REMARK VINA RESULT: -5.3 2.450 8.996 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 -2.585 -5.063 -0.918 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -1.142 -6.636 -2.927 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -2.564 -6.667 -2.893 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -0.401 -7.412 -3.899 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -1.184 -4.999 -1.025 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -3.223 -5.948 -1.830 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -0.512 -5.806 -1.971 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -3.242 -7.420 -3.899 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -1.129 -8.179 -4.823 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -2.522 -8.170 -4.836 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -0.262 -4.177 -0.151 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -3.360 -4.256 0.091 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -3.601 -2.878 -0.058 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -4.357 -2.183 0.912 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -3.171 -2.025 -1.226 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -4.844 -2.739 2.114 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -4.557 -4.117 2.328 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -5.592 -1.969 3.083 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -3.904 -4.841 1.265 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -4.958 -4.692 3.575 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -5.682 -3.949 4.503 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -6.011 -2.619 4.254 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -3.873 -6.217 1.406 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -4.345 -6.483 2.213 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -4.512 -6.052 3.979 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -3.390 -6.312 4.397 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -6.052 -4.470 5.717 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -7.030 -4.458 5.717 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -6.727 -2.036 5.271 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -7.593 -2.455 5.364 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -5.887 -0.478 2.859 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -4.630 0.377 2.655 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -6.960 -0.256 1.789 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -4.575 -6.203 -1.682 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -5.062 -5.374 -1.538 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -4.710 -7.334 -4.080 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -5.518 -8.093 -3.560 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 1.133 -7.373 -3.949 0.00 0.00 0.014 C ATOM 39 C UNL d 1 1.752 -6.288 -3.060 0.00 0.00 0.015 C ATOM 40 C UNL d 1 1.753 -8.759 -3.745 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -3.145 -8.871 -5.836 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -2.622 -8.687 -6.641 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -0.582 -8.960 -5.814 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -1.187 -9.038 -6.564 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11