# 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 AL3 AL3 '3,4-DIHYDRO-4-HYDROXY-2-(2-THIENYMET' non-polymer 34 22 M # data_comp_AL3 # 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 AL3 C3 C . 0.000 AL3 O5 O . 0.000 AL3 C9 C . 0.000 AL3 C10 C . 0.000 AL3 C11 C . 0.000 AL3 C12 C . 0.000 AL3 C13 C . 0.000 AL3 C14 C . 0.000 AL3 C15 C . 0.000 AL3 O1A O . 0.000 AL3 O2A O . 0.000 AL3 N21 N . 0.000 AL3 S1 S . 0.000 AL3 C4 C . 0.000 AL3 C5 C . 0.000 AL3 C6 C . 0.000 AL3 S2 S . 0.000 AL3 S7 S . 0.000 AL3 O3B O . 0.000 AL3 O4B O . 0.000 AL3 N8 N . 0.000 AL3 S16 S . 0.000 AL3 HO5 H . 0.000 AL3 H91 H . 0.000 AL3 H92 H . 0.000 AL3 H10 H . 0.000 AL3 H111 H . 0.000 AL3 H112 H . 0.000 AL3 H13 H . 0.000 AL3 H14 H . 0.000 AL3 H15 H . 0.000 AL3 HNL1 H . 0.000 AL3 HNL2 H . 0.000 AL3 H4 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 AL3 C3 S1 single AL3 C3 C4 double AL3 C3 S2 single AL3 O5 C10 single AL3 O5 HO5 single AL3 C9 C10 single AL3 C9 N8 single AL3 C9 H91 single AL3 C9 H92 single AL3 C10 C5 single AL3 C10 H10 single AL3 C11 C12 single AL3 C11 N8 single AL3 C11 H111 single AL3 C11 H112 single AL3 C12 C13 double AL3 C12 S16 single AL3 C13 C14 single AL3 C13 H13 single AL3 C14 C15 double AL3 C14 H14 single AL3 C15 S16 single AL3 C15 H15 single AL3 O1A S1 double AL3 O2A S1 double AL3 N21 S1 single AL3 N21 HNL1 single AL3 N21 HNL2 single AL3 C4 C5 single AL3 C4 H4 single AL3 C5 C6 double AL3 C6 S2 single AL3 C6 S7 single AL3 S7 O3B double AL3 S7 O4B double AL3 S7 N8 single