# 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 HII HII '2-METHYL-3-(2-AMINOTHIAZOLO)PROPANAL' non-polymer 21 11 M # data_comp_HII # 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 HII C C . 0.000 HII O O . 0.000 HII CA C . 0.000 HII CN C . 0.000 HII CB C . 0.000 HII CG C . 0.000 HII CD2 C . 0.000 HII SE2 S . 0.000 HII CE1 C . 0.000 HII ND1 N . 0.000 HII NZ N . 0.000 HII H H . 0.000 HII HA H . 0.000 HII HN1 H . 0.000 HII HN2 H . 0.000 HII HN3 H . 0.000 HII HB1 H . 0.000 HII HB2 H . 0.000 HII HD2 H . 0.000 HII HNZ1 H . 0.000 HII HNZ2 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 HII C CA single HII C O double HII C H single HII CA CB single HII CA CN single HII CA HA single HII CN HN1 single HII CN HN2 single HII CN HN3 single HII CB CG single HII CB HB1 single HII CB HB2 single HII CG CD2 double HII CG ND1 single HII CD2 SE2 single HII CD2 HD2 single HII SE2 CE1 single HII CE1 ND1 double HII CE1 NZ single HII NZ HNZ1 single HII NZ HNZ2 single