#
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
AKG      AKG '2-OXYGLUTARIC ACID                  ' non-polymer        16  10 M
#
data_comp_AKG
#
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
 AKG           C1     C    .         0.000
 AKG           O1     O    .         0.000
 AKG           O2     O    .         0.000
 AKG           C2     C    .         0.000
 AKG           O5     O    .         0.000
 AKG           C3     C    .         0.000
 AKG           C4     C    .         0.000
 AKG           C5     C    .         0.000
 AKG           O3     O    .         0.000
 AKG           O4     O    .         0.000
 AKG           HO2    H    .         0.000
 AKG           H31    H    .         0.000
 AKG           H32    H    .         0.000
 AKG           H41    H    .         0.000
 AKG           H42    H    .         0.000
 AKG           HO4    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
 AKG        C1     C2        single
 AKG        C1     O1        double
 AKG        C1     O2        single
 AKG        O2     HO2       single
 AKG        C2     C3        single
 AKG        C2     O5        double
 AKG        C3     C4        single
 AKG        C3     H31       single
 AKG        C3     H32       single
 AKG        C4     C5        single
 AKG        C4     H41       single
 AKG        C4     H42       single
 AKG        C5     O3        double
 AKG        C5     O4        single
 AKG        O4     HO4       single