# 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 2PE 2PE 'NONAETHYLENE GLYCOL ' non-polymer 66 28 M # data_comp_2PE # 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 2PE O1 O . 0.000 2PE C2 C . 0.000 2PE C3 C . 0.000 2PE O4 O . 0.000 2PE C5 C . 0.000 2PE C6 C . 0.000 2PE O7 O . 0.000 2PE C8 C . 0.000 2PE C9 C . 0.000 2PE O10 O . 0.000 2PE C11 C . 0.000 2PE C12 C . 0.000 2PE O13 O . 0.000 2PE C14 C . 0.000 2PE C15 C . 0.000 2PE O16 O . 0.000 2PE C17 C . 0.000 2PE C18 C . 0.000 2PE O19 O . 0.000 2PE C20 C . 0.000 2PE C21 C . 0.000 2PE O22 O . 0.000 2PE C23 C . 0.000 2PE C24 C . 0.000 2PE O25 O . 0.000 2PE C26 C . 0.000 2PE C27 C . 0.000 2PE O28 O . 0.000 2PE HO1 H . 0.000 2PE H21 H . 0.000 2PE H22 H . 0.000 2PE H31 H . 0.000 2PE H32 H . 0.000 2PE H51 H . 0.000 2PE H52 H . 0.000 2PE H61 H . 0.000 2PE H62 H . 0.000 2PE H81 H . 0.000 2PE H82 H . 0.000 2PE H91 H . 0.000 2PE H92 H . 0.000 2PE H111 H . 0.000 2PE H112 H . 0.000 2PE H121 H . 0.000 2PE H122 H . 0.000 2PE H141 H . 0.000 2PE H142 H . 0.000 2PE H151 H . 0.000 2PE H152 H . 0.000 2PE H171 H . 0.000 2PE H172 H . 0.000 2PE H181 H . 0.000 2PE H182 H . 0.000 2PE H201 H . 0.000 2PE H202 H . 0.000 2PE H211 H . 0.000 2PE H212 H . 0.000 2PE H231 H . 0.000 2PE H232 H . 0.000 2PE H241 H . 0.000 2PE H242 H . 0.000 2PE H261 H . 0.000 2PE H262 H . 0.000 2PE H271 H . 0.000 2PE H272 H . 0.000 2PE HO2 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 2PE O1 C2 single 2PE O1 HO1 single 2PE C2 C3 single 2PE C2 H21 single 2PE C2 H22 single 2PE C3 O4 single 2PE C3 H31 single 2PE C3 H32 single 2PE O4 C5 single 2PE C5 C6 single 2PE C5 H51 single 2PE C5 H52 single 2PE C6 O7 single 2PE C6 H61 single 2PE C6 H62 single 2PE O7 C8 single 2PE C8 C9 single 2PE C8 H81 single 2PE C8 H82 single 2PE C9 O10 single 2PE C9 H91 single 2PE C9 H92 single 2PE O10 C11 single 2PE C11 C12 single 2PE C11 H111 single 2PE C11 H112 single 2PE C12 O13 single 2PE C12 H121 single 2PE C12 H122 single 2PE O13 C14 single 2PE C14 C15 single 2PE C14 H141 single 2PE C14 H142 single 2PE C15 O16 single 2PE C15 H151 single 2PE C15 H152 single 2PE O16 C17 single 2PE C17 C18 single 2PE C17 H171 single 2PE C17 H172 single 2PE C18 O19 single 2PE C18 H181 single 2PE C18 H182 single 2PE O19 C20 single 2PE C20 C21 single 2PE C20 H201 single 2PE C20 H202 single 2PE C21 O22 single 2PE C21 H211 single 2PE C21 H212 single 2PE O22 C23 single 2PE C23 C24 single 2PE C23 H231 single 2PE C23 H232 single 2PE C24 O25 single 2PE C24 H241 single 2PE C24 H242 single 2PE O25 C26 single 2PE C26 C27 single 2PE C26 H261 single 2PE C26 H262 single 2PE C27 O28 single 2PE C27 H271 single 2PE C27 H272 single 2PE O28 HO2 single