MODEL 1 REMARK VINA RESULT: -5.3 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 10.237 -13.767 7.300 0.00 0.00 0.055 C ATOM 2 C UNL d 1 10.585 -15.056 7.726 0.00 0.00 0.055 C ATOM 3 C UNL d 1 11.119 -12.697 7.543 0.00 0.00 0.018 C ATOM 4 C UNL d 1 11.708 -15.226 8.550 0.00 0.00 0.018 C ATOM 5 C UNL d 1 12.268 -12.887 8.311 0.00 0.00 0.001 C ATOM 6 C UNL d 1 12.535 -14.140 8.855 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 8.899 -13.393 6.777 0.00 0.00 0.294 C ATOM 8 O UNL d 1 7.875 -13.556 7.419 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 8.990 -13.127 5.451 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 8.773 -14.207 4.518 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 9.910 -14.408 3.520 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 9.611 -15.431 2.426 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 9.469 -14.833 1.028 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 9.823 -16.261 7.348 0.00 0.00 0.294 C ATOM 15 O UNL d 1 8.848 -16.664 7.957 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 10.445 -16.885 6.313 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 9.954 -18.190 5.955 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 9.333 -18.215 4.559 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 7.836 -17.905 4.559 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 7.138 -18.496 3.341 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: -5.3 1.982 4.899 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 9.624 -16.050 4.886 0.00 0.00 0.055 C ATOM 2 C UNL d 1 8.793 -16.611 3.908 0.00 0.00 0.055 C ATOM 3 C UNL d 1 10.213 -14.793 4.655 0.00 0.00 0.018 C ATOM 4 C UNL d 1 8.715 -16.005 2.645 0.00 0.00 0.018 C ATOM 5 C UNL d 1 10.079 -14.165 3.416 0.00 0.00 0.001 C ATOM 6 C UNL d 1 9.372 -14.796 2.396 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 10.103 -16.774 6.091 0.00 0.00 0.294 C ATOM 8 O UNL d 1 10.663 -17.855 6.025 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 9.587 -16.195 7.202 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 10.465 -15.954 8.322 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 11.305 -14.686 8.195 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 10.489 -13.402 8.068 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 11.112 -12.349 7.155 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 7.982 -17.821 4.138 0.00 0.00 0.294 C ATOM 15 O UNL d 1 8.338 -18.944 3.825 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 6.768 -17.467 4.634 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 6.499 -17.818 6.004 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 6.265 -16.591 6.885 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 5.965 -15.324 6.085 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 6.884 -14.176 6.484 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: -5.2 1.905 5.103 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 8.961 -16.774 4.214 0.00 0.00 0.055 C ATOM 2 C UNL d 1 9.801 -16.258 5.210 0.00 0.00 0.055 C ATOM 3 C UNL d 1 8.766 -16.043 3.027 0.00 0.00 0.018 C ATOM 4 C UNL d 1 10.277 -14.945 5.091 0.00 0.00 0.018 C ATOM 5 C UNL d 1 9.296 -14.760 2.891 0.00 0.00 0.001 C ATOM 6 C UNL d 1 10.009 -14.193 3.943 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 8.086 -17.961 4.391 0.00 0.00 0.294 C ATOM 8 O UNL d 1 7.896 -18.774 3.502 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 7.370 -17.828 5.534 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 6.227 -16.948 5.529 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 6.254 -15.882 6.621 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 6.764 -14.520 6.157 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 7.434 -13.693 7.252 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 10.217 -17.035 6.393 0.00 0.00 0.294 C ATOM 15 O UNL d 1 10.849 -18.076 6.331 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 9.694 -16.472 7.513 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 10.538 -16.442 8.678 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 11.549 -15.297 8.635 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 10.897 -13.915 8.668 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 11.654 -12.913 7.807 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: -5.2 2.284 3.409 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 9.224 -16.852 6.507 0.00 0.00 0.055 C ATOM 2 C UNL d 1 8.426 -17.746 7.234 0.00 0.00 0.055 C ATOM 3 C UNL d 1 10.414 -17.313 5.915 0.00 0.00 0.018 C ATOM 4 C UNL d 1 8.918 -19.028 7.517 0.00 0.00 0.018 C ATOM 5 C UNL d 1 10.866 -18.611 6.150 0.00 0.00 0.001 C ATOM 6 C UNL d 1 10.143 -19.452 6.992 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 9.014 -15.382 6.475 0.00 0.00 0.294 C ATOM 8 O UNL d 1 9.243 -14.667 7.435 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 8.307 -15.050 5.368 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 8.756 -13.930 4.577 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 9.930 -14.245 3.655 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 9.666 -15.380 2.668 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 9.515 -14.928 1.217 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 7.076 -17.406 7.721 0.00 0.00 0.294 C ATOM 15 O UNL d 1 6.864 -16.703 8.694 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 6.147 -18.082 6.995 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 5.671 -17.442 5.797 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 5.296 -18.448 4.709 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 6.505 -19.158 4.102 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 7.538 -18.167 3.582 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: -5.2 2.314 4.635 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 8.361 -17.551 7.415 0.00 0.00 0.055 C ATOM 2 C UNL d 1 9.136 -16.664 6.656 0.00 0.00 0.055 C ATOM 3 C UNL d 1 8.837 -18.854 7.655 0.00 0.00 0.018 C ATOM 4 C UNL d 1 10.275 -17.145 5.992 0.00 0.00 0.018 C ATOM 5 C UNL d 1 10.005 -19.305 7.041 0.00 0.00 0.001 C ATOM 6 C UNL d 1 10.696 -18.466 6.170 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 6.960 -17.290 7.831 0.00 0.00 0.294 C ATOM 8 O UNL d 1 6.682 -16.671 8.844 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 6.118 -18.052 7.091 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 5.361 -17.416 6.040 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 