REMARK  Name = BDB003303
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.476  -2.604   0.152  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1        2.716  -1.652   0.025  0.00  0.00    +0.229 C 
ATOM      3  C   LIG    1        1.350  -1.728  -0.415  0.00  0.00    +0.187 A 
ATOM      4  O   LIG    1        0.769  -2.898  -0.775  0.00  0.00    -0.446 OA
ATOM      5  C   LIG    1       -0.514  -2.603  -1.161  0.00  0.00    +0.220 A 
ATOM      6  C   LIG    1       -0.758  -1.242  -1.005  0.00  0.00    +0.084 A 
ATOM      7  C   LIG    1        0.472  -0.678  -0.555  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        0.903   0.676  -0.292  0.00  0.00    +0.198 C 
ATOM      9  O   LIG    1        0.177   1.646  -0.460  0.00  0.00    -0.286 OA
ATOM     10  C   LIG    1        2.311   0.839   0.189  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1        2.773   2.127   0.492  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.082   2.313   0.941  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.936   1.220   1.091  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        4.487  -0.068   0.792  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.175  -0.265   0.341  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   5  16
ATOM     16  C   LIG    1       -1.371  -3.729  -1.627  0.00  0.00    +0.451 C 
ATOM     17  F   LIG    1       -1.496  -3.756  -2.976  0.00  0.00    -0.163 F 
ATOM     18  F   LIG    1       -2.621  -3.657  -1.101  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1       -0.875  -4.939  -1.257  0.00  0.00    -0.163 F 
ENDBRANCH   5  16
BRANCH   6  20
ATOM     20  C   LIG    1       -2.031  -0.621  -1.331  0.00  0.00    +0.197 C 
ATOM     21  O   LIG    1       -2.634  -0.937  -2.351  0.00  0.00    -0.287 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.637   0.364  -0.397  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -3.461   1.366  -0.926  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.069   2.293  -0.079  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.869   2.215   1.299  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.066   1.207   1.834  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -2.453   0.277   0.990  0.00  0.00    +0.012 A 
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 3