REMARK Name = BDB060803 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.227 0.119 0.282 0.00 0.00 +0.103 C ATOM 2 C LIG 1 -0.521 -0.879 1.199 0.00 0.00 +0.134 C ATOM 3 C LIG 1 -1.948 -1.264 0.885 0.00 0.00 +0.003 A ATOM 4 C LIG 1 -2.787 -0.848 1.922 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -4.151 -1.054 1.906 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -4.688 -1.716 0.802 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -3.859 -2.159 -0.242 0.00 0.00 +0.000 A ATOM 8 N LIG 1 -2.054 -0.231 2.921 0.00 0.00 -0.283 N ATOM 9 H LIG 1 -2.428 0.151 3.777 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -2.478 -1.941 -0.204 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -0.703 -0.194 2.609 0.00 0.00 +0.243 C ATOM 12 O LIG 1 0.175 0.296 3.305 0.00 0.00 -0.273 OA ATOM 13 N LIG 1 0.346 -2.072 1.362 0.00 0.00 -0.288 NA ATOM 14 H LIG 1 0.145 -2.739 0.612 0.00 0.00 +0.124 HD ATOM 15 C LIG 1 1.747 -1.573 1.197 0.00 0.00 +0.168 C ATOM 16 C LIG 1 1.614 -0.542 0.059 0.00 0.00 +0.058 C ENDROOT BRANCH 16 17 ATOM 17 C LIG 1 2.732 0.483 -0.022 0.00 0.00 -0.040 A ATOM 18 C LIG 1 3.390 0.694 -1.245 0.00 0.00 +0.025 A ATOM 19 C LIG 1 4.419 1.639 -1.356 0.00 0.00 +0.060 A ATOM 20 CL LIG 1 5.169 1.830 -2.901 0.00 0.00 -0.082 Cl ATOM 21 C LIG 1 4.798 2.390 -0.241 0.00 0.00 +0.059 A ATOM 22 CL LIG 1 6.052 3.576 -0.301 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 4.144 2.194 0.978 0.00 0.00 +0.022 A ATOM 24 C LIG 1 3.118 1.251 1.087 0.00 0.00 +0.005 A ENDBRANCH 16 17 BRANCH 1 28 ATOM 25 C LIG 1 -2.566 1.869 -3.681 0.00 0.00 +0.071 C ATOM 26 C LIG 1 -1.657 1.173 -2.739 0.00 0.00 +0.111 A ATOM 27 C LIG 1 -1.413 1.423 -1.365 0.00 0.00 +0.191 A ATOM 28 C LIG 1 -0.481 0.472 -0.993 0.00 0.00 +0.174 A ATOM 29 O LIG 1 -0.207 -0.302 -2.081 0.00 0.00 -0.357 OA ATOM 30 N LIG 1 -0.931 0.133 -3.167 0.00 0.00 -0.081 NA BRANCH 27 31 ATOM 31 N LIG 1 -2.004 2.418 -0.529 0.00 0.00 +0.062 N ATOM 32 O LIG 1 -1.735 2.375 0.677 0.00 0.00 -0.126 OA ATOM 33 O LIG 1 -2.745 3.245 -1.072 0.00 0.00 -0.126 OA ENDBRANCH 27 31 ENDBRANCH 1 28 BRANCH 15 34 ATOM 34 C LIG 1 2.801 -2.652 0.863 0.00 0.00 +0.405 C ATOM 35 F LIG 1 4.024 -2.117 0.666 0.00 0.00 -0.169 F ATOM 36 F LIG 1 2.909 -3.561 1.856 0.00 0.00 -0.169 F ATOM 37 F LIG 1 2.457 -3.319 -0.265 0.00 0.00 -0.169 F ENDBRANCH 15 34 TORSDOF 4