118
Coordinates from ORCA-job /scratch/magstr/orcajob__5655482-bdaW/orca
  N   -3.27845519729322     -3.38739165300423      2.29701568114851
  C   -2.98516911519681     -4.25234811898168      1.14758822417977
  C   -2.84903507805025     -5.69232511401304      1.58559157334416
  N   -3.90105454268089     -6.00502207453891      2.57357366672026
  C   -5.22871302465523     -6.19856146521325      1.95312315972969
  C   -6.30579512336086     -5.88200798518834      2.97012796776804
  N   -5.99622621532732     -4.62205888370563      3.65627048864620
  Mo  -4.13550794364873     -4.08412801405495      3.92656990292671
  N   -3.22174597303350     -5.37015515801224      5.10738247981328
  C   -2.58360930706691     -6.55676093005363      4.52479592861508
  C   -3.49662408438376     -7.12364227033196      3.45332417062267
  H   -2.40343970531293     -7.31475682900879      5.29948070224509
  H   -1.59753702671928     -6.29754499646842      4.10408175046415
  H   -4.39899527409849     -7.53566516780480      3.92443859065488
  H   -3.00982195014215     -7.92356782525824      2.86967148130445
  H   -7.27061783793670     -5.81126363126539      2.44811467062085
  H   -6.39764937444267     -6.69760631747250      3.71062122325014
  H   -5.31400697785240     -5.49642825063604      1.11376184137531
  H   -5.33751616078502     -7.22300294878800      1.55794226839529
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  H   -3.76655832323329     -4.12448583125797      0.37414469221381
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  H   -2.89124597493913     -6.38504410122352      0.72808240165334
  C   -4.12568546488740     -1.00356620241430      2.16286797018976
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  C   -0.42639612325438     -3.50329096184144      3.51511933355748
  C   0.60951650545459     -4.42936311777167      3.39596805660101
  C   1.54252064535255     -4.30070296438073      2.35689187256186
  S   2.82984879443681     -5.51557885367064      2.19625501061555
  C   4.30685771713420     -4.56005533478881      2.45159501784899
  C   5.50382403323090     -5.09689346796431      1.95777901533134
  C   6.70964113236816     -4.43641303478010      2.18679380181907
  C   6.73023826804096     -3.23062504368961      2.88838975336489
  C   5.53377596016509     -2.69544079779467      3.37162015167841
  C   4.32431748395241     -3.35748009276886      3.16719745963918
  C   1.42978843409892     -3.23377426461442      1.45054744068857
  C   0.39922748550807     -2.30640561820629      1.59276670438342
  C   -8.23794150283817     -4.80444353094267      4.76514127791629
  C   -7.16768355591515     -3.88033162754299      4.18447696051321
  C   -7.72870103058047     -2.88182332162932      3.13139015999258
  C   -8.09268135402403     -3.48883544785544      1.80498992416836
  C   -7.16514607001740     -3.50027502958273      0.75580307935253
  C   -7.44146065345116     -4.14285586286642     -0.45024941358096
  C   -8.67528076609348     -4.78006404653669     -0.64111418457040
  S   -8.99656438898977     -5.52609633760854     -2.21865163048514
  C   -9.87138447372445     -7.01911509835485     -1.81112556486749
  C   -10.89900944363211     -7.43020349103936     -2.67502374061608
  C   -11.55672040841909     -8.64252697364376     -2.45153777215953
  C   -11.21141916206248     -9.43749991410017     -1.35859546365709
  C   -10.19097931864433     -9.01972875285336     -0.49278574956694
  C   -9.51180323425733     -7.82334851595919     -0.72129513199411
  C   -9.63344885110123     -4.73623058984701      0.38264066713894
  C   -9.33886844173034     -4.10203838996876      1.58668908029300
  C   -4.71550708181512     -5.26960730344014      7.10309172960330
  C   -3.27177136107455     -5.34297276308828      6.59604320363295
  C   -2.40096589347083     -4.25178922109560      7.23908929746572
  C   -0.90889259249066     -4.37958642062186      7.04055871214707
  C   -0.24511678691073     -5.61052678874919      7.15781521573071
