MODEL 1 REMARK VINA RESULT: -4.7 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 31.951 4.659 -41.147 0.00 0.00 0.104 N ATOM 2 H UNL d 1 32.210 5.320 -41.895 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 30.579 4.188 -41.487 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 30.208 4.570 -43.204 0.00 0.00 0.264 P ATOM 5 O UNL d 1 30.196 3.418 -44.156 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 28.825 5.371 -43.116 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 28.924 6.240 -42.682 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 31.234 5.738 -43.606 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 30.922 6.626 -43.349 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 32.837 3.455 -41.271 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 34.016 3.508 -40.311 0.00 0.00 0.168 C ATOM 12 O UNL d 1 34.581 2.525 -39.859 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 34.351 4.774 -39.968 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 35.243 4.967 -40.328 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 2 REMARK VINA RESULT: -4.5 2.979 5.011 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 30.912 5.985 -43.256 0.00 0.00 0.104 N ATOM 2 H UNL d 1 31.743 6.126 -42.661 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 30.668 4.514 -43.258 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 31.444 3.762 -41.821 0.00 0.00 0.264 P ATOM 5 O UNL d 1 32.257 2.533 -42.069 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 32.259 4.974 -41.163 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 33.022 4.668 -40.638 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 30.257 3.556 -40.761 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 30.470 2.899 -40.072 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 29.735 6.591 -42.552 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 29.428 7.995 -43.051 0.00 0.00 0.168 C ATOM 12 O UNL d 1 28.340 8.539 -42.949 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 30.485 8.570 -43.670 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 31.174 7.885 -43.806 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 3 REMARK VINA RESULT: -4.5 0.117 1.401 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 31.961 4.614 -41.272 0.00 0.00 0.104 N ATOM 2 H UNL d 1 32.230 5.194 -42.082 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 30.577 4.142 -41.561 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 30.046 4.749 -43.167 0.00 0.00 0.264 P ATOM 5 O UNL d 1 28.695 5.384 -43.227 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 31.248 5.705 -43.619 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 31.896 5.247 -44.187 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 30.226 3.506 -44.167 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 30.728 3.734 -44.972 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 32.820 3.385 -41.282 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 33.996 3.498 -40.323 0.00 0.00 0.168 C ATOM 12 O UNL d 1 34.585 2.544 -39.840 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 34.298 4.782 -40.019 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 35.265 4.906 -40.122 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 4 REMARK VINA RESULT: -4.3 1.185 1.583 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 31.110 3.394 -41.050 0.00 0.00 0.104 N ATOM 2 H UNL d 1 31.139 4.289 -40.538 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 30.304 3.662 -42.275 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 30.214 5.432 -42.574 0.00 0.00 0.264 P ATOM 5 O UNL d 1 28.862 5.988 -42.880 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 30.913 6.063 -41.280 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 31.428 6.866 -41.488 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 31.311 5.723 -43.710 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 32.173 5.999 -43.346 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 32.498 3.095 -41.532 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 33.563 3.715 -40.639 0.00 0.00 0.168 C ATOM 12 O UNL d 1 34.517 3.107 -40.182 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 33.314 5.016 -40.360 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 32.360 5.112 -40.151 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 5 REMARK VINA RESULT: -4.2 2.698 5.153 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 30.680 6.398 -42.982 0.00 0.00 0.104 N ATOM 2 H UNL d 1 31.604 6.851 -43.055 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 30.806 5.411 -41.872 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 30.669 3.740 -42.520 0.00 0.00 0.264 P ATOM 5 O UNL d 1 31.905 2.902 -42.469 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 29.424 3.132 -41.719 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 28.736 3.801 -41.535 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 30.056 3.909 -43.994 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 29.130 3.609 -44.059 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 29.700 7.426 -42.503 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 28.482 7.526 -43.410 0.00 0.00 0.168 C ATOM 12 O UNL d 1 27.913 8.570 -43.686 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 28.060 6.317 -43.849 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 27.150 6.167 -43.518 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 6 REMARK VINA RESULT: -4.2 0.986 1.229 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 31.877 4.716 -41.107 0.00 0.00 0.104 N ATOM 2 H UNL d 1 32.446 5.497 -40.746 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 31.464 5.125 -42.480 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 30.141 4.057 -43.064 0.00 0.00 0.264 P ATOM 5 O UNL d 1 30.509 3.049 -44.105 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 29.547 3.431 -41.717 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 30.246 3.153 -41.094 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 28.962 5.052 -43.508 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 28.136 4.586 -43.738 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 32.782 3.535 -41.290 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 33.974 3.573 -40.345 0.00 0.00 0.168 C ATOM 12 O UNL d 1 34.542 2.583 -39.913 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 34.317 4.833 -39.991 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 35.017 5.148 -40.604 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 7 REMARK VINA RESULT: -4.1 3.155 4.780 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 29.195 5.486 -42.983 0.00 0.00 0.104 N ATOM 2 H UNL d 1 28.683 5.953 -43.747 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 30.167 4.575 -43.652 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 30.830 3.404 -42.460 0.00 0.00 0.264 P ATOM 5 O UNL d 1 32.102 3.794 -41.780 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 29.600 3.147 -41.469 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 29.827 3.331 -40.537 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 30.913 2.006 -43.245 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 30.510 2.042 -44.133 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 30.025 6.522 -42.285 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 29.822 7.912 -42.872 0.00 0.00 0.168 C ATOM 12 O UNL d 1 28.774 8.534 -42.821 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 30.925 8.374 -43.506 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 31.507 8.802 -42.843 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 8 REMARK VINA RESULT: -4.1 1.319 1.643 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 32.459 4.438 -41.399 0.00 0.00 0.104 N ATOM 2 H UNL d 1 32.773 4.432 -42.382 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 31.010 4.089 -41.443 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 30.325 4.519 -43.048 0.00 0.00 0.264 P ATOM 5 O UNL d 1 30.233 3.415 -44.051 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 28.923 5.200 -42.682 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 28.214 4.952 -43.305 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 31.180 5.783 -43.546 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 30.969 6.602 -43.061 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 33.131 3.298 -40.695 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 33.559 2.200 -41.659 0.00 0.00 0.168 C ATOM 12 O UNL d 1 32.826 1.686 -42.488 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 34.842 1.813 -41.468 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 35.121 1.274 -42.239 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 9 REMARK VINA RESULT: -4.0 2.421 3.131 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 30.813 5.543 -42.788 0.00 0.00 0.104 N ATOM 2 H UNL d 1 30.958 5.309 -43.782 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 29.384 5.954 -42.679 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 29.225 7.713 -43.014 0.00 0.00 0.264 P ATOM 5 O UNL d 1 28.776 8.570 -41.876 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 30.654 8.106 -43.617 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 30.611 8.888 -44.201 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 28.286 7.811 -44.313 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 28.060 8.729 -44.553 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 30.934 4.277 -41.994 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 32.325 4.100 -41.403 0.00 0.00 0.168 C ATOM 12 O UNL d 1 32.989 3.081 -41.499 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 32.737 5.187 -40.710 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 33.707 5.121 -40.578 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL