REMARK Name = BDB019659 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.790 -0.495 1.046 0.00 0.00 +0.126 A ATOM 2 N LIG 1 0.565 0.786 0.641 0.00 0.00 -0.242 NA ATOM 3 C LIG 1 -0.685 1.105 0.247 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -1.721 0.170 0.253 0.00 0.00 +0.033 A ATOM 5 C LIG 1 -1.472 -1.150 0.659 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.180 -1.486 1.065 0.00 0.00 +0.038 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -0.867 2.499 -0.204 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -0.335 3.607 0.506 0.00 0.00 +0.067 A ATOM 9 C LIG 1 -0.518 4.910 -0.005 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -1.220 5.116 -1.184 0.00 0.00 +0.124 A ATOM 11 F LIG 1 -1.383 6.362 -1.646 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -1.751 4.049 -1.888 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -1.573 2.752 -1.403 0.00 0.00 +0.013 A BRANCH 8 14 ATOM 14 C LIG 1 0.433 3.445 1.801 0.00 0.00 +0.418 C ATOM 15 F LIG 1 1.715 3.015 1.620 0.00 0.00 -0.166 F ATOM 16 F LIG 1 -0.151 2.590 2.685 0.00 0.00 -0.166 F ATOM 17 F LIG 1 0.552 4.623 2.486 0.00 0.00 -0.166 F ENDBRANCH 8 14 ENDBRANCH 3 7 BRANCH 1 19 ATOM 18 O LIG 1 2.526 -1.945 1.785 0.00 0.00 -0.269 OA ATOM 19 C LIG 1 2.184 -0.803 1.502 0.00 0.00 +0.263 C ATOM 20 N LIG 1 3.012 0.295 1.569 0.00 0.00 -0.306 N ATOM 21 H LIG 1 2.623 1.181 1.252 0.00 0.00 +0.149 HD BRANCH 20 22 ATOM 22 C LIG 1 4.417 0.201 1.865 0.00 0.00 +0.140 C BRANCH 22 23 ATOM 23 C LIG 1 5.229 0.213 0.595 0.00 0.00 -0.029 A ATOM 24 C LIG 1 5.432 -0.976 -0.123 0.00 0.00 +0.026 A ATOM 25 C LIG 1 6.159 -0.973 -1.318 0.00 0.00 +0.060 A ATOM 26 CL LIG 1 6.364 -2.479 -2.140 0.00 0.00 -0.082 Cl ATOM 27 C LIG 1 6.686 0.226 -1.808 0.00 0.00 +0.059 A ATOM 28 CL LIG 1 7.594 0.310 -3.276 0.00 0.00 -0.082 Cl ATOM 29 C LIG 1 6.480 1.415 -1.103 0.00 0.00 +0.022 A ATOM 30 C LIG 1 5.752 1.410 0.090 0.00 0.00 +0.007 A ENDBRANCH 22 23 ENDBRANCH 20 22 ENDBRANCH 1 19 BRANCH 5 31 ATOM 31 C LIG 1 -2.581 -2.172 0.673 0.00 0.00 +0.138 C BRANCH 31 32 ATOM 32 N LIG 1 -3.143 -2.293 -0.652 0.00 0.00 -0.329 N ATOM 33 H LIG 1 -2.456 -2.367 -1.398 0.00 0.00 +0.147 HD BRANCH 32 34 ATOM 34 C LIG 1 -4.255 -3.028 -0.937 0.00 0.00 +0.090 C ATOM 35 C LIG 1 -5.321 -3.325 0.079 0.00 0.00 +0.073 C ATOM 36 C LIG 1 -6.450 -3.703 -0.849 0.00 0.00 +0.031 C ATOM 37 C LIG 1 -5.713 -4.275 -2.044 0.00 0.00 +0.143 C ATOM 38 N LIG 1 -4.439 -3.533 -2.120 0.00 0.00 -0.273 NA ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8