REMARK Name = BDB063763 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.325 0.354 0.102 0.00 0.00 +0.173 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.356 1.704 0.323 0.00 0.00 -0.018 A ATOM 3 C LIG 1 1.014 2.339 -0.746 0.00 0.00 +0.027 A ATOM 4 C LIG 1 1.656 3.571 -0.567 0.00 0.00 +0.060 A ATOM 5 CL LIG 1 2.442 4.268 -1.940 0.00 0.00 -0.082 Cl ATOM 6 C LIG 1 1.646 4.189 0.685 0.00 0.00 +0.059 A ATOM 7 CL LIG 1 2.416 5.708 0.978 0.00 0.00 -0.082 Cl ATOM 8 C LIG 1 0.991 3.574 1.754 0.00 0.00 +0.022 A ATOM 9 C LIG 1 0.352 2.343 1.574 0.00 0.00 +0.007 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 O LIG 1 -2.421 1.178 1.067 0.00 0.00 -0.290 OA ATOM 11 C LIG 1 -1.860 0.437 0.259 0.00 0.00 +0.188 C BRANCH 11 12 ATOM 12 C LIG 1 -2.709 -0.450 -0.589 0.00 0.00 +0.020 A ATOM 13 C LIG 1 -2.243 -1.671 -1.095 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -3.079 -2.466 -1.885 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -4.380 -2.049 -2.163 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -5.403 -3.031 -3.135 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -4.857 -0.843 -1.653 0.00 0.00 +0.020 A ATOM 18 C LIG 1 -4.024 -0.046 -0.863 0.00 0.00 +0.013 A ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 19 ATOM 19 N LIG 1 0.179 -0.653 1.053 0.00 0.00 -0.330 N ATOM 20 H LIG 1 -0.123 -0.449 2.005 0.00 0.00 +0.147 HD BRANCH 19 21 ATOM 21 C LIG 1 1.479 -1.154 0.996 0.00 0.00 +0.033 A ATOM 22 C LIG 1 1.989 -1.813 2.124 0.00 0.00 +0.061 A ATOM 23 C LIG 1 3.258 -2.393 2.107 0.00 0.00 +0.128 A ATOM 24 F LIG 1 3.718 -2.999 3.209 0.00 0.00 -0.205 F ATOM 25 C LIG 1 4.044 -2.361 0.969 0.00 0.00 +0.076 A ATOM 26 C LIG 1 3.531 -1.748 -0.162 0.00 0.00 +0.128 A ATOM 27 F LIG 1 4.261 -1.724 -1.285 0.00 0.00 -0.205 F ATOM 28 C LIG 1 2.263 -1.163 -0.162 0.00 0.00 +0.061 A ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 5