 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 
    21     7     1     1     1     1
Direct
  0.0862263489927255  0.1678127451780181  0.4604623528458583
  0.1657948958550545  0.0803711845256734  0.4656711918780074
  0.0812498854760544  0.4128911527024635  0.4619684652018306
  0.1696436809436657  0.3310867149024764  0.4631707818330855
  0.0766165831300712  0.6525978747554556  0.4743512016193835
  0.0794219599461562  0.9131286107197257  0.4734940558735209
  0.1618107672049672  0.8241290696878960  0.4754867710121306
  0.3323262118197317  0.1647830445438779  0.4650625502381404
  0.4148831704657102  0.0813221343453769  0.4653676607903283
  0.4161787826398832  0.3335599174605351  0.4689547871323151
  0.3344803048451637  0.9141090141813568  0.4724120838469752
  0.5818581890342097  0.1686376069015396  0.4595344498138840
  0.6699664943826164  0.0920691154913472  0.4573236886915184
  0.6621864327741736  0.3318210226008581  0.4626435980394871
  0.5889828513898453  0.9324487153333015  0.4698097653417743
  0.6773083705150583  0.8550951677941491  0.4790446966476339
  0.8348270139636905  0.1698685200058746  0.4528260894763945
  0.9217240208844926  0.0916506444718192  0.4580620329548033
  0.8313836094992547  0.4125725768186481  0.4627429112750057
  0.9157957891221006  0.3317984286111949  0.4553811512661948
  0.8428509690047480  0.9327752048185847  0.4717944165540338
  0.3317916574924181  0.4096599456141937  0.4714112454049511
  0.5805398821127863  0.4128395134394860  0.4730542260538075
  0.1557673860778420  0.5717646117573513  0.4698594361991535
  0.9138454252867190  0.5709982778888830  0.4761248305425432
  0.4290437053556724  0.8486848029079151  0.4776103241925788
  0.6029790069829917  0.7012182155133750  0.4945463361384184
  0.9170102618413367  0.8463564664098194  0.4811973035399080
  0.3816559648215041  0.6309674047459957  0.4827850175010021
  0.7494998044807011  0.6295524802339580  0.5063711483068210
  0.7590702148844463  0.6146028979970412  0.6285638358622567
  0.7135869957343315  0.6717218319831657  0.6559361899057257
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
