# 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 IN7 IN7 '[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENE' non-polymer 48 26 M # data_comp_IN7 # 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 IN7 C1 C . 0.000 IN7 C2 C . 0.000 IN7 C3 C . 0.000 IN7 C7 C . 0.000 IN7 C6 C . 0.000 IN7 O2 O . 0.000 IN7 C4 C . 0.000 IN7 C5 C . 0.000 IN7 O3 O . 0.000 IN7 S S . 0.000 IN7 C11 C . 0.000 IN7 C13 C . 0.000 IN7 C15 C . 0.000 IN7 N1 N . 0.000 IN7 C18 C . 0.000 IN7 C10 C . 0.000 IN7 C12 C . 0.000 IN7 C14 C . 0.000 IN7 C16 C . 0.000 IN7 C17 C . 0.000 IN7 C19 C . 0.000 IN7 O1 O . 0.000 IN7 N2 N . 0.000 IN7 C8 C . 0.000 IN7 C9 C . 0.000 IN7 O4 O . 0.000 IN7 H2 H . 0.000 IN7 H3 H . 0.000 IN7 H71 H . 0.000 IN7 H72 H . 0.000 IN7 H6 H . 0.000 IN7 H5 H . 0.000 IN7 HO3 H . 0.000 IN7 H11 H . 0.000 IN7 H131 H . 0.000 IN7 H132 H . 0.000 IN7 H151 H . 0.000 IN7 H152 H . 0.000 IN7 H181 H . 0.000 IN7 H182 H . 0.000 IN7 H10 H . 0.000 IN7 H12 H . 0.000 IN7 H14 H . 0.000 IN7 H17 H . 0.000 IN7 H19 H . 0.000 IN7 HN2 H . 0.000 IN7 H81 H . 0.000 IN7 H82 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 IN7 C1 C2 AROM IN7 C1 C6 AROM IN7 C1 N1 single IN7 C2 C3 AROM IN7 C2 H2 single IN7 C3 C4 AROM IN7 C3 H3 single IN7 C7 C11 single IN7 C7 C18 single IN7 C7 H71 single IN7 C7 H72 single IN7 C6 C5 AROM IN7 C6 H6 single IN7 O2 S double IN7 C4 C5 AROM IN7 C4 S single IN7 C5 H5 single IN7 O3 C9 single IN7 O3 HO3 single IN7 S O1 double IN7 S N2 single IN7 C11 C13 single IN7 C11 C16 single IN7 C11 H11 single IN7 C13 C15 single IN7 C13 H131 single IN7 C13 H132 single IN7 C15 N1 single IN7 C15 H151 single IN7 C15 H152 single IN7 N1 C18 single IN7 C18 H181 single IN7 C18 H182 single IN7 C10 C12 AROM IN7 C10 C19 AROM IN7 C10 H10 single IN7 C12 C14 AROM IN7 C12 H12 single IN7 C14 C16 AROM IN7 C14 H14 single IN7 C16 C17 AROM IN7 C17 C19 AROM IN7 C17 H17 single IN7 C19 H19 single IN7 N2 C8 single IN7 N2 HN2 single IN7 C8 C9 single IN7 C8 H81 single IN7 C8 H82 single IN7 C9 O4 double