REMARK Name = BDB026073 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.710 1.072 0.177 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.207 -0.247 0.069 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.169 -0.491 0.103 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.083 0.566 0.256 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.568 1.866 0.362 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.390 2.916 0.513 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.802 2.122 0.325 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.751 4.467 0.645 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.597 3.206 0.870 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.504 3.046 -0.292 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.877 2.781 0.149 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.050 2.014 -1.263 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.465 2.440 -2.676 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.521 1.755 -1.242 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.108 1.271 0.093 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.723 1.975 1.242 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.542 0.305 0.259 0.00 0.00 -0.038 C ATOM 18 C LIG 1 3.438 1.254 -0.499 0.00 0.00 +0.054 C ATOM 19 C LIG 1 4.771 0.599 -0.860 0.00 0.00 +0.116 C ATOM 20 N LIG 1 5.359 -0.077 0.289 0.00 0.00 -0.263 N ATOM 21 C LIG 1 6.735 -0.064 0.432 0.00 0.00 +0.404 C ATOM 22 O LIG 1 7.493 0.612 -0.254 0.00 0.00 -0.226 OA ATOM 23 C LIG 1 4.542 -1.070 0.972 0.00 0.00 +0.138 C ATOM 24 C LIG 1 3.077 -0.744 0.916 0.00 0.00 -0.004 C BRANCH 21 25 ATOM 25 O LIG 1 7.165 -0.895 1.424 0.00 0.00 -0.439 OA BRANCH 25 26 ATOM 26 C LIG 1 8.597 -0.914 1.662 0.00 0.00 +0.158 C ATOM 27 C LIG 1 9.118 -2.231 2.277 0.00 0.00 +0.210 C ATOM 28 O LIG 1 10.156 -2.344 1.274 0.00 0.00 -0.372 OA ATOM 29 C LIG 1 9.523 -1.303 0.487 0.00 0.00 +0.210 C ATOM 30 C LIG 1 9.028 0.308 2.468 0.00 0.00 +0.061 C ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -2.185 -1.253 -0.067 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -3.127 -0.867 -0.066 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -2.007 -2.606 -0.197 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.961 -3.235 -0.217 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -3.306 -3.320 -0.333 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -3.872 -3.677 -1.629 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -5.063 -4.306 -1.674 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -5.794 -4.630 -0.421 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -6.885 -5.184 -0.449 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -5.172 -4.262 0.748 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -5.665 -4.498 1.603 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -3.957 -3.624 0.802 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -3.104 -3.321 -2.867 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -2.891 -1.981 -2.955 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -1.897 -3.933 -2.928 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.770 -3.670 -4.002 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7