# 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 IPY IPY 'IMIDAZOLE-PYRROLE POLYAMIDE ' non-polymer 89 47 M # data_comp_IPY # 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 IPY C C . 0.000 IPY C1 C . 0.000 IPY C2 C . 0.000 IPY C3 C . 0.000 IPY C4 C . 0.000 IPY C5 C . 0.000 IPY C6 C . 0.000 IPY C8 C . 0.000 IPY C9 C . 0.000 IPY C10 C . 0.000 IPY C11 C . 0.000 IPY C12 C . 0.000 IPY C13 C . 0.000 IPY C14 C . 0.000 IPY C15 C . 0.000 IPY C16 C . 0.000 IPY C18 C . 0.000 IPY C19 C . 0.000 IPY C20 C . 0.000 IPY C21 C . 0.000 IPY C22 C . 0.000 IPY C23 C . 0.000 IPY C24 C . 0.000 IPY C25 C . 0.000 IPY C26 C . 0.000 IPY C27 C . 0.000 IPY C28 C . 0.000 IPY C29 C . 0.000 IPY C30 C . 0.000 IPY C31 C . 0.000 IPY C32 C . 0.000 IPY O1 O . 0.000 IPY O2 O . 0.000 IPY O3 O . 0.000 IPY O4 O . 0.000 IPY O5 O . 0.000 IPY N N . 0.000 IPY N1 N . 0.000 IPY N3 N . 0.000 IPY N4 N . 0.000 IPY N5 N . 0.000 IPY N6 N . 0.000 IPY N7 N . 1.000 IPY N8 N . 0.000 IPY N9 N . 0.000 IPY N10 N . 0.000 IPY N11 N . 0.000 IPY H1 H . 0.000 IPY H2 H . 0.000 IPY H31 H . 0.000 IPY H32 H . 0.000 IPY H33 H . 0.000 IPY H8 H . 0.000 IPY H91 H . 0.000 IPY H92 H . 0.000 IPY H93 H . 0.000 IPY H13 H . 0.000 IPY H14 H . 0.000 IPY H151 H . 0.000 IPY H152 H . 0.000 IPY H153 H . 0.000 IPY H181 H . 0.000 IPY H182 H . 0.000 IPY H191 H . 0.000 IPY H192 H . 0.000 IPY H201 H . 0.000 IPY H202 H . 0.000 IPY H211 H . 0.000 IPY H212 H . 0.000 IPY H213 H . 0.000 IPY H221 H . 0.000 IPY H222 H . 0.000 IPY H223 H . 0.000 IPY H26 H . 0.000 IPY H27 H . 0.000 IPY H281 H . 0.000 IPY H282 H . 0.000 IPY H283 H . 0.000 IPY H291 H . 0.000 IPY H292 H . 0.000 IPY H301 H . 0.000 IPY H302 H . 0.000 IPY H_32 H . 0.000 IPY HN1 H . 0.000 IPY HN4 H . 0.000 IPY HN6 H . 0.000 IPY HN7 H . 0.000 IPY HN8 H . 0.000 IPY H11 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 IPY C N8 single IPY C C2 double IPY C C32 single IPY C1 C10 double IPY C1 C6 single IPY C1 H1 single IPY C2 N single IPY C2 H2 single IPY C3 N single IPY C3 H31 single IPY C3 H32 single IPY C3 H33 single IPY C4 N single IPY C4 C32 double IPY C4 C5 single IPY C5 O1 double IPY C5 N1 single IPY C6 N1 single IPY C6 C8 double IPY C8 N3 single IPY C8 H8 single IPY C9 N3 single IPY C9 H91 single IPY C9 H92 single IPY C9 H93 single IPY C10 N3 single IPY C10 C11 single IPY C11 O2 double IPY C11 N4 single IPY C12 N4 single IPY C12 C13 single IPY C12 C14 double IPY C13 C16 double IPY C13 H13 single IPY C14 N5 single IPY C14 H14 single IPY C15 N5 single IPY C15 H151 single IPY C15 H152 single IPY C15 H153 single IPY C16 N5 single IPY C16 C23 single IPY C18 N6 single IPY C18 C19 single IPY C18 H181 single IPY C18 H182 single IPY C19 C20 single IPY C19 H191 single IPY C19 H192 single IPY C20 N7 single IPY C20 H201 single IPY C20 H202 single IPY C21 N7 single IPY C21 H211 single IPY C21 H212 single IPY C21 H213 single IPY C22 N7 single IPY C22 H221 single IPY C22 H222 single IPY C22 H223 single IPY C23 O3 double IPY C23 N11 single IPY C24 O4 double IPY C24 C25 single IPY C24 N8 single IPY C25 N9 single IPY C25 N10 double IPY C26 N10 single IPY C26 C27 double IPY C26 H26 single IPY C27 N9 single IPY C27 H27 single IPY C28 N9 single IPY C28 H281 single IPY C28 H282 single IPY C28 H283 single IPY C29 N11 single IPY C29 C30 single IPY C29 H291 single IPY C29 H292 single IPY C30 C31 single IPY C30 H301 single IPY C30 H302 single IPY C31 O5 double IPY C31 N6 single IPY C32 H_32 single IPY N1 HN1 single IPY N4 HN4 single IPY N6 HN6 single IPY N7 HN7 single IPY N8 HN8 single IPY N11 H11 single