# 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 NBD NBD 'N6-BENZYL-NICOTINAMIDE-ADENINE-DINUC' non-polymer 84 51 M # data_comp_NBD # 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 NBD AP P . 0.000 NBD AO1P O . 0.000 NBD AO2P O . 0.000 NBD AO5* O . 0.000 NBD AC5* C . 0.000 NBD AC4* C . 0.000 NBD AO4* O . 0.000 NBD AC3* C . 0.000 NBD AO3* O . 0.000 NBD AC2* C . 0.000 NBD AO2* O . 0.000 NBD AC1* C . 0.000 NBD AN9 N . 0.000 NBD AC8 C . 0.000 NBD AN7 N . 0.000 NBD AC5 C . 0.000 NBD AC6 C . 0.000 NBD AN6 N . 0.000 NBD AN1 N . 0.000 NBD AC2 C . 0.000 NBD AN3 N . 0.000 NBD AC4 C . 0.000 NBD O3 O . 0.000 NBD NP P . 0.000 NBD NO1P O . 0.000 NBD NO2P O . -1.000 NBD NO5* O . 0.000 NBD NC5* C . 0.000 NBD NC4* C . 0.000 NBD NO4* O . 0.000 NBD NC3* C . 0.000 NBD NO3* O . 0.000 NBD NC2* C . 0.000 NBD NO2* O . 0.000 NBD NC1* C . 0.000 NBD NN1 N . 1.000 NBD NC2 C . 0.000 NBD NC3 C . 0.000 NBD NC7 C . 0.000 NBD NO7 O . 0.000 NBD NN7 N . 0.000 NBD NC4 C . 0.000 NBD NC5 C . 0.000 NBD NC6 C . 0.000 NBD CB1 C . 0.000 NBD CB2 C . 0.000 NBD CB3 C . 0.000 NBD CB7 C . 0.000 NBD CB4 C . 0.000 NBD CB6 C . 0.000 NBD CB5 C . 0.000 NBD HOA2 H . 0.000 NBD AH51 H . 0.000 NBD AH52 H . 0.000 NBD AH4* H . 0.000 NBD AH3* H . 0.000 NBD AHO3 H . 0.000 NBD AH2* H . 0.000 NBD AHO2 H . 0.000 NBD AH1* H . 0.000 NBD AH8 H . 0.000 NBD AH6 H . 0.000 NBD AH2 H . 0.000 NBD NH51 H . 0.000 NBD NH52 H . 0.000 NBD NH4* H . 0.000 NBD NH3* H . 0.000 NBD NHO3 H . 0.000 NBD NH2* H . 0.000 NBD NHO2 H . 0.000 NBD NH1* H . 0.000 NBD NH2 H . 0.000 NBD NH71 H . 0.000 NBD NH72 H . 0.000 NBD NH4 H . 0.000 NBD NH5 H . 0.000 NBD NH6 H . 0.000 NBD HB11 H . 0.000 NBD HB12 H . 0.000 NBD HB3 H . 0.000 NBD HB4 H . 0.000 NBD HB5 H . 0.000 NBD HB6 H . 0.000 NBD HB7 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 NBD AP AO1P double NBD AP AO2P single NBD AP AO5* single NBD AP O3 single NBD AO2P HOA2 single NBD AO5* AC5* single NBD AC5* AC4* single NBD AC5* AH51 single NBD AC5* AH52 single NBD AC4* AO4* single NBD AC4* AC3* single NBD AC4* AH4* single NBD AO4* AC1* single NBD AC3* AO3* single NBD AC3* AC2* single NBD AC3* AH3* single NBD AO3* AHO3 single NBD AC2* AO2* single NBD AC2* AC1* single NBD AC2* AH2* single NBD AO2* AHO2 single NBD AC1* AN9 single NBD AC1* AH1* single NBD AN9 AC8 single NBD AN9 AC4 single NBD AC8 AN7 double NBD AC8 AH8 single NBD AN7 AC5 single NBD AC5 AC6 single NBD AC5 AC4 double NBD AC6 AN6 single NBD AC6 AN1 double NBD AN6 CB1 single NBD AN6 AH6 single NBD AN1 AC2 single NBD AC2 AN3 double NBD AC2 AH2 single NBD AN3 AC4 single NBD O3 NP single NBD NP NO1P double NBD NP NO2P single NBD NP NO5* single NBD NO5* NC5* single NBD NC5* NC4* single NBD NC5* NH51 single NBD NC5* NH52 single NBD NC4* NO4* single NBD NC4* NC3* single NBD NC4* NH4* single NBD NO4* NC1* single NBD NC3* NO3* single NBD NC3* NC2* single NBD NC3* NH3* single NBD NO3* NHO3 single NBD NC2* NO2* single NBD NC2* NC1* single NBD NC2* NH2* single NBD NO2* NHO2 single NBD NC1* NN1 single NBD NC1* NH1* single NBD NN1 NC2 single NBD NN1 NC6 double NBD NC2 NC3 double NBD NC2 NH2 single NBD NC3 NC7 single NBD NC3 NC4 single NBD NC7 NO7 double NBD NC7 NN7 single NBD NN7 NH71 single NBD NN7 NH72 single NBD NC4 NC5 double NBD NC4 NH4 single NBD NC5 NC6 single NBD NC5 NH5 single NBD NC6 NH6 single NBD CB1 CB2 single NBD CB1 HB11 single NBD CB1 HB12 single NBD CB2 CB3 double NBD CB2 CB7 single NBD CB3 CB4 single NBD CB3 HB3 single NBD CB7 CB6 double NBD CB7 HB7 single NBD CB4 CB5 double NBD CB4 HB4 single NBD CB6 CB5 single NBD CB6 HB6 single NBD CB5 HB5 single