REMARK VINA RESULT: -4.5 0.168 6.656 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 44.841 63.631 58.783 0.00 0.00 0.055 C ATOM 2 C UNL d 1 45.700 63.243 57.746 0.00 0.00 0.055 C ATOM 3 C UNL d 1 45.171 63.308 60.112 0.00 0.00 0.018 C ATOM 4 C UNL d 1 46.769 62.380 58.030 0.00 0.00 0.018 C ATOM 5 C UNL d 1 46.273 62.500 60.392 0.00 0.00 0.001 C ATOM 6 C UNL d 1 47.042 61.996 59.346 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 43.483 64.196 58.575 0.00 0.00 0.294 C ATOM 8 O UNL d 1 43.246 65.387 58.677 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 42.576 63.189 58.537 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 41.520 63.180 59.521 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 41.751 62.210 60.676 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 40.849 62.447 61.885 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 39.505 63.088 61.550 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 45.540 63.702 56.354 0.00 0.00 0.294 C ATOM 15 O UNL d 1 44.801 63.167 55.546 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 46.413 64.713 56.105 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 47.108 64.673 54.845 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 48.554 64.199 54.991 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 48.872 62.964 54.148 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 48.237 61.707 54.728 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10