MODEL 1 REMARK VINA RESULT: -5.2 0.000 0.000 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 10.611 3.745 -10.249 0.00 0.00 0.104 N ATOM 2 H UNL d 1 9.604 3.607 -10.072 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 11.265 3.673 -8.911 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 10.178 2.846 -7.742 0.00 0.00 0.264 P ATOM 5 O UNL d 1 10.600 1.487 -7.287 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 10.014 3.918 -6.565 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 10.226 4.826 -6.855 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 8.723 2.884 -8.421 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 8.555 3.706 -8.918 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 11.110 2.553 -11.010 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 10.472 2.443 -12.388 0.00 0.00 0.168 C ATOM 12 O UNL d 1 9.960 3.375 -12.986 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 10.489 1.178 -12.868 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 9.800 0.659 -12.401 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 2 REMARK VINA RESULT: -5.2 2.144 4.898 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 9.770 3.126 -9.591 0.00 0.00 0.104 N ATOM 2 H UNL d 1 9.827 4.154 -9.658 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 10.906 2.610 -10.406 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 10.528 2.774 -12.156 0.00 0.00 0.264 P ATOM 5 O UNL d 1 10.219 1.512 -12.893 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 9.352 3.860 -12.181 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 8.475 3.464 -12.017 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 11.753 3.608 -12.775 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 11.727 3.659 -13.749 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 10.078 2.741 -8.175 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 10.663 3.899 -7.379 0.00 0.00 0.168 C ATOM 12 O UNL d 1 11.856 4.142 -7.293 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 9.715 4.614 -6.729 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 8.846 4.422 -7.140 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 3 REMARK VINA RESULT: -5.2 1.842 4.494 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 11.609 3.318 -9.785 0.00 0.00 0.104 N ATOM 2 H UNL d 1 12.566 3.693 -9.693 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 11.693 2.264 -10.835 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 10.527 2.622 -12.156 0.00 0.00 0.264 P ATOM 5 O UNL d 1 9.939 1.445 -12.863 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 9.453 3.578 -11.454 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 9.394 4.452 -11.884 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 11.292 3.649 -13.125 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 11.786 3.205 -13.839 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 11.273 2.599 -8.513 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 9.895 2.974 -7.988 0.00 0.00 0.168 C ATOM 12 O UNL d 1 8.865 2.892 -8.637 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 9.934 3.458 -6.724 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 10.859 3.405 -6.400 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 4 REMARK VINA RESULT: -5.1 0.703 1.532 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 11.327 3.306 -10.051 0.00 0.00 0.104 N ATOM 2 H UNL d 1 10.379 3.708 -10.107 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 11.302 2.390 -8.875 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 10.041 2.923 -7.710 0.00 0.00 0.264 P ATOM 5 O UNL d 1 10.299 4.206 -6.989 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 8.700 2.912 -8.584 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 8.057 3.586 -8.289 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 9.806 1.666 -6.739 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 9.935 1.882 -5.797 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 11.525 2.426 -11.248 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 10.321 2.444 -12.180 0.00 0.00 0.168 C ATOM 12 O UNL d 1 9.501 3.347 -12.227 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 10.226 1.321 -12.928 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 9.823 0.615 -12.379 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 5 REMARK VINA RESULT: -5.1 1.889 4.524 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 11.872 3.119 -9.756 0.00 0.00 0.104 N ATOM 2 H UNL d 1 12.882 3.180 -9.557 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 11.750 2.195 -10.919 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 10.465 2.778 -12.033 0.00 0.00 0.264 P ATOM 5 O UNL d 1 9.366 3.583 -11.420 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 11.285 3.540 -13.178 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 12.250 3.480 -13.048 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 9.958 1.469 -12.813 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 9.079 1.166 -12.519 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 