REMARK VINA RESULT: -6.8 1.815 5.352 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 -5.906 -2.935 -2.010 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -7.009 -2.931 -1.141 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -5.602 -1.792 -2.763 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -7.834 -1.799 -1.093 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -6.421 -0.664 -2.691 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -7.545 -0.672 -1.869 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -7.378 -4.080 -0.281 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -7.545 -5.208 -0.720 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -7.558 -3.673 0.997 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -7.886 -4.701 1.946 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -7.131 -4.413 3.214 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -6.957 -3.092 3.643 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -6.072 -2.801 4.679 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -5.364 -3.829 5.299 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -5.578 -5.153 4.921 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -6.465 -5.447 3.886 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 -5.080 -4.139 -2.266 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -5.204 -4.852 -3.243 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -4.319 -4.358 -1.173 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -4.158 -5.712 -0.728 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -4.339 -5.726 0.786 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -3.876 -4.405 1.405 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -2.820 -4.602 2.478 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9