# 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 DIO DIO '1,4-DIETHYLENE DIOXIDE ' non-polymer 14 6 M # data_comp_DIO # 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 DIO C1 C . 0.000 DIO C2 C . 0.000 DIO 'C1'' C . 0.000 DIO 'C2'' C . 0.000 DIO O1 O . 0.000 DIO 'O1'' O . 0.000 DIO H11 H . 0.000 DIO H12 H . 0.000 DIO H21 H . 0.000 DIO H22 H . 0.000 DIO 'H2'1' H . 0.000 DIO 'H2'2' H . 0.000 DIO 'H1'1' H . 0.000 DIO 'H1'2' 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 DIO C1 O1 single DIO C1 'C1'' single DIO C1 H11 single DIO C1 H12 single DIO C2 O1 single DIO C2 'C2'' single DIO C2 H21 single DIO C2 H22 single DIO 'C1'' 'O1'' single DIO 'C1'' 'H1'1' single DIO 'C1'' 'H1'2' single DIO 'C2'' 'O1'' single DIO 'C2'' 'H2'1' single DIO 'C2'' 'H2'2' single