92
Coordinates from ORCA-job /scratch/magstr/orcajob__5661741-bncj/orca
  N   -2.60881469250720     -3.45164666428517      2.74160794944947
  C   -2.15691950887272     -4.30378400684666      1.64216920113685
  C   -1.87155496705526     -5.70255269320951      2.17066736583214
  N   -2.94797589825399     -6.11128359096105      3.09966145249129
  C   -4.21186216197565     -6.47715431561108      2.41019494864811
  C   -5.38716101290845     -6.32750089823840      3.37576906594719
  N   -5.26424353789981     -5.04750205475314      4.07672657178526
  Mo  -3.43515526390757     -4.31342790097315      4.32626138056838
  N   -2.21146651529475     -5.25948319420732      5.58143444428878
  C   -1.62710744355352     -6.52822864927575      5.14701664147343
  C   -2.50121604508084     -7.14381166441567      4.06124936394094
  H   -1.56572248439024     -7.26414744116379      5.97012679548494
  H   -0.58833643283909     -6.39593309096060      4.77721264490486
  H   -3.40595992008394     -7.55574902337921      4.52798274662134
  H   -1.97538173737544     -7.96641492234705      3.54109307313918
  H   -6.31803054260062     -6.39171567410649      2.79269174990187
  H   -5.41795067419334     -7.18240458080045      4.07698926227520
  H   -4.34019281666459     -5.76654997781731      1.58076887735193
  H   -4.15268450983756     -7.49879150780276      1.99145785833335
  H   -1.23345972500341     -3.93007697896177      1.16738283700257
  H   -2.91389885868229     -4.35107265471855      0.83852838011557
  H   -0.93663035607373     -5.68706479604607      2.75006428230106
  H   -1.75772601550855     -6.43474428775027      1.35023465282869
  C   -0.08315556596208     -1.94417194430327      2.55851231394955
  N   -1.33136248166708     -1.34518599584150      3.02738794125502
  C   -2.56560676778994     -1.99505615668805      2.55458692456603
  C   -2.89463742249594     -1.54953985792437      1.10903324038449
  C   -4.23874819104363     -2.03446680580919      0.61304480236187
  C   -5.42049779757694     -1.75664328844361      1.31768399669271
  C   -6.65796092501422     -2.18943799184655      0.83020657413264
  C   -6.73468164037435     -2.91640180912797     -0.35626585497239
  C   -5.56914895770637     -3.19595179003917     -1.07063507360342
  C   -4.33672620352020     -2.75298920033034     -0.59033270211788
  C   -7.01562645058088     -6.34864953783615      6.20500599841349
  N   -6.78353375775348     -4.92121439762455      6.00471229886158
  C   -6.47380263021740     -4.44289410360168      4.66404917844105
  C   -7.70042034618642     -4.45410981752593      3.72180299099075
  C   -8.77896639093352     -3.51275664604034      4.18869202536748
  C   -10.04096005372218     -3.97500521311126      4.59639014347245
  C   -11.02693805124731     -3.08795372907694      5.03226090627617
  C   -10.76441763146529     -1.71489051604853      5.07343324675299
  C   -9.50927793104118     -1.24298820902891      4.67798821965168
  C   -8.52972272433524     -2.13668140212248      4.23952558772566
  C   -3.70224509113867     -6.30344275671391      7.86357805088077
  N   -3.11745815145151     -4.96319455617128      7.84964795048885
  C   -1.96627808345039     -4.78579215116712      6.95569090893503
  C   -0.67261631255654     -5.34935801902661      7.59158911577241
  C   -0.17959592703024     -4.51126570613591      8.74301748125812
  C   -0.61584351230056     -4.74480664083599     10.05418600442221
  C   -0.18525844335761     -3.93451070431625     11.10623258303493
  C   0.69084078861185     -2.87169608926368     10.86774605288729
  C   1.13467186249963     -2.62843121847306      9.56644566202945
  C   0.70138238524233     -3.44397520706098      8.51786966184195
  H   0.01840286984740     -3.01457755880116      2.82424484709409
  H   0.76617244759789     -1.40147073505390      3.00465495554592
  H   0.00591005959296     -1.84507494306465      1.46588166744562
  H   -1.35296831744588     -1.39912552054159      4.05090496370575
  H   -3.35453452596642     -1.59047550039790      3.20668165749621
  H   -2.10795528576219     -1.87599238427640      0.41284126004291
  H   -2.86599065003022     -0.44994373301141      1.11252677284133
  H   -5.37203595494205     -1.18216163289401      2.24598129618102
  H   -7.56614611611744     -1.94523105312141      1.37956168012826
  H   -7.70397580004306     -3.25458154941091     -0.72794319499698
  H   -5.61909369102681     -3.75412655567750     -2.00355299896135
  H   -3.42290602106219     -2.96418572661562     -1.15641553659130
  H   -7.30325835457164     -6.52256581564984      7.25279014486556
  H   -7.84921468496081     -6.68370732855379      5.57395829598907
  H   -6.13962232342606     -6.99444669049590      5.98537719220140
  H   -6.01266730468706     -4.62626622340465      6.60592932132537
  H   -6.23088283617721     -3.38291321811400      4.83067360464951
  H   -7.33536879795478     -4.14626652990096      2.72018967283722
  H   -8.11514392923351     -5.46477711531540      3.62920176038264
  H   -10.24988809284103     -5.04599927048719      4.56895194173205
  H   -12.00119923707391     -3.47009882926771      5.34265072672280
  H   -11.53080513140693     -1.01646262766033      5.41373210599499
  H   -9.29402380035087     -0.17352991975684      4.70779961456098
  H   -7.55224029018572     -1.76126745260028      3.94381648144314
  H   -2.99145740037242     -7.02932720301881      8.28323666969371
  H   -4.00720051505332     -6.67400613579701      6.86511312243804
  H   -4.59113718106785     -6.30447133827754      8.51257761806534
  H   -3.83060429109811     -4.29801962973761      7.51805056072888
  H   -1.81898793554092     -3.69671123927807      6.89797931620757
  H   0.09812431965846     -5.37536534567511      6.80595608233158
  H   -0.83630646705432     -6.38626832223615      7.92818804000362
  H   -1.30987789764749     -5.56300390115728     10.24601787168355
  H   -0.53854539459302     -4.13222174344979     12.12132096732555
  H   1.02763005200973     -2.23859350788141     11.69168295232787
  H   1.82202141373311     -1.80398901135336      9.36794732687162
  H   1.05449021811048     -3.25146288257812      7.50488691055950
  N   -3.87928544139716     -2.74682069429604      5.60472228568489
  H   -3.19297223387925     -2.28035550174931      6.20498757812357
  H   -4.64443295145056     -2.08252359927240      5.46194668934102
