# 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 NAS NAS '2-NAPHTHALENESULFONIC ACID ' non-polymer 22 14 M # data_comp_NAS # 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 NAS S S . 0.000 NAS O1S O . 0.000 NAS O2S O . 0.000 NAS O3S O . 0.000 NAS C1 C . 0.000 NAS C2 C . 0.000 NAS C3 C . 0.000 NAS C4 C . 0.000 NAS C5 C . 0.000 NAS C6 C . 0.000 NAS C7 C . 0.000 NAS C8 C . 0.000 NAS C9 C . 0.000 NAS C10 C . 0.000 NAS HOS3 H . 0.000 NAS H1 H . 0.000 NAS H3 H . 0.000 NAS H4 H . 0.000 NAS H5 H . 0.000 NAS H6 H . 0.000 NAS H7 H . 0.000 NAS H8 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 NAS S C2 single NAS S O1S double NAS S O2S double NAS S O3S single NAS O3S HOS3 single NAS C1 C2 double NAS C1 C9 single NAS C1 H1 single NAS C2 C3 single NAS C3 C4 double NAS C3 H3 single NAS C4 C10 single NAS C4 H4 single NAS C5 C6 double NAS C5 C10 single NAS C5 H5 single NAS C6 C7 single NAS C6 H6 single NAS C7 C8 double NAS C7 H7 single NAS C8 C9 single NAS C8 H8 single NAS C9 C10 double