MODEL 1 REMARK VINA RESULT: -4.6 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 21.685 5.035 -11.417 0.00 0.00 0.104 N ATOM 2 H UNL d 1 22.511 5.126 -12.028 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 21.762 6.181 -10.467 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 22.743 7.506 -11.185 0.00 0.00 0.264 P ATOM 5 O UNL d 1 23.908 7.983 -10.382 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 23.123 6.943 -12.634 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 23.172 5.968 -12.655 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 21.687 8.659 -11.552 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 22.005 9.259 -12.253 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 20.466 5.282 -12.254 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 20.409 4.368 -13.470 0.00 0.00 0.168 C ATOM 12 O UNL d 1 19.718 4.575 -14.455 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 21.177 3.263 -13.326 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 22.081 3.471 -13.646 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 2 REMARK VINA RESULT: -4.3 1.664 2.050 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 20.950 4.334 -12.826 0.00 0.00 0.104 N ATOM 2 H UNL d 1 21.928 4.562 -13.063 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 20.528 5.368 -11.838 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 21.966 6.267 -11.241 0.00 0.00 0.264 P ATOM 5 O UNL d 1 22.940 5.493 -10.413 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 22.586 6.902 -12.574 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 23.508 7.199 -12.451 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 21.374 7.567 -10.507 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 20.520 7.401 -10.066 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 20.114 4.574 -14.047 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 20.319 3.498 -15.104 0.00 0.00 0.168 C ATOM 12 O UNL d 1 21.408 3.064 -15.442 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 19.157 3.100 -15.673 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 18.665 2.554 -15.023 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 3 REMARK VINA RESULT: -4.1 2.045 4.800 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 22.532 6.421 -11.962 0.00 0.00 0.104 N ATOM 2 H UNL d 1 22.816 5.433 -12.038 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 21.055 6.429 -12.166 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 20.474 4.760 -12.498 0.00 0.00 0.264 P ATOM 5 O UNL d 1 20.412 4.349 -13.933 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 21.426 3.848 -11.589 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 21.001 3.008 -11.330 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 19.073 4.640 -11.724 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 19.177 4.533 -10.760 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 22.748 6.854 -10.544 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 23.196 8.306 -10.448 0.00 0.00 0.168 C ATOM 12 O UNL d 1 22.438 9.263 -10.470 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 24.542 8.432 -10.382 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 24.768 8.914 -9.559 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 4 REMARK VINA RESULT: -4.0 1.647 1.840 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 20.882 4.293 -12.788 0.00 0.00 0.104 N ATOM 2 H UNL d 1 21.868 4.494 -13.015 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 20.489 5.318 -11.780 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 21.936 6.248 -11.255 0.00 0.00 0.264 P ATOM 5 O UNL d 1 22.932 5.515 -10.417 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 22.523 6.826 -12.628 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 22.915 7.714 -12.521 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 21.355 7.576 -10.565 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 21.226 8.309 -11.196 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 20.061 4.587 -14.008 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 20.213 3.513 -15.075 0.00 0.00 0.168 C ATOM 12 O UNL d 1 19.291 3.063 -15.737 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 21.486 3.067 -15.186 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 21.462 2.115 -15.421 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 5 REMARK VINA RESULT: -3.9 2.217 2.553 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 23.056 6.935 -11.713 0.00 0.00 0.104 N ATOM 2 H UNL d 1 23.413 6.340 -12.475 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 21.945 7.728 -12.312 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 21.507 9.089 -11.223 0.00 0.00 0.264 P ATOM 5 O UNL d 1 22.606 9.650 -10.382 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 20.822 10.148 -12.210 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 21.235 10.155 -13.094 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 20.244 8.565 -10.382 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 20.481 7.890 -9.718 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 22.415 6.042 -10.694 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 21.435 5.063 -11.324 0.00 0.00 0.168 C ATOM 12 O UNL d 1 20.413 5.390 -11.906 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 21.793 3.772 -11.130 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 22.222 3.698 -10.251 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 6 REMARK VINA RESULT: -3.9 2.040 4.751 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 22.767 6.368 -11.704 0.00 0.00 0.104 N ATOM 2 H UNL d 1 22.900 5.361 -11.522 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 21.445 6.479 -12.383 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 20.589 4.899 -12.319 0.00 0.00 0.264 P ATOM 5 O UNL d 1 19.158 4.933 -11.894 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 20.833 4.286 -13.778 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 21.461 3.539 -13.768 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 21.517 3.954 -11.411 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 22.387 3.771 -11.814 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 22.604 7.056 -10.382 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 22.906 8.545 -10.468 0.00 0.00 0.168 C ATOM 12 O UNL d 1 22.061 9.410 -10.635 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 24.230 8.813 -10.386 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 24.723 7.970 -10.481 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 7 REMARK VINA RESULT: -3.7 2.095 4.398 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 21.222 7.340 -11.711 0.00 0.00 0.104 N ATOM 2 H UNL d 1 21.661 8.199 -12.076 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 21.663 6.248 -12.625 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 20.665 4.779 -12.350 0.00 0.00 0.264 P ATOM 5 O UNL d 1 19.267 5.003 -11.872 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 20.772 3.992 -13.740 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 21.237 4.508 -14.426 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 21.544 3.848 -11.382 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 21.116 3.681 -10.521 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 21.843 7.035 -10.382 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 23.359 6.927 -10.467 0.00 0.00 0.168 C ATOM 12 O UNL d 1 24.108 7.876 -10.633 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 23.794 5.648 -10.384 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 24.706 5.607 -10.743 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 8 REMARK VINA RESULT: -3.7 1.755 2.188 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 20.872 4.252 -12.939 0.00 0.00 0.104 N ATOM 2 H UNL d 1 21.858 4.475 -13.144 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 20.444 5.246 -11.913 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 21.872 6.155 -11.309 0.00 0.00 0.264 P ATOM 5 O UNL d 1 21.594 7.294 -10.383 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 22.807 5.012 -10.692 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 23.169 5.257 -9.819 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 22.693 6.571 -12.625 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 23.466 5.998 -12.789 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 20.066 4.560 -14.164 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 20.262 3.520 -15.258 0.00 0.00 0.168 C ATOM 12 O UNL d 1 19.370 3.103 -15.980 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 21.534 3.063 -15.319 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 22.141 3.807 -15.114 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 9 REMARK VINA RESULT: -3.5 2.475 5.156 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 21.125 5.205 -13.361 0.00 0.00 0.104 N ATOM 2 H UNL d 1 21.829 4.453 -13.312 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 19.865 4.542 -13.805 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 20.077 3.868 -15.458 0.00 0.00 0.264 P ATOM 5 O UNL d 1 18.940 3.064 -16.000 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 20.459 5.151 -16.335 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 20.291 5.989 -15.864 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 21.473 3.076 -15.414 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 22.121 3.409 -16.062 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 20.863 5.681 -11.964 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 21.689 6.910 -11.612 0.00 0.00 0.168 C ATOM 12 O UNL d 1 21.292 7.831 -10.916 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 22.910 6.900 -12.196 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 23.432 6.165 -11.811 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL