REMARK  Name = BDB000629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.708   0.273  -0.099  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.502   0.176  -0.067  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1        1.681  -1.145  -0.027  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        2.102  -2.278  -0.023  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1        0.278  -0.725   0.003  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.270   0.665  -0.016  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1       -0.923   1.353   0.005  0.00  0.00    +0.145 A 
ATOM      8  C   LIG    1       -2.115   0.628   0.046  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1       -2.094  -0.781   0.065  0.00  0.00    +0.004 A 
ATOM     10  F   LIG    1       -0.945   2.691  -0.013  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1       -0.881  -1.478   0.043  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1        1.562   1.187  -0.056  0.00  0.00    -0.276 N 
ATOM     13  H   LIG    1        1.796   2.170  -0.076  0.00  0.00    +0.155 HD
ENDROOT
TORSDOF 0