 C  N Co 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    Co   Fe   O    H 
    21     7     1     1     1     1
Direct
  0.0884098572052772  0.1701654080701130  0.4657508455874857
  0.1671048718678497  0.0814929680719587  0.4683829332642975
  0.0851248973132963  0.4156527863022620  0.4679478982810801
  0.1724192183475244  0.3341221588814259  0.4681237803030098
  0.0812102802285205  0.6545383070362171  0.4740565766880133
  0.0787254387805521  0.9125244179496868  0.4717401534963181
  0.1642975408909885  0.8256644111808635  0.4735849954074364
  0.3339976762365756  0.1668894919201042  0.4683965032012721
  0.4168017466432647  0.0824080837105715  0.4680388047658330
  0.4194036734121339  0.3384628572623024  0.4701938295602476
  0.3359666752115956  0.9131748308059362  0.4712591811962500
  0.5840909534333636  0.1710403406699943  0.4647639787739961
  0.6712288598249015  0.0928842992195138  0.4625545988586828
  0.6640059889737802  0.3351428076634092  0.4664704635558063
  0.5893226128692716  0.9311096075134286  0.4673454390373081
  0.6764936407182008  0.8520359917200173  0.4710075785918239
  0.8371099300392062  0.1717724041156368  0.4609515506958108
  0.9234723886996815  0.0929398431161906  0.4627841830959863
  0.8352307428588776  0.4171800931101976  0.4670540637310474
  0.9191976592892457  0.3344829232272232  0.4635931191855642
  0.8431625489570264  0.9308801953946778  0.4673601644302904
  0.3356755871894853  0.4188220700265413  0.4720991071186268
  0.5820689608009975  0.4165354052078131  0.4712813785528764
  0.1661027138233532  0.5760143157469590  0.4729216334915418
  0.9196413836548389  0.5754566637174821  0.4737876842406544
  0.4281838259933632  0.8414132202466404  0.4725449451778933
  0.5964222846561564  0.6960830937641591  0.4814681825128063
  0.9154385921596153  0.8427264753372832  0.4731248694752588
  0.3845018406674867  0.6321855678785084  0.4774840414953750
  0.7412108942650476  0.6299481580161485  0.5042640312338010
  0.7526816070856952  0.6205623655930533  0.6206784583835454
  0.6716017448629474  0.6285833518650360  0.6520096225895297
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
