REMARK VINA RESULT: -4.2 1.790 3.033 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 -1.177 -18.134 5.888 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -1.071 -21.051 5.617 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -0.373 -20.229 4.689 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -1.049 -22.495 5.502 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -1.796 -18.976 6.829 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -0.531 -18.801 4.810 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -1.770 -20.378 6.646 0.00 0.00 0.020 A ATOM 8 C UNL d 1 0.419 -20.872 3.689 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -0.297 -23.060 4.458 0.00 0.00 0.107 A ATOM 10 C UNL d 1 0.438 -22.267 3.581 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -2.587 -18.528 8.039 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -1.197 -16.632 6.004 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -0.077 -15.884 6.413 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -0.153 -14.476 6.479 0.00 0.00 0.020 A ATOM 15 C UNL d 1 1.284 -16.441 6.751 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -1.318 -13.713 6.248 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -2.488 -14.446 5.900 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -1.340 -12.271 6.356 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -2.357 -15.869 5.705 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -3.707 -13.714 5.745 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -3.724 -12.326 5.845 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -2.559 -11.615 6.124 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -3.443 -16.499 5.126 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -3.144 -17.167 4.487 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -5.013 -14.410 5.602 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -5.566 -14.622 4.529 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -4.885 -11.606 5.729 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -4.626 -10.672 5.856 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -2.752 -10.257 6.185 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -3.082 -9.997 7.056 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -0.082 -11.482 6.748 0.00 0.00 0.014 C ATOM 32 C UNL d 1 0.419 -10.532 5.652 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -0.222 -10.815 8.120 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -0.047 -18.051 3.752 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 -0.741 -17.920 3.085 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 1.351 -20.109 2.825 0.00 0.00 0.273 C ATOM 37 O UNL d 1 1.274 -20.054 1.603 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -1.789 -23.387 6.508 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -2.936 -24.195 5.890 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -0.825 -24.234 7.345 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 1.218 -22.911 2.656 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 0.850 -23.815 2.596 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -0.161 -24.407 4.217 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 0.188 -24.564 3.330 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11