REMARK  Name = BDB044559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.350   0.369  -0.268  0.00  0.00    +0.193 C 
ATOM      2  S   LIG    1        0.049  -0.333   0.714  0.00  0.00    -0.037 S 
ATOM      3  O   LIG    1       -0.108   0.490   1.898  0.00  0.00    -0.175 OA
ATOM      4  O   LIG    1        0.293  -1.758   0.822  0.00  0.00    -0.175 OA
ATOM      5  C   LIG    1       -1.389  -0.103  -0.302  0.00  0.00    +0.193 C 
ENDROOT
TORSDOF 0