REMARK VINA RESULT: -6.9 1.473 5.214 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 -1.362 -2.319 6.404 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -0.881 -3.339 5.571 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -0.597 -1.151 6.577 0.00 0.00 0.018 C ATOM 4 C UNL d 1 0.430 -3.262 5.079 0.00 0.00 0.018 C ATOM 5 C UNL d 1 0.683 -1.055 6.032 0.00 0.00 0.001 C ATOM 6 C UNL d 1 1.215 -2.131 5.325 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -2.543 -2.455 7.294 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -3.275 -1.516 7.558 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -2.493 -3.649 7.933 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -3.722 -4.203 8.448 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -3.876 -5.704 8.218 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -4.715 -6.419 9.275 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -6.096 -5.808 9.499 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 -1.694 -4.506 5.177 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -2.892 -4.455 4.964 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -0.925 -5.625 5.208 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -0.868 -6.338 6.457 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 0.373 -7.224 6.567 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 1.481 -6.833 5.590 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 2.784 -7.561 5.896 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10