11.219 2.413 -8.605 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 10.107 3.243 -7.979 0.00 0.00 0.168 C ATOM 12 O UNL d 1 10.283 4.100 -7.129 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 8.880 2.895 -8.433 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 8.989 2.405 -9.276 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 6 REMARK VINA RESULT: -5.0 0.304 1.394 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 11.004 3.867 -10.183 0.00 0.00 0.104 N ATOM 2 H UNL d 1 9.981 3.977 -10.107 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 11.476 3.571 -8.800 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 10.114 2.944 -7.809 0.00 0.00 0.264 P ATOM 5 O UNL d 1 8.816 2.732 -8.517 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 10.722 1.627 -7.132 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 10.466 0.813 -7.605 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 10.016 3.939 -6.552 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 9.813 4.859 -6.808 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 11.274 2.625 -10.979 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 10.341 2.494 -12.174 0.00 0.00 0.168 C ATOM 12 O UNL d 1 9.513 3.331 -12.496 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 10.492 1.317 -12.825 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 9.666 0.798 -12.723 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 7 REMARK VINA RESULT: -5.0 1.824 2.279 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 11.153 2.483 -9.751 0.00 0.00 0.104 N ATOM 2 H UNL d 1 10.555 1.674 -9.520 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 12.406 2.289 -8.968 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 12.229 0.875 -7.870 0.00 0.00 0.264 P ATOM 5 O UNL d 1 12.230 -0.473 -8.514 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 13.392 1.095 -6.792 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 13.105 0.879 -5.885 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 10.916 1.181 -6.998 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 10.693 0.461 -6.379 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 11.551 2.365 -11.191 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 10.352 2.434 -12.126 0.00 0.00 0.168 C ATOM 12 O UNL d 1 9.542 3.347 -12.141 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 10.248 1.342 -12.919 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 9.907 0.597 -12.379 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 8 REMARK VINA RESULT: -5.0 1.922 4.576 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 11.814 3.061 -9.765 0.00 0.00 0.104 N ATOM 2 H UNL d 1 12.831 3.132 -9.609 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 11.648 2.077 -10.872 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 10.616 2.779 -12.166 0.00 0.00 0.264 P ATOM 5 O UNL d 1 11.298 3.668 -13.154 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 9.904 1.497 -12.809 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 10.464 1.052 -13.472 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 9.393 3.478 -11.396 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 8.818 2.840 -10.934 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 11.207 2.418 -8.555 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 10.084 3.256 -7.960 0.00 0.00 0.168 C ATOM 12 O UNL d 1 10.249 4.151 -7.148 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 8.862 2.871 -8.396 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 8.916 2.698 -9.360 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 9 REMARK VINA RESULT: -5.0 1.045 1.980 REMARK 7 active torsions: REMARK status: ('A' for Active; 'I' for Inactive) REMARK 1 A between atoms: P_1 and O_2 REMARK 2 A between atoms: P_1 and O_3 REMARK 3 A between atoms: P_1 and C_8 REMARK 4 A between atoms: O_5 and C_10 REMARK 5 A between atoms: N_7 and C_8 REMARK 6 A between atoms: N_7 and C_9 REMARK 7 A between atoms: C_9 and C_10 ROOT ATOM 1 N UNL d 1 11.880 1.926 -10.137 0.00 0.00 0.104 N ATOM 2 H UNL d 1 12.801 1.463 -10.184 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 12.003 2.950 -9.061 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 10.596 2.840 -7.948 0.00 0.00 0.264 P ATOM 5 O UNL d 1 9.243 2.952 -8.570 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 10.852 1.470 -7.161 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 10.358 0.721 -7.546 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 10.880 3.930 -6.803 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 10.247 4.673 -6.818 0.00 0.00 0.220 HD ENDBRANCH 4 8 ENDBRANCH 3 4 ENDBRANCH 1 3 BRANCH 1 10 ATOM 10 C UNL d 1 11.687 2.694 -11.410 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 10.288 2.515 -11.983 0.00 0.00 0.168 C ATOM 12 O UNL d 1 9.971 1.630 -12.761 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 9.431 3.479 -11.572 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 9.208 4.044 -12.341 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL