76
Coordinates from ORCA-job /scratch/magstr/orcajob__5668047-aEGX/orca
  N   -2.64954928477631     -3.45973481193515      2.94764517446588
  C   -1.66750095819062     -4.52745661448572      2.68910315532348
  C   -2.07539994503145     -5.85143179376203      3.30228492155908
  N   -3.53824834975547     -5.94000745889076      3.32659920580547
  C   -4.14396391854755     -5.94069677508624      1.98708911704568
  C   -5.60754295319934     -5.54579732438566      2.12002537245724
  N   -5.75541740297514     -4.67106555272083      3.28187534673202
  Mo  -4.25525932067096     -3.92657947400844      4.41526232186675
  N   -3.58469668272570     -5.35840115379097      5.87855545062241
  C   -3.62855764159340     -6.79695498664480      5.59954906496501
  C   -4.03237785133366     -7.04044132175240      4.15828727831809
  H   -4.37276215273069     -7.29724537838788      6.24052750621066
  H   -2.65250260210633     -7.25813709254577      5.83047922227094
  H   -5.12587618228221     -7.05092818972207      4.07398034110041
  H   -3.65112223085880     -8.01186490733436      3.79704380038842
  H   -5.94437962606469     -5.06224235891938      1.18720851016893
  H   -6.26119629392703     -6.42624354162597      2.26108530183924
  H   -3.61237279353473     -5.20574359216886      1.37370438164114
  H   -4.04040985551440     -6.93090359551781      1.51007680647163
  H   -0.67873277831691     -4.25925819549431      3.09740502679289
  H   -1.53058584180094     -4.63866371774381      1.59859885117064
  H   -1.72419147561647     -5.91513445464072      4.33826755587354
  H   -1.63337513544484     -6.69284085348819      2.73864906058053
  C   -2.25232006467134     -2.26202785124916      2.41874952112188
  C   -1.00936950313708     -2.10325549207394      1.74926188284954
  C   -0.59943460860844     -0.89761698338749      1.17205989827532
  C   0.73919426834076     -0.89033005997927      0.55095762737232
  O   1.50842159238868     -1.85173585799234      0.54662578244081
  C   1.19303325219599      0.37341009620599     -0.18397133747485
  O   0.55558650788520      1.07234620073480     -0.91573368942624
  F   2.52579043258339      0.59448517151660      0.00643142270722
  C   -1.42336679676961      0.25336711869459      1.23807017017321
  C   -2.63265141132482      0.14268744710281      1.88004536005969
  C   -3.07178077932977     -1.07253021209246      2.46911936208710
  C   -4.34729812471533     -1.05226219675523      3.06120872507150
  O   -4.91741410149123     -2.00190999845600      3.67419609322119
  C   -7.10631241476064     -4.34217941005288      3.55928954640683
  C   -7.74019691108742     -5.01905359344724      4.60763764268539
  C   -9.07777464534189     -4.75166897914536      4.92985142019723
  C   -9.79638973999312     -5.47402733020063      5.99836225670406
  O   -10.97286311810699     -5.28228514735477      6.28533057005257
  C   -9.02044016243408     -6.50043529254143      6.84098336574004
  O   -7.90373496353049     -6.42264226588000      7.26180664693936
  F   -9.81597985166822     -7.55631983968000      7.16248454981318
  C   -9.79186046341008     -3.77897206203953      4.19217050379940
  C   -9.16735944294251     -3.10281622581542      3.16291529754242
  C   -7.82290595836283     -3.36909452504259      2.82777932276913
  C   -7.17176533451877     -2.59412149325018      1.75291514633678
  O   -7.72264297971745     -1.70157733415958      1.12138810311354
  C   -3.39825027478197     -5.02735683132747      7.18821883646937
  C   -3.40815370557704     -6.00743923034034      8.21693319597431
  C   -3.27580382322578     -5.68083570500515      9.56861975292721
  C   -3.35599865924590     -6.68428490803641     10.64945213533207
  O   -3.33290257337825     -6.39058669981627     11.84441582298848
  C   -3.43912758662803     -8.17150006149505     10.28316219877934
  O   -3.01272509621479     -8.73756430432911      9.31668991370145
  F   -4.03541591642000     -8.87577733169676     11.28386444725438
  C   -3.09031335889275     -4.32959576887893      9.96203853074669
  C   -2.99558919914131     -3.36621086329603      8.99254973703543
  C   -3.13502235839965     -3.66756801087979      7.60779523965625
  C   -2.78331108246668     -2.63301665322202      6.70553500242622
  O   -2.85924792620950     -2.67764284452034      5.44165939022426
  H   -0.30352678379789     -2.92295585014430      1.65875732581917
  H   -1.11604037007285      1.19400512413753      0.78717443861358
  H   -3.29893437788062      1.00554429699089      1.94763692856078
  H   -4.92796986021984     -0.11670797703139      2.98287648298168
  H   -7.16496891294812     -5.75163838204574      5.16983348101016
  H   -10.83195028841227     -3.58215972150728      4.45223253302437
  H   -9.69534817216760     -2.34202331121803      2.58567363926787
  H   -6.11225932720712     -2.86220629772521      1.54540347605269
  H   -3.53511382934275     -7.05191978216426      7.96012269219718
  H   -2.99825831248038     -4.09359022393951     11.02118063698418
  H   -2.79400576469248     -2.32820554023921      9.26680810054572
  H   -2.34079083842817     -1.71973118624163      7.13979562770848
  N   -5.45481794354464     -3.44267731588012      5.60555406997304
  H   -5.97137805869568     -2.64444835875315      5.98565739949451
