#
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
ALP      ALP '2-(1-CARBOXY-2-HYDROXY-ETHYL)-5,5-DI' non-polymer        31  16 M
#
data_comp_ALP
#
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
 ALP           C1     C    .         0.000
 ALP           O1     O    .         0.000
 ALP           O2     O    .         0.000
 ALP           C2     C    .         0.000
 ALP           C21    C    .         0.000
 ALP           O22    O    .         0.000
 ALP           C3     C    .         0.000
 ALP           S4     S    .         0.000
 ALP           C5     C    .         0.000
 ALP           C51    C    .         0.000
 ALP           C52    C    .         0.000
 ALP           C6     C    .         0.000
 ALP           C8     C    .         0.000
 ALP           O81    O    .         0.000
 ALP           O82    O    .         0.000
 ALP           N7     N    .         0.000
 ALP           HO2    H    .         0.000
 ALP           H2     H    .         0.000
 ALP           H211   H    .         0.000
 ALP           H212   H    .         0.000
 ALP           H22    H    .         0.000
 ALP           H3     H    .         0.000
 ALP           H511   H    .         0.000
 ALP           H512   H    .         0.000
 ALP           H513   H    .         0.000
 ALP           H521   H    .         0.000
 ALP           H522   H    .         0.000
 ALP           H523   H    .         0.000
 ALP           H6     H    .         0.000
 ALP           HO8    H    .         0.000
 ALP           HN7    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
 ALP        C1     C2        single
 ALP        C1     O1        double
 ALP        C1     O2        single
 ALP        O2     HO2       single
 ALP        C2     C3        single
 ALP        C2     C21       single
 ALP        C2     H2        single
 ALP        C21    O22       single
 ALP        C21    H211      single
 ALP        C21    H212      single
 ALP        O22    H22       single
 ALP        C3     S4        single
 ALP        C3     N7        single
 ALP        C3     H3        single
 ALP        S4     C5        single
 ALP        C5     C6        single
 ALP        C5     C51       single
 ALP        C5     C52       single
 ALP        C51    H511      single
 ALP        C51    H512      single
 ALP        C51    H513      single
 ALP        C52    H521      single
 ALP        C52    H522      single
 ALP        C52    H523      single
 ALP        C6     N7        single
 ALP        C6     C8        single
 ALP        C6     H6        single
 ALP        C8     O81       double
 ALP        C8     O82       single
 ALP        O82    HO8       single
 ALP        N7     HN7       single