REMARK VINA RESULT: -4.5 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 18.263 -29.821 -3.342 0.00 0.00 0.055 A ATOM 2 C UNL d 1 18.540 -31.019 -2.665 0.00 0.00 0.055 A ATOM 3 C UNL d 1 17.709 -28.735 -2.648 0.00 0.00 0.018 A ATOM 4 C UNL d 1 18.189 -31.134 -1.312 0.00 0.00 0.018 A ATOM 5 C UNL d 1 17.382 -28.856 -1.297 0.00 0.00 0.001 A ATOM 6 C UNL d 1 17.608 -30.059 -0.632 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 19.161 -32.200 -3.310 0.00 0.00 0.294 C ATOM 8 O UNL d 1 18.510 -33.156 -3.704 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 20.508 -32.075 -3.323 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 21.232 -32.982 -2.476 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 21.490 -32.284 -1.169 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 21.157 -32.909 0.039 0.00 0.00 0.009 A ATOM 13 C UNL d 1 21.175 -32.188 1.231 0.00 0.00 0.001 A ATOM 14 C UNL d 1 21.536 -30.843 1.225 0.00 0.00 0.000 A ATOM 15 C UNL d 1 21.930 -30.229 0.037 0.00 0.00 0.001 A ATOM 16 C UNL d 1 21.915 -30.949 -1.156 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 18.429 -29.660 -4.806 0.00 0.00 0.294 C ATOM 18 O UNL d 1 19.507 -29.579 -5.363 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 17.204 -29.468 -5.340 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 16.334 -30.604 -5.445 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 14.942 -30.162 -5.004 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 14.659 -30.602 -3.565 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 15.091 -32.032 -3.297 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9