92
Coordinates from ORCA-job /scratch/magstr/orcajob__5661746-rdS5/orca
  N   -2.45217620358419     -3.89237755547627      2.88463077740291
  C   -2.14373900433538     -4.78903143971810      1.76588049209836
  C   -1.95823893001997     -6.19879649287818      2.30453370263577
  N   -3.08045309492147     -6.52155211761941      3.22859156363067
  C   -4.29863599090912     -6.95781909711161      2.50062599173326
  C   -5.50958842140396     -6.68700360662646      3.37402958426316
  N   -5.39745531991730     -5.32217326218647      3.89266812501932
  Mo  -3.61262178126634     -4.59476681897933      4.31048051959224
  N   -2.59414331872936     -5.54183183231092      5.68835715261618
  C   -1.90935890936484     -6.79331568350674      5.36119697207560
  C   -2.68768644065683     -7.50541525663030      4.27285609909562
  H   -1.83542943834837     -7.45368060165957      6.23899396458494
  H   -0.87221422024345     -6.59404109872887      5.03327601895494
  H   -3.61042333311233     -7.92178425964199      4.69894286827678
  H   -2.11081350333950     -8.33324570839435      3.82809519094272
  H   -6.41687549580105     -6.81778727488696      2.76796633776708
  H   -5.57649456414756     -7.42281546626466      4.19644778022103
  H   -4.37022092890164     -6.35394141432236      1.58572492789827
  H   -4.22179885608049     -8.02047568646102      2.21420845462956
  H   -1.22124840450622     -4.48071220380118      1.25641632886932
  H   -2.94775893000881     -4.76253248680555      1.00762738149176
  H   -1.02763144544920     -6.23970591975804      2.88653885818800
  H   -1.89662559926422     -6.94934157810731      1.49863880507715
  C   0.29061984580259     -2.41639949706236      1.56329648603051
  N   -0.50978030545102     -2.35952979777166      2.77949694560409
  C   -1.95220416849031     -2.49210223783681      2.78903088369751
  C   -2.61618498765322     -1.71674322224290      1.63483270555542
  C   -4.08934107511395     -1.53201602172532      1.88338373551822
  C   -4.53929745795032     -0.52998881416061      2.75602732181981
  C   -5.89871909252744     -0.38208992860561      3.03927867739355
  C   -6.83586843274200     -1.23223798671842      2.44478471251244
  C   -6.40014740251436     -2.22095678403193      1.56064884532142
  C   -5.03925844473465     -2.37142429823929      1.28732608922188
  C   -6.89932411429298     -6.07677547203343      6.32447867329097
  N   -6.92007506788884     -4.74841348333661      5.73573685652702
  C   -6.65747795903728     -4.61479173846912      4.31639215280352
  C   -7.87955583869030     -5.01257950613662      3.46765228474018
  C   -8.96734936973008     -3.96121529402817      3.41140043544754
  C   -9.58797885471443     -3.69835085378907      2.18091131340408
  C   -10.58148417738598     -2.72518995435628      2.06558177321703
  C   -10.97427329943690     -1.99224482793531      3.18777943188451
  C   -10.37211044633134     -2.25176022051433      4.42078884891200
  C   -9.38136652505422     -3.22974091576143      4.53384935077645
  C   -3.26565920582022     -6.64497108615957      8.38398250886812
  N   -3.04991728134347     -5.23781843189351      8.08926309705346
  C   -2.20684172216374     -4.87130568068180      6.97366328659090
  C   -0.70552915977923     -5.04324140662415      7.29343838396862
  C   -0.23737382559429     -4.00945762126756      8.28380630425947
  C   -0.19551651952573     -4.28244342788201      9.65639227579970
  C   0.20353727662483     -3.30159959516591     10.56654167926381
  C   0.56359190408466     -2.02978495574528     10.11497399846945
  C   0.52619527445987     -1.74570463370329      8.74757097987084
  C   0.12903727898533     -2.73019744016511      7.84136234063826
  H   0.41961450365831     -3.42081854846932      1.11576273325909
  H   1.29440085509410     -2.02995487469705      1.79034623301880
  H   -0.14164416858054     -1.76049410011431      0.79693635924707
  H   -0.09392084647756     -2.89113763996648      3.54302662569180
  H   -2.29529737064284     -2.02854722564718      3.72611723950666
  H   -2.45129049395613     -2.23541953220342      0.67908812461838
  H   -2.11972543386761     -0.73686897723979      1.56719446108052
  H   -3.81250648559269      0.14996819070528      3.20963113986975
  H   -6.23069105101280      0.40815668004033      3.71526229002705
  H   -7.89947972975969     -1.12354210497650      2.66220075770112
  H   -7.12867952543203     -2.87827578952755      1.08438180490163
  H   -4.70954184109655     -3.14331700830570      0.58741789759079
  H   -7.21094212404254     -6.00636639080157      7.37503857830892
  H   -7.61431759213385     -6.73230151635574      5.80738274797835
  H   -5.90284696508853     -6.56140925334500      6.29438497499419
  H   -6.35430436171309     -4.08861982801769      6.27104432681457
  H   -6.47718522878447     -3.54733681748410      4.13648319782045
  H   -7.54594639822353     -5.19339028008691      2.43549446178951
  H   -8.29297369226479     -5.96640648073898      3.83605947723523
  H   -9.28058419703589     -4.26204490900596      1.29600805184021
  H   -11.04552744630780     -2.53563388788423      1.09610099566856
  H   -11.74660822152138     -1.22631419696967      3.10182400443542
  H   -10.67642786848186     -1.68888819287595      5.30520923756665
  H   -8.91367776681088     -3.42935860989532      5.49871543895997
  H   -2.30696338630026     -7.14372950039904      8.58602212281084
  H   -3.78469277655975     -7.19947479680951      7.57700409368031
  H   -3.87617727831797     -6.72495826755671      9.29300812110189
  H   -3.93166667105666     -4.72653196518211      8.05808296055401
  H   -2.37192063667849     -3.79779478530877      6.81949980698981
  H   -0.14263344305322     -4.93069614557990      6.35442026543470
  H   -0.50770950107021     -6.05583922121272      7.67396318100065
  H   -0.47860589529396     -5.27426907215130     10.01564803459889
  H   0.23461355885264     -3.53158421370719     11.63293354136943
  H   0.87809413799694     -1.26394961651344     10.82562517277863
  H   0.81451059307334     -0.75718931629725      8.38569743350813
  H   0.10952142248213     -2.50477162143937      6.77091831597485
  N   -4.13595113452084     -3.08632641717208      5.20408791348228
  N   -4.63129285548001     -2.17242904033912      5.86326105202276
  H   -4.30952239567696     -1.23179273054815      5.55581254924101
