REMARK VINA RESULT: -6.8 1.780 5.280 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 -6.611 -3.237 -1.417 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -7.392 -2.267 -0.770 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -5.996 -2.941 -2.642 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -7.602 -1.031 -1.399 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -6.198 -1.700 -3.248 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -7.012 -0.750 -2.636 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -8.044 -2.482 0.544 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -9.190 -2.891 0.653 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -7.219 -2.099 1.546 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -7.801 -2.062 2.859 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -7.104 -3.096 3.700 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -6.336 -2.703 4.803 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -5.507 -3.621 5.444 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -5.449 -4.938 4.994 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -6.257 -5.354 3.938 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -7.089 -4.438 3.296 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 -6.476 -4.629 -0.925 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -7.415 -5.328 -0.598 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -5.159 -4.885 -0.769 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -4.681 -5.152 0.557 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -4.137 -3.844 1.124 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -3.268 -3.120 0.094 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -3.702 -1.683 -0.128 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9