No title                                
           1
    10.000000    0.000000    0.000000
     0.000000    8.000000    0.000000
     0.000000    0.000000    8.000000
   C    F    H 
     3     7     2
Direct configuration=     1
   0.38393649  0.42257516  0.54076242
   0.43615706  0.57054750  0.43586822
   0.57175077  0.54138876  0.34855344
   0.34193537  0.60650431  0.31408491
   0.26340163  0.46350483  0.60726337
   0.36780917  0.28174672  0.44871143
   0.60694028  0.68201165  0.26384509
   0.66896803  0.50873731  0.46249556
   0.56712885  0.41363472  0.23782135
   0.46910453  0.38841253  0.66849405
   0.44710235  0.67964103  0.51953767
   0.52415562  0.95936985  0.47040416