# 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 DPS DPS '3-(1H-INDOL-3-YL)-2-[4-(4-PHENYL-PIP' non-polymer 65 36 M # data_comp_DPS # 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 DPS N1 N . 0.000 DPS C2 C . 0.000 DPS C3 C . 0.000 DPS C4 C . 0.000 DPS C5 C . 0.000 DPS N7 N . 0.000 DPS C8 C . 0.000 DPS C10 C . 0.000 DPS C11 C . 0.000 DPS C12 C . 0.000 DPS O1 O . 0.000 DPS O2 O . 0.000 DPS C1 C . 0.000 DPS C6 C . 0.000 DPS S S . 0.000 DPS C7 C . 0.000 DPS C13 C . 0.000 DPS C15 C . 0.000 DPS C18 C . 0.000 DPS C14 C . 0.000 DPS C16 C . 0.000 DPS C17 C . 0.000 DPS C19 C . 0.000 DPS N N . 0.000 DPS C20 C . 0.000 DPS C9 C . 0.000 DPS O3 O . 0.000 DPS O4 O . 0.000 DPS C21 C . 0.000 DPS C22 C . 0.000 DPS C23 C . 0.000 DPS C24 C . 0.000 DPS C25 C . 0.000 DPS C26 C . 0.000 DPS C27 C . 0.000 DPS C28 C . 0.000 DPS H10 H . 0.000 DPS H19 H . 0.000 DPS H12 H . 0.000 DPS H14 H . 0.000 DPS H17 H . 0.000 DPS H11 H . 0.000 DPS H131 H . 0.000 DPS H132 H . 0.000 DPS H71 H . 0.000 DPS H72 H . 0.000 DPS H181 H . 0.000 DPS H182 H . 0.000 DPS H151 H . 0.000 DPS H152 H . 0.000 DPS H6 H . 0.000 DPS H5 H . 0.000 DPS H2 H . 0.000 DPS H3 H . 0.000 DPS HN H . 0.000 DPS HO4 H . 0.000 DPS H8 H . 0.000 DPS H201 H . 0.000 DPS H202 H . 0.000 DPS H27 H . 0.000 DPS H25 H . 0.000 DPS HN7 H . 0.000 DPS H26 H . 0.000 DPS H22 H . 0.000 DPS H21 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 DPS N1 C1 single DPS N1 C15 single DPS N1 C18 single DPS C2 C3 double DPS C2 C1 single DPS C2 H2 single DPS C3 C4 single DPS C3 H3 single DPS C4 C5 double DPS C4 S single DPS C5 C6 single DPS C5 H5 single DPS N7 C23 single DPS N7 C27 single DPS N7 HN7 single DPS C8 N single DPS C8 C20 single DPS C8 C9 single DPS C8 H8 single DPS C10 C12 double DPS C10 C19 single DPS C10 H10 single DPS C11 C7 single DPS C11 C13 single DPS C11 C16 single DPS C11 H11 single DPS C12 C14 single DPS C12 H12 single DPS O1 S double DPS O2 S double DPS C1 C6 double DPS C6 H6 single DPS S N single DPS C7 C18 single DPS C7 H71 single DPS C7 H72 single DPS C13 C15 single DPS C13 H131 single DPS C13 H132 single DPS C15 H151 single DPS C15 H152 single DPS C18 H181 single DPS C18 H182 single DPS C14 C16 double DPS C14 H14 single DPS C16 C17 single DPS C17 C19 double DPS C17 H17 single DPS C19 H19 single DPS N HN single DPS C20 C28 single DPS C20 H201 single DPS C20 H202 single DPS C9 O3 double DPS C9 O4 single DPS O4 HO4 single DPS C21 C22 double DPS C21 C26 single DPS C21 H21 single DPS C22 C23 single DPS C22 H22 single DPS C23 C24 double DPS C24 C25 single DPS C24 C28 single DPS C25 C26 double DPS C25 H25 single DPS C26 H26 single DPS C27 C28 double DPS C27 H27 single