# 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 SRS SRS '4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO' non-polymer 72 33 M # data_comp_SRS # 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 SRS S1 S . 0.000 SRS N5 N . 0.000 SRS N6 N . 0.000 SRS C2 C . 0.000 SRS C3 C . 0.000 SRS C4 C . 0.000 SRS O3 O . 0.000 SRS N2 N . 0.000 SRS C5 C . 0.000 SRS C6 C . 0.000 SRS O4 O . 0.000 SRS N3 N . 0.000 SRS C7 C . 0.000 SRS C8 C . 0.000 SRS C9 C . 0.000 SRS C10 C . 0.000 SRS C11 C . 0.000 SRS C12 C . 0.000 SRS N4 N . 0.000 SRS C13 C . 0.000 SRS C14 C . 0.000 SRS C15 C . 0.000 SRS C16 C . 0.000 SRS C17 C . 0.000 SRS C18 C . 0.000 SRS C19 C . 0.000 SRS C20 C . 0.000 SRS C21 C . 0.000 SRS C22 C . 0.000 SRS C23 C . 0.000 SRS C24 C . 0.000 SRS C25 C . 0.000 SRS C26 C . 0.000 SRS HN5 H . 0.000 SRS HN6 H . 0.000 SRS H21 H . 0.000 SRS H22 H . 0.000 SRS H3 H . 0.000 SRS HN2 H . 0.000 SRS H5 H . 0.000 SRS HN3 H . 0.000 SRS H71 H . 0.000 SRS H72 H . 0.000 SRS H81 H . 0.000 SRS H82 H . 0.000 SRS H91 H . 0.000 SRS H92 H . 0.000 SRS H101 H . 0.000 SRS H102 H . 0.000 SRS H111 H . 0.000 SRS H112 H . 0.000 SRS H121 H . 0.000 SRS H122 H . 0.000 SRS H131 H . 0.000 SRS H132 H . 0.000 SRS H14 H . 0.000 SRS H151 H . 0.000 SRS H152 H . 0.000 SRS H153 H . 0.000 SRS H161 H . 0.000 SRS H162 H . 0.000 SRS H163 H . 0.000 SRS H171 H . 0.000 SRS H172 H . 0.000 SRS H19 H . 0.000 SRS H_22 H . 0.000 SRS H23 H . 0.000 SRS H24 H . 0.000 SRS H25 H . 0.000 SRS H261 H . 0.000 SRS H262 H . 0.000 SRS H263 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 SRS S1 C2 single SRS S1 N5 double SRS S1 N6 double SRS S1 C26 single SRS N5 HN5 single SRS N6 HN6 single SRS C2 C3 single SRS C2 H21 single SRS C2 H22 single SRS C3 C4 single SRS C3 C13 single SRS C3 H3 single SRS C4 N2 single SRS C4 O3 double SRS N2 C5 single SRS N2 HN2 single SRS C5 C6 single SRS C5 C17 single SRS C5 H5 single SRS C6 N3 single SRS C6 O4 double SRS N3 C7 single SRS N3 HN3 single SRS C7 C8 single SRS C7 H71 single SRS C7 H72 single SRS C8 C9 single SRS C8 H81 single SRS C8 H82 single SRS C9 C10 single SRS C9 H91 single SRS C9 H92 single SRS C10 C11 single SRS C10 H101 single SRS C10 H102 single SRS C11 C12 single SRS C11 H111 single SRS C11 H112 single SRS C12 N4 single SRS C12 H121 single SRS C12 H122 single SRS N4 C19 single SRS N4 C21 single SRS C13 C14 single SRS C13 H131 single SRS C13 H132 single SRS C14 C15 single SRS C14 C16 single SRS C14 H14 single SRS C15 H151 single SRS C15 H152 single SRS C15 H153 single SRS C16 H161 single SRS C16 H162 single SRS C16 H163 single SRS C17 C18 single SRS C17 H171 single SRS C17 H172 single SRS C18 C19 double SRS C18 C20 single SRS C19 H19 single SRS C20 C21 double SRS C20 C22 single SRS C21 C23 single SRS C22 C24 double SRS C22 H_22 single SRS C23 C25 double SRS C23 H23 single SRS C24 C25 single SRS C24 H24 single SRS C25 H25 single SRS C26 H261 single SRS C26 H262 single SRS C26 H263 single