106
Coordinates from ORCA-job /scratch/magstr/orcajob__5658526-NoGB/orca
  N   -3.23546275383025     -3.91375938409005      2.33617462657793
  C   -2.79598419735673     -4.96344355827248      1.40541837352768
  C   -2.44597678376339     -6.20929916455736      2.19745175570975
  N   -3.56665596993411     -6.51899432238843      3.12026327989781
  C   -4.74273208427483     -7.08552491455291      2.42483378234246
  C   -5.99951804099639     -6.89404614572590      3.26772025411917
  N   -5.99408095162710     -5.60593763353505      3.97161550669871
  Mo  -4.27672131622800     -4.53212155078338      3.93192828838856
  N   -3.00222097182050     -5.12015876861102      5.35968404664595
  C   -2.41769305839564     -6.46543895628443      5.29938884497990
  C   -3.15638402268906     -7.33268750605865      4.28705460355474
  H   -2.46322143470944     -6.96651653033758      6.28157938739632
  H   -1.34627894287160     -6.39471055266109      5.03665930259003
  H   -4.07430056645598     -7.73322761750771      4.73798815057912
  H   -2.53601368783689     -8.18747483559669      3.96653440559897
  H   -6.86805890966770     -6.97199513100798      2.59129279021250
  H   -6.09244495267280     -7.73411425273189      3.97959703346788
  H   -4.83965274479567     -6.56658067004981      1.46212439577616
  H   -4.58961041219922     -8.15923826279471      2.21474039544893
  H   -1.90185466987686     -4.64880191010584      0.84145634938604
  H   -3.57231491237301     -5.18193128051496      0.64718379784169
  H   -1.56055942905943     -6.01124637121649      2.81748577655563
  H   -2.22068492498714     -7.06718895666753      1.54068188490059
  C   -3.28019047078488     -0.83686011904336      0.03198791144695
  C   -3.08758897291314     -2.30825260838190      0.39501633566433
  C   -3.83105795783068     -2.72433404367661      1.67489963006820
  C   -5.37959492963979     -2.94969783534459      1.50785130509458
  N   -6.21852652973096     -1.94917383292253      2.13889441859845
  C   -6.41468300065560     -0.68568752503675      1.57015575268635
  C   -6.88229537959528     -0.53546552358945      0.25156516135273
  C   -7.13084500212859      0.73913306368053     -0.25267182380300
  C   -6.94371869995522      1.88143042818445      0.52874285178981
  C   -6.48794278888965      1.73424532157442      1.84633260206878
  S   -6.23206234860027      3.11001394134058      2.93337427727703
  C   -6.21410919205244      0.45998873868101      2.35491986829277
  C   -9.29193531260266     -6.19749629905638      5.95769172537430
  C   -8.14272353809048     -6.51788199884528      5.00007296995587
  C   -7.19853112351257     -5.31857508203772      4.79828430761935
  C   -7.96145305112916     -4.06132091696285      4.31541181916559
  N   -8.20769431071548     -3.14134621132457      5.43943288127338
  C   -8.35668905817085     -1.78039132338533      5.19198987951013
  C   -9.01302252285596     -1.31509111896141      4.03645922593535
  C   -9.18043058318634      0.05188411876231      3.84074768373142
  C   -8.69530908235303      0.99413241744322      4.74922524986492
  C   -8.01626134930989      0.54772794934679      5.88713451638296
  S   -7.31783149924429      1.64842877851738      7.08110455603266
  C   -7.83025450066363     -0.82914440357968      6.09870695407513
  C   -0.58141477831604     -5.40577475515753      7.83964569838909
  C   -1.09338505919562     -4.33162235867470      6.87751598136351
  C   -2.60037405659127     -4.30208531675251      6.52526911418576
  C   -3.50341977614583     -4.57408219300557      7.76455581688840
  N   -4.90974249117338     -4.69602286863711      7.28370517407721
