No title                                
           1
    10.000000    0.000000    0.000000
     0.000000   10.000000    0.000000
     0.000000    0.000000   10.000000
   C    F    H 
     3     7     2
Direct configuration=     1
   0.38015946  0.30901228  0.44357793
   0.51129855  0.36722824  0.50737919
   0.63630826  0.38882503  0.42110593
   0.72662127  0.45202634  0.49791542
   0.69509081  0.26755038  0.38002467
   0.60813848  0.45846076  0.31131292
   0.39449417  0.17303491  0.40776785
   0.28319869  0.31502087  0.53660104
   0.53809995  0.30605624  0.62061608
   0.34738185  0.37589554  0.33389251
   0.47021006  0.58240889  0.52693149
   0.50367831  0.78291702  0.47395672