REMARK VINA RESULT: -5.6 2.135 4.676 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 15.832 44.509 24.706 0.00 0.00 0.055 A ATOM 2 C UNL d 1 16.019 43.118 24.727 0.00 0.00 0.055 A ATOM 3 C UNL d 1 16.316 45.298 25.759 0.00 0.00 0.018 A ATOM 4 C UNL d 1 16.630 42.530 25.844 0.00 0.00 0.018 A ATOM 5 C UNL d 1 16.940 44.702 26.856 0.00 0.00 0.001 A ATOM 6 C UNL d 1 17.084 43.317 26.906 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 15.576 42.215 23.638 0.00 0.00 0.294 C ATOM 8 O UNL d 1 15.870 42.398 22.467 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 14.772 41.243 24.130 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 13.376 41.569 24.226 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 13.081 41.906 25.662 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 12.529 43.150 25.992 0.00 0.00 0.009 A ATOM 13 C UNL d 1 12.468 43.560 27.322 0.00 0.00 0.001 A ATOM 14 C UNL d 1 12.945 42.725 28.330 0.00 0.00 0.000 A ATOM 15 C UNL d 1 13.437 41.459 28.016 0.00 0.00 0.001 A ATOM 16 C UNL d 1 13.498 41.046 26.686 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 15.042 45.205 23.662 0.00 0.00 0.294 C ATOM 18 O UNL d 1 15.529 45.730 22.679 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 13.763 45.274 24.090 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 13.038 46.486 23.841 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 13.377 47.466 24.959 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 12.165 47.708 25.861 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 12.399 47.249 27.289 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9