REMARK VINA RESULT: -4.2 1.535 2.298 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 12.751 45.381 27.521 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 13.414 46.064 26.343 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 14.681 45.657 25.896 0.00 0.00 0.010 A ATOM 4 C UNL d 1 15.315 46.322 24.841 0.00 0.00 0.037 A ATOM 5 C UNL d 1 14.683 47.404 24.237 0.00 0.00 0.065 A ATOM 6 C UNL d 1 13.427 47.817 24.656 0.00 0.00 0.037 A ATOM 7 C UNL d 1 12.790 47.148 25.705 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 15.270 48.096 23.220 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 16.229 48.124 23.378 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 12.739 43.872 27.409 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 13.459 43.083 28.320 0.00 0.00 0.010 A ATOM 12 C UNL d 1 13.528 41.695 28.164 0.00 0.00 0.037 A ATOM 13 C UNL d 1 12.865 41.091 27.103 0.00 0.00 0.065 A ATOM 14 C UNL d 1 12.111 41.848 26.214 0.00 0.00 0.037 A ATOM 15 C UNL d 1 12.053 43.236 26.362 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 12.930 39.743 26.899 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 13.361 39.339 27.670 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4