MODEL 1 REMARK VINA RESULT: -5.7 0.000 0.000 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 9.977 -15.430 6.432 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 9.626 -15.490 4.959 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 8.916 -16.581 4.433 0.00 0.00 0.010 A ATOM 4 C UNL d 1 8.639 -16.660 3.064 0.00 0.00 0.037 A ATOM 5 C UNL d 1 9.080 -15.649 2.217 0.00 0.00 0.065 A ATOM 6 C UNL d 1 9.773 -14.557 2.718 0.00 0.00 0.037 A ATOM 7 C UNL d 1 10.045 -14.473 4.086 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 8.852 -15.693 0.874 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 9.688 -15.515 0.412 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 9.918 -14.030 7.003 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 8.683 -13.432 7.302 0.00 0.00 0.010 A ATOM 12 C UNL d 1 8.618 -12.106 7.741 0.00 0.00 0.037 A ATOM 13 C UNL d 1 9.792 -11.377 7.894 0.00 0.00 0.065 A ATOM 14 C UNL d 1 11.027 -11.962 7.644 0.00 0.00 0.037 A ATOM 15 C UNL d 1 11.091 -13.283 7.194 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 9.770 -10.073 8.293 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 9.052 -9.963 8.937 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4 ENDMDL MODEL 2 REMARK VINA RESULT: -5.6 0.209 1.264 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 10.132 -15.393 6.463 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 9.842 -15.484 4.979 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 10.258 -14.472 4.101 0.00 0.00 0.010 A ATOM 4 C UNL d 1 9.943 -14.531 2.739 0.00 0.00 0.037 A ATOM 5 C UNL d 1 9.203 -15.604 2.255 0.00 0.00 0.065 A ATOM 6 C UNL d 1 8.790 -16.622 3.103 0.00 0.00 0.037 A ATOM 7 C UNL d 1 9.111 -16.566 4.462 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 8.854 -15.695 0.940 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 7.908 -15.910 0.885 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 9.941 -14.002 7.026 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 8.670 -13.563 7.430 0.00 0.00 0.010 A ATOM 12 C UNL d 1 8.471 -12.249 7.862 0.00 0.00 0.037 A ATOM 13 C UNL d 1 9.548 -11.371 7.903 0.00 0.00 0.065 A ATOM 14 C UNL d 1 10.823 -11.795 7.547 0.00 0.00 0.037 A ATOM 15 C UNL d 1 11.019 -13.105 7.104 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 9.392 -10.072 8.291 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 9.055 -9.567 7.533 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4 ENDMDL MODEL 3 REMARK VINA RESULT: -5.6 1.351 5.950 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 9.270 -14.898 6.645 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 10.327 -13.920 7.118 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 10.272 -12.567 6.750 0.00 0.00 0.010 A ATOM 4 C UNL d 1 11.276 -11.677 7.144 0.00 0.00 0.037 A ATOM 5 C UNL d 1 12.344 -12.144 7.903 0.00 0.00 0.065 A ATOM 6 C UNL d 1 12.413 -13.475 8.288 0.00 0.00 0.037 A ATOM 7 C UNL d 1 11.406 -14.363 7.900 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 13.357 -11.319 8.293 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 13.769 -10.939 7.499 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 9.305 -15.140 5.151 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 9.893 -14.200 4.289 0.00 0.00 0.010 A ATOM 12 C UNL d 1 9.844 -14.373 2.903 0.00 0.00 0.037 A ATOM 13 C UNL d 1 9.219 -15.496 2.375 0.00 0.00 0.065 A ATOM 14 C UNL d 1 8.668 -16.460 3.210 0.00 0.00 0.037 A ATOM 15 C UNL d 1 8.705 -16.280 4.595 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 9.125 -15.689 1.027 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 8.333 -15.226 0.708 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4 ENDMDL MODEL 4 REMARK VINA RESULT: -5.5 0.647 