REMARK  Name = BDB002728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  F   LIG    1        5.864   0.688  -0.304  0.00  0.00    -0.205 F 
ATOM      2  C   LIG    1        4.594   0.273  -0.218  0.00  0.00    +0.127 A 
ATOM      3  C   LIG    1        3.568   1.208  -0.350  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        2.244   0.747  -0.256  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.942  -0.597  -0.038  0.00  0.00    +0.116 A 
ATOM      6  N   LIG    1        0.589  -0.888   0.029  0.00  0.00    -0.222 NA
ATOM      7  C   LIG    1       -0.143   0.192  -0.129  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1        3.017  -1.506   0.089  0.00  0.00    +0.152 A 
ATOM      9  F   LIG    1        2.784  -2.810   0.301  0.00  0.00    -0.203 F 
ATOM     10  S   LIG    1        0.779   1.634  -0.374  0.00  0.00    -0.052 S 
ATOM     11  C   LIG    1        4.337  -1.070  -0.001  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   7  12
ATOM     12  N   LIG    1       -1.498   0.172  -0.111  0.00  0.00    -0.310 N 
ATOM     13  C   LIG    1       -2.358   1.340  -0.148  0.00  0.00    +0.107 C 
ATOM     14  C   LIG    1       -3.763   0.742  -0.187  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -3.612  -0.534   0.627  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -2.226  -1.041   0.229  0.00  0.00    +0.107 C 
ENDBRANCH   7  12
TORSDOF 1