REMARK Name = BDB027325 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.315 -0.467 -0.625 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.436 -0.895 0.383 0.00 0.00 +0.053 A ATOM 3 C LIG 1 -0.771 -2.086 1.031 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.866 -2.841 0.767 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.713 -2.413 -0.197 0.00 0.00 +0.074 A ATOM 6 C LIG 1 -2.454 -1.245 -0.913 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.885 -3.278 -0.436 0.00 0.00 +0.038 A ATOM 8 C LIG 1 -5.125 -2.778 -0.878 0.00 0.00 +0.136 A ATOM 9 F LIG 1 -5.293 -1.463 -1.086 0.00 0.00 -0.205 F ATOM 10 C LIG 1 -6.227 -3.607 -1.100 0.00 0.00 +0.087 A ATOM 11 C LIG 1 -6.104 -4.968 -0.874 0.00 0.00 +0.155 A ATOM 12 C LIG 1 -4.897 -5.494 -0.430 0.00 0.00 +0.165 A ATOM 13 F LIG 1 -4.794 -6.814 -0.214 0.00 0.00 -0.202 F ATOM 14 C LIG 1 -3.800 -4.668 -0.210 0.00 0.00 +0.055 A BRANCH 11 15 ATOM 15 O LIG 1 -7.185 -5.771 -1.094 0.00 0.00 -0.504 OA ATOM 16 H LIG 1 -6.916 -6.683 -0.870 0.00 0.00 +0.292 HD ENDBRANCH 11 15 ENDBRANCH 5 7 BRANCH 2 17 ATOM 17 N LIG 1 0.713 -0.145 0.688 0.00 0.00 -0.327 N ATOM 18 C LIG 1 1.901 -0.612 -0.069 0.00 0.00 +0.129 C ATOM 19 C LIG 1 3.246 0.036 0.442 0.00 0.00 +0.064 C ATOM 20 C LIG 1 2.948 1.358 1.175 0.00 0.00 +0.028 C ATOM 21 C LIG 1 1.921 1.221 2.305 0.00 0.00 +0.021 C ATOM 22 C LIG 1 0.966 0.043 2.122 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 3.880 -0.897 1.420 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 4.203 -1.717 0.894 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 4.710 -0.484 1.838 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 4.177 0.232 -0.798 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 5.444 1.050 -0.545 0.00 0.00 +0.371 C ATOM 28 F LIG 1 5.145 2.355 -0.341 0.00 0.00 -0.206 F ATOM 29 F LIG 1 6.203 1.013 -1.678 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 4.530 -1.075 -1.311 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 5.128 -0.920 -2.070 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 2 17 BRANCH 1 32 ATOM 32 C LIG 1 -1.075 0.793 -1.426 0.00 0.00 +0.161 C BRANCH 32 37 ATOM 33 C LIG 1 0.375 5.117 0.192 0.00 0.00 +0.147 A ATOM 34 C LIG 1 -0.420 3.960 0.148 0.00 0.00 +0.147 A ATOM 35 N LIG 1 -1.513 3.554 0.887 0.00 0.00 -0.231 NA ATOM 36 C LIG 1 -1.836 2.379 0.387 0.00 0.00 +0.202 A ATOM 37 N LIG 1 -0.990 2.000 -0.623 0.00 0.00 -0.310 N ATOM 38 C LIG 1 -0.080 3.007 -0.800 0.00 0.00 +0.166 A ATOM 39 N LIG 1 0.926 3.070 -1.692 0.00 0.00 -0.216 NA ATOM 40 C LIG 1 1.618 4.220 -1.550 0.00 0.00 +0.225 A ATOM 41 N LIG 1 1.414 5.222 -0.668 0.00 0.00 -0.219 NA BRANCH 33 42 ATOM 42 N LIG 1 0.158 6.155 1.089 0.00 0.00 -0.341 N ATOM 43 H LIG 1 -0.392 5.878 1.895 0.00 0.00 +0.144 HD ATOM 44 H LIG 1 0.993 6.702 1.249 0.00 0.00 +0.144 HD ENDBRANCH 33 42 ENDBRANCH 32 37 ENDBRANCH 1 32 TORSDOF 10