REMARK VINA RESULT: -4.1 2.034 5.608 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 21.170 -32.313 0.564 0.00 0.00 0.055 A ATOM 2 C UNL d 1 20.559 -31.146 1.049 0.00 0.00 0.055 A ATOM 3 C UNL d 1 21.279 -33.443 1.387 0.00 0.00 0.018 A ATOM 4 C UNL d 1 20.125 -31.108 2.382 0.00 0.00 0.018 A ATOM 5 C UNL d 1 20.826 -33.398 2.706 0.00 0.00 0.001 A ATOM 6 C UNL d 1 20.263 -32.228 3.209 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 20.367 -29.922 0.235 0.00 0.00 0.294 C ATOM 8 O UNL d 1 20.916 -28.862 0.496 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 19.470 -30.149 -0.753 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 18.404 -29.193 -0.867 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 17.442 -29.701 -1.905 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 16.321 -30.446 -1.517 0.00 0.00 0.009 A ATOM 13 C UNL d 1 15.556 -31.113 -2.473 0.00 0.00 0.001 A ATOM 14 C UNL d 1 15.899 -31.028 -3.820 0.00 0.00 0.000 A ATOM 15 C UNL d 1 16.975 -30.237 -4.221 0.00 0.00 0.001 A ATOM 16 C UNL d 1 17.740 -29.568 -3.267 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 21.820 -32.394 -0.766 0.00 0.00 0.294 C ATOM 18 O UNL d 1 22.814 -31.766 -1.077 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 21.030 -33.142 -1.566 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 20.662 -32.599 -2.841 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 19.227 -33.030 -3.131 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 18.505 -33.430 -1.842 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 17.312 -34.332 -2.099 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9