REMARK VINA RESULT: -8.1 1.887 3.433 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 4.905 2.534 3.300 0.00 0.00 0.055 A ATOM 2 C UNL d 1 4.331 3.798 3.094 0.00 0.00 0.055 A ATOM 3 C UNL d 1 6.165 2.238 2.759 0.00 0.00 0.018 A ATOM 4 C UNL d 1 5.003 4.727 2.286 0.00 0.00 0.018 A ATOM 5 C UNL d 1 6.831 3.179 1.972 0.00 0.00 0.001 A ATOM 6 C UNL d 1 6.245 4.418 1.723 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 3.025 4.207 3.662 0.00 0.00 0.294 C ATOM 8 O UNL d 1 1.957 3.882 3.165 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 3.209 5.019 4.729 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 2.424 6.222 4.748 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 1.796 6.339 6.109 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 2.540 6.029 7.254 0.00 0.00 0.009 A ATOM 13 C UNL d 1 1.909 5.911 8.491 0.00 0.00 0.001 A ATOM 14 C UNL d 1 0.534 6.114 8.592 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -0.204 6.486 7.470 0.00 0.00 0.001 A ATOM 16 C UNL d 1 0.426 6.606 6.232 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 4.199 1.425 3.985 0.00 0.00 0.294 C ATOM 18 O UNL d 1 3.068 1.070 3.715 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 4.969 1.023 5.020 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 5.456 2.027 5.921 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 6.898 1.674 6.271 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 7.872 2.685 5.663 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 9.022 2.020 4.929 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9