REMARK Name = BDB056343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.250 0.990 -0.326 0.00 0.00 +0.180 C ATOM 2 C LIG 1 -1.734 2.203 0.418 0.00 0.00 +0.108 C ATOM 3 C LIG 1 -2.820 2.962 1.195 0.00 0.00 +0.031 C ATOM 4 N LIG 1 -1.032 3.063 -0.548 0.00 0.00 -0.265 N ATOM 5 C LIG 1 -1.714 3.786 -1.529 0.00 0.00 +0.217 C ATOM 6 O LIG 1 -2.943 3.869 -1.559 0.00 0.00 -0.276 OA ATOM 7 C LIG 1 -0.906 4.459 -2.616 0.00 0.00 +0.109 C ATOM 8 C LIG 1 0.358 2.851 -0.568 0.00 0.00 +0.059 A ATOM 9 C LIG 1 0.925 1.563 -0.717 0.00 0.00 +0.058 A ATOM 10 C LIG 1 2.332 1.525 -0.604 0.00 0.00 +0.026 A ATOM 11 C LIG 1 3.125 2.662 -0.373 0.00 0.00 +0.021 A ATOM 12 C LIG 1 2.534 3.906 -0.238 0.00 0.00 +0.054 A ATOM 13 N LIG 1 0.187 0.341 -1.059 0.00 0.00 -0.264 N ATOM 14 C LIG 1 1.151 3.997 -0.328 0.00 0.00 +0.044 A ATOM 15 C LIG 1 -1.207 0.150 -1.090 0.00 0.00 +0.242 C ATOM 16 O LIG 1 -1.695 -0.805 -1.728 0.00 0.00 -0.273 OA ENDROOT BRANCH 1 18 ATOM 17 C LIG 1 -2.791 -0.434 1.672 0.00 0.00 +0.230 C ATOM 18 N LIG 1 -3.119 0.071 0.431 0.00 0.00 -0.301 N ATOM 19 H LIG 1 -3.696 -0.526 -0.150 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 -1.804 -0.056 2.297 0.00 0.00 -0.274 OA BRANCH 17 21 ATOM 21 C LIG 1 -3.786 -1.494 2.197 0.00 0.00 +0.137 C ATOM 22 C LIG 1 -3.965 -1.306 3.704 0.00 0.00 +0.034 C BRANCH 21 24 ATOM 23 C LIG 1 -3.299 -3.243 0.546 0.00 0.00 +0.101 C ATOM 24 N LIG 1 -3.293 -2.865 1.951 0.00 0.00 -0.309 NA ATOM 25 H LIG 1 -3.870 -3.524 2.472 0.00 0.00 +0.122 HD ENDBRANCH 21 24 ENDBRANCH 17 21 ENDBRANCH 1 18 BRANCH 12 26 ATOM 26 C LIG 1 3.329 5.072 0.006 0.00 0.00 +0.099 C ATOM 27 N LIG 1 3.971 6.020 0.196 0.00 0.00 -0.191 NA ENDBRANCH 12 26 BRANCH 13 28 ATOM 28 C LIG 1 0.942 -0.719 -1.804 0.00 0.00 +0.153 C BRANCH 28 29 ATOM 29 C LIG 1 2.000 -1.569 -1.090 0.00 0.00 +0.020 A ATOM 30 C LIG 1 1.796 -2.184 0.186 0.00 0.00 -0.010 A ATOM 31 C LIG 1 2.855 -2.936 0.763 0.00 0.00 -0.017 A ATOM 32 C LIG 1 2.710 -3.533 2.027 0.00 0.00 +0.008 A ATOM 33 C LIG 1 1.523 -3.420 2.741 0.00 0.00 +0.001 A ATOM 34 C LIG 1 0.466 -2.716 2.190 0.00 0.00 +0.001 A ATOM 35 C LIG 1 4.058 -3.100 0.073 0.00 0.00 +0.012 A ATOM 36 C LIG 1 4.237 -2.553 -1.192 0.00 0.00 +0.046 A ATOM 37 C LIG 1 0.602 -2.117 0.933 0.00 0.00 +0.009 A ATOM 38 C LIG 1 3.220 -1.806 -1.784 0.00 0.00 +0.125 A BRANCH 38 39 ATOM 39 O LIG 1 3.335 -1.235 -3.028 0.00 0.00 -0.495 OA ATOM 40 C LIG 1 4.456 -1.597 -3.826 0.00 0.00 +0.277 C ENDBRANCH 38 39 ENDBRANCH 28 29 ENDBRANCH 13 28 TORSDOF 7