# 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 TMD TMD '(6,7-DIHYDRO)4-[(E)-BUTENYL]-4,N-DIM' non-polymer 35 14 M # data_comp_TMD # 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 TMD N N . 0.000 TMD CN C . 0.000 TMD CA C . 0.000 TMD C C . 0.000 TMD O O . 0.000 TMD OXT O . 0.000 TMD CB C . 0.000 TMD CD1 C . 0.000 TMD CD2 C . 0.000 TMD CE C . 0.000 TMD CZ C . 0.000 TMD CH C . 0.000 TMD OG2 O . 0.000 TMD CG1 C . 0.000 TMD HN H . 0.000 TMD HN1 H . 0.000 TMD HN2 H . 0.000 TMD HN3 H . 0.000 TMD HA H . 0.000 TMD HXT H . 0.000 TMD HB H . 0.000 TMD HD11 H . 0.000 TMD HD12 H . 0.000 TMD HD21 H . 0.000 TMD HD22 H . 0.000 TMD HD23 H . 0.000 TMD HE1 H . 0.000 TMD HE2 H . 0.000 TMD HZ1 H . 0.000 TMD HZ2 H . 0.000 TMD HH1 H . 0.000 TMD HH2 H . 0.000 TMD HH3 H . 0.000 TMD HO2 H . 0.000 TMD HG1 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 TMD N CN single TMD N CA single TMD N HN single TMD CN HN1 single TMD CN HN2 single TMD CN HN3 single TMD CA C single TMD CA CB single TMD CA HA single TMD C O double TMD C OXT single TMD OXT HXT single TMD CB OG2 single TMD CB CG1 single TMD CB HB single TMD CD1 CE single TMD CD1 CG1 single TMD CD1 HD11 single TMD CD1 HD12 single TMD CD2 CG1 single TMD CD2 HD21 single TMD CD2 HD22 single TMD CD2 HD23 single TMD CE CZ single TMD CE HE1 single TMD CE HE2 single TMD CZ CH single TMD CZ HZ1 single TMD CZ HZ2 single TMD CH HH1 single TMD CH HH2 single TMD CH HH3 single TMD OG2 HO2 single TMD CG1 HG1 single