REMARK Name = BDB006189 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.210 -0.033 0.914 0.00 0.00 +0.146 C ATOM 2 N LIG 1 -1.782 1.321 1.143 0.00 0.00 -0.252 N ATOM 3 C LIG 1 -0.839 2.354 0.901 0.00 0.00 +0.272 C ATOM 4 O LIG 1 -0.961 3.563 1.013 0.00 0.00 -0.268 OA ATOM 5 C LIG 1 0.362 1.656 0.494 0.00 0.00 +0.154 A ATOM 6 N LIG 1 1.558 2.026 0.064 0.00 0.00 -0.161 NA ATOM 7 N LIG 1 2.236 0.838 -0.078 0.00 0.00 -0.235 N ATOM 8 C LIG 1 1.358 -0.266 0.019 0.00 0.00 +0.054 A ATOM 9 C LIG 1 0.177 0.286 0.483 0.00 0.00 +0.031 A ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 -1.999 0.975 -1.980 0.00 0.00 +0.044 C ATOM 11 C LIG 1 -2.221 -0.427 -1.478 0.00 0.00 -0.044 A ATOM 12 C LIG 1 -1.863 -0.870 -0.180 0.00 0.00 -0.019 A ATOM 13 C LIG 1 -2.127 -2.222 0.154 0.00 0.00 +0.007 A ATOM 14 C LIG 1 -2.718 -3.107 -0.748 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -3.061 -2.659 -2.014 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 -3.787 -3.739 -3.138 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 -2.817 -1.338 -2.378 0.00 0.00 +0.023 A ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -3.115 1.526 1.622 0.00 0.00 +0.074 A ATOM 19 C LIG 1 -3.869 0.492 2.204 0.00 0.00 +0.163 A ATOM 20 F LIG 1 -3.321 -0.717 2.408 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -5.182 0.701 2.641 0.00 0.00 +0.078 A ATOM 22 CL LIG 1 -6.079 -0.585 3.356 0.00 0.00 -0.081 Cl ATOM 23 C LIG 1 -5.775 1.952 2.514 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -5.046 2.995 1.952 0.00 0.00 +0.003 A ATOM 25 C LIG 1 -3.732 2.783 1.514 0.00 0.00 +0.026 A ENDBRANCH 2 18 BRANCH 7 26 ATOM 26 C LIG 1 3.650 0.920 -0.238 0.00 0.00 +0.067 A ATOM 27 C LIG 1 4.508 -0.082 0.221 0.00 0.00 +0.046 A ATOM 28 C LIG 1 5.897 0.051 0.073 0.00 0.00 +0.054 A ATOM 29 C LIG 1 6.433 1.199 -0.518 0.00 0.00 +0.019 A ATOM 30 C LIG 1 5.586 2.219 -0.945 0.00 0.00 +0.003 A ATOM 31 C LIG 1 4.204 2.086 -0.795 0.00 0.00 +0.028 A BRANCH 28 32 ATOM 32 C LIG 1 6.767 -0.988 0.541 0.00 0.00 +0.099 C ATOM 33 N LIG 1 7.461 -1.837 0.920 0.00 0.00 -0.191 NA ENDBRANCH 28 32 ENDBRANCH 7 26 BRANCH 8 34 ATOM 34 C LIG 1 1.569 -1.698 -0.413 0.00 0.00 +0.032 C ATOM 35 C LIG 1 2.513 -1.913 -1.593 0.00 0.00 +0.014 C ATOM 36 C LIG 1 1.847 -2.637 0.759 0.00 0.00 +0.014 C ENDBRANCH 8 34 TORSDOF 5