REMARK VINA RESULT: -4.9 2.152 6.009 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 9.661 -14.546 7.144 0.00 0.00 0.055 A ATOM 2 C UNL d 1 8.491 -15.185 7.583 0.00 0.00 0.055 A ATOM 3 C UNL d 1 10.915 -15.107 7.426 0.00 0.00 0.018 A ATOM 4 C UNL d 1 8.600 -16.346 8.363 0.00 0.00 0.018 A ATOM 5 C UNL d 1 11.009 -16.273 8.188 0.00 0.00 0.001 A ATOM 6 C UNL d 1 9.854 -16.884 8.668 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 7.126 -14.684 7.295 0.00 0.00 0.294 C ATOM 8 O UNL d 1 6.534 -13.915 8.037 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 6.646 -15.250 6.163 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 5.698 -16.314 6.345 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 6.043 -17.408 5.373 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 7.364 -17.567 4.935 0.00 0.00 0.009 A ATOM 13 C UNL d 1 7.652 -18.417 3.869 0.00 0.00 0.001 A ATOM 14 C UNL d 1 6.626 -19.122 3.244 0.00 0.00 0.000 A ATOM 15 C UNL d 1 5.318 -19.019 3.714 0.00 0.00 0.001 A ATOM 16 C UNL d 1 5.027 -18.170 4.781 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 9.660 -13.225 6.470 0.00 0.00 0.294 C ATOM 18 O UNL d 1 9.219 -12.209 6.970 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 10.077 -13.410 5.199 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 9.148 -13.982 4.267 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 9.840 -15.161 3.589 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 9.121 -15.546 2.294 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 9.621 -14.762 1.094 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9