71
Coordinates from ORCA-job /scratch/magstr/orcajob__5670657-Pk5N/orca
  N   -2.91155465368333     -3.66370306196900      1.86471111858794
  C   -2.86557867008603     -4.50475544364197      0.68587255562865
  C   -2.39901774566817     -5.88826234423277      1.13223124726440
  N   -3.22397110761577     -6.32858930702524      2.28171619163235
  C   -4.27694669669220     -7.29080315419931      1.85745077044643
  C   -5.48072875176279     -7.12675506748481      2.75128345023024
  N   -5.85032772634083     -5.71630075948548      2.71744953590757
  Mo  -4.25028272373327     -4.38961663034733      3.23908160775187
  N   -2.79715129164168     -4.91041642642786      4.55055927727043
  C   -1.70903378016107     -5.76968045885893      4.10186531221448
  C   -2.36001870327735     -6.90642600818948      3.34283569560470
  H   -1.14618820574718     -6.17398928265434      4.95639136579604
  H   -0.99357437919139     -5.21996112019477      3.46241655815095
  H   -3.00525994970029     -7.47095743274587      4.02941788501825
  H   -1.62161316279040     -7.59649395472349      2.90161230444901
  H   -6.29809177243432     -7.75421366882931      2.36172068253793
  H   -5.26673797016743     -7.47306112689537      3.78130018587345
  H   -4.56758453991583     -7.05177076306897      0.82754213431347
  H   -3.87949504215477     -8.31890257785942      1.87986627875748
  H   -2.20340162911620     -4.15591945937908     -0.12479520456293
  H   -4.93830784124803     -3.97833938620581      0.62006643475186
  H   -1.34725375167536     -5.79483020486455      1.43011279533561
  H   -2.45545375324239     -6.62801844519458      0.31800786341161
  C   -2.09090299220553     -2.55051055990497      1.93308949582474
  C   -1.05749673554298     -2.34608943260283      0.97641406024805
  C   -0.22540172458588     -1.24357539000016      0.99807348487331
  C   -0.39197593487863     -0.25676816140586      1.98145993186187
  C   -1.36517574848417     -0.42850992681466      2.94193341183503
  C   -2.21316196684539     -1.56678373859824      2.98877594015572
  C   -3.21366348461831     -1.66580880106608      4.01913896644174
  O   -4.13559008209404     -2.59595070298244      3.98126713770167
  C   -3.34425056517215     -0.79974791408946      5.17950211414770
  F   -4.62309896100950     -0.84829987871448      5.67154286438829
  S   -2.24082924097349      0.07940126757721      6.01288939379162
  C   -7.13909939644221     -5.40624053905043      3.04834827313508
  C   -7.98534365933297     -6.35546317939334      3.68790557539345
  C   -9.27675157133036     -6.04506305244910      4.05992022777379
  C   -9.81090220353175     -4.76683676330832      3.80510482959938
  C   -9.04151543533674     -3.83191065876806      3.14721939243619
  C   -7.71214786283013     -4.11123326614481      2.73350727443052
  C   -6.93239330515147     -3.15406876057112      2.00172370179092
  O   -5.64246711239140     -3.20871090050913      1.99013721469443
  C   -7.49051990940430     -2.09338879047595      1.15782784122658
  F   -8.84196776706574     -2.17829917581063      0.96325404302536
  S   -6.64437233661045     -0.91943350869961      0.39904576808929
  C   -2.63570223649519     -4.25205145988187      5.76177332573170
  C   -1.34638675323252     -3.91811691269307      6.22941201625530
  C   -1.17089068727414     -3.17250056946371      7.38692823631818
  C   -2.28195002261442     -2.75054186193868      8.12831791890584
  C   -3.55580349778772     -3.10960663651407      7.71656313239323
  C   -3.77045771665124     -3.87082043512801      6.55081292362981
  C   -5.10245368011984     -4.31505628494160      6.16495568903951
  O   -5.39177236367052     -4.65635254920056      4.95436344431539
  C   -6.18483028585413     -4.51183754447216      7.12445373307643
  F   -7.38494021021031     -4.63530033780549      6.48339035061567
  S   -6.14338346144375     -4.71574442708820      8.75019296340767
  H   -0.87618849107199     -3.08327927117267      0.19811751412298
  H   0.55370900310236     -1.14797741485490      0.23986908555817
  H   0.23304870168104      0.63658945270433      1.98894350145572
  H   -1.49678378256266      0.33106767501645      3.70813214813182
  H   -7.58329458310835     -7.32928582334692      3.95982682711529
  H   -9.87356975005702     -6.78924718113901      4.59050911369393
  H   -10.81699009409503     -4.51229105887692      4.13877969128021
  H   -9.44781877966815     -2.84015251906933      2.96713835637001
  H   -0.47628976834387     -4.18685631358080      5.63152158809644
  H   -0.16350936997253     -2.88880322124850      7.69513129274312
  H   -2.15107475233698     -2.13233648512784      9.01623536376972
  H   -4.41936457689395     -2.77652722357857      8.28645062675291
  N   -4.22376353256608     -4.55856625794070      0.13241821986353
  N   -4.56366000023897     -5.18618262783048     -0.94362219809119
  H   -3.71009146462924     -5.61157579256530     -1.34697885378890
