REMARK Name = BDB025323 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.078 0.249 -0.309 0.00 0.00 -0.313 N ATOM 2 C LIG 1 -0.670 -0.990 -0.376 0.00 0.00 +0.145 A ATOM 3 C LIG 1 -2.046 -0.814 -0.299 0.00 0.00 +0.027 A ATOM 4 C LIG 1 -2.851 -1.965 -0.367 0.00 0.00 +0.016 A ATOM 5 C LIG 1 -2.210 -3.196 -0.504 0.00 0.00 +0.060 A ATOM 6 C LIG 1 -0.825 -3.230 -0.560 0.00 0.00 +0.215 A ATOM 7 F LIG 1 -0.237 -4.430 -0.683 0.00 0.00 -0.184 F ATOM 8 C LIG 1 -2.284 0.585 -0.153 0.00 0.00 +0.009 A ATOM 9 C LIG 1 -3.455 1.360 -0.015 0.00 0.00 +0.010 A ATOM 10 C LIG 1 -3.356 2.748 0.123 0.00 0.00 +0.001 A ATOM 11 C LIG 1 -2.112 3.369 0.126 0.00 0.00 +0.002 A ATOM 12 C LIG 1 -0.935 2.626 -0.011 0.00 0.00 +0.026 A ATOM 13 N LIG 1 -0.006 -2.158 -0.494 0.00 0.00 -0.201 NA ATOM 14 C LIG 1 -1.040 1.231 -0.151 0.00 0.00 +0.052 A ENDROOT BRANCH 1 21 ATOM 15 O LIG 1 5.260 -0.937 -0.508 0.00 0.00 -0.275 OA ATOM 16 C LIG 1 4.084 -0.599 -0.411 0.00 0.00 +0.219 C ATOM 17 N LIG 1 3.204 -0.782 -1.446 0.00 0.00 -0.255 N ATOM 18 H LIG 1 3.601 -1.179 -2.287 0.00 0.00 +0.158 HD ATOM 19 C LIG 1 1.986 -0.163 -1.608 0.00 0.00 +0.242 C ATOM 20 O LIG 1 1.501 -0.049 -2.733 0.00 0.00 -0.273 OA ATOM 21 C LIG 1 1.367 0.463 -0.362 0.00 0.00 +0.176 C ATOM 22 C LIG 1 2.051 -0.020 0.920 0.00 0.00 +0.044 C ATOM 23 C LIG 1 3.557 0.139 0.795 0.00 0.00 +0.099 C ENDBRANCH 1 21 TORSDOF 1