REMARK VINA RESULT: -5.9 0.000 0.000 REMARK 9 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_7 REMARK 2 A between atoms: O_1 and C_11 REMARK 3 A between atoms: O_2 and C_13 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_6 REMARK 6 A between atoms: C_5 and C_7 REMARK 7 A between atoms: C_8 and C_11 REMARK 8 A between atoms: C_9 and C_16 REMARK 9 A between atoms: C_13 and C_14 ROOT ATOM 1 C UNL d 1 12.570 41.360 26.448 0.00 0.00 0.055 A ATOM 2 C UNL d 1 12.821 40.666 25.255 0.00 0.00 0.055 A ATOM 3 C UNL d 1 12.026 40.687 27.551 0.00 0.00 0.018 A ATOM 4 C UNL d 1 12.456 39.315 25.163 0.00 0.00 0.018 A ATOM 5 C UNL d 1 11.684 39.337 27.452 0.00 0.00 0.001 A ATOM 6 C UNL d 1 11.885 38.655 26.255 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 13.431 41.289 24.056 0.00 0.00 0.294 C ATOM 8 O UNL d 1 12.766 41.787 23.160 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 14.777 41.157 24.089 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 15.533 42.294 23.643 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 15.907 43.101 24.855 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 15.619 44.471 24.903 0.00 0.00 0.009 A ATOM 13 C UNL d 1 16.162 45.268 25.909 0.00 0.00 0.001 A ATOM 14 C UNL d 1 16.986 44.699 26.878 0.00 0.00 0.000 A ATOM 15 C UNL d 1 17.226 43.327 26.875 0.00 0.00 0.001 A ATOM 16 C UNL d 1 16.682 42.527 25.871 0.00 0.00 0.009 A ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 2 7 BRANCH 1 17 ATOM 17 C UNL d 1 12.753 42.825 26.588 0.00 0.00 0.294 C ATOM 18 O UNL d 1 12.294 43.643 25.814 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 13.620 43.038 27.601 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 13.528 44.280 28.312 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 12.547 44.082 29.463 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 12.416 45.359 30.296 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 12.882 45.173 31.728 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9