 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
  0.0828000089927441  0.1717728907676295  0.4699181409835271
  0.1682553785730964  0.0893570440594313  0.4743342057499044
  0.0780214136677553  0.4146644361930386  0.4600585744990970
  0.0836220622397322  0.6697468174893075  0.4608650361825047
  0.1631180937790633  0.5848273174141040  0.4601599042909534
  0.0853769035947520  0.9209839039415914  0.4703210809737099
  0.1682996631224289  0.8373548598428054  0.4673811869973930
  0.3365309195729432  0.1725614480611476  0.4857355576495252
  0.4207433496482036  0.0876924547632168  0.4784774406099878
  0.3349095659829192  0.9200300893743947  0.4713311926260255
  0.4106870713045321  0.8276837418093574  0.4702043360462043
  0.5885275781541895  0.1708508402948290  0.4739871228601620
  0.6640970394900347  0.0784508145493168  0.4704194447338443
  0.5785880939208827  0.9101385305990700  0.4744075940105297
  0.6637414070323894  0.8269673181357562  0.4854314305976570
  0.8306974564129425  0.1620934247354787  0.4672334070029351
  0.9146413865675419  0.0793941962538668  0.4709228541204157
  0.8340495672092179  0.4144629599898580  0.4630256691747962
  0.9136134683474327  0.3297559242479853  0.4607757150779812
  0.9193318492007833  0.5850514385751984  0.4629267825463071
  0.8327911957188341  0.9117173290664068  0.4779910997303438
  0.9173820106919112  0.8285545362864850  0.4735755868869103
  0.3228190597866938  0.6670904769580319  0.4656323784904923
  0.1554289088505736  0.3323549996428126  0.4654509493718771
  0.5907187021923785  0.6750649158684637  0.5048683271925960
  0.4154884929765982  0.3244973132450052  0.5051169264163212
  0.6753457186670836  0.3323635420789179  0.4731040213209985
  0.8426613836569831  0.6671096745229910  0.4727209007072336
  0.3752013149309785  0.4997098297989627  0.4845546501416160
  0.6237657071039350  0.4998268687410100  0.5088743694245447
  0.7207429729463339  0.5011416678760792  0.6200359894750375
  0.6510412794019852  0.5003865344893095  0.6645351209136174
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
