# 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 EPT EPT 'HEPTANYL-P-PHENOL ' non-polymer 34 14 M # data_comp_EPT # 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 EPT C1 C . 0.000 EPT C2 C . 0.000 EPT C3 C . 0.000 EPT C4 C . 0.000 EPT C5 C . 0.000 EPT C6 C . 0.000 EPT C7 C . 0.000 EPT C8 C . 0.000 EPT C9 C . 0.000 EPT C10 C . 0.000 EPT C11 C . 0.000 EPT C12 C . 0.000 EPT C13 C . 0.000 EPT O4 O . 0.000 EPT H2 H . 0.000 EPT H3 H . 0.000 EPT H5 H . 0.000 EPT H6 H . 0.000 EPT H71 H . 0.000 EPT H72 H . 0.000 EPT H81 H . 0.000 EPT H82 H . 0.000 EPT H91 H . 0.000 EPT H92 H . 0.000 EPT H101 H . 0.000 EPT H102 H . 0.000 EPT H111 H . 0.000 EPT H112 H . 0.000 EPT H121 H . 0.000 EPT H122 H . 0.000 EPT H131 H . 0.000 EPT H132 H . 0.000 EPT H133 H . 0.000 EPT HO4 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 EPT C1 C2 double EPT C1 C6 single EPT C1 C7 single EPT C2 C3 single EPT C2 H2 single EPT C3 C4 double EPT C3 H3 single EPT C4 C5 single EPT C4 O4 single EPT C5 C6 double EPT C5 H5 single EPT C6 H6 single EPT C7 C8 single EPT C7 H71 single EPT C7 H72 single EPT C8 C9 single EPT C8 H81 single EPT C8 H82 single EPT C9 C10 single EPT C9 H91 single EPT C9 H92 single EPT C10 C11 single EPT C10 H101 single EPT C10 H102 single EPT C11 C12 single EPT C11 H111 single EPT C11 H112 single EPT C12 C13 single EPT C12 H121 single EPT C12 H122 single EPT C13 H131 single EPT C13 H132 single EPT C13 H133 single EPT O4 HO4 single