  C   -5.72434913919816     -5.69167576435911      7.91933460391882
  C   -5.53571259715678     -7.05618935144676      7.66487867727778
  C   -6.37836828700106     -7.98886173664626      8.27103552773953
  C   -7.40456274739690     -7.57828252212274      9.12048061116831
  C   -7.59348090916287     -6.21174505744983      9.37674070114097
  S   -8.90333532606967     -5.59069417567495     10.38164413149628
  C   -6.73959272254405     -5.27231629615601      8.77874581134646
  H   -2.68950545456477     -0.58179469069057     -0.85891379063102
  H   -2.95158408105252     -0.18343025184952      0.85391854178928
  H   -4.32987561367447     -0.59636023758902     -0.18175995117422
  H   -2.01300017549960     -2.49718312297852      0.54355842019745
  H   -3.40611600123565     -2.94361652732612     -0.44768087831113
  H   -3.73137726522016     -1.90036936569828      2.39922202784805
  H   -5.72344791465348     -3.10178671589675      0.47311055639401
  H   -5.59384985689181     -3.93108129628528      2.00670022972588
  H   -5.94678957245224     -1.88404460787019      3.12698221726027
  H   -7.05912038187799     -1.41581991119532     -0.36749473177033
  H   -7.49331129587545      0.84925093528834     -1.27638178992393
  H   -7.15424689194243      2.87039102762516      0.12081006231817
  H   -6.52496481949999      4.07491012859707      2.03171753523144
  H   -5.84783260697901      0.34728445885959      3.37852753455969
  H   -9.87697274388494     -7.10518733457337      6.16000207975617
  H   -9.97651293696523     -5.44291079924076      5.54711577953259
  H   -8.91774887696396     -5.82208881013770      6.92216542796213
  H   -8.54764485777679     -6.85119164334002      4.03189055570090
  H   -7.56857100190493     -7.35603277383209      5.42096802842536
  H   -6.84432652871732     -5.08783000973467      5.81807836404079
  H   -8.93052633334278     -4.34638837237064      3.87435887818531
  H   -7.37551155167881     -3.56503244663491      3.52860185156610
  H   -7.58950610530488     -3.32275268090985      6.22701501514386
  H   -9.39156893293410     -2.02191629839742      3.29971529055266
  H   -9.68949207017771      0.39998717414916      2.94041558393983
  H   -8.82234701280258      2.05926680966706      4.55908599637756
  H   -7.72602204069542      2.79297358149854      6.48722543460631
  H   -7.41729853319219     -1.16357410700385      7.05737110192738
  H   -0.79848899096414     -6.42872018176939      7.50561987454602
  H   -1.00332921818806     -5.28599371406232      8.84718525132627
  H   0.51008543504694     -5.32043883622588      7.93511725735974
  H   -0.85768910641373     -3.34757700543095      7.31311787694397
  H   -0.53513448151726     -4.36967581768423      5.92924376973856
  H   -2.78713778075986     -3.26531019591398      6.20929401757661
  H   -3.20644049013058     -5.49128465719247      8.29533063158868
  H   -3.39582926444856     -3.73081350438018      8.46464482874528
  H   -4.66574260539503     -5.00518999017601      6.32229190865684
  H   -4.74045602507901     -7.37705572797953      6.99088421838119
  H   -6.24181153842205     -9.05368124348113      8.07502240342683
  H   -8.06276211451673     -8.31807142823324      9.57764000657290
  H   -9.39394632615639     -6.79463139589555     10.75559505001738
  H   -6.87920956834222     -4.20398887257097      8.95623267419798
  N   -4.86157194215937     -2.91287660080758      4.60974954570806
  N   -5.22941998825231     -2.35466648853393      5.90961850990948
  H   -6.05273094368230     -1.73836876318436      5.73336133132327
  H   -5.42086094668098     -3.18041896486119      6.59685131944122
  H   -4.47464981319243     -1.82181196699417      6.36796921266212
