#
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
AAC      AAC 'ACETYLAMINO-ACETIC ACID             ' non-polymer        15   8 M
#
data_comp_AAC
#
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
 AAC           C1     C    .         0.000
 AAC           C2     C    .         0.000
 AAC           C3     C    .         0.000
 AAC           C4     C    .         0.000
 AAC           N1     N    .         0.000
 AAC           O1     O    .         0.000
 AAC           O2     O    .         0.000
 AAC           O3     O    .         0.000
 AAC           HO1    H    .         0.000
 AAC           HC21   H    .         0.000
 AAC           HC22   H    .         0.000
 AAC           HN1    H    .         0.000
 AAC           HC41   H    .         0.000
 AAC           HC42   H    .         0.000
 AAC           HC43   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
 AAC        C1     C2        single
 AAC        C1     O1        single
 AAC        C1     O2        double
 AAC        C2     N1        single
 AAC        C2     HC21      single
 AAC        C2     HC22      single
 AAC        C3     C4        single
 AAC        C3     N1        single
 AAC        C3     O3        double
 AAC        C4     HC41      single
 AAC        C4     HC42      single
 AAC        C4     HC43      single
 AAC        N1     HN1       single
 AAC        O1     HO1       single