ATOMTYPES    27      0.10
   1 PSEUD    -10.00    0    0
   2 H_ALI      1.00    0    1
   3 H_AMI      0.95    1    1
   4 H_ARO      1.00    0    1
   5 H_SUL      1.00    1    1
   6 H_OXY      1.00    1    1
   7 C_ALI      1.60    0    6
   8 C_BYL      1.50    0    6
   9 C_ARO      1.60    0    6
  10 C_VIN      1.60    0    6
  11 N_AMI      1.45   -1    7
  12 N_AMO      1.50    0    7
  13 O_BYL      1.30   -1    8
  14 O_HYD      1.30   -1    8
  15 O_EST      1.30   -1    8
  16 S_OXY      1.80    0   16
  17 S_RED      1.80    0   16
  18 P_ALI      1.80    0   15
  19 METAL      1.80    0   50
  20 DUMMY    -10.00    0  999
  21 X_XXX      1.80    0   50
  22 H_XXX      1.00    0    1
  23 C_XXX      1.60    0    6
  24 N_XXX      1.45   -1    7
  25 O_XXX      1.30   -1    8
  26 S_XXX      1.80    0   16
  27 P_XXX      1.80    0   15