REMARK Name = BDB037474 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.006 2.344 1.326 0.00 0.00 -0.254 N ATOM 2 C LIG 1 -1.010 1.635 0.657 0.00 0.00 +0.136 A ATOM 3 C LIG 1 -0.790 0.681 -0.315 0.00 0.00 +0.035 A ATOM 4 C LIG 1 -2.064 0.392 -0.875 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.007 1.143 -0.278 0.00 0.00 -0.160 NA ATOM 6 C LIG 1 0.566 0.175 -0.656 0.00 0.00 +0.084 C ATOM 7 C LIG 1 1.628 1.218 -0.260 0.00 0.00 +0.172 C ATOM 8 N LIG 1 -2.391 1.653 0.826 0.00 0.00 -0.217 N ATOM 9 C LIG 1 1.327 1.989 1.052 0.00 0.00 +0.242 C ATOM 10 O LIG 1 2.265 2.373 1.764 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -2.349 -0.532 -1.994 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.563 -1.227 -2.027 0.00 0.00 -0.276 N ATOM 13 C LIG 1 -4.635 -1.142 -1.009 0.00 0.00 +0.205 C ATOM 14 C LIG 1 -5.932 -1.814 -1.512 0.00 0.00 +0.197 C ATOM 15 O LIG 1 -5.781 -3.158 -1.990 0.00 0.00 -0.375 OA ATOM 16 C LIG 1 -4.514 -3.432 -2.601 0.00 0.00 +0.179 C ATOM 17 C LIG 1 -3.796 -2.182 -3.112 0.00 0.00 +0.137 C ATOM 18 O LIG 1 -1.502 -0.710 -2.869 0.00 0.00 -0.268 OA BRANCH 13 19 ATOM 19 C LIG 1 -4.227 -1.747 0.281 0.00 0.00 +0.087 C ATOM 20 N LIG 1 -3.891 -2.211 1.291 0.00 0.00 -0.195 NA ENDBRANCH 13 19 ENDBRANCH 4 11 BRANCH 6 21 ATOM 21 C LIG 1 0.667 -1.187 0.026 0.00 0.00 -0.037 A ATOM 22 C LIG 1 0.730 -2.339 -0.782 0.00 0.00 +0.007 A ATOM 23 C LIG 1 0.830 -3.610 -0.214 0.00 0.00 +0.038 A ATOM 24 C LIG 1 0.869 -3.740 1.167 0.00 0.00 +0.123 A ATOM 25 F LIG 1 0.970 -4.959 1.713 0.00 0.00 -0.205 F ATOM 26 C LIG 1 0.810 -2.623 1.989 0.00 0.00 +0.038 A ATOM 27 C LIG 1 0.713 -1.349 1.424 0.00 0.00 +0.007 A ENDBRANCH 6 21 BRANCH 8 28 ATOM 28 C LIG 1 -3.183 1.913 1.977 0.00 0.00 +0.067 A ATOM 29 C LIG 1 -4.525 2.287 1.817 0.00 0.00 +0.028 A ATOM 30 C LIG 1 -5.328 2.503 2.939 0.00 0.00 +0.002 A ATOM 31 C LIG 1 -4.803 2.324 4.218 0.00 0.00 +0.000 A ATOM 32 C LIG 1 -3.478 1.919 4.380 0.00 0.00 +0.002 A ATOM 33 C LIG 1 -2.668 1.705 3.264 0.00 0.00 +0.028 A ENDBRANCH 8 28 BRANCH 7 34 ATOM 34 N LIG 1 2.995 0.692 -0.189 0.00 0.00 -0.299 N ATOM 35 H LIG 1 3.530 0.962 0.631 0.00 0.00 +0.150 HD ATOM 36 C LIG 1 3.652 0.244 -1.309 0.00 0.00 +0.245 C ATOM 37 O LIG 1 3.137 0.219 -2.420 0.00 0.00 -0.270 OA BRANCH 36 38 ATOM 38 C LIG 1 5.062 -0.192 -1.122 0.00 0.00 +0.037 A ATOM 39 C LIG 1 5.933 -0.124 -2.218 0.00 0.00 +0.025 A ATOM 40 C LIG 1 7.270 -0.536 -2.096 0.00 0.00 +0.056 A ATOM 41 C LIG 1 7.721 -1.017 -0.857 0.00 0.00 +0.012 A ATOM 42 C LIG 1 6.851 -1.104 0.232 0.00 0.00 +0.001 A ATOM 43 C LIG 1 5.523 -0.696 0.100 0.00 0.00 +0.013 A BRANCH 40 44 ATOM 44 C LIG 1 8.221 -0.429 -3.264 0.00 0.00 +0.417 C ATOM 45 F LIG 1 9.123 -1.449 -3.307 0.00 0.00 -0.166 F ATOM 46 F LIG 1 7.598 -0.433 -4.474 0.00 0.00 -0.166 F ATOM 47 F LIG 1 8.955 0.718 -3.223 0.00 0.00 -0.166 F ENDBRANCH 40 44 ENDBRANCH 36 38 ENDBRANCH 7 34 BRANCH 1 49 ATOM 48 C LIG 1 0.200 4.807 1.479 0.00 0.00 +0.025 C ATOM 49 C LIG 1 -0.207 3.515 2.181 0.00 0.00 +0.112 C ENDBRANCH 1 49 TORSDOF 8