REMARK Name = BDB063753 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.009 -0.515 0.638 0.00 0.00 +0.174 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.085 1.002 0.783 0.00 0.00 -0.001 A ATOM 3 C LIG 1 -0.564 1.594 1.972 0.00 0.00 +0.049 A ATOM 4 CL LIG 1 -1.043 0.647 3.339 0.00 0.00 -0.083 Cl ATOM 5 C LIG 1 -0.655 2.982 2.101 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.272 3.794 1.044 0.00 0.00 +0.125 A ATOM 7 F LIG 1 -0.358 5.124 1.169 0.00 0.00 -0.205 F ATOM 8 C LIG 1 0.202 3.248 -0.139 0.00 0.00 +0.039 A ATOM 9 C LIG 1 0.295 1.861 -0.271 0.00 0.00 +0.010 A ENDBRANCH 1 2 BRANCH 1 11 ATOM 10 O LIG 1 0.679 -1.232 -1.619 0.00 0.00 -0.290 OA ATOM 11 C LIG 1 0.984 -1.026 -0.444 0.00 0.00 +0.188 C BRANCH 11 12 ATOM 12 C LIG 1 2.413 -1.271 -0.064 0.00 0.00 +0.020 A ATOM 13 C LIG 1 3.155 -2.171 -0.844 0.00 0.00 +0.013 A ATOM 14 C LIG 1 4.494 -2.437 -0.544 0.00 0.00 +0.020 A ATOM 15 C LIG 1 5.099 -1.797 0.535 0.00 0.00 +0.041 A ATOM 16 CL LIG 1 6.747 -2.119 0.908 0.00 0.00 -0.084 Cl ATOM 17 C LIG 1 4.377 -0.892 1.311 0.00 0.00 +0.020 A ATOM 18 C LIG 1 3.036 -0.625 1.013 0.00 0.00 +0.013 A ENDBRANCH 11 12 ENDBRANCH 1 11 BRANCH 1 19 ATOM 19 N LIG 1 -1.317 -1.170 0.589 0.00 0.00 -0.330 N ATOM 20 H LIG 1 -1.648 -1.357 1.533 0.00 0.00 +0.147 HD BRANCH 19 21 ATOM 21 C LIG 1 -2.380 -0.806 -0.234 0.00 0.00 +0.028 A ATOM 22 C LIG 1 -2.250 -0.189 -1.480 0.00 0.00 +0.024 A ATOM 23 C LIG 1 -3.367 0.098 -2.277 0.00 0.00 +0.022 A ATOM 24 C LIG 1 -4.638 -0.260 -1.845 0.00 0.00 +0.041 A ATOM 25 CL LIG 1 -6.009 0.090 -2.822 0.00 0.00 -0.084 Cl ATOM 26 C LIG 1 -4.798 -0.914 -0.632 0.00 0.00 +0.022 A ATOM 27 C LIG 1 -3.675 -1.195 0.155 0.00 0.00 +0.024 A ENDBRANCH 19 21 ENDBRANCH 1 19 TORSDOF 5