# 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 TBM TBM '4-METHYL-4-[(E)-2-BUTENYL]-4,N-DIMET' non-polymer 36 15 M # data_comp_TBM # 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 TBM N N . 0.000 TBM CT C . 0.000 TBM CN C . 0.000 TBM CA C . 0.000 TBM C C . 0.000 TBM O O . 0.000 TBM OXT O . 0.000 TBM CB C . 0.000 TBM OG1 O . 0.000 TBM CG2 C . 0.000 TBM CD1 C . 0.000 TBM CD2 C . 0.000 TBM CE C . 0.000 TBM CZ C . 0.000 TBM CH C . 0.000 TBM HCT1 H . 0.000 TBM HCT2 H . 0.000 TBM HCT3 H . 0.000 TBM HCN1 H . 0.000 TBM HCN2 H . 0.000 TBM HCN3 H . 0.000 TBM HA H . 0.000 TBM HXT H . 0.000 TBM HB H . 0.000 TBM HG1 H . 0.000 TBM HG2 H . 0.000 TBM HD11 H . 0.000 TBM HD12 H . 0.000 TBM HD13 H . 0.000 TBM HD21 H . 0.000 TBM HD22 H . 0.000 TBM HE H . 0.000 TBM HZ H . 0.000 TBM HH1 H . 0.000 TBM HH2 H . 0.000 TBM HH3 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 TBM N CN single TBM N CA single TBM N CT single TBM CT HCT1 single TBM CT HCT2 single TBM CT HCT3 single TBM CN HCN1 single TBM CN HCN2 single TBM CN HCN3 single TBM CA CB single TBM CA C single TBM CA HA single TBM C O double TBM C OXT single TBM OXT HXT single TBM CB CG2 single TBM CB OG1 single TBM CB HB single TBM OG1 HG1 single TBM CG2 CD1 single TBM CG2 CD2 single TBM CG2 HG2 single TBM CD1 HD11 single TBM CD1 HD12 single TBM CD1 HD13 single TBM CD2 CE single TBM CD2 HD21 single TBM CD2 HD22 single TBM CE CZ double TBM CE HE single TBM CZ CH single TBM CZ HZ single TBM CH HH1 single TBM CH HH2 single TBM CH HH3 single