REMARK  Name = BDB000824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.710  -0.050   0.150  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1        1.881  -1.208  -0.318  0.00  0.00    -0.045 S 
ATOM      3  C   LIG    1        3.094  -0.070   0.025  0.00  0.00    +0.076 A 
ATOM      4 BR   LIG    1        4.958  -0.394  -0.181  0.00  0.00    -0.041 Br
ATOM      5  C   LIG    1        2.547   1.108   0.469  0.00  0.00    +0.136 A 
ATOM      6  N   LIG    1        1.165   1.114   0.539  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.970  -0.439   0.202  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -1.659   0.283   0.392  0.00  0.00    +0.216 C 
ATOM      9  N   LIG    1       -0.578  -0.497   0.054  0.00  0.00    -0.265 N 
ATOM     10  H   LIG    1       -0.703  -1.443  -0.274  0.00  0.00    +0.157 HD
ATOM     11  O   LIG    1       -1.642   1.429   0.827  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
TORSDOF 1