REMARK VINA RESULT: -4.2 1.522 2.203 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 12.720 45.410 27.443 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 13.397 46.172 26.322 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 12.785 47.294 25.744 0.00 0.00 0.010 A ATOM 4 C UNL d 1 13.387 47.965 24.673 0.00 0.00 0.037 A ATOM 5 C UNL d 1 14.601 47.506 24.175 0.00 0.00 0.065 A ATOM 6 C UNL d 1 15.229 46.405 24.739 0.00 0.00 0.037 A ATOM 7 C UNL d 1 14.632 45.739 25.812 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 15.215 48.114 23.121 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 14.880 49.024 23.050 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 12.802 43.908 27.280 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 12.063 43.258 26.278 0.00 0.00 0.010 A ATOM 12 C UNL d 1 12.061 41.863 26.183 0.00 0.00 0.037 A ATOM 13 C UNL d 1 12.810 41.114 27.083 0.00 0.00 0.065 A ATOM 14 C UNL d 1 13.582 41.738 28.056 0.00 0.00 0.037 A ATOM 15 C UNL d 1 13.574 43.131 28.158 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 12.813 39.750 27.043 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 12.291 39.422 27.793 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4