MODEL 1 REMARK VINA RESULT: -4.9 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 32.615 2.659 -41.875 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 33.063 4.624 -40.750 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 32.323 3.822 -41.610 0.00 0.00 0.265 C ATOM 4 H UNL d 1 32.943 5.634 -40.769 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 31.128 4.460 -42.223 0.00 0.00 0.036 A ATOM 6 C UNL d 1 30.735 5.748 -41.856 0.00 0.00 0.036 A ATOM 7 C UNL d 1 29.599 6.267 -42.446 0.00 0.00 0.117 A ATOM 8 N UNL d 1 28.856 5.600 -43.354 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 29.254 4.349 -43.677 0.00 0.00 0.117 A ATOM 10 C UNL d 1 30.371 3.737 -43.142 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 34.228 4.102 -40.151 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 34.557 3.324 -40.730 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 34.963 4.818 -40.258 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 2 REMARK VINA RESULT: -4.9 0.084 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 32.616 2.689 -41.977 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 32.978 4.603 -40.738 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 32.280 3.825 -41.653 0.00 0.00 0.265 C ATOM 4 H UNL d 1 32.825 5.608 -40.704 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 31.072 4.455 -42.250 0.00 0.00 0.036 A ATOM 6 C UNL d 1 30.323 3.791 -43.221 0.00 0.00 0.036 A ATOM 7 C UNL d 1 29.229 4.447 -43.751 0.00 0.00 0.117 A ATOM 8 N UNL d 1 28.847 5.686 -43.378 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 29.602 6.310 -42.445 0.00 0.00 0.117 A ATOM 10 C UNL d 1 30.717 5.744 -41.858 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 34.152 4.088 -40.150 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 34.842 3.949 -40.894 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 34.556 4.846 -39.578 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 3 REMARK VINA RESULT: -4.7 1.743 4.413 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 30.274 3.855 -43.587 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 30.172 5.435 -41.907 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.733 4.343 -42.557 0.00 0.00 0.265 C ATOM 4 H UNL d 1 30.418 5.632 -40.939 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 31.949 3.767 -41.924 0.00 0.00 0.036 A ATOM 6 C UNL d 1 32.406 2.496 -42.274 0.00 0.00 0.036 A ATOM 7 C UNL d 1 33.526 2.014 -41.626 0.00 0.00 0.117 A ATOM 8 N UNL d 1 34.200 2.704 -40.683 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 33.725 3.927 -40.356 0.00 0.00 0.117 A ATOM 10 C UNL d 1 32.610 4.498 -40.939 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 28.999 6.020 -42.428 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 28.835 5.621 -43.356 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 28.213 5.664 -41.863 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 4 REMARK VINA RESULT: -4.7 1.745 4.129 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 30.181 3.880 -43.690 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 30.106 5.528 -42.075 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.639 4.392 -42.671 0.00 0.00 0.265 C ATOM 4 H UNL d 1 30.342 5.753 -41.111 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 31.822 3.798 -41.993 0.00 0.00 0.036 A ATOM 6 C UNL d 1 32.532 4.518 -41.031 0.00 0.00 0.036 A ATOM 7 C UNL d 1 33.637 3.914 -40.463 0.00 0.00 0.117 A ATOM 8 N UNL d 1 34.060 2.673 -40.783 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 33.359 2.008 -41.729 0.00 0.00 0.117 A ATOM 10 C UNL d 1 32.244 2.523 -42.362 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 28.965 6.133 -42.640 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 28.899 7.086 -42.270 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 29.166 6.270 -43.642 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 5 REMARK VINA RESULT: -4.6 2.399 4.094 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 28.816 5.391 -43.146 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 30.674 6.708 -42.768 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.017 5.492 -42.911 0.00 0.00 0.265 C ATOM 4 H UNL d 1 31.586 6.743 -42.319 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 30.861 4.278 -42.753 0.00 0.00 0.036 A ATOM 6 C UNL d 1 30.644 3.147 -43.540 0.00 