MODEL 1 REMARK VINA RESULT: -4.0 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 18.376 -30.623 -3.160 0.00 0.00 0.055 C ATOM 2 C UNL d 1 18.264 -31.060 -1.833 0.00 0.00 0.055 C ATOM 3 C UNL d 1 17.974 -29.316 -3.493 0.00 0.00 0.018 C ATOM 4 C UNL d 1 17.582 -30.261 -0.904 0.00 0.00 0.018 C ATOM 5 C UNL d 1 17.352 -28.503 -2.545 0.00 0.00 0.001 C ATOM 6 C UNL d 1 17.111 -28.995 -1.265 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 18.707 -31.508 -4.306 0.00 0.00 0.294 C ATOM 8 O UNL d 1 19.846 -31.869 -4.547 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 17.636 -31.596 -5.132 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 16.520 -32.415 -4.724 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 15.168 -31.712 -4.801 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 14.686 -31.130 -3.474 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 14.700 -32.119 -2.311 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 18.836 -32.333 -1.354 0.00 0.00 0.294 C ATOM 15 O UNL d 1 18.201 -33.370 -1.267 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 20.111 -32.128 -0.934 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 20.358 -32.267 0.478 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 20.596 -30.922 1.164 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 21.101 -29.840 0.210 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 22.621 -29.842 0.111 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: -3.9 1.585 5.399 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 18.745 -30.255 -1.079 0.00 0.00 0.055 C ATOM 2 C UNL d 1 18.977 -30.936 -2.281 0.00 0.00 0.055 C ATOM 3 C UNL d 1 17.894 -29.135 -1.073 0.00 0.00 0.018 C ATOM 4 C UNL d 1 18.514 -30.382 -3.483 0.00 0.00 0.018 C ATOM 5 C UNL d 1 17.385 -28.625 -2.267 0.00 0.00 0.001 C ATOM 6 C UNL d 1 17.737 -29.219 -3.476 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 19.493 -30.504 0.180 0.00 0.00 0.294 C ATOM 8 O UNL d 1 19.174 -31.376 0.970 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 20.350 -29.479 0.406 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 21.688 -29.573 -0.127 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 22.570 -30.602 0.575 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 22.829 -31.867 -0.240 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 22.169 -33.124 0.323 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 19.691 -32.225 -2.351 0.00 0.00 0.294 C ATOM 15 O UNL d 1 20.760 -32.378 -2.917 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 18.923 -33.200 -1.798 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 18.105 -33.969 -2.699 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 16.621 -33.903 -2.339 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 15.853 -32.851 -3.139 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 15.264 -31.775 -2.236 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: -3.9 0.143 5.466 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 18.152 -31.117 -1.940 0.00 0.00 0.055 C ATOM 2 C UNL d 1 18.208 -30.657 -3.263 0.00 0.00 0.055 C ATOM 3 C UNL d 1 17.595 -30.292 -0.945 0.00 0.00 0.018 C ATOM 4 C UNL d 1 17.886 -29.320 -3.538 0.00 0.00 0.018 C ATOM 5 C UNL d 1 17.218 -28.982 -1.240 0.00 0.00 0.001 C ATOM 6 C UNL d 1 17.410 -28.481 -2.525 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 18.825 -32.348 -1.454 0.00 0.00 0.294 C ATOM 8 O UNL d 1 18.218 -33.382 -1.233 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 20.087 -32.049 -1.060 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 20.430 -32.220 0.331 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 20.526 -30.914 1.116 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 20.996 -29.719 0.290 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 22.501 -29.683 0.034 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 18.592 -31.518 -4.397 0.00 0.00 0.294 C ATOM 15 O UNL d 1 19.732 -31.894 -4.607 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 17.516 -31.713 -5.203 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 16.461 -32.545 -4.685 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 15.082 -31.904 -4.843 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 14.601 -31.189 -3.581 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 14.664 -32.098 -2.360 