#
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
APG      APG 'ATROLACTIC ACID (2-PHENYL-LACTIC ACI' non-polymer        22  12 M
#
data_comp_APG
#
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
 APG           C1     C    .         0.000
 APG           C2     C    .         0.000
 APG           C3     C    .         0.000
 APG           C4     C    .         0.000
 APG           C5     C    .         0.000
 APG           C6     C    .         0.000
 APG           C12    C    .         0.000
 APG           O17    O    .         0.000
 APG           C13    C    .         0.000
 APG           C14    C    .         0.000
 APG           O14    O    .         0.000
 APG           O15    O    .         0.000
 APG           H1     H    .         0.000
 APG           H2     H    .         0.000
 APG           H4     H    .         0.000
 APG           H5     H    .         0.000
 APG           H6     H    .         0.000
 APG           HO17   H    .         0.000
 APG           H141   H    .         0.000
 APG           H142   H    .         0.000
 APG           H143   H    .         0.000
 APG           HO15   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
 APG        C1     C2        double
 APG        C1     C6        single
 APG        C1     H1        single
 APG        C2     C3        single
 APG        C2     H2        single
 APG        C3     C4        double
 APG        C3     C12       single
 APG        C4     C5        single
 APG        C4     H4        single
 APG        C5     C6        double
 APG        C5     H5        single
 APG        C6     H6        single
 APG        C12    C13       single
 APG        C12    C14       single
 APG        C12    O17       single
 APG        O17    HO17      single
 APG        C13    O14       double
 APG        C13    O15       single
 APG        C14    H141      single
 APG        C14    H142      single
 APG        C14    H143      single
 APG        O15    HO15      single