REMARK VINA RESULT: -8.4 2.092 3.438 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 0.783 -5.394 5.422 0.00 0.00 0.017 A ATOM 2 C UNL d 1 3.256 -5.491 3.850 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 2.354 -4.403 3.682 0.00 0.00 0.025 A ATOM 4 C UNL d 1 4.479 -5.573 3.079 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 1.731 -6.416 5.615 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 1.110 -4.448 4.411 0.00 0.00 0.089 A ATOM 7 C UNL d 1 2.890 -6.464 4.809 0.00 0.00 0.020 A ATOM 8 C UNL d 1 2.730 -3.352 2.791 0.00 0.00 0.051 A ATOM 9 C UNL d 1 4.759 -4.535 2.176 0.00 0.00 0.107 A ATOM 10 C UNL d 1 3.913 -3.437 2.047 0.00 0.00 0.113 A ATOM 11 C UNL d 1 1.609 -7.568 6.589 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 -0.489 -5.303 6.223 0.00 0.00 0.017 A ATOM 13 C UNL d 1 -1.233 -6.434 6.604 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 -2.405 -6.283 7.377 0.00 0.00 0.020 A ATOM 15 C UNL d 1 -0.870 -7.871 6.316 0.00 0.00 0.049 C ATOM 16 C UNL d 1 -2.979 -5.049 7.748 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 -2.288 -3.881 7.318 0.00 0.00 0.025 A ATOM 18 C UNL d 1 -4.199 -4.957 8.520 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 -1.022 -4.057 6.649 0.00 0.00 0.089 A ATOM 20 C UNL d 1 -2.887 -2.613 7.601 0.00 0.00 0.051 A ATOM 21 C UNL d 1 -4.058 -2.528 8.348 0.00 0.00 0.113 A ATOM 22 C UNL d 1 -4.692 -3.677 8.817 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 -0.269 -2.910 6.477 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 -0.810 -2.208 6.079 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 -2.359 -1.358 7.005 0.00 0.00 0.273 C ATOM 26 O UNL d 1 -1.640 -0.563 7.599 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 -4.667 -1.327 8.607 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 -4.607 -1.209 9.576 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 -5.832 -3.414 9.537 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 -6.620 -3.630 9.021 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 -4.954 -6.217 8.970 0.00 0.00 0.014 C ATOM 32 C UNL d 1 -4.386 -6.856 10.243 0.00 0.00 0.015 C ATOM 33 C UNL d 1 -6.469 -5.996 9.019 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 0.161 -3.513 4.036 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 0.487 -2.980 3.292 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 1.969 -2.083 2.718 0.00 0.00 0.273 C ATOM 37 O UNL d 1 2.442 -0.978 2.951 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 5.463 -6.737 3.266 0.00 0.00 0.014 C ATOM 39 C UNL d 1 5.879 -6.965 4.724 0.00 0.00 0.015 C ATOM 40 C UNL d 1 4.990 -8.011 2.558 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 4.317 -2.426 1.213 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 4.488 -1.664 1.801 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 5.878 -4.454 1.380 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 6.328 -3.609 1.504 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11