# 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 MNS MNS '5-(DIMETHYLAMINO)-1-NAPHTHALENESULFO' non-polymer 31 17 M # data_comp_MNS # 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 MNS C1 C . 0.000 MNS C2 C . 0.000 MNS C3 C . 0.000 MNS C4 C . 0.000 MNS C4A C . 0.000 MNS C5 C . 0.000 MNS C6 C . 0.000 MNS C7 C . 0.000 MNS C8 C . 0.000 MNS C8A C . 0.000 MNS N N . 0.000 MNS CM1 C . 0.000 MNS CM2 C . 0.000 MNS S S . 0.000 MNS O1S O . 0.000 MNS O2S O . 0.000 MNS N3S N . 0.000 MNS H2 H . 0.000 MNS H3 H . 0.000 MNS H4 H . 0.000 MNS H6 H . 0.000 MNS H7 H . 0.000 MNS H8 H . 0.000 MNS HM11 H . 0.000 MNS HM12 H . 0.000 MNS HM13 H . 0.000 MNS HM21 H . 0.000 MNS HM22 H . 0.000 MNS HM23 H . 0.000 MNS HN31 H . 0.000 MNS HN32 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 MNS C1 C2 double MNS C1 C8A single MNS C1 S single MNS C2 C3 single MNS C2 H2 single MNS C3 C4 double MNS C3 H3 single MNS C4 C4A single MNS C4 H4 single MNS C4A C5 double MNS C4A C8A single MNS C5 C6 single MNS C5 N single MNS C6 C7 double MNS C6 H6 single MNS C7 C8 single MNS C7 H7 single MNS C8 C8A double MNS C8 H8 single MNS N CM1 single MNS N CM2 single MNS CM1 HM11 single MNS CM1 HM12 single MNS CM1 HM13 single MNS CM2 HM21 single MNS CM2 HM22 single MNS CM2 HM23 single MNS S O1S double MNS S O2S double MNS S N3S single MNS N3S HN31 single MNS N3S HN32 single