REMARK VINA RESULT: -4.2 1.607 4.387 REMARK 9 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_7 REMARK 2 A between atoms: O_1 and C_11 REMARK 3 A between atoms: O_2 and C_13 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_6 REMARK 6 A between atoms: C_5 and C_7 REMARK 7 A between atoms: C_8 and C_11 REMARK 8 A between atoms: C_9 and C_16 REMARK 9 A between atoms: C_13 and C_14 ROOT ATOM 1 C UNL d 1 38.880 -40.859 -45.643 0.00 0.00 0.055 A ATOM 2 C UNL d 1 37.856 -40.846 -44.683 0.00 0.00 0.055 A ATOM 3 C UNL d 1 38.912 -41.863 -46.622 0.00 0.00 0.018 A ATOM 4 C UNL d 1 36.914 -41.886 -44.678 0.00 0.00 0.018 A ATOM 5 C UNL d 1 37.957 -42.881 -46.617 0.00 0.00 0.001 A ATOM 6 C UNL d 1 36.967 -42.902 -45.637 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 37.724 -39.803 -43.639 0.00 0.00 0.294 C ATOM 8 O UNL d 1 38.420 -39.780 -42.635 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 36.706 -38.963 -43.939 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 36.468 -38.737 -45.337 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 35.742 -37.427 -45.474 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 35.664 -36.794 -46.721 0.00 0.00 0.009 A ATOM 13 C UNL d 1 35.201 -35.483 -46.815 0.00 0.00 0.001 A ATOM 14 C UNL d 1 34.802 -34.802 -45.666 0.00 0.00 0.000 A ATOM 15 C UNL d 1 34.816 -35.446 -44.430 0.00 0.00 0.001 A ATOM 16 C UNL d 1 35.277 -36.758 -44.334 0.00 0.00 0.009 A ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 2 7 BRANCH 1 17 ATOM 17 C UNL d 1 40.020 -39.912 -45.625 0.00 0.00 0.294 C ATOM 18 O UNL d 1 40.958 -39.994 -44.855 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 39.735 -38.907 -46.480 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 40.317 -37.622 -46.220 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 39.316 -36.818 -45.396 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 39.059 -35.449 -46.030 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 38.441 -34.463 -45.057 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9