REMARK  Name = BDB001655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.168  -2.901  -0.958  0.00  0.00    -0.244 OA
ATOM      2  C   LIG    1        1.864  -1.772  -0.589  0.00  0.00    +0.354 A 
ATOM      3  C   LIG    1        2.768  -0.724  -0.254  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        2.351   0.502   0.148  0.00  0.00    +0.089 A 
ATOM      5  C   LIG    1        3.405   1.396   0.431  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        4.629   0.788   0.225  0.00  0.00    +0.048 A 
ATOM      7  N   LIG    1        1.005   0.815   0.258  0.00  0.00    -0.211 NA
ATOM      8  C   LIG    1        0.204  -0.155  -0.052  0.00  0.00    +0.233 A 
ATOM      9  S   LIG    1        4.458  -0.842  -0.304  0.00  0.00    -0.088 S 
ATOM     10  O   LIG    1        0.550  -1.410  -0.462  0.00  0.00    -0.403 OA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -1.294  -0.044  -0.006  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -1.971   1.129   0.381  0.00  0.00    +0.053 A 
ATOM     13 CL   LIG    1       -1.201   2.605   0.855  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1       -3.376   1.163   0.401  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -4.125   0.045   0.042  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -3.475  -1.120  -0.341  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.078  -1.165  -0.365  0.00  0.00    +0.014 A 
ENDBRANCH   8  11
TORSDOF 1