# 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 IIC IIC '4-IMIDAZOLMETHYLENE-5-IMIDAZOLONE CH' non-polymer 36 19 M # data_comp_IIC # 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 IIC C1 C . 0.000 IIC N2 N . 0.000 IIC CA2 C . 0.000 IIC C2 C . 0.000 IIC O2 O . 0.000 IIC N3 N . 0.000 IIC CA1 C . 0.000 IIC N1 N . 0.000 IIC CB1 C . 0.000 IIC OG1 O . 0.000 IIC CA3 C . 0.000 IIC C3 C . 0.000 IIC O3 O . 0.000 IIC CB2 C . 0.000 IIC CG2 C . 0.000 IIC ND1 N . 0.000 IIC CE1 C . 0.000 IIC NE2 N . 0.000 IIC CD2 C . 0.000 IIC H1 H . 0.000 IIC HA1 H . 0.000 IIC HN11 H . 0.000 IIC HN12 H . 0.000 IIC HB11 H . 0.000 IIC HB12 H . 0.000 IIC HOG H . 0.000 IIC HA31 H . 0.000 IIC HA32 H . 0.000 IIC H31 H . 0.000 IIC H32 H . 0.000 IIC HO3 H . 0.000 IIC HB21 H . 0.000 IIC HB22 H . 0.000 IIC HND H . 0.000 IIC HE1 H . 0.000 IIC HD2 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 IIC C1 N2 single IIC C1 N3 single IIC C1 CA1 single IIC C1 H1 single IIC N2 CA2 double IIC CA2 CB2 single IIC CA2 C2 single IIC C2 N3 single IIC C2 O2 double IIC N3 CA3 single IIC CA1 N1 single IIC CA1 CB1 single IIC CA1 HA1 single IIC N1 HN11 single IIC N1 HN12 single IIC CB1 OG1 single IIC CB1 HB11 single IIC CB1 HB12 single IIC OG1 HOG single IIC CA3 C3 single IIC CA3 HA31 single IIC CA3 HA32 single IIC C3 O3 single IIC C3 H31 single IIC C3 H32 single IIC O3 HO3 single IIC CB2 CG2 single IIC CB2 HB21 single IIC CB2 HB22 single IIC CG2 ND1 single IIC CG2 CD2 double IIC ND1 CE1 single IIC ND1 HND single IIC CE1 NE2 double IIC CE1 HE1 single IIC NE2 CD2 single IIC CD2 HD2 single