MODEL 1 REMARK VINA RESULT: -4.8 0.000 0.000 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 8.267 -16.790 3.240 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 9.471 -15.242 2.023 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.068 -15.860 3.200 0.00 0.00 0.265 C ATOM 4 H UNL d 1 9.914 -14.326 2.057 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.664 -15.322 4.452 0.00 0.00 0.036 A ATOM 6 C UNL d 1 9.869 -16.145 5.560 0.00 0.00 0.036 A ATOM 7 C UNL d 1 10.402 -15.572 6.698 0.00 0.00 0.117 A ATOM 8 N UNL d 1 10.736 -14.268 6.793 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 10.511 -13.494 5.707 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.978 -13.967 4.524 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 8.929 -15.674 0.796 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 9.702 -15.795 0.136 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 8.579 -16.633 0.946 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 2 REMARK VINA RESULT: -4.7 0.080 1.494 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 8.318 -16.871 3.247 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 9.371 -15.217 2.028 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.032 -15.872 3.205 0.00 0.00 0.265 C ATOM 4 H UNL d 1 9.730 -14.265 2.061 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.585 -15.285 4.455 0.00 0.00 0.036 A ATOM 6 C UNL d 1 9.883 -13.925 4.537 0.00 0.00 0.036 A ATOM 7 C UNL d 1 10.420 -13.454 5.720 0.00 0.00 0.117 A ATOM 8 N UNL d 1 10.665 -14.234 6.793 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 10.379 -15.550 6.677 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.846 -16.122 5.537 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 8.862 -15.694 0.802 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 8.487 -14.894 0.285 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 9.672 -15.995 0.240 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 3 REMARK VINA RESULT: -4.7 1.878 4.078 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 10.515 -15.017 6.762 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.686 -12.986 5.679 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 10.346 -14.330 5.758 0.00 0.00 0.265 C ATOM 4 H UNL d 1 10.778 -12.538 4.769 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.754 -14.922 4.529 0.00 0.00 0.036 A ATOM 6 C UNL d 1 9.023 -16.109 4.585 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.526 -16.616 3.400 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.705 -16.024 2.200 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 9.430 -14.883 2.177 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.975 -14.298 3.303 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 11.281 -12.358 6.793 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 11.423 -13.069 7.515 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 12.238 -12.095 6.512 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 4 REMARK VINA RESULT: -4.7 1.884 4.322 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 10.501 -15.000 6.771 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.697 -12.980 5.671 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 10.355 -14.324 5.756 0.00 0.00 0.265 C ATOM 4 H UNL d 1 10.809 -12.541 4.760 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.793 -14.928 4.519 0.00 0.00 0.036 A ATOM 6 C UNL d 1 9.976 -14.320 3.277 0.00 0.00 0.036 A ATOM 7 C UNL d 1 9.403 -14.923 2.174 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.684 -16.064 2.234 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 8.513 -16.621 3.454 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.039 -16.095 4.618 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 11.264 -12.340 6.793 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 10.544 -12.282 7.519 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 11.960 -12.992 7.187 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 5 REMARK VINA RESULT: -4.5 1.180 1.315 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 8.498 -16.633 3.274 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 9.341 -14.856 2.066 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 8.956 -15.494 3.238 0.00 0.00 0.265 C ATOM 4 H UNL d 1 9.457 -13.845 2.053 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.120 -14.706 4.489 0.00 0.00 0.036 A ATOM 6 C UNL d 1 8.081 -14.606 5.415 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.295 -13.835 6.541 0.00 0.00 0.117 A ATOM 8 N UNL d 1 9.448 -13.181 6.793 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 10.430 -13.286 5.869 0.00 0.00 0.117 A ATOM 10 C UNL d 1 10.316 -14.026 4.708 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 9.189 -15.525 0.834 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 8.205 -15.459 0.560 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 9.682 -14.961 0.126 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 6 REMARK VINA RESULT: -4.3 2.254 4.139 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 11.013 -13.257 5.306 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 8.848 -12.838 5.987 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.816 -13.528 5.269 0.00 0.00 0.265 C ATOM 4 H UNL d 1 7.868 -12.919 5.725 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.320 -14.644 4.420 0.00 0.00 0.036 A ATOM 6 C UNL d 1 8.678 -15.745 4.987 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.268 -16.757 4.140 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.450 -16.734 2.804 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 9.088 -15.660 2.287 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.543 -14.599 3.046 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 9.234 -11.747 6.793 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 8.390 -11.359 7.223 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 9.761 -12.137 7.589 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 7 REMARK VINA RESULT: -4.3 1.972 2.546 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 9.982 -14.240 3.230 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 8.961 -15.932 2.036 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.391 -15.317 3.205 0.00 0.00 0.265 C ATOM 4 H UNL d 1 8.724 -16.922 2.041 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.100 -16.048 4.467 0.00 0.00 0.036 A ATOM 6 C UNL d 1 9.985 -15.998 5.545 0.00 0.00 0.036 A ATOM 7 C UNL d 1 9.664 -16.724 6.676 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.546 -17.470 6.793 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 7.717 -17.510 5.726 0.00 0.00 0.117 A ATOM 10 C UNL d 1 7.948 -16.827 4.548 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 9.225 -15.317 0.795 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 9.854 -14.527 0.964 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 9.799 -15.978 0.251 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 8 REMARK VINA RESULT: -4.2 2.311 4.139 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 8.849 -12.734 6.675 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.998 -12.781 5.832 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.680 -13.215 5.909 0.00 0.00 0.265 C ATOM 4 H UNL d 1 11.701 -13.370 5.391 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 9.311 -14.330 4.997 0.00 0.00 0.036 A ATOM 6 C UNL d 1 8.497 -15.375 5.435 0.00 0.00 0.036 A ATOM 7 C UNL d 1 8.218 -16.391 4.541 0.00 0.00 0.117 A ATOM 8 N UNL d 1 8.684 -16.424 3.276 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 9.482 -15.404 2.886 0.00 0.00 0.117 A ATOM 10 C UNL d 1 9.826 -14.344 3.703 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 11.434 -11.747 6.686 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 11.837 -11.008 6.103 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 10.588 -11.314 7.086 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 9 REMARK VINA RESULT: -3.7 2.560 3.992 REMARK 2 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: N_2 and N_4 REMARK I between atoms: N_2 and C_8 REMARK 2 A between atoms: C_5 and C_8 ROOT ATOM 1 O UNL d 1 10.328 -13.929 3.647 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 10.082 -13.791 5.938 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 9.822 -14.339 4.689 0.00 0.00 0.265 C ATOM 4 H UNL d 1 9.453 -13.979 6.716 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 8.866 -15.478 4.667 0.00 0.00 0.036 A ATOM 6 C UNL d 1 8.925 -16.445 3.663 0.00 0.00 0.036 A ATOM 7 C UNL d 1 7.988 -17.459 3.690 0.00 0.00 0.117 A ATOM 8 N UNL d 1 7.028 -17.566 4.632 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 6.988 -16.606 5.583 0.00 0.00 0.117 A ATOM 10 C UNL d 1 7.874 -15.547 5.642 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 10.955 -12.689 6.040 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 11.047 -12.451 7.031 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 11.894 -13.027 5.779 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL