# 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 I3N I3N '1-BENZYL-5-METHOXY-2-METHYL-1H-INDOL' non-polymer 42 23 M # data_comp_I3N # 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 I3N C1 C . 0.000 I3N O2 O . 0.000 I3N C3 C . 0.000 I3N C4 C . 0.000 I3N C5 C . 0.000 I3N C6 C . 0.000 I3N C7 C . 0.000 I3N C8 C . 0.000 I3N N9 N . 0.000 I3N C10 C . 0.000 I3N C11 C . 0.000 I3N C12 C . 0.000 I3N C13 C . 0.000 I3N O14 O . 0.000 I3N O15 O . 0.000 I3N C16 C . 0.000 I3N C17 C . 0.000 I3N C18 C . 0.000 I3N C19 C . 0.000 I3N C20 C . 0.000 I3N C21 C . 0.000 I3N C22 C . 0.000 I3N C23 C . 0.000 I3N H11 H . 0.000 I3N H12 H . 0.000 I3N H13 H . 0.000 I3N H4 H . 0.000 I3N H7 H . 0.000 I3N H8 H . 0.000 I3N H171 H . 0.000 I3N H172 H . 0.000 I3N H23 H . 0.000 I3N H19 H . 0.000 I3N H22 H . 0.000 I3N H21 H . 0.000 I3N H161 H . 0.000 I3N H162 H . 0.000 I3N H163 H . 0.000 I3N H121 H . 0.000 I3N H122 H . 0.000 I3N HXT H . 0.000 I3N H20 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 I3N C1 O2 single I3N C1 H11 single I3N C1 H12 single I3N C1 H13 single I3N O2 C3 single I3N C3 C4 double I3N C3 C8 single I3N C4 C5 single I3N C4 H4 single I3N C5 C6 double I3N C5 C11 single I3N C6 C7 single I3N C6 N9 single I3N C7 C8 double I3N C7 H7 single I3N C8 H8 single I3N N9 C10 single I3N N9 C17 single I3N C10 C11 double I3N C10 C16 single I3N C11 C12 single I3N C12 C13 single I3N C12 H121 single I3N C12 H122 single I3N C13 O14 single I3N C13 O15 double I3N O14 HXT single I3N C16 H161 single I3N C16 H162 single I3N C16 H163 single I3N C17 C18 single I3N C17 H171 single I3N C17 H172 single I3N C18 C19 double I3N C18 C23 single I3N C19 C20 single I3N C19 H19 single I3N C20 C21 double I3N C20 H20 single I3N C21 C22 single I3N C21 H21 single I3N C22 C23 double I3N C22 H22 single I3N C23 H23 single