REMARK Name = LIG001925 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.365 1.030 0.964 0.00 0.00 +0.036 A ATOM 2 C LIG 1 2.170 1.258 -0.153 0.00 0.00 +0.027 A ATOM 3 C LIG 1 1.623 1.565 -1.418 0.00 0.00 -0.038 A ATOM 4 C LIG 1 0.225 1.676 -1.513 0.00 0.00 +0.027 A ATOM 5 C LIG 1 -0.601 1.484 -0.402 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -0.021 1.162 0.830 0.00 0.00 +0.046 A ENDROOT BRANCH 1 8 ATOM 7 C LIG 1 3.105 0.409 2.726 0.00 0.00 +0.270 C ATOM 8 N LIG 1 1.855 0.750 2.255 0.00 0.00 -0.280 N ATOM 9 H LIG 1 1.216 0.915 3.022 0.00 0.00 +0.155 HD ATOM 10 O LIG 1 3.337 0.610 3.921 0.00 0.00 -0.268 OA BRANCH 7 14 ATOM 11 N LIG 1 5.923 -0.948 0.890 0.00 0.00 -0.213 N ATOM 12 C LIG 1 5.470 -0.156 1.943 0.00 0.00 +0.074 A ATOM 13 C LIG 1 6.326 0.530 2.942 0.00 0.00 +0.068 C ATOM 14 C LIG 1 4.085 -0.230 1.858 0.00 0.00 +0.170 A ATOM 15 N LIG 1 3.747 -1.109 0.867 0.00 0.00 -0.124 NA ATOM 16 N LIG 1 4.858 -1.554 0.306 0.00 0.00 -0.060 NA BRANCH 11 19 ATOM 17 C LIG 1 9.400 -0.080 -0.148 0.00 0.00 +0.122 A ATOM 18 C LIG 1 8.120 0.000 0.407 0.00 0.00 +0.077 A ATOM 19 C LIG 1 7.233 -1.089 0.350 0.00 0.00 +0.112 A ATOM 20 C LIG 1 7.636 -2.278 -0.288 0.00 0.00 +0.146 A ATOM 21 C LIG 1 8.923 -2.347 -0.839 0.00 0.00 +0.051 A ATOM 22 C LIG 1 9.797 -1.257 -0.771 0.00 0.00 +0.049 A BRANCH 17 24 ATOM 23 C LIG 1 11.453 1.034 -0.585 0.00 0.00 +0.277 C ATOM 24 O LIG 1 10.151 1.054 -0.014 0.00 0.00 -0.495 OA ENDBRANCH 17 24 BRANCH 20 25 ATOM 25 O LIG 1 6.784 -3.348 -0.258 0.00 0.00 -0.493 OA ATOM 26 C LIG 1 7.036 -4.427 -1.149 0.00 0.00 +0.277 C ENDBRANCH 20 25 ENDBRANCH 11 19 ENDBRANCH 7 14 ENDBRANCH 1 8 BRANCH 3 27 ATOM 27 C LIG 1 2.556 1.784 -2.625 0.00 0.00 -0.013 C ATOM 28 C LIG 1 3.416 3.043 -2.382 0.00 0.00 +0.015 C ATOM 29 C LIG 1 3.486 0.563 -2.809 0.00 0.00 +0.015 C ATOM 30 C LIG 1 1.810 1.985 -3.965 0.00 0.00 +0.015 C ENDBRANCH 3 27 BRANCH 5 31 ATOM 31 N LIG 1 -2.003 1.605 -0.439 0.00 0.00 -0.284 N ATOM 32 H LIG 1 -2.522 1.425 0.419 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.813 1.936 -1.511 0.00 0.00 +0.234 C ATOM 34 O LIG 1 -2.458 2.178 -2.660 0.00 0.00 -0.274 OA BRANCH 33 35 ATOM 35 C LIG 1 -4.290 2.050 -1.102 0.00 0.00 +0.198 C BRANCH 35 36 ATOM 36 N LIG 1 -4.559 1.277 0.141 0.00 0.00 -0.335 N ATOM 37 H LIG 1 -4.547 0.273 -0.102 0.00 0.00 +0.147 HD BRANCH 36 38 ATOM 38 C LIG 1 -5.801 1.588 0.728 0.00 0.00 +0.040 A ATOM 39 C LIG 1 -6.806 0.645 0.892 0.00 0.00 +0.070 A ATOM 40 C LIG 1 -6.860 -0.762 0.495 0.00 0.00 +0.256 C ATOM 41 N LIG 1 -8.088 -1.238 0.866 0.00 0.00 -0.222 N ATOM 42 C LIG 1 -8.851 -0.252 1.428 0.00 0.00 +0.255 C ATOM 43 O LIG 1 -10.009 -0.295 1.791 0.00 0.00 -0.270 OA ATOM 44 O LIG 1 -5.944 -1.338 -0.061 0.00 0.00 -0.269 OA ATOM 45 C LIG 1 -8.027 0.953 1.467 0.00 0.00 +0.051 A ATOM 46 C LIG 1 -8.326 2.219 1.925 0.00 0.00 +0.014 A ATOM 47 C LIG 1 -7.330 3.189 1.798 0.00 0.00 +0.003 A ATOM 48 C LIG 1 -6.085 2.875 1.213 0.00 0.00 +0.024 A BRANCH 41 49 ATOM 49 C LIG 1 -8.557 -2.579 0.537 0.00 0.00 +0.171 C ATOM 50 C LIG 1 -9.688 -2.461 -0.485 0.00 0.00 +0.240 C ATOM 51 O LIG 1 -9.567 -1.834 -1.536 0.00 0.00 -0.273 OA ATOM 52 N LIG 1 -10.887 -3.039 -0.155 0.00 0.00 -0.255 N ATOM 53 H LIG 1 -11.623 -2.926 -0.841 0.00 0.00 +0.158 HD ATOM 54 C LIG 1 -11.336 -3.346 1.104 0.00 0.00 +0.219 C ATOM 55 O LIG 1 -12.526 -3.579 1.304 0.00 0.00 -0.275 OA ATOM 56 C LIG 1 -10.326 -3.322 2.226 0.00 0.00 +0.098 C ATOM 57 C LIG 1 -8.898 -3.469 1.730 0.00 0.00 +0.041 C ENDBRANCH 41 49 ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 33 35 ENDBRANCH 5 31 TORSDOF 11