# 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 ALD ALD 'CARBOBENZYLOXYLEUCINYL-LEUCINYL-LEUC' non-polymer 77 34 M # data_comp_ALD # 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 ALD C1 C . 0.000 ALD C2 C . 0.000 ALD C3 C . 0.000 ALD C4 C . 0.000 ALD C5 C . 0.000 ALD C6 C . 0.000 ALD C7 C . 0.000 ALD O8 O . 0.000 ALD C9 C . 0.000 ALD N10 N . 0.000 ALD C11 C . 0.000 ALD C12 C . 0.000 ALD N13 N . 0.000 ALD C14 C . 0.000 ALD C15 C . 0.000 ALD N16 N . 0.000 ALD C17 C . 0.000 ALD C18 C . 0.000 ALD C19 C . 0.000 ALD C20 C . 0.000 ALD C21 C . 0.000 ALD C22 C . 0.000 ALD C24 C . 0.000 ALD C25 C . 0.000 ALD C26 C . 0.000 ALD C27 C . 0.000 ALD C30 C . 0.000 ALD C31 C . 0.000 ALD C32 C . 0.000 ALD C33 C . 0.000 ALD O31 O . 0.000 ALD O32 O . 0.000 ALD O33 O . 0.000 ALD O34 O . 0.000 ALD H71 H . 0.000 ALD H72 H . 0.000 ALD HNA H . 0.000 ALD H11 H . 0.000 ALD HND H . 0.000 ALD H14 H . 0.000 ALD HNG H . 0.000 ALD H17 H . 0.000 ALD H181 H . 0.000 ALD H182 H . 0.000 ALD H19 H . 0.000 ALD H201 H . 0.000 ALD H202 H . 0.000 ALD H203 H . 0.000 ALD H211 H . 0.000 ALD H212 H . 0.000 ALD H213 H . 0.000 ALD H221 H . 0.000 ALD H222 H . 0.000 ALD H241 H . 0.000 ALD H242 H . 0.000 ALD H25 H . 0.000 ALD H261 H . 0.000 ALD H262 H . 0.000 ALD H263 H . 0.000 ALD H271 H . 0.000 ALD H272 H . 0.000 ALD H273 H . 0.000 ALD H301 H . 0.000 ALD H302 H . 0.000 ALD H31 H . 0.000 ALD H321 H . 0.000 ALD H322 H . 0.000 ALD H323 H . 0.000 ALD H331 H . 0.000 ALD H332 H . 0.000 ALD H333 H . 0.000 ALD HOX H . 0.000 ALD H1 H . 0.000 ALD H2 H . 0.000 ALD H4 H . 0.000 ALD H5 H . 0.000 ALD H6 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 ALD C1 C2 double ALD C1 C6 single ALD C1 H1 single ALD C2 C3 single ALD C2 H2 single ALD C3 C4 double ALD C3 C7 single ALD C4 C5 single ALD C4 H4 single ALD C5 C6 double ALD C5 H5 single ALD C6 H6 single ALD C7 O8 single ALD C7 H71 single ALD C7 H72 single ALD O8 C9 single ALD C9 N10 single ALD C9 O31 double ALD N10 C11 single ALD N10 HNA single ALD C11 C12 single ALD C11 C30 single ALD C11 H11 single ALD C12 N13 single ALD C12 O32 double ALD N13 C14 single ALD N13 HND single ALD C14 C15 single ALD C14 C24 single ALD C14 H14 single ALD C15 N16 single ALD C15 O34 double ALD N16 C17 single ALD N16 HNG single ALD C17 C18 single ALD C17 C22 single ALD C17 H17 single ALD C18 C19 single ALD C18 H181 single ALD C18 H182 single ALD C19 C20 single ALD C19 C21 single ALD C19 H19 single ALD C20 H201 single ALD C20 H202 single ALD C20 H203 single ALD C21 H211 single ALD C21 H212 single ALD C21 H213 single ALD C22 O33 single ALD C22 H221 single ALD C22 H222 single ALD C24 C25 single ALD C24 H241 single ALD C24 H242 single ALD C25 C26 single ALD C25 C27 single ALD C25 H25 single ALD C26 H261 single ALD C26 H262 single ALD C26 H263 single ALD C27 H271 single ALD C27 H272 single ALD C27 H273 single ALD C30 C31 single ALD C30 H301 single ALD C30 H302 single ALD C31 C32 single ALD C31 C33 single ALD C31 H31 single ALD C32 H321 single ALD C32 H322 single ALD C32 H323 single ALD C33 H331 single ALD C33 H332 single ALD C33 H333 single ALD O33 HOX single