 C  N Pd Co  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   Co   O    H 
    22     6     1     1     1     1
Direct
  0.0856881668930760  0.1703893378397687  0.4739672819485011
  0.1712637407082680  0.0883020632149013  0.4745173418442741
  0.0802054875466512  0.4132631369043504  0.4718497122666577
  0.0859808739752096  0.6683436396087046  0.4714840053771268
  0.1650502845486822  0.5830425974606317  0.4720195206715618
  0.0878305407288979  0.9191481131723017  0.4738103465130663
  0.1709986696929431  0.8358899527531551  0.4731654910666839
  0.3428294630057008  0.1750615194845657  0.4766672388864641
  0.4243826006603864  0.0867151491446078  0.4761964184596594
  0.3381435169000875  0.9191093269512207  0.4746033583175868
  0.4134599425389498  0.8259784207852032  0.4745957330544225
  0.5918505881034025  0.1711088908970461  0.4756466858753777
  0.6668674966653136  0.0771642727324331  0.4749144705770882
  0.5810169608872504  0.9080055377625321  0.4756565520686499
  0.6658617346760723  0.8212686974879780  0.4789992338601421
  0.8333170820179818  0.1604563916598331  0.4740099116980190
  0.9172894416587293  0.0772414464116717  0.4748605757331256
  0.8365613566416437  0.4132723640385456  0.4717922613453822
  0.9158670866533327  0.3279189105005100  0.4717921245033980
  0.9213541656924599  0.5830099522195304  0.4711825575516250
  0.8358960374413656  0.9096075954188081  0.4767282270298743
  0.9187483376090108  0.8251289479432674  0.4746118552243204
  0.3250712578977304  0.6653088432065639  0.4736723677294346
  0.1579867966919555  0.3310007227074735  0.4731504799215271
  0.5956425358788749  0.6675425493677066  0.4842785812879515
  0.4266655713786301  0.3290045133511056  0.4790851745470854
  0.6776827219314572  0.3337845929834143  0.4746749088293111
  0.8416941081625495  0.6623610030731758  0.4726699331204341
  0.3808879216535275  0.4981449055169477  0.4775829535396556
  0.6271716971820528  0.4979705837987515  0.4919809176045583
  0.6613451042720626  0.4951469013771937  0.6131753533764995
  0.6184277334436186  0.5539672598979603  0.6410354229755858
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
