76
Coordinates from ORCA-job /scratch/magstr/orcajob__5668045-sOSx/orca
  N   -2.78582941983408     -3.59869871430529      2.41282281571236
  C   -2.18331673458867     -4.53742836371009      1.46927472500884
  C   -2.10255610700329     -5.89114653909183      2.14462407929295
  N   -3.38445175811158     -6.09812193296891      2.83705521842373
  C   -4.42336413961896     -6.46257464745969      1.84954168202380
  C   -5.76536850369654     -6.23282550480286      2.50695521186458
  N   -5.62733534918460     -5.03819248637737      3.33698727903014
  Mo  -4.04689488147298     -4.08030999298523      3.88598486692202
  N   -3.37867475930600     -5.29254096105604      5.28576563465828
  C   -2.72047890501626     -6.58628413509809      5.10245041808672
  C   -3.25551688726457     -7.19234068510744      3.82436310362168
  H   -2.89170321769637     -7.25554561670267      5.95229392359332
  H   -1.63235337577310     -6.41286232093570      5.04432245920774
  H   -4.23920656575376     -7.63080348993108      4.01643735622367
  H   -2.59165147929037     -7.97731446293677      3.44007018711066
  H   -6.55069480039143     -6.08926037037268      1.75216026470504
  H   -6.08183332684715     -7.08191316731364      3.13394677923986
  H   -4.33834115677253     -5.81670810018708      0.97022327696158
  H   -4.30009913440896     -7.50655388218849      1.53384952673904
  H   -1.18955467737648     -4.22060637574773      1.14143849261286
  H   -2.80881413167143     -4.56952703093857      0.56316081398154
  H   -1.29347256924067     -5.88268605510327      2.88422392195454
  H   -1.91700271013329     -6.69188874485014      1.41619466965280
  C   -2.27732599239614     -2.31233119377597      2.30144576256455
  C   -0.91913797453416     -2.06754102676588      2.06783582501178
  C   -0.42074273799357     -0.78217743654031      1.85774030770432
  C   1.02629226963655     -0.63590505515618      1.68939708753814
  O   1.82915268435832     -1.55860742750099      1.65524591624755
  C   1.55809129598872      0.79027053745513      1.54985199986811
  O   2.08385253369660      1.31249080620496      0.62565494459243
  F   1.41083745461677      1.47063649929178      2.73583039595739
  C   -1.30677613441312      0.32476828718985      1.79963143731039
  C   -2.63334297685529      0.12990502264855      2.06082962553605
  C   -3.14361524248744     -1.15826311759252      2.38501426951584
  C   -4.46667953341059     -1.31238274755287      2.80143909302645
  O   -4.87669777023806     -2.40732351424838      3.33420102860297
  C   -6.90743955959993     -4.74410610099283      3.88129375394268
  C   -7.20074952075095     -5.26169047715935      5.13823942445846
  C   -8.43044148426641     -5.01987650443892      5.73710942210759
  C   -8.66939114857018     -5.41154171089098      7.15023259677878
  O   -9.66714441051387     -5.98479018836686      7.55496966031182
  C   -7.62437157572125     -4.87697539596621      8.10296370481261
  O   -6.67880849654619     -4.12244119805812      7.87702666339441
  F   -8.00502250108461     -5.01661170239220      9.39842626993226
  C   -9.42772535580758     -4.33125715766937      5.03165830704911
  C   -9.14804153078460     -3.82593855270737      3.77414111484054
  C   -7.88472901993716     -4.00273882247644      3.18797992680699
  C   -7.58971763806202     -3.38605041890553      1.88107482357864
  O   -8.37653247600757     -2.72619984257252      1.23227762522443
  C   -3.44037481742373     -4.92784200341215      6.63472404288996
  C   -4.03545069537187     -5.76688186366370      7.57013790126822
  C   -4.09920376629170     -5.41183938817343      8.91858055190826
  C   -4.85997732494249     -6.21063361082813      9.90134568039487
  O   -4.57833723615808     -6.24214466544261     11.10352355980458
  C   -6.05742265061076     -6.92670409054015      9.38516627115945
  O   -6.59639644576422     -6.83553575913180      8.29469199601533
  F   -6.65750711787598     -7.68650543247854     10.34064114687191
  C   -3.40424896785786     -4.26586076157579      9.36419380227760
  C   -2.78906759499762     -3.43352005905809      8.46029312084748
  C   -2.84782190348877     -3.70247904995793      7.07315212568565
  C   -2.34807106495392     -2.79452671572842      6.09910756866018
  O   -2.66273011940585     -2.86791556009209      4.87913656064232
  H   -0.18389395784268     -2.86461537232939      2.10747549372350
  H   -0.93137325630467      1.31582898958743      1.57302788785805
  H   -3.32207292404886      0.96701057222001      2.07060948136520
  H   -5.18652623468245     -0.49299506716731      2.71432146184655
  H   -6.46084407329421     -5.85352797904814      5.66593756182553
  H   -10.39782664627556     -4.18163082182010      5.49118761329691
  H   -9.89559672121086     -3.26968468949347      3.21893681288685
  H   -6.55086115748455     -3.55371664860113      1.51884580506510
  H   -4.50033999011537     -6.68747385558343      7.24100550067121
  H   -3.40155752478607     -4.04906460967363     10.42590838380187
  H   -2.29168926264267     -2.53063490899975      8.79721218169145
  H   -1.67762706052036     -1.98258386937190      6.40986190313498
  N   -5.34095045694574     -3.60766933175027      5.51314795305142
  N   -6.14707559656630     -3.30223742877592      6.51311893801351
