REMARK  Name = BDB049479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.706   1.171  -1.784  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.949   0.578  -0.742  0.00  0.00    +0.262 A 
ATOM      3  N   LIG    1       -1.089  -0.026   0.181  0.00  0.00    -0.247 N 
ATOM      4  S   LIG    1       -1.945  -0.736   1.498  0.00  0.00    -0.012 S 
ATOM      5  C   LIG    1       -3.456  -0.241   0.842  0.00  0.00    +0.069 A 
ATOM      6  C   LIG    1       -3.357   0.426  -0.307  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.340  -0.078   0.091  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1        1.119  -0.714   1.077  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        2.516  -0.766   0.992  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        3.172  -0.183  -0.084  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        2.430   0.451  -1.072  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        1.032   0.502  -0.984  0.00  0.00    +0.027 A 
ENDBRANCH   3   7
TORSDOF 1