MODEL 1 REMARK VINA RESULT: -5.9 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 -17.765 20.875 -25.123 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -17.671 19.600 -25.697 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -16.673 21.389 -24.400 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -16.573 18.786 -25.383 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -15.555 20.594 -24.145 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -15.528 19.276 -24.594 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -19.019 21.665 -25.045 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -19.220 22.646 -25.742 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -19.719 21.296 -23.945 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -21.147 21.504 -23.939 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -21.923 20.541 -24.833 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -22.357 19.251 -24.140 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -21.296 18.641 -23.227 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 -18.680 19.061 -26.629 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -19.652 18.416 -26.276 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -18.289 19.299 -27.908 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -18.780 20.506 -28.521 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -17.666 21.517 -28.791 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -16.275 20.886 -28.826 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -15.296 21.629 -27.926 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: -5.7 2.327 5.498 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 -16.417 21.573 -25.732 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -17.006 20.304 -25.637 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -16.397 22.234 -26.973 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -17.391 19.638 -26.810 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -16.841 21.588 -28.127 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -17.291 20.273 -28.052 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -15.621 22.207 -24.650 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -16.137 22.815 -23.728 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -14.313 22.229 -25.005 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -13.416 21.288 -24.378 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -12.859 20.229 -25.325 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -13.378 20.332 -26.757 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -12.523 21.205 -27.674 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 -17.246 19.623 -24.351 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -16.392 18.999 -23.745 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -18.564 19.709 -24.031 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -19.085 21.027 -23.782 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -20.558 21.155 -24.171 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -21.020 20.073 -25.147 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -20.922 20.539 -26.594 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: -5.7 2.361 4.140 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 -16.799 20.241 -25.763 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -16.307 21.551 -25.838 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -17.167 19.573 -26.946 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -16.368 22.238 -27.059 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -17.165 20.244 -28.169 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -16.813 21.590 -28.216 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -17.158 19.554 -24.497 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -16.331 18.993 -23.799 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -18.505 19.430 -24.415 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -19.211 20.232 -23.444 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -20.346 21.067 -24.030 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -20.217 21.341 -25.526 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -21.220 20.583 -26.393 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 -15.718 22.256 -24.684 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -16.377 22.761 -23.791 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -14.372 22.344 -24.844 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -13.583 21.274 -24.290 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -12.520 20.769 -25.265 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -13.103 20.259 -26.583 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -12.877 21.248 -27.719 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: -5.7 0.945 1.311 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 -17.357 20.314 -24.562 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -17.286 19.387 -25.611 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -16.181 20.943 -24.114 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -16.029 18.962 -26.065 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -14.937 20.559 -24.617 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -14.859 19.534 -25.555 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -18.568 20.548 -23.735 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -18.951 19.752 -22.895 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -19.272 21.587 -24.247 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -20.588 21.330 -24.778 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -21.725 21.631 -23.805 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -22.429 20.392 -23.258 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -22.203 19.126 -24.081 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 -18.479 18.828 -26.273 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -19.296 18.119 -25.711 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -18.449 19.132 -27.597 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -18.845 20.466 -27.964 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -18.102 20.975 -29.199 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -16.582 20.914 -29.057 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -16.065 21.956 -28.073 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: -5.6 2.203 3.489 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 -17.309 21.080 -25.770 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -16.273 20.149 -25.923 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -17.937 21.609 -26.913 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -15.754 19.906 -27.203 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -17.454 21.312 -28.187 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -16.332 20.501 -28.329 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -17.676 21.716 -24.479 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -16.990 22.577 -23.955 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -18.681 21.016 -23.899 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -20.037 21.466 -24.101 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -20.902 20.501 -24.908 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -20.509 19.033 -24.762 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -19.665 18.491 -25.913 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 -15.692 19.399 -24.793 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -16.344 18.700 -24.037 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -14.373 19.704 -24.676 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -14.053 20.962 -24.053 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -12.813 21.615 -24.663 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -13.032 22.107 -26.093 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -14.208 23.071 -26.184 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: -5.6 1.512 4.717 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 -17.404 21.569 -25.429 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -17.554 21.172 -26.765 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -16.418 22.516 -25.097 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -16.601 21.577 -27.711 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -15.512 22.963 -26.059 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -15.573 22.455 -27.353 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -18.082 20.914 -24.282 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -18.674 21.546 -23.424 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -17.706 19.614 -24.217 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -16.383 19.306 -23.730 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -15.361 19.032 -24.830 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -14.064 19.826 -24.694 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -13.256 19.936 -25.985 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 -18.677 20.340 -27.236 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -18.537 19.305 -27.863 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -19.852 20.965 -26.961 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -20.901 20.155 -26.401 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -21.632 20.856 -25.256 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -22.172 19.888 -24.203 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -21.169 18.787 -23.882 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: -5.6 2.070 5.334 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 -16.309 21.702 -25.674 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -16.481 20.488 -26.352 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -15.707 22.786 -26.340 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -15.884 20.314 -27.609 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -15.171 22.623 -27.617 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -15.216 21.374 -28.230 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -16.533 21.885 -24.217 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -17.649 21.920 -23.726 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -15.374 22.262 -23.625 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -14.289 21.312 -23.572 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -12.950 21.866 -24.050 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -12.521 21.370 -25.429 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -12.821 19.895 -25.687 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 -17.270 19.367 -25.806 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -16.900 18.666 -24.880 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -18.383 19.184 -26.564 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -19.530 18.619 -25.903 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -20.198 19.607 -24.946 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -21.322 18.981 -24.122 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -20.912 18.781 -22.668 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: -5.5 1.831 3.357 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 -17.753 20.586 -26.350 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -16.790 20.235 -25.394 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -18.348 21.861 -26.296 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -16.575 21.081 -24.295 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -18.080 22.723 -25.233 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -17.233 22.312 -24.207 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -18.355 19.634 -27.317 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -17.871 19.424 -28.416 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -19.597 19.289 -26.899 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -19.723 18.515 -25.687 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -20.831 18.991 -24.753 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -20.420 20.126 -23.819 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -21.260 21.394 -23.962 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 -15.978 19.008 -25.483 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -16.151 18.028 -24.778 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -14.968 19.195 -26.373 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -13.750 19.765 -25.859 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -13.275 20.963 -26.682 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -13.694 22.307 -26.089 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -14.782 22.975 -26.920 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: -5.5 2.238 5.709 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 -16.295 20.256 -26.039 0.00 0.00 0.055 C ATOM 2 C UNL d 1 -17.283 21.221 -25.801 0.00 0.00 0.055 C ATOM 3 C UNL d 1 -15.968 19.916 -27.365 0.00 0.00 0.018 C ATOM 4 C UNL d 1 -18.058 21.688 -26.873 0.00 0.00 0.018 C ATOM 5 C UNL d 1 -16.703 20.433 -28.431 0.00 0.00 0.001 C ATOM 6 C UNL d 1 -17.780 21.280 -28.181 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 -15.689 19.403 -24.986 0.00 0.00 0.294 C ATOM 8 O UNL d 1 -16.360 18.766 -24.193 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 -14.363 19.671 -24.895 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 -13.945 20.812 -24.118 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 -12.820 21.623 -24.754 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 -13.098 22.065 -26.189 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 -14.219 23.093 -26.324 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 -17.555 21.780 -24.463 0.00 0.00 0.294 C ATOM 15 O UNL d 1 -16.709 22.316 -23.769 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 -18.835 21.500 -24.105 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 -19.051 20.276 -23.379 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 -20.373 19.604 -23.749 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 -20.594 19.499 -25.258 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 -19.615 18.527 -25.904 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