REMARK VINA RESULT: -4.9 2.637 6.831 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 43.876 66.783 54.741 0.00 0.00 0.055 A ATOM 2 C UNL d 1 42.900 67.064 55.709 0.00 0.00 0.055 A ATOM 3 C UNL d 1 44.348 67.803 53.902 0.00 0.00 0.018 A ATOM 4 C UNL d 1 42.359 68.357 55.775 0.00 0.00 0.018 A ATOM 5 C UNL d 1 43.814 69.089 53.991 0.00 0.00 0.001 A ATOM 6 C UNL d 1 42.810 69.364 54.916 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 42.375 66.057 56.662 0.00 0.00 0.294 C ATOM 8 O UNL d 1 41.328 65.455 56.476 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 43.176 65.975 57.749 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 43.030 64.793 58.551 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 44.041 63.787 58.075 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 43.654 62.760 57.204 0.00 0.00 0.009 A ATOM 13 C UNL d 1 44.518 61.699 56.942 0.00 0.00 0.001 A ATOM 14 C UNL d 1 45.776 61.663 57.539 0.00 0.00 0.000 A ATOM 15 C UNL d 1 46.194 62.712 58.356 0.00 0.00 0.001 A ATOM 16 C UNL d 1 45.332 63.776 58.617 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 44.379 65.414 54.472 0.00 0.00 0.294 C ATOM 18 O UNL d 1 43.787 64.593 53.799 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 45.488 65.228 55.220 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 46.329 64.110 54.904 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 47.770 64.518 55.197 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 48.756 63.536 54.561 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 48.130 62.184 54.273 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9