 C  N Fe Pd  O  H                       
   1.00000000000000     
     9.8736660799999996    0.0000000000000000    0.0000000000000000
    -4.9368330399999980    8.5508456537647159    0.0000000000000000
     0.0000000000000006    0.0000000000000011   15.6500000000000004
   C    N    Fe   Pd   O    H 
    22     6     1     1     1     1
Direct
  0.0770139202766737  0.1609698942277499  0.4648738474093075
  0.0826323790745461  0.4163545278690987  0.4618212283348910
  0.1638728576294332  0.3330079515168611  0.4652500997878032
  0.0881422611350447  0.6731613779943197  0.4631830881261096
  0.1644919934050467  0.5846781009827140  0.4635483416943618
  0.0831717254114570  0.9218880801929958  0.4667887884625185
  0.1736069252687487  0.8440843214240024  0.4663011205793606
  0.3278896254099795  0.6689094255030900  0.4661555890830794
  0.4040165294951935  0.5806579690571267  0.4697961272513300
  0.3423633685971401  0.9294180007680419  0.4668927479053793
  0.4161572320229280  0.8365262644939354  0.4657990807497679
  0.5920769917974177  0.1670763712726216  0.4631752958139788
  0.6697531545335319  0.0792261372031953  0.4615493048612149
  0.5816540428442389  0.9124481221603676  0.4648845078350436
  0.6558227282070226  0.8202182678722866  0.4671606234583204
  0.8339332246204174  0.1616692949130089  0.4604390483103000
  0.9109205127028991  0.0735861593646007  0.4624331435736090
  0.8376544812790863  0.4130875571815469  0.4602062604907968
  0.9183155194651683  0.3296036954730166  0.4597760029399154
  0.9228266408456681  0.5845969362962710  0.4607378816709205
  0.8244452257587722  0.9028108392312904  0.4645370443775834
  0.9138085685515221  0.8237238018380704  0.4635995756341867
  0.5629947353970877  0.6585244460316650  0.4720040963940612
  0.3253913913315662  0.4178074914972905  0.4712310762798972
  0.1565670868387148  0.0813664425851028  0.4702023939105527
  0.8427708640124194  0.6641358076515980  0.4604072590645917
  0.6761522931463457  0.3286142714163718  0.4623442570808639
  0.4330395182036749  0.0929042577533618  0.4685894416095595
  0.3731345278507789  0.2490157247610443  0.5138449073072072
  0.6145908052850123  0.4909757070446910  0.4698782914019580
  0.3803009802162381  0.2554902973022633  0.6306168938926503
  0.4467425597114735  0.3547202780746930  0.6592152035605749
 
  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
