# 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 DI4 DI4 'AC-(D)PHE-PRO-BOROHOMOLYS-OH ' non-polymer 67 32 M # data_comp_DI4 # 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 DI4 B1 B . 0.000 DI4 C C . 0.000 DI4 C2 C . 0.000 DI4 C3 C . 0.000 DI4 C4 C . 0.000 DI4 C5 C . 0.000 DI4 C6 C . 0.000 DI4 C7 C . 0.000 DI4 C8 C . 0.000 DI4 C9 C . 0.000 DI4 C10 C . 0.000 DI4 C11 C . 0.000 DI4 C12 C . 0.000 DI4 C13 C . 0.000 DI4 C14 C . 0.000 DI4 C15 C . 0.000 DI4 C16 C . 0.000 DI4 C17 C . 0.000 DI4 C18 C . 0.000 DI4 C19 C . 0.000 DI4 C20 C . 0.000 DI4 C21 C . 0.000 DI4 C22 C . 0.000 DI4 N N . 0.000 DI4 N1 N . 0.000 DI4 N2 N . 0.000 DI4 N3 N . 0.000 DI4 O O . 0.000 DI4 O1 O . 0.000 DI4 O2 O . 0.000 DI4 O3 O . 0.000 DI4 O4 O . 0.000 DI4 H H . 0.000 DI4 H21 H . 0.000 DI4 H22 H . 0.000 DI4 H31 H . 0.000 DI4 H32 H . 0.000 DI4 H41 H . 0.000 DI4 H42 H . 0.000 DI4 H51 H . 0.000 DI4 H52 H . 0.000 DI4 H61 H . 0.000 DI4 H62 H . 0.000 DI4 H7 H . 0.000 DI4 H91 H . 0.000 DI4 H92 H . 0.000 DI4 H101 H . 0.000 DI4 H102 H . 0.000 DI4 H111 H . 0.000 DI4 H112 H . 0.000 DI4 H131 H . 0.000 DI4 H132 H . 0.000 DI4 H14 H . 0.000 DI4 H161 H . 0.000 DI4 H162 H . 0.000 DI4 H163 H . 0.000 DI4 H17 H . 0.000 DI4 H18 H . 0.000 DI4 H19 H . 0.000 DI4 H20 H . 0.000 DI4 H_22 H . 0.000 DI4 HN H . 0.000 DI4 HN11 H . 0.000 DI4 HN12 H . 0.000 DI4 HN3 H . 0.000 DI4 HO H . 0.000 DI4 HO1 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 DI4 B1 C single DI4 B1 O single DI4 B1 O1 single DI4 C C2 single DI4 C N single DI4 C H single DI4 C2 C3 single DI4 C2 H21 single DI4 C2 H22 single DI4 C3 C4 single DI4 C3 H31 single DI4 C3 H32 single DI4 C4 C5 single DI4 C4 H41 single DI4 C4 H42 single DI4 C5 C6 single DI4 C5 H51 single DI4 C5 H52 single DI4 C6 N1 single DI4 C6 H61 single DI4 C6 H62 single DI4 C7 C8 single DI4 C7 C9 single DI4 C7 N2 single DI4 C7 H7 single DI4 C8 N single DI4 C8 O2 double DI4 C9 C10 single DI4 C9 H91 single DI4 C9 H92 single DI4 C10 C11 single DI4 C10 H101 single DI4 C10 H102 single DI4 C11 N2 single DI4 C11 H111 single DI4 C11 H112 single DI4 C12 C14 single DI4 C12 N2 single DI4 C12 O3 double DI4 C13 C14 single DI4 C13 C21 single DI4 C13 H131 single DI4 C13 H132 single DI4 C14 N3 single DI4 C14 H14 single DI4 C15 C16 single DI4 C15 N3 single DI4 C15 O4 double DI4 C16 H161 single DI4 C16 H162 single DI4 C16 H163 single DI4 C17 C18 double DI4 C17 C22 single DI4 C17 H17 single DI4 C18 C19 single DI4 C18 H18 single DI4 C19 C20 double DI4 C19 H19 single DI4 C20 C21 single DI4 C20 H20 single DI4 C21 C22 double DI4 C22 H_22 single DI4 N HN single DI4 N1 HN11 single DI4 N1 HN12 single DI4 N3 HN3 single DI4 O HO single DI4 O1 HO1 single