REMARK VINA RESULT: -8.0 1.938 6.484 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 4.083 4.124 3.424 0.00 0.00 0.055 A ATOM 2 C UNL d 1 4.404 2.763 3.308 0.00 0.00 0.055 A ATOM 3 C UNL d 1 4.707 5.066 2.593 0.00 0.00 0.018 A ATOM 4 C UNL d 1 5.402 2.373 2.402 0.00 0.00 0.018 A ATOM 5 C UNL d 1 5.685 4.662 1.683 0.00 0.00 0.001 A ATOM 6 C UNL d 1 6.043 3.320 1.597 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 3.765 1.698 4.117 0.00 0.00 0.294 C ATOM 8 O UNL d 1 2.561 1.491 4.105 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 4.688 1.072 4.885 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 5.240 1.847 5.961 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 6.605 2.315 5.536 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 6.849 3.680 5.339 0.00 0.00 0.009 A ATOM 13 C UNL d 1 8.029 4.101 4.728 0.00 0.00 0.001 A ATOM 14 C UNL d 1 8.975 3.162 4.323 0.00 0.00 0.000 A ATOM 15 C UNL d 1 8.770 1.807 4.573 0.00 0.00 0.001 A ATOM 16 C UNL d 1 7.591 1.384 5.186 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 3.177 4.657 4.469 0.00 0.00 0.294 C ATOM 18 O UNL d 1 3.508 4.845 5.624 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 1.936 4.731 3.941 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 1.320 6.024 3.858 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 0.222 6.081 4.915 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 0.630 6.986 6.080 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 0.431 6.324 7.430 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9