REMARK  Name = BDB054133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.699  -2.314  -0.176  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.509  -1.109  -0.076  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -0.156  -0.525  -0.043  0.00  0.00    +0.066 A 
ATOM      4  C   LIG    1       -0.058   0.866   0.074  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        1.212   1.444   0.108  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        2.359   0.648   0.027  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.238  -0.738  -0.090  0.00  0.00    +0.014 A 
ATOM      8  I   LIG    1        3.946  -1.916  -0.210  0.00  0.00    -0.044 I 
ATOM      9  N   LIG    1       -1.187   1.698   0.159  0.00  0.00    -0.237 NA
ATOM     10  C   LIG    1       -2.346   1.135   0.125  0.00  0.00    +0.199 A 
ATOM     11  C   LIG    1        0.980  -1.336  -0.126  0.00  0.00    +0.029 A 
ATOM     12  N   LIG    1       -2.542  -0.211   0.013  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -3.474  -0.598  -0.009  0.00  0.00    +0.170 HD
ENDROOT
TORSDOF 0