77
Coordinates from ORCA-job /scratch/magstr/orcajob__5670612-CspU/orca
  N   -3.08661056877503     -3.47316276026156      2.13095456182131
  C   -2.59371133140544     -4.28117459588570      1.01413576122452
  C   -2.51658360715550     -5.72822798703355      1.48033044892673
  N   -3.67752742398736     -6.02129381711173      2.36701537580506
  C   -4.96495601166288     -6.08077183650536      1.62124877961312
  C   -6.11995354298046     -5.89844239300558      2.59134397870563
  N   -5.86134792087901     -4.77786821746599      3.51610508622646
  Mo  -3.93997202878580     -4.22954981136637      3.73745928660145
  N   -3.08494623267103     -5.54300469165316      4.91484678212004
  C   -2.58510318565932     -6.83093624235010      4.40288694649075
  C   -3.44265331981524     -7.23093679015143      3.20722942544447
  H   -2.63328250036123     -7.60122249241130      5.18561938596703
  H   -1.52614292197242     -6.72059781944574      4.11742905136987
  H   -4.41830572602345     -7.57917758325271      3.56781484056349
  H   -2.98371730606295     -8.03708844177030      2.61216573418483
  H   -7.04167318258343     -5.70736353839281      2.01768876459770
  H   -6.28810481547310     -6.83000382339759      3.16003807081505
  H   -4.96038549423253     -5.26069212936450      0.89190846611298
  H   -5.05741648898008     -7.03232985460560      1.07202806647681
  H   -1.59600415821742     -3.93536993438822      0.69586308733251
  H   -3.26422885265707     -4.16151646323344      0.14454297445207
  H   -1.60617541712133     -5.87666748003857      2.07691660906388
  H   -2.48845501309625     -6.42701907769498      0.62867483407509
  C   -3.33400072545855     -2.08352570490013      1.92399538670084
  C   -2.30111074636807     -1.13054979526875      1.99417717271165
  C   -2.60269639698078      0.22868744482837      2.01444251590342
  C   -3.93736129326873      0.62731136356078      1.99277581163279
  F   -4.21846100089458      1.94317796423496      2.08374011154074
  C   -4.98679789998853     -0.29229627018194      1.87374917456307
  C   -6.42312053828585      0.06321454985655      1.89222120742837
  O   -7.30575808895148     -0.68043486176516      1.49245109376234
  C   -6.90670382229021      1.38760128501845      2.52396854953732
  O   -7.27466899300897      2.34238208388101      1.89141461683318
  C   -7.01501525765970      1.26509836783039      4.06884390827388
  O   -6.76172129229913      0.23068599371464      4.62794219704472
  Cl  -7.50928751666766      2.73006935476766      4.88205369522477
  C   -4.65710135878840     -1.65419699226475      1.80681365122008
  C   -6.94432238719281     -4.45997123290391      4.37601960318343
  C   -7.99991426588969     -5.35943961217575      4.63517201338499
  C   -8.97663619450359     -5.05376659303910      5.58089268152169
  C   -8.91100689131933     -3.86519217058705      6.29473015802920
  F   -9.83371315586582     -3.63641943814462      7.24465630374238
  C   -7.88052233827496     -2.93383524444539      6.06291703029191
  C   -7.79855531804583     -1.68936368307270      6.87271285577959
  O   -8.76306978907263     -1.02936235696232      7.20882187561860
  C   -6.43840961225384     -1.29635476736361      7.54047168072799
  O   -5.63829405005516     -2.09330800146254      7.97249186160811
  C   -6.29508849845483      0.19323013063347      7.92685989623102
  O   -7.03035357008007      0.83024774817415      8.60153340019314
  Cl  -4.71840040244236      0.88416746746022      7.30980669191488
  C   -6.95080265592796     -3.24467775902408      5.06993848805479
  C   -3.45693983951260     -5.41722854588582      6.28903470579259
  C   -2.62986604474598     -4.69204515106768      7.17209876719446
  C   -3.01838096963992     -4.47244624248571      8.48725192783720
  C   -4.24683408650432     -4.96777778451728      8.91355140758052
  F   -4.63425790748962     -4.71272216099125     10.17812483066858
  C   -5.09362159493740     -5.70095738706737      8.07054399030926
  C   -6.42057933348165     -6.20409025639585      8.48383868890277
  O   -7.16819012672289     -6.82750452231552      7.74150461957551
  C   -6.93815565705530     -6.02547826553903      9.92376196868173
  O   -6.78540664199854     -6.87826301379925     10.76188136894041
  C   -7.73648912524384     -4.71820418915013     10.14726605029064
  O   -7.66888988608704     -3.79989539837066      9.37978574081980
  Cl  -8.68310401441467     -4.70841706552822     11.62709503387649
  C   -4.67483070391136     -5.92477330926345      6.75063434619187
  H   -1.26429711948587     -1.46061490306697      2.07380560188072
  H   -1.81999827964252      0.98474520930010      2.07897880068602
  H   -5.47024789948267     -2.37897898296329      1.73144442001443
  H   -8.06905847151155     -6.31558129926914      4.12027207357192
  H   -9.78220656518999     -5.75532047984515      5.79709824948032
  H   -6.23869304689102     -2.48068051929027      4.78716048902439
  H   -1.68553028216313     -4.28993148132408      6.80297238600209
  H   -2.39695060500277     -3.90770751540288      9.18186462173566
  H   -5.34627804029791     -6.46920479995541      6.08509569521529
  N   -4.06800450213577     -2.74468278708523      4.83480626888782
  N   -4.36445148604430     -1.82406734634318      5.55929100869799
  H   -3.71321165955834     -1.02689329198906      5.69385998749067
