# 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 E64 E64 'N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL' non-polymer 55 25 M # data_comp_E64 # 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 E64 C1 C . 0.000 E64 O1 O . 0.000 E64 O2 O . 0.000 E64 C2 C . 0.000 E64 C3 C . 0.000 E64 O3 O . 0.000 E64 C4 C . 0.000 E64 O4 O . 0.000 E64 N1 N . 0.000 E64 C6 C . 0.000 E64 C7 C . 0.000 E64 C8 C . 0.000 E64 C9 C . 0.000 E64 C10 C . 0.000 E64 C11 C . 0.000 E64 O5 O . 0.000 E64 N2 N . 0.000 E64 C12 C . 0.000 E64 C13 C . 0.000 E64 C14 C . 0.000 E64 C15 C . 0.000 E64 N3 N . 0.000 E64 C16 C . 0.000 E64 N4 N . 0.000 E64 N5 N . 1.000 E64 HO2 H . 0.000 E64 H21 H . 0.000 E64 H22 H . 0.000 E64 H3 H . 0.000 E64 HO3 H . 0.000 E64 HN1 H . 0.000 E64 HN2 H . 0.000 E64 H6 H . 0.000 E64 H71 H . 0.000 E64 H72 H . 0.000 E64 H8 H . 0.000 E64 H91 H . 0.000 E64 H92 H . 0.000 E64 H93 H . 0.000 E64 H101 H . 0.000 E64 H102 H . 0.000 E64 H103 H . 0.000 E64 H121 H . 0.000 E64 H122 H . 0.000 E64 H131 H . 0.000 E64 H132 H . 0.000 E64 H141 H . 0.000 E64 H142 H . 0.000 E64 H151 H . 0.000 E64 H152 H . 0.000 E64 HN3 H . 0.000 E64 HN41 H . 0.000 E64 HN42 H . 0.000 E64 HN51 H . 0.000 E64 HN52 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 E64 C1 C2 single E64 C1 O1 double E64 C1 O2 single E64 O2 HO2 single E64 C2 C3 single E64 C2 H21 single E64 C2 H22 single E64 C3 C4 single E64 C3 O3 single E64 C3 H3 single E64 O3 HO3 single E64 C4 N1 single E64 C4 O4 double E64 N1 C6 single E64 N1 HN1 single E64 C6 C7 single E64 C6 C11 single E64 C6 H6 single E64 C7 C8 single E64 C7 H71 single E64 C7 H72 single E64 C8 C9 single E64 C8 C10 single E64 C8 H8 single E64 C9 H91 single E64 C9 H92 single E64 C9 H93 single E64 C10 H101 single E64 C10 H102 single E64 C10 H103 single E64 C11 N2 single E64 C11 O5 double E64 N2 C12 single E64 N2 HN2 single E64 C12 C13 single E64 C12 H121 single E64 C12 H122 single E64 C13 C14 single E64 C13 H131 single E64 C13 H132 single E64 C14 C15 single E64 C14 H141 single E64 C14 H142 single E64 C15 N3 single E64 C15 H151 single E64 C15 H152 single E64 N3 C16 single E64 N3 HN3 single E64 C16 N4 single E64 C16 N5 double E64 N4 HN41 single E64 N4 HN42 single E64 N5 HN51 single E64 N5 HN52 single