71
Coordinates from ORCA-job /scratch/magstr/orcajob__5670653-2Z1s/orca
  N   -2.65548953552568     -3.48369548969361      1.77636846503724
  C   -2.38924857588663     -4.15786243900131      0.52427319683482
  C   -2.44327400912115     -5.67941173523498      0.72364481438150
  N   -3.34943423158914     -6.08949100617380      1.86702439130101
  C   -4.36697539970994     -7.09430997419592      1.45550370126343
  C   -5.46929525660935     -7.15847356608319      2.48833012416423
  N   -5.97202808795269     -5.82408374779574      2.76069440553018
  Mo  -4.43901052239295     -4.14127314661861      2.72236772309012
  N   -2.93506206272076     -4.74481835794903      4.19006508924789
  C   -1.87075836342434     -5.62300049367297      3.74442840794462
  C   -2.52895691518021     -6.70892651890337      2.94595768970688
  H   -1.35185252853670     -6.07061502217285      4.60618316698393
  H   -1.10881712475211     -5.09488587298993      3.14358204013242
  H   -3.19926600605426     -7.27317050501671      3.60402789296704
  H   -1.80388493103535     -7.40733841208060      2.49880892661648
  H   -6.26064868973770     -7.80854887413716      2.08064937814797
  H   -5.11162342366547     -7.64913886815955      3.41490606910625
  H   -4.78085184751592     -6.80710512421642      0.48153733541198
  H   -3.88157453832410     -8.08023220517244      1.34320620865947
  H   -1.40959872210220     -3.91043239937659      0.09664704591645
  H   -3.15142742075598     -3.78742174859728     -0.17997307052324
  H   -1.43864570748116     -6.01953114200253      1.00916982445839
  H   -2.73587672852832     -6.21923913664664     -0.18874360744759
  C   -1.63814084306914     -2.72831634632049      2.32881065310295
  C   -0.27567676560486     -2.98698795343754      2.04716994404725
  C   0.73963363365926     -2.20111303604763      2.57343862969697
  C   0.43893553736099     -1.11915960829850      3.40832696071847
  C   -0.88514636630536     -0.83392060935244      3.69262061815453
  C   -1.93497899895679     -1.60740425215887      3.16529860637465
  C   -3.32346182808018     -1.32629098493942      3.47101976659088
  O   -4.17195595417492     -2.31806705838181      3.53985281950436
  C   -3.85719436412706     -0.02935436720324      3.77030862495755
  F   -5.13758083354554     -0.10945260606522      4.24933708416590
  S   -3.19045741835725      1.46344727738417      3.55543994478687
  C   -7.24410912766048     -5.72688581282453      3.19252994907497
  C   -7.94175166176959     -6.88744666433315      3.67050495718990
  C   -9.22156148565229     -6.82511958332109      4.17094602228066
  C   -9.92140739444558     -5.60105824057766      4.22515415297097
  C   -9.31549297390837     -4.46978403877258      3.73560611514128
  C   -8.00164969701620     -4.48206287557730      3.18539886052629
  C   -7.45640423745849     -3.27842681340346      2.64714382674947
  O   -6.20288709104315     -3.05924692842308      2.45987797798961
  C   -8.28397802616919     -2.13335560497129      2.19179461209452
  F   -9.58028403721375     -2.47295644056819      1.91132762686784
  S   -7.77444839937700     -0.62216561328326      1.92425790682584
  C   -2.67366402481019     -4.01030363401437      5.31984986847714
  C   -1.34302042522764     -3.79099165931497      5.77108335244207
  C   -1.07714843660181     -3.01036287515249      6.88224517082245
  C   -2.11991843735081     -2.39734686530853      7.60029459404276
  C   -3.42751377754381     -2.62756161579848      7.21672005935016
  C   -3.73521990630621     -3.45538496613280      6.11415311292837
  C   -5.08058335267633     -3.84576955876682      5.79291930148796
  O   -5.41278078589177     -4.25679205739224      4.62632552063954
  C   -6.15199891794991     -3.93447128547387      6.79919175720901
  F   -7.36373620731584     -4.10559469809019      6.20305210412697
  S   -6.07074602193858     -3.96566630921379      8.42884653296771
  H   -0.00637552622857     -3.83565398042810      1.41954295998553
  H   1.77538908753396     -2.44427425320079      2.34079812329441
  H   1.23259567016264     -0.50587050021821      3.83329755280973
  H   -1.13381334476422      0.00985231227399      4.32949862513651
  H   -7.41821175965949     -7.83929518976491      3.72109159233420
  H   -9.68164453137211     -7.73408162372191      4.56354764007351
  H   -10.91459617622752     -5.54689755913865      4.67014158332315
  H   -9.83746390445072     -3.51960718278292      3.81234185323780
  H   -0.50802316127057     -4.18427819544665      5.19319853098008
  H   -0.03904530754998     -2.84047383281162      7.17488021867355
  H   -1.90402415947258     -1.75060724533806      8.45072819207971
  H   -4.24479253212283     -2.15898607257208      7.76099477183497
  N   -4.99433727091852     -4.30515308981722      0.78816594083746
  H   -4.59789691358892     -4.92816961466221      0.09359059764078
  H   -5.94083691494030     -4.03407350094390      0.53442056452090
