# 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 AL8 AL8 '(R)-3,4-DIHYDRO-2-(3-METHOXYPHENYL)-' non-polymer 42 25 M # data_comp_AL8 # 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 AL8 C3 C . 0.000 AL8 C9 C . 0.000 AL8 C10 C . 0.000 AL8 C16 C . 0.000 AL8 C19 C . 0.000 AL8 C20 C . 0.000 AL8 C21 C . 0.000 AL8 C22 C . 0.000 AL8 C24 C . 0.000 AL8 N21 N . 0.000 AL8 S1 S . 0.000 AL8 O1A O . 0.000 AL8 O2A O . 0.000 AL8 S2 S . 0.000 AL8 C6 C . 0.000 AL8 C5 C . 0.000 AL8 C4 C . 0.000 AL8 N8 N . 0.000 AL8 S7 S . 0.000 AL8 O3B O . 0.000 AL8 O4B O . 0.000 AL8 N15 N . 0.000 AL8 C17 C . 0.000 AL8 C18 C . 0.000 AL8 O23 O . 0.000 AL8 H91 H . 0.000 AL8 H92 H . 0.000 AL8 H10 H . 0.000 AL8 H161 H . 0.000 AL8 H162 H . 0.000 AL8 H163 H . 0.000 AL8 H241 H . 0.000 AL8 H242 H . 0.000 AL8 H243 H . 0.000 AL8 HNL1 H . 0.000 AL8 HNL2 H . 0.000 AL8 H4 H . 0.000 AL8 HNF H . 0.000 AL8 H19 H . 0.000 AL8 H20 H . 0.000 AL8 H22 H . 0.000 AL8 H18 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 AL8 C3 S1 single AL8 C3 S2 single AL8 C3 C4 double AL8 C9 C10 single AL8 C9 N8 single AL8 C9 H91 single AL8 C9 H92 single AL8 C10 C5 single AL8 C10 N15 single AL8 C10 H10 single AL8 C16 N15 single AL8 C16 H161 single AL8 C16 H162 single AL8 C16 H163 single AL8 C19 C20 double AL8 C19 C18 single AL8 C19 H19 single AL8 C20 C21 single AL8 C20 H20 single AL8 C21 C22 double AL8 C21 O23 single AL8 C22 C17 single AL8 C22 H22 single AL8 C24 O23 single AL8 C24 H241 single AL8 C24 H242 single AL8 C24 H243 single AL8 N21 S1 single AL8 N21 HNL1 single AL8 N21 HNL2 single AL8 S1 O1A double AL8 S1 O2A double AL8 S2 C6 single AL8 C6 C5 double AL8 C6 S7 single AL8 C5 C4 single AL8 C4 H4 single AL8 N8 S7 single AL8 N8 C17 single AL8 S7 O3B double AL8 S7 O4B double AL8 N15 HNF single AL8 C17 C18 double AL8 C18 H18 single