REMARK VINA RESULT: -6.6 1.542 6.053 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 -19.863 20.128 -25.844 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -19.385 20.677 -24.644 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -21.213 20.275 -26.194 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -20.288 21.309 -23.776 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -22.097 20.923 -25.330 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -21.639 21.427 -24.116 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -17.968 20.603 -24.216 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -17.548 19.730 -23.471 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -17.271 21.653 -24.709 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -16.055 21.982 -24.019 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -14.905 21.622 -24.917 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -14.449 22.539 -25.874 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -13.547 22.136 -26.857 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -13.088 20.821 -26.884 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -13.487 19.920 -25.899 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -14.387 20.321 -24.912 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 -19.032 19.289 -26.739 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -18.369 18.341 -26.361 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -19.035 19.862 -27.962 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -18.200 21.011 -28.164 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -16.749 20.556 -28.042 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -15.981 20.824 -29.338 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -16.446 19.944 -30.484 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9