REMARK VINA RESULT: -4.4 2.685 9.387 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 38.930 -38.046 -48.572 0.00 0.00 0.017 A ATOM 2 C UNL d 1 40.595 -40.436 -48.242 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 40.678 -39.380 -47.292 0.00 0.00 0.025 A ATOM 4 C UNL d 1 41.414 -41.623 -48.114 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 38.820 -39.138 -49.453 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 39.906 -38.188 -47.548 0.00 0.00 0.089 A ATOM 7 C UNL d 1 39.671 -40.256 -49.297 0.00 0.00 0.020 A ATOM 8 C UNL d 1 41.532 -39.561 -46.162 0.00 0.00 0.051 A ATOM 9 C UNL d 1 42.277 -41.711 -47.009 0.00 0.00 0.107 A ATOM 10 C UNL d 1 42.322 -40.710 -46.042 0.00 0.00 0.113 A ATOM 11 C UNL d 1 37.899 -39.226 -50.649 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 38.079 -36.810 -48.701 0.00 0.00 0.017 A ATOM 13 C UNL d 1 38.288 -35.840 -49.699 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 37.439 -34.715 -49.782 0.00 0.00 0.020 A ATOM 15 C UNL d 1 39.336 -35.898 -50.784 0.00 0.00 0.049 C ATOM 16 C UNL d 1 36.408 -34.406 -48.869 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 36.215 -35.333 -47.805 0.00 0.00 0.025 A ATOM 18 C UNL d 1 35.587 -33.222 -48.991 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 37.000 -36.543 -47.816 0.00 0.00 0.089 A ATOM 20 C UNL d 1 35.238 -35.008 -46.812 0.00 0.00 0.051 A ATOM 21 C UNL d 1 34.446 -33.871 -46.935 0.00 0.00 0.113 A ATOM 22 C UNL d 1 34.602 -33.004 -48.014 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 36.608 -37.522 -46.922 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 37.305 -38.193 -46.830 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 35.120 -35.797 -45.557 0.00 0.00 0.273 C ATOM 26 O UNL d 1 35.005 -35.302 -44.442 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 33.523 -33.524 -45.981 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 32.814 -34.193 -46.051 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 33.741 -31.935 -47.983 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 34.025 -31.286 -47.325 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 35.806 -32.214 -50.129 0.00 0.00 0.014 C ATOM 32 C UNL d 1 34.563 -31.979 -50.995 0.00 0.00 0.015 C ATOM 33 C UNL d 1 36.463 -30.921 -49.636 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 40.201 -37.099 -46.747 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 40.375 -36.314 -47.292 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 41.516 -38.623 -45.015 0.00 0.00 0.273 C ATOM 37 O UNL d 1 40.783 -38.733 -44.040 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 41.319 -42.772 -49.128 0.00 0.00 0.014 C ATOM 39 C UNL d 1 42.643 -43.082 -49.835 0.00 0.00 0.015 C ATOM 40 C UNL d 1 40.637 -44.009 -48.536 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 43.121 -40.928 -44.949 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 43.087 -40.096 -44.438 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 43.108 -42.771 -46.733 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 43.709 -42.557 -46.007 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11