0.00 0.036 A ATOM 7 C UNL d 1 31.448 2.045 -43.320 0.00 0.00 0.117 A ATOM 8 N UNL d 1 32.429 2.008 -42.394 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 32.605 3.115 -41.637 0.00 0.00 0.117 A ATOM 10 C UNL d 1 31.852 4.265 -41.773 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 29.938 7.906 -42.874 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 29.695 8.040 -43.860 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 29.029 7.739 -42.416 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 6 REMARK VINA RESULT: -4.6 1.381 2.038 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 33.422 4.704 -40.335 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 33.333 2.591 -41.261 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 32.875 3.889 -41.074 0.00 0.00 0.265 C ATOM 4 H UNL d 1 32.714 1.887 -41.658 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 31.647 4.258 -41.828 0.00 0.00 0.036 A ATOM 6 C UNL d 1 31.063 3.365 -42.727 0.00 0.00 0.036 A ATOM 7 C UNL d 1 29.939 3.785 -43.413 0.00 0.00 0.117 A ATOM 8 N UNL d 1 29.379 5.002 -43.256 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 29.977 5.849 -42.388 0.00 0.00 0.117 A ATOM 10 C UNL d 1 31.105 5.530 -41.659 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 34.475 2.155 -40.559 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 34.340 2.378 -39.569 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 34.464 1.123 -40.583 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 7 REMARK VINA RESULT: -4.3 2.386 4.221 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 30.747 7.026 -42.019 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 29.014 6.415 -43.416 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.166 6.169 -42.679 0.00 0.00 0.265 C ATOM 4 H UNL d 1 28.727 5.764 -44.143 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 30.685 4.777 -42.734 0.00 0.00 0.036 A ATOM 6 C UNL d 1 30.204 3.870 -43.680 0.00 0.00 0.036 A ATOM 7 C UNL d 1 30.712 2.585 -43.656 0.00 0.00 0.117 A ATOM 8 N UNL d 1 31.644 2.166 -42.775 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 32.079 3.064 -41.862 0.00 0.00 0.117 A ATOM 10 C UNL d 1 31.631 4.370 -41.798 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 28.475 7.719 -43.439 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 27.714 7.732 -44.124 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 27.997 7.859 -42.536 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 8 REMARK VINA RESULT: -3.8 2.416 3.849 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 28.814 5.460 -43.150 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 30.697 6.742 -42.776 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.015 5.539 -42.901 0.00 0.00 0.265 C ATOM 4 H UNL d 1 31.604 6.766 -42.315 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 30.828 4.310 -42.705 0.00 0.00 0.036 A ATOM 6 C UNL d 1 31.854 4.272 -41.760 0.00 0.00 0.036 A ATOM 7 C UNL d 1 32.587 3.106 -41.651 0.00 0.00 0.117 A ATOM 8 N UNL d 1 32.361 2.008 -42.402 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 31.370 2.081 -43.319 0.00 0.00 0.117 A ATOM 10 C UNL d 1 30.583 3.200 -43.511 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 29.990 7.954 -42.919 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 29.499 8.137 -42.039 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 30.694 8.706 -42.969 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL MODEL 9 REMARK VINA RESULT: -2.8 2.332 4.625 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 30.107 4.217 -43.003 0.00 0.00 -0.266 OA ATOM 2 N UNL d 1 30.751 2.113 -43.701 0.00 0.00 -0.290 N ATOM 3 C UNL d 1 30.885 3.268 -42.942 0.00 0.00 0.265 C ATOM 4 H UNL d 1 31.544 1.485 -43.815 0.00 0.00 0.183 HD ENDROOT BRANCH 3 5 ATOM 5 C UNL d 1 32.057 3.310 -42.028 0.00 0.00 0.036 A ATOM 6 C UNL d 1 32.904 2.209 -41.898 0.00 0.00 0.036 A ATOM 7 C UNL d 1 33.957 2.308 -41.009 0.00 0.00 0.117 A ATOM 8 N UNL d 1 34.210 3.408 -40.269 0.00 0.00 -0.273 NA ATOM 9 C UNL d 1 33.362 4.452 -40.406 0.00 0.00 0.117 A ATOM 10 C UNL d 1 32.278 4.452 -41.262 0.00 0.00 0.036 A ENDBRANCH 3 5 BRANCH 2 11 ATOM 11 N UNL d 1 29.682 2.008 -44.615 0.00 0.00 -0.247 NA ATOM 12 H UNL d 1 29.572 2.916 -45.075 0.00 0.00 0.143 HD ATOM 13 H UNL d 1 29.998 1.383 -45.373 0.00 0.00 0.143 HD ENDBRANCH 2 11 TORSDOF 2 ENDMDL