111
Coordinates from ORCA-job /scratch/magstr/orcajob__5658568-tYNr/orca
  N   -3.06696078019564     -3.98435921879211      2.57346627127964
  C   -3.18351000599765     -4.73950883536391      1.31631497490279
  C   -2.86716888482673     -6.19094185489016      1.59099282474917
  N   -3.68937735865996     -6.64809454259270      2.73016647617120
  C   -5.04944947406124     -7.04133969743779      2.30350071724977
  C   -5.99324268577114     -6.80769556521959      3.45877485686669
  N   -5.83286852738037     -5.43120396002902      3.96239884963859
  Mo  -3.94861188927601     -4.82905352571234      4.16761512147262
  N   -2.85273295474250     -6.07615463776096      5.27298460468401
  C   -2.07307736197001     -7.04387234501647      4.48135736050855
  C   -3.00561228637292     -7.71510904409295      3.49785149328417
  H   -1.61862806541698     -7.81136167056985      5.11750853687059
  H   -1.24158949796667     -6.54589370178746      3.94987893297315
  H   -3.76280841573215     -8.28542253675744      4.05251728517770
  H   -2.47947020732514     -8.40280998490005      2.81445106731087
  H   -7.02012465369635     -6.98295318200221      3.10983148921399
  H   -5.80836561121363     -7.54004357187565      4.26532072008134
  H   -5.34249420471792     -6.40150971766622      1.46023779283011
  H   -5.06078236681780     -8.09056973248975      1.96280631831951
  H   -2.47091910145841     -4.39256744350539      0.56216111032067
  H   -4.18899436938259     -4.62933007089787      0.87103716713577
  H   -1.81011119375872     -6.27463127638524      1.87785437417373
  H   -3.03995095767348     -6.83040475415280      0.70846404140879
  C   0.50260862861268      0.95068906024834      1.16664438246697
  C   -0.30137888779394     -0.24397953773649      1.68601871303917
  C   -1.24057514496565     -0.92386638101255      0.66457576519335
  C   -2.36105273597918      0.04403185538994      0.24308783455124
  C   -0.44555061698182     -1.28271762228021     -0.60811254745865
  C   -1.81292763464454     -2.30202037673327      1.14477531152775
  C   -2.50961973871104     -2.55483879240083      2.51179754436927
  C   -1.47971207530689     -2.44454821526866      3.64550730913437
  C   -3.67300708747956     -1.56943002754267      2.69049641960336
  C   -6.63828412127512     -2.61462762599635      0.36314259057609
  C   -6.79000634734971     -3.61644773425316      1.50741203670556
  C   -8.13459142396205     -3.58904760114399      2.26442694571821
  C   -8.42028043951648     -2.18109240936524      2.81882603149527
  C   -9.28359091710675     -3.94641148602108      1.30093165873640
  C   -8.18528670171495     -4.68579203833648      3.36723034201246
  C   -7.12433608033712     -4.86704204422003      4.49666154064680
  C   -7.71129090882169     -5.86884364653258      5.51823522317304
  C   -6.90763670415812     -3.56033278115309      5.25216857584424
  C   -0.69773613790417     -2.65616741341535      9.82933035570676
  C   -1.31887035240419     -3.39939666500505      8.64549180268093
  C   -0.50153836725454     -4.58351509080676      8.07032709783336
  C   -0.28941126807600     -5.66282167574104      9.14085970545535
  C   0.88055673428934     -4.07425436353280      7.61816261771967
  C   -1.17449949983166     -5.12386074292225      6.77511416035140
  C   -2.46836802786227     -5.98798825483414      6.73115907576983
  C   -3.65265213681329     -5.41405193077436      7.51847080487921
  C   -2.23826653057953     -7.41233978923582      7.28497352634535
  H   -0.14592675365437      1.73876879672481      0.75805036895623
  H   1.08357198050594      1.39728166716427      1.98603721906011
  H   1.21411455651513      0.66006423118312      0.38194195833864
  H   0.40032713227628     -0.99813903534940      2.07894332684663
  H   -0.90271592066964      0.10151128233158      2.54187635301480
