76
Coordinates from ORCA-job /scratch/magstr/orcajob__5668077-LYRu/orca
  N   -2.84174769506879     -3.20824276741933      2.39616975851891
  C   -2.09761751379691     -3.99353089537981      1.40100608674667
  C   -1.67073673275270     -5.31484103703607      1.99055177663331
  N   -2.78885851825023     -5.87732570014867      2.78428384812641
  C   -3.91450750935494     -6.27346221199380      1.88116720972183
  C   -5.22075428364661     -6.09033930307147      2.61139403935108
  N   -5.25329023399765     -4.77997351504246      3.26769565875437
  Mo  -3.44514476922137     -4.20701817620270      4.16580499256282
  N   -2.38914604471934     -5.63133209464302      5.45324458165022
  C   -1.55511903311264     -6.60774050156393      4.75413579764329
  C   -2.33595508056884     -7.06370817504459      3.55288536576377
  H   -1.34851666686061     -7.47740439091542      5.39630995809616
  H   -0.57906038430793     -6.17524407229310      4.47009860921808
  H   -3.23258686517862     -7.60194438489915      3.88858255592130
  H   -1.74912921287632     -7.73181597975641      2.90070254975629
  H   -6.05667755005324     -6.23496649108647      1.91608995195243
  H   -5.33135656612804     -6.85376547336725      3.40535899291006
  H   -3.91798577178291     -5.62104664349675      1.00593691563384
  H   -3.76429654189921     -7.31331511660176      1.54974155655203
  H   -1.19486145089297     -3.45133353596935      1.07878256841347
  H   -2.72049614482227     -4.14286823400977      0.50327477765870
  H   -0.81308742611053     -5.17679183893629      2.66032181306410
  H   -1.37783765721098     -6.01938744160584      1.19257473353817
  C   -3.11069110787051     -1.93062295686213      2.02351099134604
  C   -2.75769434963655     -1.44621214126673      0.72647841650404
  C   -2.98362967759879     -0.15236321825103      0.29710212195791
  C   -2.62516133384640      0.15988247373743     -1.11682260444123
  O   -1.92654588225048     -0.57704090519554     -1.80195183197840
  C   -3.60519710613535      0.79810511074556      1.17473128955399
  C   -3.82220077415202      2.22018254332792      0.88405352326608
  O   -3.41973695661280      2.84117354997061     -0.09280338710291
  C   -3.99301221965385      0.34991157133293      2.42565287370092
  C   -3.77805219833757     -0.97004114273169      2.88251203113810
  C   -4.25408597343138     -1.27289093812046      4.17115721732871
  O   -4.18282256195729     -2.41889580047604      4.72918974546567
  C   -6.39821936217787     -4.03677002527705      3.14651915834499
  C   -6.88672850408198     -3.30695166116334      4.26145961916061
  C   -8.11356957052043     -2.65305698720457      4.27934636856086
  C   -8.42645974391418     -1.99587679410193      5.57028797368025
  O   -9.41779593375182     -1.33939158771144      5.84966205833455
  C   -8.95676893213591     -2.67585605574370      3.12508821943874
  C   -10.29270374304577     -2.05320834945261      3.04006481777366
  O   -11.00290601258910     -2.12866976428011      2.03885468462658
  C   -8.44844732481465     -3.30944705206355      1.99382323394483
  C   -7.19577646570360     -3.93917763180846      1.94145858625777
  C   -6.72707810620317     -4.19833594080443      0.57749591836186
  O   -5.58786261424827     -4.48748339615569      0.21561823343645
  C   -2.10035251698517     -5.42008316020879      6.75371173327518
  C   -0.89741826409294     -5.89681491882848      7.36042308664811
  C   -0.56889301809407     -5.62912998040340      8.67539145542950
  C   0.71340265723865     -6.21808206282117      9.17910706030070
  O   1.64224998471985     -6.50034228381046      8.43826558671823
  C   -1.46496899881892     -4.89909334067703      9.52169477330053
  C   -1.15370881209933     -4.49367059654722     10.89249090036474
  O   -0.06074918050244     -4.59258179422281     11.44136579391200
  C   -2.68582199832809     -4.51173914131821      8.98155608506205
  C   -3.01415347969067     -4.73194186919741      7.63544397060664
  C   -4.34129506191118     -4.46952543366641      7.19674325244555
  O   -4.72816428682525     -4.52378276761251      6.00875445635655
  H   -2.30923370158554     -2.10636700403324     -0.01220625601555
  H   -3.04375388682150      1.10012973679964     -1.52651056788710
  H   -4.40980004402045      2.74320431978975      1.68126642080480
  H   -4.48140108543326      1.05070007341036      3.10941639924466
  H   -4.75385427196508     -0.48473833190220      4.75202036508652
  H   -6.30578252119498     -3.33406321421313      5.17928306766866
  H   -7.61703047179840     -2.14384786559527      6.33141555353504
  H   -10.63208074990411     -1.50254708984561      3.93975456445316
  H   -9.04877287531526     -3.26013721831924      1.08049244389264
  H   -7.52291103941724     -4.02673623396498     -0.18759126146051
  H   -0.16486356966730     -6.45466765490208      6.77936132983259
  H   0.75648520330393     -6.42242124103462     10.26787679105698
  H   -2.02293962422944     -4.04498710246243     11.43570852319861
  H   -3.41460351054042     -4.00073170911896      9.61833786144724
  H   -5.10333384225587     -4.26323953931019      7.97285449146819
  N   -1.64805654395885     -3.26231686088572      4.76339167229220
  N   -0.75085638252275     -2.66062363505828      5.05808309011425
