 C  N Pd Ru  O  H                       
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Pd   Ru   O    H 
    22     6     1     1     1     1
Direct
  0.0805375031504694  0.1712870131904280  0.4577855256257558
  0.0860872401977242  0.4273002243112398  0.4590795830004475
  0.1658709319128477  0.3433635291393882  0.4559709901553943
  0.0922736740908474  0.6831976724189864  0.4637945590732439
  0.1694048064888836  0.5952435277750786  0.4604704961158188
  0.0867494076604824  0.9304956301966795  0.4630167839675797
  0.1785038063850796  0.8543346213990338  0.4653757595940823
  0.3336981070782156  0.6789886343760894  0.4624474330403374
  0.4094211251838158  0.5901126300892148  0.4632690179372591
  0.3476981558714514  0.9388727161298515  0.4704054868481823
  0.4215463569383469  0.8462121960625838  0.4685312592428669
  0.6007060737764394  0.1779156338909956  0.4809870180372302
  0.6761723178960767  0.0895442739052661  0.4721161183574313
  0.5870641144198170  0.9220748239870176  0.4692173149266945
  0.6612598248397221  0.8302833034055171  0.4706073125422285
  0.8395656587627434  0.1717968281057046  0.4674486918534502
  0.9157041291168093  0.0834454432791071  0.4638467999065951
  0.8434436715433642  0.4233223979883673  0.4742897001027317
  0.9224462886135913  0.3395475753095170  0.4653856374531172
  0.9271308887880142  0.5932709091798105  0.4686636321943107
  0.8289512743590334  0.9120683032587108  0.4682931056925565
  0.9166629214337820  0.8321365015468175  0.4683124920030226
  0.5692568888860698  0.6659020247442008  0.4775439914149613
  0.3274378447067305  0.4298295035770490  0.4555428793459512
  0.1594443658630090  0.0903409681924502  0.4561848633625336
  0.8418736131940774  0.6689730687376069  0.4732007001852608
  0.6848840278161054  0.3410265241286213  0.4902489869008008
  0.4411584792254298  0.1015824786366893  0.4772556004316438
  0.3890178694601315  0.2689922354919324  0.4611115812414679
  0.6295787258762510  0.5122208214227635  0.5168382745646879
  0.5734827631069863  0.4349583201807525  0.6295707661925312
  0.5584228044101864  0.3299678689404809  0.6386508974757037
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
