# 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 CPA CPA '2"-DEOXYCYTIDINE-2"-DEOXYADENOSINE-3' non-polymer 62 37 M # data_comp_CPA # 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 CPA P P . 0.000 CPA O1P O . 0.000 CPA O2P O . 0.000 CPA 'CO5'' O . 0.000 CPA 'CC5'' C . 0.000 CPA 'CC4'' C . 0.000 CPA 'CO4'' O . 0.000 CPA 'CC3'' C . 0.000 CPA 'CO3'' O . 0.000 CPA 'CC2'' C . 0.000 CPA 'CC1'' C . 0.000 CPA CN1 N . 0.000 CPA CC2 C . 0.000 CPA CN3 N . 0.000 CPA CC4 C . 0.000 CPA CC5 C . 0.000 CPA CC6 C . 0.000 CPA CO2 O . 0.000 CPA CN4 N . 0.000 CPA 'AO5'' O . 0.000 CPA 'AC5'' C . 0.000 CPA 'AC4'' C . 0.000 CPA 'AO4'' O . 0.000 CPA 'AC3'' C . 0.000 CPA 'AO3'' O . 0.000 CPA 'AC2'' C . 0.000 CPA 'AC1'' C . 0.000 CPA AN9 N . 0.000 CPA AC8 C . 0.000 CPA AN7 N . 0.000 CPA AC5 C . 0.000 CPA AC6 C . 0.000 CPA AN6 N . 0.000 CPA AN1 N . 0.000 CPA AC2 C . 0.000 CPA AN3 N . 0.000 CPA AC4 C . 0.000 CPA HOP2 H . 0.000 CPA CHO5 H . 0.000 CPA CH51 H . 0.000 CPA CH52 H . 0.000 CPA 'CH4'' H . 0.000 CPA 'CH3'' H . 0.000 CPA CH21 H . 0.000 CPA CH22 H . 0.000 CPA 'CH1'' H . 0.000 CPA CH41 H . 0.000 CPA CH42 H . 0.000 CPA CH5 H . 0.000 CPA CH6 H . 0.000 CPA AH51 H . 0.000 CPA AH52 H . 0.000 CPA 'AH4'' H . 0.000 CPA 'AH3'' H . 0.000 CPA AHO3 H . 0.000 CPA AH21 H . 0.000 CPA AH22 H . 0.000 CPA 'AH1'' H . 0.000 CPA AH8 H . 0.000 CPA AH61 H . 0.000 CPA AH62 H . 0.000 CPA AH2 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 CPA P O1P double CPA P O2P single CPA P 'AO5'' single CPA P 'CO3'' single CPA O2P HOP2 single CPA 'CO5'' 'CC5'' single CPA 'CO5'' CHO5 single CPA 'CC5'' 'CC4'' single CPA 'CC5'' CH51 single CPA 'CC5'' CH52 single CPA 'CC4'' 'CC3'' single CPA 'CC4'' 'CO4'' single CPA 'CC4'' 'CH4'' single CPA 'CO4'' 'CC1'' single CPA 'CC3'' 'CC2'' single CPA 'CC3'' 'CO3'' single CPA 'CC3'' 'CH3'' single CPA 'CC2'' 'CC1'' single CPA 'CC2'' CH21 single CPA 'CC2'' CH22 single CPA 'CC1'' CN1 single CPA 'CC1'' 'CH1'' single CPA CN1 CC2 single CPA CN1 CC6 single CPA CC2 CN3 single CPA CC2 CO2 double CPA CN3 CC4 double CPA CC4 CC5 single CPA CC4 CN4 single CPA CC5 CC6 double CPA CC5 CH5 single CPA CC6 CH6 single CPA CN4 CH41 single CPA CN4 CH42 single CPA 'AO5'' 'AC5'' single CPA 'AC5'' 'AC4'' single CPA 'AC5'' AH51 single CPA 'AC5'' AH52 single CPA 'AC4'' 'AO4'' single CPA 'AC4'' 'AC3'' single CPA 'AC4'' 'AH4'' single CPA 'AO4'' 'AC1'' single CPA 'AC3'' 'AO3'' single CPA 'AC3'' 'AC2'' single CPA 'AC3'' 'AH3'' single CPA 'AO3'' AHO3 single CPA 'AC2'' 'AC1'' single CPA 'AC2'' AH21 single CPA 'AC2'' AH22 single CPA 'AC1'' AN9 single CPA 'AC1'' 'AH1'' single CPA AN9 AC8 single CPA AN9 AC4 single CPA AC8 AN7 double CPA AC8 AH8 single CPA AN7 AC5 single CPA AC5 AC6 single CPA AC5 AC4 double CPA AC6 AN6 single CPA AC6 AN1 double CPA AN6 AH61 single CPA AN6 AH62 single CPA AN1 AC2 single CPA AC2 AN3 double CPA AC2 AH2 single CPA AN3 AC4 single