# 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 BNG BNG 'B-NONYLGLUCOSIDE ' non-polymer 51 21 M # data_comp_BNG # 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 BNG C1 C . 0.000 BNG C2 C . 0.000 BNG C3 C . 0.000 BNG C4 C . 0.000 BNG C5 C . 0.000 BNG C6 C . 0.000 BNG 'C1'' C . 0.000 BNG 'C2'' C . 0.000 BNG 'C3'' C . 0.000 BNG 'C4'' C . 0.000 BNG 'C5'' C . 0.000 BNG 'C6'' C . 0.000 BNG 'C7'' C . 0.000 BNG 'C8'' C . 0.000 BNG 'C9'' C . 0.000 BNG O1 O . 0.000 BNG O2 O . 0.000 BNG O3 O . 0.000 BNG O4 O . 0.000 BNG O5 O . 0.000 BNG O6 O . 0.000 BNG H1 H . 0.000 BNG H2 H . 0.000 BNG H3 H . 0.000 BNG H4 H . 0.000 BNG H5 H . 0.000 BNG H61 H . 0.000 BNG H62 H . 0.000 BNG HO2 H . 0.000 BNG HO3 H . 0.000 BNG HO4 H . 0.000 BNG HO6 H . 0.000 BNG 'H1'1' H . 0.000 BNG 'H1'2' H . 0.000 BNG 'H2'1' H . 0.000 BNG 'H2'2' H . 0.000 BNG 'H3'1' H . 0.000 BNG 'H3'2' H . 0.000 BNG 'H4'1' H . 0.000 BNG 'H4'2' H . 0.000 BNG 'H5'1' H . 0.000 BNG 'H5'2' H . 0.000 BNG 'H6'1' H . 0.000 BNG 'H6'2' H . 0.000 BNG 'H7'1' H . 0.000 BNG 'H7'2' H . 0.000 BNG 'H8'1' H . 0.000 BNG 'H8'2' H . 0.000 BNG 'H9'1' H . 0.000 BNG 'H9'2' H . 0.000 BNG 'H9'3' 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 BNG C1 C2 single BNG C1 O5 single BNG C1 O1 single BNG C1 H1 single BNG C2 C3 single BNG C2 O2 single BNG C2 H2 single BNG C3 C4 single BNG C3 O3 single BNG C3 H3 single BNG C4 C5 single BNG C4 O4 single BNG C4 H4 single BNG C5 C6 single BNG C5 O5 single BNG C5 H5 single BNG C6 O6 single BNG C6 H61 single BNG C6 H62 single BNG 'C1'' O1 single BNG 'C1'' 'C2'' single BNG 'C1'' 'H1'1' single BNG 'C1'' 'H1'2' single BNG 'C2'' 'C3'' single BNG 'C2'' 'H2'1' single BNG 'C2'' 'H2'2' single BNG 'C3'' 'C4'' single BNG 'C3'' 'H3'1' single BNG 'C3'' 'H3'2' single BNG 'C4'' 'C5'' single BNG 'C4'' 'H4'1' single BNG 'C4'' 'H4'2' single BNG 'C5'' 'C6'' single BNG 'C5'' 'H5'1' single BNG 'C5'' 'H5'2' single BNG 'C6'' 'C7'' single BNG 'C6'' 'H6'1' single BNG 'C6'' 'H6'2' single BNG 'C7'' 'C8'' single BNG 'C7'' 'H7'1' single BNG 'C7'' 'H7'2' single BNG 'C8'' 'C9'' single BNG 'C8'' 'H8'1' single BNG 'C8'' 'H8'2' single BNG 'C9'' 'H9'1' single BNG 'C9'' 'H9'2' single BNG 'C9'' 'H9'3' single BNG O2 HO2 single BNG O3 HO3 single BNG O4 HO4 single BNG O6 HO6 single