MODEL 1 REMARK VINA RESULT: 0.9 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 23.361 -3.942 -0.254 0.00 0.00 0.104 N ATOM 2 H UNL d 1 23.307 -4.865 -0.711 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 22.905 -4.165 1.148 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 21.351 -5.069 1.150 0.00 0.00 0.264 P ATOM 5 O UNL d 1 21.296 -6.300 1.995 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 20.272 -3.951 1.538 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 19.425 -4.337 1.833 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 21.011 -5.325 -0.398 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 20.320 -4.727 -0.742 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 24.808 -3.562 -0.155 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 25.445 -3.365 -1.523 0.00 0.00 0.168 C ATOM 12 O UNL d 1 26.647 -3.302 -1.720 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 24.527 -3.220 -2.507 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 23.679 -3.604 -2.200 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 2 REMARK VINA RESULT: 1.5 0.183 1.391 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 23.385 -4.054 -0.249 0.00 0.00 0.104 N ATOM 2 H UNL d 1 23.403 -5.053 -0.504 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 22.855 -4.008 1.144 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 21.277 -4.864 1.228 0.00 0.00 0.264 P ATOM 5 O UNL d 1 20.126 -4.089 1.782 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 21.061 -5.392 -0.268 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 21.884 -5.372 -0.793 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 21.581 -6.231 2.014 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 22.337 -6.159 2.626 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 24.803 -3.576 -0.160 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 25.445 -3.424 -1.532 0.00 0.00 0.168 C ATOM 12 O UNL d 1 26.647 -3.465 -1.738 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 24.536 -3.190 -2.507 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 24.528 -3.960 -3.115 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 3 REMARK VINA RESULT: 2.3 2.897 5.137 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 21.159 -4.953 1.668 0.00 0.00 0.104 N ATOM 2 H UNL d 1 21.972 -4.930 2.302 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 21.716 -4.764 0.298 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 23.373 -4.074 0.401 0.00 0.00 0.264 P ATOM 5 O UNL d 1 23.988 -3.623 -0.884 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 23.229 -2.925 1.506 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 23.729 -2.120 1.274 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 24.239 -5.175 1.187 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 23.689 -5.847 1.631 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 20.599 -6.344 1.690 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 21.400 -7.272 2.592 0.00 0.00 0.168 C ATOM 12 O UNL d 1 22.496 -7.004 3.056 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 20.785 -8.461 2.792 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 20.038 -8.533 2.160 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 4 REMARK VINA RESULT: 3.1 3.540 5.741 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 22.332 -7.061 2.465 0.00 0.00 0.104 N ATOM 2 H UNL d 1 22.247 -7.269 1.458 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 21.658 -5.746 2.660 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 21.637 -4.833 1.111 0.00 0.00 0.264 P ATOM 5 O UNL d 1 22.851 -4.019 0.802 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 21.298 -5.957 0.023 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 22.061 -6.164 -0.550 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 20.274 -3.986 1.140 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 20.421 -3.029 1.261 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 21.500 -8.060 3.212 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 20.143 -8.279 2.559 0.00 0.00 0.168 C ATOM 12 O UNL d 1 19.524 -7.421 1.951 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 19.663 -9.529 2.764 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 20.087 -10.133 2.118 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 5 REMARK VINA RESULT: 3.2 3.720 4.992 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 21.637 -6.333 2.746 0.00 0.00 0.104 N ATOM 2 H UNL d 1 22.493 -5.776 2.601 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 21.018 -6.472 1.398 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 21.181 -4.931 0.487 0.00 0.00 0.264 P ATOM 5 O UNL d 1 20.975 -5.004 -0.991 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 20.177 -3.942 1.247 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 20.085 -4.161 2.194 