#
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
AL5      AL5 'THIOPHENE-2,5-DISULFONIC ACID 2-AMID' non-polymer        35  21 M
#
data_comp_AL5
#
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
 AL5           C3     C    .         0.000
 AL5           C9     C    .         0.000
 AL5           C10    C    .         0.000
 AL5           C11    C    .         0.000
 AL5           C12    C    .         0.000
 AL5           C13    C    .         0.000
 AL5           C14    C    .         0.000
 AL5           C15    C    .         0.000
 AL5           C16    C    .         0.000
 AL5           O2A    O    .         0.000
 AL5           O1A    O    .         0.000
 AL5           N21    N    .         0.000
 AL5           S1     S    .         0.000
 AL5           C4     C    .         0.000
 AL5           C5     C    .         0.000
 AL5           C6     C    .         0.000
 AL5           S2     S    .         0.000
 AL5           S7     S    .         0.000
 AL5           O3B    O    .         0.000
 AL5           O4B    O    .         0.000
 AL5           N8     N    .         0.000
 AL5           H91    H    .         0.000
 AL5           H92    H    .         0.000
 AL5           H161   H    .         0.000
 AL5           H162   H    .         0.000
 AL5           H163   H    .         0.000
 AL5           HNL1   H    .         0.000
 AL5           HNL2   H    .         0.000
 AL5           H4     H    .         0.000
 AL5           H5     H    .         0.000
 AL5           HN8    H    .         0.000
 AL5           H11    H    .         0.000
 AL5           H12    H    .         0.000
 AL5           H14    H    .         0.000
 AL5           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
 AL5        C3     S1        single
 AL5        C3     C4        double
 AL5        C3     S2        single
 AL5        C9     C10       single
 AL5        C9     N8        single
 AL5        C9     H91       single
 AL5        C9     H92       single
 AL5        C10    C11       double
 AL5        C10    C15       single
 AL5        C11    C12       single
 AL5        C11    H11       single
 AL5        C12    C13       double
 AL5        C12    H12       single
 AL5        C13    C14       single
 AL5        C13    C16       single
 AL5        C14    C15       double
 AL5        C14    H14       single
 AL5        C15    H15       single
 AL5        C16    H161      single
 AL5        C16    H162      single
 AL5        C16    H163      single
 AL5        O2A    S1        double
 AL5        O1A    S1        double
 AL5        N21    S1        single
 AL5        N21    HNL1      single
 AL5        N21    HNL2      single
 AL5        C4     C5        single
 AL5        C4     H4        single
 AL5        C5     C6        double
 AL5        C5     H5        single
 AL5        C6     S2        single
 AL5        C6     S7        single
 AL5        S7     O3B       double
 AL5        S7     O4B       double
 AL5        S7     N8        single
 AL5        N8     HN8       single