125
Coordinates from ORCA-job /scratch/magstr/orcajob__5655518-26sb/orca
  N   -3.29766158871468     -3.46871520848665      2.11809086823526
  C   -2.89817623034928     -4.47169559763442      1.13013309765931
  C   -2.62432663749489     -5.80432902689873      1.81343093019110
  N   -3.63740719959808     -6.07390092908849      2.85906620551329
  C   -4.94315473627818     -6.50255646314697      2.30676817548586
  C   -6.06126791540793     -6.16564385336276      3.28589163274822
  N   -5.86311278665440     -4.81896330388626      3.82505694276652
  Mo  -4.02368165627105     -4.08891743757027      3.86639022166305
  N   -2.82651612197707     -4.92222639250795      5.22199461067468
  C   -2.20245446728924     -6.19862538958530      4.85034890532323
  C   -3.12794518997496     -6.97500461620573      3.92083170368134
  H   -1.99676765187217     -6.82239903005698      5.73406539552204
  H   -1.22169778278331     -6.03668998061270      4.36800347954035
  H   -3.99571242055764     -7.32876780088837      4.49491283159904
  H   -2.62169906502379     -7.85264320796839      3.47726955975438
  H   -7.02136949820031     -6.24869363852194      2.74548027044100
  H   -6.10193040651324     -6.91963520784547      4.09711389078268
  H   -5.09954222763213     -5.93804111281429      1.37663313498218
  H   -4.93112294762951     -7.58019512781084      2.05917489864885
  H   -1.97237437735903     -4.17748283565064      0.60741721817365
  H   -3.67319428343959     -4.59214702018279      0.34654924125004
  H   -1.65011304890734     -5.74786273215160      2.31672827089369
  H   -2.58757923126959     -6.63159219592751      1.08073987857094
  C   -3.28791368565772     -1.80058706602459      0.23008740080136
  C   -3.12799168592367     -2.05951593295354      1.73025339858124
  C   -1.79470148994343     -1.47641233707701      2.28801746579613
  C   -0.57099835977123     -2.26296608494352      1.91487860798728
  C   -0.18910838949584     -3.37282676669625      2.68613292501627
  C   0.90465056547609     -4.15673551947867      2.32887620842342
  C   1.67361363508335     -3.85107295592376      1.19717985724275
  C   2.87028456569577     -4.70203951138803      0.82718511596471
  C   3.77729457232879     -5.02987880185582      1.99444436823076
  C   4.27065242096136     -4.00965340655973      2.82200257095916
  C   5.11298186297867     -4.30300084641904      3.89453215088574
  C   5.47704619852320     -5.62579816263340      4.16406877739165
  C   4.98872639355847     -6.64902193796735      3.35079048969901
  C   4.14464839486082     -6.35145795246834      2.27648110829531
  C   1.30828431597037     -2.73402505911892      0.43690585818019
  C   0.20098196382452     -1.95586943426036      0.78665778574321
  C   -7.89036407666099     -5.02822374587141      5.28223007869353
  C   -7.06895880470352     -4.15574926039960      4.32978468578205
  C   -7.92543885359365     -3.60350927532545      3.15951670368812
  C   -9.00013567742645     -2.65833519002489      3.62201414826664
  C   -10.35579194463099     -3.01763056769811      3.61232330140110
  C   -11.33697551431238     -2.14568058139006      4.08198656181945
  C   -10.99555648669522     -0.88038382466401      4.57936540089718
  C   -12.06170031807510      0.05276842340746      5.10804387508591
  C   -12.75834312538580     -0.46817388211416      6.34932214887130
  C   -14.15522599514817     -0.53389597498684      6.41719807668138
  C   -14.79725283669262     -1.00292098674624      7.56696918009030
  C   -14.04605679315995     -1.41490730620752      8.66876364662960
  C   -12.64996704960614     -1.35662833359457      8.61105890209254
  C   -12.01379476926019     -0.89031361642993      7.46093511622665
  C   -9.64266601952855     -0.51945069757422      4.59054642603824
  C   -8.66049018916395     -1.39200432729861      4.11946813257935
  C   -3.27836177128379     -5.47182182317170      7.60915322423641
  C   -2.66388684869297     -4.47939484493280      6.61343654826319
  C   -1.21960663258804     -4.03674040804837      6.99214891946357
  C   -0.11369408604169     -5.05647830015490      6.89868042100103
  C   0.00093094768128     -6.12547733913516      7.79995153857153
  C   1.00747764283112     -7.08296954253449      7.65570794734799
  C   1.94348623626366     -7.00230715080742      6.61736760735455
