# 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 4AB 4AB '2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-' non-polymer 33 17 M # data_comp_4AB # 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 4AB N1 N . 0.000 4AB C2 C . 0.000 4AB N2 N . 0.000 4AB N3 N . 0.000 4AB C4 C . 0.000 4AB NH4 N . 0.000 4AB C4A C . 0.000 4AB C8A C . 0.000 4AB N5 N . 0.000 4AB N8 N . 0.000 4AB C6 C . 0.000 4AB C7 C . 0.000 4AB C9 C . 0.000 4AB O9 O . 0.000 4AB C10 C . 0.000 4AB C11 C . 0.000 4AB O10 O . 0.000 4AB H5 H . 0.000 4AB H6 H . 0.000 4AB H71 H . 0.000 4AB H72 H . 0.000 4AB H8 H . 0.000 4AB H9 H . 0.000 4AB H9O1 H . 0.000 4AB H10 H . 0.000 4AB H1O1 H . 0.000 4AB H113 H . 0.000 4AB H112 H . 0.000 4AB H111 H . 0.000 4AB H22 H . 0.000 4AB H21 H . 0.000 4AB HH41 H . 0.000 4AB HH42 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 4AB N1 C2 double 4AB N1 C8A single 4AB C2 N2 single 4AB C2 N3 single 4AB N2 H22 single 4AB N2 H21 single 4AB N3 C4 double 4AB C4 NH4 single 4AB C4 C4A single 4AB NH4 HH41 single 4AB NH4 HH42 single 4AB C4A C8A double 4AB C4A N5 single 4AB C8A N8 single 4AB N5 C6 single 4AB N5 H5 single 4AB N8 C7 single 4AB N8 H8 single 4AB C6 C7 single 4AB C6 C9 single 4AB C6 H6 single 4AB C7 H71 single 4AB C7 H72 single 4AB C9 O9 single 4AB C9 C10 single 4AB C9 H9 single 4AB O9 H9O1 single 4AB C10 C11 single 4AB C10 O10 single 4AB C10 H10 single 4AB C11 H113 single 4AB C11 H112 single 4AB C11 H111 single 4AB O10 H1O1 single