# 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 W54 W54 '5-(5-(2,6-DICHLORO-4-(4,5-DIHYDRO-2-' non-polymer 45 25 M # data_comp_W54 # 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 W54 C31 C . 0.000 W54 C3 C . 0.000 W54 C4 C . 0.000 W54 C5 C . 0.000 W54 O1 O . 0.000 W54 N2 N . 0.000 W54 C1C C . 0.000 W54 C2C C . 0.000 W54 C3C C . 0.000 W54 C4C C . 0.000 W54 C5C C . 0.000 W54 O1B O . 0.000 W54 C1B C . 0.000 W54 C2B C . 0.000 W54 CL1 CL . 0.000 W54 C3B C . 0.000 W54 C4B C . 0.000 W54 C5B C . 0.000 W54 C6B C . 0.000 W54 CL2 CL . 0.000 W54 C2A C . 0.000 W54 N3A N . 0.000 W54 C4A C . 0.000 W54 C5A C . 0.000 W54 O1A O . 0.000 W54 H311 H . 0.000 W54 H312 H . 0.000 W54 H313 H . 0.000 W54 H4 H . 0.000 W54 H1C1 H . 0.000 W54 H1C2 H . 0.000 W54 H2C1 H . 0.000 W54 H2C2 H . 0.000 W54 H3C1 H . 0.000 W54 H3C2 H . 0.000 W54 H4C1 H . 0.000 W54 H4C2 H . 0.000 W54 H5C1 H . 0.000 W54 H5C2 H . 0.000 W54 H3B H . 0.000 W54 H5B H . 0.000 W54 H4A1 H . 0.000 W54 H4A2 H . 0.000 W54 H5A1 H . 0.000 W54 H5A2 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 W54 C31 C3 single W54 C31 H311 single W54 C31 H312 single W54 C31 H313 single W54 C3 C4 single W54 C3 N2 double W54 C4 C5 double W54 C4 H4 single W54 C5 O1 single W54 C5 C1C single W54 O1 N2 single W54 C1C C2C single W54 C1C H1C1 single W54 C1C H1C2 single W54 C2C C3C single W54 C2C H2C1 single W54 C2C H2C2 single W54 C3C C4C single W54 C3C H3C1 single W54 C3C H3C2 single W54 C4C C5C single W54 C4C H4C1 single W54 C4C H4C2 single W54 C5C O1B single W54 C5C H5C1 single W54 C5C H5C2 single W54 O1B C1B single W54 C1B C2B double W54 C1B C6B single W54 C2B CL1 single W54 C2B C3B single W54 C3B C4B double W54 C3B H3B single W54 C4B C2A single W54 C4B C5B single W54 C5B C6B double W54 C5B H5B single W54 C6B CL2 single W54 C2A O1A single W54 C2A N3A double W54 N3A C4A single W54 C4A C5A single W54 C4A H4A1 single W54 C4A H4A2 single W54 C5A O1A single W54 C5A H5A1 single W54 C5A H5A2 single