# 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 UKC UKC '8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7' non-polymer 40 23 M # data_comp_UKC # 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 UKC C1 C . 0.000 UKC O O . 0.000 UKC C C . 0.000 UKC C2 C . 0.000 UKC C3 C . 0.000 UKC C4 C . 0.000 UKC N1 N . 0.000 UKC C5 C . 0.000 UKC C6 C . 0.000 UKC C7 C . 0.000 UKC N4 N . 0.000 UKC C8 C . 0.000 UKC C9 C . 0.000 UKC C10 C . 0.000 UKC C11 C . 0.000 UKC C12 C . 0.000 UKC N2 N . 0.000 UKC C13 C . 0.000 UKC N3 N . 0.000 UKC C14 C . 0.000 UKC N N . 0.000 UKC C15 C . 0.000 UKC C16 C . 0.000 UKC H1 H . 0.000 UKC H2 H . 0.000 UKC H3 H . 0.000 UKC H_2 H . 0.000 UKC H_3 H . 0.000 UKC H61 H . 0.000 UKC H62 H . 0.000 UKC H63 H . 0.000 UKC H7 H . 0.000 UKC H10 H . 0.000 UKC H11 H . 0.000 UKC H12 H . 0.000 UKC H151 H . 0.000 UKC H152 H . 0.000 UKC H161 H . 0.000 UKC H162 H . 0.000 UKC H163 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 UKC C1 C2 single UKC C1 N double UKC C1 O single UKC O C single UKC C H1 single UKC C H2 single UKC C H3 single UKC C2 C3 double UKC C2 H_2 single UKC C3 C4 single UKC C3 H_3 single UKC C4 N1 single UKC C4 C14 double UKC N1 C5 single UKC N1 C8 single UKC C5 C6 single UKC C5 C7 double UKC C6 H61 single UKC C6 H62 single UKC C6 H63 single UKC C7 N4 single UKC C7 H7 single UKC N4 C8 double UKC C8 C9 single UKC C9 C10 single UKC C9 C13 double UKC C10 C11 double UKC C10 H10 single UKC C11 C12 single UKC C11 H11 single UKC C12 N2 double UKC C12 H12 single UKC N2 C13 single UKC C13 N3 single UKC N3 C14 single UKC N3 C15 single UKC C14 N single UKC C15 C16 single UKC C15 H151 single UKC C15 H152 single UKC C16 H161 single UKC C16 H162 single UKC C16 H163 single