  H   -3.08591492741090     -0.46063740271144     -0.41356266870696
  H   -2.90863334482939      0.45981298848236      1.09779336853485
  H   -1.94260074474045      0.88901384797519     -0.32098791564090
  H   0.43039197409017     -1.90565872486940     -0.37015561464232
  H   -0.09416034790568     -0.38055526192387     -1.12554493495012
  H   -1.07856436027632     -1.84181023726829     -1.31403056332172
  H   -2.53154672659875     -2.55953884717631      0.35298089954190
  H   -0.98307447825522     -3.02618979033808      1.07319290503309
  H   -1.15444048978418     -1.41034345403600      3.79615788344261
  H   -0.59435979096561     -3.05458815093796      3.41657309040526
  H   -1.88588640099943     -2.81693005211595      4.59146182912977
  H   -4.31403777921080     -1.85478125196674      3.53073804229863
  H   -3.29949389507605     -0.55315644696867      2.87395407446557
  H   -4.30073784765963     -1.54436911028387      1.78999587247700
  H   -5.65629596853093     -2.73126430604392     -0.12020386819216
  H   -7.40176599344460     -2.74940847219911     -0.41564473622922
  H   -6.70332674187594     -1.57639622462612      0.71918993592570
  H   -5.97716297699141     -3.45286405670020      2.22985281381705
  H   -6.64467471002931     -4.63793978834771      1.11494893541346
  H   -8.66948409613483     -1.48937752413117      2.00207423674839
  H   -9.27958198886460     -2.20064215827343      3.50564164620691
  H   -7.56472846666873     -1.75484659380688      3.35800564819155
  H   -10.24106103446070     -3.99525853221957      1.84138207574719
  H   -9.11396672301380     -4.92486718345344      0.82531065841404
  H   -9.39253383322762     -3.19537496077018      0.50660372389627
  H   -8.28461663438206     -5.65126173815117      2.84578265433654
  H   -9.14549216823251     -4.55363068813660      3.89360388957283
  H   -6.95811632444053     -6.10745092467131      6.28309162697968
  H   -8.04378104567405     -6.80417452482158      5.04975054471047
  H   -8.58137008253149     -5.42185111390156      6.01803968493435
  H   -7.88446754435803     -3.14231615330311      5.52725700600762
  H   -6.34671823034759     -3.75024927084901      6.17765637178150
  H   -6.37699110774682     -2.81699088181311      4.64763484729494
  H   -0.51928541828703     -3.32375599903269     10.68439848831876
  H   0.25816736643089     -2.18097852218827      9.56942376853272
  H   -1.37436209603669     -1.86113914009232     10.17463827777374
  H   -1.49994039221755     -2.68378024102095      7.82424637829225
  H   -2.30878247359154     -3.76624068177598      8.95010864997849
  H   0.20087713895462     -6.55187373521678      8.71828481880280
  H   -1.23532986786169     -5.97757346858082      9.60348031532300
  H   0.35706220614986     -5.28330240732039      9.94468222281993
  H   1.47643224556189     -4.89636750269897      7.19416829796284
  H   1.44845144702592     -3.65343400796473      8.45865840475249
  H   0.78317113420466     -3.29327220719306      6.84728702018174
  H   -0.41009029842388     -5.71267076491590      6.23912587631910
  H   -1.37255404894980     -4.24411859627798      6.14236560353584
  H   -3.48662291563445     -5.54997172905755      8.59470604822405
  H   -3.80693480044013     -4.34857821763923      7.34034634163792
  H   -4.56972161895320     -5.95933515276158      7.24969627584381
  H   -3.03838566624448     -8.08802484129973      6.94778847313372
  H   -1.26736986208789     -7.83821149455683      7.00133740884104
  H   -2.26705652269430     -7.38879217389888      8.37922533616949
  N   -4.03906911118148     -3.43088079786136      5.22200196869853
  N   -3.99475083291148     -2.39522600724749      6.03757944073099
  H   -3.37010025249322     -1.64073824462627      5.73886141590683
  H   -4.91072914637108     -2.07247681794323      6.36267676767836
