REMARK  Name = BDB049699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.539   2.508   0.707  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        0.869   1.529   0.406  0.00  0.00    +0.263 A 
ATOM      3  N   LIG    1        1.266   0.258  -0.023  0.00  0.00    -0.246 N 
ATOM      4  S   LIG    1       -0.080  -0.775  -0.317  0.00  0.00    -0.003 S 
ATOM      5  C   LIG    1       -1.187   0.468   0.122  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1       -0.607   1.615   0.480  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.615  -0.183  -0.211  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        2.910  -1.492  -0.639  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        4.229  -1.928  -0.825  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        5.289  -1.064  -0.587  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.029   0.234  -0.164  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.709   0.666   0.021  0.00  0.00    +0.027 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  C   LIG    1       -2.630   0.224   0.094  0.00  0.00    -0.010 A 
ATOM     14  C   LIG    1       -3.417   0.506   1.221  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -4.796   0.282   1.203  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -5.406  -0.224   0.057  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.638  -0.507  -1.071  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.259  -0.284  -1.053  0.00  0.00    +0.009 A 
ENDBRANCH   5  13
TORSDOF 2