# 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 HEZ HEZ 'HEXANE-1,6-DIOL ' non-polymer 22 8 M # data_comp_HEZ # 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 HEZ O1 O . 0.000 HEZ C1 C . 0.000 HEZ C2 C . 0.000 HEZ C3 C . 0.000 HEZ C4 C . 0.000 HEZ C5 C . 0.000 HEZ C6 C . 0.000 HEZ O6 O . 0.000 HEZ HO1 H . 0.000 HEZ H11 H . 0.000 HEZ H12 H . 0.000 HEZ H21 H . 0.000 HEZ H22 H . 0.000 HEZ H31 H . 0.000 HEZ H32 H . 0.000 HEZ H41 H . 0.000 HEZ H42 H . 0.000 HEZ H51 H . 0.000 HEZ H52 H . 0.000 HEZ H61 H . 0.000 HEZ H62 H . 0.000 HEZ HO6 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 HEZ O1 C1 single HEZ O1 HO1 single HEZ C1 C2 single HEZ C1 H11 single HEZ C1 H12 single HEZ C2 C3 single HEZ C2 H21 single HEZ C2 H22 single HEZ C3 C4 single HEZ C3 H31 single HEZ C3 H32 single HEZ C4 C5 single HEZ C4 H41 single HEZ C4 H42 single HEZ C5 C6 single HEZ C5 H51 single HEZ C5 H52 single HEZ C6 O6 single HEZ C6 H61 single HEZ C6 H62 single HEZ O6 HO6 single