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: -3.9 1.776 5.898 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 18.974 -30.862 -2.384 0.00 0.00 0.055 C ATOM 2 C UNL d 1 18.347 -30.411 -3.554 0.00 0.00 0.055 C ATOM 3 C UNL d 1 19.995 -31.826 -2.475 0.00 0.00 0.018 C ATOM 4 C UNL d 1 18.613 -31.061 -4.768 0.00 0.00 0.018 C ATOM 5 C UNL d 1 20.299 -32.423 -3.698 0.00 0.00 0.001 C ATOM 6 C UNL d 1 19.573 -32.077 -4.834 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 18.505 -30.547 -1.011 0.00 0.00 0.294 C ATOM 8 O UNL d 1 17.451 -30.967 -0.565 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 19.265 -29.552 -0.491 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 20.257 -29.892 0.501 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 21.676 -29.465 0.137 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 22.631 -30.626 -0.133 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 22.157 -31.970 0.413 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 17.411 -29.272 -3.577 0.00 0.00 0.294 C ATOM 15 O UNL d 1 17.632 -28.203 -3.035 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 16.254 -29.648 -4.182 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 15.250 -30.250 -3.344 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 14.971 -31.704 -3.723 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 15.312 -32.694 -2.610 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 16.481 -33.593 -2.993 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: -3.9 2.132 6.002 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 21.444 -31.508 -0.547 0.00 0.00 0.055 C ATOM 2 C UNL d 1 20.912 -32.114 -1.693 0.00 0.00 0.055 C ATOM 3 C UNL d 1 22.670 -31.966 -0.030 0.00 0.00 0.018 C ATOM 4 C UNL d 1 21.507 -33.282 -2.191 0.00 0.00 0.018 C ATOM 5 C UNL d 1 23.290 -33.093 -0.571 0.00 0.00 0.001 C ATOM 6 C UNL d 1 22.682 -33.780 -1.618 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 20.712 -30.533 0.299 0.00 0.00 0.294 C ATOM 8 O UNL d 1 21.057 -29.369 0.406 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 19.832 -31.193 1.091 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 20.009 -31.123 2.522 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 21.015 -32.127 3.077 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 20.492 -33.560 3.158 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 20.754 -34.396 1.907 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 19.742 -31.580 -2.416 0.00 0.00 0.294 C ATOM 15 O UNL d 1 19.818 -30.763 -3.317 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 18.602 -32.049 -1.844 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 17.406 -31.276 -2.056 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 17.139 -30.293 -0.916 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 17.595 -28.868 -1.229 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 17.249 -28.466 -2.657 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: -3.9 1.452 1.690 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 18.275 -29.782 -3.259 0.00 0.00 0.055 C ATOM 2 C UNL d 1 18.462 -30.959 -2.520 0.00 0.00 0.055 C ATOM 3 C UNL d 1 17.643 -28.680 -2.654 0.00 0.00 0.018 C ATOM 4 C UNL d 1 17.851 -31.083 -1.264 0.00 0.00 0.018 C ATOM 5 C UNL d 1 17.092 -28.791 -1.378 0.00 0.00 0.001 C ATOM 6 C UNL d 1 17.153 -30.008 -0.704 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 18.517 -29.666 -4.719 0.00 0.00 0.294 C ATOM 8 O UNL d 1 19.638 -29.605 -5.195 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 17.353 -29.373 -5.349 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 16.347 -30.404 -5.445 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 14.994 -30.014 -4.857 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 14.633 -30.752 -3.570 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 15.129 -32.195 -3.512 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 19.280 -32.088 -3.000 0.00 0.00 0.294 C ATOM 15 O UNL d 1 18.812 -33.130 -3.426 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 20.594 -31.822 -2.782 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 21.276 -32.661 -1.831 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 21.368 -32.019 -0.447 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 21.826 -30.561 -0.489 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 20.820 -29.635 