# 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 NIU NIU '6,7,8,9-TETRAHYDRO-4-HYDROXY-3-(1-PH' non-polymer 44 22 M # data_comp_NIU # 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 NIU CA C . 0.000 NIU CA2 C . 0.000 NIU OA2 O . 0.000 NIU OA3 O . 0.000 NIU CA4 C . 0.000 NIU CA5 C . 0.000 NIU CA6 C . 0.000 NIU OA6 O . 0.000 NIU CB1 C . 0.000 NIU CB2 C . 0.000 NIU CB3 C . 0.000 NIU CB4 C . 0.000 NIU CB5 C . 0.000 NIU CB6 C . 0.000 NIU CG1 C . 0.000 NIU CG2 C . 0.000 NIU CG3 C . 0.000 NIU CD1 C . 0.000 NIU CD2 C . 0.000 NIU CD3 C . 0.000 NIU CD4 C . 0.000 NIU CD5 C . 0.000 NIU HO6 H . 0.000 NIU HB2 H . 0.000 NIU HB3 H . 0.000 NIU HB4 H . 0.000 NIU HB5 H . 0.000 NIU HB6 H . 0.000 NIU HG1 H . 0.000 NIU HG21 H . 0.000 NIU HG22 H . 0.000 NIU HG31 H . 0.000 NIU HG32 H . 0.000 NIU HG33 H . 0.000 NIU HD11 H . 0.000 NIU HD12 H . 0.000 NIU HD21 H . 0.000 NIU HD22 H . 0.000 NIU HD31 H . 0.000 NIU HD32 H . 0.000 NIU HD41 H . 0.000 NIU HD42 H . 0.000 NIU HD51 H . 0.000 NIU HD52 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 NIU CA CA2 single NIU CA CA6 double NIU CA CG1 single NIU CA2 OA2 double NIU CA2 OA3 single NIU OA3 CA4 single NIU CA4 CA5 double NIU CA4 CD1 single NIU CA5 CA6 single NIU CA5 CD5 single NIU CA6 OA6 single NIU OA6 HO6 single NIU CB1 CB2 double NIU CB1 CB6 single NIU CB1 CG1 single NIU CB2 CB3 single NIU CB2 HB2 single NIU CB3 CB4 double NIU CB3 HB3 single NIU CB4 CB5 single NIU CB4 HB4 single NIU CB5 CB6 double NIU CB5 HB5 single NIU CB6 HB6 single NIU CG1 CG2 single NIU CG1 HG1 single NIU CG2 CG3 single NIU CG2 HG21 single NIU CG2 HG22 single NIU CG3 HG31 single NIU CG3 HG32 single NIU CG3 HG33 single NIU CD1 CD2 single NIU CD1 HD11 single NIU CD1 HD12 single NIU CD2 CD3 single NIU CD2 HD21 single NIU CD2 HD22 single NIU CD3 CD4 single NIU CD3 HD31 single NIU CD3 HD32 single NIU CD4 CD5 single NIU CD4 HD41 single NIU CD4 HD42 single NIU CD5 HD51 single NIU CD5 HD52 single