 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 
    21     7     1     1     1     1
Direct
  0.0867628474677570  0.1687698608813402  0.4620491399105645
  0.1659134853978444  0.0807182517854662  0.4667159369235535
  0.0818553355313762  0.4136807406147038  0.4654008120559293
  0.1700079573544422  0.3319317823313950  0.4659938208250813
  0.0763197988069888  0.6531655550307522  0.4750180616326037
  0.0779608768604517  0.9122882764223340  0.4720931832423041
  0.1623821897111948  0.8252515527711859  0.4750786688074675
  0.3325647064642425  0.1650379581369548  0.4669067706817082
  0.4155267458315922  0.0823608547943329  0.4666721747343892
  0.4181347147988252  0.3354771808470358  0.4701259453319356
  0.3347068523894671  0.9143070673957741  0.4724456086248963
  0.5828792580439984  0.1703451254947253  0.4615999265687935
  0.6707180630157173  0.0931518862386029  0.4583685203838518
  0.6624186949695504  0.3340650561460640  0.4642671997950701
  0.5895610054581431  0.9324213140835662  0.4677386618405996
  0.6784301287132477  0.8542883648711413  0.4736485082301945
  0.8358214247627254  0.1712823546868671  0.4549165777710055
  0.9228785087828719  0.0928089940408248  0.4578462812401441
  0.8324401810882602  0.4154582620592022  0.4646478316086737
  0.9165726204623779  0.3332394975482162  0.4588644489539798
  0.8439625184327800  0.9323313152261363  0.4666815539110690
  0.3324372856565980  0.4104888308080031  0.4732604457779386
  0.5810229131505341  0.4154278204179570  0.4718085229255774
  0.1569488945204687  0.5731248065388962  0.4728326962671489
  0.9148661799288837  0.5739303003214936  0.4746188963773385
  0.4296506614803651  0.8485804611968015  0.4761719451311321
  0.6078050122978390  0.7003342279513651  0.4891527906731435
  0.9149623142848975  0.8433841067425000  0.4750274669275278
  0.3840154010182850  0.6310256499663606  0.4823837209690731
  0.7460316521098727  0.6315624049858470  0.5083455594202532
  0.7581638752267481  0.6146697538296670  0.6244453694451950
  0.6965845329417742  0.6479853001758431  0.6578975489913255
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
