MODEL 1 REMARK VINA RESULT: -6.8 0.000 0.000 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 -16.137 21.632 -25.797 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -16.397 20.383 -26.382 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -15.536 22.649 -26.551 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -15.984 20.150 -27.702 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -15.147 22.410 -27.870 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -15.357 21.157 -28.441 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -17.064 19.267 -25.670 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -16.554 18.689 -24.722 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -18.243 18.967 -26.264 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -19.151 20.065 -26.449 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -20.093 20.084 -25.277 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -20.506 18.881 -24.688 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -21.547 18.874 -23.762 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -22.173 20.068 -23.410 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -21.726 21.276 -23.942 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -20.683 21.286 -24.867 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 -16.370 21.919 -24.361 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -17.471 21.958 -23.846 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -15.187 22.268 -23.813 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -14.250 21.222 -23.519 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -12.858 21.735 -23.873 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -12.520 21.434 -25.335 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -12.760 19.982 -25.703 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9 ENDMDL MODEL 2 REMARK VINA RESULT: -6.8 1.327 6.071 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 -19.612 19.544 -25.190 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -19.527 20.855 -24.697 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -20.736 18.757 -24.901 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -20.545 21.336 -23.860 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -21.751 19.254 -24.082 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -21.650 20.536 -23.549 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -18.396 21.769 -24.987 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -18.421 22.583 -25.897 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -17.358 21.510 -24.157 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -16.286 22.465 -24.175 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -15.117 21.831 -24.878 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -14.400 22.553 -25.840 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -13.473 21.908 -26.655 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -13.249 20.540 -26.506 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -13.911 19.827 -25.509 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -14.837 20.471 -24.691 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 -18.511 18.884 -25.931 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -17.461 18.540 -25.424 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -18.834 18.893 -27.243 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -18.439 20.030 -28.022 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -16.921 20.154 -27.924 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -16.424 21.397 -28.665 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -15.386 21.069 -29.723 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9 ENDMDL MODEL 3 REMARK VINA RESULT: -6.6 1.907 6.129 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 -18.097 20.575 -25.232 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -17.446 19.916 -26.287 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -17.671 20.376 -23.911 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -16.416 19.011 -25.992 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -16.632 19.486 -23.633 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -16.014 18.792 -24.670 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -17.805 20.099 -27.713 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -18.901 19.800 -28.162 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -16.742 20.563 -28.410 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -16.395 21.939 -28.188 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -15.086 21.969 -27.448 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -13.974 21.290 -27.962 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -12.834 21.117 -27.180 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -12.793 21.632 -25.886 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -13.871 22.364 -25.390 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -15.012 22.540 -26.171 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 -19.307 21.409 -25.422 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -19.280 22.602 -25.660 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -20.383 20.648 -25.129 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -21.479 21.271 -24.446 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -22.231 20.182 -23.687 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -21.416 18.888 -23.636 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -20.758 18.666 -22.287 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9 ENDMDL MODEL 4 REMARK VINA RESULT: -6.6 1.542 6.053 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 -19.863 20.128 -25.844 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -19.385 20.677 -24.644 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -21.213 20.275 -26.194 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -20.288 21.309 -23.776 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -22.097 20.923 -25.330 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -21.639 21.427 -24.116 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -17.968 20.603 -24.216 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -17.548 19.730 -23.471 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -17.271 21.653 -24.709 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -16.055 21.982 -24.019 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -14.905 21.622 -24.917 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -14.449 22.539 -25.874 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -13.547 22.136 -26.857 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -13.088 20.821 -26.884 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -13.487 19.920 -25.899 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -14.387 20.321 -24.912 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 -19.032 19.289 -26.739 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -18.369 18.341 -26.361 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -19.035 19.862 -27.962 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -18.200 21.011 -28.164 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -16.749 20.556 -28.042 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -15.981 20.824 -29.338 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -16.446 19.944 -30.484 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9 ENDMDL MODEL 5 REMARK VINA RESULT: -6.5 1.427 1.899 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 -16.466 21.492 -25.973 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -16.938 20.190 -25.748 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -16.727 22.133 -27.193 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -17.608 19.520 -26.782 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -17.412 21.462 -28.207 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -17.840 20.151 -28.008 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -16.742 19.455 -24.475 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -15.660 19.002 -24.134 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -17.921 19.318 -23.825 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -18.612 20.538 -23.511 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -20.048 20.372 -23.925 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -20.831 19.363 -23.351 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -22.080 19.053 -23.887 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -22.557 19.756 -24.991 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -21.812 20.804 -25.528 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -20.564 21.118 -24.992 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 -15.596 22.216 -25.015 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -15.996 22.727 -23.986 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -14.371 22.325 -25.572 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -13.357 21.404 -25.145 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -13.088 20.445 -26.300 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -12.522 21.190 -27.510 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -13.527 21.316 -28.640 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9 ENDMDL MODEL 6 REMARK VINA RESULT: -6.5 1.723 3.946 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 -14.840 21.212 -26.559 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -15.311 21.224 -25.237 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -13.661 20.523 -26.878 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -14.551 20.599 -24.238 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -12.924 19.888 -25.877 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -13.360 19.938 -24.555 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -16.566 21.893 -24.820 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -16.669 23.107 -24.730 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -17.508 20.974 -24.506 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -18.523 21.403 -23.585 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -19.806 20.714 -23.962 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -20.727 21.356 -24.800 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -22.007 20.832 -24.967 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -22.370 19.658 -24.310 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -21.439 18.979 -23.526 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -20.157 19.500 -23.358 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 -15.470 21.991 -27.652 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -15.312 23.185 -27.814 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -16.336 21.176 -28.292 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -17.658 21.670 -28.546 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -18.636 20.803 -27.759 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -18.053 19.410 -27.510 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -18.911 18.578 -26.575 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9 ENDMDL MODEL 7 REMARK VINA RESULT: -6.5 1.950 3.980 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 -15.094 20.788 -26.720 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -15.752 20.767 -25.481 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -13.736 20.444 -26.800 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -15.018 20.466 -24.324 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -13.022 20.128 -25.643 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -13.658 20.153 -24.404 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -17.192 21.077 -25.312 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -17.616 22.219 -25.228 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -17.910 19.935 -25.202 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -18.863 19.687 -26.248 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -20.227 19.618 -25.620 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -21.226 20.518 -26.010 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -22.409 20.615 -25.280 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -22.604 19.805 -24.163 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -21.643 18.862 -23.805 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -20.460 18.762 -24.536 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 -15.733 21.265 -27.970 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -15.816 22.436 -28.287 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -16.314 20.202 -28.567 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -17.050 20.433 -29.777 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -16.261 19.810 -30.924 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -15.479 20.877 -31.694 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -14.018 20.937 -31.287 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9 ENDMDL MODEL 8 REMARK VINA RESULT: -6.5 2.184 4.376 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 -15.078 20.719 -26.765 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -15.764 20.544 -25.553 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -13.703 20.456 -26.839 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -15.042 20.171 -24.410 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -12.999 20.068 -25.697 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -13.664 19.939 -24.480 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -17.222 20.760 -25.397 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -17.730 21.871 -25.412 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -17.852 19.583 -25.176 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -18.747 19.145 -26.211 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -20.152 19.387 -25.734 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -20.947 20.358 -26.357 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -22.155 20.750 -25.783 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -22.581 20.166 -24.592 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -21.828 19.154 -23.999 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -20.620 18.759 -24.573 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 -15.713 21.280 -27.982 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -15.738 22.466 -28.250 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -16.362 20.276 -28.609 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -17.106 20.595 -29.793 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -18.516 20.987 -29.361 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -19.359 21.411 -30.566 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -20.818 21.019 -30.424 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9 ENDMDL MODEL 9 REMARK VINA RESULT: -6.5 1.508 5.370 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 -19.705 20.502 -24.855 0.00 0.00 0.055 A ATOM 2 C UNL d 1 -19.995 20.407 -26.225 0.00 0.00 0.055 A ATOM 3 C UNL d 1 -20.746 20.645 -23.926 0.00 0.00 0.018 A ATOM 4 C UNL d 1 -21.326 20.527 -26.650 0.00 0.00 0.018 A ATOM 5 C UNL d 1 -22.068 20.744 -24.361 0.00 0.00 0.001 A ATOM 6 C UNL d 1 -22.358 20.700 -25.722 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 -18.961 20.215 -27.270 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -18.599 19.110 -27.646 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -18.464 21.410 -27.666 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 -17.428 21.362 -28.660 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 -16.118 21.628 -27.972 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 -16.037 22.601 -26.968 0.00 0.00 0.009 A ATOM 13 C UNL d 1 -14.795 23.015 -26.490 0.00 0.00 0.001 A ATOM 14 C UNL d 1 -13.629 22.451 -27.003 0.00 0.00 0.000 A ATOM 15 C UNL d 1 -13.703 21.437 -27.956 0.00 0.00 0.001 A ATOM 16 C UNL d 1 -14.944 21.019 -28.435 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 -18.324 20.567 -24.321 0.00 0.00 0.294 C ATOM 18 O UNL d 1 -17.752 21.603 -24.040 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 -17.805 19.321 -24.366 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 -16.464 19.137 -23.892 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 -15.519 19.420 -25.055 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 -14.140 19.849 -24.548 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 -14.195 21.110 -23.705 0.00 0.00 0.005 C ENDBRANCH 21 22 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 17 19 ENDBRANCH 1 17 TORSDOF 9 ENDMDL