# 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 S27 S27 'N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-' non-polymer 53 26 M # data_comp_S27 # 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 S27 C1 C . 0.000 S27 C2 C . 0.000 S27 C3 C . 0.000 S27 C4 C . 0.000 S27 C5 C . 0.000 S27 C6 C . 0.000 S27 P7 P . 0.000 S27 O8 O . 0.000 S27 C9 C . 0.000 S27 N10 N . 0.000 S27 C11 C . 0.000 S27 C12 C . 0.000 S27 C13 C . 0.000 S27 C14 C . 0.000 S27 C15 C . 0.000 S27 C16 C . 0.000 S27 C17 C . 0.000 S27 C18 C . 0.000 S27 C C . 0.000 S27 NA N . 0.000 S27 OA O . 0.000 S27 OB O . 0.000 S27 C7 C . 0.000 S27 C8 C . 0.000 S27 C10 C . 0.000 S27 C23 C . 0.000 S27 H2 H . 0.000 S27 H3 H . 0.000 S27 H4 H . 0.000 S27 H5 H . 0.000 S27 H6 H . 0.000 S27 H91 H . 0.000 S27 H92 H . 0.000 S27 H93 H . 0.000 S27 H111 H . 0.000 S27 H112 H . 0.000 S27 H13 H . 0.000 S27 H14 H . 0.000 S27 H15 H . 0.000 S27 H16 H . 0.000 S27 H17 H . 0.000 S27 H18 H . 0.000 S27 HNA H . 0.000 S27 HOA H . 0.000 S27 H71 H . 0.000 S27 H72 H . 0.000 S27 H8 H . 0.000 S27 H101 H . 0.000 S27 H102 H . 0.000 S27 H103 H . 0.000 S27 H231 H . 0.000 S27 H232 H . 0.000 S27 H233 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 S27 C1 C2 double S27 C1 C6 single S27 C1 P7 single S27 C2 C3 single S27 C2 H2 single S27 C3 C4 double S27 C3 H3 single S27 C4 C5 single S27 C4 H4 single S27 C5 C6 double S27 C5 H5 single S27 C6 H6 single S27 P7 O8 double S27 P7 C9 single S27 P7 N10 single S27 C9 H91 single S27 C9 H92 single S27 C9 H93 single S27 N10 C11 single S27 N10 C18 single S27 C11 C12 single S27 C11 H111 single S27 C11 H112 single S27 C12 C13 double S27 C12 C17 single S27 C13 C14 single S27 C13 H13 single S27 C14 C15 double S27 C14 H14 single S27 C15 C16 single S27 C15 H15 single S27 C16 C17 double S27 C16 H16 single S27 C17 H17 single S27 C18 C single S27 C18 C7 single S27 C18 H18 single S27 C NA single S27 C OB double S27 NA OA single S27 NA HNA single S27 OA HOA single S27 C7 C8 single S27 C7 H71 single S27 C7 H72 single S27 C8 C10 single S27 C8 C23 single S27 C8 H8 single S27 C10 H101 single S27 C10 H102 single S27 C10 H103 single S27 C23 H231 single S27 C23 H232 single S27 C23 H233 single