REMARK  Name = BDB000813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.518   0.493  -0.910  0.00  0.00    -0.291 N 
ATOM      2  H   LIG    1        0.481   1.033  -1.770  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   5
ATOM      3  F   LIG    1       -1.681   1.554  -2.119  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -1.867   0.870  -0.977  0.00  0.00    +0.144 A 
ATOM      5  C   LIG    1       -0.751   0.310  -0.328  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -0.990  -0.393   0.856  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.289  -0.528   1.367  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.374   0.039   0.700  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -3.162   0.743  -0.480  0.00  0.00    +0.040 A 
ENDBRANCH   1   5
BRANCH   1  10
ATOM     10  C   LIG    1        1.732   0.066  -0.497  0.00  0.00    +0.163 A 
ATOM     11  S   LIG    1        3.119   0.470  -1.461  0.00  0.00    -0.045 S 
ATOM     12  C   LIG    1        4.111  -0.352  -0.363  0.00  0.00    +0.076 A 
ATOM     13 BR   LIG    1        6.000  -0.512  -0.533  0.00  0.00    -0.041 Br
ATOM     14  C   LIG    1        3.372  -0.884   0.660  0.00  0.00    +0.136 A 
ATOM     15  N   LIG    1        2.013  -0.642   0.578  0.00  0.00    -0.232 NA
ENDBRANCH   1  10
TORSDOF 2