REMARK VINA RESULT: -4.6 3.837 6.276 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 39.614 -37.392 -47.438 0.00 0.00 0.017 A ATOM 2 C UNL d 1 40.256 -34.550 -47.109 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 38.944 -35.017 -46.818 0.00 0.00 0.025 A ATOM 4 C UNL d 1 40.601 -33.151 -46.969 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 40.919 -36.911 -47.648 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 38.654 -36.405 -47.083 0.00 0.00 0.089 A ATOM 7 C UNL d 1 41.188 -35.528 -47.529 0.00 0.00 0.020 A ATOM 8 C UNL d 1 37.999 -34.078 -46.303 0.00 0.00 0.051 A ATOM 9 C UNL d 1 39.606 -32.270 -46.514 0.00 0.00 0.107 A ATOM 10 C UNL d 1 38.336 -32.726 -46.169 0.00 0.00 0.113 A ATOM 11 C UNL d 1 42.112 -37.736 -48.077 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 39.251 -38.847 -47.581 0.00 0.00 0.017 A ATOM 13 C UNL d 1 39.173 -39.495 -48.828 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 38.851 -40.868 -48.893 0.00 0.00 0.020 A ATOM 15 C UNL d 1 39.465 -38.869 -50.170 0.00 0.00 0.049 C ATOM 16 C UNL d 1 38.500 -41.673 -47.788 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 38.502 -41.030 -46.518 0.00 0.00 0.025 A ATOM 18 C UNL d 1 38.155 -43.072 -47.921 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 38.965 -39.665 -46.456 0.00 0.00 0.089 A ATOM 20 C UNL d 1 38.067 -41.792 -45.388 0.00 0.00 0.051 A ATOM 21 C UNL d 1 37.740 -43.138 -45.519 0.00 0.00 0.113 A ATOM 22 C UNL d 1 37.802 -43.773 -46.757 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 39.192 -39.165 -45.187 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 38.557 -38.458 -44.985 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 37.826 -41.149 -44.069 0.00 0.00 0.273 C ATOM 26 O UNL d 1 36.854 -40.449 -43.813 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 37.293 -43.881 -44.456 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 36.637 -43.316 -44.001 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 37.450 -45.099 -46.707 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 36.500 -45.207 -46.856 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 38.136 -43.761 -49.293 0.00 0.00 0.014 C ATOM 32 C UNL d 1 39.180 -44.876 -49.439 0.00 0.00 0.015 C ATOM 33 C UNL d 1 36.724 -44.185 -49.708 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 37.317 -36.759 -47.026 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 37.222 -37.726 -47.049 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 36.687 -34.509 -45.765 0.00 0.00 0.273 C ATOM 37 O UNL d 1 36.315 -34.320 -44.613 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 42.019 -32.645 -47.268 0.00 0.00 0.014 C ATOM 39 C UNL d 1 42.195 -32.111 -48.695 0.00 0.00 0.015 C ATOM 40 C UNL d 1 42.529 -31.685 -46.188 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 37.462 -31.811 -45.642 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 36.858 -31.583 -46.376 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 39.770 -30.920 -46.315 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 40.336 -30.752 -45.550 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11