76   76  800    1
  0.2961138E+02  0.9541110E-09  0.9541110E-09  0.2472148E-08  0.5000000E-15
  1.000000000000000E-004
  CAR 
 H2N-W and H-W on W surface (2*V100, but 
   1016     38    612