REMARK  Name = BDB000829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.266  -0.920  -0.400  0.00  0.00    -0.293 N 
ATOM      2  H   LIG    1        0.131  -1.837  -0.805  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3 BR   LIG    1        5.848  -0.715  -0.242  0.00  0.00    -0.041 Br
ATOM      4  C   LIG    1        3.963  -0.465  -0.155  0.00  0.00    +0.076 A 
ATOM      5  S   LIG    1        2.823  -1.605  -0.670  0.00  0.00    -0.045 S 
ATOM      6  C   LIG    1        1.546  -0.524  -0.210  0.00  0.00    +0.163 A 
ATOM      7  N   LIG    1        1.964   0.617   0.297  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1        3.346   0.657   0.331  0.00  0.00    +0.136 A 
ENDBRANCH   1   6
BRANCH   1   9
ATOM      9  C   LIG    1       -0.923  -0.230  -0.110  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -1.004   1.046   0.450  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1       -2.162   1.704   0.726  0.00  0.00    -0.261 NA
ATOM     12  C   LIG    1       -3.310   1.065   0.430  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -3.355  -0.199  -0.126  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -2.149  -0.846  -0.397  0.00  0.00    +0.026 A 
ENDBRANCH   1   9
TORSDOF 2