REMARK  Name = BDB000588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.042   0.633   1.917  0.00  0.00    -0.161 OA
ATOM      2  S   LIG    1       -0.011   0.185   0.314  0.00  0.00    -0.035 S 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.296  -1.088   0.074  0.00  0.00    +0.125 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -2.680  -0.496   0.017  0.00  0.00    -0.036 A 
ATOM      5  C   LIG    1       -3.309  -0.044   1.186  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -4.591   0.506   1.135  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -5.257   0.611  -0.083  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -4.642   0.169  -1.253  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.359  -0.380  -1.205  0.00  0.00    +0.004 A 
ENDBRANCH   3   4
ENDBRANCH   2   3
BRANCH   2  10
ATOM     10  C   LIG    1        1.395  -0.957   0.091  0.00  0.00    +0.125 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.716  -0.234   0.052  0.00  0.00    -0.036 A 
ATOM     12  C   LIG    1        3.284   0.275   1.229  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        4.507   0.946   1.194  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.175   1.117  -0.016  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        4.620   0.619  -1.193  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.395  -0.051  -1.161  0.00  0.00    +0.004 A 
ENDBRANCH  10  11
ENDBRANCH   2  10
TORSDOF 4