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 22.609 -4.337 0.917 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 23.202 -4.180 0.158 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 22.051 -7.716 3.149 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 23.508 -7.776 3.586 0.00 0.00 0.168 C ATOM 12 O UNL d 1 24.343 -8.519 3.097 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 23.776 -6.942 4.617 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 24.445 -7.368 5.194 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 6 REMARK VINA RESULT: 3.6 2.549 3.229 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 21.416 -4.849 1.590 0.00 0.00 0.104 N ATOM 2 H UNL d 1 20.753 -4.059 1.592 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 20.573 -6.078 1.576 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 21.379 -7.384 2.512 0.00 0.00 0.264 P ATOM 5 O UNL d 1 22.364 -6.952 3.548 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 20.154 -8.244 3.080 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 20.448 -9.048 3.549 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 21.988 -8.378 1.408 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 22.189 -7.933 0.563 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 22.139 -4.838 0.277 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 23.296 -3.849 0.266 0.00 0.00 0.168 C ATOM 12 O UNL d 1 24.111 -3.752 -0.637 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 23.357 -3.108 1.398 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 23.382 -3.718 2.166 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 7 REMARK VINA RESULT: 3.8 3.333 5.631 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 21.896 -6.570 2.923 0.00 0.00 0.104 N ATOM 2 H UNL d 1 22.748 -6.353 3.463 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 22.276 -6.395 1.492 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 21.616 -4.843 0.869 0.00 0.00 0.264 P ATOM 5 O UNL d 1 20.402 -4.310 1.557 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 22.881 -3.862 0.902 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 22.626 -2.930 1.042 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 21.424 -5.072 -0.709 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 21.949 -5.818 -1.054 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 21.604 -8.031 3.091 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 20.201 -8.393 2.627 0.00 0.00 0.168 C ATOM 12 O UNL d 1 19.740 -9.523 2.647 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 19.523 -7.328 2.139 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 19.449 -7.427 1.166 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 8 REMARK VINA RESULT: 3.8 2.528 3.317 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 21.645 -4.920 1.618 0.00 0.00 0.104 N ATOM 2 H UNL d 1 21.112 -4.065 1.839 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 20.631 -6.009 1.528 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 21.175 -7.432 2.482 0.00 0.00 0.264 P ATOM 5 O UNL d 1 20.102 -8.302 3.052 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 22.178 -8.185 1.486 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 21.728 -8.858 0.942 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 22.188 -6.842 3.579 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 21.775 -6.724 4.455 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 22.204 -4.768 0.235 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 23.371 -3.793 0.191 0.00 0.00 0.168 C ATOM 12 O UNL d 1 24.165 -3.711 -0.732 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 23.467 -3.046 1.315 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 22.571 -2.725 1.552 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL MODEL 9 REMARK VINA RESULT: 3.8 2.612 3.376 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 21.253 -5.251 1.335 0.00 0.00 0.104 N ATOM 2 H UNL d 1 20.236 -5.374 1.209 0.00 0.00 0.317 HD ENDROOT BRANCH 1 3 ATOM 3 C UNL d 1 21.815 -6.630 1.405 0.00 0.00 0.394 C BRANCH 3 4 ATOM 4 P UNL d 1 22.207 -7.046 3.110 0.00 0.00 0.264 P ATOM 5 O UNL d 1 23.571 -7.600 3.364 0.00 0.00 -0.652 OA BRANCH 4 6 ATOM 6 O UNL d 1 21.881 -5.695 3.905 0.00 0.00 -0.328 OA ATOM 7 H UNL d 1 22.582 -5.460 4.543 0.00 0.00 0.220 HD ENDBRANCH 4 6 BRANCH 4 8 ATOM 8 O UNL d 1 21.013 -8.004 3.594 0.00 0.00 -0.328 OA ATOM 9 H UNL d 1 20.479 -8.352 2.856 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 21.803 -4.652 0.076 0.00 0.00 0.379 C BRANCH 10 11 ATOM 11 C UNL d 1 23.099 -3.892 0.319 0.00 0.00 0.168 C ATOM 12 O UNL d 1 24.042 -3.874 -0.455 0.00 0.00 -0.649 OA BRANCH 11 13 ATOM 13 O UNL d 1 23.117 -3.267 1.520 0.00 0.00 -0.775 OA ATOM 14 H UNL d 1 22.435 -3.677 2.093 0.00 0.00 0.167 HD ENDBRANCH 11 13 ENDBRANCH 10 11 ENDBRANCH 1 10 TORSDOF 7 ENDMDL