REMARK VINA RESULT: -3.2 0.254 1.263 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 -1.942 -16.293 5.260 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -1.726 -17.731 5.685 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -0.851 -18.567 4.976 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -0.692 -19.909 5.339 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -1.418 -20.418 6.410 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -2.280 -19.606 7.132 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -2.434 -18.264 6.775 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -1.312 -21.723 6.787 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -1.565 -21.797 7.723 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -3.213 -16.090 4.464 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -3.203 -16.188 3.063 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -4.352 -15.908 2.319 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -5.521 -15.542 2.975 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -5.567 -15.479 4.362 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -4.414 -15.746 5.105 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -6.657 -15.233 2.283 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -7.118 -16.061 2.072 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4