REMARK VINA RESULT: -5.6 1.850 5.294 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 15.909 43.121 24.888 0.00 0.00 0.055 A ATOM 2 C UNL d 1 15.181 42.725 26.021 0.00 0.00 0.055 A ATOM 3 C UNL d 1 16.977 44.020 25.018 0.00 0.00 0.018 A ATOM 4 C UNL d 1 15.495 43.293 27.264 0.00 0.00 0.018 A ATOM 5 C UNL d 1 17.291 44.563 26.265 0.00 0.00 0.001 A ATOM 6 C UNL d 1 16.542 44.212 27.385 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 14.065 41.750 25.979 0.00 0.00 0.294 C ATOM 8 O UNL d 1 14.213 40.565 26.234 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 12.928 42.355 25.564 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 11.800 42.248 26.446 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 11.890 43.370 27.444 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 11.990 44.695 27.003 0.00 0.00 0.009 A ATOM 13 C UNL d 1 12.304 45.712 27.902 0.00 0.00 0.001 A ATOM 14 C UNL d 1 12.509 45.413 29.247 0.00 0.00 0.000 A ATOM 15 C UNL d 1 12.349 44.107 29.706 0.00 0.00 0.001 A ATOM 16 C UNL d 1 12.032 43.088 28.809 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 15.543 42.719 23.508 0.00 0.00 0.294 C ATOM 18 O UNL d 1 15.647 41.585 23.081 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 15.244 43.840 22.818 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 13.872 44.061 22.462 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 13.303 45.090 23.434 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 14.257 46.277 23.596 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 14.466 46.663 25.048 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9