REMARK Name = BDB040288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 4.243 -0.393 -0.248 0.00 0.00 -0.032 A ATOM 2 C LIG 1 4.613 -0.175 1.101 0.00 0.00 +0.017 A ATOM 3 C LIG 1 3.678 0.231 2.078 0.00 0.00 +0.061 A ATOM 4 C LIG 1 2.364 0.422 1.663 0.00 0.00 -0.006 A ATOM 5 C LIG 1 1.167 0.858 2.442 0.00 0.00 +0.150 C ATOM 6 N LIG 1 0.103 0.891 1.446 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.570 0.486 0.190 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.001 0.346 -0.876 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 2.003 0.206 0.340 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.907 -0.196 -0.627 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.216 1.316 1.764 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.209 1.444 0.780 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.526 1.894 1.050 0.00 0.00 -0.036 A ATOM 14 C LIG 1 -3.819 2.179 2.392 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.856 2.060 3.393 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.564 1.637 3.078 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -4.648 2.038 -0.141 0.00 0.00 +0.045 C ATOM 18 C LIG 1 -4.126 2.662 -1.493 0.00 0.00 +0.090 C ATOM 19 C LIG 1 -4.550 4.051 -0.964 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -5.093 4.885 -1.879 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -3.580 4.754 -0.334 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -5.553 3.330 -0.038 0.00 0.00 +0.090 C BRANCH 17 23 ATOM 23 C LIG 1 -5.378 0.680 -0.257 0.00 0.00 +0.244 C ATOM 24 F LIG 1 -4.419 -0.284 -0.419 0.00 0.00 -0.236 F BRANCH 23 25 ATOM 25 C LIG 1 -6.401 0.563 -1.337 0.00 0.00 +0.168 A ATOM 26 N LIG 1 -6.353 -0.311 -2.396 0.00 0.00 -0.318 N ATOM 27 C LIG 1 -5.316 -1.253 -2.725 0.00 0.00 +0.151 C ATOM 28 C LIG 1 -7.484 -0.099 -3.121 0.00 0.00 +0.224 A ATOM 29 N LIG 1 -8.198 0.841 -2.548 0.00 0.00 -0.138 NA ATOM 30 N LIG 1 -7.527 1.244 -1.420 0.00 0.00 -0.132 NA ENDBRANCH 23 25 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 31 ATOM 31 C LIG 1 4.078 0.445 3.515 0.00 0.00 +0.418 C ATOM 32 F LIG 1 3.772 1.695 3.958 0.00 0.00 -0.166 F ATOM 33 F LIG 1 3.438 -0.412 4.360 0.00 0.00 -0.166 F ATOM 34 F LIG 1 5.409 0.281 3.746 0.00 0.00 -0.166 F ENDBRANCH 3 31 BRANCH 1 35 ATOM 35 C LIG 1 5.278 -0.805 -1.277 0.00 0.00 +0.119 C BRANCH 35 36 ATOM 36 N LIG 1 5.440 -2.249 -1.520 0.00 0.00 -0.299 NA ATOM 37 C LIG 1 4.234 -2.834 -2.104 0.00 0.00 +0.105 C BRANCH 36 39 ATOM 38 C LIG 1 6.107 -4.530 -0.696 0.00 0.00 +0.024 C ATOM 39 C LIG 1 5.994 -3.024 -0.390 0.00 0.00 +0.051 C ATOM 40 C LIG 1 7.399 -2.535 -0.012 0.00 0.00 +0.024 C ENDBRANCH 36 39 ENDBRANCH 35 36 ENDBRANCH 1 35 TORSDOF 8