REMARK Name = BDB033543 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.782 -1.007 0.820 0.00 0.00 -0.011 A ATOM 2 C LIG 1 -2.855 -1.626 -0.029 0.00 0.00 +0.038 A ATOM 3 C LIG 1 -1.665 -0.952 -0.343 0.00 0.00 +0.090 A ATOM 4 N LIG 1 -0.626 -1.363 -1.117 0.00 0.00 -0.230 NA ATOM 5 C LIG 1 0.295 -0.410 -1.082 0.00 0.00 +0.132 A ATOM 6 N LIG 1 -0.180 0.680 -0.359 0.00 0.00 -0.323 N ATOM 7 C LIG 1 -1.417 0.308 0.173 0.00 0.00 +0.069 A ATOM 8 C LIG 1 -2.326 0.944 1.034 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -3.510 0.261 1.345 0.00 0.00 +0.011 A ENDROOT BRANCH 6 10 ATOM 10 C LIG 1 0.367 1.999 -0.103 0.00 0.00 +0.090 C ATOM 11 C LIG 1 1.366 2.094 1.068 0.00 0.00 +0.035 C ATOM 12 C LIG 1 2.196 3.311 0.783 0.00 0.00 +0.069 C ATOM 13 C LIG 1 1.575 4.631 0.503 0.00 0.00 +0.255 C ATOM 14 F LIG 1 0.254 4.869 0.800 0.00 0.00 -0.205 F ATOM 15 F LIG 1 2.270 5.792 0.737 0.00 0.00 -0.205 F ATOM 16 C LIG 1 1.953 3.748 -0.632 0.00 0.00 +0.069 C ATOM 17 C LIG 1 0.974 2.803 -1.268 0.00 0.00 +0.035 C ENDBRANCH 6 10 BRANCH 1 20 ATOM 18 C LIG 1 -4.967 -1.855 3.777 0.00 0.00 +0.070 C ATOM 19 C LIG 1 -5.552 -2.048 2.430 0.00 0.00 +0.088 A ATOM 20 C LIG 1 -5.014 -1.682 1.168 0.00 0.00 +0.047 A ATOM 21 C LIG 1 -5.966 -2.103 0.265 0.00 0.00 +0.142 A ATOM 22 C LIG 1 -6.102 -2.052 -1.204 0.00 0.00 +0.090 C ATOM 23 O LIG 1 -6.996 -2.682 0.939 0.00 0.00 -0.359 OA ATOM 24 N LIG 1 -6.743 -2.645 2.297 0.00 0.00 -0.083 NA ENDBRANCH 1 20 BRANCH 5 25 ATOM 25 C LIG 1 1.626 -0.665 -1.773 0.00 0.00 +0.147 C ATOM 26 N LIG 1 2.825 -0.227 -1.029 0.00 0.00 -0.261 N ATOM 27 C LIG 1 3.682 0.731 -1.583 0.00 0.00 +0.220 C ATOM 28 O LIG 1 4.408 1.479 -0.925 0.00 0.00 -0.275 OA ATOM 29 C LIG 1 3.701 0.882 -3.095 0.00 0.00 +0.096 C ATOM 30 C LIG 1 2.930 -0.183 -3.841 0.00 0.00 +0.011 C ATOM 31 C LIG 1 1.541 -0.260 -3.251 0.00 0.00 +0.031 C BRANCH 26 32 ATOM 32 C LIG 1 3.194 -0.938 0.196 0.00 0.00 +0.040 A ATOM 33 C LIG 1 2.354 -1.908 0.778 0.00 0.00 +0.064 A ATOM 34 C LIG 1 2.718 -2.580 1.948 0.00 0.00 +0.160 A ATOM 35 F LIG 1 1.878 -3.487 2.467 0.00 0.00 -0.202 F ATOM 36 C LIG 1 3.928 -2.323 2.566 0.00 0.00 +0.159 A ATOM 37 F LIG 1 4.273 -2.970 3.687 0.00 0.00 -0.202 F ATOM 38 C LIG 1 4.792 -1.395 2.015 0.00 0.00 +0.043 A ATOM 39 C LIG 1 4.429 -0.719 0.840 0.00 0.00 +0.026 A ENDBRANCH 26 32 ENDBRANCH 5 25 TORSDOF 4