# 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 AEI AEI 'THREONINE-ASPARTIC ESTER ' non-polymer 32 16 M # data_comp_AEI # 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 AEI N N . 0.000 AEI CA C . 0.000 AEI C C . 0.000 AEI O O . 0.000 AEI OXT O . 0.000 AEI CB C . 0.000 AEI CG2 C . 0.000 AEI OG1 O . 0.000 AEI CD C . 0.000 AEI OE1 O . 0.000 AEI CE2 C . 0.000 AEI CZ C . 0.000 AEI NH1 N . 0.000 AEI CH2 C . 0.000 AEI OT1 O . 0.000 AEI OT2 O . 0.000 AEI HN1 H . 0.000 AEI HN2 H . 0.000 AEI HA H . 0.000 AEI HXT H . 0.000 AEI HB H . 0.000 AEI HG1 H . 0.000 AEI HG2 H . 0.000 AEI HG3 H . 0.000 AEI HD H . 0.000 AEI HOE H . 0.000 AEI HE21 H . 0.000 AEI HE22 H . 0.000 AEI HZ H . 0.000 AEI HN11 H . 0.000 AEI HN12 H . 0.000 AEI HOT 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 AEI N CA single AEI N HN1 single AEI N HN2 single AEI CA CB single AEI CA C single AEI CA HA single AEI C O double AEI C OXT single AEI OXT HXT single AEI CB CG2 single AEI CB OG1 single AEI CB HB single AEI CG2 HG1 single AEI CG2 HG2 single AEI CG2 HG3 single AEI OG1 CD single AEI CD OE1 single AEI CD CE2 single AEI CD HD single AEI OE1 HOE single AEI CE2 CZ single AEI CE2 HE21 single AEI CE2 HE22 single AEI CZ CH2 single AEI CZ NH1 single AEI CZ HZ single AEI NH1 HN11 single AEI NH1 HN12 single AEI CH2 OT1 double AEI CH2 OT2 single AEI OT2 HOT single