REMARK Name = BDB037450 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.338 -2.762 -0.760 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.042 -1.606 -0.379 0.00 0.00 +0.135 A ATOM 3 C LIG 1 -0.598 -0.666 0.538 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -1.555 0.383 0.489 0.00 0.00 +0.086 A ATOM 5 N LIG 1 -2.450 0.161 -0.487 0.00 0.00 -0.168 NA ATOM 6 C LIG 1 0.617 -0.921 1.367 0.00 0.00 +0.083 C ATOM 7 C LIG 1 1.597 -1.871 0.645 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.295 -1.151 -0.797 0.00 0.00 -0.218 N ATOM 9 C LIG 1 0.930 -2.986 -0.188 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.598 -3.985 -0.485 0.00 0.00 -0.273 OA ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 1.217 0.400 1.825 0.00 0.00 -0.037 A ATOM 12 C LIG 1 1.585 1.428 0.932 0.00 0.00 +0.007 A ATOM 13 C LIG 1 2.165 2.610 1.398 0.00 0.00 +0.038 A ATOM 14 C LIG 1 2.387 2.774 2.758 0.00 0.00 +0.123 A ATOM 15 F LIG 1 2.945 3.907 3.204 0.00 0.00 -0.205 F ATOM 16 C LIG 1 2.042 1.778 3.661 0.00 0.00 +0.038 A ATOM 17 C LIG 1 1.464 0.595 3.198 0.00 0.00 +0.007 A ENDBRANCH 6 11 BRANCH 8 18 ATOM 18 C LIG 1 -3.432 -1.844 -1.287 0.00 0.00 +0.067 A ATOM 19 C LIG 1 -4.340 -1.173 -2.119 0.00 0.00 +0.028 A ATOM 20 C LIG 1 -5.481 -1.832 -2.580 0.00 0.00 +0.002 A ATOM 21 C LIG 1 -5.732 -3.147 -2.193 0.00 0.00 +0.000 A ATOM 22 C LIG 1 -4.854 -3.801 -1.329 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -3.710 -3.147 -0.866 0.00 0.00 +0.028 A ENDBRANCH 8 18 BRANCH 7 24 ATOM 24 N LIG 1 2.544 -1.228 -0.277 0.00 0.00 -0.299 N ATOM 25 H LIG 1 2.217 -0.971 -1.198 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 3.825 -0.912 0.120 0.00 0.00 +0.245 C ATOM 27 O LIG 1 4.254 -1.106 1.250 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 4.680 -0.252 -0.899 0.00 0.00 +0.037 A ATOM 29 C LIG 1 5.599 0.714 -0.470 0.00 0.00 +0.025 A ATOM 30 C LIG 1 6.423 1.375 -1.395 0.00 0.00 +0.056 A ATOM 31 C LIG 1 6.328 1.032 -2.753 0.00 0.00 +0.012 A ATOM 32 C LIG 1 5.423 0.057 -3.180 0.00 0.00 +0.001 A ATOM 33 C LIG 1 4.600 -0.587 -2.255 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 7.424 2.403 -0.927 0.00 0.00 +0.417 C ATOM 35 F LIG 1 6.983 3.130 0.137 0.00 0.00 -0.166 F ATOM 36 F LIG 1 7.739 3.314 -1.890 0.00 0.00 -0.166 F ATOM 37 F LIG 1 8.603 1.844 -0.541 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 7 24 BRANCH 1 39 ATOM 38 C LIG 1 -0.963 -5.075 -1.540 0.00 0.00 +0.025 C ATOM 39 C LIG 1 -0.682 -3.620 -1.903 0.00 0.00 +0.112 C ENDBRANCH 1 39 BRANCH 4 40 ATOM 40 C LIG 1 -1.678 1.631 1.318 0.00 0.00 +0.162 C BRANCH 40 41 ATOM 41 N LIG 1 -3.067 2.051 1.310 0.00 0.00 -0.309 N ATOM 42 H LIG 1 -3.598 1.710 0.513 0.00 0.00 +0.149 HD ATOM 43 C LIG 1 -3.482 3.152 2.021 0.00 0.00 +0.230 C ATOM 44 O LIG 1 -2.738 3.744 2.800 0.00 0.00 -0.274 OA BRANCH 43 45 ATOM 45 C LIG 1 -4.939 3.538 1.802 0.00 0.00 +0.174 C ATOM 46 C LIG 1 -5.398 4.582 2.815 0.00 0.00 +0.033 C BRANCH 45 47 ATOM 47 C LIG 1 -5.114 4.045 0.435 0.00 0.00 +0.075 C ATOM 48 N LIG 1 -5.272 4.420 -0.652 0.00 0.00 -0.196 NA ENDBRANCH 45 47 ENDBRANCH 43 45 ENDBRANCH 40 41 ENDBRANCH 4 40 TORSDOF 10