# 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 HP1 HP1 'IMIDAZOLE-PYRROLE-HYDROXYPYRROLE POL' non-polymer 88 48 M # data_comp_HP1 # 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 HP1 C C . 0.000 HP1 C1 C . 0.000 HP1 C2 C . 0.000 HP1 C3 C . 0.000 HP1 C4 C . 0.000 HP1 C5 C . 0.000 HP1 C6 C . 0.000 HP1 C8 C . 0.000 HP1 C9 C . 0.000 HP1 C10 C . 0.000 HP1 C11 C . 0.000 HP1 C12 C . 0.000 HP1 C13 C . 0.000 HP1 C14 C . 0.000 HP1 C15 C . 0.000 HP1 C16 C . 0.000 HP1 C18 C . 0.000 HP1 C19 C . 0.000 HP1 C20 C . 0.000 HP1 C21 C . 0.000 HP1 C22 C . 0.000 HP1 C23 C . 0.000 HP1 C24 C . 0.000 HP1 C25 C . 0.000 HP1 C26 C . 0.000 HP1 C27 C . 0.000 HP1 C28 C . 0.000 HP1 C29 C . 0.000 HP1 C30 C . 0.000 HP1 C31 C . 0.000 HP1 C32 C . 0.000 HP1 O1 O . 0.000 HP1 O2 O . 0.000 HP1 O3 O . 0.000 HP1 O4 O . 0.000 HP1 O5 O . 0.000 HP1 O6 O . 0.000 HP1 N N . 1.000 HP1 N1 N . 0.000 HP1 N3 N . 0.000 HP1 N4 N . 0.000 HP1 N5 N . 0.000 HP1 N6 N . 0.000 HP1 N7 N . 0.000 HP1 N8 N . 0.000 HP1 N9 N . 0.000 HP1 N10 N . 0.000 HP1 N11 N . 0.000 HP1 H1 H . 0.000 HP1 H2 H . 0.000 HP1 H31 H . 0.000 HP1 H32 H . 0.000 HP1 H33 H . 0.000 HP1 H8 H . 0.000 HP1 H91 H . 0.000 HP1 H92 H . 0.000 HP1 H93 H . 0.000 HP1 H13 H . 0.000 HP1 H14 H . 0.000 HP1 H151 H . 0.000 HP1 H152 H . 0.000 HP1 H153 H . 0.000 HP1 H181 H . 0.000 HP1 H182 H . 0.000 HP1 H191 H . 0.000 HP1 H192 H . 0.000 HP1 H201 H . 0.000 HP1 H202 H . 0.000 HP1 H211 H . 0.000 HP1 H212 H . 0.000 HP1 H213 H . 0.000 HP1 H221 H . 0.000 HP1 H222 H . 0.000 HP1 H223 H . 0.000 HP1 H26 H . 0.000 HP1 H27 H . 0.000 HP1 H281 H . 0.000 HP1 H282 H . 0.000 HP1 H283 H . 0.000 HP1 H291 H . 0.000 HP1 H292 H . 0.000 HP1 H301 H . 0.000 HP1 H302 H . 0.000 HP1 HN1 H . 0.000 HP1 HN4 H . 0.000 HP1 HN6 H . 0.000 HP1 HN8 H . 0.000 HP1 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 HP1 C N8 single HP1 C C2 double HP1 C C32 single HP1 C1 C10 double HP1 C1 C6 single HP1 C1 H1 single HP1 C2 N single HP1 C2 H2 single HP1 C3 N single HP1 C3 H31 single HP1 C3 H32 single HP1 C3 H33 single HP1 C4 N double HP1 C4 C32 single HP1 C4 C5 single HP1 C5 O1 double HP1 C5 N1 single HP1 C6 N1 single HP1 C6 C8 double HP1 C8 N3 single HP1 C8 H8 single HP1 C9 N3 single HP1 C9 H91 single HP1 C9 H92 single HP1 C9 H93 single HP1 C10 N3 single HP1 C10 C11 single HP1 C11 O2 double HP1 C11 N4 single HP1 C12 N4 single HP1 C12 C13 single HP1 C12 C14 double HP1 C13 C16 double HP1 C13 H13 single HP1 C14 N5 single HP1 C14 H14 single HP1 C15 N5 single HP1 C15 H151 single HP1 C15 H152 single HP1 C15 H153 single HP1 C16 N5 single HP1 C16 C23 single HP1 C18 N6 single HP1 C18 C19 single HP1 C18 H181 single HP1 C18 H182 single HP1 C19 C20 single HP1 C19 H191 single HP1 C19 H192 single HP1 C20 N7 single HP1 C20 H201 single HP1 C20 H202 single HP1 C21 N7 single HP1 C21 H211 single HP1 C21 H212 single HP1 C21 H213 single HP1 C22 N7 single HP1 C22 H221 single HP1 C22 H222 single HP1 C22 H223 single HP1 C23 O3 double HP1 C23 N11 single HP1 C24 O4 double HP1 C24 C25 single HP1 C24 N8 single HP1 C25 N9 single HP1 C25 N10 double HP1 C26 N10 single HP1 C26 C27 double HP1 C26 H26 single HP1 C27 N9 single HP1 C27 H27 single HP1 C28 N9 single HP1 C28 H281 single HP1 C28 H282 single HP1 C28 H283 single HP1 C29 N11 single HP1 C29 C30 single HP1 C29 H291 single HP1 C29 H292 single HP1 C30 C31 single HP1 C30 H301 single HP1 C30 H302 single HP1 C31 O5 double HP1 C31 N6 single HP1 C32 O6 double HP1 N1 HN1 single HP1 N4 HN4 single HP1 N6 HN6 single HP1 N8 HN8 single HP1 N11 H11 single