REMARK VINA RESULT: -5.2 1.845 5.708 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 -5.925 -1.516 1.871 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 -4.653 -1.707 2.671 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 -3.418 -1.260 2.176 0.00 0.00 0.010 A ATOM 4 C UNL d 1 -2.237 -1.483 2.893 0.00 0.00 0.037 A ATOM 5 C UNL d 1 -2.291 -2.163 4.104 0.00 0.00 0.065 A ATOM 6 C UNL d 1 -3.502 -2.605 4.617 0.00 0.00 0.037 A ATOM 7 C UNL d 1 -4.682 -2.375 3.906 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 -1.165 -2.423 4.827 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 -0.427 -1.921 4.441 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 -6.073 -2.508 0.738 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 -6.328 -2.065 -0.570 0.00 0.00 0.010 A ATOM 12 C UNL d 1 -6.559 -2.980 -1.602 0.00 0.00 0.037 A ATOM 13 C UNL d 1 -6.522 -4.342 -1.331 0.00 0.00 0.065 A ATOM 14 C UNL d 1 -6.230 -4.804 -0.053 0.00 0.00 0.037 A ATOM 15 C UNL d 1 -6.012 -3.890 0.980 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 -6.770 -5.267 -2.303 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 -6.783 -6.146 -1.891 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4