77
Coordinates from ORCA-job /scratch/magstr/orcajob__5668050-2R4h/orca
  N   -2.62903597753484     -3.50954030451846      3.12169321678745
  C   -1.58627548873233     -4.52075609763353      2.86941239013097
  C   -1.95658795497991     -5.84078008840449      3.51670324625696
  N   -3.43039386893272     -5.96173607762280      3.50099573806591
  C   -3.97083013968025     -6.03671474428412      2.11791452393542
  C   -5.44203422456160     -5.68739246118175      2.18018796418911
  N   -5.61534068950227     -4.71264467454064      3.26021560790590
  Mo  -4.19321008396754     -4.08655796592164      4.50257030921967
  N   -3.56728089877323     -5.44548815726383      6.04310573030347
  C   -3.64139734186859     -6.88582682369895      5.75764136115946
  C   -3.92430123729607     -7.10984379537627      4.28859321461898
  H   -4.44651976472825     -7.36774002128793      6.33584144453307
  H   -2.69512318569202     -7.36421733093677      6.06043836426416
  H   -5.00371491253791     -7.18470403486774      4.11456759143701
  H   -3.45571993740153     -8.03938071296096      3.92655712350085
  H   -5.77029812056863     -5.27328479297083      1.21233408959631
  H   -6.08281917783931     -6.56707654104632      2.37234279480859
  H   -3.43766596174862     -5.30772104361438      1.50075855441337
  H   -3.79623154093620     -7.04269511890343      1.70519465668964
  H   -0.61412361955588     -4.18715796820199      3.26771885336762
  H   -1.45113246365646     -4.65637542322085      1.78316670249270
  H   -1.63544129298119     -5.87047694568224      4.56358304563657
  H   -1.49565411880115     -6.68792879079277      2.98226479788866
  C   -2.39226863727029     -2.30936757794296      2.53328135502446
  C   -1.23669584149733     -2.07887046877376      1.73264698272683
  C   -1.00964018783347     -0.87415072791970      1.08060223470286
  C   0.25203212998778     -0.77309239999300      0.29538492427798
  O   1.09549596841765     -1.65192277261688      0.23258709364318
  C   0.46594777093036      0.47806045015967     -0.56891630696354
  O   -0.28447992661303      0.89789714097215     -1.39487016422754
  F   1.68656593245555      1.02551811891540     -0.35342610599867
  C   -1.91244837748601      0.21064806409372      1.19202004921565
  C   -3.02283048914464      0.04192486959366      1.98206193614403
  C   -3.28716970012427     -1.17915274585440      2.66051237296092
  C   -4.45441616593663     -1.19402183830317      3.44546449804181
  O   -4.90833893659869     -2.15690865269492      4.13821709438489
  C   -6.95580049770960     -4.23794137541115      3.35657656688420
  C   -7.79470867803027     -4.80878040946054      4.31744138116979
  C   -9.11408650915488     -4.36501567640941      4.46139246121435
  C   -10.02580917043417     -4.95420176077742      5.47052153226943
  O   -11.20209163462898     -4.65997897566082      5.59191617574265
  C   -9.42457744321385     -5.92398373231567      6.50774148981144
  O   -8.43925767270368     -5.75001308720803      7.16058846912770
  F   -10.20934371458509     -7.01304831559614      6.67493791730838
  C   -9.61071685800199     -3.34297892401853      3.62687106510811
  C   -8.78514194986328     -2.78072845578185      2.67023236297567
  C   -7.45496536520160     -3.21779568019738      2.52009227875186
  C   -6.59364458621604     -2.58553029303138      1.49260703844526
  O   -6.92850636126982     -1.62371367352927      0.82085235556715
  C   -3.28414641982213     -5.14111268892028      7.34437839817147
  C   -3.33534171891568     -6.13706162964136      8.36419017938438
  C   -3.09410507779709     -5.83973463103505      9.70125366079313
  C   -3.16884477943623     -6.89236394412044     10.75347962290647
  O   -2.88111762733045     -6.69681286469800     11.91953245574833
  C   -3.66639011399102     -8.29959630217286     10.36364253871623
  O   -4.61267917626502     -8.56480520900891      9.68507663491837
  F   -2.92973338149154     -9.25745308570041     10.96902030622065
  C   -2.72983155043283     -4.53790524237478     10.11147414595231
  C   -2.60429922388546     -3.56691852045702      9.14519662679110
  C   -2.87201630403253     -3.82884917900209      7.77963533941262
  C   -2.54777988982174     -2.78609473096185      6.86327489483174
  O   -2.75727756808687     -2.79326046863956      5.63100407984945
  H   -0.47514580682261     -2.84295153985897      1.60068305900076
  H   -1.73743527709186      1.14982150276566      0.67060705104809
  H   -3.73884050811206      0.85677970587258      2.10439516762076
  H   -5.06091235728603     -0.27491201094581      3.47158720508011
  H   -7.38877615357699     -5.58693724868513      4.96141821521730
  H   -10.64229881732224     -3.01308060017576      3.75159786143298
  H   -9.14272879753790     -1.98792773432512      2.01144546821736
  H   -5.56414097180884     -3.00573607178336      1.40651633702479
  H   -3.62017101191900     -7.15165073719164      8.10971856407390
  H   -2.53720818275242     -4.33756797072046     11.16415896881702
  H   -2.28325991826221     -2.55921684332123      9.41751496825212
  H   -2.01799821394087     -1.90929751129104      7.27977536285295
  N   -5.48205359744318     -3.73274767406386      5.95003061006813
  H   -5.49190837158876     -4.14206409582850      6.88316448715744
  H   -6.06451327922289     -2.89530185901948      5.90170641092852
