REMARK VINA RESULT: -4.1 1.257 5.992 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 44.820 63.838 58.811 0.00 0.00 0.055 C ATOM 2 C UNL d 1 45.584 63.410 57.717 0.00 0.00 0.055 C ATOM 3 C UNL d 1 45.213 63.474 60.113 0.00 0.00 0.018 C ATOM 4 C UNL d 1 46.608 62.474 57.921 0.00 0.00 0.018 C ATOM 5 C UNL d 1 46.275 62.591 60.311 0.00 0.00 0.001 C ATOM 6 C UNL d 1 46.939 62.053 59.213 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 43.493 64.494 58.698 0.00 0.00 0.294 C ATOM 8 O UNL d 1 43.357 65.629 58.273 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 42.569 63.763 59.368 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 41.432 63.257 58.637 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 41.779 62.187 57.605 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 41.251 62.474 56.202 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 41.036 63.955 55.901 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 45.365 63.898 56.342 0.00 0.00 0.294 C ATOM 15 O UNL d 1 44.531 63.435 55.584 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 46.298 64.839 56.041 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 47.030 64.656 54.815 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 48.478 64.233 55.060 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 48.879 62.980 54.281 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 47.989 61.793 54.624 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10