REMARK  Name = BDB054128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.695   2.332   0.105  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.469   1.134   0.009  0.00  0.00    +0.262 A 
ATOM      3  C   LIG    1       -0.116   0.554   0.044  0.00  0.00    +0.100 A 
ATOM      4  C   LIG    1       -0.009  -0.836  -0.079  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        1.260  -1.423  -0.049  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.406  -0.638   0.100  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        2.287   0.746   0.221  0.00  0.00    +0.039 A 
ATOM      8  N   LIG    1       -1.130  -1.673  -0.231  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -2.290  -1.114  -0.255  0.00  0.00    +0.199 A 
ATOM     10  C   LIG    1        1.026   1.338   0.193  0.00  0.00    +0.138 A 
ATOM     11  F   LIG    1        0.951   2.670   0.312  0.00  0.00    -0.205 F 
ATOM     12  N   LIG    1       -2.492   0.230  -0.143  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -3.425   0.618  -0.169  0.00  0.00    +0.170 HD
ENDROOT
TORSDOF 0