# 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 AUR AUR 'AUROVERTIN B ' non-polymer 65 33 M # data_comp_AUR # 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 AUR C1 C . 0.000 AUR C2 C . 0.000 AUR C3 C . 0.000 AUR C4 C . 0.000 AUR C5 C . 0.000 AUR C6 C . 0.000 AUR C7 C . 0.000 AUR C8 C . 0.000 AUR C20 C . 0.000 AUR C21 C . 0.000 AUR C24 C . 0.000 AUR C25 C . 0.000 AUR O3 O . 0.000 AUR O4 O . 0.000 AUR O5 O . 0.000 AUR O7 O . 0.000 AUR O25 O . 0.000 AUR C9 C . 0.000 AUR C10 C . 0.000 AUR C11 C . 0.000 AUR C12 C . 0.000 AUR C13 C . 0.000 AUR C14 C . 0.000 AUR C15 C . 0.000 AUR C16 C . 0.000 AUR C17 C . 0.000 AUR C18 C . 0.000 AUR C19 C . 0.000 AUR C22 C . 0.000 AUR C23 C . 0.000 AUR O15 O . 0.000 AUR O17 O . 0.000 AUR O19 O . 0.000 AUR H11 H . 0.000 AUR H12 H . 0.000 AUR H13 H . 0.000 AUR H21 H . 0.000 AUR H22 H . 0.000 AUR H3 H . 0.000 AUR H5 H . 0.000 AUR H7 H . 0.000 AUR H8 H . 0.000 AUR H201 H . 0.000 AUR H202 H . 0.000 AUR H203 H . 0.000 AUR H211 H . 0.000 AUR H212 H . 0.000 AUR H213 H . 0.000 AUR H241 H . 0.000 AUR H242 H . 0.000 AUR H243 H . 0.000 AUR HO7 H . 0.000 AUR H9 H . 0.000 AUR H10 H . 0.000 AUR H_11 H . 0.000 AUR H_12 H . 0.000 AUR H_13 H . 0.000 AUR H14 H . 0.000 AUR H18 H . 0.000 AUR H221 H . 0.000 AUR H222 H . 0.000 AUR H223 H . 0.000 AUR H231 H . 0.000 AUR H232 H . 0.000 AUR H233 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 AUR C1 C2 single AUR C1 H11 single AUR C1 H12 single AUR C1 H13 single AUR C2 C3 single AUR C2 H21 single AUR C2 H22 single AUR C3 C4 single AUR C3 O3 single AUR C3 H3 single AUR C4 C5 single AUR C4 C20 single AUR C4 O4 single AUR C5 C6 single AUR C5 O5 single AUR C5 H5 single AUR C6 C7 single AUR C6 C21 single AUR C6 O3 single AUR C7 C8 single AUR C7 O7 single AUR C7 H7 single AUR C8 C9 single AUR C8 O4 single AUR C8 H8 single AUR C20 H201 single AUR C20 H202 single AUR C20 H203 single AUR C21 H211 single AUR C21 H212 single AUR C21 H213 single AUR C24 C25 single AUR C24 H241 single AUR C24 H242 single AUR C24 H243 single AUR C25 O5 single AUR C25 O25 double AUR O7 HO7 single AUR C9 C10 double AUR C9 H9 single AUR C10 C11 single AUR C10 H10 single AUR C11 C12 double AUR C11 H_11 single AUR C12 C13 single AUR C12 H_12 single AUR C13 C14 double AUR C13 H_13 single AUR C14 C15 single AUR C14 H14 single AUR C15 C16 double AUR C15 O15 single AUR C16 C17 single AUR C16 C22 single AUR C17 C18 double AUR C17 O17 single AUR C18 C19 single AUR C18 H18 single AUR C19 O15 single AUR C19 O19 double AUR C22 H221 single AUR C22 H222 single AUR C22 H223 single AUR C23 O17 single AUR C23 H231 single AUR C23 H232 single AUR C23 H233 single