REMARK 0 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) ROOT HETATM 1 O UNL 1 0.708 0.000 0.000 1.00 0.00 -0.406 OA HETATM 2 C UNL 1 -0.708 0.000 0.000 1.00 0.00 0.197 C HETATM 3 H UNL 1 0.994 -0.880 -0.298 1.00 0.00 0.208 HD ENDROOT TORSDOF 0