REMARK Name = BDB019662 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.024 -1.640 -0.927 0.00 0.00 +0.126 A ATOM 2 N LIG 1 -0.764 -2.717 -0.571 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -2.087 -2.531 -0.380 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -2.705 -1.294 -0.563 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -1.933 -0.188 -0.932 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.559 -0.372 -1.120 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -2.832 -3.736 0.012 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -3.444 -3.885 1.280 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -4.152 -5.068 1.571 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -4.231 -6.091 0.633 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -4.906 -7.207 0.932 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -3.615 -5.972 -0.602 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.918 -4.803 -0.908 0.00 0.00 +0.013 A BRANCH 8 14 ATOM 14 C LIG 1 -3.360 -2.806 2.333 0.00 0.00 +0.418 C ATOM 15 F LIG 1 -3.785 -3.216 3.562 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -4.135 -1.728 2.024 0.00 0.00 -0.166 F ATOM 17 F LIG 1 -2.103 -2.322 2.526 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 20 ATOM 18 N LIG 1 2.276 -0.896 -0.614 0.00 0.00 -0.304 N ATOM 19 H LIG 1 1.889 -0.227 0.040 0.00 0.00 +0.150 HD ATOM 20 C LIG 1 1.441 -1.878 -1.120 0.00 0.00 +0.263 C ATOM 21 O LIG 1 1.850 -2.887 -1.682 0.00 0.00 -0.269 OA BRANCH 18 22 ATOM 22 C LIG 1 3.722 -1.053 -0.630 0.00 0.00 +0.100 C ATOM 23 C LIG 1 4.299 -0.832 -2.031 0.00 0.00 +0.033 C BRANCH 22 30 ATOM 24 C LIG 1 4.758 3.636 0.986 0.00 0.00 +0.045 C ATOM 25 C LIG 1 4.846 2.150 1.193 0.00 0.00 -0.032 A ATOM 26 C LIG 1 5.472 1.595 2.318 0.00 0.00 +0.044 A ATOM 27 CL LIG 1 6.186 2.588 3.538 0.00 0.00 -0.083 Cl ATOM 28 C LIG 1 5.532 0.211 2.485 0.00 0.00 +0.020 A ATOM 29 C LIG 1 4.970 -0.638 1.530 0.00 0.00 +0.007 A ATOM 30 C LIG 1 4.346 -0.114 0.391 0.00 0.00 -0.027 A ATOM 31 C LIG 1 4.286 1.284 0.238 0.00 0.00 +0.010 A ENDBRANCH 22 30 ENDBRANCH 18 22 ENDBRANCH 1 20 BRANCH 5 32 ATOM 32 C LIG 1 -2.561 1.167 -1.145 0.00 0.00 +0.138 C BRANCH 32 33 ATOM 33 N LIG 1 -1.934 2.130 -0.273 0.00 0.00 -0.329 N ATOM 34 H LIG 1 -1.791 1.821 0.686 0.00 0.00 +0.147 HD BRANCH 33 35 ATOM 35 C LIG 1 -2.120 3.478 -0.345 0.00 0.00 +0.090 C ATOM 36 C LIG 1 -2.614 4.175 -1.581 0.00 0.00 +0.073 C ATOM 37 C LIG 1 -3.054 5.484 -0.970 0.00 0.00 +0.031 C ATOM 38 C LIG 1 -2.124 5.621 0.219 0.00 0.00 +0.143 C ATOM 39 N LIG 1 -1.848 4.242 0.670 0.00 0.00 -0.273 NA ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 8