REMARK  Name = BDB000808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.201   1.233  -0.068  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1       -0.886   0.755  -0.162  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -0.618  -0.619  -0.200  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -1.709  -1.502  -0.130  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -3.022  -1.034  -0.035  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -3.269   0.335  -0.004  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -2.652   3.787  -0.025  0.00  0.00    -0.191 NA
ATOM      8  C   LIG    1       -2.450   2.645  -0.043  0.00  0.00    +0.099 C 
ENDBRANCH   1   8
BRANCH   3   9
ATOM      9  N   LIG    1        0.674  -1.172  -0.250  0.00  0.00    -0.294 N 
ATOM     10  H   LIG    1        0.727  -2.003  -0.831  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.882  -0.640   0.052  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        2.164   0.578   1.252  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        3.825   0.494   0.940  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        5.138   1.561   1.812  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        4.095  -0.451  -0.013  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        2.982  -1.109  -0.504  0.00  0.00    -0.232 NA
ENDBRANCH   9  11
ENDBRANCH   3   9
TORSDOF 3