REMARK VINA RESULT: -4.6 1.727 6.165 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 12.458 4.214 -9.008 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 12.613 2.725 -8.772 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 11.766 2.046 -7.882 0.00 0.00 0.010 A ATOM 4 C UNL d 1 11.943 0.682 -7.626 0.00 0.00 0.037 A ATOM 5 C UNL d 1 12.976 -0.003 -8.256 0.00 0.00 0.065 A ATOM 6 C UNL d 1 13.818 0.646 -9.147 0.00 0.00 0.037 A ATOM 7 C UNL d 1 13.637 2.006 -9.409 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 13.201 -1.327 -8.021 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 13.038 -1.507 -7.080 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 11.651 4.542 -10.245 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 11.682 5.833 -10.796 0.00 0.00 0.010 A ATOM 12 C UNL d 1 10.866 6.167 -11.881 0.00 0.00 0.037 A ATOM 13 C UNL d 1 10.025 5.205 -12.427 0.00 0.00 0.065 A ATOM 14 C UNL d 1 10.009 3.909 -11.925 0.00 0.00 0.037 A ATOM 15 C UNL d 1 10.815 3.579 -10.833 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 9.193 5.497 -13.468 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 9.596 6.211 -13.989 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4