REMARK Name = BDB065163 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.179 1.118 -0.141 0.00 0.00 +0.153 C ATOM 2 C LIG 1 0.655 0.142 0.862 0.00 0.00 +0.118 C ATOM 3 C LIG 1 -0.832 0.129 0.416 0.00 0.00 +0.172 C ATOM 4 C LIG 1 -1.340 -1.128 -0.257 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -2.250 -1.764 0.593 0.00 0.00 +0.041 A ATOM 6 C LIG 1 -2.874 -2.947 0.264 0.00 0.00 +0.043 A ATOM 7 C LIG 1 -2.571 -3.498 -0.982 0.00 0.00 +0.043 A ATOM 8 C LIG 1 -1.679 -2.862 -1.863 0.00 0.00 +0.020 A ATOM 9 CL LIG 1 -3.314 -4.978 -1.453 0.00 0.00 -0.083 Cl ATOM 10 N LIG 1 -2.440 -1.009 1.743 0.00 0.00 -0.283 N ATOM 11 H LIG 1 -3.087 -1.222 2.489 0.00 0.00 +0.155 HD ATOM 12 C LIG 1 -1.062 -1.660 -1.506 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -1.693 0.171 1.708 0.00 0.00 +0.248 C ATOM 14 O LIG 1 -1.706 1.021 2.585 0.00 0.00 -0.273 OA ATOM 15 N LIG 1 -0.942 1.331 -0.437 0.00 0.00 -0.204 N ATOM 16 N LIG 1 0.299 1.776 -0.832 0.00 0.00 -0.175 NA ENDROOT BRANCH 2 17 ATOM 17 C LIG 1 1.361 -1.188 1.013 0.00 0.00 +0.001 A ATOM 18 C LIG 1 1.983 -1.848 -0.054 0.00 0.00 +0.145 A ATOM 19 F LIG 1 1.980 -1.274 -1.266 0.00 0.00 -0.204 F ATOM 20 C LIG 1 2.592 -3.092 0.118 0.00 0.00 +0.076 A ATOM 21 CL LIG 1 3.342 -3.891 -1.209 0.00 0.00 -0.081 Cl ATOM 22 C LIG 1 2.591 -3.700 1.371 0.00 0.00 +0.023 A ATOM 23 C LIG 1 1.977 -3.061 2.448 0.00 0.00 +0.002 A ATOM 24 C LIG 1 1.365 -1.817 2.271 0.00 0.00 +0.007 A ENDBRANCH 2 17 BRANCH 15 25 ATOM 25 C LIG 1 -2.071 1.873 -1.050 0.00 0.00 +0.053 A ATOM 26 C LIG 1 -1.935 2.919 -1.988 0.00 0.00 +0.026 A ATOM 27 C LIG 1 -3.034 3.502 -2.632 0.00 0.00 +0.022 A ATOM 28 C LIG 1 -4.312 3.051 -2.346 0.00 0.00 +0.041 A ATOM 29 CL LIG 1 -5.672 3.755 -3.127 0.00 0.00 -0.084 Cl ATOM 30 C LIG 1 -4.493 2.029 -1.423 0.00 0.00 +0.022 A ATOM 31 C LIG 1 -3.383 1.454 -0.784 0.00 0.00 +0.026 A ENDBRANCH 15 25 BRANCH 1 32 ATOM 32 C LIG 1 2.658 1.401 -0.255 0.00 0.00 +0.356 C ATOM 33 O LIG 1 3.237 1.506 -1.318 0.00 0.00 -0.244 OA BRANCH 32 34 ATOM 34 O LIG 1 3.170 1.531 0.987 0.00 0.00 -0.461 OA BRANCH 34 36 ATOM 35 C LIG 1 4.793 3.327 0.963 0.00 0.00 +0.048 C ATOM 36 C LIG 1 4.572 1.828 1.044 0.00 0.00 +0.229 C ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 1 32 TORSDOF 5