MODEL 1 REMARK VINA RESULT: -5.0 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 44.834 63.233 59.648 0.00 0.00 0.055 A ATOM 2 C UNL d 1 45.207 62.958 58.323 0.00 0.00 0.055 A ATOM 3 C UNL d 1 45.638 62.793 60.709 0.00 0.00 0.018 A ATOM 4 C UNL d 1 46.351 62.182 58.084 0.00 0.00 0.018 A ATOM 5 C UNL d 1 46.785 62.037 60.457 0.00 0.00 0.001 A ATOM 6 C UNL d 1 47.133 61.719 59.147 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 44.438 63.418 57.142 0.00 0.00 0.294 C ATOM 8 O UNL d 1 43.494 62.793 56.684 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 44.978 64.555 56.643 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 45.209 64.572 55.225 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 46.492 63.833 54.961 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 47.723 64.476 55.145 0.00 0.00 0.009 A ATOM 13 C UNL d 1 48.899 63.886 54.686 0.00 0.00 0.001 A ATOM 14 C UNL d 1 48.853 62.645 54.053 0.00 0.00 0.000 A ATOM 15 C UNL d 1 47.641 61.970 53.923 0.00 0.00 0.001 A ATOM 16 C UNL d 1 46.464 62.558 54.382 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 43.554 63.887 60.010 0.00 0.00 0.294 C ATOM 18 O UNL d 1 43.163 64.930 59.523 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 43.025 63.209 61.051 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 41.877 62.386 60.800 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 40.805 62.766 61.816 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 39.430 62.859 61.151 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 39.475 62.535 59.669 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: -4.9 2.668 4.956 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 42.843 66.962 55.796 0.00 0.00 0.055 A ATOM 2 C UNL d 1 43.740 66.885 54.719 0.00 0.00 0.055 A ATOM 3 C UNL d 1 42.316 68.203 56.183 0.00 0.00 0.018 A ATOM 4 C UNL d 1 44.151 68.068 54.088 0.00 0.00 0.018 A ATOM 5 C UNL d 1 42.719 69.371 55.533 0.00 0.00 0.001 A ATOM 6 C UNL d 1 43.646 69.306 54.496 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 44.313 65.612 54.220 0.00 0.00 0.294 C ATOM 8 O UNL d 1 43.688 64.841 53.507 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 45.557 65.427 54.720 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 45.712 64.327 55.631 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 46.730 63.388 55.047 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 48.068 63.785 54.934 0.00 0.00 0.009 A ATOM 13 C UNL d 1 48.967 63.022 54.191 0.00 0.00 0.001 A ATOM 14 C UNL d 1 48.536 61.853 53.567 0.00 0.00 0.000 A ATOM 15 C UNL d 1 47.222 61.417 53.727 0.00 0.00 0.001 A ATOM 16 C UNL d 1 46.322 62.177 54.472 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 42.487 65.797 56.640 0.00 0.00 0.294 C ATOM 18 O UNL d 1 41.557 65.049 56.408 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 43.264 65.835 57.744 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 43.003 64.877 58.780 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 43.972 63.714 58.588 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 45.242 63.917 59.416 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 46.224 62.770 59.270 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: -4.9 3.518 5.473 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 42.892 68.175 55.645 0.00 0.00 0.055 A ATOM 2 C UNL d 1 43.694 67.594 54.650 0.00 0.00 0.055 A ATOM 3 C UNL d 1 42.731 69.567 55.693 0.00 0.00 0.018 A ATOM 4 C UNL d 1 44.381 68.429 53.756 0.00 0.00 0.018 A ATOM 5 C UNL d 1 43.405 70.385 54.785 0.00 0.00 0.001 A ATOM 6 C UNL d 1 44.241 69.818 53.826 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 43.887 66.132 54.502 0.00 0.00 0.294 C ATOM 8 O UNL d 1 43.120 65.425 53.867 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 44.965 65.725 55.213 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 45.044 64.317 55.486 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 46.341 63.812 54.919 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 46.427 62.508 54.413 0.00 0.00 0.009 A ATOM 13 C UNL d 1 47.667 61.956 54.102 0.00 0.00 0.001 A ATOM 14 C UNL d 1 48.828 62.705 54.283 0.00 0.00 0.000 A ATOM 15 C UNL d 1 48.747 64.025 54.724 0.00 0.00 0.001 A ATOM 16 C UNL d 1 47.507 64.581 55.034 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 42.271 67.396 56.743 0.00 0.00 0.294 C ATOM 18 O UNL d 1 42.898 66.720 57.536 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 40.931 67.458 56.585 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 40.324 66.558 55.648 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 39.795 65.362 56.432 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 40.672 64.128 56.208 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 41.263 63.590 57.498 