# 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 OXE OXE 'ORTHO-XYLENE ' non-polymer 18 8 M # data_comp_OXE # 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 OXE C1 C . 0.000 OXE C2 C . 0.000 OXE C3 C . 0.000 OXE C4 C . 0.000 OXE C5 C . 0.000 OXE C6 C . 0.000 OXE 'C1'' C . 0.000 OXE 'C2'' C . 0.000 OXE H3 H . 0.000 OXE H4 H . 0.000 OXE H5 H . 0.000 OXE H6 H . 0.000 OXE 'H1'1' H . 0.000 OXE 'H1'2' H . 0.000 OXE 'H1'3' H . 0.000 OXE 'H2'1' H . 0.000 OXE 'H2'2' H . 0.000 OXE 'H2'3' 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 OXE C1 C2 double OXE C1 C6 single OXE C1 'C1'' single OXE C2 C3 single OXE C2 'C2'' single OXE C3 C4 double OXE C3 H3 single OXE C4 C5 single OXE C4 H4 single OXE C5 C6 double OXE C5 H5 single OXE C6 H6 single OXE 'C1'' 'H1'1' single OXE 'C1'' 'H1'2' single OXE 'C1'' 'H1'3' single OXE 'C2'' 'H2'1' single OXE 'C2'' 'H2'2' single OXE 'C2'' 'H2'3' single