72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670656-GjPC/orca
  N   -2.53390365841517     -3.64958709303540      1.63019512524030
  C   -2.15595328715862     -4.49745064278624      0.50765775418582
  C   -2.08196082100131     -5.92510466788927      1.00594172210305
  N   -3.24884742336626     -6.19121322039111      1.91449626287428
  C   -4.25939543641197     -7.00622271655600      1.19453080454644
  C   -5.51464970694366     -7.08495998687082      2.01346293382414
  N   -5.91894945902503     -5.75387853902973      2.48041559321546
  Mo  -4.29571943300403     -4.29685012492972      2.64361998474464
  N   -2.93789602253080     -4.71769273004256      4.20703542189018
  C   -2.02599331912561     -5.83498447961945      3.99379488668988
  C   -2.75378624894279     -6.86165198845027      3.15441550351849
  H   -1.74771949248189     -6.29241737678480      4.95624981282000
  H   -1.08513296294875     -5.51138983650540      3.51129111588065
  H   -3.61515645305250     -7.23863699266795      3.71728904646928
  H   -2.10475354742983     -7.71053519618482      2.88409652923497
  H   -6.31051030030237     -7.54219213211634      1.40194364731807
  H   -5.34304794500567     -7.77521539028268      2.85862593314588
  H   -4.44343389714349     -6.52148702088591      0.22628599813989
  H   -3.85735085781802     -8.01357938793691      0.99471812698582
  H   -1.20690168493905     -4.19172728547453      0.05047093898562
  H   -2.90104743683096     -4.40579494675915     -0.29339039365377
  H   -1.15868217618149     -6.06174573243871      1.58026875247167
  H   -2.08285220016245     -6.66025913005225      0.18867848506990
  C   -1.57293170319920     -2.86344722806907      2.20428004777506
  C   -0.18379094442830     -3.08172422129620      1.96888460495222
  C   0.79028852739395     -2.31411185503859      2.57486033275423
  C   0.44891344943671     -1.26615844872425      3.45248437882067
  C   -0.88001984320086     -0.99786922218983      3.68448466155449
  C   -1.91424410301307     -1.75483345062511      3.07273941029850
  C   -3.28477725354171     -1.44626742415922      3.31443707552253
  O   -4.22893409957433     -2.28942138156871      3.08208069143018
  C   -3.77071909931696     -0.14061776110402      3.81114480070264
  F   -4.98746326835310     -0.28178426707529      4.39763021641740
  S   -3.13215349165975      1.34029011318022      3.61482762223277
  C   -7.13802008615310     -5.76338040809837      3.13817967614416
  C   -7.70626623558237     -7.00027642942124      3.56697242507104
  C   -8.90192398747866     -7.08601302091268      4.26146917801088
  C   -9.65074869560172     -5.94201327414691      4.56886338588962
  C   -9.17067969992722     -4.72675627053122      4.13082727591267
  C   -7.95377510551119     -4.59790404461716      3.41586600257669
  C   -7.65831181125124     -3.28792338494428      2.90905950059077
  O   -6.61535067196144     -2.93897582857749      2.32112190678875
  C   -8.70120664955252     -2.19249532989512      3.00031557059759
  F   -9.65990088128586     -2.37163235013358      2.05374741764901
  S   -8.66845346268864     -0.91165092951927      3.96822916012718
  C   -2.70468681986046     -3.91508611443527      5.27896773257689
  C   -1.42536040847937     -3.83787192247430      5.89603496168561
  C   -1.18467845672790     -2.95777355698268      6.93249012384274
  C   -2.20934790982598     -2.14162680510527      7.45628058635311
  C   -3.48604591802331     -2.25931756386329      6.95248184274313
  C   -3.77155426413165     -3.14667859041720      5.88350943765679
  C   -5.09753165370174     -3.52266665770511      5.52124298416471
  O   -5.40001062126309     -4.15877654681991      4.46400959224621
  C   -6.27443967584864     -3.34765758646313      6.42905236201493
  F   -6.83780189226002     -4.54575046031284      6.71532069738002
  S   -6.92347175446229     -1.94790300582366      6.86755552893277
  H   0.13710175221401     -3.90791847457997      1.33757296879677
  H   1.84015670795709     -2.54787822368020      2.38883466074491
  H   1.22506662405584     -0.68852823318277      3.95381229333356
  H   -1.16103074658243     -0.20929724780592      4.37816596137680
  H   -7.17964319555579     -7.93226671289986      3.38858298670143
  H   -9.25056956069382     -8.06988751277217      4.58145366609609
  H   -10.58336076787908     -6.00913490227697      5.12760363264058
  H   -9.73940614975875     -3.82091387131208      4.34782847401557
  H   -0.59947347691140     -4.41855041039497      5.48847506835882
  H   -0.17318435677600     -2.87907290311294      7.33515717526446
  H   -1.99559187815114     -1.43531709132317      8.25787606603952
  H   -4.29745196626722     -1.65730817141511      7.35840493020848
  N   -5.07017419106361     -3.82102766062600      0.51232645169880
  H   -6.08755773805216     -3.85174281775618      0.60490424384894
  H   -4.80940936402707     -4.39952179959736     -0.28803056834550
  H   -4.81519843125022     -2.85300212170268      0.29292881210295
