 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 
    20     8     1     1     1     1
Direct
  0.0789435239342138  0.1596750523568815  0.4683770293959098
  0.1632671064571121  0.0744417600709153  0.4657437581238983
  0.0796752802900804  0.4109051810770679  0.4704980314983957
  0.1621995707092046  0.3228104945514392  0.4702416773827533
  0.0933611502094574  0.6589155733617312  0.4670382448451739
  0.0896185846086878  0.9101909912274129  0.4646067679557069
  0.1751305487205377  0.8247821512709431  0.4651551979748243
  0.3261098137163234  0.1577088549259958  0.4678769464205804
  0.4146276386195495  0.0730333202644908  0.4688393334106708
  0.3409903098625299  0.9066512743788152  0.4669708501913435
  0.6626588742465013  0.0861531130749444  0.4733159547063036
  0.5888594607459822  0.9200390243069527  0.4710005936726360
  0.6769182777183691  0.8373680041899751  0.4710964394975762
  0.8293049650357108  0.1704591747038977  0.4731262163739022
  0.9144096204542953  0.0852822412168487  0.4699880716948132
  0.9136293704939290  0.3371569510967786  0.4729514633391623
  0.8423442150444131  0.6736764943440341  0.4689158561893223
  0.9269729414078175  0.5852278762362959  0.4691043358422231
  0.8400866296464893  0.9207790291313283  0.4689598806027456
  0.9253423600463756  0.8364579189860151  0.4663105914725703
  0.4291227586040932  0.8299300870094986  0.4696431962875931
  0.1699721628771859  0.5706636891800494  0.4692995957925571
  0.5964331627575294  0.6761391387959484  0.4734207040678043
  0.3234767317739262  0.4033991447421051  0.4720827861793535
  0.6803221133632207  0.5951061536981238  0.4749304555895354
  0.4043488561008221  0.3196677696128373  0.4728705000398162
  0.8394911422593437  0.4264165243239609  0.4743382964689049
  0.5734259681946535  0.1604307058968316  0.4748138362806810
  0.3815329848143246  0.6180415003873978  0.4717837653226356
  0.6202373778482516  0.3794136190288635  0.5021809761898336
  0.6196802030928100  0.3745886141069673  0.6207054535776561
  0.5814307309075297  0.4366106955802342  0.6495639923351146
 
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
