# 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 RS7 RS7 '3-(2-OCTYLPHENYL)PROPANOIC ACID ' non-polymer 45 19 M # data_comp_RS7 # 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 RS7 C1 C . 0.000 RS7 O19 O . 0.000 RS7 O18 O . 0.000 RS7 C2 C . 0.000 RS7 C3 C . 0.000 RS7 C4 C . 0.000 RS7 C5 C . 0.000 RS7 C6 C . 0.000 RS7 C7 C . 0.000 RS7 C8 C . 0.000 RS7 C9 C . 0.000 RS7 C10 C . 0.000 RS7 C11 C . 0.000 RS7 C12 C . 0.000 RS7 C13 C . 0.000 RS7 C14 C . 0.000 RS7 C15 C . 0.000 RS7 C16 C . 0.000 RS7 C17 C . 0.000 RS7 HO8 H . 0.000 RS7 H21 H . 0.000 RS7 H22 H . 0.000 RS7 H31 H . 0.000 RS7 H32 H . 0.000 RS7 H5 H . 0.000 RS7 H6 H . 0.000 RS7 H7 H . 0.000 RS7 H8 H . 0.000 RS7 H101 H . 0.000 RS7 H102 H . 0.000 RS7 H111 H . 0.000 RS7 H112 H . 0.000 RS7 H121 H . 0.000 RS7 H122 H . 0.000 RS7 H131 H . 0.000 RS7 H132 H . 0.000 RS7 H141 H . 0.000 RS7 H142 H . 0.000 RS7 H151 H . 0.000 RS7 H152 H . 0.000 RS7 H161 H . 0.000 RS7 H162 H . 0.000 RS7 H171 H . 0.000 RS7 H172 H . 0.000 RS7 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 RS7 C1 O19 double RS7 C1 O18 single RS7 C1 C2 single RS7 O18 HO8 single RS7 C2 C3 single RS7 C2 H21 single RS7 C2 H22 single RS7 C3 C4 single RS7 C3 H31 single RS7 C3 H32 single RS7 C4 C5 double RS7 C4 C9 single RS7 C5 C6 single RS7 C5 H5 single RS7 C6 C7 double RS7 C6 H6 single RS7 C7 C8 single RS7 C7 H7 single RS7 C8 C9 double RS7 C8 H8 single RS7 C9 C10 single RS7 C10 C11 single RS7 C10 H101 single RS7 C10 H102 single RS7 C11 C12 single RS7 C11 H111 single RS7 C11 H112 single RS7 C12 C13 single RS7 C12 H121 single RS7 C12 H122 single RS7 C13 C14 single RS7 C13 H131 single RS7 C13 H132 single RS7 C14 C15 single RS7 C14 H141 single RS7 C14 H142 single RS7 C15 C16 single RS7 C15 H151 single RS7 C15 H152 single RS7 C16 C17 single RS7 C16 H161 single RS7 C16 H162 single RS7 C17 H171 single RS7 C17 H172 single RS7 C17 H173 single