MODEL 1 REMARK VINA RESULT: -7.6 0.000 0.000 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 -1.427 -4.985 5.715 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -1.495 -6.182 6.440 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -0.293 -4.719 4.925 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -0.360 -7.002 6.518 0.00 0.00 0.018 C ATOM 5 C UNL d 1 0.809 -5.573 4.959 0.00 0.00 0.001 C ATOM 6 C UNL d 1 0.794 -6.687 5.794 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -2.385 -3.861 5.868 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -3.292 -3.660 5.078 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -1.926 -3.001 6.810 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -2.376 -1.630 6.766 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -1.370 -0.663 6.148 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 0.088 -1.092 6.296 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 0.800 -1.369 4.974 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 -2.716 -6.634 7.135 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -3.469 -7.485 6.695 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -2.909 -5.881 8.249 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -4.237 -5.366 8.460 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -5.111 -6.323 9.270 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -4.324 -7.139 10.294 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -5.036 -7.194 11.640 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10 ENDMDL MODEL 2 REMARK VINA RESULT: -7.6 0.104 5.570 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 -1.381 -6.085 6.563 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -1.297 -4.891 5.834 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -0.288 -6.972 6.563 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -0.210 -4.689 4.971 0.00 0.00 0.018 C ATOM 5 C UNL d 1 0.819 -6.733 5.749 0.00 0.00 0.001 C ATOM 6 C UNL d 1 0.835 -5.618 4.916 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -2.627 -6.596 7.188 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -3.355 -7.401 6.633 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -2.928 -5.845 8.275 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -4.287 -5.390 8.440 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -5.149 -6.299 9.312 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -4.360 -7.148 10.306 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -5.015 -7.277 11.680 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 -2.304 -3.818 5.930 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -3.257 -3.714 5.176 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -1.936 -2.933 6.892 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -2.415 -1.583 6.749 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -1.360 -0.649 6.158 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 0.069 -1.155 6.350 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 0.800 -1.301 5.021 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10 ENDMDL MODEL 3 REMARK VINA RESULT: -7.1 1.760 6.102 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 -2.318 -5.584 6.573 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -2.893 -4.370 6.972 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -2.879 -6.794 7.020 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -3.893 -4.376 7.956 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -3.917 -6.792 7.952 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -4.389 -5.584 8.457 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -1.019 -5.699 5.862 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -0.829 -5.207 4.763 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -0.244 -6.621 6.483 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 1.017 -6.977 5.877 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 1.714 -8.163 6.538 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 1.538 -9.487 5.798 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 2.757 -10.405 5.853 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 -2.498 -3.067 6.404 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -2.796 -2.701 5.280 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -1.678 -2.422 7.273 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -1.217 -1.116 6.881 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 0.280 -1.093 6.577 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 0.602 -1.374 5.109 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 1.353 -2.687 4.938 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10 ENDMDL MODEL 4 REMARK VINA RESULT: -7.1 1.766 4.512 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 -2.814 -4.427 7.144 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -2.279 -5.658 6.739 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -3.885 -4.406 8.057 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -2.938 -6.843 7.098 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -4.496 -5.594 8.460 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -4.054 -6.808 7.941 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -2.466 -3.122 6.527 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -2.840 -2.806 5.410 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -1.498 -2.519 7.259 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -1.055 -1.205 6.861 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 0.404 -1.146 6.417 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 0.656 -1.689 5.013 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 1.592 -2.895 4.964 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 -1.042 -5.775 5.944 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -0.873 -5.226 4.869 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -0.202 -6.662 6.540 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 1.034 -6.942 5.858 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 1.794 -8.110 6.485 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 1.491 -9.453 5.822 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 2.720 -10.353 5.784 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10 ENDMDL MODEL 5 REMARK VINA RESULT: -7.1 1.971 3.123 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 1.553 -5.595 4.962 0.00 0.00 0.055 C ATOM 2 C UNL d 1 0.371 -5.985 5.606 0.00 0.00 0.055 C ATOM 3 C UNL d 1 2.662 -6.461 4.968 0.00 0.00 0.018 C ATOM 4 C UNL d 1 0.375 -7.139 6.404 0.00 0.00 0.018 C ATOM 5 C UNL d 1 2.636 -7.640 5.713 0.00 0.00 0.001 C ATOM 6 C UNL d 1 1.511 -7.953 6.471 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 1.802 -4.231 4.429 0.00 0.00 0.294 C ATOM 8 O UNL d 1 2.338 -4.037 3.351 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 1.602 -3.319 5.411 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 0.902 -2.100 5.083 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 0.368 -1.341 6.295 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -1.036 -0.770 6.109 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -2.148 -1.625 6.711 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 -0.894 -5.238 5.488 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -1.304 -4.760 4.444 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -1.445 -5.079 6.720 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -2.869 -5.267 6.822 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -3.244 -6.712 7.149 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -4.214 -6.833 8.324 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -4.763 -5.475 8.742 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10 ENDMDL MODEL 6 REMARK VINA RESULT: -7.0 1.993 5.530 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 0.389 -5.972 5.688 0.00 0.00 0.055 C ATOM 2 C UNL d 1 1.588 -5.660 5.033 0.00 0.00 0.055 C ATOM 3 C UNL d 1 0.295 -7.167 6.425 0.00 0.00 0.018 C ATOM 4 C UNL d 1 2.603 -6.625 4.964 0.00 0.00 0.018 C ATOM 5 C UNL d 1 1.335 -8.096 6.403 0.00 0.00 0.001 C ATOM 6 C UNL d 1 2.467 -7.847 5.632 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -0.882 -5.226 5.505 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -1.234 -4.788 4.423 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -1.394 -4.900 6.717 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -2.804 -5.106 6.944 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -3.202 -6.570 7.110 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -4.156 -6.834 8.272 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -4.899 -5.595 8.769 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 1.844 -4.350 4.405 0.00 0.00 0.294 C ATOM 15 O UNL d 1 2.182 -4.211 3.242 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 1.756 -3.371 5.343 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 1.026 -2.186 4.976 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 0.435 -1.466 6.188 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -0.889 -0.766 5.886 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -2.045 -1.387 6.660 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10 ENDMDL MODEL 7 REMARK VINA RESULT: -6.9 1.109 4.538 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 -3.675 -4.420 7.666 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -3.576 -5.814 7.778 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -4.526 -3.716 8.538 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -4.461 -6.498 8.623 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -5.360 -4.402 9.421 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -5.363 -5.794 9.428 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -3.096 -3.629 6.551 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -3.344 -3.866 5.381 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -2.098 -2.844 7.025 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -2.165 -1.424 6.777 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -0.840 -0.801 6.348 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 0.245 -1.815 5.994 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 0.942 -1.550 4.661 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 -2.573 -6.610 7.046 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -2.820 -7.669 6.495 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -1.348 -6.039 7.187 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -0.346 -6.409 6.223 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -0.199 -5.373 5.108 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 1.230 -5.251 4.582 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 2.127 -6.357 5.126 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10 ENDMDL MODEL 8 REMARK VINA RESULT: -6.9 1.107 5.601 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 -3.621 -5.837 7.609 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -3.722 -4.441 7.533 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -4.434 -6.540 8.517 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -4.487 -3.756 8.488 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -5.241 -5.853 9.423 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -5.229 -4.461 9.442 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -2.564 -6.635 6.937 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -2.760 -7.766 6.526 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -1.363 -6.032 7.109 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -0.296 -6.353 6.192 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -0.076 -5.309 5.101 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 1.316 -5.341 4.473 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 2.279 -6.327 5.129 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 -3.058 -3.642 6.485 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -3.273 -3.777 5.293 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -2.117 -2.842 7.052 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -2.270 -1.424 6.858 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -1.088 -0.807 6.110 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 0.171 -1.672 6.154 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 0.896 -1.681 4.814 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10 ENDMDL MODEL 9 REMARK VINA RESULT: -6.9 1.473 5.214 REMARK 10 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_9 REMARK 2 A between atoms: O_1 and C_15 REMARK 3 A between atoms: O_2 and C_10 REMARK 4 A between atoms: O_2 and C_16 REMARK 5 A between atoms: C_5 and C_7 REMARK 6 A between atoms: C_5 and C_9 REMARK 7 A between atoms: C_6 and C_8 REMARK 8 A between atoms: C_6 and C_10 REMARK 9 A between atoms: C_11 and C_15 REMARK 10 A between atoms: C_12 and C_16 ROOT ATOM 1 C UNL d 1 -1.362 -2.319 6.404 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -0.881 -3.339 5.571 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -0.597 -1.151 6.577 0.00 0.00 0.018 C ATOM 4 C UNL d 1 0.430 -3.262 5.079 0.00 0.00 0.018 C ATOM 5 C UNL d 1 0.683 -1.055 6.032 0.00 0.00 0.001 C ATOM 6 C UNL d 1 1.215 -2.131 5.325 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -2.543 -2.455 7.294 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -3.275 -1.516 7.558 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -2.493 -3.649 7.933 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -3.722 -4.203 8.448 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -3.876 -5.704 8.218 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -4.715 -6.419 9.275 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -6.096 -5.808 9.499 0.00 0.00 0.005 C ENDBRANCH 11 12 ENDBRANCH 10 11 ENDBRANCH 9 10 ENDBRANCH 7 9 ENDBRANCH 1 7 BRANCH 2 14 ATOM 14 C UNL d 1 -1.694 -4.506 5.177 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -2.892 -4.455 4.964 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -0.925 -5.625 5.208 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -0.868 -6.338 6.457 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 0.373 -7.224 6.567 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 1.481 -6.833 5.590 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 2.784 -7.561 5.896 0.00 0.00 0.005 C ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 14 16 ENDBRANCH 2 14 TORSDOF 10 ENDMDL