# 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 SB1 SB1 '(21S)-1AZA-4,4-DIMETHYL-6,19-DIOXA-2' non-polymer 70 31 M # data_comp_SB1 # 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 SB1 N1 N . 0.000 SB1 C2 C . 0.000 SB1 O2 O . 0.000 SB1 C3 C . 0.000 SB1 O3 O . 0.000 SB1 C4 C . 0.000 SB1 C5 C . 0.000 SB1 O6 O . 0.000 SB1 C7 C . 0.000 SB1 O7 O . 0.000 SB1 C8 C . 0.000 SB1 C9 C . 0.000 SB1 C10 C . 0.000 SB1 C11 C . 0.000 SB1 C12 C . 0.000 SB1 C13 C . 0.000 SB1 C14 C . 0.000 SB1 C15 C . 0.000 SB1 C16 C . 0.000 SB1 C17 C . 0.000 SB1 C18 C . 0.000 SB1 O19 O . 0.000 SB1 C20 C . 0.000 SB1 O20 O . 0.000 SB1 C21 C . 0.000 SB1 C22 C . 0.000 SB1 C23 C . 0.000 SB1 C24 C . 0.000 SB1 C25 C . 0.000 SB1 C26 C . 0.000 SB1 C27 C . 0.000 SB1 H51 H . 0.000 SB1 H52 H . 0.000 SB1 H81 H . 0.000 SB1 H82 H . 0.000 SB1 H91 H . 0.000 SB1 H92 H . 0.000 SB1 H101 H . 0.000 SB1 H102 H . 0.000 SB1 H111 H . 0.000 SB1 H112 H . 0.000 SB1 H121 H . 0.000 SB1 H122 H . 0.000 SB1 H131 H . 0.000 SB1 H132 H . 0.000 SB1 H141 H . 0.000 SB1 H142 H . 0.000 SB1 H151 H . 0.000 SB1 H152 H . 0.000 SB1 H161 H . 0.000 SB1 H162 H . 0.000 SB1 H171 H . 0.000 SB1 H172 H . 0.000 SB1 H181 H . 0.000 SB1 H182 H . 0.000 SB1 H21 H . 0.000 SB1 H221 H . 0.000 SB1 H222 H . 0.000 SB1 H231 H . 0.000 SB1 H232 H . 0.000 SB1 H241 H . 0.000 SB1 H242 H . 0.000 SB1 H251 H . 0.000 SB1 H252 H . 0.000 SB1 H261 H . 0.000 SB1 H262 H . 0.000 SB1 H263 H . 0.000 SB1 H271 H . 0.000 SB1 H272 H . 0.000 SB1 H273 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 SB1 N1 C2 single SB1 N1 C21 single SB1 N1 C25 single SB1 C2 C3 single SB1 C2 O2 double SB1 C3 C4 single SB1 C3 O3 double SB1 C4 C5 single SB1 C4 C26 single SB1 C4 C27 single SB1 C5 O6 single SB1 C5 H51 single SB1 C5 H52 single SB1 O6 C7 single SB1 C7 C8 single SB1 C7 O7 double SB1 C8 C9 single SB1 C8 H81 single SB1 C8 H82 single SB1 C9 C10 single SB1 C9 H91 single SB1 C9 H92 single SB1 C10 C11 single SB1 C10 H101 single SB1 C10 H102 single SB1 C11 C12 single SB1 C11 H111 single SB1 C11 H112 single SB1 C12 C13 single SB1 C12 H121 single SB1 C12 H122 single SB1 C13 C14 single SB1 C13 H131 single SB1 C13 H132 single SB1 C14 C15 single SB1 C14 H141 single SB1 C14 H142 single SB1 C15 C16 single SB1 C15 H151 single SB1 C15 H152 single SB1 C16 C17 single SB1 C16 H161 single SB1 C16 H162 single SB1 C17 C18 single SB1 C17 H171 single SB1 C17 H172 single SB1 C18 O19 single SB1 C18 H181 single SB1 C18 H182 single SB1 O19 C20 single SB1 C20 C21 single SB1 C20 O20 double SB1 C21 C22 single SB1 C21 H21 single SB1 C22 C23 single SB1 C22 H221 single SB1 C22 H222 single SB1 C23 C24 single SB1 C23 H231 single SB1 C23 H232 single SB1 C24 C25 single SB1 C24 H241 single SB1 C24 H242 single SB1 C25 H251 single SB1 C25 H252 single SB1 C26 H261 single SB1 C26 H262 single SB1 C26 H263 single SB1 C27 H271 single SB1 C27 H272 single SB1 C27 H273 single