#
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
APB      APB 'M-AMINOPHENYLBORONIC ACID           ' non-polymer        18  10 M
#
data_comp_APB
#
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
 APB           B      B    .         0.000
 APB           O1     O    .         0.000
 APB           O2     O    .         0.000
 APB           C1     C    .         0.000
 APB           C2     C    .         0.000
 APB           C3     C    .         0.000
 APB           C4     C    .         0.000
 APB           C5     C    .         0.000
 APB           C6     C    .         0.000
 APB           N1     N    .         0.000
 APB           HO1    H    .         0.000
 APB           HO2    H    .         0.000
 APB           H2     H    .         0.000
 APB           H4     H    .         0.000
 APB           H5     H    .         0.000
 APB           H6     H    .         0.000
 APB           HN11   H    .         0.000
 APB           HN12   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
 APB        B      O1        single
 APB        B      O2        single
 APB        B      C1        single
 APB        O1     HO1       single
 APB        O2     HO2       single
 APB        C1     C2        single
 APB        C1     C6        double
 APB        C2     C3        double
 APB        C2     H2        single
 APB        C3     C4        single
 APB        C3     N1        single
 APB        C4     C5        double
 APB        C4     H4        single
 APB        C5     C6        single
 APB        C5     H5        single
 APB        C6     H6        single
 APB        N1     HN11      single
 APB        N1     HN12      single