REMARK VINA RESULT: -4.6 1.717 9.228 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 37.028 -36.326 -46.697 0.00 0.00 0.017 A ATOM 2 C UNL d 1 39.271 -38.005 -45.834 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 39.515 -36.861 -46.644 0.00 0.00 0.025 A ATOM 4 C UNL d 1 40.356 -38.861 -45.403 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 36.830 -37.422 -45.837 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 38.371 -36.121 -47.117 0.00 0.00 0.089 A ATOM 7 C UNL d 1 37.923 -38.242 -45.477 0.00 0.00 0.020 A ATOM 8 C UNL d 1 40.871 -36.534 -46.951 0.00 0.00 0.051 A ATOM 9 C UNL d 1 41.661 -38.515 -45.790 0.00 0.00 0.107 A ATOM 10 C UNL d 1 41.917 -37.365 -46.533 0.00 0.00 0.113 A ATOM 11 C UNL d 1 35.501 -37.887 -45.282 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 35.902 -35.432 -47.146 0.00 0.00 0.017 A ATOM 13 C UNL d 1 35.423 -34.361 -46.371 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 34.380 -33.544 -46.860 0.00 0.00 0.020 A ATOM 15 C UNL d 1 35.964 -33.926 -45.030 0.00 0.00 0.049 C ATOM 16 C UNL d 1 33.679 -33.757 -48.067 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 34.094 -34.876 -48.843 0.00 0.00 0.025 A ATOM 18 C UNL d 1 32.600 -32.899 -48.504 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 35.248 -35.615 -48.394 0.00 0.00 0.089 A ATOM 20 C UNL d 1 33.349 -35.174 -50.028 0.00 0.00 0.051 A ATOM 21 C UNL d 1 32.315 -34.343 -50.448 0.00 0.00 0.113 A ATOM 22 C UNL d 1 31.959 -33.215 -49.712 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 35.768 -36.524 -49.297 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 36.006 -36.077 -50.126 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 33.565 -36.439 -50.779 0.00 0.00 0.273 C ATOM 26 O UNL d 1 32.662 -37.145 -51.211 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 31.568 -34.624 -51.564 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 31.319 -33.755 -51.935 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 30.922 -32.507 -50.268 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 30.640 -31.794 -49.679 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 32.142 -31.701 -47.658 0.00 0.00 0.014 C ATOM 32 C UNL d 1 31.067 -32.052 -46.621 0.00 0.00 0.015 C ATOM 33 C UNL d 1 33.323 -30.920 -47.075 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 38.630 -35.176 -48.095 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 38.020 -34.425 -48.011 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 41.236 -35.251 -47.594 0.00 0.00 0.273 C ATOM 37 O UNL d 1 41.538 -34.232 -46.986 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 40.101 -40.089 -44.517 0.00 0.00 0.014 C ATOM 39 C UNL d 1 39.577 -39.742 -43.118 0.00 0.00 0.015 C ATOM 40 C UNL d 1 39.267 -41.154 -45.236 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 43.230 -37.056 -46.780 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 43.207 -36.189 -47.231 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 42.800 -39.210 -45.456 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 43.182 -38.871 -44.636 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11