REMARK Name = BDB024436 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.841 -0.925 0.432 0.00 0.00 +0.240 C ATOM 2 N LIG 1 0.099 -0.338 -0.388 0.00 0.00 -0.269 N ATOM 3 H LIG 1 -0.204 0.121 -1.238 0.00 0.00 +0.156 HD ATOM 4 O LIG 1 -0.596 -1.597 1.434 0.00 0.00 -0.273 OA ENDROOT BRANCH 2 5 ATOM 5 C LIG 1 1.486 -0.348 -0.265 0.00 0.00 +0.125 A ATOM 6 N LIG 1 2.113 0.291 -1.274 0.00 0.00 -0.240 NA ATOM 7 C LIG 1 3.469 0.333 -1.242 0.00 0.00 +0.121 A ATOM 8 C LIG 1 4.255 -0.230 -0.242 0.00 0.00 +0.003 A ATOM 9 C LIG 1 3.575 -0.876 0.790 0.00 0.00 +0.013 A ATOM 10 C LIG 1 2.178 -0.938 0.782 0.00 0.00 +0.044 A BRANCH 8 11 ATOM 11 C LIG 1 5.702 -0.134 -0.278 0.00 0.00 +0.021 A ATOM 12 C LIG 1 6.576 -1.000 0.348 0.00 0.00 +0.117 A ATOM 13 N LIG 1 7.837 -0.562 0.054 0.00 0.00 -0.262 N ATOM 14 N LIG 1 7.849 0.539 -0.728 0.00 0.00 -0.179 NA ATOM 15 C LIG 1 6.553 0.791 -0.930 0.00 0.00 +0.143 A BRANCH 13 16 ATOM 16 C LIG 1 9.088 -1.161 0.472 0.00 0.00 +0.238 C BRANCH 16 17 ATOM 17 C LIG 1 9.744 -0.347 1.561 0.00 0.00 +0.232 C ATOM 18 O LIG 1 9.932 -0.772 2.697 0.00 0.00 -0.274 OA ATOM 19 N LIG 1 10.172 0.901 1.199 0.00 0.00 -0.328 N ATOM 20 H LIG 1 9.702 1.359 0.420 0.00 0.00 +0.145 HD ATOM 21 H LIG 1 10.495 1.498 1.950 0.00 0.00 +0.145 HD ENDBRANCH 16 17 ENDBRANCH 13 16 ENDBRANCH 8 11 ENDBRANCH 2 5 BRANCH 1 22 ATOM 22 C LIG 1 -2.299 -0.655 -0.043 0.00 0.00 +0.171 C BRANCH 22 23 ATOM 23 C LIG 1 -2.698 -1.554 -1.206 0.00 0.00 -0.022 A ATOM 24 C LIG 1 -2.293 -2.897 -1.287 0.00 0.00 +0.005 A ATOM 25 C LIG 1 -2.688 -3.694 -2.364 0.00 0.00 +0.000 A ATOM 26 C LIG 1 -3.504 -3.168 -3.363 0.00 0.00 +0.000 A ATOM 27 C LIG 1 -3.935 -1.846 -3.283 0.00 0.00 +0.000 A ATOM 28 C LIG 1 -3.541 -1.046 -2.210 0.00 0.00 +0.005 A ENDBRANCH 22 23 BRANCH 22 29 ATOM 29 N LIG 1 -3.265 -0.827 1.061 0.00 0.00 -0.301 NA ATOM 30 H LIG 1 -3.072 -1.738 1.485 0.00 0.00 +0.123 HD BRANCH 29 31 ATOM 31 C LIG 1 -3.198 0.198 2.109 0.00 0.00 +0.089 C BRANCH 31 33 ATOM 32 C LIG 1 -3.523 2.569 2.909 0.00 0.00 +0.014 C ATOM 33 C LIG 1 -3.442 1.668 1.670 0.00 0.00 +0.030 C BRANCH 33 34 ATOM 34 C LIG 1 -4.662 1.906 0.789 0.00 0.00 -0.043 A ATOM 35 C LIG 1 -5.865 1.211 0.974 0.00 0.00 +0.005 A ATOM 36 C LIG 1 -6.965 1.454 0.146 0.00 0.00 +0.019 A ATOM 37 C LIG 1 -6.881 2.406 -0.873 0.00 0.00 +0.052 A ATOM 38 C LIG 1 -5.693 3.116 -1.058 0.00 0.00 +0.019 A ATOM 39 C LIG 1 -4.593 2.869 -0.231 0.00 0.00 +0.005 A BRANCH 37 40 ATOM 40 C LIG 1 -8.008 2.654 -1.723 0.00 0.00 +0.099 C ATOM 41 N LIG 1 -8.916 2.858 -2.416 0.00 0.00 -0.191 NA ENDBRANCH 37 40 ENDBRANCH 33 34 ENDBRANCH 31 33 ENDBRANCH 29 31 ENDBRANCH 22 29 ENDBRANCH 1 22 TORSDOF 11