111
Coordinates from ORCA-job /scratch/magstr/orcajob__5661759-zKrs/orca
  N   -3.28822879108994     -3.75622839694247      2.38058047908816
  C   -3.27590955183145     -4.76988208695340      1.31888984771532
  C   -2.82318980771721     -6.09582980217237      1.89774387942443
  N   -3.62464823970940     -6.40053463143262      3.11143576799336
  C   -4.90332200638374     -7.08299813430018      2.77704827753459
  C   -5.95685078269764     -6.66207898375835      3.78690786483748
  N   -5.98206874819159     -5.19022517301830      3.85183815180395
  Mo  -4.16599540525803     -4.42670075575698      4.06219359121863
  N   -3.08147913464099     -5.22266829622613      5.53490227779608
  C   -2.07321327417730     -6.12524687052154      4.95223556029150
  C   -2.81192960993132     -7.15452108327453      4.10690292032846
  H   -1.46309088199536     -6.62708540699256      5.71630540950787
  H   -1.36268779709389     -5.56455527840728      4.31977737091152
  H   -3.49441398730839     -7.72488879148076      4.74939347993059
  H   -2.14006975332346     -7.85911246176777      3.58805509267336
  H   -6.93114069717253     -7.07494664699881      3.49759809212916
  H   -5.72139829324042     -7.10429056660440      4.77250418032686
  H   -5.20812046170957     -6.75042441660224      1.77571986009434
  H   -4.75757327710206     -8.17608093564871      2.75160683685518
  H   -2.57934350765261     -4.51415355060773      0.51443231855819
  H   -4.27106459668380     -4.87457224977695      0.84577377413891
  H   -1.77187227025861     -6.00487792965610      2.20359535663645
  H   -2.90149776274258     -6.92416781125305      1.17262313434636
  C   1.02456718507599     -0.71399509822502      2.60577172635444
  N   -0.33114558522780     -0.17957828637506      2.69976737764775
  C   -1.14723070207950     -0.83825362099949      3.71639335344658
  C   -1.64301735658341     -2.24332431217412      3.34857780019088
  C   -2.60082411694414     -2.43927237700054      2.13755477348131
  C   -1.72639488703952     -2.39444614038752      0.85494997859442
  C   -2.43969347679886     -2.24130075857006     -0.49701314776530
  C   -3.48111570958320     -1.12263780786832     -0.46726908591177
  C   -4.42488440809423     -1.32121039988771      0.71653089586679
  C   -3.64031101028380     -1.30112236132725      2.02791905989142
  C   -10.20013954378227     -6.36046903139039      5.91735310847331
  N   -8.78716745614021     -6.69159942195482      5.74538311629919
  C   -7.88130437767505     -5.63367017117719      6.19406994974553
  C   -7.85198966278031     -4.38418869308606      5.31097625648315
  C   -7.31495692539704     -4.50547063908645      3.86016022063198
  C   -8.36002217399921     -5.22391164479941      2.97861707631821
  C   -7.98344337704352     -5.31901886456621      1.49559543532656
  C   -7.34437154158622     -4.01533062700075      0.97507894327033
  C   -7.71289709459252     -2.84393104578268      1.88263807418337
  C   -7.13735687361083     -3.05963994487704      3.28691855650567
  C   -2.18471835794800     -0.83093815041538      7.42060409388464
  N   -2.17933918307064     -2.22544893264187      6.96553950048347
  C   -1.95135823465967     -3.16150408253514      8.07465586647230
  C   -1.91422253369496     -4.62809486118278      7.65901288987917
  C   -3.19502210115847     -5.26574221797404      7.02513655836930
  C   -3.32089659052378     -6.73855368456003      7.50412558133333
  C   -3.41618923099837     -6.88643205682475      9.03625838222812
  C   -4.17229536542524     -5.72082323821449      9.69733303980995
  C   -5.18940881692680     -5.15090223404090      8.71403549538991
  C   -4.51351956324199     -4.56852864210141      7.45618766704077
  H   1.54586723223017     -0.76661221894599      3.58473768802702
  H   1.61879809676888     -0.08704368260810      1.92813940710281
