# 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 PQN PQN 'PHYLLOQUINONE ' non-polymer 79 33 M # data_comp_PQN # 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 PQN C1 C . 0.000 PQN O1 O . 0.000 PQN C2 C . 0.000 PQN C2M C . 0.000 PQN C3 C . 0.000 PQN C4 C . 0.000 PQN O4 O . 0.000 PQN C5 C . 0.000 PQN C6 C . 0.000 PQN C7 C . 0.000 PQN C8 C . 0.000 PQN C9 C . 0.000 PQN C10 C . 0.000 PQN C11 C . 0.000 PQN C12 C . 0.000 PQN C13 C . 0.000 PQN C14 C . 0.000 PQN C15 C . 0.000 PQN C16 C . 0.000 PQN C17 C . 0.000 PQN C18 C . 0.000 PQN C19 C . 0.000 PQN C20 C . 0.000 PQN C21 C . 0.000 PQN C22 C . 0.000 PQN C23 C . 0.000 PQN C24 C . 0.000 PQN C25 C . 0.000 PQN C26 C . 0.000 PQN C27 C . 0.000 PQN C28 C . 0.000 PQN C29 C . 0.000 PQN C30 C . 0.000 PQN H2M1 H . 0.000 PQN H2M2 H . 0.000 PQN H2M3 H . 0.000 PQN H6 H . 0.000 PQN H7 H . 0.000 PQN H8 H . 0.000 PQN H9 H . 0.000 PQN H111 H . 0.000 PQN H112 H . 0.000 PQN H12 H . 0.000 PQN H141 H . 0.000 PQN H142 H . 0.000 PQN H143 H . 0.000 PQN H151 H . 0.000 PQN H152 H . 0.000 PQN H161 H . 0.000 PQN H162 H . 0.000 PQN H171 H . 0.000 PQN H172 H . 0.000 PQN H18 H . 0.000 PQN H191 H . 0.000 PQN H192 H . 0.000 PQN H193 H . 0.000 PQN H201 H . 0.000 PQN H202 H . 0.000 PQN H211 H . 0.000 PQN H212 H . 0.000 PQN H221 H . 0.000 PQN H222 H . 0.000 PQN H23 H . 0.000 PQN H241 H . 0.000 PQN H242 H . 0.000 PQN H243 H . 0.000 PQN H251 H . 0.000 PQN H252 H . 0.000 PQN H261 H . 0.000 PQN H262 H . 0.000 PQN H271 H . 0.000 PQN H272 H . 0.000 PQN H28 H . 0.000 PQN H291 H . 0.000 PQN H292 H . 0.000 PQN H293 H . 0.000 PQN H301 H . 0.000 PQN H302 H . 0.000 PQN H303 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 PQN C1 O1 double PQN C1 C2 single PQN C1 C10 single PQN C2 C2M single PQN C2 C3 double PQN C2M H2M1 single PQN C2M H2M2 single PQN C2M H2M3 single PQN C3 C4 single PQN C3 C11 single PQN C4 O4 double PQN C4 C5 single PQN C5 C6 double PQN C5 C10 single PQN C6 C7 single PQN C6 H6 single PQN C7 C8 double PQN C7 H7 single PQN C8 C9 single PQN C8 H8 single PQN C9 C10 double PQN C9 H9 single PQN C11 C12 single PQN C11 H111 single PQN C11 H112 single PQN C12 C13 double PQN C12 H12 single PQN C13 C14 single PQN C13 C15 single PQN C14 H141 single PQN C14 H142 single PQN C14 H143 single PQN C15 C16 single PQN C15 H151 single PQN C15 H152 single PQN C16 C17 single PQN C16 H161 single PQN C16 H162 single PQN C17 C18 single PQN C17 H171 single PQN C17 H172 single PQN C18 C19 single PQN C18 C20 single PQN C18 H18 single PQN C19 H191 single PQN C19 H192 single PQN C19 H193 single PQN C20 C21 single PQN C20 H201 single PQN C20 H202 single PQN C21 C22 single PQN C21 H211 single PQN C21 H212 single PQN C22 C23 single PQN C22 H221 single PQN C22 H222 single PQN C23 C24 single PQN C23 C25 single PQN C23 H23 single PQN C24 H241 single PQN C24 H242 single PQN C24 H243 single PQN C25 C26 single PQN C25 H251 single PQN C25 H252 single PQN C26 C27 single PQN C26 H261 single PQN C26 H262 single PQN C27 C28 single PQN C27 H271 single PQN C27 H272 single PQN C28 C29 single PQN C28 C30 single PQN C28 H28 single PQN C29 H291 single PQN C29 H292 single PQN C29 H293 single PQN C30 H301 single PQN C30 H302 single PQN C30 H303 single