# 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 W84 W84 '5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PH' non-polymer 54 26 M # data_comp_W84 # 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 W84 O1 O . 0.000 W84 N2 N . 0.000 W84 C3 C . 0.000 W84 C31 C . 0.000 W84 C4 C . 0.000 W84 C5 C . 0.000 W84 C1C C . 0.000 W84 C2C C . 0.000 W84 C3C C . 0.000 W84 C4C C . 0.000 W84 C5C C . 0.000 W84 C6C C . 0.000 W84 C7C C . 0.000 W84 O1B O . 0.000 W84 C1B C . 0.000 W84 C2B C . 0.000 W84 C3B C . 0.000 W84 C4B C . 0.000 W84 C5B C . 0.000 W84 C6B C . 0.000 W84 C2A C . 0.000 W84 N3A N . 0.000 W84 C4A C . 0.000 W84 CM1 C . 0.000 W84 C5A C . 0.000 W84 O1A O . 0.000 W84 H4 H . 0.000 W84 H311 H . 0.000 W84 H312 H . 0.000 W84 H313 H . 0.000 W84 H1C1 H . 0.000 W84 H1C2 H . 0.000 W84 H2C1 H . 0.000 W84 H2C2 H . 0.000 W84 H3C1 H . 0.000 W84 H3C2 H . 0.000 W84 H4C1 H . 0.000 W84 H4C2 H . 0.000 W84 H5C1 H . 0.000 W84 H5C2 H . 0.000 W84 H6C1 H . 0.000 W84 H6C2 H . 0.000 W84 H7C1 H . 0.000 W84 H7C2 H . 0.000 W84 H2B H . 0.000 W84 H3B H . 0.000 W84 H5B H . 0.000 W84 H6B H . 0.000 W84 H4A H . 0.000 W84 H5A1 H . 0.000 W84 H5A2 H . 0.000 W84 HM11 H . 0.000 W84 HM12 H . 0.000 W84 HM13 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 W84 O1 N2 single W84 O1 C5 single W84 N2 C3 double W84 C3 C31 single W84 C3 C4 single W84 C31 H311 single W84 C31 H312 single W84 C31 H313 single W84 C4 C5 double W84 C4 H4 single W84 C5 C1C single W84 C1C C2C single W84 C1C H1C1 single W84 C1C H1C2 single W84 C2C C3C single W84 C2C H2C1 single W84 C2C H2C2 single W84 C3C C4C single W84 C3C H3C1 single W84 C3C H3C2 single W84 C4C C5C single W84 C4C H4C1 single W84 C4C H4C2 single W84 C5C C6C single W84 C5C H5C1 single W84 C5C H5C2 single W84 C6C C7C single W84 C6C H6C1 single W84 C6C H6C2 single W84 C7C O1B single W84 C7C H7C1 single W84 C7C H7C2 single W84 O1B C1B single W84 C1B C2B double W84 C1B C6B single W84 C2B C3B single W84 C2B H2B single W84 C3B C4B double W84 C3B H3B single W84 C4B C5B single W84 C4B C2A single W84 C5B C6B double W84 C5B H5B single W84 C6B H6B single W84 C2A N3A double W84 C2A O1A single W84 N3A C4A single W84 C4A CM1 single W84 C4A C5A single W84 C4A H4A single W84 CM1 HM11 single W84 CM1 HM12 single W84 CM1 HM13 single W84 C5A O1A single W84 C5A H5A1 single W84 C5A H5A2 single