111
Coordinates from ORCA-job /scratch/magstr/orcajob__5658563-JlIq/orca
  N   -3.34118260925066     -3.63794765311777      2.40496746187081
  C   -3.43286952764172     -4.41569841089322      1.17011145544532
  C   -2.91301635625699     -5.81994303110769      1.44816472192486
  N   -3.66870970259192     -6.38141574083689      2.59557808894481
  C   -4.93916737097937     -6.97802706011221      2.12545008372545
  C   -5.94163520989532     -6.99684349871575      3.25623604710160
  N   -6.01595697750920     -5.67421162631692      3.89369137850495
  Mo  -4.21395351066433     -4.70665798512443      3.92742535146012
  N   -2.87098136527385     -5.61940099665705      5.10329728520423
  C   -2.01494651222431     -6.57482712635034      4.37046592195171
  C   -2.85656304857659     -7.34948486511624      3.37639217207389
  H   -1.51930441372176     -7.30909905954628      5.02809793385896
  H   -1.19763921460786     -6.04794629541841      3.83682792350464
  H   -3.55017905140886     -8.00164341667889      3.92593416182556
  H   -2.24461497529468     -7.97826936331161      2.70272154381955
  H   -6.90811491350139     -7.31019676339421      2.82157691442637
  H   -5.67272148421531     -7.79089417034120      3.98363028702462
  H   -5.32029948140386     -6.33571043623976      1.31934199557290
  H   -4.76512528574788     -7.99152059702716      1.71310604776184
  H   -2.84944617717640     -4.00928079570378      0.33236386153756
  H   -4.47558591700032     -4.47119885409103      0.79842649767345
  H   -1.85469708435139     -5.75081534361452      1.73539191254398
  H   -2.99966464631166     -6.49383004854588      0.57402588053876
  C   1.30227308718478      0.44920224488849      1.76693685605072
  C   0.21932040935152     -0.58531462861693      2.08418189805059
  C   -0.66603219048881     -1.02899601552672      0.89799078159059
  C   -1.46790418620434      0.16755124206281      0.35476959428007
  C   0.23096505632333     -1.53685068526963     -0.24991000429964
  C   -1.59089171122978     -2.24515326159603      1.23200136538738
  C   -2.57273694145238     -2.34432497607741      2.43493753608571
  C   -1.77361267118823     -2.35364802495596      3.75628679281293
  C   -3.56817220732782     -1.16841099813507      2.40013699880685
  C   -7.23482599924434     -2.39371740807808      0.94005854847271
  C   -7.23334336106905     -3.59198939656045      1.88881877961798
  C   -8.59590960370565     -4.00212878488681      2.48752004936447
  C   -9.24518722750360     -2.82313348005230      3.23816752183519
  C   -9.56063767215279     -4.40345269502310      1.35420203126752
  C   -8.46661793890100     -5.26456773383548      3.39135840003461
  C   -7.36495969746386     -5.44643676129290      4.48401854916665
  C   -7.78602934458070     -6.66745575306078      5.34031784789887
  C   -7.35027894348941     -4.25892906127671      5.44076221813719
  C   0.11977687499267     -2.37385901872678      9.25569429360979
  C   -0.64426997646452     -3.09838519062604      8.14517236928714
  C   -0.27738969030144     -4.58662945867588      7.90932209605272
  C   -0.55908286027558     -5.42009983124032      9.16751514260084
  C   1.22877565742147     -4.68607365543917      7.59763915570735
  C   -0.99846719688746     -5.13143556800654      6.63879896925345
  C   -2.50494589951712     -5.53463846029846      6.55482057474785
  C   -3.42336960732900     -4.51974586536851      7.22746454613366
  C   -2.78140975606545     -6.89860592166356      7.22573475491050
  H   0.87743076738961      1.36770897084483      1.33651260081787
  H   1.83389607288092      0.73411677711294      2.68655655783696
  H   2.05231499214091      0.06451946425899      1.06172312048564
  H   0.69608883371087     -1.47918658361486      2.51941279416011
  H   -0.42919700140471     -0.16936938366347      2.86920565854542
