REMARK  Name = BDB000587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.755  -2.240   2.125  0.00  0.00    -0.169 OA
ATOM      2  S   LIG    1       -0.839  -1.159   1.799  0.00  0.00    +0.001 S 
ATOM      3  O   LIG    1       -0.413  -0.245   2.844  0.00  0.00    -0.169 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -1.622  -0.202   0.520  0.00  0.00    +0.089 A 
ATOM      5  C   LIG    1       -2.515  -0.826  -0.355  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -3.135  -0.073  -1.353  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.868   1.293  -1.465  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.989   1.914  -0.576  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -1.367   1.170   0.426  0.00  0.00    +0.027 A 
ENDBRANCH   2   4
BRANCH   2  10
ATOM     10  C   LIG    1        0.595  -1.891   1.025  0.00  0.00    +0.207 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.486  -0.847   0.406  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1        2.334  -0.065   1.203  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1        3.151   0.909   0.626  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        3.134   1.107  -0.752  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        2.301   0.332  -1.556  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        1.483  -0.642  -0.982  0.00  0.00    +0.005 A 
ENDBRANCH  10  11
ENDBRANCH   2  10
TORSDOF 3