110
Coordinates from ORCA-job /scratch/magstr/orcajob__5661761-xuwb/orca
  N   -3.23957321452278     -3.90796318417354      2.27607333446638
  C   -3.20684680448186     -4.91386607274472      1.20959082997985
  C   -2.84416863586752     -6.25967584225109      1.81069805514235
  N   -3.76316385426753     -6.53105114865367      2.94115400433870
  C   -5.06241428291055     -7.07918398157635      2.47528986526161
  C   -6.13518280303202     -6.63788195095691      3.44769131248911
  N   -6.06187832592764     -5.17363502596617      3.60243026880061
  Mo  -4.20531004368412     -4.52519602454731      3.91909268687807
  N   -3.22433342466182     -5.45743618903942      5.41726286691949
  C   -2.34192629341608     -6.52903966068274      4.93435302577550
  C   -3.13351124156929     -7.39503056240490      3.97028728732192
  H   -1.98199007146846     -7.17775894623569      5.74362978495198
  H   -1.43695330838031     -6.12670538869207      4.43738209111780
  H   -3.93694855694606     -7.89511371690861      4.52890682809061
  H   -2.50905031468785     -8.16864073272955      3.49091151881550
  H   -7.11333738244700     -6.96410892067569      3.07886173208819
  H   -5.99401217604871     -7.15287738925059      4.41646198647704
  H   -5.27517560587520     -6.65305038634984      1.48593396332627
  H   -5.00461321933520     -8.17703078949532      2.37891439980676
  H   -2.46451295316104     -4.67756247736402      0.43991519037025
  H   -4.18295628343787     -4.97549214206847      0.69263192973823
  H   -1.82098310073378     -6.20675640786439      2.20952234757709
  H   -2.89069457172475     -7.08048645637937      1.07276387275680
  C   1.36856112711802     -1.29198331777024      2.49658284517161
  N   0.07663580873424     -0.67362152253908      2.78005927170772
  C   -0.71738101836261     -1.40418580699330      3.76429940073253
  C   -1.34457268624729     -2.70561151440924      3.25328041958786
  C   -2.41995242303943     -2.65152635090209      2.12956985296016
  C   -1.69814885532751     -2.52014298695780      0.76716200079489
  C   -2.59502699037834     -2.25442748934580     -0.44950210666022
  C   -3.54754461568714     -1.08106471110729     -0.21137840764665
  C   -4.30764423918445     -1.27276701511919      1.10002037030400
  C   -3.33224891365663     -1.41398763042243      2.26708014711363
  C   -10.16187334057900     -6.24403167074834      5.96089331964229
  N   -8.77664239506360     -6.62136463312657      5.69224628811898
  C   -7.80560188125114     -5.60042744659599      6.09048399973309
  C   -7.79458629244445     -4.33706980142357      5.22665673557725
  C   -7.37306170682143     -4.44344947182785      3.73827347091233
  C   -8.49869227101591     -5.10775506821300      2.90905715987155
  C   -8.20070951133031     -5.21301225639945      1.40415532567214
  C   -7.40369993878047     -4.00077300217927      0.89095588706034
  C   -7.72909330688908     -2.78256961014641      1.75133477508896
  C   -7.22377957790424     -2.98953201155033      3.18662757938298
  C   -3.24783571526995     -0.52058712145547      8.54259825017229
  N   -2.79791581810040     -1.47664813099462      7.49621343610135
  C   -2.27176037828379     -2.78603249282748      8.02907948260778
  C   -2.13134329621427     -3.80539614287597      6.89419292874814
  C   -3.10966633882782     -5.02862749414766      6.84918618505533
  C   -2.53517718765049     -6.14711477507897      7.74859443988363
  C   -2.63937235649353     -5.85022904317461      9.24956208211278
  C   -4.08672491598358     -5.51899236387020      9.69015215076068
  C   -5.04699283178104     -5.55858933700049      8.50074699624992
  C   -4.54500487688315     -4.67621319718980      7.35882705107312
  H   1.95714739300743     -1.52452149091952      3.40935309735337
