104
Coordinates from ORCA-job /scratch/magstr/orcajob__5658519-5GYn/orca
  N   -3.22651782182257     -3.85853534161072      2.37661509204407
  C   -2.66478668289259     -4.86739472235395      1.41613023320283
  C   -2.37775325442975     -6.16625615025388      2.19363294405698
  N   -3.58445876449942     -6.49703311391278      3.04098980045695
  C   -4.71516091406250     -7.04795783451643      2.22208063097385
  C   -6.02000550039310     -6.91436021693477      3.02203980775233
  N   -6.01477051110997     -5.64944882019417      3.81606123022124
  Mo  -4.33582040311804     -4.50031292564019      3.93278678691461
  N   -3.11910768637257     -5.11986950932731      5.39726768026262
  C   -2.53382854296459     -6.50514670847639      5.32241431272437
  C   -3.24836125201263     -7.35200066207046      4.24298958776138
  H   -2.62954363418371     -7.02528722143707      6.29052435973621
  H   -1.45211330510520     -6.43429111884656      5.11135439538951
  H   -4.19665105947451     -7.73242239894331      4.64498083795353
  H   -2.63092907943338     -8.21758874120047      3.94906228468780
  H   -6.87370246754676     -6.94061648240922      2.32431350059132
  H   -6.13759008471491     -7.78662525167132      3.68755281181759
  H   -4.76828253776774     -6.45352865602630      1.30041914556239
  H   -4.52151146554024     -8.09727140646750      1.94139426238298
  H   -1.72868991576801     -4.50524971578934      0.96183204118694
  H   -3.36723513104982     -5.05086212517769      0.58181044999332
  H   -1.53223495185771     -6.00232201154774      2.87536646530517
  H   -2.12442577165848     -7.00350118093626      1.52260484710916
  C   -3.13273062814675     -0.56044611220164      0.34812972596485
  C   -2.91148342508379     -2.04873411801385      0.61457109474531
  C   -3.78982150426481     -2.59464816045271      1.75253743588744
  C   -5.30007156377266     -2.87651336778998      1.37253781746613
  N   -6.30043370963098     -1.89716450092796      1.71847913818886
  C   -6.59321454693047     -0.76861167415795      0.94392058747689
  C   -6.68932398628040     -0.82588223449833     -0.45783167311031
  C   -7.05091718610798      0.31862353222545     -1.16671559628275
  C   -7.34043113351799      1.51998834494142     -0.51856984698874
  C   -7.25445816345967      1.57444980316290      0.88045784345133
  S   -7.60963534987147      3.03636005829173      1.81336740514545
  C   -6.86660121632642      0.43992875522620      1.60158258661505
  C   -9.24551761686682     -6.36086380377705      5.92773415649263
  C   -8.21717121939757     -6.59703107996002      4.81547429457531
  C   -7.18311011946512     -5.45942922962499      4.77274576153844
  C   -7.85391642963468     -4.08790470578754      4.54256199282382
  N   -7.81877237846591     -3.31093888717903      5.77786165543241
  C   -7.89594439455473     -1.92474075748620      5.71915676148994
  C   -8.54838713988996     -1.24932788943253      4.66804323949833
  C   -8.59529718655336      0.14678258690202      4.67266070483702
  C   -7.99247263946293      0.89535315273096      5.68100148385816
  C   -7.32917458988130      0.22441281017403      6.72345658352579
  S   -6.50630314128282      1.08251249678010      8.03590125957238
  C   -7.28317550291849     -1.17164932303869      6.74253198489055
  C   -0.63469902013901     -5.39186695936257      7.79300953543636
  C   -1.18914848768564     -4.29358682293606      6.88327971764567
  C   -2.70399034554907     -4.28092412521505      6.57860157106735
  C   -3.59635288786609     -4.58255882925474      7.81789232205527
  N   -4.99612047050697     -4.74029476845584      7.34427783162153
  C   -5.82084741608793     -5.66985382073413      8.05885057352932
  C   -5.71960992733283     -7.05246179132149      7.84307564722642
  C   -6.60706201096122     -7.91929081763164      8.48221964715927
  C   -7.59479167064504     -7.42745265735524      9.33240828343596
  C   -7.69750893772222     -6.04535019848492      9.55151818982575
  S   -8.96676405033860     -5.32216816752774     10.53819022868639
  C   -6.79771506046298     -5.17246909616433      8.92183537986270
  H   -2.44884590878678     -0.20887611616044     -0.43643829721567
  H   -2.93905754869795      0.03175716519837      1.25467454666922
  H   -4.15759440462325     -0.34587493846536      0.01833048550525
  H   -1.85746946871396     -2.20625360777056      0.89110727663359
  H   -3.08914860633678     -2.62699340093657     -0.30658330117834
  H   -3.79655273882482     -1.82849174263562      2.54377009171449
  H   -5.41244185093390     -3.10231974802333      0.30062221625988
  H   -5.57618140608554     -3.84386092145947      1.85677619133664
  H   -6.37916766900692     -1.69657375967966      2.71291116104260
  H   -6.49742774477450     -1.75725565859502     -0.99091240461065
  H   -7.12405012223494      0.27039932423725     -2.25459281633260
  H   -7.63334915397967      2.39949317224720     -1.09219789516457
  H   -7.90328021482674      3.82584253845073      0.75491433162753
  H   -6.78587741070230      0.48487646707944      2.69171123245977
  H   -9.91275024881629     -7.22918169857106      6.01266270482066
  H   -9.86899771043038     -5.47753521119922      5.73634026942451
  H   -8.75547398994159     -6.21274990869132      6.90485345351008
  H   -8.71963579334535     -6.70009503755016      3.84049598038686
  H   -7.70958262062145     -7.55021176438367      5.02356682776305
  H   -6.75610250056215     -5.45325267726749      5.78740976229056
  H   -8.89175807193956     -4.21568736078729      4.19488439996943
  H   -7.32472908099019     -3.56425922628444      3.72827665952222
  H   -7.07226919962611     -3.62495657717474      6.40053341908890
  H   -9.02952151924466     -1.80982201685980      3.86696694350808
  H   -9.10816487543087      0.66595519249067      3.86083235476739
  H   -8.03408492717757      1.98451226274867      5.65932491800108
  H   -6.82865973382633      2.33062034103354      7.62676682752957
  H   -6.75661965902745     -1.69778603601637      7.54789257997325
  H   -0.84587549342361     -6.40593992222770      7.42920213361394
  H   -1.03341044276165     -5.31375665596355      8.81341849707862
  H   0.45737461879069     -5.29132752502627      7.86359697167969
  H   -0.96101945275060     -3.31984809630345      7.34478469569238
  H   -0.65746399009548     -4.28937405930652      5.91857836301443
  H   -2.92591368166558     -3.24807412591448      6.27951935676385
  H   -3.25328450123273     -5.48242404749017      8.35464572195863
  H   -3.52112536009604     -3.72303241939826      8.50312824246229
  H   -4.80573172330717     -5.14515686306134      6.41380775575146
  H   -4.95697366655665     -7.44600951315243      7.16772586474523
  H   -6.53461483985159     -8.99496683926200      8.31276520639301
  H   -8.29409226781482     -8.11297019100851      9.81248361731116
  H   -9.51986275815901     -6.48459159327729     10.95429470566111
  H   -6.88033267701615     -4.09310898548841      9.06311143220874
  N   -4.98990437247909     -2.86224026661781      4.76883558056572
  H   -5.39736513275707     -2.01226845618624      4.35786395522776
  H   -5.00565228447211     -2.72981082120833      5.79390014783542
