#
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
AL2      AL2 '3,4-DIHYDRO-4-HYDROXY-2-(4-METHOXYPH' non-polymer        38  24 M
#
data_comp_AL2
#
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
 AL2           C3     C    .         0.000
 AL2           O5     O    .         0.000
 AL2           C9     C    .         0.000
 AL2           C10    C    .         0.000
 AL2           C11    C    .         0.000
 AL2           C12    C    .         0.000
 AL2           C13    C    .         0.000
 AL2           C14    C    .         0.000
 AL2           C15    C    .         0.000
 AL2           C16    C    .         0.000
 AL2           O1A    O    .         0.000
 AL2           O2A    O    .         0.000
 AL2           N21    N    .         0.000
 AL2           S1     S    .         0.000
 AL2           C4     C    .         0.000
 AL2           C5     C    .         0.000
 AL2           C6     C    .         0.000
 AL2           S2     S    .         0.000
 AL2           S7     S    .         0.000
 AL2           O3B    O    .         0.000
 AL2           O4B    O    .         0.000
 AL2           N8     N    .         0.000
 AL2           O6     O    .         0.000
 AL2           C17    C    .         0.000
 AL2           HO5    H    .         0.000
 AL2           H91    H    .         0.000
 AL2           H92    H    .         0.000
 AL2           H10    H    .         0.000
 AL2           HNL1   H    .         0.000
 AL2           HNL2   H    .         0.000
 AL2           H4     H    .         0.000
 AL2           H171   H    .         0.000
 AL2           H172   H    .         0.000
 AL2           H173   H    .         0.000
 AL2           H12    H    .         0.000
 AL2           H13    H    .         0.000
 AL2           H15    H    .         0.000
 AL2           H16    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
 AL2        C3     S1        single
 AL2        C3     C4        double
 AL2        C3     S2        single
 AL2        O5     C10       single
 AL2        O5     HO5       single
 AL2        C9     C10       single
 AL2        C9     N8        single
 AL2        C9     H91       single
 AL2        C9     H92       single
 AL2        C10    C5        single
 AL2        C10    H10       single
 AL2        C11    C12       double
 AL2        C11    C16       single
 AL2        C11    N8        single
 AL2        C12    C13       single
 AL2        C12    H12       single
 AL2        C13    C14       double
 AL2        C13    H13       single
 AL2        C14    C15       single
 AL2        C14    O6        single
 AL2        C15    C16       double
 AL2        C15    H15       single
 AL2        C16    H16       single
 AL2        O1A    S1        double
 AL2        O2A    S1        double
 AL2        N21    S1        single
 AL2        N21    HNL1      single
 AL2        N21    HNL2      single
 AL2        C4     C5        single
 AL2        C4     H4        single
 AL2        C5     C6        double
 AL2        C6     S2        single
 AL2        C6     S7        single
 AL2        S7     O3B       double
 AL2        S7     O4B       double
 AL2        S7     N8        single
 AL2        O6     C17       single
 AL2        C17    H171      single
 AL2        C17    H172      single
 AL2        C17    H173      single