REMARK Name = BDB029314 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.506 1.770 -0.129 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.284 0.958 -0.948 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.013 0.162 -1.819 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.683 1.226 -0.595 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.827 0.639 -1.103 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.064 1.042 -0.581 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -4.099 2.046 0.418 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.923 2.637 0.922 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.712 2.199 0.394 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.317 2.618 0.724 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.125 0.897 -0.804 0.00 0.00 -0.039 A ATOM 12 C LIG 1 2.709 0.892 -0.818 0.00 0.00 +0.027 A ATOM 13 C LIG 1 1.927 1.806 -0.093 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.596 2.758 0.686 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.989 2.799 0.726 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.737 1.882 -0.009 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 4.994 -0.185 -1.638 0.00 0.00 +0.005 C ATOM 18 C LIG 1 6.215 0.420 -2.419 0.00 0.00 +0.030 C ATOM 19 C LIG 1 5.819 -0.378 -3.678 0.00 0.00 +0.093 C ATOM 20 C LIG 1 4.439 -0.622 -3.042 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 6.626 -1.550 -3.949 0.00 0.00 +0.066 C ATOM 22 N LIG 1 7.305 -2.467 -4.157 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 5.420 -1.343 -0.702 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 4.115 -1.345 2.153 0.00 0.00 +0.151 C ATOM 25 N LIG 1 3.723 -2.145 1.026 0.00 0.00 -0.320 N ATOM 26 C LIG 1 4.277 -2.175 -0.228 0.00 0.00 +0.134 A ATOM 27 N LIG 1 3.636 -3.080 -0.942 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 2.649 -3.629 -0.162 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 2.710 -3.055 1.015 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 -2.964 3.695 1.991 0.00 0.00 +0.418 C ATOM 31 F LIG 1 -4.218 4.012 2.409 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.397 4.862 1.577 0.00 0.00 -0.166 F ATOM 33 F LIG 1 -2.274 3.327 3.106 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 -5.346 0.405 -1.080 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 -5.845 -0.750 -0.325 0.00 0.00 -0.296 NA ATOM 36 C LIG 1 -4.974 -1.929 -0.356 0.00 0.00 +0.112 C ATOM 37 C LIG 1 -4.053 -2.187 0.858 0.00 0.00 +0.175 C ATOM 38 O LIG 1 -4.670 -2.163 2.152 0.00 0.00 -0.378 OA ATOM 39 C LIG 1 -5.999 -2.665 2.173 0.00 0.00 +0.161 C ATOM 40 C LIG 1 -7.008 -1.602 1.740 0.00 0.00 +0.043 C ATOM 41 C LIG 1 -6.409 -0.413 0.980 0.00 0.00 +0.087 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8