477  477  800    1
  0.1123559E+02  0.1750000E-08  0.1750000E-08  0.1750000E-08  0.5000000E-15
  1.000000000000000E-004
  CAR 
 Relax positiion only, LKD ssNMR * Si70C6
   1468      1    976