107
Coordinates from ORCA-job /scratch/magstr/orcajob__5658515-4aaE/orca
  N   -3.44121207977709     -3.69335877564458      2.63548567277807
  C   -2.98654464377162     -4.52383981738361      1.51910989889836
  C   -2.67537210041197     -5.92659158742153      2.02676834023581
  N   -3.72698811673634     -6.35443441691261      2.98122470641786
  C   -5.01457621473082     -6.66612838924528      2.30534116883579
  C   -6.18058383051794     -6.53183794584474      3.27875125271552
  N   -5.98261404910749     -5.34995392677513      4.13184505569433
  Mo  -4.12082572459734     -4.64548482842906      4.25627281138393
  N   -2.89338721435524     -5.66046325357704      5.48594519362943
  C   -2.36859995116020     -6.92510931221147      4.97213182886623
  C   -3.28494403278385     -7.45496104596641      3.87447253366282
  H   -2.31455026245335     -7.70346010528110      5.75712215565788
  H   -1.33531744547450     -6.80823974026353      4.58685399888929
  H   -4.19195599855852     -7.87007267119526      4.33566144735383
  H   -2.79766342943026     -8.25797824661335      3.29105455846053
  H   -7.10021302169393     -6.46434283812046      2.66904258858550
  H   -6.28388088075816     -7.46173478395847      3.87565944371417
  H   -5.13322189023001     -5.92810316654069      1.50033574836574
  H   -4.98847825110162     -7.67391257205791      1.84910213014795
  H   -2.07056330795218     -4.11860731428934      1.04978674723466
  H   -3.74068226438005     -4.58144820901800      0.70598086151561
  H   -1.72945173405172     -5.91501801979984      2.58547258347138
  H   -2.57834536839022     -6.64238522106725      1.18759586618673
  C   -2.26989562245636     -0.10646400130251      2.11304969655016
  C   -2.38111807922937     -1.59129894037816      1.76454889558730
  C   -3.66050377310288     -2.28693983179530      2.29100974480820
  C   -4.85510971831824     -2.14685580753481      1.32739227816525
  N   -5.30669791274651     -0.77382222082658      1.21421733711979
  C   -6.34060565375643     -0.40686860901606      0.37404905087011
  C   -6.87404773064744     -1.28279583498873     -0.59421234550115
  C   -7.89896564831859     -0.84483191798230     -1.43409918428034
  C   -8.42801602142432      0.44108525380255     -1.33921287752546
  C   -7.90438088074158      1.31182392562095     -0.36875909686131
  S   -8.52104878119467      2.95948813906962     -0.13584863312945
  C   -6.87206560115903      0.89630442183199      0.47091374216972
  C   -9.45257107289329     -5.31026082610108      5.88280793871428
  C   -8.34180010129105     -5.82834760289873      4.96889135630567
  C   -7.18873905231101     -4.82290365007088      4.79776801413686
  C   -7.68066346709254     -3.50638797653769      4.13670760364899
  N   -7.78097216326124     -2.43978630899852      5.13207124741934
  C   -8.30697734529586     -1.19083280495205      4.80317625842165
  C   -8.42166875976331     -0.75237596067939      3.47095041196515
  C   -8.91911349965084      0.52556569035786      3.20780649999785
  C   -9.30257548815091      1.38732879752466      4.23276711931919
  C   -9.18794029094181      0.95123485494815      5.56309495315033
  S   -9.65095133228755      1.96747570385997      6.94098538370765
  C   -8.69690877449919     -0.32491381012418      5.84355934896744
  C   -0.13693189659756     -6.51513226700943      7.37004609599190
  C   -0.83337639613476     -5.22468237252552      6.92829862625389
  C   -2.37624199632852     -5.23767697413877      6.78749371163573
  C   -3.05176768195613     -5.99655038418578      7.94320098106141
  N   -4.49049697396057     -5.85545614532257      7.81790343677070
  C   -5.36392872241363     -6.47737457168846      8.69269715730206