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 2.637 6.831 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 43.876 66.783 54.741 0.00 0.00 0.055 A ATOM 2 C UNL d 1 42.900 67.064 55.709 0.00 0.00 0.055 A ATOM 3 C UNL d 1 44.348 67.803 53.902 0.00 0.00 0.018 A ATOM 4 C UNL d 1 42.359 68.357 55.775 0.00 0.00 0.018 A ATOM 5 C UNL d 1 43.814 69.089 53.991 0.00 0.00 0.001 A ATOM 6 C UNL d 1 42.810 69.364 54.916 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 42.375 66.057 56.662 0.00 0.00 0.294 C ATOM 8 O UNL d 1 41.328 65.455 56.476 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 43.176 65.975 57.749 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 43.030 64.793 58.551 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 44.041 63.787 58.075 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 43.654 62.760 57.204 0.00 0.00 0.009 A ATOM 13 C UNL d 1 44.518 61.699 56.942 0.00 0.00 0.001 A ATOM 14 C UNL d 1 45.776 61.663 57.539 0.00 0.00 0.000 A ATOM 15 C UNL d 1 46.194 62.712 58.356 0.00 0.00 0.001 A ATOM 16 C UNL d 1 45.332 63.776 58.617 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 44.379 65.414 54.472 0.00 0.00 0.294 C ATOM 18 O UNL d 1 43.787 64.593 53.799 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 45.488 65.228 55.220 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 46.329 64.110 54.904 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 47.770 64.518 55.197 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 48.756 63.536 54.561 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 48.130 62.184 54.273 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 2.877 6.029 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 44.764 63.755 57.914 0.00 0.00 0.055 A ATOM 2 C UNL d 1 43.563 64.330 58.357 0.00 0.00 0.055 A ATOM 3 C UNL d 1 45.582 63.056 58.814 0.00 0.00 0.018 A ATOM 4 C UNL d 1 43.232 64.254 59.718 0.00 0.00 0.018 A ATOM 5 C UNL d 1 45.231 62.972 60.163 0.00 0.00 0.001 A ATOM 6 C UNL d 1 44.066 63.583 60.618 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 42.621 65.050 57.467 0.00 0.00 0.294 C ATOM 8 O UNL d 1 41.804 64.474 56.766 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 42.858 66.382 57.510 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 41.986 67.202 56.716 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 42.843 68.028 55.797 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 42.815 69.426 55.878 0.00 0.00 0.009 A ATOM 13 C UNL d 1 43.420 70.199 54.889 0.00 0.00 0.001 A ATOM 14 C UNL d 1 44.066 69.580 53.821 0.00 0.00 0.000 A ATOM 15 C UNL d 1 44.155 68.191 53.766 0.00 0.00 0.001 A ATOM 16 C UNL d 1 43.552 67.415 54.755 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 45.289 63.933 56.540 0.00 0.00 0.294 C ATOM 18 O UNL d 1 45.583 65.010 56.059 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 45.222 62.737 55.915 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 46.065 62.530 54.773 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 47.474 62.247 55.284 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 48.519 62.989 54.448 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 48.694 64.433 54.880 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 2.895 5.044 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 42.590 67.337 55.758 0.00 0.00 0.055 A ATOM 2 C UNL d 1 43.573 67.233 54.763 0.00 0.00 0.055 A ATOM 3 C UNL d 1 42.083 68.595 56.116 0.00 0.00 0.018 A ATOM 4 C UNL d 1 44.086 68.405 54.187 0.00 0.00 0.018 A ATOM 5 C UNL d 1 42.588 69.752 55.521 0.00 0.00 0.001 A ATOM 6 C UNL d 1 43.599 69.659 54.568 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 44.135 65.943 54.296 0.00 0.00 0.294 C ATOM 8 O UNL d 1 43.568 65.233 53.480 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 45.288 65.668 54.949 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 45.389 64.354 55.521 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 46.555 63.660 54.874 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 46.411 62.355 54.384 0.00 0.00 0.009 A ATOM 13 C UNL d 1 47.532 61.624 53.996 0.00 0.00 0.001 A ATOM 14 C UNL d 1 48.800 62.195 54.084 0.00 0.00 0.000 A ATOM 15 C UNL d 1 48.946 63.514 54.509 0.00 0.00 0.001 A ATOM 16 C UNL d 1 47.826 64.248 54.896 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 42.113 66.179 56.551 0.00 0.00 0.294 C ATOM 18 O UNL d 1 41.079 65.581 56.326 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 42.937 66.039 57.613 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 42.858 64.820 58.365 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 44.239 64.551 58.955 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 44.157 63.535 60.097 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 43.092 63.889 61.118 