REMARK Name = BDB025709 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.588 1.075 0.397 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.706 0.519 0.243 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.847 1.313 0.395 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -1.735 2.676 0.713 0.00 0.00 +0.015 A ATOM 5 C LIG 1 -0.447 3.207 0.880 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -0.277 4.497 1.212 0.00 0.00 -0.205 F ATOM 7 C LIG 1 0.699 2.427 0.723 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 3.205 -2.124 1.595 0.00 0.00 +0.026 C ATOM 9 C LIG 1 3.786 -0.847 0.972 0.00 0.00 +0.071 C ATOM 10 N LIG 1 4.124 -1.153 -0.448 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 5.537 -1.510 -0.577 0.00 0.00 +0.105 C ATOM 12 C LIG 1 3.704 -0.059 -1.359 0.00 0.00 +0.071 C ATOM 13 C LIG 1 3.992 -0.365 -2.835 0.00 0.00 +0.026 C ATOM 14 C LIG 1 2.179 0.266 -1.222 0.00 0.00 +0.123 C ATOM 15 N LIG 1 1.708 0.241 0.188 0.00 0.00 -0.325 N ATOM 16 C LIG 1 2.793 0.339 1.173 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 -2.954 3.498 0.891 0.00 0.00 -0.039 C ATOM 18 C LIG 1 -4.110 2.908 1.668 0.00 0.00 +0.050 C ATOM 19 C LIG 1 -5.127 3.979 2.092 0.00 0.00 +0.086 C ATOM 20 N LIG 1 -5.468 4.873 0.980 0.00 0.00 -0.312 NA ATOM 21 H LIG 1 -5.799 4.305 0.199 0.00 0.00 +0.122 HD ATOM 22 C LIG 1 -4.278 5.601 0.531 0.00 0.00 +0.108 C ATOM 23 C LIG 1 -3.056 4.740 0.382 0.00 0.00 -0.008 C ENDBRANCH 4 17 BRANCH 2 24 ATOM 24 N LIG 1 -0.737 -0.863 -0.036 0.00 0.00 -0.280 N ATOM 25 H LIG 1 0.199 -1.265 -0.070 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -1.824 -1.666 -0.259 0.00 0.00 +0.250 C ATOM 27 O LIG 1 -3.004 -1.350 -0.288 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -1.431 -3.081 -0.511 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -1.508 -3.688 -1.835 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -1.137 -4.975 -1.991 0.00 0.00 +0.083 A ATOM 31 C LIG 1 -0.663 -5.771 -0.831 0.00 0.00 +0.249 A ATOM 32 O LIG 1 -0.323 -6.939 -0.960 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -0.629 -5.110 0.372 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -0.312 -5.658 1.165 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 -1.004 -3.800 0.539 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 -1.970 -2.843 -2.983 0.00 0.00 +0.418 C ATOM 37 F LIG 1 -1.820 -3.483 -4.175 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -1.258 -1.692 -3.085 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -3.280 -2.512 -2.894 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 2 24 TORSDOF 5