72
Coordinates from ORCA-job /scratch/magstr/orcajob__5670629-TOrH/orca
  N   -3.10829621171147     -3.90106014924973      1.48959029231336
  C   -2.92686008949824     -4.79451271389564      0.33275562172450
  C   -2.64322146514690     -6.17741968958376      0.83723738901843
  N   -3.64049086304720     -6.51999836395308      1.87801218520908
  C   -4.91538859404855     -6.96978476712108      1.27119337041709
  C   -5.98306071208875     -6.89385507386912      2.33288174476256
  N   -5.86716605909723     -5.58314199797282      2.96657879413866
  Mo  -4.00729006452469     -4.63900519013075      3.16322423527293
  N   -2.64279721628682     -5.70418126056340      4.21959267649226
  C   -2.04412216381871     -6.92327531338427      3.66619599342838
  C   -3.08536901008418     -7.56376207442858      2.78148628685907
  H   -1.78656632529976     -7.62040461012870      4.47716701772765
  H   -1.10987759831048     -6.70680144522707      3.11936296675643
  H   -3.89641019042625     -7.94405059169087      3.41141203491032
  H   -2.67203133147658     -8.38987545579562      2.18018976539399
  H   -6.97651759868647     -7.00152616013612      1.87110247867871
  H   -5.87327700604494     -7.70220152976810      3.07799578401559
  H   -5.15776729667563     -6.28699466814417      0.44685260919905
  H   -4.80297271030555     -7.98868344978003      0.86687064907789
  H   -2.07763196487218     -4.45461269386622     -0.27708533180667
  H   -3.82223283866060     -4.77375684288017     -0.31228218125543
  H   -1.64728688787360     -6.19448680397737      1.29364862852400
  H   -2.66702519685207     -6.93043627669062      0.03353005863651
  C   -2.92993450386464     -2.55439458926238      1.19578139886923
  C   -2.95780420641853     -2.11911781533027     -0.15817278520940
  C   -2.76114738209717     -0.80078916188867     -0.51849220328320
  C   -2.51225037858957      0.13739279483835      0.48761757498493
  F   -2.34155731675486      1.43295490975581      0.14098802855548
  C   -2.47188114681904     -0.21440823541054      1.81398617193140
  C   -2.68511938015359     -1.55652290577268      2.20957234942355
  C   -2.73894359448600     -1.89825179450796      3.59818810260340
  O   -3.32991655758555     -3.01157911366000      3.96398971750615
  C   -2.22395782329909     -1.10825694020182      4.69773162798960
  F   -2.76546535079102     -1.52700889284825      5.88756478217843
  S   -1.11159798630660      0.08740672287385      4.73482220201846
  C   -6.98287621890921     -5.15526307339983      3.65660628526857
  C   -7.84072041433029     -6.07287071669396      4.30796659666421
  C   -8.90913054934680     -5.63923057741143      5.07622499192943
  C   -9.16389391849896     -4.26878203134068      5.18483310552627
  F   -10.18478213426416     -3.86036107504903      5.96780218038500
  C   -8.42079824370319     -3.33688303166986      4.49172122760110
  C   -7.33263021352708     -3.76774436118723      3.70924133786447
  C   -6.59191284358416     -2.84076181712045      2.87660383559932
  O   -5.44121061858584     -3.08438058435870      2.43936114310234
  C   -7.19182164346872     -1.55725453784680      2.37997116837286
  F   -6.24792801339265     -0.60057445337886      2.27580517184399
  S   -8.70601559741089     -1.32891321358604      1.87501513163903
  C   -2.09597924128587     -5.26908247002643      5.41715958220177
  C   -0.74008577783771     -5.54149577381872      5.71568086805325
  C   -0.12830706879396     -5.03671496505566      6.85318399260298
  C   -0.87907655721826     -4.26541179519068      7.74498289370366
  F   -0.27669102640146     -3.74992118525667      8.83594591211183
  C   -2.22005323294277     -4.02715794341832      7.54087329923026
  C   -2.85341903021069     -4.53584682658692      6.38819339611465
  C   -4.28667281911499     -4.43138313531038      6.23776212180777
  O   -4.88424562049951     -4.55794445495832      5.13233279407888
  C   -5.18968025374742     -4.30690727523141      7.40395882132341
  F   -6.31730078528790     -3.64056523360792      7.07594685894426
  S   -5.02999195956613     -5.00356755204903      8.85952077521351
  H   -3.18435819235569     -2.82423982892313     -0.95264103542284
  H   -2.81759101124911     -0.48652279566659     -1.56047963904566
  H   -2.30087192353291      0.55195020774213      2.56557040602379
  H   -7.62092473419049     -7.13594176086868      4.24763707412446
  H   -9.55336900937789     -6.34593871273019      5.60034260410893
  H   -8.67898439697913     -2.28190303636419      4.55854442879598
  H   -0.13078814588317     -6.10481625848145      5.01237961968443
  H   0.93068512858209     -5.21351713982689      7.04193129033269
  H   -2.77412537806556     -3.43359721579279      8.26417226802862
  N   -5.24121401341164     -7.44563140883975      5.48455164711563
  N   -5.68282396936117     -7.49748648025835      6.61282008996182
  H   -5.09985631552235     -7.73222023073963      7.45972131138391
  H   -6.68907423472152     -7.29166811204489      6.86100340666277