  H   1.96242441555968     -0.62208294797001      1.86097879769336
  H   1.22631516199398     -2.23179754315508      1.94344203846644
  H   0.22603641557661      0.27952312865363      3.11190925746333
  H   -0.10804888083435     -1.67258301048632      4.66122506096582
  H   -1.51851474490919     -0.73319898178648      4.11255659375511
  H   -0.55810913250171     -3.41151136251319      2.93586166322056
  H   -1.81442108009132     -3.17974085132872      4.12822703005187
  H   -1.04043865657124     -3.38782940437662      0.59469833313159
  H   -1.02431506610829     -1.65806040808996      0.89821285823466
  H   -1.95586715744972     -2.05824836536133     -1.32483093711649
  H   -3.19586064757397     -3.14246803526392     -0.70200562439859
  H   -4.24343398654309     -0.98098493035226     -1.05851499445917
  H   -2.97113162133224     -0.14070511960603     -0.15876871662985
  H   -4.98582773761756     -0.42509992998677      1.28372887008159
  H   -4.93714972052052     -2.17647098117198      1.04064740986414
  H   -3.87268601087596     -1.44482833186308      3.21901338757867
  H   -2.68679443257706     -0.52050493806240      2.28879618700791
  H   -10.32668167050767     -5.87137266799182      6.99417418095209
  H   -10.48181632088076     -5.45312824549818      5.26713396013089
  H   -10.81555296398964     -7.11104757471132      5.79615689137509
  H   -8.56602240204074     -7.47990909311561      6.20309686910423
  H   -7.97498661847755     -5.27007444030560      7.14099774425394
  H   -6.80848191811036     -6.06457389593241      6.06872267521597
  H   -7.10543764694544     -3.62682288339673      5.71229419998370
  H   -8.78547706457535     -3.85465266609452      5.26245070645131
  H   -8.78757626657583     -6.07387305035741      3.34119289605760
  H   -9.37523133553175     -4.45560877594388      3.05184900329232
  H   -9.16171307744359     -5.27748597741670      0.86966038674105
  H   -7.66469043440935     -6.14588887538282      1.17073003849162
  H   -7.62294649262108     -3.81296965249382     -0.17066976358150
  H   -6.32250832558892     -4.20383688103853      0.96572906923762
  H   -8.81958359167618     -2.61615467475108      1.74323407946032
  H   -7.27701249389243     -1.86942918119265      1.33657862383275
  H   -6.16181319624997     -2.71955562387268      3.22883414971760
  H   -7.74637811689109     -2.29799084625447      3.86514484215273
  H   -4.08080183265356     -0.97694395521855      9.08825331324732
  H   -3.58304200673507      0.40335431169175      8.05875899568826
  H   -2.42022930013588     -0.31002514755510      9.22940595962448
  H   -2.06086248727483     -1.04221569454855      6.92348716315060
  H   -2.98018184718038     -3.10344603655451      8.80258384201002
  H   -1.31517824557372     -2.56317273967057      8.51945699774376
  H   -2.26497787432511     -3.27371923789144      5.94399544404089
  H   -1.10118083983609     -4.18977684289120      6.87594487813965
  H   -1.47913837054505     -6.32478255900993      7.49787629577520
  H   -3.07469721270981     -7.08316133791379      7.53465587229861
  H   -2.26497055283046     -6.72795043041910      9.79583621822033
  H   -1.95252789657973     -5.03104857764917      9.51543602864803
  H   -4.42136152926426     -6.21487214176045     10.47271692712807
  H   -4.12767427299278     -4.51417645343567     10.14458916043107
  H   -6.04923958755983     -5.22156130811922      8.80526789688901
  H   -5.17092032650118     -6.59522821755300      8.14725899782829
  H   -4.61073056927935     -3.62665634255760      7.68523119150507
  H   -5.22975398719314     -4.75418815323974      6.50839824804281
  N   -4.54574215201027     -2.91352024611241      4.88423964162533
  N   -4.73180745876223     -1.96479676764941      5.54189011817878
  H   -3.59684501209221     -1.66621879914680      6.79790642426789
