REMARK Name = BDB009470 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.416 0.438 -0.178 0.00 0.00 +0.072 A ATOM 2 C LIG 1 0.126 1.438 -1.098 0.00 0.00 +0.135 A ATOM 3 F LIG 1 -0.846 1.279 -2.007 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.837 2.633 -1.079 0.00 0.00 +0.039 A ATOM 5 C LIG 1 1.859 2.818 -0.144 0.00 0.00 +0.007 A ATOM 6 C LIG 1 2.190 1.801 0.768 0.00 0.00 -0.041 A ATOM 7 C LIG 1 1.450 0.608 0.751 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 O LIG 1 -6.495 -2.166 0.853 0.00 0.00 -0.268 OA ATOM 9 C LIG 1 -6.099 -1.464 -0.081 0.00 0.00 +0.267 C ATOM 10 N LIG 1 -4.720 -1.291 -0.303 0.00 0.00 -0.295 N ATOM 11 C LIG 1 -3.834 -2.170 0.469 0.00 0.00 +0.127 C ATOM 12 C LIG 1 -2.345 -2.151 0.089 0.00 0.00 +0.127 C ATOM 13 N LIG 1 -1.644 -0.867 0.226 0.00 0.00 -0.296 N ATOM 14 C LIG 1 -0.319 -0.832 -0.208 0.00 0.00 +0.249 C ATOM 15 O LIG 1 0.290 -1.824 -0.603 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -2.356 0.251 0.843 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -3.434 0.849 -0.057 0.00 0.00 +0.038 C ATOM 18 C LIG 1 -4.135 -0.138 -0.993 0.00 0.00 +0.110 C BRANCH 9 19 ATOM 19 C LIG 1 -7.086 -0.822 -0.976 0.00 0.00 +0.147 A ATOM 20 N LIG 1 -6.861 -0.513 -2.269 0.00 0.00 -0.169 NA ATOM 21 N LIG 1 -8.030 -0.025 -2.710 0.00 0.00 -0.284 N ATOM 22 H LIG 1 -8.091 0.273 -3.679 0.00 0.00 +0.188 HD ATOM 23 C LIG 1 -9.008 -0.009 -1.765 0.00 0.00 +0.105 A ATOM 24 C LIG 1 -8.439 -0.535 -0.632 0.00 0.00 +0.054 A ENDBRANCH 9 19 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 3.292 2.024 1.781 0.00 0.00 +0.094 C BRANCH 25 26 ATOM 26 C LIG 1 4.216 0.829 1.978 0.00 0.00 +0.087 A ATOM 27 C LIG 1 5.169 0.447 0.877 0.00 0.00 +0.059 A ATOM 28 N LIG 1 5.248 1.159 -0.311 0.00 0.00 -0.342 N ATOM 29 H LIG 1 4.858 2.095 -0.308 0.00 0.00 +0.146 HD ATOM 30 C LIG 1 6.333 0.932 -1.254 0.00 0.00 +0.102 C ATOM 31 C LIG 1 6.640 -0.562 -1.322 0.00 0.00 +0.023 C ATOM 32 C LIG 1 6.907 -1.139 0.075 0.00 0.00 +0.044 C ATOM 33 C LIG 1 5.936 -0.632 1.105 0.00 0.00 +0.041 A ATOM 34 C LIG 1 5.847 -1.359 2.390 0.00 0.00 +0.270 A ATOM 35 O LIG 1 6.558 -2.328 2.635 0.00 0.00 -0.266 OA ATOM 36 N LIG 1 4.934 -0.878 3.291 0.00 0.00 -0.243 N ATOM 37 H LIG 1 4.854 -1.369 4.175 0.00 0.00 +0.192 HD ATOM 38 N LIG 1 4.118 0.196 3.110 0.00 0.00 -0.174 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 4