# 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 ZID ZID 'ISONICOTINIC-ACETYL-NICOTINAMIDE-ADE' non-polymer 82 52 M # data_comp_ZID # 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 ZID AP P . 0.000 ZID AO1 O . 0.000 ZID AO2 O . 0.000 ZID AO5* O . 0.000 ZID AC5* C . 0.000 ZID AC4* C . 0.000 ZID AO4* O . 0.000 ZID AC3* C . 0.000 ZID AO3* O . 0.000 ZID AC2* C . 0.000 ZID AO2* O . 0.000 ZID AC1* C . 0.000 ZID AN9 N . 0.000 ZID AC8 C . 0.000 ZID AN7 N . 0.000 ZID AC5 C . 0.000 ZID AC6 C . 0.000 ZID AN6 N . 0.000 ZID AN1 N . 0.000 ZID AC2 C . 0.000 ZID AN3 N . 0.000 ZID AC4 C . 0.000 ZID O3 O . 0.000 ZID NP P . 0.000 ZID NO1 O . 0.000 ZID NO2 O . -1.000 ZID NO5* O . 0.000 ZID NC5* C . 0.000 ZID NC4* C . 0.000 ZID NO4* O . 0.000 ZID NC3* C . 0.000 ZID NO3* O . 0.000 ZID NC2* C . 0.000 ZID NO2* O . 0.000 ZID NC1* C . 0.000 ZID NN1 N . 1.000 ZID NC2 C . 0.000 ZID NC3 C . 0.000 ZID NC7 C . 0.000 ZID NO7 O . 0.000 ZID NN7 N . 0.000 ZID NC4 C . 0.000 ZID NC5 C . 0.000 ZID NC6 C . 0.000 ZID ZC7 C . 0.000 ZID ZO7 O . 0.000 ZID ZN1 N . 0.000 ZID ZC2 C . 0.000 ZID ZC3 C . 0.000 ZID ZC4 C . 0.000 ZID ZC5 C . 0.000 ZID ZC6 C . 0.000 ZID HOA2 H . 0.000 ZID AH51 H . 0.000 ZID AH52 H . 0.000 ZID AH4* H . 0.000 ZID AH3* H . 0.000 ZID AHO3 H . 0.000 ZID AH2* H . 0.000 ZID AHO2 H . 0.000 ZID AH1* H . 0.000 ZID AH8 H . 0.000 ZID AH61 H . 0.000 ZID AH62 H . 0.000 ZID AH2 H . 0.000 ZID NH51 H . 0.000 ZID NH52 H . 0.000 ZID NH4* H . 0.000 ZID NH3* H . 0.000 ZID NHO3 H . 0.000 ZID NH2* H . 0.000 ZID NHO2 H . 0.000 ZID NH1* H . 0.000 ZID NH2 H . 0.000 ZID NH71 H . 0.000 ZID NH72 H . 0.000 ZID NH5 H . 0.000 ZID NH6 H . 0.000 ZID ZH2 H . 0.000 ZID ZH3 H . 0.000 ZID ZH5 H . 0.000 ZID ZH6 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 ZID AP AO1 double ZID AP AO2 single ZID AP AO5* single ZID AP O3 single ZID AO2 HOA2 single ZID AO5* AC5* single ZID AC5* AC4* single ZID AC5* AH51 single ZID AC5* AH52 single ZID AC4* AO4* single ZID AC4* AC3* single ZID AC4* AH4* single ZID AO4* AC1* single ZID AC3* AO3* single ZID AC3* AC2* single ZID AC3* AH3* single ZID AO3* AHO3 single ZID AC2* AO2* single ZID AC2* AC1* single ZID AC2* AH2* single ZID AO2* AHO2 single ZID AC1* AN9 single ZID AC1* AH1* single ZID AN9 AC8 single ZID AN9 AC4 single ZID AC8 AN7 double ZID AC8 AH8 single ZID AN7 AC5 single ZID AC5 AC6 single ZID AC5 AC4 double ZID AC6 AN6 single ZID AC6 AN1 double ZID AN6 AH61 single ZID AN6 AH62 single ZID AN1 AC2 single ZID AC2 AN3 double ZID AC2 AH2 single ZID AN3 AC4 single ZID O3 NP single ZID NP NO1 double ZID NP NO2 single ZID NP NO5* single ZID NO5* NC5* single ZID NC5* NC4* single ZID NC5* NH51 single ZID NC5* NH52 single ZID NC4* NO4* single ZID NC4* NC3* single ZID NC4* NH4* single ZID NO4* NC1* single ZID NC3* NO3* single ZID NC3* NC2* single ZID NC3* NH3* single ZID NO3* NHO3 single ZID NC2* NO2* single ZID NC2* NC1* single ZID NC2* NH2* single ZID NO2* NHO2 single ZID NC1* NN1 single ZID NC1* NH1* single ZID NN1 NC2 single ZID NN1 NC6 double ZID NC2 NC3 double ZID NC2 NH2 single ZID NC3 NC7 single ZID NC3 NC4 single ZID NC7 NO7 double ZID NC7 NN7 single ZID NN7 NH71 single ZID NN7 NH72 single ZID NC4 NC5 double ZID NC4 ZC7 single ZID NC5 NC6 single ZID NC5 NH5 single ZID NC6 NH6 single ZID ZC7 ZO7 double ZID ZC7 ZC4 single ZID ZN1 ZC2 double ZID ZN1 ZC6 single ZID ZC2 ZC3 single ZID ZC2 ZH2 single ZID ZC3 ZC4 double ZID ZC3 ZH3 single ZID ZC4 ZC5 single ZID ZC5 ZC6 double ZID ZC5 ZH5 single ZID ZC6 ZH6 single