# 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 HEP HEP 'PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHO' non-polymer 45 23 M # data_comp_HEP # 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 HEP C1 C . 0.000 HEP C2 C . 0.000 HEP C3 C . 0.000 HEP C4 C . 0.000 HEP C5 C . 0.000 HEP C6 C . 0.000 HEP C7 C . 0.000 HEP C8 C . 0.000 HEP C9 C . 0.000 HEP C10 C . 0.000 HEP C11 C . 0.000 HEP C12 C . 0.000 HEP C13 C . 0.000 HEP C14 C . 0.000 HEP C15 C . 0.000 HEP O1P O . 0.000 HEP O2P O . 0.000 HEP O3P O . 0.000 HEP O4 O . 0.000 HEP O5 O . 0.000 HEP O6 O . 0.000 HEP N1 N . 0.000 HEP P P . 0.000 HEP H1 H . 0.000 HEP H21 H . 0.000 HEP H22 H . 0.000 HEP H31 H . 0.000 HEP H32 H . 0.000 HEP H41 H . 0.000 HEP H42 H . 0.000 HEP H51 H . 0.000 HEP H52 H . 0.000 HEP H53 H . 0.000 HEP H6 H . 0.000 HEP H7 H . 0.000 HEP H8 H . 0.000 HEP H9 H . 0.000 HEP H10 H . 0.000 HEP H131 H . 0.000 HEP H132 H . 0.000 HEP H141 H . 0.000 HEP H142 H . 0.000 HEP HOP2 H . 0.000 HEP HO6 H . 0.000 HEP HN1 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 HEP C1 C2 single HEP C1 N1 single HEP C1 P single HEP C1 H1 single HEP C2 C3 single HEP C2 H21 single HEP C2 H22 single HEP C3 C4 single HEP C3 H31 single HEP C3 H32 single HEP C4 C5 single HEP C4 H41 single HEP C4 H42 single HEP C5 H51 single HEP C5 H52 single HEP C5 H53 single HEP C6 C7 double HEP C6 C11 single HEP C6 H6 single HEP C7 C8 single HEP C7 H7 single HEP C8 C9 double HEP C8 H8 single HEP C9 C10 single HEP C9 H9 single HEP C10 C11 double HEP C10 H10 single HEP C11 O3P single HEP C12 C14 single HEP C12 N1 single HEP C12 O4 double HEP C13 C14 single HEP C13 C15 single HEP C13 H131 single HEP C13 H132 single HEP C14 H141 single HEP C14 H142 single HEP C15 O5 double HEP C15 O6 single HEP O1P P double HEP O2P P single HEP O2P HOP2 single HEP O3P P single HEP O6 HO6 single HEP N1 HN1 single