#
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
AL9      AL9 'N-[(4-METHOXYPHENYL)METHYL]2,5-THIOP' non-polymer        36  22 M
#
data_comp_AL9
#
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
 AL9           C3     C    .         0.000
 AL9           C9     C    .         0.000
 AL9           C10    C    .         0.000
 AL9           C11    C    .         0.000
 AL9           C12    C    .         0.000
 AL9           C13    C    .         0.000
 AL9           C14    C    .         0.000
 AL9           C15    C    .         0.000
 AL9           O2A    O    .         0.000
 AL9           O1A    O    .         0.000
 AL9           N21    N    .         0.000
 AL9           S1     S    .         0.000
 AL9           C4     C    .         0.000
 AL9           C5     C    .         0.000
 AL9           C6     C    .         0.000
 AL9           S2     S    .         0.000
 AL9           S7     S    .         0.000
 AL9           O3B    O    .         0.000
 AL9           O4B    O    .         0.000
 AL9           N8     N    .         0.000
 AL9           O16    O    .         0.000
 AL9           C17    C    .         0.000
 AL9           H91    H    .         0.000
 AL9           H92    H    .         0.000
 AL9           HNL1   H    .         0.000
 AL9           HNL2   H    .         0.000
 AL9           H4     H    .         0.000
 AL9           H5     H    .         0.000
 AL9           HN8    H    .         0.000
 AL9           H171   H    .         0.000
 AL9           H172   H    .         0.000
 AL9           H173   H    .         0.000
 AL9           H11    H    .         0.000
 AL9           H12    H    .         0.000
 AL9           H14    H    .         0.000
 AL9           H15    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
 AL9        C3     S1        single
 AL9        C3     C4        double
 AL9        C3     S2        single
 AL9        C9     C10       single
 AL9        C9     N8        single
 AL9        C9     H91       single
 AL9        C9     H92       single
 AL9        C10    C11       double
 AL9        C10    C15       single
 AL9        C11    C12       single
 AL9        C11    H11       single
 AL9        C12    C13       double
 AL9        C12    H12       single
 AL9        C13    C14       single
 AL9        C13    O16       single
 AL9        C14    C15       double
 AL9        C14    H14       single
 AL9        C15    H15       single
 AL9        O2A    S1        double
 AL9        O1A    S1        double
 AL9        N21    S1        single
 AL9        N21    HNL1      single
 AL9        N21    HNL2      single
 AL9        C4     C5        single
 AL9        C4     H4        single
 AL9        C5     C6        double
 AL9        C5     H5        single
 AL9        C6     S2        single
 AL9        C6     S7        single
 AL9        S7     O3B       double
 AL9        S7     O4B       double
 AL9        S7     N8        single
 AL9        N8     HN8       single
 AL9        O16    C17       single
 AL9        C17    H171      single
 AL9        C17    H172      single
 AL9        C17    H173      single