REMARK VINA RESULT: -8.7 0.425 9.571 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 -0.766 -5.595 6.223 0.00 0.00 0.017 A ATOM 2 C UNL d 1 -3.189 -4.896 7.718 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 -2.306 -3.869 7.284 0.00 0.00 0.025 A ATOM 4 C UNL d 1 -4.387 -4.584 8.469 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 -1.697 -6.579 6.604 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 -1.083 -4.270 6.632 0.00 0.00 0.089 A ATOM 7 C UNL d 1 -2.831 -6.218 7.367 0.00 0.00 0.020 A ATOM 8 C UNL d 1 -2.678 -2.513 7.538 0.00 0.00 0.051 A ATOM 9 C UNL d 1 -4.663 -3.233 8.737 0.00 0.00 0.107 A ATOM 10 C UNL d 1 -3.836 -2.216 8.266 0.00 0.00 0.113 A ATOM 11 C UNL d 1 -1.579 -8.063 6.339 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 0.480 -5.915 5.440 0.00 0.00 0.017 A ATOM 13 C UNL d 1 0.964 -5.092 4.407 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 2.153 -5.435 3.726 0.00 0.00 0.020 A ATOM 15 C UNL d 1 0.357 -3.784 3.958 0.00 0.00 0.049 C ATOM 16 C UNL d 1 2.891 -6.620 3.930 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 2.389 -7.510 4.921 0.00 0.00 0.025 A ATOM 18 C UNL d 1 4.090 -6.930 3.182 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 1.253 -7.078 5.699 0.00 0.00 0.089 A ATOM 20 C UNL d 1 3.062 -8.760 5.093 0.00 0.00 0.051 A ATOM 21 C UNL d 1 4.218 -9.053 4.375 0.00 0.00 0.113 A ATOM 22 C UNL d 1 4.735 -8.147 3.452 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 0.957 -7.847 6.809 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 0.019 -8.100 6.803 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 2.486 -9.838 5.940 0.00 0.00 0.273 C ATOM 26 O UNL d 1 3.091 -10.397 6.848 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 4.863 -10.257 4.502 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 5.779 -10.034 4.762 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 5.879 -8.592 2.836 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 6.100 -8.032 2.079 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 4.623 -5.978 2.100 0.00 0.00 0.014 C ATOM 32 C UNL d 1 3.541 -5.461 1.144 0.00 0.00 0.015 C ATOM 33 C UNL d 1 5.502 -4.870 2.688 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 -0.144 -3.270 6.451 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 0.730 -3.566 6.758 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 -1.942 -1.377 6.935 0.00 0.00 0.273 C ATOM 37 O UNL d 1 -2.473 -0.435 6.361 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 -5.351 -5.687 8.929 0.00 0.00 0.014 C ATOM 39 C UNL d 1 -4.758 -7.098 8.845 0.00 0.00 0.015 C ATOM 40 C UNL d 1 -5.986 -5.369 10.286 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 -4.238 -0.925 8.492 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 -4.962 -0.767 7.854 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 -5.759 -2.766 9.424 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 -5.495 -2.367 10.263 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11