REMARK VINA RESULT: -4.6 3.767 8.366 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 39.000 -38.794 -47.477 0.00 0.00 0.017 A ATOM 2 C UNL d 1 38.385 -41.646 -47.764 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 38.408 -41.055 -46.471 0.00 0.00 0.025 A ATOM 4 C UNL d 1 38.098 -43.055 -47.938 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 38.899 -39.394 -48.746 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 38.805 -39.671 -46.375 0.00 0.00 0.089 A ATOM 7 C UNL d 1 38.649 -40.781 -48.852 0.00 0.00 0.020 A ATOM 8 C UNL d 1 38.057 -41.873 -45.354 0.00 0.00 0.051 A ATOM 9 C UNL d 1 37.819 -43.816 -46.791 0.00 0.00 0.107 A ATOM 10 C UNL d 1 37.781 -43.234 -45.526 0.00 0.00 0.113 A ATOM 11 C UNL d 1 39.107 -38.702 -50.075 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 39.298 -37.329 -47.292 0.00 0.00 0.017 A ATOM 13 C UNL d 1 40.546 -36.759 -47.600 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 40.754 -35.373 -47.427 0.00 0.00 0.020 A ATOM 15 C UNL d 1 41.734 -37.489 -48.180 0.00 0.00 0.049 C ATOM 16 C UNL d 1 39.819 -34.475 -46.870 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 38.568 -35.034 -46.482 0.00 0.00 0.025 A ATOM 18 C UNL d 1 40.099 -33.067 -46.693 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 38.326 -36.421 -46.792 0.00 0.00 0.089 A ATOM 20 C UNL d 1 37.629 -34.171 -45.833 0.00 0.00 0.051 A ATOM 21 C UNL d 1 37.900 -32.816 -45.669 0.00 0.00 0.113 A ATOM 22 C UNL d 1 39.103 -32.269 -46.109 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 37.022 -36.854 -46.634 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 36.964 -37.812 -46.784 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 36.396 -34.708 -45.199 0.00 0.00 0.273 C ATOM 26 O UNL d 1 35.259 -34.436 -45.565 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 37.028 -31.976 -45.024 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 36.174 -32.450 -45.010 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 39.207 -30.920 -45.872 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 38.406 -30.585 -45.447 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 41.455 -32.468 -47.096 0.00 0.00 0.014 C ATOM 32 C UNL d 1 41.450 -31.800 -48.477 0.00 0.00 0.015 C ATOM 33 C UNL d 1 42.048 -31.588 -45.991 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 39.056 -39.206 -45.096 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 38.764 -39.857 -44.435 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 37.838 -41.299 -44.006 0.00 0.00 0.273 C ATOM 37 O UNL d 1 36.901 -40.567 -43.709 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 38.058 -43.695 -49.333 0.00 0.00 0.014 C ATOM 39 C UNL d 1 39.149 -44.747 -49.560 0.00 0.00 0.015 C ATOM 40 C UNL d 1 36.653 -44.180 -49.704 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 37.404 -44.034 -44.478 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 36.808 -43.481 -43.936 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 37.515 -45.157 -46.781 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 36.970 -45.391 -47.543 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11