74
Coordinates from ORCA-job /scratch/magstr/orcajob__5668043-8Dn9/orca
  N   -2.32353797293591     -3.66001048089362      2.95693358248292
  C   -1.38647906806750     -4.57889013961643      2.30496194085865
  C   -1.55635508214076     -5.98859974094735      2.85864510876423
  N   -2.98068367749193     -6.21485138329242      3.19316358172218
  C   -3.85674861578595     -6.20013671944911      1.98479081588263
  C   -5.26978858009455     -5.83637299286036      2.40626043969941
  N   -5.16871616724688     -4.81073760577348      3.44367473698121
  Mo  -3.49175951255195     -4.42000919361714      4.41928264292014
  N   -3.26997857645101     -5.86618271869311      5.77896705977942
  C   -2.82626436806562     -7.21180286740549      5.42862737760716
  C   -3.19724111543639     -7.45949993487891      3.98093810139350
  H   -3.29951809562917     -7.97231475468873      6.06978011658075
  H   -1.73510387404865     -7.29677609994335      5.59015243746521
  H   -4.26689890679182     -7.69673438660695      3.91751555494671
  H   -2.62870718893767     -8.29463740585556      3.53977360826195
  H   -5.83464842195600     -5.47928719711484      1.52833999984839
  H   -5.82151961540353     -6.71326986922771      2.79642433658479
  H   -3.47386360056043     -5.43233566194503      1.30316010759395
  H   -3.81091059276595     -7.17483716724740      1.47251653812809
  H   -0.34389521193919     -4.25838117857211      2.46696924751139
  H   -1.55234308812529     -4.57035935760491      1.21364933518191
  H   -0.98219438241944     -6.11509037424730      3.78602252172179
  H   -1.19977932302317     -6.73452094412688      2.12627182391985
  C   -2.35470414985001     -2.36494334828492      2.48577680704245
  C   -1.48647816405021     -1.95066870286549      1.45783758499740
  C   -1.55874300474980     -0.68404101271483      0.86760052004147
  C   -0.58764532462755     -0.38961823135431     -0.18785845369838
  O   0.28075239560692     -1.16507194561085     -0.59245710505986
  C   -0.67590049744241      0.96816358296836     -0.89426392139348
  O   -1.63785194505721      1.48575501241699     -1.37720587523259
  F   0.56241001133478      1.52916735548464     -1.02791701894949
  C   -2.52291882976521      0.25394932756813      1.32396996525510
  C   -3.34808239096889     -0.09647474543053      2.36144024664453
  C   -3.29251363223582     -1.37460561436636      2.99275854592375
  C   -4.12938390237033     -1.56130025104694      4.10778906110714
  O   -4.14999276759269     -2.62415529413854      4.85512275362526
  C   -6.34997350732530     -4.11125042314145      3.77684168414079
  C   -7.00858290033767     -4.38400974116610      4.98242959669183
  C   -8.17611420587659     -3.69024186966204      5.33136763650764
  C   -8.91524628532093     -3.99351986388375      6.56975080350924
  O   -9.99911516198385     -3.51317893532463      6.87494377998945
  C   -8.25628433680288     -4.90725015225392      7.61236031370334
  O   -7.22177957721213     -4.71337452540479      8.17543212984915
  F   -9.06624707374049     -5.94730015621733      7.94740485376917
  C   -8.69794933163582     -2.70318615007228      4.46757794180462
  C   -8.03607328845279     -2.40592333683829      3.29207435101098
  C   -6.85748186135475     -3.08923827548831      2.93367148063333
  C   -6.13215849686211     -2.68469800018718      1.70988628730761
  O   -6.54734606406800     -1.85410457087803      0.91146580020735
  C   -3.45496140935383     -5.54769065372411      7.12357065172605
  C   -4.31679747199457     -6.32277531138283      7.91819620416882
  C   -4.48764484581632     -6.05893671887706      9.27966326916632
  C   -5.40799656841785     -6.82368309653633     10.14602209768068
  O   -5.53787372766274     -6.58988294194714     11.34591646135132
  C   -6.26218898151037     -7.94558968311503      9.53634967524350
  O   -6.55670364878393     -8.15226951617909      8.39285935373345
  F   -6.74544380320005     -8.75338990406550     10.51957062916562
  C   -3.75483626578580     -5.00319488994957      9.88728486435976
  C   -2.89441791984750     -4.24330934486067      9.12864564007050
  C   -2.73178448262958     -4.47376433596459      7.74003703218238
  C   -1.82889077186499     -3.65677734502619      6.99072357546035
  O   -1.79233084538849     -3.58300307258415      5.73487512941544
  H   -0.71941989231790     -2.61750987894365      1.06953887896083
  H   -2.60815262924973      1.23579188923375      0.86215948588884
  H   -4.08039689417764      0.61967803818772      2.73947086507433
  H   -4.78778944696204     -0.74426120129383      4.42510572333836
  H   -6.59427465118737     -5.15411235779332      5.63593104333929
  H   -9.61186371092021     -2.18291246047192      4.75484313529704
  H   -8.39644739298341     -1.62328901445731      2.62207379448192
  H   -5.14618677339512     -3.17924467988009      1.55452961292906
  H   -4.87920123982041     -7.12661286011260      7.44832978623063
  H   -3.89773825861881     -4.81232819272342     10.94989195768171
  H   -2.33003694945779     -3.42768082968208      9.58705038983017
  H   -1.12317208804220     -3.02738259534915      7.56614095795870
