127
Coordinates from ORCA-job /scratch/magstr/orcajob__5658511-VHqe/orca
  N   -3.36929003095690     -3.69887412872285      2.43501982997143
  C   -3.37845775542178     -4.82571611104294      1.50005877031222
  C   -3.63254360255532     -6.10313565890546      2.28473253671667
  N   -4.75979005229947     -5.87258153782423      3.21439521979477
  C   -6.06129590047593     -5.88567645246489      2.51211319289880
  C   -7.08767475285714     -5.11924295455488      3.32267113182437
  N   -6.49923977169636     -3.89030701976474      3.85854450476093
  Mo  -4.51909811834720     -3.73102625718268      4.04788885885714
  N   -3.72134463722148     -4.78507180804481      5.48677401349811
  C   -3.67523182241776     -6.24543695292155      5.39176793327610
  C   -4.72574225673755     -6.74649997960572      4.40844796233513
  H   -3.88939295710019     -6.70080087288734      6.37193368981428
  H   -2.66491728936511     -6.58733074754138      5.09890110166562
  H   -5.71591988146110     -6.69260056990652      4.88052746661674
  H   -4.54128752976666     -7.79831972252388      4.12743242708673
  H   -7.95510597119364     -4.90036714094838      2.67762667943086
  H   -7.47127272908708     -5.75201271476553      4.14459910001441
  H   -5.91213255266469     -5.38980764301602      1.54344747515595
  H   -6.39753262521606     -6.91905473884576      2.31609884482528
  H   -2.41153150427050     -4.92158240651453      0.98337847662634
  H   -4.13860058706062     -4.68730694544137      0.70875266534451
  H   -2.74489910171797     -6.33506139522895      2.88873122170977
  H   -3.83785955693433     -6.96380151904806      1.62388561739141
  C   -1.05359577758677     -2.94296911189024      1.80341322344455
  C   -2.51383472421815     -2.55603090909846      2.05629547134895
  C   -3.14053324656441     -1.78510263513836      0.88162391782659
  C   -2.49946944734253     -0.41245939125992      0.61829128014811
  C   -3.34731701288845      0.43042740964016     -0.29792395268989
  C   -4.26405659300707      1.35671037086535      0.21755351486580
  C   -5.09886909205649      2.09395382030554     -0.62007413006926
  C   -5.04855258399530      1.93061824457889     -2.01525117620828
  C   -5.93229223546940      2.71107347496770     -2.90877771050036
  C   -5.48448442314396      3.14508833736308     -4.16891541037689
  C   -6.31763907573380      3.88235040832957     -5.00961554566913
  C   -7.61779537454089      4.20090210062304     -4.60991148769337
  C   -8.07684428161225      3.77576186367195     -3.36083068171013
  C   -7.24292032482701      3.03990243555610     -2.51969775052830
  C   -4.12291211903923      1.00603849036920     -2.53118616075248
  C   -3.29003010017305      0.27241865248275     -1.68939754919110
  C   -8.54223671540383     -2.46279636982146      3.67675490675147
  C   -7.47617795861150     -3.05484491437946      4.60578325571825
  C   -8.12320711323230     -3.78998211362216      5.79433657868246
  C   -7.09179586780787     -4.27166486067830      6.82206917068571
  C   -7.62019189489872     -5.25951744458687      7.82709300866364
  C   -7.93985919664748     -6.56798478057032      7.43413859255085
  C   -8.41821688828167     -7.50101254502069      8.34913000257731
  C   -8.59387466454751     -7.16396439935340      9.70320844002597
  C   -9.08395857477963     -8.16207858747089     10.67777286642016
  C   -8.75203824576332     -9.52236287839331     10.54572034530825
  C   -9.22351622220263    -10.46783222995169     11.45590596748262
  C   -10.03775280630562    -10.07348738278090     12.51977001778215
  C   -10.36872701229918     -8.72477728693622     12.66841201271133
  C   -9.89665698102486     -7.78037421141498     11.75908899030580
  C   -8.27287806685669     -5.85432734095876     10.09625139809306
  C   -7.79581388958717     -4.92269670811996      9.17505424364133
  C   -1.47523459591008     -4.38618364009282      6.49912715465717
  C   -2.98756243187302     -4.18011052879517      6.62179585541665
  C   -3.56850250809059     -4.59956910515871      7.99616719978441
  C   -2.90570822265295     -5.76647746054398      8.75453307430362
  C   -3.74648448998830     -6.15414332345855      9.94443355738282
  C   -3.82167537045807     -5.32725424575042     11.07457491131569
  C   -4.66387800181802     -5.63884321133263     12.13882617785628
  C   -5.46213134278041     -6.79615126062481     12.11800011405130
