#
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
AGP      AGP '2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE' non-polymer        32  16 M
#
data_comp_AGP
#
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
 AGP           C1     C    .         0.000
 AGP           O1     O    .         0.000
 AGP           C2     C    .         0.000
 AGP           N2     N    .         0.000
 AGP           C3     C    .         0.000
 AGP           O3     O    .         0.000
 AGP           C4     C    .         0.000
 AGP           O4     O    .         0.000
 AGP           C5     C    .         0.000
 AGP           O5     O    .         0.000
 AGP           C6     C    .         0.000
 AGP           O6     O    .         0.000
 AGP           P      P    .         0.000
 AGP           O1P    O    .         0.000
 AGP           O2P    O    .         0.000
 AGP           O3P    O    .         0.000
 AGP           H11    H    .         0.000
 AGP           H12    H    .         0.000
 AGP           HO1    H    .         0.000
 AGP           H2     H    .         0.000
 AGP           HN21   H    .         0.000
 AGP           HN22   H    .         0.000
 AGP           H3     H    .         0.000
 AGP           HO3    H    .         0.000
 AGP           H4     H    .         0.000
 AGP           HO4    H    .         0.000
 AGP           H5     H    .         0.000
 AGP           HO5    H    .         0.000
 AGP           H61    H    .         0.000
 AGP           H62    H    .         0.000
 AGP           HOP2   H    .         0.000
 AGP           HOP3   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
 AGP        C1     C2        single
 AGP        C1     O1        single
 AGP        C1     H11       single
 AGP        C1     H12       single
 AGP        O1     HO1       single
 AGP        C2     C3        single
 AGP        C2     N2        single
 AGP        C2     H2        single
 AGP        N2     HN21      single
 AGP        N2     HN22      single
 AGP        C3     C4        single
 AGP        C3     O3        single
 AGP        C3     H3        single
 AGP        O3     HO3       single
 AGP        C4     C5        single
 AGP        C4     O4        single
 AGP        C4     H4        single
 AGP        O4     HO4       single
 AGP        C5     C6        single
 AGP        C5     O5        single
 AGP        C5     H5        single
 AGP        O5     HO5       single
 AGP        C6     O6        single
 AGP        C6     H61       single
 AGP        C6     H62       single
 AGP        O6     P         single
 AGP        P      O1P       double
 AGP        P      O2P       single
 AGP        P      O3P       single
 AGP        O2P    HOP2      single
 AGP        O3P    HOP3      single