#
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
AIB      AIB 'ALPHA-AMINOISOBUTYRIC ACID          ' non-polymer        16   7 M
#
data_comp_AIB
#
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
 AIB           N      N    .         0.000
 AIB           CA     C    .         0.000
 AIB           C      C    .         0.000
 AIB           O1     O    .         0.000
 AIB           O2     O    .         0.000
 AIB           CB1    C    .         0.000
 AIB           CB2    C    .         0.000
 AIB           HN1    H    .         0.000
 AIB           HN2    H    .         0.000
 AIB           HO2    H    .         0.000
 AIB           HB11   H    .         0.000
 AIB           HB12   H    .         0.000
 AIB           HB13   H    .         0.000
 AIB           HB21   H    .         0.000
 AIB           HB22   H    .         0.000
 AIB           HB23   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
 AIB        N      CA        single
 AIB        N      HN1       single
 AIB        N      HN2       single
 AIB        CA     C         single
 AIB        CA     CB1       single
 AIB        CA     CB2       single
 AIB        C      O1        double
 AIB        C      O2        single
 AIB        O2     HO2       single
 AIB        CB1    HB11      single
 AIB        CB1    HB12      single
 AIB        CB1    HB13      single
 AIB        CB2    HB21      single
 AIB        CB2    HB22      single
 AIB        CB2    HB23      single