REMARK VINA RESULT: -7.6 1.763 4.488 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 1 111.956 88.073 50.462 0.00 0.00 0.055 A ATOM 2 C UNL d 1 112.704 88.036 51.649 0.00 0.00 0.055 A ATOM 3 C UNL d 1 110.774 88.825 50.400 0.00 0.00 0.018 A ATOM 4 C UNL d 1 112.216 88.702 52.783 0.00 0.00 0.018 A ATOM 5 C UNL d 1 110.309 89.499 51.530 0.00 0.00 0.001 A ATOM 6 C UNL d 1 111.021 89.426 52.725 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 113.983 87.300 51.790 0.00 0.00 0.294 C ATOM 8 O UNL d 1 115.064 87.864 51.862 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 113.764 85.965 51.755 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 114.268 85.216 52.872 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 113.149 85.065 53.865 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 113.347 85.418 55.206 0.00 0.00 0.009 A ATOM 13 C UNL d 1 112.404 85.069 56.171 0.00 0.00 0.001 A ATOM 14 C UNL d 1 111.254 84.376 55.801 0.00 0.00 0.000 A ATOM 15 C UNL d 1 111.018 84.076 54.460 0.00 0.00 0.001 A ATOM 16 C UNL d 1 111.958 84.426 53.493 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 1 112.290 87.261 49.268 0.00 0.00 0.294 C ATOM 18 O UNL d 1 113.105 87.592 48.427 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 111.434 86.218 49.225 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 111.890 85.001 48.617 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 111.711 83.880 49.635 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 113.045 83.188 49.926 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 112.916 82.086 50.961 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9