MODEL 1 REMARK VINA RESULT: -5.1 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 9.068 -16.599 4.081 0.00 0.00 0.055 A ATOM 2 C UNL d 1 9.791 -16.040 5.146 0.00 0.00 0.055 A ATOM 3 C UNL d 1 8.905 -15.879 2.889 0.00 0.00 0.018 A ATOM 4 C UNL d 1 10.284 -14.733 5.023 0.00 0.00 0.018 A ATOM 5 C UNL d 1 9.416 -14.586 2.773 0.00 0.00 0.001 A ATOM 6 C UNL d 1 10.093 -14.007 3.843 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 10.046 -16.746 6.424 0.00 0.00 0.294 C ATOM 8 O UNL d 1 10.845 -17.665 6.524 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 9.231 -16.271 7.395 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 9.872 -15.880 8.619 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 10.288 -14.442 8.481 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 9.329 -13.457 8.211 0.00 0.00 0.009 A ATOM 13 C UNL d 1 9.727 -12.170 7.855 0.00 0.00 0.001 A ATOM 14 C UNL d 1 11.082 -11.857 7.777 0.00 0.00 0.000 A ATOM 15 C UNL d 1 12.042 -12.812 8.105 0.00 0.00 0.001 A ATOM 16 C UNL d 1 11.647 -14.100 8.465 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 8.357 -17.896 4.177 0.00 0.00 0.294 C ATOM 18 O UNL d 1 8.882 -18.975 3.981 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 7.044 -17.634 4.355 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 6.515 -17.737 5.684 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 5.476 -16.633 5.855 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 6.022 -15.499 6.726 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 6.630 -14.376 5.907 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: -5.1 1.754 5.400 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 10.466 -13.413 7.562 0.00 0.00 0.055 A ATOM 2 C UNL d 1 11.079 -14.583 8.036 0.00 0.00 0.055 A ATOM 3 C UNL d 1 11.116 -12.177 7.694 0.00 0.00 0.018 A ATOM 4 C UNL d 1 12.311 -14.486 8.699 0.00 0.00 0.018 A ATOM 5 C UNL d 1 12.350 -12.097 8.340 0.00 0.00 0.001 A ATOM 6 C UNL d 1 12.941 -13.248 8.855 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 10.482 -15.934 7.902 0.00 0.00 0.294 C ATOM 8 O UNL d 1 10.030 -16.552 8.853 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 10.583 -16.369 6.625 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 10.187 -17.730 6.391 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 8.902 -17.706 5.611 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 7.729 -17.221 6.204 0.00 0.00 0.009 A ATOM 13 C UNL d 1 6.498 -17.407 5.580 0.00 0.00 0.001 A ATOM 14 C UNL d 1 6.431 -18.067 4.355 0.00 0.00 0.000 A ATOM 15 C UNL d 1 7.599 -18.496 3.727 0.00 0.00 0.001 A ATOM 16 C UNL d 1 8.833 -18.310 4.349 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 9.090 -13.385 7.010 0.00 0.00 0.294 C ATOM 18 O UNL d 1 8.103 -13.734 7.627 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 9.179 -13.066 5.700 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 8.682 -14.014 4.745 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 9.840 -14.394 3.827 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 9.359 -15.289 2.683 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 9.795 -14.780 1.321 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: -5.0 1.599 3.557 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 9.239 -17.816 6.424 0.00 0.00 0.055 A ATOM 2 C UNL d 1 8.869 -16.830 7.351 0.00 0.00 0.055 A ATOM 3 C UNL d 1 10.543 -18.332 6.429 0.00 0.00 0.018 A ATOM 4 C UNL d 1 9.839 -16.324 8.230 0.00 0.00 0.018 A ATOM 5 C UNL d 1 11.493 -17.833 7.322 0.00 0.00 0.001 A ATOM 6 C UNL d 1 11.146 -16.819 8.212 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 7.504 -16.259 7.441 0.00 0.00 0.294 C ATOM 8 O UNL d 1 6.645 -16.714 8.181 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 7.360 -15.243 6.558 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 7.179 -13.936 7.126 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 8.533 -13.292 7.235 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 9.428 -13.354 6.159 0.00 0.00 0.009 A ATOM 13 C UNL d 1 10.756 -12.967 6.328 0.00 0.00 0.001 A ATOM 14 C UNL d 1 11.194 -12.506 7.568 0.00 0.00 0.000 A ATOM 15 C UNL d 1 10.296 -12.381 8.626 0.00 0.00 0.001 A ATOM 16 C UNL d 1 8.966 -12.765 8.459 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 8.343 -18.286 5.340 0.00 0.00 0.294 C ATOM 18 O UNL d 1 7.357 -18.974 5.524 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 8.909 -17.948 4.162 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 8.538 -16.691 3.577 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 9.765 -15.787 3.608 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 9.617 -14.629 2.617 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 9.459 -15.105 1.184 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: -4.9 2.152 6.009 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 9.661 -14.546 7.144 0.00 0.00 0.055 A ATOM 2 C UNL d 1 8.491 -15.185 7.583 0.00 0.00 0.055 A ATOM 3 C UNL d 1 10.915 -15.107 7.426 0.00 0.00 0.018 A ATOM 4 C UNL d 1 8.600 -16.346 8.363 0.00 0.00 0.018 A ATOM 5 C UNL d 1 11.009 -16.273 8.188 0.00 0.00 0.001 A ATOM 6 C UNL d 1 9.854 -16.884 8.668 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 7.126 -14.684 7.295 0.00 0.00 0.294 C ATOM 8 O UNL d 1 6.534 -13.915 8.037 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 6.646 -15.250 6.163 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 5.698 -16.314 6.345 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 6.043 -17.408 5.373 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 7.364 -17.567 4.935 0.00 0.00 0.009 A ATOM 13 C UNL d 1 7.652 -18.417 3.869 0.00 0.00 0.001 A ATOM 14 C UNL d 1 6.626 -19.122 3.244 0.00 0.00 0.000 A ATOM 15 C UNL d 1 5.318 -19.019 3.714 0.00 0.00 0.001 A ATOM 16 C UNL d 1 5.027 -18.170 4.781 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 9.660 -13.225 6.470 0.00 0.00 0.294 C ATOM 18 O UNL d 1 9.219 -12.209 6.970 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 10.077 -13.410 5.199 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 9.148 -13.982 4.267 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 9.840 -15.161 3.589 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 9.121 -15.546 2.294 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 9.621 -14.762 1.094 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: -4.9 1.905 3.855 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 8.294 -15.525 4.892 0.00 0.00 0.055 A ATOM 2 C UNL d 1 9.199 -14.495 5.189 0.00 0.00 0.055 A ATOM 3 C UNL d 1 8.307 -16.129 3.626 0.00 0.00 0.018 A ATOM 4 C UNL d 1 10.063 -14.036 4.183 0.00 0.00 0.018 A ATOM 5 C UNL d 1 9.185 -15.675 2.640 0.00 0.00 0.001 A ATOM 6 C UNL d 1 10.052 -14.620 2.912 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 9.280 -13.830 6.511 0.00 0.00 0.294 C ATOM 8 O UNL d 1 9.229 -12.616 6.645 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 9.481 -14.746 7.487 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 10.808 -15.286 7.580 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 10.697 -16.785 7.546 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 11.005 -17.485 6.372 0.00 0.00 0.009 A ATOM 13 C UNL d 1 10.687 -18.837 6.257 0.00 0.00 0.001 A ATOM 14 C UNL d 1 10.071 -19.499 7.317 0.00 0.00 0.000 A ATOM 15 C UNL d 1 9.820 -18.826 8.512 0.00 0.00 0.001 A ATOM 16 C UNL d 1 10.139 -17.475 8.630 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 7.225 -15.958 5.823 0.00 0.00 0.294 C ATOM 18 O UNL d 1 6.310 -15.243 6.187 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 7.550 -17.185 6.284 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 6.481 -18.087 6.600 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 6.643 -19.323 5.721 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 5.939 -19.133 4.375 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 6.848 -19.422 3.195 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: -4.9 1.460 3.560 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 8.091 -18.005 4.810 0.00 0.00 0.055 A ATOM 2 C UNL d 1 7.149 -17.698 5.804 0.00 0.00 0.055 A ATOM 3 C UNL d 1 7.676 -18.591 3.605 0.00 0.00 0.018 A ATOM 4 C UNL d 1 5.806 -18.049 5.601 0.00 0.00 0.018 A ATOM 5 C UNL d 1 6.333 -18.917 3.408 0.00 0.00 0.001 A ATOM 6 C UNL d 1 5.401 -18.660 4.410 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 7.495 -17.044 7.088 0.00 0.00 0.294 C ATOM 8 O UNL d 1 7.775 -17.674 8.096 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 7.384 -15.699 6.976 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 7.579 -14.949 8.185 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 8.872 -14.194 8.054 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 8.914 -12.994 7.331 0.00 0.00 0.009 A ATOM 13 C UNL d 1 10.138 -12.411 7.009 0.00 0.00 0.001 A ATOM 14 C UNL d 1 11.325 -13.016 7.417 0.00 0.00 0.000 A ATOM 15 C UNL d 1 11.291 -14.175 8.190 0.00 0.00 0.001 A ATOM 16 C UNL d 1 10.068 -14.759 8.516 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 9.552 -17.841 5.000 0.00 0.00 0.294 C ATOM 18 O UNL d 1 10.203 -18.449 5.829 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 9.957 -16.817 4.219 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 10.066 -15.519 4.820 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 9.716 -14.485 3.754 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 9.207 -15.163 2.480 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 10.093 -14.887 1.279 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: -4.8 0.969 4.153 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 9.603 -15.690 4.790 0.00 0.00 0.055 A ATOM 2 C UNL d 1 8.825 -16.452 3.905 0.00 0.00 0.055 A ATOM 3 C UNL d 1 10.230 -14.518 4.343 0.00 0.00 0.018 A ATOM 4 C UNL d 1 8.743 -16.062 2.560 0.00 0.00 0.018 A ATOM 5 C UNL d 1 10.125 -14.130 3.007 0.00 0.00 0.001 A ATOM 6 C UNL d 1 9.395 -14.908 2.112 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 8.097 -17.680 4.303 0.00 0.00 0.294 C ATOM 8 O UNL d 1 8.575 -18.799 4.187 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 6.849 -17.372 4.727 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 6.551 -17.697 6.094 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 6.205 -16.419 6.806 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 5.989 -15.244 6.074 0.00 0.00 0.009 A ATOM 13 C UNL d 1 5.898 -14.017 6.727 0.00 0.00 0.001 A ATOM 14 C UNL d 1 6.010 -13.957 8.114 0.00 0.00 0.000 A ATOM 15 C UNL d 1 6.161 -15.128 8.855 0.00 0.00 0.001 A ATOM 16 C UNL d 1 6.250 -16.357 8.204 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 9.898 -16.113 6.180 0.00 0.00 0.294 C ATOM 18 O UNL d 1 10.440 -17.162 6.471 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 9.325 -15.218 7.014 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 9.973 -14.961 8.268 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 9.656 -13.523 8.666 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 9.658 -12.603 7.442 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 11.053 -12.142 7.061 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: -4.8 1.271 1.857 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 9.369 -16.569 4.995 0.00 0.00 0.055 A ATOM 2 C UNL d 1 9.983 -15.464 5.604 0.00 0.00 0.055 A ATOM 3 C UNL d 1 9.051 -16.533 3.630 0.00 0.00 0.018 A ATOM 4 C UNL d 1 10.207 -14.306 4.845 0.00 0.00 0.018 A ATOM 5 C UNL d 1 9.297 -15.380 2.881 0.00 0.00 0.001 A ATOM 6 C UNL d 1 9.861 -14.262 3.491 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 10.388 -15.433 7.030 0.00 0.00 0.294 C ATOM 8 O UNL d 1 11.244 -16.174 7.489 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 9.637 -14.539 7.713 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 10.263 -13.933 8.855 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 11.168 -12.840 8.357 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 12.494 -12.770 8.802 0.00 0.00 0.009 A ATOM 13 C UNL d 1 13.266 -11.642 8.532 0.00 0.00 0.001 A ATOM 14 C UNL d 1 12.721 -10.583 7.807 0.00 0.00 0.000 A ATOM 15 C UNL d 1 11.424 -10.672 7.307 0.00 0.00 0.001 A ATOM 16 C UNL d 1 10.651 -11.801 7.573 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 8.928 -17.768 5.748 0.00 0.00 0.294 C ATOM 18 O UNL d 1 9.606 -18.767 5.893 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 7.630 -17.593 6.079 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 7.307 -17.454 7.469 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 6.303 -16.312 7.599 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 6.065 -15.637 6.246 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 6.534 -14.194 6.224 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: -4.8 1.525 2.775 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 8.130 -16.263 4.689 0.00 0.00 0.055 A ATOM 2 C UNL d 1 8.166 -15.010 5.321 0.00 0.00 0.055 A ATOM 3 C UNL d 1 8.934 -16.506 3.566 0.00 0.00 0.018 A ATOM 4 C UNL d 1 8.961 -13.993 4.773 0.00 0.00 0.018 A ATOM 5 C UNL d 1 9.735 -15.491 3.042 0.00 0.00 0.001 A ATOM 6 C UNL d 1 9.738 -14.231 3.635 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 7.380 -14.681 6.535 0.00 0.00 0.294 C ATOM 8 O UNL d 1 6.310 -14.093 6.489 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 8.050 -15.062 7.647 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 8.129 -14.086 8.698 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 9.285 -13.174 8.392 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 9.061 -11.809 8.167 0.00 0.00 0.009 A ATOM 13 C UNL d 1 10.080 -11.005 7.659 0.00 0.00 0.001 A ATOM 14 C UNL d 1 11.330 -11.557 7.384 0.00 0.00 0.000 A ATOM 15 C UNL d 1 11.580 -12.899 7.665 0.00 0.00 0.001 A ATOM 16 C UNL d 1 10.563 -13.705 8.175 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 7.192 -17.342 5.081 0.00 0.00 0.294 C ATOM 18 O UNL d 1 5.986 -17.203 5.148 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 7.927 -18.401 5.483 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 8.209 -18.528 6.883 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 9.557 -19.228 7.022 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 10.665 -18.420 6.343 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 10.896 -17.075 7.006 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