5.243 -18.245 4.765 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 6.464 -19.111 4.464 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 7.578 -18.387 3.712 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 8.815 -15.231 6.517 0.00 0.00 0.294 C ATOM 15 O UNL d 1 8.964 -14.414 7.409 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 8.236 -15.011 5.308 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 8.742 -13.903 4.540 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 9.889 -14.311 3.615 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 9.506 -15.416 2.631 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 9.532 -14.921 1.190 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: -5.1 1.761 3.095 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 7.981 -14.667 7.018 0.00 0.00 0.055 C ATOM 2 C UNL d 1 7.823 -16.047 7.206 0.00 0.00 0.055 C ATOM 3 C UNL d 1 6.866 -13.886 6.663 0.00 0.00 0.018 C ATOM 4 C UNL d 1 6.608 -16.652 6.854 0.00 0.00 0.018 C ATOM 5 C UNL d 1 5.642 -14.490 6.375 0.00 0.00 0.001 C ATOM 6 C UNL d 1 5.528 -15.877 6.421 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 9.294 -13.976 6.970 0.00 0.00 0.294 C ATOM 8 O UNL d 1 10.006 -13.852 7.952 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 9.412 -13.311 5.794 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 10.162 -13.931 4.728 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 9.319 -14.324 3.518 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 10.129 -14.826 2.325 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 9.305 -15.066 1.062 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 8.882 -16.909 7.765 0.00 0.00 0.294 C ATOM 15 O UNL d 1 9.399 -16.728 8.853 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 9.250 -17.834 6.840 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 10.169 -17.401 5.820 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 9.925 -18.097 4.481 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 8.477 -18.548 4.291 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 7.695 -17.578 3.415 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: -5.1 1.536 2.255 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 9.515 -14.852 7.299 0.00 0.00 0.055 C ATOM 2 C UNL d 1 8.634 -15.893 7.624 0.00 0.00 0.055 C ATOM 3 C UNL d 1 10.896 -15.025 7.508 0.00 0.00 0.018 C ATOM 4 C UNL d 1 9.119 -17.007 8.323 0.00 0.00 0.018 C ATOM 5 C UNL d 1 11.378 -16.167 8.148 0.00 0.00 0.001 C ATOM 6 C UNL d 1 10.484 -17.134 8.600 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 9.086 -13.479 6.929 0.00 0.00 0.294 C ATOM 8 O UNL d 1 8.263 -12.854 7.576 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 9.527 -13.189 5.681 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 8.906 -13.855 4.561 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 9.889 -14.331 3.495 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 9.303 -15.333 2.503 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 9.501 -14.955 1.037 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 7.204 -15.879 7.262 0.00 0.00 0.294 C ATOM 15 O UNL d 1 6.314 -15.566 8.034 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 7.049 -16.369 6.005 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 6.453 -17.674 5.887 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 7.444 -18.723 5.383 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 8.436 -18.173 4.359 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 9.864 -18.195 4.890 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: -5.1 1.869 4.763 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 9.770 -16.377 5.360 0.00 0.00 0.055 C ATOM 2 C UNL d 1 10.117 -15.087 5.784 0.00 0.00 0.055 C ATOM 3 C UNL d 1 9.604 -16.631 3.986 0.00 0.00 0.018 C ATOM 4 C UNL d 1 10.107 -14.035 4.858 0.00 0.00 0.018 C ATOM 5 C UNL d 1 9.658 -15.587 3.061 0.00 0.00 0.001 C ATOM 6 C UNL d 1 9.859 -14.283 3.504 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 9.361 -17.475 6.272 0.00 0.00 0.294 C ATOM 8 O UNL d 1 10.103 -18.399 6.559 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 8.023 -17.415 6.480 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 7.326 -18.634 6.812 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 6.713 -19.351 5.612 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 6.284 -18.422 4.478 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 6.781 -18.844 3.098 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 10.500 -14.774 7.174 0.00 0.00 0.294 C ATOM 15 O UNL d 1 11.387 -15.351 7.779 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 9.648 -13.846 7.682 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 8.373 -14.326 8.150 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 7.201 -13.563 7.532 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 6.598 -14.266 6.316 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 5.076 -14.297 6.381 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: -5.0 1.776 4.752 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 8.550 -15.607 4.558 0.00 0.00 0.055 C ATOM 2 C UNL d 1 9.490 -14.574 4.677 0.00 0.00 0.055 C ATOM 3 C UNL d 1 8.399 -16.264 3.323 0.00 0.00 0.018 C ATOM 4 C UNL d 1 10.123 -14.087 3.524 0.00 0.00 0.018 C ATOM 5 C UNL d 1 9.080 -15.813 2.192 0.00 0.00 0.001 C ATOM 6 C UNL d 1 9.903 -14.694 2.283 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 7.541 -15.942 5.595 0.00 0.00 0.294 C ATOM 8 O UNL d 1 6.897 -15.089 6.181 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 7.666 -17.246 5.943 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 6.476 -17.976 6.308 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 6.197 -19.194 5.431 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 5.698 -18.857 4.028 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 6.582 -19.388 2.902 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 9.855 -13.964 5.969 0.00 0.00 0.294 C ATOM 15 O UNL d 1 9.495 -12.854 6.320 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 10.726 -14.775 6.625 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 10.288 -15.308 7.888 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 10.534 -16.813 8.002 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 11.016 -17.446 6.697 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 10.625 -18.915 6.606 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