# 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 AL4 AL4 '(R)-4-ETHYLAMINO-3,4-DIHYDRO-2-(2-ME' non-polymer 41 22 M # data_comp_AL4 # 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 AL4 C3 C . 0.000 AL4 C9 C . 0.000 AL4 C10 C . 0.000 AL4 C11 C . 0.000 AL4 C12 C . 0.000 AL4 C14 C . 0.000 AL4 C16 C . 0.000 AL4 O1A O . 0.000 AL4 O2A O . 0.000 AL4 N21 N . 0.000 AL4 S1 S . 0.000 AL4 C4 C . 0.000 AL4 C5 C . 0.000 AL4 C6 C . 0.000 AL4 S2 S . 0.000 AL4 S7 S . 0.000 AL4 O3B O . 0.000 AL4 O4B O . 0.000 AL4 N8 N . 0.000 AL4 N15 N . 0.000 AL4 O13 O . 0.000 AL4 C17 C . 0.000 AL4 H91 H . 0.000 AL4 H92 H . 0.000 AL4 H10 H . 0.000 AL4 H111 H . 0.000 AL4 H112 H . 0.000 AL4 H121 H . 0.000 AL4 H122 H . 0.000 AL4 H141 H . 0.000 AL4 H142 H . 0.000 AL4 H143 H . 0.000 AL4 H161 H . 0.000 AL4 H162 H . 0.000 AL4 HNL1 H . 0.000 AL4 HNL2 H . 0.000 AL4 H4 H . 0.000 AL4 HNF H . 0.000 AL4 H171 H . 0.000 AL4 H172 H . 0.000 AL4 H173 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 AL4 C3 S1 single AL4 C3 C4 double AL4 C3 S2 single AL4 C9 C10 single AL4 C9 N8 single AL4 C9 H91 single AL4 C9 H92 single AL4 C10 C5 single AL4 C10 N15 single AL4 C10 H10 single AL4 C11 C12 single AL4 C11 N8 single AL4 C11 H111 single AL4 C11 H112 single AL4 C12 O13 single AL4 C12 H121 single AL4 C12 H122 single AL4 C14 O13 single AL4 C14 H141 single AL4 C14 H142 single AL4 C14 H143 single AL4 C16 N15 single AL4 C16 C17 single AL4 C16 H161 single AL4 C16 H162 single AL4 O1A S1 double AL4 O2A S1 double AL4 N21 S1 single AL4 N21 HNL1 single AL4 N21 HNL2 single AL4 C4 C5 single AL4 C4 H4 single AL4 C5 C6 double AL4 C6 S2 single AL4 C6 S7 single AL4 S7 O3B double AL4 S7 O4B double AL4 S7 N8 single AL4 N15 HNF single AL4 C17 H171 single AL4 C17 H172 single AL4 C17 H173 single