71
Coordinates from ORCA-job /scratch/magstr/orcajob__5670623-pSMz/orca
  N   -3.32617702947847     -4.07663056962019      1.65788407249824
  C   -2.88512275920701     -4.97927199725008      0.60584934252868
  C   -2.47752475971058     -6.25982647019617      1.27308802757202
  N   -3.55907924241585     -6.65573021327066      2.21224689276081
  C   -4.72416498067983     -7.12383242300959      1.40915866638252
  C   -6.03760660947775     -6.83748862226953      2.08302940382089
  N   -6.05617353710525     -5.48265416888051      2.63142255757975
  Mo  -4.16343055271305     -4.88864249996311      3.59278930934605
  N   -2.54070633284191     -5.75705438918859      4.56220993053176
  C   -2.04663807223945     -7.05851824609120      4.07783814769409
  C   -3.04591069032411     -7.69614773225541      3.13253011395535
  H   -1.86856045457550     -7.73951916382505      4.92519207827807
  H   -1.07522573552993     -6.93146537590299      3.56971702692161
  H   -3.89919265072930     -8.10484459944000      3.68304168044098
  H   -2.56712450167213     -8.50413222121892      2.55402111036797
  H   -6.82665829059082     -6.95845975963187      1.32237862108517
  H   -6.23899998732936     -7.58156164629862      2.87535678579453
  H   -4.70138346307664     -6.59178962252070      0.45296815060267
  H   -4.61242085100301     -8.19866877530290      1.19578012804265
  H   -2.02570564066486     -4.55222868069587      0.06508810645955
  H   -3.66889363823159     -5.15949541992406     -0.15167854315328
  H   -1.55504922764753     -6.09846532802144      1.84031610194474
  H   -2.30860879653268     -7.07192856086531      0.54635573812315
  C   -3.36922098956601     -2.77163229103974      1.28142876407623
  C   -3.59646872508944     -2.40385982596057     -0.08045557212662
  C   -3.68562625742421     -1.08705234790278     -0.47335736370730
  C   -3.49604131568951     -0.06688975180574      0.47422880215926
  F   -3.62819046897313      1.21589992349435      0.07370665860162
  C   -3.19270689524177     -0.34509464787903      1.78219801015278
  C   -3.10286256059245     -1.69149400083383      2.20576449002656
  C   -2.61842980729618     -2.05183903470727      3.49775487922944
  O   -2.89714895858915     -3.16057578099553      4.04786249885714
  C   -1.68121942846471     -1.18448932458356      4.26925702044187
  F   -1.67085033350546     -1.55535856036170      5.57238282925945
  S   -0.70073556671886     -0.01117214475543      3.74326772445545
  C   -7.25918545622443     -5.10196409667952      3.16056291748688
  C   -8.38137963041602     -5.98514575999109      3.17925948642604
  C   -9.58251526816241     -5.63951868283763      3.77092906465701
  C   -9.73167486581461     -4.37980287944355      4.36486758704011
  F   -10.89526757540462     -4.08374750266768      4.98497145350780
  C   -8.71894128337699     -3.45653961875489      4.33071958503653
  C   -7.48990779285701     -3.78069504229241      3.70787242146833
  C   -6.47051705238641     -2.80147657894233      3.55037165233402
  O   -5.27433048979649     -3.10919040486215      3.24822130365057
  C   -6.71088528087483     -1.33165729851387      3.62410384977906
  F   -5.57954518533255     -0.69941027719285      4.02843767418207
  S   -8.02039106730590     -0.48891384286445      3.19289333292614
  C   -1.91720505810794     -5.26421847179366      5.68103466035669
  C   -0.58565950313147     -5.68218990252032      5.96992462395939
  C   0.13272371060532     -5.19549786444687      7.04299775127463
  C   -0.46918289308195     -4.27256743006795      7.90457216613438
  F   0.25297830162922     -3.76309745474465      8.92732850193888
  C   -1.76806135009766     -3.87247583458084      7.72290005110496
  C   -2.53416555843578     -4.36330430378773      6.63356900842976
  C   -3.90966474605123     -3.95476204155819      6.56029306101796
  O   -4.65552356031957     -4.00586817419884      5.54213759560497
  C   -4.66195561024007     -3.49209824550774      7.78176675269108
  F   -5.59391961452486     -2.57971149486643      7.43033088226499
  S   -4.58121135654359     -4.07610776419195      9.28164974744635
  H   -3.79181982041888     -3.17858603409229     -0.81882377787300
  H   -3.93482091073927     -0.82382466004139     -1.50216964659038
  H   -3.05474041467024      0.46936635950687      2.48933226638870
  H   -8.30501540456803     -6.98051289706019      2.75192304795529
  H   -10.41038774880282     -6.34936202951302      3.79907244705327
  H   -8.85880928188998     -2.48412556667459      4.79718702681457
  H   -0.08408563313388     -6.36975280037966      5.29408427978465
  H   1.16570213894365     -5.50299871557383      7.21016205402634
  H   -2.19014249721125     -3.14129134846512      8.40790376026425
  N   -5.00209857299430     -6.33019357165474      4.69002155097883
  H   -6.00026731052765     -6.53779119256581      4.71564287785916
  H   -4.52571524680731     -6.68446230320423      5.51723279161518
