 C  N Fe 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    Fe   Co   O    H 
    22     6     1     1     1     1
Direct
  0.0773310937617998  0.1599095360261537  0.4656247928658288
  0.0823577822654684  0.4154613075191843  0.4620120859038995
  0.1636625299782079  0.3320868899865956  0.4630567518023352
  0.0878735933398056  0.6721207111635410  0.4644022861798686
  0.1654200009054087  0.5839881484089643  0.4628448100323087
  0.0826943751049760  0.9203284883957011  0.4695126724619491
  0.1738663277257953  0.8431500765147055  0.4675586863026735
  0.3297272232398662  0.6671166155956582  0.4643448455881119
  0.4066859316129192  0.5783304338895272  0.4662037943755110
  0.3427107536713342  0.9278533585378702  0.4669118725103115
  0.4168896538054473  0.8350755286747465  0.4652381017462926
  0.5933595118019241  0.1683552463948926  0.4654082388057173
  0.6701373349735616  0.0792066888056755  0.4634236419624689
  0.5823264553348996  0.9110619217435835  0.4651345433908633
  0.6565435498395925  0.8182102400179843  0.4681425015440194
  0.8342992265074716  0.1611181698890667  0.4623306158039164
  0.9110977249559185  0.0727377013711139  0.4640451557331672
  0.8365781059096088  0.4128109609579622  0.4638214761897345
  0.9175208039447977  0.3290442572714149  0.4620182672232891
  0.9218363930681480  0.5834051969597605  0.4645517288008643
  0.8248853296690796  0.9017654866346925  0.4673703952361823
  0.9128472040151518  0.8218214094172696  0.4678931087163127
  0.5668141977123032  0.6538540478459328  0.4719583246053622
  0.3258540309943159  0.4156325529633323  0.4634950580039188
  0.1575289106823154  0.0811672582744472  0.4724265351107603
  0.8369329029405997  0.6590217269267945  0.4676030393148217
  0.6750555404874090  0.3324038453267463  0.4661848153619151
  0.4335848158388794  0.0916102559792791  0.4685643860616721
  0.3884038799061072  0.2603612856354162  0.5002630167554195
  0.6246697426110072  0.5017339444088961  0.4836839253248125
  0.5153315693329741  0.3908972269417078  0.5946248395948197
  0.4756811450101726  0.4488324564226226  0.6262929113167698
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
