REMARK VINA RESULT: 40.7 1.456 9.346 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 22.498 -5.384 -3.579 0.00 0.00 0.017 A ATOM 2 C UNL d 1 25.135 -4.122 -3.356 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 24.304 -4.231 -2.207 0.00 0.00 0.025 A ATOM 4 C UNL d 1 26.436 -3.492 -3.281 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 23.373 -5.325 -4.679 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 22.981 -4.777 -2.387 0.00 0.00 0.089 A ATOM 7 C UNL d 1 24.618 -4.667 -4.555 0.00 0.00 0.020 A ATOM 8 C UNL d 1 24.825 -3.775 -0.958 0.00 0.00 0.051 A ATOM 9 C UNL d 1 26.864 -3.011 -2.033 0.00 0.00 0.107 A ATOM 10 C UNL d 1 26.084 -3.166 -0.889 0.00 0.00 0.113 A ATOM 11 C UNL d 1 23.090 -5.850 -6.070 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 21.144 -6.040 -3.653 0.00 0.00 0.017 A ATOM 13 C UNL d 1 20.046 -5.610 -2.887 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 18.795 -6.252 -3.020 0.00 0.00 0.020 A ATOM 15 C UNL d 1 20.036 -4.441 -1.932 0.00 0.00 0.049 C ATOM 16 C UNL d 1 18.547 -7.389 -3.816 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 19.657 -7.894 -4.552 0.00 0.00 0.025 A ATOM 18 C UNL d 1 17.247 -8.021 -3.892 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 20.888 -7.144 -4.509 0.00 0.00 0.089 A ATOM 20 C UNL d 1 19.464 -9.097 -5.301 0.00 0.00 0.051 A ATOM 21 C UNL d 1 18.212 -9.698 -5.376 0.00 0.00 0.113 A ATOM 22 C UNL d 1 17.118 -9.160 -4.702 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 21.852 -7.519 -5.427 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 22.103 -8.448 -5.291 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 20.611 -9.816 -5.918 0.00 0.00 0.273 C ATOM 26 O UNL d 1 20.764 -11.030 -5.876 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 18.010 -10.868 -6.064 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 18.288 -10.680 -6.982 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 15.960 -9.875 -4.884 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 16.157 -10.791 -5.123 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 16.054 -7.486 -3.086 0.00 0.00 0.014 C ATOM 32 C UNL d 1 15.962 -8.059 -1.666 0.00 0.00 0.015 C ATOM 33 C UNL d 1 15.960 -5.958 -3.137 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 22.122 -4.637 -1.311 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 21.219 -4.894 -1.563 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 24.130 -4.047 0.322 0.00 0.00 0.273 C ATOM 37 O UNL d 1 23.378 -3.260 0.883 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 27.343 -3.384 -4.516 0.00 0.00 0.014 C ATOM 39 C UNL d 1 26.979 -4.364 -5.636 0.00 0.00 0.015 C ATOM 40 C UNL d 1 27.495 -1.936 -4.994 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 26.625 -2.755 0.301 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 26.122 -3.233 0.989 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 28.072 -2.402 -1.787 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 28.236 -2.334 -0.837 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11