REMARK Name = BDB007465 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.020 0.893 -0.799 0.00 0.00 +0.150 C ATOM 2 C LIG 1 -0.159 -0.329 0.145 0.00 0.00 +0.069 C ATOM 3 C LIG 1 -1.424 -0.018 0.999 0.00 0.00 +0.098 C ATOM 4 C LIG 1 -2.359 -1.162 1.347 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -2.255 -1.452 2.709 0.00 0.00 +0.039 A ATOM 6 C LIG 1 -2.979 -2.451 3.326 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -3.865 -3.174 2.529 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -4.020 -2.878 1.165 0.00 0.00 +0.020 A ATOM 9 CL LIG 1 -4.802 -4.435 3.233 0.00 0.00 -0.083 Cl ATOM 10 N LIG 1 -1.386 -0.566 3.318 0.00 0.00 -0.284 N ATOM 11 H LIG 1 -1.184 -0.520 4.306 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -3.272 -1.856 0.569 0.00 0.00 +0.008 A ATOM 13 C LIG 1 -0.904 0.371 2.417 0.00 0.00 +0.230 C ATOM 14 O LIG 1 -0.172 1.302 2.709 0.00 0.00 -0.274 OA ATOM 15 C LIG 1 -2.094 1.165 0.272 0.00 0.00 +0.075 C ATOM 16 N LIG 1 -0.979 1.919 -0.323 0.00 0.00 -0.301 NA ATOM 17 H LIG 1 -0.501 2.470 0.405 0.00 0.00 +0.123 HD ENDROOT BRANCH 2 18 ATOM 18 C LIG 1 -0.090 -1.669 -0.572 0.00 0.00 -0.004 A ATOM 19 C LIG 1 -0.866 -1.974 -1.698 0.00 0.00 +0.145 A ATOM 20 F LIG 1 -1.729 -1.060 -2.167 0.00 0.00 -0.204 F ATOM 21 C LIG 1 -0.774 -3.217 -2.328 0.00 0.00 +0.076 A ATOM 22 CL LIG 1 -1.749 -3.575 -3.701 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 0.107 -4.181 -1.844 0.00 0.00 +0.023 A ATOM 24 C LIG 1 0.891 -3.897 -0.727 0.00 0.00 +0.002 A ATOM 25 C LIG 1 0.792 -2.655 -0.095 0.00 0.00 +0.007 A ENDBRANCH 2 18 BRANCH 1 28 ATOM 26 N LIG 1 2.342 0.655 -1.423 0.00 0.00 -0.308 N ATOM 27 H LIG 1 2.063 -0.294 -1.637 0.00 0.00 +0.149 HD ATOM 28 C LIG 1 1.419 1.443 -0.755 0.00 0.00 +0.231 C ATOM 29 O LIG 1 1.736 2.466 -0.152 0.00 0.00 -0.274 OA BRANCH 26 35 ATOM 30 C LIG 1 7.530 -0.765 -1.129 0.00 0.00 +0.105 C ATOM 31 N LIG 1 6.130 -0.955 -0.758 0.00 0.00 -0.302 NA ATOM 32 C LIG 1 5.695 0.062 0.221 0.00 0.00 +0.123 C ATOM 33 C LIG 1 4.191 0.347 0.188 0.00 0.00 +0.200 C ATOM 34 F LIG 1 3.515 -0.816 0.452 0.00 0.00 -0.242 F ATOM 35 C LIG 1 3.773 0.868 -1.200 0.00 0.00 +0.109 C ATOM 36 C LIG 1 4.601 0.245 -2.335 0.00 0.00 +0.040 C ATOM 37 C LIG 1 5.247 -1.074 -1.922 0.00 0.00 +0.086 C ENDBRANCH 26 35 ENDBRANCH 1 28 BRANCH 15 38 ATOM 38 C LIG 1 -3.011 2.041 1.153 0.00 0.00 +0.026 C BRANCH 38 39 ATOM 39 C LIG 1 -3.977 3.026 0.430 0.00 0.00 -0.036 C ATOM 40 C LIG 1 -3.230 4.066 -0.420 0.00 0.00 +0.010 C ATOM 41 C LIG 1 -4.975 2.267 -0.462 0.00 0.00 +0.010 C ATOM 42 C LIG 1 -4.777 3.779 1.515 0.00 0.00 +0.010 C ENDBRANCH 38 39 ENDBRANCH 15 38 TORSDOF 5