# 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 GEP GEP 'N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-E' non-polymer 53 24 M # data_comp_GEP # 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 GEP N1 N . 1.000 GEP C2 C . 0.000 GEP C3 C . 0.000 GEP C4 C . 0.000 GEP C5 C . 0.000 GEP C6 C . 0.000 GEP C7 C . 0.000 GEP C8 C . 0.000 GEP C9 C . 0.000 GEP C10 C . 0.000 GEP C11 C . 0.000 GEP C12 C . 0.000 GEP C13 C . 0.000 GEP C14 C . 0.000 GEP C15 C . 0.000 GEP N16 N . 0.000 GEP C17 C . 0.000 GEP O18 O . 0.000 GEP C19 C . 0.000 GEP C20 C . 0.000 GEP C21 C . 0.000 GEP C22 C . 0.000 GEP O23 O . 0.000 GEP O24 O . 0.000 GEP H21 H . 0.000 GEP H22 H . 0.000 GEP H31 H . 0.000 GEP H32 H . 0.000 GEP H41 H . 0.000 GEP H42 H . 0.000 GEP H51 H . 0.000 GEP H52 H . 0.000 GEP H61 H . 0.000 GEP H62 H . 0.000 GEP H71 H . 0.000 GEP H72 H . 0.000 GEP H73 H . 0.000 GEP H81 H . 0.000 GEP H82 H . 0.000 GEP H91 H . 0.000 GEP H92 H . 0.000 GEP H11 H . 0.000 GEP H12 H . 0.000 GEP H14 H . 0.000 GEP H15 H . 0.000 GEP HN6 H . 0.000 GEP H191 H . 0.000 GEP H192 H . 0.000 GEP H201 H . 0.000 GEP H202 H . 0.000 GEP H211 H . 0.000 GEP H212 H . 0.000 GEP HO3 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 GEP N1 C2 single GEP N1 C6 single GEP N1 C7 single GEP N1 C8 single GEP C2 C3 single GEP C2 H21 single GEP C2 H22 single GEP C3 C4 single GEP C3 H31 single GEP C3 H32 single GEP C4 C5 single GEP C4 H41 single GEP C4 H42 single GEP C5 C6 single GEP C5 H51 single GEP C5 H52 single GEP C6 H61 single GEP C6 H62 single GEP C7 H71 single GEP C7 H72 single GEP C7 H73 single GEP C8 C9 single GEP C8 H81 single GEP C8 H82 single GEP C9 C10 single GEP C9 H91 single GEP C9 H92 single GEP C10 C11 double GEP C10 C15 single GEP C11 C12 single GEP C11 H11 single GEP C12 C13 double GEP C12 H12 single GEP C13 C14 single GEP C13 N16 single GEP C14 C15 double GEP C14 H14 single GEP C15 H15 single GEP N16 C17 single GEP N16 HN6 single GEP C17 O18 double GEP C17 C19 single GEP C19 C20 single GEP C19 H191 single GEP C19 H192 single GEP C20 C21 single GEP C20 H201 single GEP C20 H202 single GEP C21 C22 single GEP C21 H211 single GEP C21 H212 single GEP C22 O23 single GEP C22 O24 double GEP O23 HO3 single