REMARK VINA RESULT: -6.1 1.616 4.273 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 -4.917 -1.411 2.589 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -6.132 -1.934 2.119 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -4.304 -1.967 3.721 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -6.751 -2.969 2.836 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -4.922 -3.009 4.414 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -6.151 -3.500 3.982 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -6.827 -1.433 0.909 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -7.280 -0.301 0.829 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -6.931 -2.416 -0.015 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -6.366 -2.129 -1.305 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -5.201 -3.056 -1.513 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -4.068 -2.615 -2.208 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -3.090 -3.524 -2.605 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -3.232 -4.876 -2.300 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -4.324 -5.315 -1.553 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -5.303 -4.406 -1.153 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 -4.276 -0.206 2.010 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -4.489 0.928 2.394 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -3.572 -0.595 0.925 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -2.141 -0.512 0.990 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -1.576 -1.796 0.391 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -1.433 -2.882 1.460 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -2.458 -3.991 1.306 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9