320948540
  H   -2.07415855031802     -6.67078847740199      1.21866945996027
  C   -2.43550753592925     -2.14089667877846      1.98816534134398
  C   -0.93434318176723     -1.91316882355790      1.67396185905852
  C   0.03902170254859     -2.35310564757600      2.76553429599761
  C   1.49492734746437     -2.17576300954565      2.33583685914157
  C   2.50991239479443     -2.80668685555614      3.26932292800119
  Cl  2.42362412513154     -4.62137335188131      3.23085277293486
  C   -2.88903065438657     -1.16328887052139      3.08193552894082
  C   -2.85753419405940      0.31250660116487      2.67933542601623
  C   -3.70969226798894      0.55747639439898      1.43195813876653
  C   -3.27665147740199     -0.36271175207532      0.28959838701715
  C   -3.28262122289803     -1.83240985268762      0.72228707128460
  C   -7.32690225924533     -4.35919314341703      3.55340425933514
  C   -7.81514070829398     -5.47154634818989      4.52235625731708
  C   -6.91998991838462     -5.69746629543942      5.73814115392276
  C   -7.18120106212663     -7.00647858723669      6.49009551688359
  C   -8.55762433689176     -7.03864116413928      7.12681901173641
  Cl  -8.80512602253344     -8.54552053913308      8.10523897338086
  C   -7.37897113602081     -3.00299224937131      4.28122615971382
  C   -7.02685467228525     -1.82751997764784      3.36804972484442
  C   -7.97714582158536     -1.75462892269134      2.17029977894972
  C   -8.04348414339316     -3.09998458072680      1.44081343221196
  C   -8.37610173222174     -4.23166654372214      2.41390760800462
  C   -2.54049491271894     -5.25406979519369      6.47473042964629
  C   -3.66735328561358     -5.47455969737314      7.50996379513841
  C   -3.37557526847224     -5.15730547029517      8.97646859248955
  C   -4.59902212608978     -5.40159622497613      9.85961428567525
  C   -4.40087305609500     -5.06002179744877     11.32356128659405
  Cl  -3.15966753014213     -6.12398861990155     12.11419945852527
  C   -1.33899600846622     -6.18104671224953      6.79222225247973
  C   -0.10894502392232     -5.77335395585296      5.98117501933938
  C   0.44054701918221     -4.42377538735575      6.49071083764807
  C   -0.65336014452898     -3.62329879092740      7.21407886067775
  C   -2.00890990829232     -3.78991505408488      6.52346248069042
  H   -0.67781038904035     -2.43455558613371      0.73653622557136
  H   -0.77560989457708     -0.84549707577593      1.45678823623538
  H   -0.14583245281459     -3.40745599885532      3.02028499087753
  H   -0.13704006531627     -1.78189660268767      3.69239490739990
  H   1.64279698472877     -2.58468596475058      1.32252210050789
  H   1.73997103485043     -1.09998226631068      2.27335536279793
  H   2.34218258999586     -2.52368011310522      4.31688918899574
  H   3.53955258212533     -2.55829328279026      2.98739891906296
  H   -3.92741853761036     -1.43972442381585      3.31082497400518
  H   -2.29177045449054     -1.33056889145407      3.99343243062712
  H   -1.82238271416982      0.64612883182910      2.49077406889747
  H   -3.22642950193471      0.92455253010590      3.51829977129141
  H   -3.65357648405304      1.61363221188292      1.12394656469119
  H   -4.76760308196772      0.35199719513094      1.67667665223154
  H   -2.26844451933103     -0.07270389535340     -0.05298126422810
  H   -3.94327723862647     -0.23313199532719     -0.57850343811040
  H   -2.94227215650124     -2.46268360364661     -0.11373723401386
  H   -4.31669315346387     -2.14226661121519      0.95723777952036
  H   -8.84212034163111     -5.21847644876008      4.83697466890716
  H   -7.89886090900499     -6.41718726599668      3.95892896825698
  H   -7.01196234981584     -4.85425200088402      6.44481851543440
  H   -5.86837252934968     -5.70252280993116      5.40191851883661
  H   -6.42312326317856     -7.13622523725452      7.27831770341709
  H   -7.07780295704647     -7.86108526987126      5.80155299200985
  H   -9.36380247330342     -7.02985898828331      6.38428028730541
  H   -8.70087123740318     -6.20066865094136      7.82156214262255
  H   -6.74792247289663     -3.02944179288175      5.17569015754274
  H   -8.41163635931262     -2.87556209175588      4.65062386474472
  H   -7.05323432446489     -0.87988139189614      3.93221781832185
  H   -5.99863853382709     -1.97181265547752      2.99343591864221
  H   -7.66296588194245     -0.95526594272804      1.48008286355276
  H   -8.98886349960045     -1.48849843559188      2.52620118055519
  H   -7.06869445228176     -3.30154273520897      0.96573933479060
  H   -8.79338145640829     -3.05955406313447      0.63481357659428
  H   -8.50701246900886     -5.18612442757326      1.88408149383518
  H   -9.34811820155189     -4.02161907546280      2.89325407527997
  H   -4.52835816624162     -4.87099840908726      7.17653669227999
  H   -3.99597751959505     -6.52682682929473      7.43638074454165
  H   -2.54207715682641     -5.77129627024667      9.35002055353534
  H   -3.06216372695437     -4.10462675885496      9.08610143473101
  H   -4.92852342905108     -6.44976327273790      9.77052032282931
  H   -5.44156653280076     -4.78060742841208      9.50265294293355
  H   -4.03910332872221     -4.03251130275024     11.45931333405913
  H   -5.31998805476659     -5.19954231092805     11.90443691402922
  H   -1.60509810748226     -7.23331283049724      6.63469294845595
  H   -1.10301362865228     -6.09855887571609      7.86476193421351
  H   -0.40236813040613     -5.67585864454278      4.92300019227091
  H   0.66965814147645     -6.54905129353155      6.02083338210267
  H   1.29044208496285     -4.58733795829804      7.17177341914512
  H   0.82859284051799     -3.84090840626783      5.64256817885389
  H   -0.38498784014442     -2.55527202377828      7.24569038366238
  H   -0.72887371298737     -3.94837433644849      8.26402841578506
  H   -2.74211728222429     -3.13914657017409      7.02423775989681
  H   -1.91233684540819     -3.44766892981371      5.47884955813080
  N   -4.47951645793798     -2.61696558553514      5.22736804256685
  H   -5.11417121927179     -1.86912903960134      4.92964846065075
  H   -3.58269310842109     -2.16793919306954      5.42284905383126
  H   -4.82480361238570     -2.95424244950868      6.13112822192844
