# 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 NBP NBP 'NICOTINAMIDE 8-BROMO-ADENINE DINUCLE' non-polymer 76 49 M # data_comp_NBP # 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 NBP AP P . 0.000 NBP AO1 O . 0.000 NBP AO2 O . 0.000 NBP AO5* O . 0.000 NBP AC5* C . 0.000 NBP AC4* C . 0.000 NBP AO4* O . 0.000 NBP AC3* C . 0.000 NBP AO3* O . 0.000 NBP AC2* C . 0.000 NBP AO2* O . 0.000 NBP AC1* C . 0.000 NBP AN9 N . 0.000 NBP AC8 C . 0.000 NBP BR8 BR . 0.000 NBP AN7 N . 0.000 NBP AC5 C . 0.000 NBP AC6 C . 0.000 NBP AN6 N . 0.000 NBP AN1 N . 0.000 NBP AC2 C . 0.000 NBP AN3 N . 0.000 NBP AC4 C . 0.000 NBP O3 O . 0.000 NBP NP P . 0.000 NBP NO1 O . 0.000 NBP NO2 O . -1.000 NBP NO5* O . 0.000 NBP NC5* C . 0.000 NBP NC4* C . 0.000 NBP NO4* O . 0.000 NBP NC3* C . 0.000 NBP NO3* O . 0.000 NBP NC2* C . 0.000 NBP NO2* O . 0.000 NBP NC1* C . 0.000 NBP NN1 N . 1.000 NBP NC2 C . 0.000 NBP NC3 C . 0.000 NBP NC7 C . 0.000 NBP NO7 O . 0.000 NBP NN7 N . 0.000 NBP NC4 C . 0.000 NBP NC5 C . 0.000 NBP NC6 C . 0.000 NBP AP2* P . 0.000 NBP AOP1 O . 0.000 NBP AOP2 O . 0.000 NBP AOP3 O . 0.000 NBP HOA2 H . 0.000 NBP AH51 H . 0.000 NBP AH52 H . 0.000 NBP AH4* H . 0.000 NBP AH3* H . 0.000 NBP AHO3 H . 0.000 NBP AH2* H . 0.000 NBP AH1* H . 0.000 NBP AH61 H . 0.000 NBP AH62 H . 0.000 NBP AH2 H . 0.000 NBP NH51 H . 0.000 NBP NH52 H . 0.000 NBP NH4* H . 0.000 NBP NH3* H . 0.000 NBP NHO3 H . 0.000 NBP NH2* H . 0.000 NBP NHO2 H . 0.000 NBP NH1* H . 0.000 NBP NH2 H . 0.000 NBP NH71 H . 0.000 NBP NH72 H . 0.000 NBP NH4 H . 0.000 NBP NH5 H . 0.000 NBP NH6 H . 0.000 NBP HOP2 H . 0.000 NBP HOP3 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 NBP AP AO1 double NBP AP AO2 single NBP AP AO5* single NBP AP O3 single NBP AO2 HOA2 single NBP AO5* AC5* single NBP AC5* AC4* single NBP AC5* AH51 single NBP AC5* AH52 single NBP AC4* AO4* single NBP AC4* AC3* single NBP AC4* AH4* single NBP AO4* AC1* single NBP AC3* AO3* single NBP AC3* AC2* single NBP AC3* AH3* single NBP AO3* AHO3 single NBP AC2* AO2* single NBP AC2* AC1* single NBP AC2* AH2* single NBP AO2* AP2* single NBP AC1* AN9 single NBP AC1* AH1* single NBP AN9 AC8 single NBP AN9 AC4 single NBP AC8 AN7 double NBP AC8 BR8 single NBP AN7 AC5 single NBP AC5 AC6 single NBP AC5 AC4 double NBP AC6 AN6 single NBP AC6 AN1 double NBP AN6 AH61 single NBP AN6 AH62 single NBP AN1 AC2 single NBP AC2 AN3 double NBP AC2 AH2 single NBP AN3 AC4 single NBP O3 NP single NBP NP NO1 double NBP NP NO2 single NBP NP NO5* single NBP NO5* NC5* single NBP NC5* NC4* single NBP NC5* NH51 single NBP NC5* NH52 single NBP NC4* NO4* single NBP NC4* NC3* single NBP NC4* NH4* single NBP NO4* NC1* single NBP NC3* NO3* single NBP NC3* NC2* single NBP NC3* NH3* single NBP NO3* NHO3 single NBP NC2* NO2* single NBP NC2* NC1* single NBP NC2* NH2* single NBP NO2* NHO2 single NBP NC1* NN1 single NBP NC1* NH1* single NBP NN1 NC2 single NBP NN1 NC6 double NBP NC2 NC3 double NBP NC2 NH2 single NBP NC3 NC7 single NBP NC3 NC4 single NBP NC7 NO7 double NBP NC7 NN7 single NBP NN7 NH71 single NBP NN7 NH72 single NBP NC4 NC5 double NBP NC4 NH4 single NBP NC5 NC6 single NBP NC5 NH5 single NBP NC6 NH6 single NBP AP2* AOP1 double NBP AP2* AOP2 single NBP AP2* AOP3 single NBP AOP2 HOP2 single NBP AOP3 HOP3 single