# 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 STG STG 'ESTRIOL 3-(B-D-GLUCURONIDE) ' non-polymer 65 33 M # data_comp_STG # 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 STG C1 C . 0.000 STG C2 C . 0.000 STG C3 C . 0.000 STG C4 C . 0.000 STG C5 C . 0.000 STG C6 C . 0.000 STG C7 C . 0.000 STG C8 C . 0.000 STG C9 C . 0.000 STG C10 C . 0.000 STG C11 C . 0.000 STG C12 C . 0.000 STG C13 C . 0.000 STG C14 C . 0.000 STG C15 C . 0.000 STG C16 C . 0.000 STG C17 C . 0.000 STG C18 C . 0.000 STG O19 O . 0.000 STG O20 O . 0.000 STG C21 C . 0.000 STG C22 C . 0.000 STG C23 C . 0.000 STG C24 C . 0.000 STG C25 C . 0.000 STG C26 C . 0.000 STG O27 O . 0.000 STG O28 O . 0.000 STG O29 O . 0.000 STG O30 O . 0.000 STG O31 O . 0.000 STG O32 O . 0.000 STG O33 O . 0.000 STG H1 H . 0.000 STG H2 H . 0.000 STG H4 H . 0.000 STG H61 H . 0.000 STG H62 H . 0.000 STG H71 H . 0.000 STG H72 H . 0.000 STG H8 H . 0.000 STG H9 H . 0.000 STG H111 H . 0.000 STG H112 H . 0.000 STG H121 H . 0.000 STG H122 H . 0.000 STG H14 H . 0.000 STG H151 H . 0.000 STG H152 H . 0.000 STG H16 H . 0.000 STG H17 H . 0.000 STG H181 H . 0.000 STG H182 H . 0.000 STG H183 H . 0.000 STG HO1 H . 0.000 STG H21 H . 0.000 STG H22 H . 0.000 STG H23 H . 0.000 STG H24 H . 0.000 STG H25 H . 0.000 STG HO8 H . 0.000 STG HO9 H . 0.000 STG HO3 H . 0.000 STG HO2 H . 0.000 STG HO0 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 STG C1 C2 double STG C1 C10 single STG C1 H1 single STG C2 C3 single STG C2 H2 single STG C3 C4 double STG C3 O20 single STG C4 C5 single STG C4 H4 single STG C5 C6 single STG C5 C10 double STG C6 C7 single STG C6 H61 single STG C6 H62 single STG C7 C8 single STG C7 H71 single STG C7 H72 single STG C8 C9 single STG C8 C14 single STG C8 H8 single STG C9 C10 single STG C9 C11 single STG C9 H9 single STG C11 C12 single STG C11 H111 single STG C11 H112 single STG C12 C13 single STG C12 H121 single STG C12 H122 single STG C13 C14 single STG C13 C17 single STG C13 C18 single STG C14 C15 single STG C14 H14 single STG C15 C16 single STG C15 H151 single STG C15 H152 single STG C16 C17 single STG C16 O33 single STG C16 H16 single STG C17 O19 single STG C17 H17 single STG C18 H181 single STG C18 H182 single STG C18 H183 single STG O19 HO1 single STG O20 C21 single STG C21 C22 single STG C21 O27 single STG C21 H21 single STG C22 C23 single STG C22 O28 single STG C22 H22 single STG C23 C24 single STG C23 O29 single STG C23 H23 single STG C24 C25 single STG C24 O30 single STG C24 H24 single STG C25 C26 single STG C25 O27 single STG C25 H25 single STG C26 O31 double STG C26 O32 single STG O28 HO8 single STG O29 HO9 single STG O30 HO3 single STG O32 HO2 single STG O33 HO0 single