MODEL 1 REMARK VINA RESULT: -5.2 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 7.661 -8.253 -3.572 0.00 0.00 0.055 C ATOM 2 C UNL d 1 8.166 -8.212 -4.878 0.00 0.00 0.055 C ATOM 3 C UNL d 1 7.918 -9.378 -2.766 0.00 0.00 0.018 C ATOM 4 C UNL d 1 8.752 -9.364 -5.423 0.00 0.00 0.018 C ATOM 5 C UNL d 1 8.558 -10.497 -3.297 0.00 0.00 0.001 C ATOM 6 C UNL d 1 8.929 -10.509 -4.639 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 6.691 -7.273 -3.020 0.00 0.00 0.294 C ATOM 8 O UNL d 1 6.986 -6.482 -2.141 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 5.441 -7.590 -3.439 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 4.473 -8.010 -2.455 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 3.469 -6.929 -2.066 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 3.663 -6.369 -0.658 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 4.550 -7.225 0.243 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 8.116 -7.004 -5.723 0.00 0.00 0.294 C ATOM 15 O UNL d 1 7.082 -6.517 -6.147 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 9.379 -6.612 -6.031 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 9.743 -5.264 -5.680 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 10.427 -5.181 -4.316 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 11.622 -4.229 -4.297 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 11.182 -2.771 -4.328 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: -5.2 0.196 5.721 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 8.073 -8.169 -4.914 0.00 0.00 0.055 C ATOM 2 C UNL d 1 7.596 -8.261 -3.599 0.00 0.00 0.055 C ATOM 3 C UNL d 1 8.718 -9.277 -5.494 0.00 0.00 0.018 C ATOM 4 C UNL d 1 7.937 -9.379 -2.823 0.00 0.00 0.018 C ATOM 5 C UNL d 1 8.997 -10.412 -4.733 0.00 0.00 0.001 C ATOM 6 C UNL d 1 8.651 -10.442 -3.385 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 8.129 -6.908 -5.696 0.00 0.00 0.294 C ATOM 8 O UNL d 1 7.145 -6.421 -6.225 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 9.423 -6.581 -5.934 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 9.876 -5.261 -5.569 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 10.460 -5.167 -4.162 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 11.446 -4.018 -3.966 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 11.095 -2.750 -4.741 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 6.743 -7.230 -2.979 0.00 0.00 0.294 C ATOM 15 O UNL d 1 7.136 -6.443 -2.135 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 5.463 -7.381 -3.409 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 4.496 -7.802 -2.429 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 3.544 -6.675 -2.029 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 3.549 -6.386 -0.528 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 4.638 -7.170 0.193 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: -4.9 1.734 2.633 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 8.749 -7.424 -5.847 0.00 0.00 0.055 C ATOM 2 C UNL d 1 8.740 -6.555 -6.946 0.00 0.00 0.055 C ATOM 3 C UNL d 1 8.971 -8.798 -6.054 0.00 0.00 0.018 C ATOM 4 C UNL d 1 8.762 -7.090 -8.242 0.00 0.00 0.018 C ATOM 5 C UNL d 1 9.055 -9.315 -7.347 0.00 0.00 0.001 C ATOM 6 C UNL d 1 8.901 -8.467 -8.440 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 8.340 -7.038 -4.473 0.00 0.00 0.294 C ATOM 8 O UNL d 1 9.146 -6.736 -3.610 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 7.030 -7.337 -4.290 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 6.615 -7.841 -3.003 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 5.293 -7.264 -2.504 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 5.377 -6.597 -1.132 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 4.080 -6.650 -0.327 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 8.711 -5.087 -6.810 0.00 0.00 0.294 C ATOM 15 O UNL d 1 7.735 -4.403 -7.066 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 9.949 -4.636 -6.477 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 10.200 -3.232 -6.668 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 11.376 -2.731 -5.829 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 11.183 -2.951 -4.329 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 11.910 -4.199 -3.845 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: -4.9 2.011 3.258 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 8.500 -7.864 -3.770 0.00 0.00 0.055 C ATOM 2 C UNL d 1 9.013 -7.644 -5.055 0.00 0.00 0.055 C ATOM 3 C UNL d 1 8.667 -6.877 -2.781 0.00 0.00 0.018 C ATOM 4 C UNL d 1 9.844 -6.537 -5.281 0.00 0.00 0.018 C ATOM 5 C UNL d 1 9.444 -5.747 -3.033 0.00 0.00 0.001 C ATOM 6 C UNL d 1 10.073 -5.602 -4.266 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 7.954 -9.163 -3.299 0.00 0.00 0.294 C ATOM 8 O UNL d 1 8.646 -10.159 -3.180 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 6.600 -9.113 -3.304 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 5.918 -8.867 -2.056 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 4.965 -7.675 -2.089 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 5.123 -6.712 -0.914 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 3.840 -6.474 -0.121 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 8.720 -8.526 -6.200 0.00 0.00 0.294 C ATOM 15 O UNL d 1 9.339 -9.548 -6.444 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 7.755 -7.963 -6.973 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 8.135 -7.580 -8.307 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 8.352 -6.073 -8.441 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 7.406 -5.247 -7.570 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 7.939 -3.839 -7.337 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: -4.8 1.857 2.962 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 8.919 -7.906 -5.169 0.00 0.00 0.055 C ATOM 2 C UNL d 1 9.452 -6.615 -5.285 0.00 0.00 0.055 C ATOM 3 C UNL d 1 8.666 -8.657 -6.333 0.00 0.00 0.018 C ATOM 4 C UNL d 1 9.545 -6.024 -6.554 0.00 0.00 0.018 C ATOM 5 C UNL d 1 8.821 -8.081 -7.594 0.00 0.00 0.001 C ATOM 6 C UNL d 1 9.213 -6.750 -7.702 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 8.404 -8.487 -3.903 0.00 0.00 0.294 C ATOM 8 O UNL d 1 8.926 -9.446 -3.362 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 7.178 -7.974 -3.637 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 6.398 -8.573 -2.580 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 5.085 -7.852 -2.287 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 5.186 -6.776 -1.208 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 4.061 -6.812 -0.177 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 9.929 -5.835 -4.128 0.00 0.00 0.294 C ATOM 15 O UNL d 1 9.329 -5.758 -3.070 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 11.050 -5.149 -4.474 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 11.238 -3.863 -3.855 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 11.326 -2.731 -4.879 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 12.304 -3.022 -6.017 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 11.597 -3.100 -7.363 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: -4.7 1.782 6.286 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 9.324 -6.529 -5.212 0.00 0.00 0.055 C ATOM 2 C UNL d 1 8.716 -7.791 -5.217 0.00 0.00 0.055 C ATOM 3 C UNL d 1 9.606 -5.892 -6.435 0.00 0.00 0.018 C ATOM 4 C UNL d 1 8.573 -8.478 -6.431 0.00 0.00 0.018 C ATOM 5 C UNL d 1 9.402 -6.559 -7.643 0.00 0.00 0.001 C ATOM 6 C UNL d 1 8.933 -7.869 -7.638 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 9.887 -5.878 -4.002 0.00 0.00 0.294 C ATOM 8 O UNL d 1 9.275 -5.809 -2.950 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 10.998 -5.179 -4.340 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 11.199 -3.880 -3.744 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 11.232 -2.731 -4.748 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 12.230 -2.921 -5.888 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 11.601 -2.929 -7.280 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 8.209 -8.445 -3.996 0.00 0.00 0.294 C ATOM 15 O UNL d 1 8.798 -9.337 -3.410 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 6.964 -7.979 -3.715 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 6.428 -8.303 -2.419 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 5.174 -7.495 -2.087 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 5.006 -7.228 -0.592 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 3.749 -6.418 -0.302 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: -4.7 1.674 6.011 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 8.373 -6.744 -6.980 0.00 0.00 0.055 C ATOM 2 C UNL d 1 8.558 -7.566 -5.860 0.00 0.00 0.055 C ATOM 3 C UNL d 1 8.413 -7.310 -8.268 0.00 0.00 0.018 C ATOM 4 C UNL d 1 8.966 -8.895 -6.046 0.00 0.00 0.018 C ATOM 5 C UNL d 1 8.758 -8.651 -8.441 0.00 0.00 0.001 C ATOM 6 C UNL d 1 9.083 -9.429 -7.333 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 8.334 -5.260 -6.930 0.00 0.00 0.294 C ATOM 8 O UNL d 1 7.326 -4.622 -7.182 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 9.598 -4.777 -6.840 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 9.780 -3.351 -6.716 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 11.116 -2.943 -6.103 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 11.120 -2.900 -4.577 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 11.693 -4.151 -3.915 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 8.341 -7.102 -4.477 0.00 0.00 0.294 C ATOM 15 O UNL d 1 9.231 -6.688 -3.755 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 7.048 -7.319 -4.123 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 6.779 -7.478 -2.718 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 5.591 -8.402 -2.452 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 4.323 -7.653 -2.045 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 4.512 -6.895 -0.737 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: -4.7 1.940 2.745 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 7.552 -8.310 -3.615 0.00 0.00 0.055 C ATOM 2 C UNL d 1 8.195 -8.229 -4.858 0.00 0.00 0.055 C ATOM 3 C UNL d 1 7.763 -9.438 -2.801 0.00 0.00 0.018 C ATOM 4 C UNL d 1 8.879 -9.350 -5.350 0.00 0.00 0.018 C ATOM 5 C UNL d 1 8.499 -10.525 -3.273 0.00 0.00 0.001 C ATOM 6 C UNL d 1 9.014 -10.500 -4.566 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 6.491 -7.376 -3.161 0.00 0.00 0.294 C ATOM 8 O UNL d 1 5.451 -7.216 -3.777 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 6.977 -6.586 -2.173 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 6.042 -5.992 -1.247 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 5.183 -7.002 -0.493 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 3.757 -6.531 -0.216 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 2.986 -6.095 -1.460 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 8.190 -7.010 -5.688 0.00 0.00 0.294 C ATOM 15 O UNL d 1 8.896 -6.040 -5.471 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 7.216 -7.105 -6.630 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 7.515 -6.561 -7.929 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 6.651 -5.346 -8.265 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 7.262 -4.024 -7.799 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 6.348 -2.844 -8.101 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: -4.6 2.090 3.506 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 8.775 -7.194 -4.380 0.00 0.00 0.055 C ATOM 2 C UNL d 1 8.902 -6.998 -5.762 0.00 0.00 0.055 C ATOM 3 C UNL d 1 9.376 -6.280 -3.495 0.00 0.00 0.018 C ATOM 4 C UNL d 1 9.777 -6.011 -6.237 0.00 0.00 0.018 C ATOM 5 C UNL d 1 10.195 -5.260 -3.979 0.00 0.00 0.001 C ATOM 6 C UNL d 1 10.435 -5.157 -5.346 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 8.215 -8.421 -3.759 0.00 0.00 0.294 C ATOM 8 O UNL d 1 8.884 -9.421 -3.565 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 6.864 -8.329 -3.715 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 6.203 -8.530 -2.448 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 4.942 -7.691 -2.260 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 5.067 -6.597 -1.202 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 4.024 -6.676 -0.090 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 8.151 -7.786 -6.758 0.00 0.00 0.294 C ATOM 15 O UNL d 1 8.538 -8.848 -7.214 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 7.052 -7.090 -7.152 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 7.124 -6.438 -8.433 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 6.404 -5.089 -8.442 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 7.102 -4.028 -7.591 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 8.253 -3.371 -8.342 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