#
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
APN      APN '2-AMINOETHYLGLYCINE-CARBONYLMETHYLEN' non-polymer        37  21 M
#
data_comp_APN
#
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
 APN           'C8''  C    .         0.000
 APN           'C7''  C    .         0.000
 APN           'O7''  O    .         0.000
 APN           'C5''  C    .         0.000
 APN           'C''   C    .         0.000
 APN           'O1''  O    .         0.000
 APN           OXT    O    .         0.000
 APN           'N4''  N    .         0.000
 APN           'C3''  C    .         0.000
 APN           'C2''  C    .         0.000
 APN           'N1''  N    .         1.000
 APN           N9     N    .         0.000
 APN           C8     C    .         0.000
 APN           N7     N    .         0.000
 APN           C5     C    .         0.000
 APN           C6     C    .         0.000
 APN           N6     N    .         0.000
 APN           N1     N    .         0.000
 APN           C2     C    .         0.000
 APN           N3     N    .         0.000
 APN           C4     C    .         0.000
 APN           'H1'1' H    .         0.000
 APN           'H1'2' H    .         0.000
 APN           'H1'3' H    .         0.000
 APN           'H2'1' H    .         0.000
 APN           'H2'2' H    .         0.000
 APN           HXT    H    .         0.000
 APN           'H3'1' H    .         0.000
 APN           'H3'2' H    .         0.000
 APN           'H5'1' H    .         0.000
 APN           'H5'2' H    .         0.000
 APN           'H8'1' H    .         0.000
 APN           'H8'2' H    .         0.000
 APN           H8     H    .         0.000
 APN           HN61   H    .         0.000
 APN           HN62   H    .         0.000
 APN           H2     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
 APN        'C8''  'C7''     single
 APN        'C8''  N9        single
 APN        'C8''  'H8'1'    single
 APN        'C8''  'H8'2'    single
 APN        'C7''  'N4''     single
 APN        'C7''  'O7''     double
 APN        'C5''  'N4''     single
 APN        'C5''  'C''      single
 APN        'C5''  'H5'1'    single
 APN        'C5''  'H5'2'    single
 APN        'C''   'O1''     double
 APN        'C''   OXT       single
 APN        OXT    HXT       single
 APN        'N4''  'C3''     single
 APN        'C3''  'C2''     single
 APN        'C3''  'H3'1'    single
 APN        'C3''  'H3'2'    single
 APN        'C2''  'N1''     single
 APN        'C2''  'H2'1'    single
 APN        'C2''  'H2'2'    single
 APN        'N1''  'H1'1'    single
 APN        'N1''  'H1'2'    single
 APN        'N1''  'H1'3'    single
 APN        N9     C8        single
 APN        N9     C4        single
 APN        C8     N7        double
 APN        C8     H8        single
 APN        N7     C5        single
 APN        C5     C6        single
 APN        C5     C4        double
 APN        C6     N6        single
 APN        C6     N1        double
 APN        N6     HN61      single
 APN        N6     HN62      single
 APN        N1     C2        single
 APN        C2     N3        double
 APN        C2     H2        single
 APN        N3     C4        single