5.878 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 9.746 -15.306 6.756 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 10.145 -13.917 7.211 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 9.211 -12.869 7.227 0.00 0.00 0.010 A ATOM 4 C UNL d 1 9.593 -11.575 7.597 0.00 0.00 0.037 A ATOM 5 C UNL d 1 10.916 -11.327 7.945 0.00 0.00 0.065 A ATOM 6 C UNL d 1 11.853 -12.350 7.948 0.00 0.00 0.037 A ATOM 7 C UNL d 1 11.471 -13.643 7.585 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 11.340 -10.079 8.293 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 10.560 -9.519 8.448 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 9.598 -15.424 5.255 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 10.026 -14.386 4.411 0.00 0.00 0.010 A ATOM 12 C UNL d 1 9.806 -14.449 3.032 0.00 0.00 0.037 A ATOM 13 C UNL d 1 9.167 -15.559 2.491 0.00 0.00 0.065 A ATOM 14 C UNL d 1 8.773 -16.616 3.301 0.00 0.00 0.037 A ATOM 15 C UNL d 1 8.982 -16.547 4.681 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 8.908 -15.647 1.154 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 9.181 -14.814 0.735 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4 ENDMDL MODEL 5 REMARK VINA RESULT: -5.5 0.779 1.537 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 9.177 -15.200 6.627 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 9.214 -15.320 5.117 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 9.948 -14.409 4.342 0.00 0.00 0.010 A ATOM 4 C UNL d 1 9.939 -14.489 2.945 0.00 0.00 0.037 A ATOM 5 C UNL d 1 9.187 -15.479 2.322 0.00 0.00 0.065 A ATOM 6 C UNL d 1 8.463 -16.396 3.069 0.00 0.00 0.037 A ATOM 7 C UNL d 1 8.478 -16.321 4.464 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 9.131 -15.583 0.964 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 9.445 -16.467 0.708 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 9.855 -13.951 7.145 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 9.160 -12.732 7.201 0.00 0.00 0.010 A ATOM 12 C UNL d 1 9.809 -11.556 7.589 0.00 0.00 0.037 A ATOM 13 C UNL d 1 11.155 -11.599 7.936 0.00 0.00 0.065 A ATOM 14 C UNL d 1 11.851 -12.801 7.928 0.00 0.00 0.037 A ATOM 15 C UNL d 1 11.206 -13.973 7.528 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 11.832 -10.470 8.293 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 11.562 -9.752 7.697 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4 ENDMDL MODEL 6 REMARK VINA RESULT: -5.4 1.355 5.877 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 9.424 -14.808 6.843 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 10.459 -13.784 7.262 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 10.309 -12.430 6.926 0.00 0.00 0.010 A ATOM 4 C UNL d 1 11.291 -11.494 7.268 0.00 0.00 0.037 A ATOM 5 C UNL d 1 12.432 -11.916 7.941 0.00 0.00 0.065 A ATOM 6 C UNL d 1 12.597 -13.248 8.293 0.00 0.00 0.037 A ATOM 7 C UNL d 1 11.612 -14.182 7.958 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 13.426 -11.045 8.277 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 14.276 -11.422 7.995 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 9.354 -15.009 5.345 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 8.736 -16.148 4.805 0.00 0.00 0.010 A ATOM 12 C UNL d 1 8.752 -16.385 3.428 0.00 0.00 0.037 A ATOM 13 C UNL d 1 9.375 -15.474 2.583 0.00 0.00 0.065 A ATOM 14 C UNL d 1 9.956 -14.319 3.091 0.00 0.00 0.037 A ATOM 15 C UNL d 1 9.951 -14.089 4.469 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 9.437 -15.682 1.236 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 10.053 -16.414 1.069 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4 ENDMDL MODEL 7 REMARK VINA RESULT: -5.2 1.481 2.267 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 