  H   -2.18651360169023     -0.16234486709958     -0.41074093572454
  H   -2.02874594940977      0.68926042732492      1.14115223001736
  H   -0.79772552851927      0.90087686241265     -0.11681776357996
  H   0.89811691888658     -2.34255105111765      0.09402672576409
  H   0.85183478725883     -0.72958007228310     -0.66249148327456
  H   -0.38400203960758     -1.93524207513558     -1.07141710320140
  H   -2.18451031362184     -2.36526228221161      0.31321273160556
  H   -0.93713857542019     -3.13327955697937      1.29669022648506
  H   -1.49735169379694     -1.34787955833053      4.09924178427789
  H   -0.85414099963494     -2.94462570204603      3.63881696811648
  H   -2.34640499600857     -2.85702812876035      4.54564316370016
  H   -4.37663427915555     -1.32629221862727      3.12194879277707
  H   -3.08800096498680     -0.20659542854160      2.63195163072114
  H   -4.03361448305603     -1.09082658527081      1.40669886373407
  H   -6.21216653283705     -2.19880500012558      0.58441558423370
  H   -7.86603461422379     -2.55942311514975      0.05481164542199
  H   -7.58740308350855     -1.47649623493072      1.43476616867300
  H   -6.52815133431956     -3.39576164911346      2.71203445949074
  H   -6.81351623428153     -4.46735933126312      1.36622106205100
  H   -9.54911145452924     -2.03449320129018      2.53451840991634
  H   -10.14968473969943     -3.15828847280215      3.76857183372317
  H   -8.57396924006205     -2.36534490211966      3.97592225096229
  H   -10.51331707443534     -4.76761091961037      1.76933347508401
  H   -9.13010398940182     -5.20865410487579      0.73899775462966
  H   -9.78940455841143     -3.55309564287379      0.69574902189800
  H   -8.38252081964897     -6.12970183245905      2.71233156173355
  H   -9.44331126602354     -5.39091049043427      3.89169365585224
  H   -6.99214261351070     -6.90059581198847      6.06595533100174
  H   -7.97034818023169     -7.56370320257938      4.73278568051664
  H   -8.71075258705354     -6.44734274345700      5.89443212685498
  H   -8.34844977462224     -4.11654971735054      5.87884619705262
  H   -6.63940496527602     -4.44761295719180      6.25926982819778
  H   -7.07671024197636     -3.33222874160744      4.93261283973792
  H   -0.01185021214741     -2.86525317565299     10.23087083325789
  H   1.19828633250187     -2.31612253374606      9.05261886858589
  H   -0.24848331591440     -1.34250492837329      9.35876663831628
  H   -0.49182404479284     -2.56052685493836      7.19280617629428
  H   -1.71778060821276     -3.02664526950437      8.36614443004787
  H   -0.36862084914744     -6.48742218870874      8.98232579530673
  H   -1.59915651449622     -5.31424123723545      9.50666163923382
  H   0.09375775186622     -5.10688077004301      9.99546399204311
  H   1.51658568854249     -5.73366053212364      7.42221307681741
  H   1.84250965321387     -4.30685943424526      8.42690764782162
  H   1.48307084309913     -4.11031297902883      6.69351681409159
  H   -0.42418619305542     -6.01592362480009      6.31985973716479
  H   -0.84298395460204     -4.37579346010414      5.84996425696152
  H   -3.30156245126149     -4.54635174951103      8.31885109468849
  H   -3.21358135161155     -3.50056944569667      6.88551621712407
  H   -4.46750075370775     -4.77379891974550      6.98894112438226
  H   -3.81940610294016     -7.19560361819200      7.01138376441023
  H   -2.11533127830084     -7.69047111891947      6.85572689262376
  H   -2.65416872503350     -6.84829142430272      8.31488755016152
  N   -4.75147469327892     -2.76184579994572      5.09793058188201
  H   -5.12316281697279     -2.95398283663123      6.03111655472274
  H   -5.45855208527569     -2.19430638467740      4.62237775689268
  H   -3.94810752719944     -2.14043036532303      5.23564851171265
