# 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 CND CND '5-BETA-D-RIBOFURANOSYLNICOTINAMIDE A' non-polymer 71 44 M # data_comp_CND # 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 CND AP P . 0.000 CND AO1 O . 0.000 CND AO2 O . 0.000 CND AO5* O . 0.000 CND AC5* C . 0.000 CND AC4* C . 0.000 CND AO4* O . 0.000 CND AC3* C . 0.000 CND AO3* O . 0.000 CND AC2* C . 0.000 CND AO2* O . 0.000 CND AC1* C . 0.000 CND AN9 N . 0.000 CND AC8 C . 0.000 CND AN7 N . 0.000 CND AC5 C . 0.000 CND AC6 C . 0.000 CND AN6 N . 0.000 CND AN1 N . 0.000 CND AC2 C . 0.000 CND AN3 N . 0.000 CND AC4 C . 0.000 CND O3 O . 0.000 CND NP P . 0.000 CND NO1 O . 0.000 CND NO2 O . -1.000 CND NO5* O . 0.000 CND NC5* C . 0.000 CND NC4* C . 0.000 CND NO4* O . 0.000 CND NC3* C . 0.000 CND NO3* O . 0.000 CND NC2* C . 0.000 CND NO2* O . 0.000 CND NC1* C . 0.000 CND NC1 C . 0.000 CND NC2 C . 0.000 CND NC3 C . 0.000 CND NC7 C . 0.000 CND NO7 O . 0.000 CND NN7 N . 0.000 CND NC4 C . 0.000 CND NN5 N . 1.000 CND NC6 C . 0.000 CND HOA2 H . 0.000 CND AH51 H . 0.000 CND AH52 H . 0.000 CND AH4* H . 0.000 CND AH3* H . 0.000 CND AHO3 H . 0.000 CND AH2* H . 0.000 CND AHO2 H . 0.000 CND AH1* H . 0.000 CND AH8 H . 0.000 CND AH61 H . 0.000 CND AH62 H . 0.000 CND AH2 H . 0.000 CND NH51 H . 0.000 CND NH52 H . 0.000 CND NH4* H . 0.000 CND NH3* H . 0.000 CND NHO3 H . 0.000 CND NH2* H . 0.000 CND NHO2 H . 0.000 CND NH1* H . 0.000 CND NH2 H . 0.000 CND NH71 H . 0.000 CND NH72 H . 0.000 CND NH4 H . 0.000 CND NH5 H . 0.000 CND NH6 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 CND AP AO1 double CND AP AO2 single CND AP AO5* single CND AP O3 single CND AO2 HOA2 single CND AO5* AC5* single CND AC5* AC4* single CND AC5* AH51 single CND AC5* AH52 single CND AC4* AO4* single CND AC4* AC3* single CND AC4* AH4* single CND AO4* AC1* single CND AC3* AO3* single CND AC3* AC2* single CND AC3* AH3* single CND AO3* AHO3 single CND AC2* AO2* single CND AC2* AC1* single CND AC2* AH2* single CND AO2* AHO2 single CND AC1* AN9 single CND AC1* AH1* single CND AN9 AC8 single CND AN9 AC4 single CND AC8 AN7 double CND AC8 AH8 single CND AN7 AC5 single CND AC5 AC6 single CND AC5 AC4 double CND AC6 AN6 single CND AC6 AN1 double CND AN6 AH61 single CND AN6 AH62 single CND AN1 AC2 single CND AC2 AN3 double CND AC2 AH2 single CND AN3 AC4 single CND O3 NP single CND NP NO1 double CND NP NO2 single CND NP NO5* single CND NO5* NC5* single CND NC5* NC4* single CND NC5* NH51 single CND NC5* NH52 single CND NC4* NO4* single CND NC4* NC3* single CND NC4* NH4* single CND NO4* NC1* single CND NC3* NO3* single CND NC3* NC2* single CND NC3* NH3* single CND NO3* NHO3 single CND NC2* NO2* single CND NC2* NC1* single CND NC2* NH2* single CND NO2* NHO2 single CND NC1* NC1 single CND NC1* NH1* single CND NC1 NC2 double CND NC1 NC6 single CND NC2 NC3 single CND NC2 NH2 single CND NC3 NC7 single CND NC3 NC4 double CND NC7 NO7 double CND NC7 NN7 single CND NN7 NH71 single CND NN7 NH72 single CND NC4 NN5 single CND NC4 NH4 single CND NN5 NC6 double CND NN5 NH5 single CND NC6 NH6 single