# 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 ADC ADC '(1"R,2"S)-9-(2-HYDROXY-3"-KETO-CYCLO' non-polymer 28 17 M # data_comp_ADC # 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 ADC 'C5'' C . 0.000 ADC 'C4'' C . 0.000 ADC 'C3'' C . 0.000 ADC 'O3'' O . 0.000 ADC 'C2'' C . 0.000 ADC 'O2'' O . 0.000 ADC 'C1'' C . 0.000 ADC N9 N . 0.000 ADC C8 C . 0.000 ADC N7 N . 0.000 ADC C5 C . 0.000 ADC C6 C . 0.000 ADC N6 N . 0.000 ADC N1 N . 0.000 ADC C2 C . 0.000 ADC N3 N . 0.000 ADC C4 C . 0.000 ADC 'H5'' H . 0.000 ADC 'H4'' H . 0.000 ADC 'H3'' H . 0.000 ADC HO3 H . 0.000 ADC 'H2'' H . 0.000 ADC HO2 H . 0.000 ADC 'H1'' H . 0.000 ADC H8 H . 0.000 ADC HN61 H . 0.000 ADC HN62 H . 0.000 ADC H2 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 ADC 'C5'' 'C4'' double ADC 'C5'' 'C1'' single ADC 'C5'' 'H5'' single ADC 'C4'' 'C3'' single ADC 'C4'' 'H4'' single ADC 'C3'' 'O3'' single ADC 'C3'' 'C2'' single ADC 'C3'' 'H3'' single ADC 'O3'' HO3 single ADC 'C2'' 'O2'' single ADC 'C2'' 'C1'' single ADC 'C2'' 'H2'' single ADC 'O2'' HO2 single ADC 'C1'' N9 single ADC 'C1'' 'H1'' single ADC N9 C8 single ADC N9 C4 single ADC C8 N7 double ADC C8 H8 single ADC N7 C5 single ADC C5 C6 single ADC C5 C4 double ADC C6 N6 single ADC C6 N1 double ADC N6 HN61 single ADC N6 HN62 single ADC N1 C2 single ADC C2 N3 double ADC C2 H2 single ADC N3 C4 single