# 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 TB9 TB9 '4-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-' non-polymer 41 21 M # data_comp_TB9 # 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 TB9 N1 N . 0.000 TB9 C1A C . 0.000 TB9 C2 C . 0.000 TB9 S2 S . 0.000 TB9 N3 N . 0.000 TB9 C3A C . 0.000 TB9 C4 C . 0.000 TB9 C5 C . 0.000 TB9 N6 N . 0.000 TB9 C7 C . 0.000 TB9 C7A C . 0.000 TB9 C8 C . 0.000 TB9 CL9 CL . 0.000 TB9 C9 C . 0.000 TB9 C10 C . 0.000 TB9 C11 C . 0.000 TB9 C12 C . 0.000 TB9 C13 C . 0.000 TB9 C14 C . 0.000 TB9 C15 C . 0.000 TB9 C16 C . 0.000 TB9 HN1 H . 0.000 TB9 H41 H . 0.000 TB9 H42 H . 0.000 TB9 H5 H . 0.000 TB9 H71 H . 0.000 TB9 H72 H . 0.000 TB9 H8 H . 0.000 TB9 H10 H . 0.000 TB9 H111 H . 0.000 TB9 H112 H . 0.000 TB9 H113 H . 0.000 TB9 H121 H . 0.000 TB9 H122 H . 0.000 TB9 H13 H . 0.000 TB9 H151 H . 0.000 TB9 H152 H . 0.000 TB9 H153 H . 0.000 TB9 H161 H . 0.000 TB9 H162 H . 0.000 TB9 H163 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 TB9 N1 C2 single TB9 N1 C1A single TB9 N1 HN1 single TB9 C1A C3A double TB9 C1A C10 single TB9 C2 N3 single TB9 C2 S2 double TB9 N3 C4 single TB9 N3 C3A single TB9 C3A C7A single TB9 C4 C5 single TB9 C4 H41 single TB9 C4 H42 single TB9 C5 N6 single TB9 C5 C11 single TB9 C5 H5 single TB9 N6 C7 single TB9 N6 C12 single TB9 C7 C7A single TB9 C7 H71 single TB9 C7 H72 single TB9 C7A C8 double TB9 C8 C9 single TB9 C8 H8 single TB9 CL9 C9 single TB9 C9 C10 double TB9 C10 H10 single TB9 C11 H111 single TB9 C11 H112 single TB9 C11 H113 single TB9 C12 C13 single TB9 C12 H121 single TB9 C12 H122 single TB9 C13 C14 double TB9 C13 H13 single TB9 C14 C15 single TB9 C14 C16 single TB9 C15 H151 single TB9 C15 H152 single TB9 C15 H153 single TB9 C16 H161 single TB9 C16 H162 single TB9 C16 H163 single