# 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 E3G E3G 'ESTRONE BETA-D-GLUCURONIDE ' non-polymer 62 32 M # data_comp_E3G # 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 E3G 'C1'' C . 0.000 E3G 'C2'' C . 0.000 E3G 'C3'' C . 0.000 E3G 'C4'' C . 0.000 E3G 'C5'' C . 0.000 E3G 'C6'' C . 0.000 E3G C1 C . 0.000 E3G C2 C . 0.000 E3G C3 C . 0.000 E3G C4 C . 0.000 E3G C5 C . 0.000 E3G C6 C . 0.000 E3G C7 C . 0.000 E3G C8 C . 0.000 E3G C9 C . 0.000 E3G C10 C . 0.000 E3G C11 C . 0.000 E3G C12 C . 0.000 E3G C13 C . 0.000 E3G C14 C . 0.000 E3G C15 C . 0.000 E3G C16 C . 0.000 E3G C17 C . 0.000 E3G C18 C . 0.000 E3G 'O8'' O . 0.000 E3G 'O9'' O . 0.000 E3G O10 O . 0.000 E3G O11 O . 0.000 E3G O12 O . 0.000 E3G 'O7'' O . 0.000 E3G O20 O . 0.000 E3G O19 O . 0.000 E3G 'H1'' H . 0.000 E3G 'H2'' H . 0.000 E3G 'H3'' H . 0.000 E3G 'H4'' H . 0.000 E3G 'H5'' H . 0.000 E3G H1 H . 0.000 E3G H2 H . 0.000 E3G H4 H . 0.000 E3G H61 H . 0.000 E3G H62 H . 0.000 E3G H71 H . 0.000 E3G H72 H . 0.000 E3G H8 H . 0.000 E3G H9 H . 0.000 E3G H111 H . 0.000 E3G H112 H . 0.000 E3G H121 H . 0.000 E3G H122 H . 0.000 E3G H14 H . 0.000 E3G H151 H . 0.000 E3G H152 H . 0.000 E3G H161 H . 0.000 E3G H162 H . 0.000 E3G H181 H . 0.000 E3G H182 H . 0.000 E3G H183 H . 0.000 E3G HO8 H . 0.000 E3G HO9 H . 0.000 E3G HO1 H . 0.000 E3G HO2 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 E3G 'C1'' 'C2'' single E3G 'C1'' 'O7'' single E3G 'C1'' O20 single E3G 'C1'' 'H1'' single E3G 'C2'' 'C3'' single E3G 'C2'' 'O8'' single E3G 'C2'' 'H2'' single E3G 'C3'' 'C4'' single E3G 'C3'' 'O9'' single E3G 'C3'' 'H3'' single E3G 'C4'' 'C5'' single E3G 'C4'' O10 single E3G 'C4'' 'H4'' single E3G 'C5'' 'C6'' single E3G 'C5'' 'O7'' single E3G 'C5'' 'H5'' single E3G 'C6'' O11 double E3G 'C6'' O12 single E3G C1 C2 double E3G C1 C10 single E3G C1 H1 single E3G C2 C3 single E3G C2 H2 single E3G C3 C4 double E3G C3 O20 single E3G C4 C5 single E3G C4 H4 single E3G C5 C6 single E3G C5 C10 double E3G C6 C7 single E3G C6 H61 single E3G C6 H62 single E3G C7 C8 single E3G C7 H71 single E3G C7 H72 single E3G C8 C9 single E3G C8 C14 single E3G C8 H8 single E3G C9 C10 single E3G C9 C11 single E3G C9 H9 single E3G C11 C12 single E3G C11 H111 single E3G C11 H112 single E3G C12 C13 single E3G C12 H121 single E3G C12 H122 single E3G C13 C14 single E3G C13 C17 single E3G C13 C18 single E3G C14 C15 single E3G C14 H14 single E3G C15 C16 single E3G C15 H151 single E3G C15 H152 single E3G C16 C17 single E3G C16 H161 single E3G C16 H162 single E3G C17 O19 double E3G C18 H181 single E3G C18 H182 single E3G C18 H183 single E3G 'O8'' HO8 single E3G 'O9'' HO9 single E3G O10 HO1 single E3G O12 HO2 single