117
Coordinates from ORCA-job /scratch/magstr/orcajob__5655478-8hgd/orca
  N   -3.36584353252901     -3.39516096943843      2.15823833338886
  C   -3.12404093044843     -4.26300512510848      1.00240101947090
  C   -2.98267115742265     -5.73488568991682      1.37449006835246
  N   -3.97393541235369     -6.13964037394242      2.36965359384277
  C   -5.35178566680205     -6.22435617390803      1.88726565840321
  C   -6.33577597668921     -5.86381210046548      2.99521517809569
  N   -5.97336746554187     -4.61939576828744      3.67779561317610
  Mo  -4.06839126692482     -4.12788724845960      3.88334673347770
  N   -3.14912787605835     -5.53246003499551      4.97270783379589
  C   -2.58303878025960     -6.70470705126672      4.29790304410877
  C   -3.53664674626696     -7.24348632441743      3.22879634189318
  H   -2.37533190940686     -7.50455719621062      5.02631151391914
  H   -1.60971124574302     -6.45729983418925      3.83268575282544
  H   -4.42310018249197     -7.66570556673660      3.72332628647779
  H   -3.05598271864967     -8.05259771624047      2.64322322832617
  H   -7.33357477825349     -5.78265855773445      2.53740301273316
  H   -6.39517844730070     -6.69713006133826      3.72348506538297
  H   -5.46568923874227     -5.50900970219412      1.06201781272418
  H   -5.59468941260056     -7.22975974781989      1.48854561981384
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  H   -3.92380450855100     -4.12259771194374      0.24482623687101
  H   -1.99023703793639     -5.87983683671544      1.82414187539981
  H   -3.02539151953098     -6.36184690939404      0.46127087382448
  C   -4.20659641485886     -1.02916475025407      2.08581748496185
  C   -3.04157094311272     -1.98821070987128      1.84658245091599
  C   -1.77719706771289     -1.49076993783057      2.60351225704671
  C   -0.61151776138632     -2.42746571440528      2.47776133070848
  C   -0.53297626040773     -3.53317069263564      3.33251534115970
  C   0.49714121049270     -4.46636743834591      3.22329332209894
  C   1.47690383841447     -4.30298060465388      2.23790396588489
  S   2.76743783040748     -5.51744728555400      2.09972634507220
  C   4.23341274731892     -4.57326346983197      2.46126147592572
  C   5.46576009114066     -5.11120810885647      2.05200066140940
  C   6.66255372906803     -4.46350425450822      2.38434658503013
  C   6.64123940301622     -3.26626234803030      3.10446715086146
  C   5.41050689648715     -2.72822176728851      3.50168751204907
  C   4.21015581121484     -3.37876677638047      3.19526956957149
  C   1.41607026379239     -3.20002836691892      1.37145990459643
  C   0.38443033917525     -2.27057392244393      1.50012326069718
  C   -8.17931904349877     -4.74484843427774      4.87824284895736
  C   -7.09527196997905     -3.86098854836674      4.25457187408179
  C   -7.67463731829777     -2.82880308004067      3.24033861415447
  C   -8.12243566018176     -3.39752413609109      1.92506103208144
  C   -7.21963305869141     -3.48181717938021      0.85502505220287
  C   -7.58224627055777     -4.07130204339997     -0.35632052857911
  C   -8.87932517987086     -4.56904469939770     -0.53147505824858
  S   -9.33887935348530     -5.21284574266099     -2.12430842168625
  C   -10.04172673403495     -6.80337195632822     -1.75061909764513
  C   -10.94527493975433     -7.34425974773439     -2.68814627957439
  C   -11.47560477504743     -8.62262516948695     -2.49509300049008
  C   -11.12922241966674     -9.36395173096812     -1.35891825957040
  C   -10.23494493616102     -8.81907232801890     -0.42110055643372
  C   -9.68197215655009     -7.55125643471567     -0.61603925726835
  C   -9.80625557624369     -4.46291881903560      0.51744645398285
  C   -9.42345484335932     -3.89391984211474      1.73005436914443
  C   -4.60238993928379     -5.56735829071229      6.98519324744507
  C   -3.16502164746810     -5.59713825884834      6.45233196173447
  C   -2.31318191976238     -4.51791548211984      7.14415340213925
