 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 
    20     8     1     1     1     1
Direct
  0.0759717228380242  0.1573373766803555  0.4684878891166077
  0.1613392442068584  0.0735954563886299  0.4678095804870734
  0.0743182485854419  0.4080599803200824  0.4690658705043145
  0.1589454402679342  0.3202169013811687  0.4685065018690335
  0.0883656303413210  0.6580833009006444  0.4692163317480919
  0.0873328393618931  0.9095890710015372  0.4686553020502999
  0.1724386482102141  0.8243687028872217  0.4691192515578040
  0.3251873263876700  0.1565492096130720  0.4681062637287266
  0.4132195139660713  0.0747073727670837  0.4708703594398812
  0.3387926308405259  0.9084855731555155  0.4706802899819177
  0.6614700321637128  0.0875848808818528  0.4747867080086663
  0.5885719441892171  0.9220725319297914  0.4743206200943254
  0.6765804305989523  0.8378237884499725  0.4747355289773800
  0.8268875640768254  0.1698082067937285  0.4732113688211970
  0.9123474688030423  0.0844978358664727  0.4710453668080035
  0.9091980920049030  0.3352378456671521  0.4715020391728634
  0.8406801802654201  0.6719415635892045  0.4720481292687722
  0.9220384467027537  0.5836839681458909  0.4704796375733239
  0.8393923606587887  0.9208118018817429  0.4720081966769298
  0.9233309640622333  0.8357298856627718  0.4702924869344360
  0.4287954269090883  0.8372943274384520  0.4736910270864416
  0.1593593953585964  0.5678834213975966  0.4688439112851296
  0.6023539144425475  0.6773058099653455  0.4775756774106153
  0.3190800314061506  0.3944123103778959  0.4692520078830319
  0.6800227131359566  0.5924210497294277  0.4769534973208758
  0.4040180218191491  0.3169597763731346  0.4682623992514485
  0.8333657882829787  0.4244034752866572  0.4719693181492201
  0.5722906167691713  0.1630895378910226  0.4753581927620306
  0.3794413399110962  0.6171285156892526  0.4729990693394310
  0.6194216110788869  0.3766228243362366  0.4920571938048040
  0.6050797653754533  0.3651625295205321  0.6092475989848197
  0.6642870815403892  0.4692532911661366  0.6345931826245008
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
