103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658514-hzeg/orca
  N   -3.21145241637325     -3.81676442791796      2.49597373756730
  C   -2.85204912437645     -4.83343048888860      1.50472201914888
  C   -2.57527372375555     -6.14482889679929      2.21671837724725
  N   -3.67875569494178     -6.44637627031689      3.16777058354524
  C   -4.89877091410658     -6.94970457263193      2.49426615609620
  C   -6.12201066633958     -6.72454916861158      3.37548989791848
  N   -6.01435196748299     -5.45106847290217      4.08862655076770
  Mo  -4.24342037993612     -4.53003081926455      4.07091884501928
  N   -3.01722228455235     -5.23335211875377      5.49348787384775
  C   -2.42841903296216     -6.55855600527350      5.28999475037022
  C   -3.23339995634433     -7.34072928324013      4.26236196341823
  H   -2.42816059514386     -7.14151647061604      6.22867349866016
  H   -1.36915119418395     -6.47830808566437      4.97778878232160
  H   -4.14052938697515     -7.74735648520518      4.72876152655385
  H   -2.65219647128755     -8.18697910268397      3.85402018629948
  H   -7.01088559397499     -6.74747214388364      2.71766307106934
  H   -6.24447431821231     -7.57221984487824      4.07656594454206
  H   -5.00082949117465     -6.39658900141349      1.55075112575388
  H   -4.79159108380344     -8.02307775962258      2.25096721511514
  H   -1.94542042630960     -4.55290565537480      0.93846388078986
  H   -3.65019505261014     -4.97115140347953      0.74583273839628
  H   -1.65751511331351     -6.04719663166668      2.81304377132665
  H   -2.43654264899203     -6.97612237928401      1.50286333406820
  C   -3.12786147444127     -0.61075244308691      0.37377439484269
  C   -2.94365929735046     -2.09284484985723      0.69421510866255
  C   -3.76408410483593     -2.58333671502610      1.90142202226229
  C   -5.29197365499805     -2.78727058998777      1.63464762818068
  N   -6.18546285906261     -1.76455808700489      2.14852844716735
  C   -6.42730776996161     -0.58964334688308      1.43223580905660
  C   -6.70732306697923     -0.62470323240041      0.05116030253813
  C   -6.96794044594417      0.55703096443090     -0.63777957698068
  C   -6.97415243447128      1.79187384522953      0.01186011333654
  C   -6.72676701482292      1.82747670388524      1.39226271033719
  S   -6.72769696607039      3.34567763618838      2.31044104392545
  C   -6.45670897806045      0.64855936571928      2.09452745849323
  C   -9.21089556110934     -5.82659466052947      6.28113822403547
  C   -8.10571101609716     -6.24630183272018      5.31119876067176
  C   -7.17617078092217     -5.07835295778881      4.94181638073068
  C   -7.96373305239512     -3.87732903309109      4.34828630532720
  N   -8.04701975119566     -2.79714291593124      5.33504675840556
  C   -8.31547233975454     -1.48841270744634      4.94332697403177
  C   -9.21833132385694     -1.17973310515574      3.90850361328847
  C   -9.48359212600619      0.15388402475243      3.60363039739108
  C   -8.87496874856659      1.20110569806670      4.29579865871515
  C   -7.94920229526217      0.89491868906221      5.30383880418363
  S   -7.02751755870124      2.14833337634307      6.15924559876232
  C   -7.65742815039165     -0.43464247822514      5.61479753076217
  C   -0.47435454350929     -5.69102365066107      7.79536931408916
  C   -1.12129055732919     -4.52241781348056      7.04509109752180
  C   -2.64152594568694     -4.56680922553889      6.76090672065397
  C   -3.46160052860218     -5.09100632711433      7.97123437506096
  N   -4.87612757293938     -5.14889369408250      7.53440440106100
  C   -5.64958858802829     -6.22510820110295      8.05259817879375
  C   -5.59135008630725     -7.52341226122603      7.51868258975756
  C   -6.40103280834168     -8.53215834790359      8.04215728212677
  C   -7.26494604638274     -8.27521284563318      9.10682600746305
  C   -7.31687967879323     -6.98554919270272      9.65566940407588
  S   -8.38934403280610     -6.55708029596019     10.99833437403527
  C   -6.51200457057903     -5.96866437604175      9.12374837394114
  H   -2.46783674675589     -0.31196811826347     -0.45363471126106
  H   -2.87933147081173      0.01324141286969      1.24549807284146
  H   -4.15887631577663     -0.37418585875693      0.08075136801250
  H   -1.88047922953624     -2.27599457629784      0.91965622682630
  H   -3.18765898585862     -2.69976388875542     -0.19348976564695
  H   -3.68735157381289     -1.80284791535649      2.67785873952340
  H   -5.55713281063247     -2.93697475283152      0.57729404246851
  H   -5.53667101572771     -3.76621022954619      2.10958888798655
  H   -6.06519135173991     -1.59737985582569      3.14753394450520
  H   -6.72080121448737     -1.57587851767129     -0.48132305433643
  H   -7.17676931955695      0.51677915707537     -1.70889364068692
  H   -7.17900791415632      2.70905413494404     -0.54137504403136
  H   -6.97659890165857      4.15005753892319      1.25104131806335
  H   -6.29626368665895      0.67902470503917      3.17366027500970
  H   -9.77663290639473     -6.70466611614902      6.62398212888711
  H   -9.91983173690710     -5.12521727506437      5.81983609238388
  H   -8.78839149077012     -5.33386549737892      7.16906164123483
  H   -8.55228349355798     -6.68047517377230      4.40196352213744
  H   -7.50642488763304     -7.03598490174071      5.78846042959184
  H   -6.74839480993468     -4.73701527051525      5.89952539165890
  H   -8.98001268168846     -4.18855858974487      4.05537661824431
  H   -7.45352711304660     -3.53585358598179      3.43360673992735
  H   -7.23632457456301     -2.81820156688474      5.95352365077614
  H   -9.70221933488667     -1.97969354488579      3.34810604482057
  H   -10.17944022218640      0.38762749186805      2.79513935019345
  H   -9.07838768559593      2.23669716879881      4.02473621182928
  H   -7.81278864269238      3.18691401726934      5.79317278520312
  H   -6.92146983701052     -0.69740721687271      6.37883290138365
  H   -0.61820381880223     -6.65878405545249      7.29701918608439
  H   -0.86734086563156     -5.78293433255141      8.81791713686060
  H   0.60972925609805     -5.52382252800029      7.87802004709685
  H   -0.94153082042733     -3.60735696506594      7.63256399180218
  H   -0.60906338303607     -4.35936466405645      6.08315884544304
  H   -2.94208808818084     -3.51983354917853      6.62524617671318
  H   -3.10185971929265     -6.07892695439227      8.31350064555507
  H   -3.33014968877615     -4.38242106572352      8.80593930423047
  H   -4.67956532371608     -5.28399663351330      6.52781261011608
  H   -4.91382412893058     -7.73735353118035      6.69116725412232
  H   -6.36083141736213     -9.53777421125179      7.61820572257244
  H   -7.89281975954843     -9.07173051677054      9.50913670124835
  H   -8.90295899413181     -7.79470142666034     11.18435249249703
  H   -6.55723913421957     -4.95301581541887      9.52150394076280
  N   -4.75683139915401     -2.93823331326583      5.07871729447396
  N   -5.07515249313533     -2.11314424073264      5.81852306632396
