# 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 MTB MTB '2-((3"-TERTBUTYL-4"-HYDROXYPHENYL)AZ' non-polymer 40 22 M # data_comp_MTB # 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 MTB C1 C . 0.000 MTB C2 C . 0.000 MTB C3 C . 0.000 MTB C4 C . 0.000 MTB C5 C . 0.000 MTB C6 C . 0.000 MTB 'C1'' C . 0.000 MTB 'C2'' C . 0.000 MTB 'C3'' C . 0.000 MTB 'C4'' C . 0.000 MTB 'C5'' C . 0.000 MTB 'C6'' C . 0.000 MTB C C . 0.000 MTB CT3 C . 0.000 MTB CH31 C . 0.000 MTB CH32 C . 0.000 MTB CH33 C . 0.000 MTB N1 N . 0.000 MTB 'N1'' N . 0.000 MTB O O . 0.000 MTB OXT O . 0.000 MTB 'O4'' O . 0.000 MTB H3 H . 0.000 MTB H4 H . 0.000 MTB H5 H . 0.000 MTB H6 H . 0.000 MTB 'H2'' H . 0.000 MTB 'H5'' H . 0.000 MTB 'H6'' H . 0.000 MTB H11 H . 0.000 MTB H12 H . 0.000 MTB H13 H . 0.000 MTB H21 H . 0.000 MTB H22 H . 0.000 MTB H23 H . 0.000 MTB H31 H . 0.000 MTB H32 H . 0.000 MTB H33 H . 0.000 MTB HXT H . 0.000 MTB 'HO4'' 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 MTB C1 C2 single MTB C1 C6 double MTB C1 N1 single MTB C2 C3 double MTB C2 C single MTB C3 C4 single MTB C3 H3 single MTB C4 C5 double MTB C4 H4 single MTB C5 C6 single MTB C5 H5 single MTB C6 H6 single MTB 'C1'' 'C2'' single MTB 'C1'' 'C6'' double MTB 'C1'' 'N1'' single MTB 'C2'' 'C3'' double MTB 'C2'' 'H2'' single MTB 'C3'' 'C4'' single MTB 'C3'' CT3 single MTB 'C4'' 'C5'' double MTB 'C4'' 'O4'' single MTB 'C5'' 'C6'' single MTB 'C5'' 'H5'' single MTB 'C6'' 'H6'' single MTB C O double MTB C OXT single MTB CT3 CH31 single MTB CT3 CH32 single MTB CT3 CH33 single MTB CH31 H11 single MTB CH31 H12 single MTB CH31 H13 single MTB CH32 H21 single MTB CH32 H22 single MTB CH32 H23 single MTB CH33 H31 single MTB CH33 H32 single MTB CH33 H33 single MTB N1 'N1'' double MTB OXT HXT single MTB 'O4'' 'HO4'' single