REMARK Name = BDB063056 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.715 -0.287 1.146 0.00 0.00 +0.073 A ATOM 2 C LIG 1 0.851 0.913 1.844 0.00 0.00 +0.137 A ATOM 3 F LIG 1 2.060 1.384 2.185 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.264 1.665 2.209 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -1.549 1.225 1.876 0.00 0.00 +0.056 A ATOM 6 CL LIG 1 -2.868 2.208 2.402 0.00 0.00 -0.083 Cl ATOM 7 C LIG 1 -1.713 0.026 1.169 0.00 0.00 +0.056 A ATOM 8 C LIG 1 -0.576 -0.726 0.815 0.00 0.00 +0.030 A ENDROOT BRANCH 1 10 ATOM 9 O LIG 1 1.702 -2.063 -0.036 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.878 -1.115 0.721 0.00 0.00 +0.247 C ATOM 11 N LIG 1 3.119 -0.763 1.201 0.00 0.00 -0.307 N ATOM 12 H LIG 1 3.226 0.087 1.741 0.00 0.00 +0.149 HD BRANCH 11 13 ATOM 13 C LIG 1 4.324 -1.428 0.761 0.00 0.00 +0.140 C BRANCH 13 14 ATOM 14 C LIG 1 5.016 -0.618 -0.306 0.00 0.00 -0.027 A ATOM 15 C LIG 1 4.581 -0.695 -1.640 0.00 0.00 +0.046 A ATOM 16 C LIG 1 5.202 0.073 -2.620 0.00 0.00 +0.159 A ATOM 17 F LIG 1 4.776 -0.009 -3.889 0.00 0.00 -0.202 F ATOM 18 C LIG 1 6.250 0.922 -2.289 0.00 0.00 +0.158 A ATOM 19 F LIG 1 6.844 1.663 -3.234 0.00 0.00 -0.202 F ATOM 20 C LIG 1 6.689 1.017 -0.973 0.00 0.00 +0.041 A ATOM 21 C LIG 1 6.071 0.251 0.019 0.00 0.00 +0.008 A ENDBRANCH 13 14 ENDBRANCH 11 13 ENDBRANCH 1 10 BRANCH 7 22 ATOM 22 C LIG 1 -3.032 -0.547 0.783 0.00 0.00 +0.251 C ATOM 23 N LIG 1 -3.937 0.351 0.260 0.00 0.00 -0.266 N ATOM 24 H LIG 1 -3.681 1.326 0.230 0.00 0.00 +0.157 HD ATOM 25 O LIG 1 -3.170 -1.755 0.930 0.00 0.00 -0.270 OA BRANCH 23 26 ATOM 26 C LIG 1 -5.225 0.037 -0.196 0.00 0.00 +0.125 A ATOM 27 N LIG 1 -5.668 -1.231 -0.195 0.00 0.00 -0.240 NA ATOM 28 C LIG 1 -6.917 -1.469 -0.650 0.00 0.00 +0.113 A ATOM 29 C LIG 1 -7.765 -0.483 -1.119 0.00 0.00 +0.020 A ATOM 30 C LIG 1 -7.301 0.825 -1.119 0.00 0.00 +0.005 A ATOM 31 C LIG 1 -6.014 1.091 -0.652 0.00 0.00 +0.044 A ENDBRANCH 23 26 ENDBRANCH 7 22 TORSDOF 5