# 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 DOX DOX 'DIOXANE ' non-polymer 14 6 M # data_comp_DOX # 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 DOX C1 C . 0.000 DOX C2 C . 0.000 DOX O1 O . 0.000 DOX C3 C . 0.000 DOX C4 C . 0.000 DOX O2 O . 0.000 DOX H11 H . 0.000 DOX H12 H . 0.000 DOX H21 H . 0.000 DOX H22 H . 0.000 DOX H31 H . 0.000 DOX H32 H . 0.000 DOX H41 H . 0.000 DOX H42 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 DOX C1 C2 single DOX C1 O2 single DOX C1 H11 single DOX C1 H12 single DOX C2 O1 single DOX C2 H21 single DOX C2 H22 single DOX O1 C3 single DOX C3 C4 single DOX C3 H31 single DOX C3 H32 single DOX C4 O2 single DOX C4 H41 single DOX C4 H42 single