  C   1.13553835450786     -5.71178453583713      7.01701627722421
  C   1.90387654307514     -4.56531803847729      6.77177060726611
  S   3.65258694535536     -4.60321049661814      6.49569820424902
  C   4.19724867188711     -6.00028854226375      7.44831726316963
  C   3.89236946562672     -6.11376735865229      8.81240649138546
  C   4.40218454894591     -7.18126205578716      9.54508099088183
  C   5.23858429172713     -8.12478675630644      8.93382508985908
  C   5.55278585789155     -8.00181362959981      7.58010186476716
  C   5.02570007779074     -6.94857770936243      6.83041263982031
  C   1.25816825013776     -3.32580354380035      6.66681152992002
  C   -0.12539117698020     -3.24443821729053      6.79753997933246
  H   -4.45568763297408     -0.95482430356181      3.21166020813497
  H   -3.81345438774399      0.00451354332904      1.85250169749585
  H   -4.98111668440362     -1.30166427058908      1.53785218971334
  H   -2.69284450068872     -1.95950814903041      0.91381564457364
  H   -1.98056753420762     -1.36927586732691      3.82165709523065
  H   -1.44474895354428     -0.49446851570378      2.36997483745958
  H   -1.13479513222477     -3.58025858722662      4.34214448887749
  H   0.72428116890205     -5.22807534486509      4.13223989991969
  H   5.48657563444203     -6.02643648995592      1.38953571248324
  H   7.63624547630037     -4.86183159726126      1.79944419525774
  H   7.67272695143135     -2.71036585959651      3.05628584808864
  H   5.53997786846170     -1.75893532314830      3.92786136377672
  H   3.39917480788609     -2.94594988488164      3.57210935677252
  H   2.16141882955298     -3.12707371627809      0.64547096583416
  H   0.32893462330400     -1.47309926976738      0.88748109630365
  H   -8.99969681357013     -4.19153546014194      5.26642408099291
  H   -7.80441924971020     -5.48439291373111      5.51155488562779
  H   -8.74711528703390     -5.40462716758144      3.99967620758247
  H   -6.79063234931968     -3.26182008392181      5.00923608594132
  H   -6.96705862302560     -2.10238458224500      2.97812801666208
  H   -8.60689919270586     -2.39684636601002      3.58596034778610
  H   -6.19438948420405     -3.02017382170505      0.89994203651772
  H   -6.69530136270790     -4.16064119140636     -1.24565943705078
  H   -11.18357032607631     -6.79639030263220     -3.51590425813757
  H   -12.35399960877831     -8.95721441409043     -3.13161762669051
  H   -11.73451756912319    -10.37842135904279     -1.17950405436934
  H   -9.91209544190533     -9.63907602403898      0.36035748680456
  H   -8.70396369478622     -7.50990402688232     -0.05337466355369
  H   -10.60924013963350     -5.19984889410320      0.23161043119289
  H   -10.09727590743895     -4.07356286501578      2.37129051505629
  H   -5.32703477716993     -6.05875342603761      6.64314196184901
  H   -5.16886964613033     -4.29684422694118      6.86322159014014
  H   -4.74034064270544     -5.40022489781608      8.19466264638797
  H   -2.86702215949449     -6.31540670848140      6.91661270724696
  H   -2.62411120588591     -4.27919614708618      8.32051680953914
  H   -2.73694924968169     -3.26327893419465      6.88742576571527
  H   -0.80995235221081     -6.52077807040128      7.36633378603745
  H   1.62007787027217     -6.68375753159510      7.10100972215116
  H   3.25956432214874     -5.36330568108761      9.29302150027761
  H   4.15990403179612     -7.26717884303401     10.60523267846911
  H   5.64675075709718     -8.95110118344374      9.51468476737755
  H   6.20480016054351     -8.73484408826605      7.09755074860649
  H   5.25341238026222     -6.85749645510655      5.76749716822294
  H   1.84635437041111     -2.42666500900766      6.47563289914438
  H   -0.60717302393306     -2.26790019490737      6.71521380511302
  N   -4.32468358441949     -2.67808043923092      4.93379692829308
  H   -4.47172953812166     -1.88043250777513      5.55567124551429
