72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670628-CcZ3/orca
  N   -3.09338075944984     -3.92241471968031      1.48803692994044
  C   -2.86744240720134     -4.87841116052273      0.39815930683671
  C   -2.43233285005564     -6.17897390240151      1.00018730958155
  N   -3.41130289058625     -6.55486896752556      2.04535989084847
  C   -4.62695161452871     -7.14507911372912      1.44390545769615
  C   -5.72221243773726     -7.08326606849659      2.47529227409568
  N   -5.71774723441440     -5.72551168767206      3.00928273404776
  Mo  -4.00028897011802     -4.59852628076790      3.25059404669104
  N   -2.66369615926022     -5.58092320165528      4.42013318839776
  C   -1.90452870667444     -6.73467203665230      3.92894122296895
  C   -2.80892529113204     -7.50691587152644      3.00733244965387
  H   -1.60640286297833     -7.38157872585527      4.76730308110998
  H   -0.98006059782112     -6.40935575188820      3.41877906319418
  H   -3.61092046102540     -7.95756575055383      3.60337169264085
  H   -2.27320119716395     -8.30179058733600      2.46153016146910
  H   -6.69337974197279     -7.30595006000677      2.00681384931145
  H   -5.56515138808871     -7.82287893013478      3.28224698143962
  H   -4.90666719062827     -6.54698411877649      0.56710603519573
  H   -4.41888944418697     -8.17756844117332      1.11669727933432
  H   -2.08376794627634     -4.50608437973042     -0.27935834609347
  H   -3.78151555283485     -5.01901617639429     -0.20786378775292
  H   -1.45087935637369     -6.05024735284528      1.47309744662623
  H   -2.35710789530740     -6.98272770122092      0.24839420452036
  C   -3.03956268614224     -2.59653968118227      1.10164859243418
  C   -3.25083106680037     -2.23880916008983     -0.25731815624308
  C   -3.21363893933224     -0.92582087019113     -0.68930077934305
  C   -2.94138074588302      0.07963051108546      0.24248378178554
  F   -2.93390974783891      1.37045228924939     -0.17598936309163
  C   -2.70805869313190     -0.20184764593159      1.56705814016417
  C   -2.74645231889988     -1.53607915801938      2.02750216133771
  C   -2.52154400066571     -1.84836140342965      3.41201949804048
  O   -3.00189169932584     -2.93979390476441      3.91746598224553
  C   -1.75950908292792     -1.02146376830866      4.33322324047082
  F   -1.89213084703267     -1.47415201412577      5.61714880467814
  S   -0.75704045970867      0.24686384863582      4.05895227866795
  C   -6.92308359944556     -5.33471219413889      3.59548912156093
  C   -7.72152315625432     -6.28697722454344      4.26304597895830
  C   -8.90576280354685     -5.93189617553464      4.89992832748827
  C   -9.30712080178873     -4.59942942088903      4.85674869501353
  F   -10.44580857873939     -4.23693754085172      5.49768170255155
  C   -8.57955706532096     -3.63499461610697      4.18621345225948
  C   -7.38333948928530     -3.98253422658208      3.53559963440860
  C   -6.60441152897401     -2.99048270843436      2.80006492764548
  O   -5.35819050373456     -3.18596105156091      2.56204390604640
  C   -7.16296043222386     -1.77354030056148      2.22561632250016
  F   -6.17017630125992     -0.92144554529587      1.82941041841163
  S   -8.71719759630437     -1.37504474149969      1.89392281755747
  C   -2.22115105494763     -5.08372313158859      5.64344091536029
  C   -0.86427433842839     -5.23952649221985      6.01330947935137
  C   -0.36422365179892     -4.74058720826377      7.20602481760973
  C   -1.23975526454577     -4.08216806553232      8.06783997192166
  F   -0.75559332066020     -3.56744671321990      9.22585925580912
  C   -2.57645252254552     -3.92586977945286      7.77089891865434
  C   -3.09947459971314     -4.42468616744064      6.56107404112367
  C   -4.50834829475946     -4.24320362809472      6.24872655255112
  O   -4.91714510287307     -4.18960713250069      5.01115660141760
  C   -5.54315428098121     -4.17433632086334      7.24336109762073
  F   -6.71807885191521     -3.69685173088393      6.72513759405584
  S   -5.55340351687648     -4.75904088134596      8.79187364253120
  H   -3.50731773081656     -3.00606403766699     -0.98365155951523
  H   -3.41912939440910     -0.66721817337593     -1.72828187578596
  H   -2.51392695419821      0.60911782149595      2.26499407782291
  H   -7.37917559487260     -7.32047967787320      4.31955768658202
  H   -9.50683159848840     -6.66958097687952      5.43205525958370
  H   -8.93358534554243     -2.60707446227621      4.17691279883298
  H   -0.17108005747397     -5.72160884219640      5.32714425384931
  H   0.69082578804723     -4.83675575996611      7.46233041862776
  H   -3.22133344124017     -3.39535583865522      8.46637546471111
  N   -4.95371549106509     -7.81283115129509      5.69344853108965
  N   -5.42828975133674     -7.13877812820135      6.59085409365994
  H   -6.46181493353663     -6.98635676236585      6.81843058150999
  H   -4.75349059463816     -6.52573106972017      7.24846342372216
