#
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
AMS      AMS '3-MERCURI-4-AMINOBENZENESULFONAMIDE ' non-polymer        19  12 M
#
data_comp_AMS
#
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
 AMS           C1     C    .         0.000
 AMS           C2     C    .         0.000
 AMS           C3     C    .         0.000
 AMS           C4     C    .         0.000
 AMS           C5     C    .         0.000
 AMS           C6     C    .         0.000
 AMS           HG     HG   .         0.000
 AMS           S1     S    .         0.000
 AMS           O1     O    .         0.000
 AMS           O2     O    .         0.000
 AMS           N1     N    .         0.000
 AMS           N2     N    .         0.000
 AMS           H2     H    .         0.000
 AMS           H5     H    .         0.000
 AMS           H6     H    .         0.000
 AMS           HN11   H    .         0.000
 AMS           HN12   H    .         0.000
 AMS           HN21   H    .         0.000
 AMS           HN22   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
 AMS        C1     C2        double
 AMS        C1     C6        single
 AMS        C1     S1        single
 AMS        C2     C3        single
 AMS        C2     H2        single
 AMS        C3     C4        double
 AMS        C3     HG        single
 AMS        C4     C5        single
 AMS        C4     N2        single
 AMS        C5     C6        double
 AMS        C5     H5        single
 AMS        C6     H6        single
 AMS        S1     O1        double
 AMS        S1     O2        double
 AMS        S1     N1        single
 AMS        N1     HN11      single
 AMS        N1     HN12      single
 AMS        N2     HN21      single
 AMS        N2     HN22      single