# 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 BOG BOG 'B-OCTYLGLUCOSIDE ' non-polymer 48 20 M # data_comp_BOG # 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 BOG C1 C . 0.000 BOG O1 O . 0.000 BOG C2 C . 0.000 BOG O2 O . 0.000 BOG C3 C . 0.000 BOG O3 O . 0.000 BOG C4 C . 0.000 BOG O4 O . 0.000 BOG C5 C . 0.000 BOG O5 O . 0.000 BOG C6 C . 0.000 BOG O6 O . 0.000 BOG 'C1'' C . 0.000 BOG 'C2'' C . 0.000 BOG 'C3'' C . 0.000 BOG 'C4'' C . 0.000 BOG 'C5'' C . 0.000 BOG 'C6'' C . 0.000 BOG 'C7'' C . 0.000 BOG 'C8'' C . 0.000 BOG H1 H . 0.000 BOG H2 H . 0.000 BOG HO2 H . 0.000 BOG H3 H . 0.000 BOG HO3 H . 0.000 BOG H4 H . 0.000 BOG HO4 H . 0.000 BOG H5 H . 0.000 BOG H61 H . 0.000 BOG H62 H . 0.000 BOG HO6 H . 0.000 BOG 'H1'1' H . 0.000 BOG 'H1'2' H . 0.000 BOG 'H2'1' H . 0.000 BOG 'H2'2' H . 0.000 BOG 'H3'1' H . 0.000 BOG 'H3'2' H . 0.000 BOG 'H4'1' H . 0.000 BOG 'H4'2' H . 0.000 BOG 'H5'1' H . 0.000 BOG 'H5'2' H . 0.000 BOG 'H6'1' H . 0.000 BOG 'H6'2' H . 0.000 BOG 'H7'1' H . 0.000 BOG 'H7'2' H . 0.000 BOG 'H8'1' H . 0.000 BOG 'H8'2' H . 0.000 BOG 'H8'3' 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 BOG C1 C2 single BOG C1 O5 single BOG C1 O1 single BOG C1 H1 single BOG O1 'C1'' single BOG C2 C3 single BOG C2 O2 single BOG C2 H2 single BOG O2 HO2 single BOG C3 C4 single BOG C3 O3 single BOG C3 H3 single BOG O3 HO3 single BOG C4 C5 single BOG C4 O4 single BOG C4 H4 single BOG O4 HO4 single BOG C5 C6 single BOG C5 O5 single BOG C5 H5 single BOG C6 O6 single BOG C6 H61 single BOG C6 H62 single BOG O6 HO6 single BOG 'C1'' 'C2'' single BOG 'C1'' 'H1'1' single BOG 'C1'' 'H1'2' single BOG 'C2'' 'C3'' single BOG 'C2'' 'H2'1' single BOG 'C2'' 'H2'2' single BOG 'C3'' 'C4'' single BOG 'C3'' 'H3'1' single BOG 'C3'' 'H3'2' single BOG 'C4'' 'C5'' single BOG 'C4'' 'H4'1' single BOG 'C4'' 'H4'2' single BOG 'C5'' 'C6'' single BOG 'C5'' 'H5'1' single BOG 'C5'' 'H5'2' single BOG 'C6'' 'C7'' single BOG 'C6'' 'H6'1' single BOG 'C6'' 'H6'2' single BOG 'C7'' 'C8'' single BOG 'C7'' 'H7'1' single BOG 'C7'' 'H7'2' single BOG 'C8'' 'H8'1' single BOG 'C8'' 'H8'2' single BOG 'C8'' 'H8'3' single