REMARK VINA RESULT: 12.3 0.000 0.000 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 20.744 -6.979 2.282 0.00 0.00 0.055 A ATOM 2 C UNL d 1 21.776 -6.073 1.994 0.00 0.00 0.055 A ATOM 3 C UNL d 1 20.955 -8.011 3.208 0.00 0.00 0.018 A ATOM 4 C UNL d 1 23.032 -6.257 2.590 0.00 0.00 0.018 A ATOM 5 C UNL d 1 22.204 -8.172 3.810 0.00 0.00 0.001 A ATOM 6 C UNL d 1 23.246 -7.305 3.491 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 21.627 -4.931 1.059 0.00 0.00 0.294 C ATOM 8 O UNL d 1 20.622 -4.238 1.018 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 22.710 -4.838 0.254 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 23.469 -3.623 0.357 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 24.379 -3.546 -0.837 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 23.894 -3.867 -2.111 0.00 0.00 0.009 A ATOM 13 C UNL d 1 24.775 -4.024 -3.179 0.00 0.00 0.001 A ATOM 14 C UNL d 1 26.143 -3.849 -2.984 0.00 0.00 0.000 A ATOM 15 C UNL d 1 26.628 -3.466 -1.735 0.00 0.00 0.001 A ATOM 16 C UNL d 1 25.749 -3.307 -0.665 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 19.442 -6.979 1.572 0.00 0.00 0.294 C ATOM 18 O UNL d 1 19.204 -6.302 0.591 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 18.577 -7.719 2.298 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 18.095 -8.941 1.722 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 18.023 -9.980 2.837 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 18.164 -11.397 2.274 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 18.025 -11.441 0.764 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9