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: -4.9 2.880 7.625 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 43.816 67.143 54.686 0.00 0.00 0.055 A ATOM 2 C UNL d 1 42.817 67.334 55.653 0.00 0.00 0.055 A ATOM 3 C UNL d 1 44.341 68.243 53.992 0.00 0.00 0.018 A ATOM 4 C UNL d 1 42.309 68.625 55.861 0.00 0.00 0.018 A ATOM 5 C UNL d 1 43.839 69.525 54.222 0.00 0.00 0.001 A ATOM 6 C UNL d 1 42.814 69.715 55.145 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 42.236 66.235 56.460 0.00 0.00 0.294 C ATOM 8 O UNL d 1 41.196 65.670 56.155 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 42.978 66.023 57.571 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 43.420 64.673 57.786 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 42.676 64.130 58.974 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 43.224 64.245 60.258 0.00 0.00 0.009 A ATOM 13 C UNL d 1 42.663 63.549 61.326 0.00 0.00 0.001 A ATOM 14 C UNL d 1 41.544 62.744 61.121 0.00 0.00 0.000 A ATOM 15 C UNL d 1 40.953 62.675 59.860 0.00 0.00 0.001 A ATOM 16 C UNL d 1 41.512 63.372 58.790 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 44.292 65.803 54.266 0.00 0.00 0.294 C ATOM 18 O UNL d 1 43.680 65.071 53.512 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 45.401 65.516 54.981 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 45.843 64.152 55.012 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 47.151 64.107 55.796 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 48.353 64.284 54.865 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 48.820 62.973 54.260 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: -4.9 1.414 4.063 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 43.184 63.626 59.545 0.00 0.00 0.055 A ATOM 2 C UNL d 1 42.795 63.804 58.208 0.00 0.00 0.055 A ATOM 3 C UNL d 1 42.279 63.091 60.473 0.00 0.00 0.018 A ATOM 4 C UNL d 1 41.476 63.505 57.836 0.00 0.00 0.018 A ATOM 5 C UNL d 1 40.975 62.780 60.086 0.00 0.00 0.001 A ATOM 6 C UNL d 1 40.568 63.001 58.772 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 43.698 64.324 57.154 0.00 0.00 0.294 C ATOM 8 O UNL d 1 43.591 65.449 56.688 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 44.571 63.366 56.766 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 44.609 63.080 55.359 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 46.038 63.191 54.906 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 46.695 62.073 54.376 0.00 0.00 0.009 A ATOM 13 C UNL d 1 48.073 62.101 54.171 0.00 0.00 0.001 A ATOM 14 C UNL d 1 48.800 63.248 54.482 0.00 0.00 0.000 A ATOM 15 C UNL d 1 48.145 64.386 54.949 0.00 0.00 0.001 A ATOM 16 C UNL d 1 46.766 64.362 55.153 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 44.492 64.077 60.075 0.00 0.00 0.294 C ATOM 18 O UNL d 1 45.101 65.041 59.653 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 44.918 63.151 60.962 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 45.704 62.059 60.464 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 47.172 62.455 60.581 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 47.966 61.393 61.346 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 47.578 61.318 62.811 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: -4.7 2.005 7.613 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 43.860 65.388 55.529 0.00 0.00 0.055 A ATOM 2 C UNL d 1 43.312 65.163 56.801 0.00 0.00 0.055 A ATOM 3 C UNL d 1 43.320 66.380 54.697 0.00 0.00 0.018 A ATOM 4 C UNL d 1 42.182 65.893 57.195 0.00 0.00 0.018 A ATOM 5 C UNL d 1 42.206 67.113 55.110 0.00 0.00 0.001 A ATOM 6 C UNL d 1 41.627 66.861 56.351 0.00 0.00 0.001 A ENDROOT BRANCH 2 7 ATOM 7 C UNL d 1 43.845 64.163 57.758 0.00 0.00 0.294 C ATOM 8 O UNL d 1 44.833 64.369 58.446 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 43.128 63.018 57.690 0.00 0.00 -0.313 OA BRANCH 9 10 ATOM 10 C UNL d 1 43.083 62.232 58.891 0.00 0.00 0.217 C BRANCH 10 11 ATOM 11 C UNL d 1 41.825 62.594 59.630 0.00 0.00 -0.034 A ATOM 12 C UNL d 1 41.828 62.667 61.029 0.00 0.00 0.009 A ATOM 13 C UNL d 1 40.629 62.773 61.730 0.00 0.00 0.001 A ATOM 14 C UNL d 1 39.420 62.816 61.038 0.00 0.00 0.000 A ATOM 15 C UNL d 1 39.411 62.808 59.644 0.00 0.00 0.001 A ATOM 16 C UNL d 1 40.610 62.705 58.941 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 44.937 64.550 54.949 0.00 0.00 0.294 C ATOM 18 O UNL d 1 44.740 63.510 54.351 0.00 0.00 -0.259 OA BRANCH 17 19 ATOM 19 O UNL d 1 46.120 65.067 55.345 0.00 0.00 -0.317 OA BRANCH 19 20 ATOM 20 C UNL d 1 47.133 64.156 55.792 0.00 0.00 0.179 C BRANCH 20 21 ATOM 21 C UNL d 1 48.394 64.433 54.980 0.00 0.00 0.026 C BRANCH 21 22 ATOM 22 C UNL d 1 48.851 63.178 54.232 0.00 0.00 -0.002 C ATOM 23 C UNL d 1 47.901 62.009 54.421 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