121
Coordinates from ORCA-job /scratch/magstr/orcajob__5655491-Hz74/orca
  N   -3.21522734082255     -3.50110421629668      1.89084837667891
  C   -2.81781256402743     -4.44057583609548      0.85488086156245
  C   -2.58954213686441     -5.80420257221915      1.45993445239200
  N   -3.63013439578457     -6.08095319637987      2.46374055577929
  C   -4.97142668104574     -6.28676382086555      1.88645258652124
  C   -6.01046240843910     -5.96869648610063      2.93754800355282
  N   -5.69209944504997     -4.69564594981341      3.56859082912211
  Mo  -3.81935035883735     -4.15455587419156      3.66619562653738
  N   -2.98420170317964     -5.38520862450976      4.96702444416869
  C   -2.32277105360443     -6.56009817032745      4.42748185054138
  C   -3.22324083886956     -7.17259453727806      3.37613068379126
  H   -2.11031675108148     -7.29008929485540      5.22501382843566
  H   -1.34555484286100     -6.30386152462808      3.98623653867791
  H   -4.12680403900006     -7.57614535111324      3.85135299751835
  H   -2.74373651474158     -7.98473741312692      2.80132539947124
  H   -6.99611976509569     -5.94087451470120      2.44861050116757
  H   -6.05981938100818     -6.77699139313547      3.69328598929606
  H   -5.08698805298922     -5.60192524960334      1.03771180536073
  H   -5.08196337162255     -7.31909162473429      1.50907811609073
  H   -1.87626132249736     -4.11380384166701      0.38094709436249
  H   -3.57640365666044     -4.47630906962444      0.04647791521405
  H   -1.62407211836363     -5.80877024309886      1.98288690896353
  H   -2.56814262186697     -6.59923131531843      0.69245748862188
  C   -4.15817970763339     -1.19060165043816      1.52544897683762
  C   -2.93636988097130     -2.09959156731834      1.52393441813372
  C   -1.78914806671558     -1.48541729043982      2.36599096769536
  C   -0.62256404999217     -2.41027215973767      2.55232869533135
  C   -0.69963383359094     -3.45998426113985      3.47854152719877
  C   0.35713163875680     -4.35384606586732      3.64804441819210
  C   1.50151155416148     -4.24486330525359      2.84504598236311
  S   2.73863152694423     -5.50454597817013      2.99222624275207
  C   4.24239630744838     -4.60044717345562      3.25626057015644
  C   5.43235829783259     -5.19069699759142      2.80384364225888
  C   6.66017270774918     -4.59412279635959      3.09703650890562
  C   6.70983609783333     -3.39856257336115      3.81819885427765
  C   5.52042857386851     -2.80557918240375      4.25285323059472
  C   4.28968008749090     -3.40445100711438      3.98658825187880
  C   1.59047418103496     -3.20325813038057      1.91074362620779
  C   0.54568980629562     -2.29023659766860      1.78542565430445
  C   -7.88813825257452     -4.84653374643370      4.76678567910945
  C   -6.82339419940773     -3.94774011243416      4.13664335518906
  C   -7.42400024953043     -2.94048624956774      3.11739233651731
  C   -7.92254926552314     -3.55710724741140      1.83877523301837
  C   -7.07064522207902     -3.69581270397278      0.73575867709895
  C   -7.48706589937298     -4.34005580700328     -0.42846525528741
  C   -8.79121792381649     -4.84508123108674     -0.52651583349764
  S   -9.29646028682316     -5.56260190199120     -2.06581149772011
  C   -10.27303986731130     -6.96366253852443     -1.57340222107449
  C   -11.40071530229882     -7.27330379619693     -2.34670900843672
  C   -12.14492354211115     -8.42074682958015     -2.06421560789073
  C   -11.78765122211796     -9.25005531919011     -0.99934054573869
  C   -10.66925976245158     -8.93170451647193     -0.22194670231467
  C   -9.90528348906425     -7.80240423385652     -0.51132663218860
  C   -9.66620093737575     -4.68623473918123      0.56043441978097
  C   -9.23065930158991     -4.05712995535378      1.72353867211613
  C   -4.67255562646901     -5.27885402347279      6.81138213790918
  C   -3.19274872323539     -5.33064086958543      6.43057497603934
  C   -2.43166351687767     -4.17736606568185      7.09172004210573
  C   -0.92290930019122     -4.22550813524379      7.09412956264740
  C   -0.18618730513328     -5.41374007857201      7.16508513368646
