 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 
    20     8     1     1     1     1
Direct
  0.0756621377504340  0.1572069034821797  0.4650940219613049
  0.1606475172906758  0.0728521368377538  0.4647026276054415
  0.0752560175420520  0.4081494254734802  0.4677716267450412
  0.1581119885394714  0.3197376139752692  0.4670827086630101
  0.0895249947770938  0.6584974675633690  0.4682963966180163
  0.0876894782422763  0.9093802404501614  0.4651785606348130
  0.1725331933010030  0.8241926190931357  0.4669549300430065
  0.3228870851277042  0.1537391087721556  0.4679462782728792
  0.4107538371457378  0.0715240719695280  0.4699498686995158
  0.3382729031854762  0.9070541957594312  0.4690674055705855
  0.6615705731646888  0.0857339887914615  0.4731592400093988
  0.5887012506610666  0.9214175615097528  0.4722193180163526
  0.6774941421871431  0.8392819456282627  0.4729294403959293
  0.8272715994087809  0.1696765449122762  0.4713270490654061
  0.9125302957028359  0.0846677094254095  0.4673790326655693
  0.9110314556974300  0.3351965223431955  0.4710476367153346
  0.8434155896781167  0.6747006955235271  0.4721515829819779
  0.9250066568830780  0.5863117579074384  0.4709207170045472
  0.8398955995348386  0.9215275376683695  0.4685748473464078
  0.9243540111587514  0.8368477398655235  0.4674152425202536
  0.4289686800100849  0.8365259723328098  0.4727542087610403
  0.1603431002624726  0.5679546301602001  0.4688785647175879
  0.6036738258807176  0.6801506386965019  0.4795024036454098
  0.3172432560158692  0.3936256153457565  0.4725138971700405
  0.6823303701005748  0.5980174909726609  0.4800355232518550
  0.3998934668350752  0.3149684972646082  0.4733866423274111
  0.8380639159831373  0.4261135282253575  0.4750886398066943
  0.5704509197598486  0.1578085034892719  0.4757938750189072
  0.3798134324353580  0.6170201718241257  0.4754876518970790
  0.6194476882632786  0.3764184656086823  0.4935681723085052
  0.6006021591852627  0.3653352477635543  0.6177631839346018
  0.6604832928509330  0.4704875745003699  0.6418095043480724
 
  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
