REMARK Name = BDB037430 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.798 1.749 0.750 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -0.551 1.339 0.873 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -1.186 0.011 0.692 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -2.374 -0.128 1.663 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -3.163 1.167 2.026 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -2.534 2.424 1.869 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -4.256 1.066 2.600 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.234 2.444 1.337 0.00 0.00 +0.135 A ATOM 9 N LIG 1 -0.341 3.504 1.165 0.00 0.00 -0.218 N ATOM 10 N LIG 1 0.938 3.031 1.106 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -1.420 -0.141 -0.804 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -2.141 0.793 -1.571 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.330 0.603 -2.942 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -1.806 -0.523 -3.558 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.989 -0.706 -4.872 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.098 -1.468 -2.829 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -0.908 -1.280 -1.458 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 -0.566 4.880 0.899 0.00 0.00 +0.067 A ATOM 19 C LIG 1 0.426 5.818 1.216 0.00 0.00 +0.028 A ATOM 20 C LIG 1 0.225 7.170 0.932 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -0.952 7.586 0.309 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -1.922 6.649 -0.046 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -1.726 5.296 0.237 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -3.232 -1.297 1.439 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -2.966 -2.168 1.877 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.201 -1.311 0.460 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -4.503 -0.343 -0.225 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -4.872 -2.614 0.230 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.205 -2.967 -1.085 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -5.829 -4.196 -1.355 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -6.135 -5.051 -0.283 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -5.819 -4.690 1.030 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -5.188 -3.472 1.289 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -6.191 -4.565 -2.773 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -5.204 -4.265 -3.663 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -6.438 -5.896 -2.934 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -7.306 -3.922 -3.212 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -3.172 3.545 2.570 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -4.481 4.006 1.936 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 1.989 0.931 0.371 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 3.355 -0.838 1.510 0.00 0.00 +0.241 C ATOM 42 N LIG 1 2.325 0.054 1.479 0.00 0.00 -0.306 N ATOM 43 H LIG 1 2.118 0.410 2.405 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 3.789 -1.252 2.581 0.00 0.00 -0.271 OA BRANCH 41 46 ATOM 45 C LIG 1 3.206 -1.916 -0.671 0.00 0.00 +0.019 C ATOM 46 C LIG 1 3.971 -1.272 0.228 0.00 0.00 +0.021 C BRANCH 46 47 ATOM 47 C LIG 1 5.450 -0.982 0.141 0.00 0.00 +0.124 C BRANCH 47 48 ATOM 48 N LIG 1 6.107 -1.452 -1.096 0.00 0.00 -0.297 NA ATOM 49 C LIG 1 6.464 -2.897 -0.985 0.00 0.00 +0.097 C ATOM 50 C LIG 1 7.893 -2.502 -0.810 0.00 0.00 +0.043 C ATOM 51 C LIG 1 8.625 -2.877 0.436 0.00 0.00 +0.171 C ATOM 52 O LIG 1 9.652 -3.543 -0.357 0.00 0.00 -0.378 OA ATOM 53 C LIG 1 8.966 -3.179 -1.591 0.00 0.00 +0.171 C ATOM 54 C LIG 1 7.549 -1.073 -1.077 0.00 0.00 +0.097 C ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 11