119
Coordinates from ORCA-job /scratch/magstr/orcajob__5655488-SScW/orca
  N   -3.00336658734859     -3.94303353140474      2.60183911343004
  C   -2.59914036979676     -4.95740915507162      1.62414855630524
  C   -2.58226620114396     -6.32561283600679      2.26743881134051
  N   -3.75818740952194     -6.46235143921682      3.16001300736820
  C   -5.00010942318094     -6.73313181819536      2.39186165404166
  C   -6.21133995910408     -6.30402353743091      3.19451883375904
  N   -5.95695829856462     -5.01116985907304      3.84324893380835
  Mo  -4.10537606910741     -4.46187397927324      4.17969817948692
  N   -3.30217185512932     -5.49715547709053      5.66829498793748
  C   -2.66791973956957     -6.77400441474430      5.31158867213555
  C   -3.50092546590474     -7.45374102363658      4.23373164906173
  H   -2.60273182009520     -7.43439057166722      6.18945256515155
  H   -1.63185081266576     -6.60943745579903      4.96614459091784
  H   -4.46878734636709     -7.74929454483390      4.66029937647018
  H   -3.00683972530033     -8.35139765957377      3.82422102168801
  H   -7.07025454069787     -6.24044890292040      2.50944698315414
  H   -6.46772791972148     -7.06047026910009      3.95862511586469
  H   -4.95328219099497     -6.13507824437638      1.47188626508392
  H   -5.05758769665922     -7.79744651532070      2.10815162032634
  H   -1.58804895766877     -4.73192292595048      1.24733589552496
  H   -3.27526966532094     -4.91985738171828      0.74797840325810
  H   -1.68018194257569     -6.41356945735828      2.88646998094941
  H   -2.57001501565130     -7.13557278062969      1.51921890201431
  C   -3.63389870343983     -1.52536360661585      2.23702807572714
  C   -2.54733779564475     -2.59778107243638      2.20557341264098
  C   -1.33020190963872     -2.18044403931367      3.07617725423980
  C   -0.17211107152832     -3.12949361601038      2.96972080516592
  C   -0.03922853335541     -4.20817753968817      3.85434532630090
  C   1.00744939521594     -5.11921627299953      3.72407946129121
  C   1.94247450076471     -4.97443515397865      2.69017727587048
  S   3.21008053075792     -6.20259441170651      2.52650987285516
  C   4.69160397714636     -5.25478796326460      2.27290423725818
  C   5.70602911294374     -5.84513075669441      1.50546015346578
  C   6.92813935180681     -5.18983721040890      1.35100711383603
  C   7.13878827113857     -3.94176379660531      1.94199558422048
  C   6.12134466610180     -3.35413115157452      2.69989402781363
  C   4.90223321157092     -4.00641834557692      2.87697021295968
  C   1.82229083474299     -3.89983364772876      1.79571052058527
  C   0.78125405583859     -2.98906386881903      1.94675264665589
  C   -8.29517344252326     -5.16085783419548      4.75489558116233
  C   -7.16432838587600     -4.26282501591532      4.25342864658313
  C   -7.61690602855625     -3.28811735596899      3.12474938171196
  C   -7.83184999721317     -3.92832684133377      1.78260548908939
  C   -6.78150715524878     -3.99818278561783      0.85297103395833
  C   -6.92588020996456     -4.66446079339000     -0.35971150987449
  C   -8.14613807874748     -5.28330946130412     -0.68408676284903
  S   -8.22532106309605     -6.11505350802536     -2.24734726075060
  C   -9.88184761993105     -6.77010329202759     -2.27345014637134
  C   -10.91375401001032     -6.03030637203620     -2.86448697863868
  C   -12.20435090765280     -6.56070360628652     -2.91508092247926
  C   -12.46453359341279     -7.82469245689627     -2.38002191488647
  C   -11.43266567124548     -8.56341737325423     -1.79497061682590
  C   -10.13961577729081     -8.04040691224769     -1.74231397141242
  C   -9.21520466450694     -5.19491564066449      0.21832639319851
  C   -9.05234942173976     -4.52184806351833      1.42943079969211
  C   -5.04294571110090     -5.40849280020170      7.45168676492212
  C   -3.55081459296809     -5.31690408287549      7.11622277610986
  C   -2.94485730302431     -4.02366785458199      7.69372904605764
  C   -1.49143800396078     -3.78738542409145      7.38211334404170
  C   -0.51563198145104     -4.76628041868288      7.62266049711725
  C   0.83086344407350     -4.53974354083710      7.34475782489479
  C   1.23910400870229     -3.30829086557089      6.81272394912716
  S   2.90799939633447     -2.93808073135842      6.35129733708890
  C   3.82662102346577     -4.31632666904812      7.00903023426746
  C   4.30155519266675     -4.26789647469325      8.32623780414412
  C   5.05425263768222     -5.33018167422284      8.82909561277229
  C   5.33824153480489     -6.43443248269142      8.02041511519046
  C   4.86700365756416     -6.47809002925905      6.70623402788740
  C   4.11051253983526     -5.42086582733512      6.19711294905053
  C   0.27757632409267     -2.31186413802062      6.58252751128993
  C   -1.06470366685659     -2.55723053121388      6.86188871143233
  H   -3.92016528554865     -1.25615832330225      3.25957001577563
  H   -3.25667219639375     -0.61934190358730      1.74209246432357
  H   -4.52931017957466     -1.85883076982232      1.69522516459476
  H   -2.19565324920288     -2.67854252228400      1.16229653178998
  H   -1.67272127786325     -2.10882546646085      4.11941747767586
  H   -1.02625406840784     -1.17267314581870      2.75242732207613
  H   -0.73923094278287     -4.31367671300104      4.68481100863959
  H   1.12460416477883     -5.92728816488263      4.44844709457407
  H   5.53369114372271     -6.81163031491915      1.02849882206520
  H   7.71423691222540     -5.65390664427725      0.75321111304824
  H   8.09179410561456     -3.42736773492564      1.81190272738970
  H   6.28041608335333     -2.38229791227400      3.17043636089129
  H   4.11932895047514     -3.55019420577272      3.48452645982232
  H   2.54967724942154     -3.77558535242126      0.99273140995196
  H   0.70093986603284     -2.15109876269954      1.24948702858082
  H   -9.09615537414748     -4.53258686539942      5.16819209435998
  H   -7.94339031519233     -5.82933365066671      5.55348881599836
  H   -8.73246198015707     -5.77396868948218      3.95603262994275
  H   -6.86577447926917     -3.62205957951468      5.09508485262747
  H   -6.84194975029851     -2.51110579582366      3.03703371870848
  H   -8.53958338732922     -2.79468226335226      3.46919615698703
  H   -5.82610428954991     -3.52673033081158      1.09302390638210
  H   -6.09400715586682     -4.70110273703361     -1.06698622425209
  H   -10.69986123752657     -5.04485851715794     -3.28028519317420
  H   -13.00767250908020     -5.98462686154722     -3.37694571946843
  H   -13.47331347994916     -8.23807677323365     -2.42423595650623
  H   -11.63324197248012     -9.55373931765657     -1.38295570912864
  H   -9.32588528710083     -8.61111799075772     -1.29287664648041
  H   -10.17632544053302     -5.64708740103153     -0.02640361018970
  H   -9.90001059016873     -4.45869636682477      2.11578096117057
  H   -5.47133332640834     -6.34901315081679      7.07901189253109
  H   -5.59706490759739     -4.57540237686029      6.99446139501067
  H   -5.19259859999053     -5.36419607321226      8.53987619112877
  H   -3.04940070832713     -6.16102718616780      7.61854601336512
  H   -3.08564540580019     -4.08632593402495      8.78697460029394
  H   -3.53000227284788     -3.15525068919490      7.36402497118925
  H   -0.80590548078839     -5.73190129312819      8.04458740563673
  H   1.56518166168001     -5.32160336650290      7.53945182310857
  H   4.08072991480301     -3.39893884298338      8.94757382192203
  H   5.42549023994345     -5.29156304505802      9.85443274892878
  H   5.93284113404488     -7.25994114956769      8.41491105067396
  H   5.08946464530311     -7.33557777165086      6.06883029374868
  H   3.73940422064806     -5.45611534592722      5.17224512931923
  H   0.58135321527463     -1.34663057796988      6.17212626247477
  H   -1.80151054669014     -1.77288909689142      6.67140933924739
  N   -4.43609109824093     -2.88036425459017      5.02203262357239
  N   -4.62000372750397     -1.77644176986800      5.53870662116341
  H   -5.40252333987822     -1.77336190766102      6.22411089184149
