#
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
AP3      AP3 '2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROP' non-polymer        37  18 M
#
data_comp_AP3
#
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
 AP3           C1     C    .         0.000
 AP3           O1     O    .         0.000
 AP3           OXT    O    .         0.000
 AP3           C2     C    .         0.000
 AP3           C21    C    .         0.000
 AP3           O22    O    .         0.000
 AP3           C3     C    .         0.000
 AP3           S4     S    .         0.000
 AP3           C5     C    .         0.000
 AP3           C51    C    .         0.000
 AP3           C52    C    .         0.000
 AP3           C6     C    .         0.000
 AP3           C8     C    .         0.000
 AP3           O81    O    .         0.000
 AP3           O82    O    .         0.000
 AP3           N7     N    .         0.000
 AP3           C9     C    .         0.000
 AP3           C10    C    .         0.000
 AP3           HXT    H    .         0.000
 AP3           H2     H    .         0.000
 AP3           HOM    H    .         0.000
 AP3           H3     H    .         0.000
 AP3           H511   H    .         0.000
 AP3           H512   H    .         0.000
 AP3           H513   H    .         0.000
 AP3           H521   H    .         0.000
 AP3           H522   H    .         0.000
 AP3           H523   H    .         0.000
 AP3           H6     H    .         0.000
 AP3           HO     H    .         0.000
 AP3           HN7    H    .         0.000
 AP3           H91    H    .         0.000
 AP3           H92    H    .         0.000
 AP3           H93    H    .         0.000
 AP3           H101   H    .         0.000
 AP3           H102   H    .         0.000
 AP3           H103   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
 AP3        C1     O1        double
 AP3        C1     C2        single
 AP3        C1     OXT       single
 AP3        OXT    HXT       single
 AP3        C2     C21       single
 AP3        C2     C3        single
 AP3        C2     H2        single
 AP3        C21    O22       single
 AP3        C21    C9        single
 AP3        C21    C10       single
 AP3        O22    HOM       single
 AP3        C3     S4        single
 AP3        C3     N7        single
 AP3        C3     H3        single
 AP3        S4     C5        single
 AP3        C5     C51       single
 AP3        C5     C52       single
 AP3        C5     C6        single
 AP3        C51    H511      single
 AP3        C51    H512      single
 AP3        C51    H513      single
 AP3        C52    H521      single
 AP3        C52    H522      single
 AP3        C52    H523      single
 AP3        C6     C8        single
 AP3        C6     N7        single
 AP3        C6     H6        single
 AP3        C8     O81       double
 AP3        C8     O82       single
 AP3        O82    HO        single
 AP3        N7     HN7       single
 AP3        C9     H91       single
 AP3        C9     H92       single
 AP3        C9     H93       single
 AP3        C10    H101      single
 AP3        C10    H102      single
 AP3        C10    H103      single