  C   1.20655638497067     -5.41073222092527      7.28110841901201
  C   1.90562021528295     -4.20091001149652      7.35109099431884
  S   3.65112642133849     -4.03266400980173      7.59232938931564
  C   4.25649105840792     -5.70692726922085      7.57329199882621
  C   4.02596630772486     -6.55916567813989      8.66399247495260
  C   4.54582473192356     -7.85357164435024      8.65381899541665
  C   5.31453457757481     -8.29271841726067      7.57072482470608
  C   5.55984587187784     -7.43560865741597      6.49644368720395
  C   5.02725841823547     -6.14420924347562      6.49072029261564
  C   1.18330214047321     -2.99768833677629      7.24774863174906
  C   -0.20002418704380     -3.02147005105983      7.11482647190187
  H   -4.61971156348105     -1.14756407874507      2.52154521345912
  H   -3.86627334701198     -0.16807783925488      1.24201819600921
  H   -4.92140403064680     -1.53307529473562      0.81484411524344
  H   -2.57395053619882     -2.13834126783806      0.48165214573033
  H   -2.19889610716447     -1.21453424657263      3.35297593528382
  H   -1.47085108640232     -0.55308084060092      1.87557086511768
  H   -1.60194545055944     -3.57043013065255      4.09655881879052
  H   0.31759344411820     -5.11184059454033      4.43032463164200
  H   5.39349241695821     -6.11527433227106      2.22483781040013
  H   7.58145932893671     -5.06289555533589      2.74687453570341
  H   7.66966022247376     -2.93106116205071      4.04168423469483
  H   5.54922096876476     -1.87831224560913      4.82780798827658
  H   3.36878429640060     -2.95896065129103      4.36404307465884
  H   2.47977235763248     -3.10804114959992      1.28612867129562
  H   0.63095435633617     -1.47420076331722      1.06313048565559
  H   -8.64139944539763     -4.22421457476297      5.27111756027615
  H   -7.44821065432579     -5.52049814864810      5.51364241702457
  H   -8.41548432027543     -5.45446522837133      4.01989140382767
  H   -6.40901209013561     -3.34861238719770      4.96510370887104
  H   -6.64691502568422     -2.19756300020626      2.87941146926101
  H   -8.24536248418587     -2.40252002672636      3.62008059654120
  H   -6.04580305806959     -3.32715016782573      0.80212509505393
  H   -6.79314678702884     -4.45925298624606     -1.26278138487736
  H   -11.69661433786993     -6.61226294660662     -3.16315525229293
  H   -13.01895451655342     -8.65561725348433     -2.67409571601770
  H   -12.37725172346856    -10.13989679429108     -0.77464988186714
  H   -10.38038838851634     -9.57771844650224      0.60933056857599
  H   -9.02243226226631     -7.56901977353168      0.08524350219992
  H   -10.68969798623450     -5.05691898707202      0.48992569856261
  H   -9.92685895858875     -3.93954205014411      2.55742181912468
  H   -5.25109297079952     -6.03641252590313      6.26715179877275
  H   -5.10744379297378     -4.29209328313228      6.58896946976883
  H   -4.79031107221195     -5.45799973491559      7.89041346154817
  H   -2.79728561241883     -6.28158692678861      6.82754194998755
  H   -2.78775951021796     -4.09733282810118      8.13529688567060
  H   -2.75132439314124     -3.24551985629347      6.59584631052779
  H   -0.69595023489182     -6.37944812950654      7.14746491206416
  H   1.74759358551552     -6.35523738160431      7.33342564100275
  H   3.44442711378087     -6.19991829172701      9.51451274221778
  H   4.36305110199220     -8.51706327615164      9.50086961431585
  H   5.72831013062443     -9.30254920330967      7.57080633586666
  H   6.16369869392009     -7.77029368201730      5.65107960189504
  H   5.20697474037887     -5.47599177853883      5.64972813290607
  H   1.71265218891467     -2.04232431506275      7.27524231728501
  H   -0.74107874332466     -2.07452958261572      7.03503812181117
  N   -3.82424136221692     -2.60023958356561      4.59943374043167
  N   -4.62073974659748     -1.56294231730111      5.17036787775972
  H   -4.46273361849565     -0.67192986863765      4.66801625668800
  H   -5.65768059389377     -1.72899436410739      5.18864587366029
  H   -4.33420075710874     -1.39228464956874      6.15050210759077
