MODEL 1 REMARK VINA RESULT: -5.1 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 -1.315 13.930 -14.319 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -2.318 14.902 -14.438 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -0.140 14.053 -15.084 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -2.219 15.869 -15.449 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -0.022 15.057 -16.045 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -1.082 15.933 -16.261 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -1.476 12.649 -13.585 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -0.625 12.219 -12.825 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -2.528 11.964 -14.094 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -2.382 11.347 -15.390 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -1.727 9.969 -15.356 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -2.586 8.881 -14.716 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -2.026 7.468 -14.866 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 -3.489 14.963 -13.543 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -3.444 14.712 -12.351 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -4.605 15.223 -14.272 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -5.628 14.210 -14.274 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -5.522 13.278 -15.481 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -5.471 14.021 -16.815 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -4.194 13.710 -17.585 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: -5.0 0.157 4.305 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 -2.419 14.869 -14.499 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -1.406 13.907 -14.393 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -2.306 15.887 -15.464 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -0.215 14.082 -15.113 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -1.143 16.019 -16.222 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -0.079 15.146 -16.011 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -3.530 15.023 -13.526 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -3.407 14.757 -12.343 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -4.692 15.220 -14.195 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -5.668 14.157 -14.205 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -5.673 13.326 -15.486 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -5.349 14.119 -16.750 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -4.237 13.514 -17.604 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 -1.527 12.700 -13.553 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -0.699 12.366 -12.723 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -2.622 11.991 -13.932 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -2.528 11.271 -15.175 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -1.777 9.948 -15.027 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -2.698 8.760 -14.749 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -1.951 7.435 -14.838 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: -5.0 1.622 4.693 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 -1.890 14.994 -14.301 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -2.159 13.748 -13.718 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -2.742 16.081 -14.032 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -3.369 13.558 -13.036 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -3.915 15.897 -13.299 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -4.252 14.626 -12.844 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -0.870 15.220 -15.357 0.00 0.00 0.294 C ATOM 8 O UNL d 1 0.325 15.243 -15.119 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -1.480 15.647 -16.490 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -1.961 14.658 -17.425 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -3.347 14.955 -17.989 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -4.462 14.961 -16.946 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -5.074 13.589 -16.672 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 -1.222 12.611 -13.783 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -0.480 12.292 -12.870 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -1.244 12.075 -15.031 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -2.474 11.455 -15.448 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -2.739 10.138 -14.719 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -1.746 9.035 -15.086 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -2.271 7.656 -14.711 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: -5.0 1.603 2.791 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 -2.242 13.763 -13.975 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -2.097 15.075 -14.448 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -3.406 13.408 -13.268 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -3.019 16.053 -14.048 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -4.351 14.376 -12.928 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -4.132 15.706 -13.274 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -1.160 12.747 -13.987 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -0.375 12.614 -13.063 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -1.037 12.232 -15.235 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -1.817 11.066 -15.576 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -1.726 9.933 -14.557 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -2.682 8.772 -14.822 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -2.023 7.395 -14.783 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 -1.012 15.486 -15.358 0.00 0.00 0.294 C ATOM 15 O UNL d 1 0.158 15.564 -15.026 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -1.540 15.862 -16.553 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -1.983 14.807 -17.426 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -3.498 14.814 -17.627 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -4.144 13.448 -17.397 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -5.298 13.528 -16.407 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: -4.8 1.813 4.828 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 -3.162 12.288 -14.886 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -2.723 13.002 -13.763 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -2.529 11.079 -15.227 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -1.545 12.602 -13.114 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -1.394 10.654 -14.536 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -0.874 11.442 -13.513 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -4.132 12.811 -15.881 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -5.331 12.604 -15.799 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -3.462 13.277 -16.963 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -4.205 13.990 -17.975 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -4.412 15.471 -17.671 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -5.838 15.836 -17.267 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -6.029 16.060 -15.769 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 -3.444 14.168 -13.218 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -4.605 14.134 -12.850 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -2.655 15.271 -13.304 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -2.538 15.883 -14.602 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -1.082 16.085 -15.022 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -0.558 14.976 -15.933 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 0.714 14.347 -15.380 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: -4.8 1.825 2.687 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 0.195 14.048 -15.041 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -0.603 14.613 -16.046 0.00 0.00 0.055 C ATOM 3 C UNL d 1 1.537 14.454 -14.915 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -0.005 15.424 -17.021 0.00 0.00 0.018 C ATOM 5 C UNL d 1 2.108 15.312 -15.854 0.00 0.00 0.001 C ATOM 6 C UNL d 1 1.351 15.756 -16.934 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -0.210 12.889 -14.206 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -0.552 13.008 -13.042 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 0.121 11.738 -14.840 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -0.284 10.486 -14.246 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -1.785 10.217 -14.321 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -2.175 9.100 -15.286 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -2.094 7.697 -14.690 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 -2.060 14.398 -16.132 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -2.571 13.319 -16.376 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -2.703 15.589 -16.013 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -3.701 15.685 -14.981 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -3.088 15.757 -13.582 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -3.575 14.646 -12.653 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -4.436 13.630 -13.392 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: -4.7 1.879 4.192 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 -3.304 13.572 -15.215 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -2.500 14.493 -15.901 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -4.363 12.940 -15.892 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -2.879 14.909 -17.185 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -4.695 13.315 -17.194 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -3.984 14.335 -17.821 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -3.253 13.349 -13.748 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -3.345 14.260 -12.943 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -2.829 12.086 -13.497 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -1.411 11.820 -13.523 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -1.021 10.594 -14.344 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -2.198 9.878 -15.001 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -2.140 8.355 -14.907 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 -1.259 15.054 -15.336 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -1.210 16.102 -14.715 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -0.201 14.290 -15.716 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 1.030 14.485 -14.996 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 2.119 15.116 -15.865 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 1.809 15.053 -17.360 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 2.956 14.433 -18.148 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: -4.6 2.360 5.636 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 -2.386 12.871 -15.512 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -1.164 13.260 -14.947 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -2.925 11.611 -15.193 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -0.411 12.319 -14.229 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -2.196 10.703 -14.426 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -0.919 11.039 -13.987 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -3.078 13.613 -16.597 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -2.473 14.218 -17.466 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -4.396 13.724 -16.299 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -4.844 14.905 -15.601 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -5.657 14.616 -14.342 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -4.870 13.923 -13.232 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -3.735 14.761 -12.649 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 -0.621 14.626 -15.066 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -1.218 15.626 -14.707 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 0.565 14.587 -15.728 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 1.433 15.725 -15.570 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 2.341 15.599 -14.347 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 3.725 15.040 -14.678 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 4.095 15.281 -16.136 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: -4.6 2.405 4.886 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 -1.144 13.419 -15.076 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -2.354 13.002 -15.648 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -0.425 12.530 -14.256 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -2.919 11.784 -15.244 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -0.966 11.293 -13.908 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -2.235 10.942 -14.362 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -0.645 14.818 -15.105 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -1.296 15.754 -14.675 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 0.454 14.889 -15.894 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 1.498 15.819 -15.535 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 2.648 15.194 -14.751 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 4.020 15.379 -15.395 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 4.092 14.945 -16.857 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 -3.074 13.787 -16.669 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -2.533 14.305 -17.631 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -4.375 13.925 -16.302 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -4.699 15.065 -15.485 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -5.615 14.703 -14.316 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -4.904 13.919 -13.214 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -3.728 14.697 -12.638 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