REMARK Name = BDB065266 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.132 -0.042 -0.736 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.169 -0.110 -0.267 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.438 -1.471 -0.183 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.693 -1.914 0.260 0.00 0.00 +0.040 A ATOM 5 C LIG 1 3.662 -0.969 0.625 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.373 0.397 0.524 0.00 0.00 +0.012 A ATOM 7 N LIG 1 0.355 -2.209 -0.570 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.125 0.854 0.080 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.594 -1.346 -0.884 0.00 0.00 +0.132 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 4.971 -1.416 1.087 0.00 0.00 +0.069 A ATOM 11 N LIG 1 5.493 -1.184 2.338 0.00 0.00 -0.267 N ATOM 12 C LIG 1 4.858 -0.512 3.448 0.00 0.00 +0.173 C ATOM 13 N LIG 1 6.737 -1.677 2.504 0.00 0.00 -0.176 NA ATOM 14 C LIG 1 7.003 -2.289 1.345 0.00 0.00 +0.061 A ATOM 15 C LIG 1 8.298 -2.981 1.146 0.00 0.00 +0.067 C ATOM 16 C LIG 1 5.933 -2.163 0.434 0.00 0.00 +0.052 A ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 -1.966 -1.794 -1.324 0.00 0.00 +0.151 C ATOM 18 N LIG 1 -3.078 -1.149 -0.644 0.00 0.00 -0.258 N ATOM 19 C LIG 1 -4.113 -0.878 -1.567 0.00 0.00 +0.255 C ATOM 20 O LIG 1 -5.204 -0.368 -1.354 0.00 0.00 -0.272 OA ATOM 21 C LIG 1 -3.688 -1.431 -2.914 0.00 0.00 +0.254 C ATOM 22 F LIG 1 -4.016 -0.642 -3.970 0.00 0.00 -0.236 F ATOM 23 C LIG 1 -2.186 -1.530 -2.805 0.00 0.00 +0.077 C BRANCH 18 24 ATOM 24 C LIG 1 -3.222 -1.069 0.774 0.00 0.00 +0.040 A ATOM 25 C LIG 1 -2.388 -1.800 1.635 0.00 0.00 +0.064 A ATOM 26 C LIG 1 -2.530 -1.700 3.020 0.00 0.00 +0.160 A ATOM 27 F LIG 1 -1.720 -2.413 3.814 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -3.498 -0.878 3.574 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -3.629 -0.782 4.904 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -4.339 -0.148 2.749 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -4.200 -0.245 1.359 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 -2.195 3.600 -1.500 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -0.799 3.485 -2.122 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -0.285 2.036 -2.142 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -0.878 1.183 -1.003 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -1.141 2.030 0.248 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -2.162 3.146 -0.029 0.00 0.00 +0.033 C BRANCH 32 39 ATOM 38 C LIG 1 -4.435 3.106 -2.183 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -3.058 2.757 -2.273 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 1 35 TORSDOF 5