# 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 CST CST '[[PHENYLALANINE-CARBONYL-AMINO-2-(2-' non-polymer 86 45 M # data_comp_CST # 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 CST C1 C . 0.000 CST C2 C . 0.000 CST C3 C . 0.000 CST C4 C . 0.000 CST C5 C . 0.000 CST C6 C . 0.000 CST C7 C . 0.000 CST C8 C . 0.000 CST C9 C . 0.000 CST C10 C . 0.000 CST C11 C . 0.000 CST C12 C . 0.000 CST C13 C . 0.000 CST C14 C . 0.000 CST C15 C . 0.000 CST C16 C . 0.000 CST C17 C . 0.000 CST C18 C . 0.000 CST C19 C . 0.000 CST C20 C . 0.000 CST C21 C . 0.000 CST C22 C . 0.000 CST C23 C . 0.000 CST C24 C . 0.000 CST C25 C . 0.000 CST C26 C . 0.000 CST C27 C . 0.000 CST C28 C . 0.000 CST C29 C . 0.000 CST C30 C . 0.000 CST C31 C . 0.000 CST N1 N . 0.000 CST N2 N . 0.000 CST N3 N . 0.000 CST N4 N . 0.000 CST N5 N . 0.000 CST N6 N . 0.000 CST N7 N . 0.000 CST O1 O . 0.000 CST O2 O . 0.000 CST O3 O . 0.000 CST O4 O . 0.000 CST O5 O . 0.000 CST O6 O . 0.000 CST O9 O . 0.000 CST H1 H . 0.000 CST H2 H . 0.000 CST H3 H . 0.000 CST H5 H . 0.000 CST H6 H . 0.000 CST H71 H . 0.000 CST H72 H . 0.000 CST H8 H . 0.000 CST H11 H . 0.000 CST H121 H . 0.000 CST H122 H . 0.000 CST H13 H . 0.000 CST H141 H . 0.000 CST H142 H . 0.000 CST H143 H . 0.000 CST H151 H . 0.000 CST H152 H . 0.000 CST H153 H . 0.000 CST H17 H . 0.000 CST H18 H . 0.000 CST H191 H . 0.000 CST H192 H . 0.000 CST H201 H . 0.000 CST H202 H . 0.000 CST H23 H . 0.000 CST H251 H . 0.000 CST H252 H . 0.000 CST H27 H . 0.000 CST H28 H . 0.000 CST H29 H . 0.000 CST H30 H . 0.000 CST H31 H . 0.000 CST HN1 H . 0.000 CST HN2 H . 0.000 CST HN41 H . 0.000 CST HN42 H . 0.000 CST HN5 H . 0.000 CST HN6 H . 0.000 CST HN7 H . 0.000 CST HO6 H . 0.000 CST HO9 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 CST C1 C2 double CST C1 C6 single CST C1 H1 single CST C2 C3 single CST C2 H2 single CST C3 C4 double CST C3 H3 single CST C4 C5 single CST C4 C7 single CST C5 C6 double CST C5 H5 single CST C6 H6 single CST C7 C8 single CST C7 H71 single CST C7 H72 single CST C8 C9 single CST C8 N1 single CST C8 H8 single CST C9 O1 double CST C9 O9 single CST C10 C11 single CST C10 N1 single CST C10 O2 double CST C11 C12 single CST C11 N2 single CST C11 H11 single CST C12 C13 single CST C12 H121 single CST C12 H122 single CST C13 C14 single CST C13 C15 single CST C13 H13 single CST C14 H141 single CST C14 H142 single CST C14 H143 single CST C15 H151 single CST C15 H152 single CST C15 H153 single CST C16 C17 single CST C16 N2 single CST C16 O3 double CST C17 C18 single CST C17 N6 single CST C17 H17 single CST C18 C19 single CST C18 N3 single CST C18 H18 single CST C19 C20 single CST C19 H191 single CST C19 H192 single CST C20 N5 single CST C20 H201 single CST C20 H202 single CST C21 N3 double CST C21 N4 single CST C21 N5 single CST C22 N6 single CST C22 N7 single CST C22 O4 double CST C23 C24 single CST C23 C25 single CST C23 N7 single CST C23 H23 single CST C24 O5 double CST C24 O6 single CST C25 C26 single CST C25 H251 single CST C25 H252 single CST C26 C27 double CST C26 C31 single CST C27 C28 single CST C27 H27 single CST C28 C29 double CST C28 H28 single CST C29 C30 single CST C29 H29 single CST C30 C31 double CST C30 H30 single CST C31 H31 single CST N1 HN1 single CST N2 HN2 single CST N4 HN41 single CST N4 HN42 single CST N5 HN5 single CST N6 HN6 single CST N7 HN7 single CST O6 HO6 single CST O9 HO9 single