  C   -6.37474923299921     -7.11470374457974     13.23693775115669
  C   -6.60591447313417     -8.44491154418465     13.62730351950913
  C   -7.46076415171805     -8.74145924588438     14.68696590183526
  C   -8.10750240246965     -7.71534654325478     15.37960185081269
  C   -7.89493664496078     -6.38865843034265     14.99826718714599
  C   -7.03788050648169     -6.09215623896225     13.93863418777767
  C   -5.37008944736172     -7.63350399830816     10.99445273786093
  C   -4.53236143935845     -7.31326685904213      9.92798619038122
  H   -0.66611898729351     -3.55009966101983      2.63350878868070
  H   -0.43411505969953     -2.03887567092702      1.72748067097663
  H   -0.92557983142969     -3.50377189842356      0.86655630502700
  H   -2.50827823921954     -1.88854226981640      2.93327139648401
  H   -4.21346589800321     -1.64598777988342      1.10033616355226
  H   -3.09607835271883     -2.39326050891078     -0.03655786266931
  H   -1.49396472074678     -0.54443907276627      0.19110110178109
  H   -2.36353418913470      0.11775195354870      1.57830676483706
  H   -4.30610831536957      1.52639782536825      1.29818471512629
  H   -5.77791900736208      2.83262403214561     -0.19045141111840
  H   -4.46236945556081      2.92495668043465     -4.48221463676268
  H   -5.94619543212865      4.21777580879185     -5.97944891358658
  H   -8.26954926668660      4.77745991791931     -5.26805407865184
  H   -9.09378412265696      4.01209337413430     -3.04264571113381
  H   -7.62104239342464      2.69307361768136     -1.55606669416076
  H   -4.06883130937854      0.84744138682497     -3.60962120714350
  H   -2.58364279460572     -0.44111391130125     -2.12117058436411
  H   -9.23086947721143     -3.23032146969007      3.29623463682893
  H   -8.08077291667136     -1.96069031608481      2.81298687387887
  H   -9.14649925065497     -1.72549051731899      4.22425945878912
  H   -6.89058936525707     -2.22588713559761      5.03176880420203
  H   -8.72211401755825     -4.63917835165304      5.42955662826925
  H   -8.83935492578231     -3.10422653913803      6.27405629891649
  H   -6.66458081166034     -3.40033748930684      7.34389485001577
  H   -6.25610104402229     -4.73449530523330      6.27282503522316
  H   -7.81660940933186     -6.86166374784457      6.38723888744882
  H   -8.67661836544820     -8.50497614181237      8.00756888625427
  H   -8.09837633390558     -9.83912929333796      9.73068459084842
  H   -8.94713823106354    -11.51721140085130     11.33773938548070
  H   -10.40655008507851    -10.81216601746656     13.23319181659743
  H   -10.99893988299307     -8.40482391250071     13.49967965619859
  H   -10.17638841350874     -6.73222770848239     11.87691239124666
  H   -8.36035547206538     -5.57354441071690     11.14707046699908
  H   -7.53324643132595     -3.91767696481528      9.51482763675581
  H   -1.11592658638448     -3.99870126435374      5.53488425207611
  H   -0.95448320785229     -3.84462382296137      7.30196478099329
  H   -1.19023721934833     -5.44457737628296      6.57508610261545
  H   -3.18000248828607     -3.10204209001094      6.52106906705373
  H   -3.53281357814757     -3.71759605812054      8.65524447415170
  H   -4.63721228734729     -4.82254719916030      7.86530491480329
  H   -1.89752081862456     -5.46858520010811      9.08345152121509
  H   -2.77610371507976     -6.64602816716326      8.10701861628033
  H   -3.20398557652110     -4.42669019575148     11.12584457791879
  H   -4.68491117577249     -4.98767947368206     13.01475857667974
  H   -6.09342233571938     -9.25419715989885     13.10465126147056
  H   -7.62270589667658     -9.78161156014805     14.97427398877130
  H   -8.77742277021612     -7.94883251221092     16.20870162003638
  H   -8.40361888188695     -5.57933999439452     15.52539968906651
  H   -6.89304092613123     -5.05319312842064     13.63599259801673
  H   -5.99263751752470     -8.52788351594443     10.94001912124870
  H   -4.49670688906065     -7.97304650750659      9.05690233351993
  N   -4.38792718020573     -1.98679361526452      4.65709737625000
  N   -4.85606370858521     -0.77767171653351      3.91965193883106
  H   -4.06917928470112     -0.36230380410188      3.39509136709998
  H   -5.19198912455118     -0.07090622232990      4.58949998381473
  H   -5.61530126308761     -0.97568936688825      3.24168798643631