  H   1.00330560335076     -1.72951296941554      2.18341419561274
  H   -0.28476778503358      0.81810356509770      2.90817379699322
  H   -0.58710591986035     -0.93684616106643      4.67601457324979
  H   -2.00927669813956     -0.18719275595632      3.92674438769617
  H   -0.78479176698016     -2.91860248879187      3.19315719178174
  H   -2.14821207235556     -2.63307399910467      4.24647694163955
  H   -1.03952174334683     -3.25713172649071      0.84891288031240
  H   -1.09354194686920     -1.50409514507186      0.99517691003690
  H   -1.68038016830740     -2.03858258783667     -1.26858371441218
  H   -2.94344600254265     -3.17139483056476     -0.80398113828467
  H   -4.04006724441087     -1.09805146483833     -1.41502033436426
  H   -2.97779938974676     -0.14536381662670     -0.36598599635758
  H   -5.19490350550697     -0.53461676420956      0.73550697058815
  H   -4.95447285854087     -2.28323582595053      0.61372204343354
  H   -4.34422486679320     -1.34622635003493      2.87112443239441
  H   -3.11486094926175     -0.33509907612329      2.09779970021777
  H   -10.44325066306236     -5.97787914179310      6.93072506082622
  H   -10.50200499633276     -5.59325515091211      5.18955085815263
  H   -10.81023402185435     -7.25329892486267      5.72672093233155
  H   -8.58080423639026     -7.53658222978043      6.27996966346275
  H   -8.12921138345949     -5.29379982466481      7.22489307657814
  H   -6.86895060695953     -6.06033647283266      6.24201327238679
  H   -7.22481201827551     -3.64721967117491      5.84146185387681
  H   -8.85660298640128     -3.93184516740856      5.26621740087593
  H   -8.61223898461160     -6.20485396886134      3.40058063662879
  H   -9.28116693526363     -4.62763939849908      3.07642769055071
  H   -8.89761321538331     -5.54596462674489      0.92562198906600
  H   -7.30451576294676     -6.16765384332875      1.32326171357399
  H   -7.64658998926526     -3.82009183397830     -0.06404803283983
  H   -6.24636297668348     -4.11157519315495      0.96996109319834
  H   -8.80909766613758     -2.73579117293620      1.92648066907056
  H   -7.32808878185838     -1.89677949323327      1.47605503057705
  H   -6.05790728176658     -2.84364705898535      3.23668202684831
  H   -7.57238829490206     -2.32878279502429      3.98664578902763
  H   -3.05061017079618     -0.66985666379144      8.07952698458151
  H   -2.28148612790094     -0.15905383931501      6.55721443633447
  H   -1.27328561143931     -0.55266711002197      7.98202361715797
  H   -1.42114127726482     -2.34616714094766      6.28742004641509
  H   -2.74876955393463     -2.99353459177829      8.81670166857876
  H   -1.00145866567805     -2.92712076080724      8.59715741710641
  H   -1.07794639167521     -4.78005789263985      6.95728544276594
  H   -1.63694293877329     -5.19080857635703      8.56231371283193
  H   -2.48191937227557     -7.35171093370666      7.14858295413754
  H   -4.22815045796548     -7.14969405355451      7.03173795619642
  H   -3.93305976328450     -7.83419264719278      9.25268778879920
  H   -2.41205968493348     -6.98528076927080      9.47523902823468
  H   -4.66733095926849     -6.05923148435862     10.61902691565989
  H   -3.47066698395422     -4.92695834754784      9.99984558213212
  H   -5.80461407758723     -4.37191690636391      9.18856117294678
  H   -5.88630595877880     -5.95386214655754      8.42466682645221
  H   -4.34109956816602     -3.49642720888634      7.60598306734738
  H   -5.21473675263545     -4.66194724300922      6.61224897203809
  N   -4.48991310636043     -2.51641268598155      5.19587707589352
  H   -5.36700965411590     -2.51775984595702      5.72357058571129
  H   -4.50414047218377     -1.67091084563055      4.61903994502179
  H   -3.69827895440121     -2.41046743242841      5.89090607573023