  C   -6.72491239033967     -6.60866630101624      8.33845048722870
  C   -7.62913041164445     -7.18247019521779      9.22248590926147
  C   -7.22423276040295     -7.64498006461926     10.47910659000795
  C   -5.87454756097990     -7.52671454408606     10.83257967885730
  S   -5.24883664949078     -8.08482501523246     12.39624001093335
  C   -4.94790613293413     -6.95566054472988      9.94945278330956
  H   -1.29315786076518      0.29554261662321      1.80625297321763
  H   -2.36422397182446      0.04723068625324      3.19923570718551
  H   -3.04642058639439      0.48945439091407      1.61499224309134
  H   -1.52120303618016     -2.12412507177763      2.19813357029025
  H   -2.31243168398397     -1.72001445091904      0.67149983667222
  H   -3.94475632173398     -1.78711698706569      3.23594993979924
  H   -4.55809846289948     -2.49916984395803      0.32636296912194
  H   -5.66492744660812     -2.81899196794308      1.67956914264139
  H   -5.24906442870996     -0.23335609612899      2.07404410574043
  H   -6.49677452050778     -2.30020525959820     -0.68509577349020
  H   -8.30415190307832     -1.53224200064551     -2.17963188349519
  H   -9.23314250553514      0.76219935508139     -2.00051501734669
  H   -9.51159875369450      2.88216821385647     -1.05367893331293
  H   -6.47325535648399      1.57584719792356      1.22803805436405
  H   -10.24225983655459     -6.06406919823389      6.01124678829122
  H   -9.92821527595377     -4.40529084447053      5.47523346403005
  H   -9.06351581853062     -5.06414384466716      6.88380702575185
  H   -8.76945569604963     -6.07941627978139      3.98524386616738
  H   -7.93626274090526     -6.76613644724729      5.38095744609586
  H   -6.87811793893962     -4.54466141835590      5.82308069332170
  H   -8.64640271176414     -3.65300830445846      3.60925862305578
  H   -6.93738228854681     -3.21444602505566      3.38068487308028
  H   -8.09431330987568     -2.77431209964912      6.04216080314493
  H   -8.13325979084280     -1.40010796661830      2.64412084999095
  H   -9.00923739636163      0.85590994637698      2.17226189517157
  H   -9.68878225539176      2.38101734264737      4.00324618561469
  H   -10.04596337413859      3.03596145543372      6.21196337767637
  H   -8.60783429963023     -0.66313550778967      6.87953516373584
  H   -0.30775763039863     -7.35006148728805      6.67764032886903
  H   -0.46718352553827     -6.83785652435655      8.36820484654611
  H   0.94951443430324     -6.35212981920353      7.42571894904055
  H   -0.58336221907602     -4.43530882743101      7.65786333116202
  H   -0.41809572805786     -4.88605407314768      5.96692173076839
  H   -2.68975783069204     -4.18734923663646      6.89311995051912
  H   -2.75066307433578     -7.06277743545115      7.94463267846230
  H   -2.71196584561845     -5.56321840226480      8.89830751809596
  H   -4.77469869566074     -5.88182258559934      6.83228494241212
  H   -7.05290545869200     -6.25145417347466      7.36241796530215
  H   -8.67759261806895     -7.27560203220546      8.93081649860258
  H   -7.94446371928058     -8.08966296548157     11.16622994788209
  H   -6.42434980234545     -8.55704427977451     12.86992547727002
  H   -3.90093203282967     -6.87972425713332     10.24379016931386
  N   -4.71652626590304     -2.96717159244797      5.70223503567989
  H   -4.76920649700528     -3.36964917627845      6.64607256858756
  H   -5.64635870975966     -2.55184132060478      5.53220663222306
  H   -4.03318744350185     -2.20127590905497      5.75994321908657
  N   -1.89502907491209     -2.27541375744423      5.18810267560065
  N   -0.80503653459780     -2.29497685090574      4.95199873992343
