# 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 450 450 '{[4-R(-4-ALPHA,5-ALPHA,6-BETA,7-BETA' non-polymer 78 40 M # data_comp_450 # 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 450 C1 C . 0.000 450 O1 O . 0.000 450 N2 N . 0.000 450 C2 C . 0.000 450 C3 C . 0.000 450 C4 C . 0.000 450 O4 O . 0.000 450 C5 C . 0.000 450 O5 O . 0.000 450 C6 C . 0.000 450 N7 N . 0.000 450 C7 C . 0.000 450 C20 C . 0.000 450 C21 C . 0.000 450 C22 C . 0.000 450 C23 C . 0.000 450 C28 C . 0.000 450 N29 N . 0.000 450 C29 C . 0.000 450 C31 C . 0.000 450 C32 C . 0.000 450 C33 C . 0.000 450 C34 C . 0.000 450 C35 C . 0.000 450 C36 C . 0.000 450 C37 C . 0.000 450 C61 C . 0.000 450 C62 C . 0.000 450 C63 C . 0.000 450 C64 C . 0.000 450 C65 C . 0.000 450 C66 C . 0.000 450 C67 C . 0.000 450 C70 C . 0.000 450 C71 C . 0.000 450 C72 C . 0.000 450 N79 N . 0.000 450 C77 C . 0.000 450 C78 C . 0.000 450 C79 C . 0.000 450 H1 H . 0.000 450 HO1 H . 0.000 450 H21 H . 0.000 450 H22 H . 0.000 450 H3 H . 0.000 450 H4 H . 0.000 450 HO4 H . 0.000 450 H5 H . 0.000 450 HO5 H . 0.000 450 H6 H . 0.000 450 H71 H . 0.000 450 H72 H . 0.000 450 H_21 H . 0.000 450 H_22 H . 0.000 450 H23 H . 0.000 450 HN21 H . 0.000 450 HN22 H . 0.000 450 H29 H . 0.000 450 H311 H . 0.000 450 H312 H . 0.000 450 H33 H . 0.000 450 H34 H . 0.000 450 H35 H . 0.000 450 H36 H . 0.000 450 H37 H . 0.000 450 H611 H . 0.000 450 H612 H . 0.000 450 H63 H . 0.000 450 H64 H . 0.000 450 H65 H . 0.000 450 H66 H . 0.000 450 H67 H . 0.000 450 H_71 H . 0.000 450 HN71 H . 0.000 450 HN72 H . 0.000 450 H77 H . 0.000 450 H78 H . 0.000 450 H79 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 450 C1 N2 single 450 C1 N7 single 450 C1 O1 single 450 C1 H1 single 450 O1 HO1 single 450 N2 C2 single 450 N2 C3 single 450 C2 C20 single 450 C2 H21 single 450 C2 H22 single 450 C3 C4 single 450 C3 C31 single 450 C3 H3 single 450 C4 C5 single 450 C4 O4 single 450 C4 H4 single 450 O4 HO4 single 450 C5 C6 single 450 C5 O5 single 450 C5 H5 single 450 O5 HO5 single 450 C6 N7 single 450 C6 C61 single 450 C6 H6 single 450 N7 C7 single 450 C7 C70 single 450 C7 H71 single 450 C7 H72 single 450 C20 C21 double 450 C20 C29 single 450 C21 C22 single 450 C21 H_21 single 450 C22 C23 double 450 C22 H_22 single 450 C23 C28 single 450 C23 H23 single 450 C28 C29 double 450 C28 N29 single 450 N29 HN21 single 450 N29 HN22 single 450 C29 H29 single 450 C31 C32 single 450 C31 H311 single 450 C31 H312 single 450 C32 C33 double 450 C32 C37 single 450 C33 C34 single 450 C33 H33 single 450 C34 C35 double 450 C34 H34 single 450 C35 C36 single 450 C35 H35 single 450 C36 C37 double 450 C36 H36 single 450 C37 H37 single 450 C61 C62 single 450 C61 H611 single 450 C61 H612 single 450 C62 C63 double 450 C62 C67 single 450 C63 C64 single 450 C63 H63 single 450 C64 C65 double 450 C64 H64 single 450 C65 C66 single 450 C65 H65 single 450 C66 C67 double 450 C66 H66 single 450 C67 H67 single 450 C70 C71 double 450 C70 C79 single 450 C71 C72 single 450 C71 H_71 single 450 C72 C77 double 450 C72 N79 single 450 N79 HN71 single 450 N79 HN72 single 450 C77 C78 single 450 C77 H77 single 450 C78 C79 double 450 C78 H78 single 450 C79 H79 single