REMARK  Name = BDB000632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.274   2.895  -1.242  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.719   1.899  -0.836  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1        2.399   0.566  -0.426  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        3.578   0.301  -0.443  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1        1.300  -0.311  -0.012  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        1.343  -1.612   0.447  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.125  -2.207   0.773  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.083  -1.493   0.632  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -1.110  -0.162   0.162  0.00  0.00    +0.077 A 
ATOM     10  C   LIG    1        0.111   0.408  -0.156  0.00  0.00    +0.056 A 
ATOM     11  N   LIG    1        0.368   1.694  -0.636  0.00  0.00    -0.278 N 
ATOM     12  H   LIG    1       -0.323   2.410  -0.826  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -2.420   0.559   0.029  0.00  0.00    +0.419 C 
ATOM     14  F   LIG    1       -3.081   0.656   1.214  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -3.273  -0.069  -0.826  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -2.299   1.835  -0.436  0.00  0.00    -0.166 F 
ENDBRANCH   9  13
TORSDOF 1