REMARK  Name = BDB044558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.296   0.415  -0.054  0.00  0.00    +0.106 C 
ATOM      2  S   LIG    1       -0.089   0.028   1.044  0.00  0.00    -0.049 S 
ATOM      3  O   LIG    1        0.155  -1.500   1.638  0.00  0.00    -0.163 OA
ATOM      4  C   LIG    1       -1.333  -0.088  -0.265  0.00  0.00    +0.106 C 
ENDROOT
TORSDOF 0