77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670592-qSQ3/orca
  N   -3.45836803720665     -3.60607881063499      3.03159058404017
  C   -2.83221003322406     -4.37769694497496      1.95390829889279
  C   -2.35585718904804     -5.71644189628586      2.46379156813019
  N   -3.37071285858730     -6.30733469139001      3.38437508487699
  C   -4.62369806895492     -6.67774952040249      2.65321445420508
  C   -5.81712331117156     -6.38234103026116      3.54396739083492
  N   -5.60660309841228     -5.08047792010848      4.18489134004474
  Mo  -3.73089778615702     -4.66506125279164      4.92919202687041
  N   -2.58563804058594     -6.18311398338167      5.95040072456004
  C   -1.86170921947404     -7.12671150405587      5.10471252837571
  C   -2.81912096425069     -7.53561018713768      4.02499476999819
  H   -1.56531343807851     -8.01556462955859      5.68158842201198
  H   -0.93683028072624     -6.68776250697875      4.68796489773456
  H   -3.66044419659005     -8.08163336847582      4.47119610280482
  H   -2.34977865520507     -8.17055455145795      3.25727682763397
  H   -6.74588416400518     -6.40242239679843      2.95361671611759
  H   -5.91589940428452     -7.15821700355918      4.32410573019784
  H   -4.67379950442396     -6.09256979564963      1.72939408889636
  H   -4.57807197682309     -7.73939018576363      2.36855681893671
  H   -1.96523131044950     -3.83861027065442      1.53664037699896
  H   -3.54250757301562     -4.50946694127827      1.11866754995244
  H   -1.42658067473256     -5.59747082245384      3.03279442741289
  H   -2.16669230862724     -6.40767167930052      1.62658309480097
  C   -3.88393789478676     -2.37396437384018      2.69496180370671
  C   -3.77624918940032     -1.87732553333675      1.36020958745733
  C   -4.28209896550519     -0.65066754326020      0.97720012565875
  Cl  -4.12913553884079     -0.25150183559274     -0.69077027075236
  C   -4.91252083095534      0.24589052549410      1.90317736825979
  C   -5.53844534082875      1.53185597477588      1.54083116697246
  O   -5.61774555851830      1.99367874381626      0.40689269073365
  C   -6.12845919616573      2.46484073538517      2.61631341321190
  O   -5.68418871315137      2.63457637783966      3.73347648437541
  C   -4.97164230716531     -0.19764718624190      3.21461387264913
  C   -4.49629472368519     -1.45792159418296      3.63845332739232
  C   -4.69862859640669     -1.75454301694400      4.99183590736406
  O   -4.47727755458387     -2.86967969633053      5.56249034198849
  C   -6.66726398829028     -4.15176607294618      4.12217547687112
  C   -7.24493416324876     -3.75157617720031      5.33834004963516
  C   -8.21140309052133     -2.75096212999477      5.39110077693558
  Cl  -8.80490996730476     -2.30021949723631      6.94938153442418
  C   -8.63219637651017     -2.08924738579551      4.21453433701073
  C   -9.59989124782598     -0.96481606423872      4.19027773870067
  O   -10.54055376048323     -0.81156350202366      4.95372679393705
  C   -9.34352892102499      0.18520170395385      3.19298102799126
  O   -8.23835107446968      0.46861264224112      2.77778410243719
  C   -8.08694642530574     -2.52313607508801      3.00521163324265
  C   -7.13878517960931     -3.54703717487072      2.92388983671679
  C   -6.59449766161689     -3.85965775485861      1.59066155376429
  O   -6.98926710302697     -3.36174486254901      0.54766058020119
  C   -2.11089993153847     -6.03031770918296      7.21593275330361
  C   -0.83959283528063     -6.52134637813282      7.61248653879968
  C   -0.37314519669367     -6.37826518718494      8.91055003061389
  Cl  1.23914078074502     -6.90532428482052      9.21305273456508
  C   -1.15603619962028     -5.77319731057500      9.93857199486183
  C   -0.73292346036259     -5.68031036484573     11.35212166944159
  O   0.07919297628048     -6.42060670010254     11.89363031389916
  C   -1.28710379308074     -4.54151772385926     12.23463955270662
  O   -1.83686018399585     -3.54104576806964     11.82650511387646
  C   -2.41705030511848     -5.31525502168313      9.56274312408624
  C   -2.89861202083888     -5.41066164660277      8.24850543778505
  C   -4.24753667499489     -5.06949767844763      7.98646960133015
  O   -4.74846403939911     -4.98584355009371      6.83566338790975
  H   -3.32160410383423     -2.47892896079886      0.57922138328929
  H   -6.94322736681991      3.09311709508127      2.18641989333751
  H   -5.42440729622844      0.44577160047074      3.96716277061611
  H   -5.11449908202966     -0.96956041022262      5.64129789837548
  H   -6.89982530416207     -4.21710113482318      6.25849084587151
  H   -10.24723591387699      0.80993411473066      3.00553442721570
  H   -8.38312463491621     -2.05081518416778      2.06736410937765
  H   -5.75649709178018     -4.58704207204586      1.57714856500876
  H   -0.16891777048064     -6.97241042869528      6.88525677530812
  H   -1.03845111003944     -4.70700900584294     13.31002360475604
  H   -3.07452565269597     -4.87963990505169     10.31450781309769
  H   -4.92846641647661     -4.90843838356872      8.83993419462914
  N   -1.98524477104565     -3.78621494644347      5.33514036188118
  H   -1.12419433142896     -4.20968004649181      5.68529055286413
  H   -1.82542380702061     -2.79339034215038      5.14966046597810
