105
Coordinates from ORCA-job /scratch/magstr/orcajob__5658525-sv9A/orca
  N   -3.30657970799774     -3.92793076588784      2.45517620197495
  C   -2.90135922492861     -4.95068759825824      1.48333816327863
  C   -2.57817579744775     -6.23882948903723      2.20838063533388
  N   -3.68311595596616     -6.55678105165057      3.14382972760392
  C   -4.89347610050764     -7.06419208754073      2.46256876537150
  C   -6.11205102822777     -6.83604811045256      3.34432185271887
  N   -5.99690154671755     -5.56632901396774      4.07350259461104
  Mo  -4.27315647926426     -4.60195182179863      4.06906396336588
  N   -2.99962547623756     -5.27241336648507      5.44465754328207
  C   -2.46057058420214     -6.62484715463296      5.28572448020805
  C   -3.25448079366076     -7.42433431478693      4.26579611446544
  H   -2.49658173050055     -7.16580326054810      6.24526070864592
  H   -1.39523117238707     -6.57070364320222      4.99630853054847
  H   -4.16599753805446     -7.82495778905333      4.72987902681876
  H   -2.66556454197353     -8.27706431728491      3.88584436413952
  H   -7.00803253479808     -6.83015574087724      2.70191389646737
  H   -6.23610157154490     -7.67742079914197      4.04464237832343
  H   -4.99653817967176     -6.50790877786141      1.52070725730850
  H   -4.77333176122502     -8.13314770120329      2.21697356700340
  H   -2.00159270633640     -4.63887310481404      0.92843724941232
  H   -3.68941467197846     -5.10619631192410      0.72199530992223
  H   -1.67551385880206     -6.10171586576053      2.82073642875471
  H   -2.39422047907285     -7.06971014645809      1.50683409910429
  C   -3.01511792376317     -0.70631924068095      0.37433901461673
  C   -2.92463946735173     -2.21165902187680      0.63386870293210
  C   -3.80198063674287     -2.67502634259622      1.81382718834488
  C   -5.32413305486682     -2.80251104031572      1.43416107314770
  N   -6.24251078726448     -1.80106207176023      1.93508813381964
  C   -6.42615246114809     -0.54271215213937      1.34406757520947
  C   -6.56906986239190     -0.40204063970572     -0.05760424988563
  C   -6.81469078246928      0.85809939253615     -0.60362910334868
  C   -6.95082395957376      1.99059687741624      0.21369219566772
  C   -6.83264479428224      1.85071593130183      1.61429970943313
  S   -7.01590361845308      3.22076306047471      2.73823854432256
  C   -6.56164107697638      0.59479317745678      2.17400255707523
  C   -9.18523753589841     -6.02250532562078      6.24781035809589
  C   -8.12330418167587     -6.38548612173556      5.20846738884430
  C   -7.16447086294115     -5.21115956550596      4.96057451471570
  C   -7.91381054186406     -3.93618562927997      4.50174414890618
  N   -7.88624618822167     -2.87623894117220      5.53294422910867
  C   -8.23202429146084     -1.55226355437938      5.16013536857143
  C   -9.04169342297030     -1.38251919872757      4.02430067829321
  C   -9.42811890200557     -0.09596237327469      3.68877736011757
  C   -9.05653717034799      0.99970911658015      4.46277403347730
  C   -8.27508821926565      0.80847015527291      5.59647778200591
  S   -7.77740215479568      2.11558005670211      6.66059288326369
  C   -7.81765579993569     -0.47564980214013      5.91032504509284
  C   -0.45518764948959     -5.78859013637858      7.73293600014590
  C   -1.01231279430034     -4.63635107569019      6.89926934181589
  C   -2.53479415517279     -4.55025881642907      6.65726648927343
  C   -3.36703917431009     -4.91158487087056      7.92254455829801
  N   -4.79669965828121     -4.94706170775417      7.54329087642247
