#
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
APT      APT '2-AMINO-6-[(4-CARBOXY-PHENYLAMINO)-M' non-polymer        36  23 M
#
data_comp_APT
#
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
 APT           C8     C    .         0.000
 APT           N9     N    .         0.000
 APT           C9     C    .         0.000
 APT           N3     N    .         1.000
 APT           C10    C    .         0.000
 APT           N2     N    .         0.000
 APT           N1     N    .         0.000
 APT           C11    C    .         0.000
 APT           O6     O    .         0.000
 APT           C12    C    .         0.000
 APT           N7     N    .         0.000
 APT           C13    C    .         0.000
 APT           C14    C    .         0.000
 APT           N4     N    .         0.000
 APT           C1     C    .         0.000
 APT           C2     C    .         0.000
 APT           C3     C    .         0.000
 APT           C4     C    .         0.000
 APT           C5     C    .         0.000
 APT           C6     C    .         0.000
 APT           C7     C    .         0.000
 APT           O2     O    .         0.000
 APT           O3     O    .         0.000
 APT           H82    H    .         0.000
 APT           H81    H    .         0.000
 APT           H21    H    .         0.000
 APT           H22    H    .         0.000
 APT           H9     H    .         0.000
 APT           H3     H    .         0.000
 APT           HN4    H    .         0.000
 APT           H1     H    .         0.000
 APT           H2     H    .         0.000
 APT           H4     H    .         0.000
 APT           H5     H    .         0.000
 APT           HO6    H    .         0.000
 APT           HO2    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
 APT        C8     C13       single
 APT        C8     N4        single
 APT        C8     H81       single
 APT        C8     H82       single
 APT        N9     C9        double
 APT        N9     C14       single
 APT        C9     N3        single
 APT        C9     C12       single
 APT        N3     C10       double
 APT        N3     H3        single
 APT        C10    N2        single
 APT        C10    N1        single
 APT        N2     H21       single
 APT        N2     H22       single
 APT        N1     C11       double
 APT        C11    O6        single
 APT        C11    C12       single
 APT        O6     HO6       single
 APT        C12    N7        double
 APT        N7     C13       single
 APT        C13    C14       double
 APT        C14    H9        single
 APT        N4     C6        single
 APT        N4     HN4       single
 APT        C1     C2        double
 APT        C1     C6        single
 APT        C1     H1        single
 APT        C2     C3        single
 APT        C2     H2        single
 APT        C3     C4        double
 APT        C3     C7        single
 APT        C4     C5        single
 APT        C4     H4        single
 APT        C5     C6        double
 APT        C5     H5        single
 APT        C7     O2        single
 APT        C7     O3        double
 APT        O2     HO2       single