9.549 -15.165 6.402 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 9.482 -15.292 4.894 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 9.990 -14.282 4.064 0.00 0.00 0.010 A ATOM 4 C UNL d 1 9.881 -14.377 2.672 0.00 0.00 0.037 A ATOM 5 C UNL d 1 9.253 -15.483 2.109 0.00 0.00 0.065 A ATOM 6 C UNL d 1 8.752 -16.499 2.911 0.00 0.00 0.037 A ATOM 7 C UNL d 1 8.868 -16.408 4.301 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 9.104 -15.609 0.761 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 9.293 -14.750 0.346 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 8.559 -14.167 6.962 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 7.178 -14.404 6.874 0.00 0.00 0.010 A ATOM 12 C UNL d 1 6.259 -13.443 7.305 0.00 0.00 0.037 A ATOM 13 C UNL d 1 6.720 -12.245 7.838 0.00 0.00 0.065 A ATOM 14 C UNL d 1 8.082 -12.006 7.974 0.00 0.00 0.037 A ATOM 15 C UNL d 1 9.000 -12.962 7.532 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 5.856 -11.269 8.244 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 6.132 -10.431 7.838 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4 ENDMDL MODEL 8 REMARK VINA RESULT: -5.0 1.345 1.701 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 8.716 -14.136 6.782 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 8.841 -14.608 5.348 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 8.388 -15.880 4.967 0.00 0.00 0.010 A ATOM 4 C UNL d 1 8.551 -16.335 3.654 0.00 0.00 0.037 A ATOM 5 C UNL d 1 9.177 -15.516 2.720 0.00 0.00 0.065 A ATOM 6 C UNL d 1 9.623 -14.250 3.072 0.00 0.00 0.037 A ATOM 7 C UNL d 1 9.453 -13.793 4.381 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 9.378 -15.924 1.435 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 9.470 -15.137 0.872 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 9.918 -13.349 7.259 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 9.889 -11.945 7.282 0.00 0.00 0.010 A ATOM 12 C UNL d 1 11.027 -11.213 7.632 0.00 0.00 0.037 A ATOM 13 C UNL d 1 12.196 -11.884 7.973 0.00 0.00 0.065 A ATOM 14 C UNL d 1 12.235 -13.273 7.998 0.00 0.00 0.037 A ATOM 15 C UNL d 1 11.101 -14.004 7.636 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 13.336 -11.207 8.293 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 13.207 -10.271 8.070 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4 ENDMDL MODEL 9 REMARK VINA RESULT: -4.7 3.208 4.645 REMARK 4 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: O_1 and C_14 REMARK 2 A between atoms: O_2 and C_15 REMARK 3 A between atoms: C_3 and C_4 REMARK 4 A between atoms: C_3 and C_5 ROOT ATOM 1 C UNL d 1 9.688 -15.698 6.463 0.00 0.00 0.077 C ENDROOT BRANCH 1 2 ATOM 2 C UNL d 1 9.615 -15.538 4.959 0.00 0.00 -0.054 A ATOM 3 C UNL d 1 10.050 -14.356 4.339 0.00 0.00 0.010 A ATOM 4 C UNL d 1 9.934 -14.189 2.955 0.00 0.00 0.037 A ATOM 5 C UNL d 1 9.372 -15.204 2.189 0.00 0.00 0.065 A ATOM 6 C UNL d 1 8.944 -16.385 2.779 0.00 0.00 0.037 A ATOM 7 C UNL d 1 9.067 -16.555 4.160 0.00 0.00 0.010 A BRANCH 5 8 ATOM 8 O UNL d 1 9.218 -15.078 0.841 0.00 0.00 -0.361 OA ATOM 9 H UNL d 1 8.864 -14.193 0.651 0.00 0.00 0.217 HD ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 10 ATOM 10 C UNL d 1 8.583 -16.566 7.026 0.00 0.00 -0.054 A ATOM 11 C UNL d 1 8.859 -17.864 7.487 0.00 0.00 0.010 A ATOM 12 C UNL d 1 7.828 -18.703 7.920 0.00 0.00 0.037 A ATOM 13 C UNL d 1 6.517 -18.241 7.905 0.00 0.00 0.065 A ATOM 14 C UNL d 1 6.226 -16.946 7.493 0.00 0.00 0.037 A ATOM 15 C UNL d 1 7.255 -16.112 7.049 0.00 0.00 0.010 A BRANCH 13 16 ATOM 16 O UNL d 1 5.479 -19.037 8.293 0.00 0.00 -0.361 OA ATOM 17 H UNL d 1 4.776 -18.966 7.626 0.00 0.00 0.217 HD ENDBRANCH 13 16 ENDBRANCH 1 10 TORSDOF 4 ENDMDL