REMARK VINA RESULT: -4.5 0.338 1.292 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 36.652 -38.531 -43.795 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 37.767 -39.320 -44.450 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 39.086 -39.226 -43.982 0.00 0.00 0.010 A ATOM 4 C UNL d 1 40.123 -39.915 -44.622 0.00 0.00 0.037 A ATOM 5 C UNL d 1 39.840 -40.694 -45.738 0.00 0.00 0.065 A ATOM 6 C UNL d 1 38.541 -40.810 -46.211 0.00 0.00 0.037 A ATOM 7 C UNL d 1 37.504 -40.129 -45.568 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 40.820 -41.366 -46.406 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 41.345 -41.869 -45.761 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 36.358 -37.220 -44.491 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 35.078 -36.646 -44.421 0.00 0.00 0.010 A ATOM 12 C UNL d 1 34.776 -35.485 -45.139 0.00 0.00 0.037 A ATOM 13 C UNL d 1 35.758 -34.888 -45.920 0.00 0.00 0.065 A ATOM 14 C UNL d 1 37.042 -35.415 -45.971 0.00 0.00 0.037 A ATOM 15 C UNL d 1 37.341 -36.582 -45.263 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 35.496 -33.770 -46.658 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 36.193 -33.118 -46.482 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4