REMARK Name = BDB043255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.357 -0.616 0.214 0.00 0.00 +0.165 C ENDROOT BRANCH 1 4 ATOM 2 N LIG 1 1.960 -0.225 -0.490 0.00 0.00 -0.308 N ATOM 3 H LIG 1 2.068 -1.227 -0.357 0.00 0.00 +0.149 HD ATOM 4 C LIG 1 0.673 0.271 -0.504 0.00 0.00 +0.234 C ATOM 5 O LIG 1 0.372 1.336 -1.041 0.00 0.00 -0.274 OA BRANCH 2 6 ATOM 6 C LIG 1 3.042 0.442 -1.223 0.00 0.00 +0.113 C BRANCH 6 7 ATOM 7 C LIG 1 2.941 0.117 -2.732 0.00 0.00 +0.243 C BRANCH 7 8 ATOM 8 C LIG 1 3.965 0.892 -3.564 0.00 0.00 +0.338 C ATOM 9 O LIG 1 4.669 0.360 -4.416 0.00 0.00 -0.248 OA BRANCH 8 11 ATOM 10 C LIG 1 4.874 2.995 -4.043 0.00 0.00 +0.280 C ATOM 11 O LIG 1 3.951 2.220 -3.277 0.00 0.00 -0.466 OA ENDBRANCH 8 11 ENDBRANCH 7 8 BRANCH 7 12 ATOM 12 O LIG 1 3.090 -1.301 -2.920 0.00 0.00 -0.379 OA ATOM 13 H LIG 1 3.435 -1.421 -3.828 0.00 0.00 +0.211 HD ENDBRANCH 7 12 ENDBRANCH 6 7 BRANCH 6 14 ATOM 14 C LIG 1 4.403 0.021 -0.624 0.00 0.00 +0.029 C BRANCH 14 15 ATOM 15 C LIG 1 4.584 0.354 0.879 0.00 0.00 -0.009 C ATOM 16 C LIG 1 5.924 -0.201 1.401 0.00 0.00 +0.003 C ATOM 17 C LIG 1 7.135 0.584 0.898 0.00 0.00 +0.000 C ATOM 18 C LIG 1 7.005 2.077 1.184 0.00 0.00 +0.000 C ATOM 19 C LIG 1 5.686 2.647 0.671 0.00 0.00 +0.000 C ATOM 20 C LIG 1 4.492 1.856 1.201 0.00 0.00 +0.003 C ENDBRANCH 14 15 ENDBRANCH 6 14 ENDBRANCH 2 6 ENDBRANCH 1 4 BRANCH 1 21 ATOM 21 N LIG 1 -1.693 -0.077 -0.038 0.00 0.00 -0.302 N ATOM 22 H LIG 1 -1.737 0.891 -0.352 0.00 0.00 +0.150 HD ATOM 23 C LIG 1 -2.839 -0.799 0.205 0.00 0.00 +0.235 C ATOM 24 O LIG 1 -2.788 -1.963 0.606 0.00 0.00 -0.274 OA BRANCH 23 25 ATOM 25 C LIG 1 -4.163 -0.048 -0.079 0.00 0.00 +0.167 C BRANCH 25 26 ATOM 26 N LIG 1 -5.262 -1.016 -0.200 0.00 0.00 -0.281 N ATOM 27 C LIG 1 -5.921 -1.590 0.879 0.00 0.00 +0.248 C ATOM 28 O LIG 1 -5.875 -1.277 2.053 0.00 0.00 -0.270 OA ATOM 29 C LIG 1 -6.723 -2.697 0.346 0.00 0.00 +0.042 A ATOM 30 C LIG 1 -6.457 -2.809 -1.017 0.00 0.00 -0.018 A ATOM 31 C LIG 1 -7.081 -3.787 -1.771 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -7.978 -4.645 -1.125 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -8.235 -4.521 0.254 0.00 0.00 +0.001 A ATOM 34 C LIG 1 -7.599 -3.535 1.008 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -5.453 -1.784 -1.422 0.00 0.00 +0.144 C ENDBRANCH 25 26 BRANCH 25 36 ATOM 36 C LIG 1 -4.439 1.046 0.974 0.00 0.00 +0.067 C BRANCH 36 37 ATOM 37 C LIG 1 -3.614 2.301 0.788 0.00 0.00 -0.045 A ATOM 38 C LIG 1 -3.825 3.138 -0.316 0.00 0.00 +0.004 A ATOM 39 C LIG 1 -3.036 4.273 -0.502 0.00 0.00 +0.000 A ATOM 40 C LIG 1 -2.034 4.585 0.415 0.00 0.00 +0.000 A ATOM 41 C LIG 1 -1.827 3.769 1.525 0.00 0.00 +0.000 A ATOM 42 C LIG 1 -2.616 2.635 1.714 0.00 0.00 +0.004 A ENDBRANCH 36 37 ENDBRANCH 25 36 ENDBRANCH 23 25 ENDBRANCH 1 21 BRANCH 1 43 ATOM 43 C LIG 1 -0.044 -0.688 1.724 0.00 0.00 +0.086 C BRANCH 43 44 ATOM 44 C LIG 1 0.212 -2.087 2.174 0.00 0.00 +0.038 A ATOM 45 N LIG 1 -0.762 -3.058 2.161 0.00 0.00 -0.348 N ATOM 46 H LIG 1 -1.717 -2.942 1.828 0.00 0.00 +0.166 HD ATOM 47 C LIG 1 -0.193 -4.214 2.611 0.00 0.00 +0.196 A ATOM 48 N LIG 1 1.072 -4.039 2.922 0.00 0.00 -0.244 NA ATOM 49 C LIG 1 1.332 -2.719 2.665 0.00 0.00 +0.133 A ENDBRANCH 43 44 ENDBRANCH 1 43 TORSDOF 15