# 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 AL6 AL6 '2-(3-METHOXYPHENYL)-2H-THIENO-[3,2-E' non-polymer 35 23 M # data_comp_AL6 # 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 AL6 C3 C . 0.000 AL6 O5 O . 0.000 AL6 C9 C . 0.000 AL6 C10 C . 0.000 AL6 C11 C . 0.000 AL6 C12 C . 0.000 AL6 C13 C . 0.000 AL6 C14 C . 0.000 AL6 C15 C . 0.000 AL6 C16 C . 0.000 AL6 O1A O . 0.000 AL6 O2A O . 0.000 AL6 N21 N . 0.000 AL6 S1 S . 0.000 AL6 C4 C . 0.000 AL6 C5 C . 0.000 AL6 C6 C . 0.000 AL6 S2 S . 0.000 AL6 S7 S . 0.000 AL6 O3B O . 0.000 AL6 O4B O . 0.000 AL6 N8 N . 0.000 AL6 C17 C . 0.000 AL6 H9 H . 0.000 AL6 H10 H . 0.000 AL6 HNL1 H . 0.000 AL6 HNL2 H . 0.000 AL6 H4 H . 0.000 AL6 H171 H . 0.000 AL6 H172 H . 0.000 AL6 H173 H . 0.000 AL6 H12 H . 0.000 AL6 H13 H . 0.000 AL6 H14 H . 0.000 AL6 H16 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 AL6 C3 S1 single AL6 C3 C4 double AL6 C3 S2 single AL6 O5 C15 single AL6 O5 C17 single AL6 C9 C10 double AL6 C9 N8 single AL6 C9 H9 single AL6 C10 C5 single AL6 C10 H10 single AL6 C11 C12 double AL6 C11 C16 single AL6 C11 N8 single AL6 C12 C13 single AL6 C12 H12 single AL6 C13 C14 double AL6 C13 H13 single AL6 C14 C15 single AL6 C14 H14 single AL6 C15 C16 double AL6 C16 H16 single AL6 O1A S1 double AL6 O2A S1 double AL6 N21 S1 single AL6 N21 HNL1 single AL6 N21 HNL2 single AL6 C4 C5 single AL6 C4 H4 single AL6 C5 C6 double AL6 C6 S2 single AL6 C6 S7 single AL6 S7 O3B double AL6 S7 O4B double AL6 S7 N8 single AL6 C17 H171 single AL6 C17 H172 single AL6 C17 H173 single