# 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 TAD TAD 'BETA-METHYLENE-THIAZOLE-4-CARBOXYAMI' non-polymer 70 43 M # data_comp_TAD # 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 TAD AP P . 0.000 TAD AO1 O . 0.000 TAD AO2 O . 0.000 TAD AO5* O . 0.000 TAD AC5* C . 0.000 TAD AC4* C . 0.000 TAD AO4* O . 0.000 TAD AC3* C . 0.000 TAD AO3* O . 0.000 TAD AC2* C . 0.000 TAD AO2* O . 0.000 TAD AC1* C . 0.000 TAD AN9 N . 0.000 TAD AC8 C . 0.000 TAD AN7 N . 0.000 TAD AC5 C . 0.000 TAD AC6 C . 0.000 TAD AN6 N . 0.000 TAD AN1 N . 0.000 TAD AC2 C . 0.000 TAD AN3 N . 0.000 TAD AC4 C . 0.000 TAD C3 C . 0.000 TAD NP P . 0.000 TAD NO1 O . 0.000 TAD NO2 O . 0.000 TAD NO5* O . 0.000 TAD NC5* C . 0.000 TAD NC4* C . 0.000 TAD NO4* O . 0.000 TAD NC3* C . 0.000 TAD NO3* O . 0.000 TAD NC2* C . 0.000 TAD NO2* O . 0.000 TAD NC1* C . 0.000 TAD NC2 C . 0.000 TAD NN3 N . 0.000 TAD NC4 C . 0.000 TAD NC5 C . 0.000 TAD NS1 S . 0.000 TAD NC6 C . 0.000 TAD NO6 O . 0.000 TAD NN6 N . 0.000 TAD HOA2 H . 0.000 TAD AH51 H . 0.000 TAD AH52 H . 0.000 TAD AH4* H . 0.000 TAD AH3* H . 0.000 TAD AHO3 H . 0.000 TAD AH2* H . 0.000 TAD AHO2 H . 0.000 TAD AH1* H . 0.000 TAD AH8 H . 0.000 TAD AH61 H . 0.000 TAD AH62 H . 0.000 TAD AH2 H . 0.000 TAD H31 H . 0.000 TAD H32 H . 0.000 TAD HON2 H . 0.000 TAD NH51 H . 0.000 TAD NH52 H . 0.000 TAD NH4* H . 0.000 TAD NH3* H . 0.000 TAD NHO3 H . 0.000 TAD NH2* H . 0.000 TAD NHO2 H . 0.000 TAD NH1* H . 0.000 TAD NH5 H . 0.000 TAD NH61 H . 0.000 TAD NH62 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 TAD AP AO1 double TAD AP AO2 single TAD AP AO5* single TAD AP C3 single TAD AO2 HOA2 single TAD AO5* AC5* single TAD AC5* AC4* single TAD AC5* AH51 single TAD AC5* AH52 single TAD AC4* AO4* single TAD AC4* AC3* single TAD AC4* AH4* single TAD AO4* AC1* single TAD AC3* AO3* single TAD AC3* AC2* single TAD AC3* AH3* single TAD AO3* AHO3 single TAD AC2* AO2* single TAD AC2* AC1* single TAD AC2* AH2* single TAD AO2* AHO2 single TAD AC1* AN9 single TAD AC1* AH1* single TAD AN9 AC8 single TAD AN9 AC4 single TAD AC8 AN7 double TAD AC8 AH8 single TAD AN7 AC5 single TAD AC5 AC6 single TAD AC5 AC4 double TAD AC6 AN6 single TAD AC6 AN1 double TAD AN6 AH61 single TAD AN6 AH62 single TAD AN1 AC2 single TAD AC2 AN3 double TAD AC2 AH2 single TAD AN3 AC4 single TAD C3 NP single TAD C3 H31 single TAD C3 H32 single TAD NP NO1 double TAD NP NO2 single TAD NP NO5* single TAD NO2 HON2 single TAD NO5* NC5* single TAD NC5* NC4* single TAD NC5* NH51 single TAD NC5* NH52 single TAD NC4* NO4* single TAD NC4* NC3* single TAD NC4* NH4* single TAD NO4* NC1* single TAD NC3* NO3* single TAD NC3* NC2* single TAD NC3* NH3* single TAD NO3* NHO3 single TAD NC2* NO2* single TAD NC2* NC1* single TAD NC2* NH2* single TAD NO2* NHO2 single TAD NC1* NC2 single TAD NC1* NH1* single TAD NC2 NS1 single TAD NC2 NN3 double TAD NN3 NC4 single TAD NC4 NC5 double TAD NC4 NC6 single TAD NC5 NS1 single TAD NC5 NH5 single TAD NC6 NO6 double TAD NC6 NN6 single TAD NN6 NH61 single TAD NN6 NH62 single