REMARK  Name = BDB022098
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.522   0.854   0.588  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.551  -0.020   0.098  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.855   0.289   0.381  0.00  0.00    +0.118 C 
ATOM      4  C   LIG    1        1.790  -0.320  -0.671  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1        1.618  -1.849  -0.763  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1        0.275  -2.338  -0.217  0.00  0.00    +0.020 C 
ATOM      7  C   LIG    1       -0.848  -1.338  -0.470  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1       -1.264   1.826   1.293  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.220   0.046  -0.385  0.00  0.00    +0.084 A 
ATOM     10  S   LIG    1        4.154   0.884  -1.558  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        5.505   0.879  -0.491  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.146   0.231   0.691  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        6.106   0.109   1.716  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        7.389   0.635   1.534  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        7.725   1.277   0.346  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.791   1.411  -0.686  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.845  -0.242   0.737  0.00  0.00    -0.244 NA
ENDBRANCH   4   9
BRANCH   1  21
ATOM     18  C   LIG    1       -5.154   0.274  -2.828  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -4.699   0.319  -1.399  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1       -3.351   0.535  -1.091  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -2.942   0.610   0.245  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1       -3.877   0.518   1.280  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1       -5.228   0.302   0.986  0.00  0.00    -0.049 A 
ATOM     24  C   LIG    1       -6.242   0.238   2.090  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -5.630   0.216  -0.355  0.00  0.00    +0.006 A 
ENDBRANCH   1  21
TORSDOF 2