77
Coordinates from ORCA-job /scratch/magstr/orcajob__5668049-VPSc/orca
  N   -2.74162869045517     -3.57766332495962      3.23599397849293
  C   -1.63840215072166     -4.51262891543233      2.98001132706453
  C   -1.94200471884520     -5.86948333616408      3.59384836377996
  N   -3.40978023693623     -6.06124248690144      3.59455824220174
  C   -3.94767306959555     -6.15193696602201      2.21404430023026
  C   -5.42730257138200     -5.85182037432378      2.27282169447631
  N   -5.62440804843144     -4.82872314689515      3.30239695544911
  Mo  -4.24439179991797     -4.22933838683378      4.63921028972986
  N   -3.46560341946269     -5.55890772238299      6.12663386614709
  C   -3.50906276565057     -6.99826502124682      5.84162819395826
  C   -3.84286129823503     -7.22764372444067      4.38464527388173
  H   -4.27361466812857     -7.50613899211863      6.45241922152400
  H   -2.53983491932307     -7.45358335712962      6.10676866151634
  H   -4.92684414512521     -7.32349716962366      4.24999842448674
  H   -3.36523520358437     -8.14559460060298      4.00247628726875
  H   -5.77378600792957     -5.50794167518691      1.28436266458304
  H   -6.03211650236067     -6.74670921224858      2.51292600282431
  H   -3.44266420560526     -5.39674801697254      1.60375415819458
  H   -3.73184838211781     -7.14854597606141      1.79584728584465
  H   -0.68846222975006     -4.13660548121032      3.39728256821443
  H   -1.48004287809487     -4.61289112556370      1.89168770267194
  H   -1.60401890409668     -5.91115137841870      4.63418717452424
  H   -1.45234931713550     -6.68086277854431      3.02895588703043
  C   -2.59950262203780     -2.36031374746678      2.64434818988711
  C   -1.45952020503242     -2.03052584494444      1.86965498283560
  C   -1.33927812228746     -0.82792406449919      1.16833393793054
  C   -0.08092853886796     -0.61953429146986      0.43065778180350
  O   0.85297914029076     -1.42162053706764      0.40442383937909
  C   0.07122104914826      0.65559148728517     -0.40308087381894
  O   -0.72569175070897      1.15382454687798     -1.14173086172710
  F   1.33536641626614      1.15815664257924     -0.29600658243501
  C   -2.37195172963224      0.14422979101117      1.22554764071511
  C   -3.47070527582291     -0.11875544433535      2.00408404431864
  C   -3.61715157600661     -1.33050603486508      2.73813342478712
  C   -4.76507143816305     -1.41940388221204      3.54374669954610
  O   -5.10639939962235     -2.36445602987174      4.33581047455889
  C   -6.89292438553843     -4.19470207675370      3.21612698346531
  C   -7.86506460864861     -4.47929822417347      4.17651896212326
  C   -9.13842511922995     -3.89773775192027      4.10379156913189
  C   -10.18230345901244     -4.20700348966779      5.09774454431721
  O   -11.34860032815418     -3.84071474297356      5.02677171832528
  C   -9.76491578005692     -4.97204949112309      6.36383211866106
  O   -8.87461162939061     -4.69784471286819      7.11138774814928
  F   -10.62863404518487     -5.98892860678401      6.63346057832810
  C   -9.45338553938781     -3.02068293799658      3.04398969266839
  C   -8.49186207480450     -2.72548037555768      2.09603535380969
  C   -7.20427577520801     -3.29263485338131      2.16717729059260
  C   -6.18948061597627     -2.89562242296333      1.16665341689684
  O   -6.41922225347686     -2.16157319032484      0.21269816395168
  C   -3.14909471193366     -5.25840310283104      7.42802479222929
  C   -3.09667200215308     -6.26776080150208      8.42289077701626
  C   -2.75928710828146     -6.00226149596473      9.75461240027341
  C   -2.74572845296677     -7.03683590687048     10.80619330141745
  O   -2.53400499030320     -6.77707198020484     11.99403279759288
  C   -2.97637150211478     -8.50057820712923     10.42371468617989
  O   -2.86928807779865     -9.04430549649631      9.35832903475550
  F   -3.29925920089807     -9.23346940303656     11.52663942769548
  C   -2.44301149397195     -4.67563620375809     10.15317496164166
  C   -2.45252548619310     -3.68014359950535      9.20980822261287
  C   -2.79510429852301     -3.92219341628748      7.85192721933056
  C   -2.64979647650668     -2.83794157307734      6.95599184081066
  O   -2.94112605210207     -2.82464721801826      5.72838111626210
  H   -0.61695603739859     -2.71271084709564      1.79109007653125
  H   -2.29641887221751      1.07664841349591      0.67079603782391
  H   -4.27205021083648      0.61880286255111      2.08338410338563
  H   -5.45533168897279     -0.56152830055765      3.52860376569386
  H   -7.59816776024581     -5.15214815494917      4.99005728080033
  H   -10.45052700206184     -2.58223642007411      2.99938780640728
  H   -8.69933752042208     -2.03428320440037      1.27734949722904
  H   -5.16611466649043     -3.30168817776250      1.33506183743738
  H   -3.33249071196538     -7.29250972879091      8.16431757515672
  H   -2.18771909085854     -4.48207638985540     11.19379748893770
  H   -2.18405004328455     -2.65833726987092      9.48823652490347
  H   -2.20849194944079     -1.91136560308208      7.36664774516240
  N   -5.52380987235944     -4.03351243607989      6.13809997178804
  H   -6.13360721458432     -3.21413262916497      6.15519321559144
  H   -5.44836470568145     -4.45218925492906      7.06430513303464
