# 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 ACV ACV 'L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-V' non-polymer 49 24 M # data_comp_ACV # 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 ACV C1 C . 0.000 ACV C2 C . 0.000 ACV C3 C . 0.000 ACV C4 C . 0.000 ACV C7 C . 0.000 ACV C10 C . 0.000 ACV N11 N . 0.000 ACV C12 C . 0.000 ACV C13 C . 0.000 ACV N14 N . 0.000 ACV O15 O . 0.000 ACV C16 C . 0.000 ACV S17 S . 0.000 ACV O18 O . 0.000 ACV O19 O . 0.000 ACV O20 O . 0.000 ACV N29 N . 0.000 ACV C30 C . 0.000 ACV C31 C . 0.000 ACV C32 C . 0.000 ACV C33 C . 0.000 ACV C37 C . 0.000 ACV O42 O . 0.000 ACV O43 O . 0.000 ACV H2 H . 0.000 ACV H31 H . 0.000 ACV H32 H . 0.000 ACV H41 H . 0.000 ACV H42 H . 0.000 ACV H71 H . 0.000 ACV H72 H . 0.000 ACV HNB H . 0.000 ACV H12 H . 0.000 ACV HNE1 H . 0.000 ACV HNE2 H . 0.000 ACV H161 H . 0.000 ACV H162 H . 0.000 ACV HOJ H . 0.000 ACV HNT H . 0.000 ACV H30 H . 0.000 ACV H_32 H . 0.000 ACV H331 H . 0.000 ACV H332 H . 0.000 ACV H333 H . 0.000 ACV H371 H . 0.000 ACV H372 H . 0.000 ACV H373 H . 0.000 ACV HO H . 0.000 ACV HS7 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 ACV C1 C2 single ACV C1 O19 single ACV C1 O20 double ACV C2 C3 single ACV C2 N14 single ACV C2 H2 single ACV C3 C4 single ACV C3 H31 single ACV C3 H32 single ACV C4 C7 single ACV C4 H41 single ACV C4 H42 single ACV C7 C10 single ACV C7 H71 single ACV C7 H72 single ACV C10 N11 single ACV C10 O15 double ACV N11 C12 single ACV N11 HNB single ACV C12 C13 single ACV C12 C16 single ACV C12 H12 single ACV C13 O18 double ACV C13 N29 single ACV N14 HNE1 single ACV N14 HNE2 single ACV C16 S17 single ACV C16 H161 single ACV C16 H162 single ACV S17 HS7 single ACV O19 HOJ single ACV N29 C30 single ACV N29 HNT single ACV C30 C31 single ACV C30 C32 single ACV C30 H30 single ACV C31 O42 double ACV C31 O43 single ACV C32 C33 single ACV C32 C37 single ACV C32 H_32 single ACV C33 H331 single ACV C33 H332 single ACV C33 H333 single ACV C37 H371 single ACV C37 H372 single ACV C37 H373 single ACV O43 HO single