REMARK  Name = BDB010740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.383  -2.479  -0.873  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -3.289  -2.004  -0.590  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.104  -0.553  -0.452  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -1.841  -0.074  -0.130  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.599   1.294   0.010  0.00  0.00    +0.064 A 
ATOM      6  N   LIG    1       -0.307   1.724   0.328  0.00  0.00    -0.357 N 
ATOM      7  H   LIG    1       -0.153   2.723   0.426  0.00  0.00    +0.166 HD
ATOM      8  C   LIG    1        0.756   0.860   0.522  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1        2.071   1.574   0.820  0.00  0.00    +0.053 C 
ATOM     10  C   LIG    1        3.411   0.845   0.656  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1        3.469  -0.052  -0.577  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1        2.840  -1.429  -0.357  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1        1.714  -1.478   0.675  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1        0.614  -0.482   0.422  0.00  0.00    -0.001 A 
ATOM     15  C   LIG    1       -2.669   2.181  -0.182  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -3.946   1.707  -0.505  0.00  0.00    +0.018 A 
ATOM     17 BR   LIG    1       -2.424   4.056  -0.011  0.00  0.00    -0.048 Br
ATOM     18  C   LIG    1       -0.744  -1.039   0.065  0.00  0.00    +0.099 A 
ATOM     19  N   LIG    1       -0.926  -2.322  -0.066  0.00  0.00    -0.171 NA
ATOM     20  C   LIG    1       -4.166   0.335  -0.641  0.00  0.00    +0.015 A 
ATOM     21  N   LIG    1       -2.171  -2.776  -0.387  0.00  0.00    -0.242 N 
ATOM     22  H   LIG    1       -2.275  -3.782  -0.477  0.00  0.00    +0.192 HD
ENDROOT
TORSDOF 0