120
Coordinates from ORCA-job /scratch/magstr/orcajob__5655490-9IPB/orca
  N   -3.06525032788858     -3.43560436371371      2.09365486146317
  C   -2.71165994151575     -4.44691729930215      1.09520948790312
  C   -2.57276492431761     -5.79689436987204      1.76180300521246
  N   -3.66375746607840     -5.96643823802884      2.75026464711501
  C   -4.96947956242653     -6.26456815441708      2.10967487755578
  C   -6.09273576190867     -5.83476323434731      3.03186732674029
  N   -5.83022875072984     -4.48580235774061      3.55228645858271
  Mo  -3.96199690287106     -3.93330416722546      3.78558501432772
  N   -3.10734945008800     -5.01741222207191      5.20427949161719
  C   -2.42828611199062     -6.25883776605355      4.81523023578270
  C   -3.29030859260178     -6.96398845012842      3.78324709679478
  H   -2.29096281394886     -6.91320118328196      5.68839247212010
  H   -1.41937007672872     -6.04976233134721      4.41921274068737
  H   -4.21195789595952     -7.31740917668446      4.26409068258985
  H   -2.78175966103825     -7.82661608274341      3.32025942228240
  H   -7.03435314685084     -5.85708322001420      2.46430843947106
  H   -6.20557632286891     -6.54775929217231      3.86989940151107
  H   -5.02635887462168     -5.68242940843709      1.18086115280625
  H   -5.03953860292183     -7.33508495442111      1.85346787793054
  H   -1.75008436612954     -4.18777847342791      0.62267111578241
  H   -3.46891688892718     -4.46774719556910      0.28732118690920
  H   -1.62180085490148     -5.82826512351307      2.31098285838400
  H   -2.57972037870310     -6.62254492495920      1.03065075760275
  C   -4.04694541432195     -1.18254195312141      1.50953543274965
  C   -2.80185472222504     -2.05850390300463      1.60928106042974
  C   -1.68321710129981     -1.39400469203062      2.44148522827489
  C   -0.43620435690988     -2.23485399916584      2.46315313693925
  C   -0.19262429616549     -3.12172899755944      3.51966475530359
  C   0.91179768065802     -3.97119534702526      3.51026233483484
  C   1.80499129610044     -3.94147811388402      2.43195778123657
  S   3.20844432027825     -5.03556377635475      2.39780908987608
  C   4.38243440712989     -4.19682337892510      3.44253371252559
  C   5.50765639992119     -4.93537560357317      3.83874591250005
  C   6.48729970404345     -4.33733643807074      4.62935202567211
  C   6.35513919202956     -3.00733306208353      5.03729623119256
  C   5.23210315448308     -2.27815548929436      4.64323065321987
  C   4.24577599200733     -2.86321978092686      3.84698128012450
  C   1.57814171377806     -3.05450158576797      1.37104404417641
  C   0.46595572894136     -2.21171894226471      1.39026237702299
  C   -8.06825518456030     -4.56972329632468      4.67460417784567
  C   -7.02059425588557     -3.71355889840688      3.96066985576814
  C   -7.61003648264046     -2.89387798460988      2.77618644996259
  C   -7.97572163102390     -3.69666431176783      1.55924443226524
  C   -7.05397490659732     -3.86049252008650      0.51559574665115
  C   -7.32708627969453     -4.68389043217574     -0.57493270098051
  C   -8.55749989913103     -5.35241448668455     -0.66043508628136
  S   -8.86535620120758     -6.32341303582352     -2.11212134797689
  C   -9.96337751356771     -7.59644150726853     -1.53023033540788
  C   -11.11818543777973     -7.87252767682703     -2.27262064093316
  C   -11.95643585796772     -8.92254292446215     -1.88903350061983
  C   -11.65939287874803     -9.68267981845102     -0.75694048342718
  C   -10.50921698158288     -9.39939674870283     -0.01233304994774
  C   -9.65472250661855     -8.36989736762846     -0.40150078277710
  C   -9.50885805180152     -5.16328670847872      0.35344681945911
  C   -9.21372275224363     -4.35018172261579      1.44530889874988
  C   -4.69431378491470     -4.52217781782532      7.07755471274421
  C   -3.24576056303676     -4.79106106623530      6.66297004596375
  C   -2.30026179893670     -3.69918242830558      7.18791402314183
  C   -0.82109991617366     -4.01571413635386      7.16747659722820
