94   94  800    1
  0.1115715E+02  0.1016000E-08  0.1016000E-08  0.1016000E-08  0.5000000E-15
  1.000000000000000E-004
  CAR 
 structure opt. SiCONB type 1 3(SiO)B fro
    379      8    237