opt                                     
           1
     2.427296    0.000000    0.000000
    -1.213648    2.102100    0.000000
     0.000000    0.000000    6.800000
   C 
     4
Direct configuration=     1
   0.00000000  0.00000000  0.00000000
   0.66666667  0.33333333  0.00000000
   0.99843935  0.00525827  0.50000000
   0.33177269  0.67192494  0.50000000
