# 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 ZRA ZRA 'BENZOYL-ARGININE-ALANINE-METHYL KETO' non-polymer 56 27 M # data_comp_ZRA # 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 ZRA C1 C . 0.000 ZRA C2 C . 0.000 ZRA C3 C . 0.000 ZRA C4 C . 0.000 ZRA C5 C . 0.000 ZRA C6 C . 0.000 ZRA C7 C . 0.000 ZRA C8 C . 0.000 ZRA CA1 C . 0.000 ZRA CB1 C . 0.000 ZRA CG C . 0.000 ZRA CD C . 0.000 ZRA NE N . 0.000 ZRA CZ C . 0.000 ZRA NH1 N . 0.000 ZRA NH2 N . 0.000 ZRA C C . 0.000 ZRA CA2 C . 0.000 ZRA CB2 C . 0.000 ZRA CT C . 0.000 ZRA CM C . 0.000 ZRA N1 N . 0.000 ZRA N2 N . 0.000 ZRA O1 O . 0.000 ZRA O2 O . 0.000 ZRA O O . 0.000 ZRA OT O . 0.000 ZRA H21 H . 0.000 ZRA H22 H . 0.000 ZRA H4 H . 0.000 ZRA H5 H . 0.000 ZRA H6 H . 0.000 ZRA H7 H . 0.000 ZRA H8 H . 0.000 ZRA HA1 H . 0.000 ZRA HB11 H . 0.000 ZRA HB12 H . 0.000 ZRA HG1 H . 0.000 ZRA HG2 H . 0.000 ZRA HD1 H . 0.000 ZRA HD2 H . 0.000 ZRA HE H . 0.000 ZRA HZ H . 0.000 ZRA HH11 H . 0.000 ZRA HH12 H . 0.000 ZRA HH21 H . 0.000 ZRA HH22 H . 0.000 ZRA HA2 H . 0.000 ZRA HB21 H . 0.000 ZRA HB22 H . 0.000 ZRA HB23 H . 0.000 ZRA HM1 H . 0.000 ZRA HM2 H . 0.000 ZRA HM3 H . 0.000 ZRA HN1 H . 0.000 ZRA HN2 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 ZRA C1 O1 double ZRA C1 O2 single ZRA C1 N1 single ZRA C2 C3 single ZRA C2 O2 single ZRA C2 H21 single ZRA C2 H22 single ZRA C3 C4 double ZRA C3 C8 single ZRA C4 C5 single ZRA C4 H4 single ZRA C5 C6 double ZRA C5 H5 single ZRA C6 C7 single ZRA C6 H6 single ZRA C7 C8 double ZRA C7 H7 single ZRA C8 H8 single ZRA CA1 CB1 single ZRA CA1 C single ZRA CA1 N1 single ZRA CA1 HA1 single ZRA CB1 CG single ZRA CB1 HB11 single ZRA CB1 HB12 single ZRA CG CD single ZRA CG HG1 single ZRA CG HG2 single ZRA CD NE single ZRA CD HD1 single ZRA CD HD2 single ZRA NE CZ single ZRA NE HE single ZRA CZ NH1 single ZRA CZ NH2 single ZRA CZ HZ single ZRA NH1 HH11 single ZRA NH1 HH12 single ZRA NH2 HH21 single ZRA NH2 HH22 single ZRA C N2 single ZRA C O double ZRA CA2 CB2 single ZRA CA2 CT single ZRA CA2 N2 single ZRA CA2 HA2 single ZRA CB2 HB21 single ZRA CB2 HB22 single ZRA CB2 HB23 single ZRA CT CM single ZRA CT OT double ZRA CM HM1 single ZRA CM HM2 single ZRA CM HM3 single ZRA N1 HN1 single ZRA N2 HN2 single