REMARK  Name = BDB000807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.075  -0.312  -0.781  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -0.706  -0.203  -0.494  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        0.045  -1.306  -0.068  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -0.620  -2.538   0.062  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.977  -2.665  -0.238  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -2.701  -1.554  -0.663  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.504   2.364  -0.183  0.00  0.00    +0.090 C 
ATOM      8  S   LIG    1       -3.052   1.077  -1.340  0.00  0.00    -0.129 S 
ENDBRANCH   1   8
BRANCH   3   9
ATOM      9  N   LIG    1        1.411  -1.249   0.271  0.00  0.00    -0.294 N 
ATOM     10  H   LIG    1        1.836  -2.154   0.428  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.231  -0.176   0.368  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        3.909  -0.456   0.717  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        4.187   1.214   0.680  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        5.883   2.027   0.968  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        3.029   1.896   0.419  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        1.914   1.097   0.245  0.00  0.00    -0.232 NA
ENDBRANCH   9  11
ENDBRANCH   3   9
TORSDOF 3