REMARK  Name = BDB022093
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.177  -2.176  -0.518  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.406  -1.035  -0.124  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.411  -0.165   0.319  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.028  -0.652   0.252  0.00  0.00    +0.118 C 
ATOM      5  C   LIG    1        1.006   0.396   0.691  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1        0.598   1.795   0.211  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.801   2.188   0.707  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -1.642   0.999   1.170  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.411   0.018   0.295  0.00  0.00    +0.084 A 
ATOM     10  S   LIG    1        2.912  -0.042  -1.350  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.492  -0.512  -0.860  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.531  -0.587   0.532  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        5.738  -0.957   1.158  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        6.867  -1.241   0.382  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.805  -1.160  -1.006  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.619  -0.794  -1.651  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.342  -0.281   1.175  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   2  18
ATOM     18  C   LIG    1       -3.809  -0.570  -0.153  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -4.788  -1.334   0.491  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -6.123  -0.927   0.450  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -6.471   0.230  -0.249  0.00  0.00    +0.018 A 
ATOM     22 BR   LIG    1       -8.279   0.781  -0.305  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1       -5.500   0.981  -0.915  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -4.165   0.576  -0.874  0.00  0.00    +0.014 A 
ENDBRANCH   2  18
TORSDOF 2