REMARK 3 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_6 REMARK 2 A between atoms: C_2 and C_4 REMARK 3 A between atoms: C_3 and C_5 ROOT HETATM 1 C UNL 1 -1.181 0.119 0.000 1.00 0.00 -0.016 A HETATM 2 C UNL 1 1.197 0.120 -0.002 1.00 0.00 -0.016 A HETATM 3 C UNL 1 -0.005 -0.589 -0.000 1.00 0.00 0.079 A HETATM 4 C UNL 1 -1.232 1.492 -0.001 1.00 0.00 0.017 A HETATM 5 C UNL 1 1.184 1.515 -0.003 1.00 0.00 0.017 A HETATM 6 C UNL 1 -0.030 2.201 -0.002 1.00 0.00 -0.061 A HETATM 7 C UNL 1 -0.044 3.692 -0.003 1.00 0.00 0.048 C ENDROOT BRANCH 1 8 HETATM 8 C UNL 1 -2.516 -0.643 0.001 1.00 0.00 -0.021 C HETATM 9 C UNL 1 -3.688 0.362 0.001 1.00 0.00 0.019 C HETATM 10 C UNL 1 -2.607 -1.530 1.262 1.00 0.00 0.019 C HETATM 11 C UNL 1 -2.708 -1.569 -1.222 1.00 0.00 0.019 C ENDBRANCH 1 8 BRANCH 3 12 HETATM 12 O UNL 1 0.008 -1.953 -0.001 1.00 0.00 -0.360 OA HETATM 13 H UNL 1 0.364 -2.224 -0.865 1.00 0.00 0.217 HD ENDBRANCH 3 12 BRANCH 2 14 HETATM 14 C UNL 1 2.507 -0.597 -0.003 1.00 0.00 -0.021 C HETATM 15 C UNL 1 2.507 -1.992 0.704 1.00 0.00 0.019 C HETATM 16 C UNL 1 3.002 -0.866 -1.457 1.00 0.00 0.019 C HETATM 17 C UNL 1 3.606 0.238 0.723 1.00 0.00 0.019 C ENDBRANCH 2 14 TORSDOF 3