  C   -0.82342924706411     -4.61365355968543      6.91154917175412
  C   -0.13726521944436     -5.83271556718915      7.05772532994565
  C   1.24465455962493     -5.91775955924497      6.91241143328529
  C   1.99369726571557     -4.76369105572714      6.64388946750165
  S   3.74781861372273     -4.80873396208604      6.37397791243083
  C   4.34263327545167     -5.94502763164577      7.60165218936073
  C   3.82107850327780     -6.00347955485766      8.90218536773715
  C   4.38297576014181     -6.87224531042521      9.83622740934814
  C   5.47928192726232     -7.67075747216323      9.49469070000329
  C   6.00616549119507     -7.60081646327315      8.20368516441911
  C   5.43628361531364     -6.75105745881218      7.25408361635693
  C   1.32883729923438     -3.54091403913144      6.49158669004753
  C   -0.06193591777348     -3.47673555798376      6.61565221862548
  H   -4.52837387401340     -1.07433960635090      3.13637593336643
  H   -3.89838668311332      0.00243263612675      1.85973952803873
  H   -5.06109201083089     -1.27885517195423      1.43934959922924
  H   -2.79336701396989     -1.95054400256363      0.77020682943765
  H   -2.04782401816921     -1.36569164728871      3.66420095082399
  H   -1.52220567304667     -0.49804814024474      2.20198201110386
  H   -1.28462489537063     -3.62721731790737      4.11795619719957
  H   0.56547103803274     -5.29327045038830      3.93020485693495
  H   5.48301602950289     -6.03583937271007      1.47214123934649
  H   7.61632584347595     -4.89273516271421      2.06440422462883
  H   7.57724839613658     -2.75593183654723      3.35520860919297
  H   5.38217087540807     -1.80045661088828      4.07660690119158
  H   3.25742689649442     -2.96804459149275      3.53852204599234
  H   2.18806695417215     -3.06838565475582      0.61057070024873
  H   0.35142321884911     -1.41210981036067      0.82406957536627
  H   -8.89320296754967     -4.11237000828025      5.42466500956977
  H   -7.73663848922825     -5.45346004956890      5.59251270299534
  H   -8.74631860976993     -5.31727924108350      4.13081850520938
  H   -6.66265448430358     -3.25046325776730      5.06006577317795
  H   -6.88373445699214     -2.08669014661766      3.05851312029769
  H   -8.50925324195964     -2.30799374384921      3.73711476651938
  H   -6.20312135414879     -3.10654512360335      0.99090535204381
  H   -6.85784386430984     -4.15066617393313     -1.16979029175499
  H   -11.23484679339530     -6.75745888408101     -3.56361709783509
  H   -12.17649815416226     -9.03462047983552     -3.23255758720957
  H   -11.55462319996528    -10.35825607236194     -1.20343835804275
  H   -9.95367940836640     -9.39075355477872      0.46874624260355
  H   -8.97403175524564     -7.13833694429862      0.11189444997548
  H   -10.82520168574257     -4.82743310590583      0.37758720137551
  H   -10.15382254394566     -3.81582284649079      2.53926673434928
  H   -5.18731944544216     -6.39382048703851      6.55363819420589
  H   -5.08901019600726     -4.62093196532291      6.71204608487466
  H   -4.61503742743691     -5.66099382594571      8.08231604682967
  H   -2.73637528542023     -6.57467076261391      6.72924268234029
  H   -2.50196375362202     -4.61528279054664      8.22766136117411
  H   -2.68530293214367     -3.52472927655550      6.85111538785390
  H   -0.69317803272582     -6.74202245007774      7.29196268532403
  H   1.74862815729167     -6.87936414012936      7.01950283908398
  H   2.97622980762727     -5.37172177535649      9.17753089004072
  H   3.96741139574209     -6.91566984135596     10.84437967244526
  H   5.91836083478458     -8.34413698806346     10.23181781049750
  H   6.85815831605023     -8.22276226841466      7.92425887026870
  H   5.83137215705072     -6.71269307134608      6.23697362977819
  H   1.90346028556962     -2.64158516921362      6.26418275486599
  H   -0.56596108573383     -2.51478746181761      6.49058597217130
  N   -4.18239481509676     -2.80172258230617      4.90837725678228
