REMARK VINA RESULT: -4.5 2.097 5.322 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 12.855 41.478 26.855 0.00 0.00 0.055 C ATOM 2 C UNL d 1 13.455 40.717 25.843 0.00 0.00 0.055 C ATOM 3 C UNL d 1 11.967 40.856 27.752 0.00 0.00 0.018 C ATOM 4 C UNL d 1 13.019 39.402 25.623 0.00 0.00 0.018 C ATOM 5 C UNL d 1 11.585 39.527 27.565 0.00 0.00 0.001 C ATOM 6 C UNL d 1 12.073 38.817 26.471 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 12.926 42.958 26.941 0.00 0.00 0.294 C ATOM 8 O UNL d 1 12.594 43.685 26.020 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 13.643 43.313 28.035 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 13.206 44.457 28.800 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 11.897 44.241 29.554 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 12.038 44.253 31.074 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 12.748 45.485 31.630 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 14.539 41.232 24.984 0.00 0.00 0.294 C ATOM 15 O UNL d 1 14.427 41.404 23.783 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 15.675 41.365 25.718 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 16.447 42.560 25.504 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 16.966 43.160 26.811 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 16.986 44.688 26.807 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 15.804 45.265 26.040 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10