101
Coordinates from ORCA-job /scratch/magstr/orcajob__5658512-21Mw/orca
  N   -3.92666549986954     -4.25663217177746      1.66891464022942
  C   -3.45673542753051     -5.45449370313961      0.97067124527189
  C   -3.08942383843248     -6.51192652628495      2.00844786225733
  N   -4.14119836534758     -6.58827067647220      3.06570731651180
  C   -5.31188137466347     -7.41203235936791      2.63624791257079
  C   -6.57090713930509     -7.01346838354943      3.40640029833958
  N   -6.64835284287329     -5.56081529760653      3.42136644526868
  Mo  -4.91061771166433     -4.61601743070951      3.36202964247403
  N   -3.78934553419231     -4.70922883075900      4.99304222884149
  C   -2.91122154820170     -5.88638373432257      5.09365823323409
  C   -3.58023440472148     -7.05235829924394      4.37492970098850
  H   -2.72611373298495     -6.19084803195595      6.14066018020479
  H   -1.91534084716780     -5.68882073171693      4.64992601830837
  H   -4.42989434647024     -7.40450770554664      4.97718085955396
  H   -2.88881267907386     -7.90033346892641      4.22174711561887
  H   -7.43774873392532     -7.48686838289203      2.90670975402682
  H   -6.54963470934484     -7.43266537545282      4.43695606162362
  H   -5.46376093737386     -7.20466110446476      1.56794034017504
  H   -5.09123655706034     -8.48851455812815      2.75578999477307
  H   -2.55496530907475     -5.26272213943955      0.36074050937837
  H   -4.21596314498660     -5.85871046505266      0.26885309993000
  H   -2.16012172688642     -6.20725313513264      2.50917686791741
  H   -2.93246923785150     -7.50715921850437      1.55523931175425
  C   -1.89044932164870     -1.18789381101473      0.57167296454829
  C   -2.18818244860757     -2.67490037963230      0.76708311073664
  C   -3.67726363214364     -2.96981333840560      1.02819659283014
  C   -4.51834662054455     -2.81854019782465     -0.25939395082436
  N   -5.95139142571715     -2.84316640550713     -0.01961644479881
  C   -6.60121264144058     -1.77300124010723      0.57831555987835
  C   -6.06901069576719     -0.46714717689065      0.60823850693610
  C   -6.80543360257933      0.57174581276259      1.17750182652462
  C   -8.06768369773590      0.36216906620984      1.73103896096878
  C   -8.59577905761767     -0.93899635361044      1.71529717026067
  S   -10.18150086427532     -1.32745731364895      2.41051640828897
  C   -7.87146592633694     -1.98967594357891      1.15215409873865
  C   -10.21852341497667     -4.67097200843542      4.58503923425657
  C   -9.11734458497106     -5.16214683129466      3.64783687279960
  C   -7.70758903964074     -4.94401328748541      4.21834342100753
  C   -7.36047475786105     -3.44071656882238      4.34663914244513
  N   -7.23758987143225     -2.99448770654119      5.70747521187950
  C   -6.75918966610653     -1.71953729599756      5.97495636517453
  C   -6.63833831180124     -0.73120291960568      4.97783702613340
  C   -6.13371409326316      0.52620011578107      5.31342600958543
  C   -5.72682356941982      0.83126925431802      6.61095229276813
  C   -5.84219857805614     -0.15720941570736      7.60384480302279
  S   -5.33591784416485      0.11570401704602      9.28324893249091
  C   -6.36177780218196     -1.41261445696970      7.29241719316424
  C   -1.11182547456707     -3.59770000716650      6.71923788697949
  C   -2.31738077726171     -2.91115915604954      6.07202681235997
  C   -3.65496653552035     -3.67891595466429      6.02534098394745
  C   -4.07614806100985     -4.20455689572684      7.41249062140609
  N   -5.33085849095632     -4.92801326341549      7.26470989685395
  C   -5.87662536105396     -5.67502827259818      8.29724049109104
  C   -5.56305196261239     -5.42796589910367      9.64831923693650
  C   -6.19018397119341     -6.17019056541794     10.64946236700840
  C   -7.12436848455200     -7.16169707422001     10.35156478000448
  C   -7.43031110723593     -7.41674516161651      9.00483365193268
  S   -8.59992495863242     -8.65612979021250      8.51074460251518
  C   -6.81067245883162     -6.68507444398710      7.99105716928536
  H   -0.81490750829557     -1.01323554543651      0.42494376363618
  H   -2.20840465383823     -0.60636124343262      1.45062513164787
  H   -2.41124304285728     -0.77571154259219     -0.30541746559887
  H   -1.61955483707048     -3.05532090077642      1.63124004184462
  H   -1.83838767314859     -3.24023055050747     -0.11383310437750
  H   -4.04220380941488     -2.20914678577516      1.74336632668514
  H   -4.26040223648988     -1.89315516107681     -0.79313316651630
  H   -4.27702023015550     -3.64680286449669     -0.94438007946507
  H   -6.26639465000096     -3.74214053405771      0.34377345514614
  H   -5.08131984463738     -0.26022782004861      0.19942968318197
  H   -6.37718507143077      1.57615976737624      1.19531614951087
  H   -8.62708185978374      1.18563094027267      2.17515142362987
  H   -10.37844762195533     -0.13303953205015      3.01412510457971
  H   -8.28009193033065     -3.00319492911419      1.15780391604047
  H   -11.21379851861305     -4.83644044239873      4.14864565132451
  H   -10.12174624222161     -3.59499659159363      4.79033957520801
  H   -10.17913001221102     -5.20057734646284      5.54937624216219
  H   -9.17985713336298     -4.64930826536831      2.67346361274870
  H   -9.25404044796235     -6.23714402624593      3.44834107067716
  H   -7.70872225123096     -5.37766936600094      5.24373358267091
  H   -8.11867389285173     -2.83009366625660      3.82995121720528
  H   -6.43511391180651     -3.19580154457489      3.71162442944128
  H   -6.85134122800294     -3.69808157419276      6.34703439519042
  H   -6.93279215733191     -0.93247153629045      3.94904508283150
  H   -6.04731224288139      1.28446008715930      4.53212530072816
  H   -5.32614879349944      1.81653379185797      6.85159981202457
  H   -4.87012777167736      1.37191337776622      9.09818742337211
  H   -6.45314304513763     -2.18033996446669      8.06457675270926
  H   -0.83524588374790     -4.52912437087035      6.20781505257854
  H   -1.29634858450309     -3.83903368190638      7.77657798246940
  H   -0.23634094922250     -2.93258532806407      6.68689174779877
  H   -2.51011726679789     -1.96412375693871      6.60476106049171
  H   -2.07684172299096     -2.63353049547952      5.03255209391005
  H   -4.41231913882168     -2.92780169056153      5.74182363780664
  H   -3.29764487581975     -4.85614836783907      7.85308035819336
  H   -4.20151915175974     -3.34359068481250      8.08797950015536
  H   -5.35654731624138     -5.37592579080106      6.34144667886854
  H   -4.84067890388878     -4.65566557026686      9.91068572457648
  H   -5.94329754023637     -5.96938740530057     11.69397438952818
  H   -7.60646271953909     -7.72834895636456     11.14866783769527
  H   -8.87534631067027     -9.10828956929878      9.75515007738148
  H   -7.05029325683815     -6.88756696312303      6.94371008191598
