70
Coordinates from ORCA-job /scratch/magstr/orcajob__5670652-cZCk/orca
  N   -2.91199896369174     -3.65546095697127      1.84001682639600
  C   -2.78500365147821     -4.42429688982537      0.58775579680036
  C   -2.35825752105573     -5.81888026402854      1.00604184052969
  N   -3.26035274936000     -6.27106096588004      2.10284318001448
  C   -4.31530372253524     -7.18161048411779      1.57883914661360
  C   -5.44926024733021     -7.20568320958029      2.57028150122643
  N   -5.77625908873793     -5.81057384193152      2.85995239347422
  Mo  -4.23628363117783     -4.42528442387526      3.16093739939480
  N   -2.83751367293206     -5.00262154868178      4.50179531639063
  C   -1.79207423762284     -5.91722295283022      4.03648677059726
  C   -2.46576270451299     -6.95292987820706      3.16631898294085
  H   -1.30231531484208     -6.42244998930519      4.88187535278974
  H   -1.01420191197801     -5.36520936882021      3.47892156690657
  H   -3.15508167203791     -7.54269258694831      3.78400845493622
  H   -1.73974525425929     -7.64021111174486      2.70397943068001
  H   -6.31304934966442     -7.71795341613478      2.12037049941490
  H   -5.18512770654490     -7.75996939217819      3.48980235818341
  H   -4.66601079015058     -6.74626920427495      0.63592678863191
  H   -3.89467895747939     -8.18407184102818      1.39675103620815
  H   -2.00946252829555     -3.97220201054018     -0.04620481555306
  H   -4.55688661316708     -3.57253495664954     -0.00255144512974
  H   -1.32619869509022     -5.78160816019524      1.37688729339752
  H   -2.39969789836076     -6.53438455678575      0.17156963181027
  C   -2.02938517326750     -2.59725978815889      2.03938681252404
  C   -0.77399269509164     -2.57767849839025      1.37539287269137
  C   0.12381043491762     -1.53706186104812      1.52802070353398
  C   -0.19047372952560     -0.44949146778129      2.35677846950922
  C   -1.39037093714008     -0.44284569891483      3.03926173611209
  C   -2.32759232568560     -1.49811026016970      2.92543820517348
  C   -3.53211425981152     -1.50788290909694      3.71054539513759
  O   -4.19024667111412     -2.62978312077207      3.83223303064269
  C   -4.14297384346004     -0.40059663592543      4.41980227631268
  F   -5.15905144942496     -0.85959865082882      5.22547879848342
  S   -3.88517523810132      1.20984502931430      4.35584119337541
  C   -7.07131363117084     -5.53513264681466      3.21972934653062
  C   -7.91480413192870     -6.52371163157565      3.78286370057113
  C   -9.20066256325003     -6.21934175442120      4.20127281131472
  C   -9.73070982175583     -4.92578694977502      4.05275901248194
  C   -8.96061751253763     -3.95569368263990      3.44134644439687
  C   -7.64318837502336     -4.23085708098907      3.00872247635255
  C   -6.94563125260839     -3.26578174568514      2.20385226110792
  O   -5.73235280984383     -3.32754441576262      1.88735567520301
  C   -7.69662274250665     -2.08852256974665      1.63463757223237
  F   -8.60176368461465     -2.46685959095136      0.70296308961089
  S   -7.44885767929849     -0.56764797326835      2.07662645298071
  C   -2.61264497061250     -4.33477899464496      5.68812320472148
  C   -1.30424108740591     -4.19245178896273      6.20740192605103
  C   -1.05801151129410     -3.44930383216644      7.35164256808966
  C   -2.10507419649825     -2.83957826583010      8.06167410881654
  C   -3.40161076831945     -3.01555910116210      7.62156371280557
  C   -3.68851191981509     -3.75527303645662      6.44994115266142
  C   -5.05496708621618     -4.02114908498967      6.10185282068017
  O   -5.46308634019569     -4.44730589720926      4.98919134501844
  C   -6.15973531384670     -3.92268686261849      7.12333691596215
  F   -7.16363985115030     -3.15209378269110      6.66381326584486
  S   -6.23920197664747     -4.74350254968990      8.50195073868355
  H   -0.47005475619633     -3.42187401181155      0.76027267724667
  H   1.08503720098448     -1.58083628917149      1.01388081418804
  H   0.51493966537386      0.37155798236254      2.48662776560242
  H   -1.63402743462150      0.38500819194008      3.70084226598509
  H   -7.52706436872669     -7.52733948271663      3.95010527049129
  H   -9.80213046277618     -6.99876309431760      4.67247760524301
  H   -10.73656259863897     -4.69602524321672      4.40256018094206
  H   -9.36750660254559     -2.95370797846953      3.29400419818101
  H   -0.46097298061510     -4.61533892732827      5.66494596571675
  H   -0.02786486143427     -3.32424042477074      7.68928485416496
  H   -1.89899577329014     -2.24298342026007      8.94964962325142
  H   -4.22663128856159     -2.56231805268629      8.17014055445895
  N   -4.07856307287201     -4.47030424162378     -0.10322834425920
  H   -3.91780566952940     -4.61892589757165     -1.10272683348091
