# 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 HBY HBY '(S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3' non-polymer 42 22 M # data_comp_HBY # 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 HBY C1 C . 0.000 HBY C2 C . 0.000 HBY C3 C . 0.000 HBY C4 C . 0.000 HBY C5 C . 0.000 HBY C6 C . 0.000 HBY C7 C . 0.000 HBY C8 C . 0.000 HBY C9 C . 0.000 HBY C10 C . 0.000 HBY C12 C . 0.000 HBY C11 C . 0.000 HBY C13 C . 0.000 HBY C14 C . 0.000 HBY C15 C . 0.000 HBY N1 N . 0.000 HBY N2 N . 0.000 HBY O1 O . 0.000 HBY O2 O . 0.000 HBY O3 O . 0.000 HBY S1 S . 0.000 HBY S2 S . 0.000 HBY H1 H . 0.000 HBY H5 H . 0.000 HBY H10 H . 0.000 HBY H121 H . 0.000 HBY H122 H . 0.000 HBY H123 H . 0.000 HBY H111 H . 0.000 HBY H112 H . 0.000 HBY H113 H . 0.000 HBY H131 H . 0.000 HBY H132 H . 0.000 HBY H141 H . 0.000 HBY H142 H . 0.000 HBY H143 H . 0.000 HBY H151 H . 0.000 HBY H152 H . 0.000 HBY H153 H . 0.000 HBY HN2 H . 0.000 HBY H7 H . 0.000 HBY H8 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 HBY C1 C2 single HBY C1 C13 single HBY C1 N1 single HBY C1 H1 single HBY C2 N2 single HBY C2 S1 double HBY C3 C4 double HBY C3 C8 single HBY C3 N2 single HBY C4 C5 single HBY C4 N1 single HBY C5 C6 double HBY C5 H5 single HBY C6 C7 single HBY C6 O3 single HBY C7 C8 double HBY C7 H7 single HBY C8 H8 single HBY C9 N1 single HBY C9 O1 double HBY C9 O2 single HBY C10 C12 single HBY C10 C11 single HBY C10 O2 single HBY C10 H10 single HBY C12 H121 single HBY C12 H122 single HBY C12 H123 single HBY C11 H111 single HBY C11 H112 single HBY C11 H113 single HBY C13 S2 single HBY C13 H131 single HBY C13 H132 single HBY C14 S2 single HBY C14 H141 single HBY C14 H142 single HBY C14 H143 single HBY C15 O3 single HBY C15 H151 single HBY C15 H152 single HBY C15 H153 single HBY N2 HN2 single