REMARK VINA RESULT: 29.5 0.274 8.788 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 4.765 -5.516 12.770 0.00 0.00 0.017 A ATOM 2 C UNL d 1 4.742 -6.687 15.458 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 4.487 -7.510 14.327 0.00 0.00 0.025 A ATOM 4 C UNL d 1 4.725 -7.233 16.800 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 5.083 -4.746 13.904 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 4.420 -6.871 13.036 0.00 0.00 0.089 A ATOM 7 C UNL d 1 5.016 -5.325 15.191 0.00 0.00 0.020 A ATOM 8 C UNL d 1 4.296 -8.909 14.545 0.00 0.00 0.051 A ATOM 9 C UNL d 1 4.471 -8.606 16.948 0.00 0.00 0.107 A ATOM 10 C UNL d 1 4.280 -9.432 15.844 0.00 0.00 0.113 A ATOM 11 C UNL d 1 5.438 -3.275 13.907 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 4.783 -4.953 11.374 0.00 0.00 0.017 A ATOM 13 C UNL d 1 3.824 -4.035 10.909 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 3.911 -3.525 9.595 0.00 0.00 0.020 A ATOM 15 C UNL d 1 2.687 -3.458 11.716 0.00 0.00 0.049 C ATOM 16 C UNL d 1 4.857 -3.928 8.628 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 5.801 -4.910 9.045 0.00 0.00 0.025 A ATOM 18 C UNL d 1 4.880 -3.388 7.286 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 5.781 -5.316 10.429 0.00 0.00 0.089 A ATOM 20 C UNL d 1 6.718 -5.406 8.066 0.00 0.00 0.051 A ATOM 21 C UNL d 1 6.741 -4.880 6.778 0.00 0.00 0.113 A ATOM 22 C UNL d 1 5.853 -3.875 6.400 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 6.862 -6.069 10.850 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 6.564 -6.792 11.426 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 7.587 -6.580 8.347 0.00 0.00 0.273 C ATOM 26 O UNL d 1 8.806 -6.524 8.448 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 7.592 -5.360 5.815 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 8.397 -4.811 5.884 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 6.013 -3.470 5.098 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 6.941 -3.273 4.911 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 3.852 -2.342 6.831 0.00 0.00 0.014 C ATOM 32 C UNL d 1 2.559 -2.346 7.656 0.00 0.00 0.015 C ATOM 33 C UNL d 1 4.474 -0.950 6.675 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 3.928 -7.651 12.004 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 4.656 -8.099 11.542 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 4.247 -9.873 13.422 0.00 0.00 0.273 C ATOM 37 O UNL d 1 5.188 -10.574 13.068 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 5.012 -6.351 18.023 0.00 0.00 0.014 C ATOM 39 C UNL d 1 6.480 -5.924 18.145 0.00 0.00 0.015 C ATOM 40 C UNL d 1 4.024 -5.186 18.139 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 4.137 -10.775 16.081 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 3.172 -10.925 16.123 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 4.432 -9.282 18.145 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 3.618 -9.795 18.224 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11