  C   -5.62600466452885     -5.96614002517014      8.11054555284658
  C   -5.55140987837588     -7.30255357094373      7.68295108876982
  C   -6.42915730143753     -8.25161591893741      8.20814625277341
  C   -7.38411784382534     -7.88925506156440      9.15702506240274
  C   -7.45932615978850     -6.55696193378495      9.59555661564722
  S   -8.67953718865006     -5.98666187136821     10.74013341810842
  C   -6.57213350465847     -5.60476097262382      9.07410466166488
  H   -2.34028613738375     -0.41081754021846     -0.44521594144898
  H   -2.72326290439742     -0.13796252869148      1.27103457384630
  H   -4.03437600090652     -0.39623092026108      0.09591739088192
  H   -1.87402302645419     -2.46787943507574      0.85456119252066
  H   -3.20116751730624     -2.76197155779227     -0.28138710276135
  H   -3.72723754578935     -1.90444374687081      2.59982383519317
  H   -5.46151326675674     -2.90927675911731      0.34664556770588
  H   -5.66637596775741     -3.76640906947412      1.85656714365992
  H   -6.20083549339103     -1.71844570924121      2.95161490581940
  H   -6.49280718189031     -1.27262752805433     -0.71913279513382
  H   -6.91961803947966      0.95934133684172     -1.69222507177066
  H   -7.15466940457189      2.96641244663698     -0.23110786451395
  H   -7.17543287434614      4.16624975836981      1.78245397177050
  H   -6.49134944226109      0.48877022512106      3.26794843902648
  H   -9.77147440328059     -6.91375491293933      6.51251771339978
  H   -9.89110288800250     -5.25867371762959      5.89233117816421
  H   -8.70729053637879     -5.65090921596768      7.16979164015528
  H   -8.59179822814965     -6.71953011093698      4.26852619779808
  H   -7.54371489787209     -7.22922987294469      5.60975364016715
  H   -6.74842821261533     -5.00110054319290      5.95955885265184
  H   -8.97061421874727     -4.16951320303823      4.31331702243001
  H   -7.48007239288567     -3.60114079203580      3.54335379883160
  H   -7.03742461961530     -2.96025069165503      6.09510093809064
  H   -9.35186959068963     -2.22069851965485      3.42621616923004
  H   -10.03458953674450      0.06769770345676      2.80493940788478
  H   -9.37745107685162      1.99756208308482      4.18936713043328
  H   -8.42169166858556      3.09742979688638      6.00464233337565
  H   -7.21960886530212     -0.64126947383321      6.80466462502660
  H   -0.71277597508827     -6.78051886967675      7.34268612992219
  H   -0.80161548943686     -5.74431500273404      8.77025166911929
  H   0.63851071770216     -5.72178925747501      7.75482725253281
  H   -0.72729757862978     -3.69604513177073      7.39566680837703
  H   -0.52074776325074     -4.59827634423508      5.91749000162292
  H   -2.73106336613890     -3.49043255642544      6.44306021017633
  H   -3.03443128033068     -5.86717097355780      8.36800998512928
  H   -3.18192759370010     -4.11534708243475      8.66106902893662
  H   -4.67813388228479     -5.16912604532766      6.54726022648093
  H   -4.81056044544191     -7.59127698751744      6.93477478103559
  H   -6.37545400637369     -9.29021417798984      7.87118721202726
  H   -8.07307510577883     -8.63795649825571      9.55092810070175
  H   -9.23696154904864     -7.19674759812609     10.97660377825738
  H   -6.63324545422215     -4.55835179427858      9.38271682945274
  N   -4.64600632739447     -3.04139038248541      4.76797114000139
  N   -4.94682136724240     -1.91126166273586      5.31881607301413
  H   -4.23347918950650     -1.27948543106391      5.66793583067491
  H   -5.94046729443209     -1.75485925836858      5.45194014144318
