 C  N Pd Fe  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   Fe   O    H 
    22     6     1     1     1     1
Direct
  0.0859308586167636  0.1717462866455918  0.4725500508069431
  0.1720277923424607  0.0898726156920729  0.4756120065571817
  0.0804989930586035  0.4143228447248601  0.4660929766430800
  0.0860734552987523  0.6693295335986842  0.4669480863805048
  0.1655473449010040  0.5844635056594434  0.4662690928743721
  0.0883022002993249  0.9205380602871088  0.4731012869510701
  0.1713865224515826  0.8372427445564319  0.4713075707832229
  0.3426492247066882  0.1756545873094595  0.4820533105144543
  0.4245474083827001  0.0881833462416143  0.4780832227871387
  0.3381826946505687  0.9200756763352300  0.4739683088958306
  0.4135806442973121  0.8271441335958113  0.4730945789837762
  0.5921636662786286  0.1722054455229607  0.4751209916028422
  0.6671850054848220  0.0782835084094911  0.4736649332321969
  0.5814705724041841  0.9089903201569018  0.4762709708476706
  0.6663812158214418  0.8231491569130527  0.4827715512911440
  0.8336343200101531  0.1615734038454799  0.4715488164239964
  0.9175930558525177  0.0787539189192162  0.4738238524307410
  0.8368018287440753  0.4145531086009755  0.4677418213189666
  0.9161802042057577  0.3294025794537227  0.4670094345911853
  0.9215585746496597  0.5841806884072996  0.4674450837562854
  0.8357294554348461  0.9105511117174394  0.4780010764632555
  0.9192408469217940  0.8265501243072260  0.4745052747710120
  0.3254355726282996  0.6665653948221756  0.4693697835350868
  0.1583446624049746  0.3322687040391156  0.4688835488490955
  0.5955012145036159  0.6688037863659031  0.4932487359795102
  0.4261841289225635  0.3301278814559976  0.4918145097485716
  0.6776297513389563  0.3348025252058283  0.4734104479464757
  0.8419751519297873  0.6638977338838827  0.4724779275551474
  0.3809649255504122  0.4994534965503362  0.4791798447261258
  0.6260463103330239  0.4992926437637307  0.4986693082677502
  0.6745058381300385  0.4982919823781763  0.6132891337264731
  0.5997855831825641  0.5133872903066389  0.6470494575639395
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
