REMARK Name = BDB043053 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.216 0.839 0.495 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.121 2.087 1.090 0.00 0.00 -0.200 N ATOM 3 C LIG 1 -1.388 2.655 0.882 0.00 0.00 +0.163 A ATOM 4 C LIG 1 -1.383 3.840 1.575 0.00 0.00 +0.020 A ATOM 5 C LIG 1 -0.130 3.934 2.181 0.00 0.00 +0.141 A ATOM 6 N LIG 1 -2.351 2.052 0.125 0.00 0.00 -0.213 NA ATOM 7 C LIG 1 -2.058 0.897 -0.417 0.00 0.00 +0.124 A ATOM 8 N LIG 1 0.650 2.891 1.897 0.00 0.00 -0.171 NA ATOM 9 C LIG 1 -0.724 0.234 -0.255 0.00 0.00 +0.087 A ENDROOT BRANCH 4 10 ATOM 10 C LIG 1 -2.548 4.840 1.692 0.00 0.00 +0.024 C ATOM 11 C LIG 1 -3.096 5.477 0.442 0.00 0.00 +0.009 C ATOM 12 C LIG 1 -2.305 6.301 1.414 0.00 0.00 +0.009 C ENDBRANCH 4 10 BRANCH 1 13 ATOM 13 N LIG 1 1.469 0.251 0.682 0.00 0.00 -0.323 N ATOM 14 H LIG 1 1.702 -0.502 0.035 0.00 0.00 +0.148 HD BRANCH 13 15 ATOM 15 C LIG 1 2.678 0.915 1.161 0.00 0.00 +0.160 C BRANCH 15 21 ATOM 16 C LIG 1 7.934 -0.500 2.627 0.00 0.00 +0.064 C ATOM 17 C LIG 1 7.239 -1.184 1.489 0.00 0.00 +0.023 A ATOM 18 N LIG 1 5.929 -0.809 1.149 0.00 0.00 -0.304 N ATOM 19 C LIG 1 5.205 -1.397 0.115 0.00 0.00 +0.139 A ATOM 20 N LIG 1 4.003 -0.876 0.003 0.00 0.00 -0.231 NA ATOM 21 C LIG 1 3.928 0.095 0.985 0.00 0.00 +0.077 A ATOM 22 C LIG 1 5.839 -2.427 -0.631 0.00 0.00 +0.059 A ATOM 23 C LIG 1 7.100 -2.810 -0.331 0.00 0.00 +0.060 A ATOM 24 C LIG 1 5.107 0.145 1.700 0.00 0.00 +0.117 A ATOM 25 C LIG 1 7.824 -2.165 0.769 0.00 0.00 +0.034 A BRANCH 23 26 ATOM 26 C LIG 1 7.820 -3.893 -1.086 0.00 0.00 +0.418 C ATOM 27 F LIG 1 8.191 -4.911 -0.268 0.00 0.00 -0.166 F ATOM 28 F LIG 1 7.066 -4.440 -2.073 0.00 0.00 -0.166 F ATOM 29 F LIG 1 8.953 -3.426 -1.669 0.00 0.00 -0.166 F ENDBRANCH 23 26 ENDBRANCH 15 21 ENDBRANCH 13 15 ENDBRANCH 1 13 BRANCH 7 30 ATOM 30 N LIG 1 -3.061 0.319 -1.158 0.00 0.00 -0.329 N ATOM 31 H LIG 1 -3.930 0.852 -1.068 0.00 0.00 +0.147 HD BRANCH 30 32 ATOM 32 C LIG 1 -3.248 -1.112 -1.300 0.00 0.00 +0.109 C BRANCH 32 33 ATOM 33 C LIG 1 -4.593 -1.423 -1.972 0.00 0.00 +0.037 C ATOM 34 C LIG 1 -5.778 -1.015 -1.066 0.00 0.00 +0.133 C ATOM 35 C LIG 1 -6.975 -1.981 -1.170 0.00 0.00 +0.112 C ATOM 36 N LIG 1 -7.158 -2.405 -2.559 0.00 0.00 -0.314 NA ATOM 37 H LIG 1 -8.022 -2.940 -2.654 0.00 0.00 +0.122 HD ATOM 38 C LIG 1 -6.029 -3.210 -3.037 0.00 0.00 +0.081 C ATOM 39 C LIG 1 -4.698 -2.909 -2.334 0.00 0.00 +0.023 C BRANCH 34 40 ATOM 40 O LIG 1 -6.192 0.301 -1.453 0.00 0.00 -0.390 OA ATOM 41 H LIG 1 -6.686 0.183 -2.289 0.00 0.00 +0.210 HD ENDBRANCH 34 40 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 7 30 TORSDOF 9