#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
AYA      AYA 'N-ACETYLALANINE                     ' non-polymer        18   9 M
#
data_comp_AYA
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
 AYA           N      N    .         0.000
 AYA           CA     C    .         0.000
 AYA           CB     C    .         0.000
 AYA           C      C    .         0.000
 AYA           O      O    .         0.000
 AYA           OXT    O    .         0.000
 AYA           CT     C    .         0.000
 AYA           OT     O    .         0.000
 AYA           CM     C    .         0.000
 AYA           HN     H    .         0.000
 AYA           HA     H    .         0.000
 AYA           HB1    H    .         0.000
 AYA           HB2    H    .         0.000
 AYA           HB3    H    .         0.000
 AYA           HXT    H    .         0.000
 AYA           HM1    H    .         0.000
 AYA           HM2    H    .         0.000
 AYA           HM3    H    .         0.000
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
 AYA        N      CA        single
 AYA        N      CT        single
 AYA        N      HN        single
 AYA        CA     CB        single
 AYA        CA     C         single
 AYA        CA     HA        single
 AYA        CB     HB1       single
 AYA        CB     HB2       single
 AYA        CB     HB3       single
 AYA        C      O         double
 AYA        C      OXT       single
 AYA        OXT    HXT       single
 AYA        CT     OT        double
 AYA        CT     CM        single
 AYA        CM     HM1       single
 AYA        CM     HM2       single
 AYA        CM     HM3       single