REMARK VINA RESULT: -3.9 2.330 9.585 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 18.135 -33.493 -2.929 0.00 0.00 0.017 A ATOM 2 C UNL d 1 15.409 -32.656 -3.609 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 16.405 -31.674 -3.349 0.00 0.00 0.025 A ATOM 4 C UNL d 1 14.050 -32.274 -3.935 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 17.144 -34.435 -3.263 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 17.706 -32.137 -2.930 0.00 0.00 0.089 A ATOM 7 C UNL d 1 15.827 -34.005 -3.538 0.00 0.00 0.020 A ATOM 8 C UNL d 1 16.047 -30.300 -3.500 0.00 0.00 0.051 A ATOM 9 C UNL d 1 13.751 -30.903 -4.009 0.00 0.00 0.107 A ATOM 10 C UNL d 1 14.733 -29.935 -3.814 0.00 0.00 0.113 A ATOM 11 C UNL d 1 17.321 -35.938 -3.292 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 19.549 -33.886 -2.592 0.00 0.00 0.017 A ATOM 13 C UNL d 1 20.586 -33.896 -3.543 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 21.897 -34.250 -3.157 0.00 0.00 0.020 A ATOM 15 C UNL d 1 20.461 -33.493 -4.992 0.00 0.00 0.049 C ATOM 16 C UNL d 1 22.272 -34.700 -1.873 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 21.231 -34.768 -0.904 0.00 0.00 0.025 A ATOM 18 C UNL d 1 23.630 -35.075 -1.544 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 19.930 -34.273 -1.279 0.00 0.00 0.089 A ATOM 20 C UNL d 1 21.557 -35.303 0.382 0.00 0.00 0.051 A ATOM 21 C UNL d 1 22.865 -35.658 0.697 0.00 0.00 0.113 A ATOM 22 C UNL d 1 23.887 -35.527 -0.240 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 19.024 -34.120 -0.245 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 18.733 -34.989 0.078 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 20.499 -35.617 1.379 0.00 0.00 0.273 C ATOM 26 O UNL d 1 20.304 -34.971 2.402 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 23.196 -36.199 1.914 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 23.818 -35.564 2.319 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 25.115 -35.920 0.234 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 25.251 -36.866 0.090 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 24.749 -35.017 -2.594 0.00 0.00 0.014 C ATOM 32 C UNL d 1 25.820 -33.960 -2.299 0.00 0.00 0.015 C ATOM 33 C UNL d 1 25.325 -36.403 -2.901 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 18.563 -31.162 -2.450 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 19.246 -30.956 -3.110 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 17.064 -29.223 -3.469 0.00 0.00 0.273 C ATOM 37 O UNL d 1 17.093 -28.321 -2.640 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 12.974 -33.328 -4.230 0.00 0.00 0.014 C ATOM 39 C UNL d 1 11.781 -33.279 -3.269 0.00 0.00 0.015 C ATOM 40 C UNL d 1 12.569 -33.340 -5.708 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 14.371 -28.626 -4.003 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 13.754 -28.639 -4.761 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 12.520 -30.374 -4.317 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 12.582 -29.776 -5.072 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11