  C   -0.31887452147807     -5.29746160366275      7.43838468242369
  C   1.05001199878036     -5.55528145840282      7.47287004625326
  C   1.96842894103810     -4.52468054878963      7.22835114805037
  S   3.72358591730072     -4.73506611884216      7.32334039501424
  C   3.96727118584070     -6.44344836548663      6.89999853750429
  C   4.77490319751164     -7.22917952463924      7.73146420064223
  C   5.07209747137469     -8.54626154250018      7.37049180446379
  C   4.54960090843368     -9.08828228920697      6.19515492570329
  C   3.73651036228943     -8.30278542233545      5.37029072965018
  C   3.45466916328748     -6.98166199264737      5.71068708457881
  C   1.48298890996319     -3.23586239724624      6.95758476385408
  C   0.11095820383294     -2.99410382755824      6.93729235815362
  H   -4.52834457259184     -1.05149694274326      2.48700913409577
  H   -3.77875939962956     -0.19090238441107      1.11817621156407
  H   -4.78566349328780     -1.62666130626805      0.82903305474529
  H   -2.40663922355514     -2.16844865787895      0.58503673391086
  H   -2.05058366678705     -1.23187075808456      3.46713966920840
  H   -1.47475648236885     -0.40610661732607      2.00217746434472
  H   -0.87464112086008     -3.14486538317233      4.37082646549087
  H   1.09315618860156     -4.64245106059605      4.35072067181112
  H   5.60850944087827     -5.97975081600139      3.53778934011059
  H   7.35594982239131     -4.92234104928923      4.93646470877252
  H   7.12053528990790     -2.54509785810194      5.66182494950588
  H   5.11696150469070     -1.23851007973113      4.95580305313336
  H   3.37513849812762     -2.28251366243717      3.54189668476582
  H   2.28420597173046     -3.02161179373787      0.54019600165115
  H   0.30146474427624     -1.52069120372320      0.55948294236356
  H   -8.85923173845677     -3.91815121152259      5.07103143896485
  H   -7.61911709370483     -5.11045110969520      5.51981542923944
  H   -8.54367308361179     -5.30227719736366      4.00895700858243
  H   -6.66860211225139     -2.96651011582572      4.68546975209678
  H   -6.86110969397630     -2.13746997714371      2.49904685791674
  H   -8.49165567271297     -2.35704495926851      3.16120408237607
  H   -6.08959871538532     -3.35193615704518      0.57535984065818
  H   -6.58512182962885     -4.81456994695101     -1.36552709775809
  H   -11.35910278008823     -7.26121463174529     -3.14358634617149
  H   -12.85318868864220     -9.13500923515136     -2.47327189926915
  H   -12.32099233186819    -10.49536728661385     -0.45390647131834
  H   -10.26876579316408     -9.99595315650373      0.86953689262963
  H   -8.74739412318231     -8.16056067350249      0.16706451957220
  H   -10.48076873802135     -5.65290646746615      0.28536073044426
  H   -9.96929021737544     -4.21270145404867      2.22217860450598
  H   -5.36011407416163     -5.29951467950997      6.67878759118950
  H   -5.05623824973269     -3.55069972161226      6.71317136060856
  H   -4.77580211286843     -4.52494554321902      8.17358833392042
  H   -2.96341889157470     -5.74179825468944      7.14318935295963
  H   -2.60248718390935     -3.47381765136590      8.22637422221483
  H   -2.47595686417675     -2.77760626210086      6.60918393730007
  H   -1.00107308048055     -6.12166682313895      7.65536095828590
  H   1.40748277440924     -6.56074703255534      7.69673778982225
  H   5.16619713554677     -6.80730875700613      8.65845876875006
  H   5.70649942468557     -9.15197155543255      8.01966905327191
  H   4.77723082508638    -10.11886601626441      5.91867667869759
  H   3.33751475270990     -8.71446716883327      4.44119775011010
  H   2.85749322569679     -6.35933648500756      5.04312953354285
  H   2.18540466119705     -2.42750441792285      6.74626047403337
  H   -0.24483568848926     -1.98378478897657      6.71908597323863
  N   -4.22906210708297     -2.37805356768425      4.57967151421615
  N   -4.53553535712022     -1.25835915688277      5.19731886735595
  H   -4.34682593046169     -1.23350555947827      6.20244950685978
  H   -4.31035702522033     -0.39412837209175      4.69863873070694
