103
Coordinates from ORCA-job /scratch/magstr/orcajob__5658516-ysvh/orca
  N   -3.56838645480777     -4.22853568378744      1.98380360715827
  C   -3.06175561714153     -5.48486728824863      1.44227934197017
  C   -2.61893914084903     -6.38839273642001      2.57519049504576
  N   -3.67243143568029     -6.45271310797388      3.60647473226807
  C   -4.79461836401380     -7.33148440358526      3.22246263942543
  C   -6.06474464202817     -6.87946506510148      3.92118361549438
  N   -6.23014767443883     -5.42136907481000      3.83705862845157
  Mo  -4.59986954060953     -4.29001837065279      3.73757281040652
  N   -3.55299865973419     -4.42272451837407      5.41901596046665
  C   -2.55306193222571     -5.48067665583521      5.55294705930543
  C   -3.11476132447727     -6.76144491895498      4.94191080157024
  H   -2.30407390095037     -5.67416929747349      6.60842220881905
  H   -1.60444417027975     -5.20663669443029      5.05536042477435
  H   -3.93311321614977     -7.13220083170632      5.57549328561825
  H   -2.35158865997112     -7.55873148209762      4.87365145454647
  H   -6.91773095903693     -7.40146286985628      3.45400530474571
  H   -6.05769420774840     -7.20445736242315      4.98144067276329
  H   -4.93187820626010     -7.23195455246744      2.13635710491034
  H   -4.57060950380447     -8.39201763327376      3.44371520636392
  H   -2.19042831073124     -5.31900269786407      0.78735746258357
  H   -3.81956322167635     -5.99934139417532      0.81304527520736
  H   -1.72632242979318     -5.95367849734109      3.04594547490248
  H   -2.35850722812604     -7.39974557271884      2.21184034039647
  C   -2.48777186347519     -1.63032290641354     -0.61492775085254
  C   -2.53820443617473     -3.01600819892475      0.02761347462147
  C   -3.74745128318004     -3.17333723091692      0.96792428707615
  C   -5.06864518443424     -3.33563287437920      0.16038546642795
  N   -6.20635194478063     -2.68146502586864      0.79779020284486
  C   -6.58322327276350     -1.38658411500125      0.45925390117928
  C   -6.49608827354887     -0.86618539870356     -0.84904322147264
  C   -6.95778570258692      0.42201476805297     -1.11688053228684
  C   -7.51198807559132      1.22845318530182     -0.12185035278747
  C   -7.59831894686980      0.71569769407643      1.18204916560781
  S   -8.27413398574490      1.64908952665560      2.53313731456097
  C   -7.13604563777550     -0.56887351982953      1.46804516068475
  C   -9.83071029207988     -5.38178881180496      2.51297197997140
  C   -8.30916541444507     -5.24411553215609      2.49367877268606
  C   -7.66743912980640     -5.06183643974117      3.88470358130990
  C   -7.93230311759070     -3.65626448435107      4.40501699401564
  N   -7.62358186662346     -3.51514105546162      5.81618094048809
  C   -7.43931988698380     -2.27308241061145      6.38623875510941
  C   -7.76063532713302     -1.07335128608313      5.71616272945132
  C   -7.52068250640709      0.15263571071298      6.33634661559489
  C   -6.96812897953171      0.23550684921557      7.61463912520491
  C   -6.66848334059657     -0.95826402045320      8.29119886620417
  S   -5.96600104981562     -0.98162056706209      9.92346979156361
  C   -6.91392736300731     -2.19283157434072      7.69412505536268
  C   -1.31901695810200     -2.99711379318237      7.28719706147594
  C   -2.68042804360881     -2.48577528744141      6.81317055938946
  C   -3.78685653208568     -3.52660654620804      6.56409450077166
  C   -4.16334241790327     -4.29978154504414      7.83580163328106
  N   -5.27769254281978     -5.17872546624664      7.53651046804468
  C   -5.85199734200718     -6.01240949666392      8.47941586686160
  C   -6.75300118474741     -7.01847402889935      8.06562585530267
  C   -7.37722228041145     -7.82599946720860      9.00816359766147
  C   -7.13747031467544     -7.66722166837898     10.37657872884600
  C   -6.24564577970010     -6.67054640903243     10.79129510046789
  S   -5.86906134539045     -6.38084732829249     12.49916269386648
  C   -5.60185224982903     -5.85079019493335      9.85403323901348
  H   -1.63275980279816     -1.54292511160503     -1.30032820606838
  H   -2.38970869159163     -0.84697232526672      0.15151727446377
  H   -3.39930736508135     -1.41009448323313     -1.19027262778264
  H   -1.61820681330587     -3.17879612681430      0.61269680969838
  H   -2.55699895044362     -3.78954473579399     -0.75856664662112
  H   -3.84035426308488     -2.23110490159591      1.52988213430628
  H   -4.94877542869622     -2.93379598103477     -0.85321537686320
  H   -5.28130753616563     -4.41191894344771      0.04758432098583
  H   -6.14986466323909     -2.78090708204307      1.82083278710378
  H   -6.09370321748401     -1.47069474826042     -1.66163752558605
  H   -6.88785889239198      0.80876889761188     -2.13586980571299
  H   -7.87043652338600      2.23183065547262     -0.35321026075946
  H   -8.54102752693220      2.77002975277479      1.82475673836785
  H   -7.17888284892680     -0.95510086002405      2.48901562949903
  H   -10.21907030782258     -5.55198743594049      1.49861458184891
  H   -10.32320434015381     -4.48019494158928      2.90393389680905
  H   -10.14469482143367     -6.23142162508905      3.13916182449991
  H   -8.00411562196643     -4.39728740556831      1.85690441624730
  H   -7.87364430993201     -6.14380233716737      2.03087493786794
  H   -8.15634925528782     -5.77201170167733      4.58456909441466
  H   -8.99661807125522     -3.42113998178010      4.23768789093336
  H   -7.33194433761024     -2.94337625205909      3.81412397527833
  H   -7.05994825582880     -4.25249526234794      6.23628992187633
  H   -8.18484158394504     -1.09605729487545      4.71355562156779
  H   -7.76289121316730      1.07143248859929      5.79783556770550
  H   -6.78152550147691      1.20372543709841      8.07996886805812
  H   -5.78948662133487      0.35497975092169     10.03237285419077
  H   -6.68849630842469     -3.11963107144984      8.22363526143660
  H   -0.82428685610418     -3.61685553524953      6.52723864713716
  H   -1.39907527274715     -3.59184372332138      8.20900373765483
  H   -0.65160874826831     -2.15041507537776      7.50310891604439
  H   -3.07825487041576     -1.77164365107927      7.55447703329938
  H   -2.55672569921941     -1.91916616832152      5.87661039457455
  H   -4.68355115414070     -2.94782820084954      6.29781488119019
  H   -3.30493092129881     -4.86295128942268      8.25047720065281
  H   -4.45718393254698     -3.56273290972744      8.60016795680464
  H   -5.23815960970495     -5.54226025603951      6.58416755077906
  H   -6.96806448691983     -7.14257273599407      7.00212924902251
  H   -8.07302080574811     -8.59873045645958      8.67507022965614
  H   -7.63845423687963     -8.30562792066878     11.10465387248991
  H   -6.67108662001442     -7.35011043888901     12.99571211034959
  H   -4.91053965624111     -5.08056025234629     10.19654690074922
  N   -5.12964417905273     -2.56355275266144      3.63244023900317
  H   -4.67324120476841     -1.64002334821559      3.67309358808313