  C   3.03371710188359     -8.03182657818792      6.46793009446599
  C   4.41465534327404     -7.59674641268291      6.92827912477646
  C   5.52950199648226     -8.37203589427208      6.57450647086521
  C   6.81526132593509     -8.00527855245036      6.97000484088143
  C   7.01061939703042     -6.84963419404006      7.73330043121213
  C   5.90811784709523     -6.07527958316781      8.09751696902806
  C   4.62077304612604     -6.44692399840373      7.69825349622314
  C   1.85873902984721     -5.91161354885219      5.74030973955433
  C   0.85168562454942     -4.95916729684807      5.88495036577136
  H   -4.24508141981918     -2.19774528634308     -0.13743961880098
  H   -2.47817563864656     -2.24854342275042     -0.36242239213692
  H   -3.27737917591438     -0.71724065557290      0.04335863262636
  H   -3.92600314204674     -1.49684977753987      2.23903682507971
  H   -1.70205908894031     -0.43357288314502      1.94380447601996
  H   -1.89288497155541     -1.45789131048046      3.38416201369720
  H   -0.77403639524828     -3.62286821476630      3.57406301207608
  H   1.18520223473163     -5.00901496952798      2.95181759736517
  H   3.44796096692264     -4.17947264334548      0.04675412371013
  H   2.52787718752302     -5.64633102425041      0.37144223272242
  H   3.97834528254234     -2.97520373323603      2.62686981861594
  H   5.48256022136577     -3.49637435995836      4.53057200067230
  H   6.12229666636195     -5.85939505121230      5.01186724899637
  H   5.25954150294658     -7.68553570893862      3.56043247825700
  H   3.76088203845793     -7.15788139036551      1.64618812617080
  H   1.90461436503837     -2.46335557731153     -0.43839290197746
  H   -0.05918341234698     -1.08578646470317      0.17860773869038
  H   -7.25818170123694     -5.40185172171580      6.10091494462887
  H   -8.70944353577299     -4.44027861870961      5.71926322637313
  H   -8.33880129117045     -5.89165209152107      4.76759811714018
  H   -6.71759032055798     -3.28326588989869      4.89866138583325
  H   -7.23315487119915     -3.08262090214384      2.47895808099660
  H   -8.37537852948114     -4.43832211910890      2.59812579683414
  H   -10.64353354688182     -4.00004561675306      3.22910115737861
  H   -12.38584588145963     -2.45285382405194      4.07046707483482
  H   -11.60012376934965      1.02856895259593      5.33191107421125
  H   -12.81930779148746      0.23705713703192      4.32970565960133
  H   -14.74696478234656     -0.21342239587874      5.55594935763132
  H   -15.88759276155825     -1.04875439404161      7.59908562646335
  H   -14.54401745700036     -1.78307441484810      9.56742896312889
  H   -12.05393926256955     -1.67932590944997      9.46696119228244
  H   -10.92258069681713     -0.86030883754202      7.41629267099664
  H   -9.35541049402013      0.46269573315952      4.97466243343548
  H   -7.61010983324536     -1.08945481397876      4.14600466668184
  H   -4.33545613289842     -5.63621999644704      7.35522254493398
  H   -2.77223686169821     -6.44732879508556      7.61074840043282
  H   -3.22617994118101     -5.07099635291873      8.63230357802270
  H   -3.25416317834810     -3.55513205133056      6.68919044327038
  H   -0.96665429173266     -3.18267949072474      6.34551038841295
  H   -1.27579949032815     -3.64900055228228      8.02357181326649
  H   -0.70322943223394     -6.21305866647355      8.62952269181322
  H   1.07048504803478     -7.90990657884187      8.36809403424016
  H   3.11066369380140     -8.33288318534441      5.40978160391235
  H   2.75055537049967     -8.94250151330737      7.02241203695585
  H   5.38414899499353     -9.27093344340344      5.96928696374313
  H   7.66964991800581     -8.61835620806180      6.67654533033214
  H   8.01621727008877     -6.55574338186202      8.03886497012938
  H   6.04804059874467     -5.17080213821169      8.69274551290435
  H   3.76685783107020     -5.82698127048433      7.97639404462737
  H   2.59708309706839     -5.80267009862489      4.94142765559013
  H   0.80769203397130     -4.11602150358007      5.19291124996706
  N   -4.36878845132282     -2.51661701239268      4.65237637168071
  N   -4.63469633069905     -1.47715312301492      5.29981216741658
  H   -4.67248899467382     -0.64325293812205      4.68642678095059
