REMARK  Name = BDB032679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.993  -0.395  -0.147  0.00  0.00    +0.137 A 
ATOM      2  S   LIG    1        1.399   1.069  -0.842  0.00  0.00    -0.029 S 
ATOM      3  C   LIG    1       -0.166   0.425  -0.659  0.00  0.00    +0.201 A 
ATOM      4  N   LIG    1       -0.221  -0.780  -0.148  0.00  0.00    -0.124 NA
ATOM      5  N   LIG    1        1.037  -1.247   0.182  0.00  0.00    -0.139 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        4.429  -0.426  -0.841  0.00  0.00    +0.130 A 
ATOM      7  C   LIG    1        3.420  -0.591   0.131  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1        3.781  -0.989   1.432  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        5.117  -1.191   1.776  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        6.109  -1.004   0.821  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        5.769  -0.627  -0.481  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1        5.013   0.010  -3.120  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        4.020  -0.091  -2.108  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   3  14
ATOM     14  N   LIG    1       -1.357   1.111  -1.123  0.00  0.00    -0.197 N 
ATOM     15  H   LIG    1       -1.147   1.838  -1.806  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.244   1.790   0.133  0.00  0.00    +0.048 S 
ATOM     17  O   LIG    1       -1.568   1.618   1.399  0.00  0.00    -0.155 OA
ATOM     18  O   LIG    1       -2.574   3.119  -0.342  0.00  0.00    -0.155 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -3.745   0.809   0.111  0.00  0.00    +0.156 C 
ATOM     20  C   LIG    1       -4.764   1.371   1.099  0.00  0.00    +0.056 C 
ATOM     21  C   LIG    1       -6.067   0.580   1.035  0.00  0.00    +0.162 C 
ATOM     22  O   LIG    1       -5.890  -0.736   0.509  0.00  0.00    -0.380 OA
ATOM     23  C   LIG    1       -4.705  -1.359   0.992  0.00  0.00    +0.162 C 
ATOM     24  C   LIG    1       -3.481  -0.670   0.402  0.00  0.00    +0.056 C 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   3  14
TORSDOF 5