REMARK VINA RESULT: -5.6 1.948 5.554 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 15.604 43.830 24.491 0.00 0.00 0.055 A ATOM 2 C UNL d 1 15.637 45.073 25.143 0.00 0.00 0.055 A ATOM 3 C UNL d 1 16.279 42.731 25.042 0.00 0.00 0.018 A ATOM 4 C UNL d 1 16.408 45.212 26.306 0.00 0.00 0.018 A ATOM 5 C UNL d 1 17.027 42.879 26.212 0.00 0.00 0.001 A ATOM 6 C UNL d 1 17.104 44.121 26.836 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 14.921 46.275 24.652 0.00 0.00 0.294 C ATOM 8 O UNL d 1 15.216 46.840 23.610 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 13.980 46.660 25.546 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 12.760 45.902 25.540 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 12.573 45.321 26.913 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 12.179 46.144 27.976 0.00 0.00 0.009 A ATOM 13 C UNL d 1 12.227 45.670 29.286 0.00 0.00 0.001 A ATOM 14 C UNL d 1 12.657 44.369 29.540 0.00 0.00 0.000 A ATOM 15 C UNL d 1 12.990 43.523 28.484 0.00 0.00 0.001 A ATOM 16 C UNL d 1 12.941 43.994 27.173 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 14.970 43.625 23.167 0.00 0.00 0.294 C ATOM 18 O UNL d 1 15.523 43.849 22.107 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 13.673 43.314 23.375 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 13.264 41.959 23.143 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 12.480 41.496 24.367 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 13.112 40.245 24.981 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 13.651 40.489 26.378 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9