0.182 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: -3.9 1.811 3.060 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 17.824 -32.941 -2.955 0.00 0.00 0.055 C ATOM 2 C UNL d 1 18.972 -32.460 -2.311 0.00 0.00 0.055 C ATOM 3 C UNL d 1 17.736 -32.868 -4.358 0.00 0.00 0.018 C ATOM 4 C UNL d 1 19.924 -31.746 -3.052 0.00 0.00 0.018 C ATOM 5 C UNL d 1 18.720 -32.209 -5.095 0.00 0.00 0.001 C ATOM 6 C UNL d 1 19.788 -31.605 -4.437 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 16.581 -33.351 -2.252 0.00 0.00 0.294 C ATOM 8 O UNL d 1 16.473 -34.426 -1.686 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 15.577 -32.502 -2.577 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 15.572 -31.186 -1.984 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 15.686 -30.046 -2.992 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 17.037 -29.335 -2.986 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 17.413 -28.710 -1.645 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 19.236 -32.671 -0.875 0.00 0.00 0.294 C ATOM 15 O UNL d 1 19.606 -33.732 -0.403 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 18.895 -31.553 -0.182 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 19.886 -31.019 0.714 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 20.464 -29.693 0.222 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 21.989 -29.701 0.115 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 22.508 -31.023 -0.436 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: -3.8 2.520 5.464 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 21.227 -33.009 1.233 0.00 0.00 0.055 C ATOM 2 C UNL d 1 21.190 -31.745 1.838 0.00 0.00 0.055 C ATOM 3 C UNL d 1 20.814 -34.138 1.964 0.00 0.00 0.018 C ATOM 4 C UNL d 1 20.927 -31.652 3.213 0.00 0.00 0.018 C ATOM 5 C UNL d 1 20.493 -34.027 3.317 0.00 0.00 0.001 C ATOM 6 C UNL d 1 20.598 -32.792 3.952 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 21.864 -33.287 -0.079 0.00 0.00 0.294 C ATOM 8 O UNL d 1 23.073 -33.278 -0.236 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 20.920 -33.271 -1.053 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 21.201 -32.544 -2.267 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 20.435 -33.047 -3.488 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 19.223 -32.198 -3.863 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 19.532 -30.716 -4.064 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 21.415 -30.491 1.096 0.00 0.00 0.294 C ATOM 15 O UNL d 1 22.516 -30.091 0.759 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 20.238 -29.824 0.963 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 19.633 -29.834 -0.343 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 18.434 -30.779 -0.422 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 17.226 -30.163 -1.127 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 17.460 -28.697 -1.469 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: -3.8 2.379 5.610 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 21.352 -31.712 1.726 0.00 0.00 0.055 C ATOM 2 C UNL d 1 21.420 -32.982 1.139 0.00 0.00 0.055 C ATOM 3 C UNL d 1 20.930 -31.590 3.063 0.00 0.00 0.018 C ATOM 4 C UNL d 1 20.889 -34.084 1.825 0.00 0.00 0.018 C ATOM 5 C UNL d 1 20.461 -32.703 3.762 0.00 0.00 0.001 C ATOM 6 C UNL d 1 20.394 -33.940 3.125 0.00 0.00 0.001 C ENDROOT BRANCH 1 7 ATOM 7 C UNL d 1 21.503 -30.437 0.980 0.00 0.00 0.294 C ATOM 8 O UNL d 1 22.592 -29.977 0.682 0.00 0.00 -0.259 OA BRANCH 7 9 ATOM 9 O UNL d 1 20.313 -29.789 0.946 0.00 0.00 -0.317 OA BRANCH 9 10 ATOM 10 C UNL d 1 19.626 -29.681 -0.318 0.00 0.00 0.179 C BRANCH 10 11 ATOM 11 C UNL d 1 18.477 -30.670 -0.492 0.00 0.00 0.026 C BRANCH 11 12 ATOM 12 C UNL d 1 17.192 -30.052 -1.037 0.00 0.00 -0.002 C ATOM 13 C UNL d 1 17.382 -28.689 -1.700 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 22.031 -33.226 -0.181 0.00 0.00 0.294 C ATOM 15 O UNL d 1 23.234 -33.296 -0.368 0.00 0.00 -0.259 OA BRANCH 14 16 ATOM 16 O UNL d 1 21.063 -33.241 -1.134 0.00 0.00 -0.317 OA BRANCH 16 17 ATOM 17 C UNL d 1 21.265 -32.388 -2.276 0.00 0.00 0.179 C BRANCH 17 18 ATOM 18 C UNL d 1 20.318 -32.723 -3.428 0.00 0.00 0.026 C BRANCH 18 19 ATOM 19 C UNL d 1 19.566 -31.505 -3.963 0.00 0.00 -0.002 C ATOM 20 C UNL d 1 18.092 -31.810 -4.197 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