# 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 TCS TCS '4-CHLORO-2-HYDROXYPHENYL 2,4-DICHLOR' non-polymer 24 17 M # data_comp_TCS # 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 TCS C1 C . 0.000 TCS C2 C . 0.000 TCS C3 C . 0.000 TCS C4 C . 0.000 TCS C5 C . 0.000 TCS C6 C . 0.000 TCS O1 O . 0.000 TCS O2 O . 0.000 TCS CL1 CL . 0.000 TCS C7 C . 0.000 TCS C8 C . 0.000 TCS C9 C . 0.000 TCS C10 C . 0.000 TCS C11 C . 0.000 TCS C12 C . 0.000 TCS CL2 CL . 0.000 TCS CL3 CL . 0.000 TCS HO2 H . 0.000 TCS H3 H . 0.000 TCS H5 H . 0.000 TCS H6 H . 0.000 TCS H9 H . 0.000 TCS H11 H . 0.000 TCS H12 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 TCS C1 C2 double TCS C1 C6 single TCS C1 O1 single TCS C2 C3 single TCS C2 O2 single TCS C3 C4 double TCS C3 H3 single TCS C4 C5 single TCS C4 CL1 single TCS C5 C6 double TCS C5 H5 single TCS C6 H6 single TCS O1 C7 single TCS O2 HO2 single TCS C7 C8 double TCS C7 C12 single TCS C8 C9 single TCS C8 CL2 single TCS C9 C10 double TCS C9 H9 single TCS C10 C11 single TCS C10 CL3 single TCS C11 C12 double TCS C11 H11 single TCS C12 H12 single