# 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 COE COE 'FURO[2,3D]PYRIMIDINE ANTIFOLATE ' non-polymer 54 32 M # data_comp_COE # 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 COE N1 N . 0.000 COE C2 C . 0.000 COE NA2 N . 0.000 COE N3 N . 0.000 COE C4 C . 0.000 COE N4 N . 0.000 COE C4A C . 0.000 COE C6 C . 0.000 COE C7 C . 0.000 COE O8 O . 0.000 COE C8A C . 0.000 COE C9 C . 0.000 COE N10 N . 0.000 COE C10 C . 0.000 COE C11 C . 0.000 COE C12 C . 0.000 COE C13 C . 0.000 COE C14 C . 0.000 COE C15 C . 0.000 COE C16 C . 0.000 COE C C . 0.000 COE O O . 0.000 COE N N . 0.000 COE CA C . 0.000 COE CB C . 0.000 COE CG C . 0.000 COE CD C . 0.000 COE OE1 O . 0.000 COE OE2 O . 0.000 COE CT C . 0.000 COE O1 O . 0.000 COE O2 O . 0.000 COE HN21 H . 0.000 COE HN22 H . 0.000 COE HN41 H . 0.000 COE HN42 H . 0.000 COE H7 H . 0.000 COE H91 H . 0.000 COE H92 H . 0.000 COE H101 H . 0.000 COE H102 H . 0.000 COE H103 H . 0.000 COE H12 H . 0.000 COE H13 H . 0.000 COE H15 H . 0.000 COE H16 H . 0.000 COE HN H . 0.000 COE HA H . 0.000 COE HB1 H . 0.000 COE HB2 H . 0.000 COE HG1 H . 0.000 COE HG2 H . 0.000 COE HOE2 H . 0.000 COE HO2 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 COE N1 C2 double COE N1 C8A single COE C2 NA2 single COE C2 N3 single COE NA2 HN21 single COE NA2 HN22 single COE N3 C4 double COE C4 N4 single COE C4 C4A single COE N4 HN41 single COE N4 HN42 single COE C4A C6 single COE C4A C8A double COE C6 C7 double COE C6 C9 single COE C7 O8 single COE C7 H7 single COE O8 C8A single COE C9 N10 single COE C9 H91 single COE C9 H92 single COE N10 C14 single COE N10 C10 single COE C10 H101 single COE C10 H102 single COE C10 H103 single COE C11 C12 double COE C11 C16 single COE C11 C single COE C12 C13 single COE C12 H12 single COE C13 C14 double COE C13 H13 single COE C14 C15 single COE C15 C16 double COE C15 H15 single COE C16 H16 single COE C O double COE C N single COE N CA single COE N HN single COE CA CB single COE CA CT single COE CA HA single COE CB CG single COE CB HB1 single COE CB HB2 single COE CG CD single COE CG HG1 single COE CG HG2 single COE CD OE1 double COE CD OE2 single COE OE2 HOE2 single COE CT O1 double COE CT O2 single COE O2 HO2 single