# 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 T29 T29 'TRI166 (BIFUNCTIONAL BORONATE INHIBI' non-polymer 68 34 M # data_comp_T29 # 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 T29 N1A N . 0.000 T29 N1B N . 0.000 T29 C1 C . 0.000 T29 S2 S . 0.000 T29 C3 C . 0.000 T29 C4 C . 0.000 T29 C5 C . 0.000 T29 C6 C . 0.000 T29 B B . 0.000 T29 O1A O . 0.000 T29 O1B O . 0.000 T29 N7 N . 0.000 T29 C8 C . 0.000 T29 O8 O . 0.000 T29 C9 C . 0.000 T29 C9A C . 0.000 T29 C9B C . 0.000 T29 C9C C . 0.000 T29 N10 N . 0.000 T29 C11 C . 0.000 T29 O11 O . 0.000 T29 C12 C . 0.000 T29 C13 C . 0.000 T29 C21 C . 0.000 T29 C22 C . 0.000 T29 C23 C . 0.000 T29 C24 C . 0.000 T29 C25 C . 0.000 T29 C26 C . 0.000 T29 N14 N . 0.000 T29 C15 C . 0.000 T29 O15 O . 0.000 T29 C16 C . 0.000 T29 C17 C . 0.000 T29 HN1 H . 0.000 T29 HN11 H . 0.000 T29 HN12 H . 0.000 T29 H31 H . 0.000 T29 H32 H . 0.000 T29 H41 H . 0.000 T29 H42 H . 0.000 T29 H51 H . 0.000 T29 H52 H . 0.000 T29 H6 H . 0.000 T29 AHO1 H . 0.000 T29 BHO1 H . 0.000 T29 HN7 H . 0.000 T29 H9 H . 0.000 T29 H9A1 H . 0.000 T29 H9A2 H . 0.000 T29 H9B1 H . 0.000 T29 H9B2 H . 0.000 T29 H9C1 H . 0.000 T29 H9C2 H . 0.000 T29 H12 H . 0.000 T29 H131 H . 0.000 T29 H132 H . 0.000 T29 H22 H . 0.000 T29 H23 H . 0.000 T29 H24 H . 0.000 T29 H25 H . 0.000 T29 H26 H . 0.000 T29 HN4 H . 0.000 T29 H161 H . 0.000 T29 H162 H . 0.000 T29 H171 H . 0.000 T29 H172 H . 0.000 T29 H173 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 T29 N1A C1 double T29 N1A HN1 single T29 N1B C1 single T29 N1B HN11 single T29 N1B HN12 single T29 C1 S2 single T29 S2 C3 single T29 C3 C4 single T29 C3 H31 single T29 C3 H32 single T29 C4 C5 single T29 C4 H41 single T29 C4 H42 single T29 C5 C6 single T29 C5 H51 single T29 C5 H52 single T29 C6 B single T29 C6 N7 single T29 C6 H6 single T29 B O1A single T29 B O1B single T29 O1A AHO1 single T29 O1B BHO1 single T29 N7 C8 single T29 N7 HN7 single T29 C8 O8 double T29 C8 C9 single T29 C9 C9A single T29 C9 N10 single T29 C9 H9 single T29 C9A C9B single T29 C9A H9A1 single T29 C9A H9A2 single T29 C9B C9C single T29 C9B H9B1 single T29 C9B H9B2 single T29 C9C N10 single T29 C9C H9C1 single T29 C9C H9C2 single T29 N10 C11 single T29 C11 O11 double T29 C11 C12 single T29 C12 C13 single T29 C12 N14 single T29 C12 H12 single T29 C13 C21 single T29 C13 H131 single T29 C13 H132 single T29 C21 C22 double T29 C21 C26 single T29 C22 C23 single T29 C22 H22 single T29 C23 C24 double T29 C23 H23 single T29 C24 C25 single T29 C24 H24 single T29 C25 C26 double T29 C25 H25 single T29 C26 H26 single T29 N14 C15 single T29 N14 HN4 single T29 C15 O15 double T29 C15 C16 single T29 C16 C17 single T29 C16 H161 single T29 C16 H162 single T29 C17 H171 single T29 C17 H172 single T29 C17 H173 single