95
Coordinates from ORCA-job /scratch/magstr/orcajob__5661738-od3Z/orca
  N   -2.65368753107966     -3.80928554425529      2.54889442022909
  C   -2.44663879283692     -4.74926221950156      1.44853112354838
  C   -2.25802391851430     -6.15427968009739      2.01894157127000
  N   -3.27447440867189     -6.42214738615862      3.08193190009920
  C   -4.51988962301112     -7.01883968952322      2.52763968783580
  C   -5.65882092190001     -6.87597932334951      3.53389832823093
  N   -5.60928260815639     -5.54385202340984      4.13275527121090
  Mo  -3.87332972686912     -4.50372477335989      4.01346586714539
  N   -2.64497922725949     -5.16093527887238      5.42649211905676
  C   -1.87671209040751     -6.38023769834469      5.11110840455520
  C   -2.69865097424676     -7.25808180917275      4.17822284407258
  H   -1.63101611600905     -6.97027354491949      6.00967272327600
  H   -0.90673477232768     -6.12794699719112      4.63458154644479
  H   -3.54075733442777     -7.68250591247275      4.74164318549857
  H   -2.10269881264449     -8.08934132095479      3.76006982104765
  H   -6.60976676693323     -7.05835717525875      2.99798539427590
  H   -5.58444911162022     -7.67623731665318      4.29974923252815
  H   -4.75827122314100     -6.45019469688469      1.61759270099795
  H   -4.35817965447738     -8.07800871307009      2.24991079201376
  H   -1.56215638163832     -4.50847355316922      0.83513157706253
  H   -3.31250172189590     -4.74047539923915      0.75599029752393
  H   -1.27062962393848     -6.20773304077349      2.49745341186740
  H   -2.30875747856634     -6.93835704527652      1.24262800995806
  C   0.44947183359599     -3.49804292923485      2.72111111798051
  N   -0.58633793122921     -2.68973396919483      3.36291097605299
  C   -1.87564602493929     -2.57899112948272      2.63540675021177
  C   -1.66962966860971     -1.83422250480610      1.29774790150375
  C   -2.96211351512819     -1.29712084183229      0.74201674368672
  C   -3.54969542317026     -0.15403195303829      1.30473965426706
  C   -4.76134970031657      0.34261602956977      0.82455345742064
  C   -5.41085189479343     -0.29679919809790     -0.23486719194528
  C   -4.83392038420644     -1.43019959758531     -0.80994472253872
  C   -3.62060854128686     -1.92311077136765     -0.32403611644519
  C   -7.66130563037163     -7.12909946263932      6.28389596907332
  N   -6.84391728022909     -5.91906164993125      6.23121434242427
  C   -6.75131588163874     -5.16389878300710      4.95464945332172
  C   -8.08231480525105     -5.15309019108131      4.17616330737376
  C   -9.15794595248068     -4.24536285851252      4.72463010374246
  C   -10.07385134479743     -3.65277175792799      3.84049438430364
  C   -11.09052881723924     -2.81814801325928      4.30531976203562
  C   -11.20891980252896     -2.55206277424358      5.67224435533947
  C   -10.29884134493878     -3.12628227390361      6.56171962939648
  C   -9.28279132419993     -3.96424500537375      6.09410017405874
  C   -3.37242201349202     -6.42200699941123      8.03527921059241
  N   -3.24936104303186     -4.98122003661994      7.83842938490692
  C   -2.37680170511548     -4.54779097975933      6.73323108001272
  C   -0.88694095608150     -4.63295968353726      7.15811471597466
  C   -0.51365997981921     -3.53649242155155      8.11696280567100
  C   -0.61133493606573     -3.70976345866159      9.50439186824273
  C   -0.30735686621749     -2.66552518829889     10.38010289583026
  C   0.09839409569353     -1.42485703513271      9.88152260197596
  C   0.20063992866635     -1.23855456295125      8.50042921414197
  C   -0.10228607177070     -2.28634109560365      7.62884211087922
  H   0.15580720324017     -4.54512187985614      2.50879795285204
  H   1.33369901151720     -3.52698044559723      3.37366481482009
  H   0.75686950082068     -3.03256234100997      1.77379028276875
  H   -0.81715141013034     -3.12892571856940      4.25951680888370
  H   -2.47247399902035     -1.89758718428598      3.26664205199318
  H   -1.18690762143218     -2.48660189342367      0.55629560012777
  H   -0.97350971336509     -1.00512048988185      1.49812488776797
  H   -3.04513286645422      0.35484882943558      2.13062805369964
  H   -5.20263078759917      1.23174429713640      1.27895937138091
  H   -6.36101244983155      0.08780389032028     -0.60911484492609
  H   -5.33142999391697     -1.93598667019917     -1.63981858496211
  H   -3.17492744997401     -2.80931249158233     -0.78148188481832
  H   -7.48360055159810     -7.61927248034115      7.25191216174253
  H   -8.73104853490557     -6.86853495233221      6.24631602894410
  H   -7.46796644986695     -7.87520401764936      5.48880462076081
  H   -5.88378416960499     -6.13906641753819      6.50328234814133
  H   -6.55827081748520     -4.11524450999645      5.24069333337401
  H   -7.84390012926136     -4.83178850294713      3.15186996150830
  H   -8.47919400638038     -6.17765428978766      4.08627755015821
  H   -9.97994666808581     -3.84622880192835      2.76871915771510
  H   -11.78850359544444     -2.36745102566204      3.59689943928297
  H   -12.00106395233732     -1.89686442152805      6.03908603491196
  H   -10.37746871240185     -2.92032300563500      7.63135371279335
  H   -8.56720331120489     -4.40643537461136      6.79151181180573
  H   -2.40404752224834     -6.85073602513661      8.33373602313380
  H   -3.72611507210828     -6.97329575704657      7.14017175931920
  H   -4.08066424157219     -6.61064327800937      8.85413033680371
  H   -4.18229727022763     -4.60129659016228      7.66266108187925
  H   -2.59394655523413     -3.47542143159385      6.62153651133249
  H   -0.27107200473334     -4.54545904737660      6.25005208111650
  H   -0.67189579694622     -5.61709685095086      7.59977768841702
  H   -0.93590981073480     -4.67464260135397      9.89927429853134
  H   -0.38782026062529     -2.82114742102985     11.45778248943407
  H   0.33791396054634     -0.60887369769529     10.56562148006110
  H   0.52362803750399     -0.27553206832246      8.10000857562126
  H   -0.01445925593454     -2.13415213977085      6.54880914475290
  N   -4.41176811367501     -2.53245032641577      5.13166666116357
  H   -5.09848834425415     -1.95402937600619      4.61899950339839
  H   -3.59292010550244     -1.93432028599824      5.28033329383444
  H   -4.81178552890624     -2.68531875820752      6.06209302237671
  N   -5.55731203467458     -3.09201650784989      2.53540951888070
  N   -6.18636480438182     -2.16980670121572      2.67439468997482
