# 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 BIN BIN '2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-' non-polymer 49 28 M # data_comp_BIN # 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 BIN C1 C . 0.000 BIN C2 C . 0.000 BIN C3 C . 0.000 BIN C4 C . 0.000 BIN C5 C . 0.000 BIN C6 C . 0.000 BIN C7 C . 0.000 BIN C8 C . 0.000 BIN C9 C . 0.000 BIN C11 C . 0.000 BIN C12 C . 0.000 BIN C13 C . 0.000 BIN C14 C . 0.000 BIN C15 C . 0.000 BIN C16 C . 0.000 BIN C17 C . 0.000 BIN C18 C . 0.000 BIN C19 C . 0.000 BIN C20 C . 0.000 BIN C21 C . 0.000 BIN N10 N . 1.000 BIN O3A O . 0.000 BIN O3B O . 0.000 BIN O4A O . 0.000 BIN O4B O . 0.000 BIN O8A O . 0.000 BIN O8 O . 0.000 BIN CL2 CL . 0.000 BIN H3 H . 0.000 BIN H4 H . 0.000 BIN H5 H . 0.000 BIN H6 H . 0.000 BIN H151 H . 0.000 BIN H152 H . 0.000 BIN H153 H . 0.000 BIN H161 H . 0.000 BIN H162 H . 0.000 BIN H163 H . 0.000 BIN H171 H . 0.000 BIN H172 H . 0.000 BIN H19 H . 0.000 BIN H201 H . 0.000 BIN H202 H . 0.000 BIN H203 H . 0.000 BIN H211 H . 0.000 BIN H212 H . 0.000 BIN H213 H . 0.000 BIN HOB3 H . 0.000 BIN HOB4 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 BIN C1 C2 double BIN C1 C6 single BIN C1 C7 single BIN C2 C3 single BIN C2 CL2 single BIN C3 C4 double BIN C3 H3 single BIN C4 C5 single BIN C4 H4 single BIN C5 C6 double BIN C5 H5 single BIN C6 H6 single BIN C7 C8 double BIN C7 C12 single BIN C8 C11 single BIN C8 C18 single BIN C9 C12 double BIN C9 N10 single BIN C9 C14 single BIN C11 N10 double BIN C11 C15 single BIN C12 C13 single BIN C13 O3A double BIN C13 O3B single BIN C14 O4A double BIN C14 O4B single BIN C15 H151 single BIN C15 H152 single BIN C15 H153 single BIN C16 C17 single BIN C16 H161 single BIN C16 H162 single BIN C16 H163 single BIN C17 N10 single BIN C17 H171 single BIN C17 H172 single BIN C18 O8A double BIN C18 O8 single BIN C19 O8 single BIN C19 C20 single BIN C19 C21 single BIN C19 H19 single BIN C20 H201 single BIN C20 H202 single BIN C20 H203 single BIN C21 H211 single BIN C21 H212 single BIN C21 H213 single BIN O3B HOB3 single BIN O4B HOB4 single