REMARK Name = BDB035693 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.687 1.157 0.225 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.417 1.863 -0.266 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.494 2.912 -0.878 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.613 1.089 0.090 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.939 1.378 -0.179 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.911 0.472 0.267 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.510 -0.695 0.962 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.156 -0.973 1.229 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.216 -0.053 0.775 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.274 -0.070 0.894 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.445 1.058 0.530 0.00 0.00 -0.016 A ATOM 12 C LIG 1 3.072 0.727 0.642 0.00 0.00 +0.029 A ATOM 13 C LIG 1 2.053 1.538 0.110 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.438 2.719 -0.529 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.784 3.081 -0.629 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.780 2.262 -0.101 0.00 0.00 +0.006 A BRANCH 11 17 ATOM 17 C LIG 1 5.487 0.109 1.130 0.00 0.00 +0.186 C BRANCH 17 20 ATOM 18 C LIG 1 7.733 0.100 -1.179 0.00 0.00 +0.151 C ATOM 19 N LIG 1 7.849 0.582 0.172 0.00 0.00 -0.319 N ATOM 20 C LIG 1 6.906 0.613 1.175 0.00 0.00 +0.161 A ATOM 21 N LIG 1 7.461 1.171 2.237 0.00 0.00 -0.132 NA ATOM 22 N LIG 1 8.757 1.498 1.937 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 8.979 1.135 0.698 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 N LIG 1 5.429 -1.253 0.576 0.00 0.00 -0.322 N ATOM 25 C LIG 1 4.963 -1.645 -0.650 0.00 0.00 +0.200 A ATOM 26 N LIG 1 5.090 -2.941 -0.823 0.00 0.00 -0.244 NA ATOM 27 C LIG 1 5.629 -3.416 0.342 0.00 0.00 +0.130 A ATOM 28 C LIG 1 5.846 -2.388 1.229 0.00 0.00 +0.108 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.733 -2.221 1.956 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -2.767 -2.949 2.454 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.921 -1.946 3.015 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.023 -3.064 1.158 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.378 0.722 -0.007 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -5.879 -0.247 -0.981 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -5.369 -0.124 -1.856 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.340 -0.187 -1.134 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -8.025 -0.839 0.100 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -8.879 -1.663 -0.886 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -7.758 -1.461 -1.928 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -7.879 1.125 -1.674 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8