REMARK VINA RESULT: -4.3 1.563 3.082 REMARK 11 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_21 REMARK 2 A between atoms: O_2 and C_22 REMARK 3 A between atoms: O_3 and C_27 REMARK 4 A between atoms: O_4 and C_28 REMARK 5 A between atoms: O_5 and C_29 REMARK 6 A between atoms: O_6 and C_30 REMARK 7 A between atoms: C_9 and C_10 REMARK 8 A between atoms: C_15 and C_19 REMARK 9 A between atoms: C_16 and C_20 REMARK 10 A between atoms: C_25 and C_37 REMARK 11 A between atoms: C_26 and C_38 ROOT ATOM 1 C UNL d 1 11.971 43.699 24.425 0.00 0.00 0.017 A ATOM 2 C UNL d 1 10.894 41.634 26.206 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 10.987 42.980 26.659 0.00 0.00 0.025 A ATOM 4 C UNL d 1 10.379 40.590 27.067 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 11.798 42.374 23.985 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 11.608 43.940 25.779 0.00 0.00 0.089 A ATOM 7 C UNL d 1 11.323 41.390 24.881 0.00 0.00 0.020 A ATOM 8 C UNL d 1 10.480 43.286 27.959 0.00 0.00 0.051 A ATOM 9 C UNL d 1 9.952 40.950 28.356 0.00 0.00 0.107 A ATOM 10 C UNL d 1 9.984 42.273 28.788 0.00 0.00 0.113 A ATOM 11 C UNL d 1 12.148 41.841 22.613 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 12.505 44.789 23.533 0.00 0.00 0.017 A ATOM 13 C UNL d 1 13.877 44.955 23.269 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 14.311 45.983 22.404 0.00 0.00 0.020 A ATOM 15 C UNL d 1 14.991 44.079 23.788 0.00 0.00 0.049 C ATOM 16 C UNL d 1 13.477 46.958 21.818 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 12.089 46.860 22.121 0.00 0.00 0.025 A ATOM 18 C UNL d 1 13.985 48.005 20.958 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 11.649 45.725 22.894 0.00 0.00 0.089 A ATOM 20 C UNL d 1 11.226 47.883 21.615 0.00 0.00 0.051 A ATOM 21 C UNL d 1 11.718 48.885 20.784 0.00 0.00 0.113 A ATOM 22 C UNL d 1 13.067 48.934 20.444 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 10.281 45.531 22.949 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 9.823 46.382 23.049 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 9.811 47.988 22.058 0.00 0.00 0.273 C ATOM 26 O UNL d 1 9.465 48.323 23.185 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 10.915 49.892 20.312 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 11.430 50.714 20.436 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 13.382 49.984 19.616 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 12.585 50.354 19.214 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 15.484 48.120 20.644 0.00 0.00 0.014 C ATOM 32 C UNL d 1 16.374 48.186 21.892 0.00 0.00 0.015 C ATOM 33 C UNL d 1 15.942 47.078 19.620 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 11.905 45.168 26.345 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 12.462 45.052 27.133 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 10.331 44.684 28.427 0.00 0.00 0.273 C ATOM 37 O UNL d 1 11.239 45.358 28.897 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 10.263 39.139 26.579 0.00 0.00 0.014 C ATOM 39 C UNL d 1 9.438 38.983 25.296 0.00 0.00 0.015 C ATOM 40 C UNL d 1 11.625 38.441 26.519 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 9.456 42.543 30.024 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 9.014 43.410 29.928 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 9.428 40.087 29.289 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 8.512 40.315 29.493 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11