REMARK VINA RESULT: -4.2 1.701 3.436 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 39.108 -39.971 -45.245 0.00 0.00 0.055 A ATOM 2 C UNL d 1 37.764 -40.198 -44.908 0.00 0.00 0.055 A ATOM 3 C UNL d 1 39.784 -40.873 -46.080 0.00 0.00 0.018 A ATOM 4 C UNL d 1 37.137 -41.368 -45.360 0.00 0.00 0.018 A ATOM 5 C UNL d 1 39.142 -42.024 -46.538 0.00 0.00 0.001 A ATOM 6 C UNL d 1 37.824 -42.280 -46.167 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 36.964 -39.277 -44.067 0.00 0.00 0.294 C ATOM 8 O UNL d 1 36.946 -39.345 -42.847 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 36.239 -38.439 -44.843 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 35.731 -37.262 -44.196 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 35.546 -36.203 -45.247 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 34.844 -36.497 -46.423 0.00 0.00 0.009 A ATOM 13 C UNL d 1 34.864 -35.606 -47.494 0.00 0.00 0.001 A ATOM 14 C UNL d 1 35.576 -34.412 -47.392 0.00 0.00 0.000 A ATOM 15 C UNL d 1 36.224 -34.083 -46.204 0.00 0.00 0.001 A ATOM 16 C UNL d 1 36.203 -34.971 -45.130 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 39.911 -38.863 -44.675 0.00 0.00 0.294 C ATOM 18 O UNL d 1 40.161 -38.745 -43.491 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 40.153 -37.978 -45.665 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 39.257 -36.866 -45.804 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 38.998 -36.664 -47.293 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 37.965 -37.668 -47.811 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 38.564 -38.676 -48.774 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9