REMARK VINA RESULT: -6.5 0.000 0.000 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 13.637 3.721 -10.026 0.00 0.00 0.017 A ATOM 2 C UNL d 1 12.594 5.349 -12.231 0.00 0.00 -0.012 A ATOM 3 C UNL d 1 13.912 4.818 -12.306 0.00 0.00 0.025 A ATOM 4 C UNL d 1 12.056 6.167 -13.298 0.00 0.00 -0.007 A ATOM 5 C UNL d 1 12.314 4.201 -10.016 0.00 0.00 -0.047 A ATOM 6 C UNL d 1 14.411 4.102 -11.158 0.00 0.00 0.089 A ATOM 7 C UNL d 1 11.855 5.023 -11.070 0.00 0.00 0.020 A ATOM 8 C UNL d 1 14.659 5.047 -13.502 0.00 0.00 0.051 A ATOM 9 C UNL d 1 12.866 6.402 -14.420 0.00 0.00 0.107 A ATOM 10 C UNL d 1 14.135 5.839 -14.530 0.00 0.00 0.113 A ATOM 11 C UNL d 1 11.298 3.983 -8.917 0.00 0.00 0.049 C ENDROOT BRANCH 1 12 ATOM 12 C UNL d 1 14.200 2.869 -8.920 0.00 0.00 0.017 A ATOM 13 C UNL d 1 14.994 3.392 -7.883 0.00 0.00 -0.047 A ATOM 14 C UNL d 1 15.472 2.543 -6.861 0.00 0.00 0.020 A ATOM 15 C UNL d 1 15.364 4.843 -7.697 0.00 0.00 0.049 C ATOM 16 C UNL d 1 15.298 1.143 -6.820 0.00 0.00 -0.012 A ATOM 17 C UNL d 1 14.557 0.571 -7.894 0.00 0.00 0.025 A ATOM 18 C UNL d 1 15.835 0.321 -5.758 0.00 0.00 -0.007 A ATOM 19 C UNL d 1 13.962 1.470 -8.853 0.00 0.00 0.089 A ATOM 20 C UNL d 1 14.436 -0.853 -7.931 0.00 0.00 0.051 A ATOM 21 C UNL d 1 14.950 -1.640 -6.905 0.00 0.00 0.113 A ATOM 22 C UNL d 1 15.618 -1.064 -5.828 0.00 0.00 0.107 A BRANCH 19 23 ATOM 23 O UNL d 1 13.050 0.901 -9.722 0.00 0.00 -0.359 OA ATOM 24 H UNL d 1 12.180 1.323 -9.620 0.00 0.00 0.217 HD ENDBRANCH 19 23 BRANCH 20 25 ATOM 25 C UNL d 1 13.876 -1.550 -9.120 0.00 0.00 0.273 C ATOM 26 O UNL d 1 12.733 -1.986 -9.186 0.00 0.00 -0.301 OA ENDBRANCH 20 25 BRANCH 21 27 ATOM 27 O UNL d 1 14.871 -3.010 -6.934 0.00 0.00 -0.357 OA ATOM 28 H UNL d 1 15.651 -3.325 -6.437 0.00 0.00 0.217 HD ENDBRANCH 21 27 BRANCH 22 29 ATOM 29 O UNL d 1 16.058 -1.983 -4.906 0.00 0.00 -0.357 OA ATOM 30 H UNL d 1 15.553 -2.804 -4.974 0.00 0.00 0.217 HD ENDBRANCH 22 29 BRANCH 18 31 ATOM 31 C UNL d 1 16.648 0.935 -4.609 0.00 0.00 0.014 C ATOM 32 C UNL d 1 17.606 2.047 -5.054 0.00 0.00 0.015 C ATOM 33 C UNL d 1 15.764 1.328 -3.421 0.00 0.00 0.015 C ENDBRANCH 18 31 ENDBRANCH 1 12 BRANCH 6 34 ATOM 34 O UNL d 1 15.766 3.821 -11.168 0.00 0.00 -0.359 OA ATOM 35 H UNL d 1 16.212 4.279 -10.436 0.00 0.00 0.217 HD ENDBRANCH 6 34 BRANCH 8 36 ATOM 36 C UNL d 1 15.942 4.354 -13.762 0.00 0.00 0.273 C ATOM 37 O UNL d 1 17.033 4.909 -13.804 0.00 0.00 -0.301 OA ENDBRANCH 8 36 BRANCH 4 38 ATOM 38 C UNL d 1 10.629 6.730 -13.228 0.00 0.00 0.014 C ATOM 39 C UNL d 1 9.541 5.652 -13.189 0.00 0.00 0.015 C ATOM 40 C UNL d 1 10.481 7.790 -12.131 0.00 0.00 0.015 C ENDBRANCH 4 38 BRANCH 10 41 ATOM 41 O UNL d 1 14.813 6.043 -15.704 0.00 0.00 -0.357 OA ATOM 42 H UNL d 1 15.662 5.570 -15.593 0.00 0.00 0.217 HD ENDBRANCH 10 41 BRANCH 9 43 ATOM 43 O UNL d 1 12.504 7.143 -15.520 0.00 0.00 -0.357 OA ATOM 44 H UNL d 1 11.676 7.613 -15.361 0.00 0.00 0.217 HD ENDBRANCH 9 43 TORSDOF 11