REMARK  Name = BDB065337
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.256  -2.993  -1.652  0.00  0.00    -0.182 NA
ATOM      2  H   LIG    1        0.390  -2.768  -2.414  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1        0.502  -3.539  -0.261  0.00  0.00    +0.059 S 
ATOM      4  O   LIG    1        1.755  -4.135  -0.663  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1       -0.482  -4.267   0.509  0.00  0.00    -0.153 OA
BRANCH   3   6
ATOM      6  C   LIG    1        0.871  -2.036   0.613  0.00  0.00    +0.106 A 
ATOM      7  C   LIG    1        1.875  -1.195   0.126  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        2.137   0.025   0.765  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1        1.392   0.384   1.915  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1        1.652   1.611   2.545  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        2.630   2.474   2.048  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        3.361   2.122   0.917  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        0.409  -0.492   2.404  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        3.118   0.904   0.280  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        0.147  -1.701   1.759  0.00  0.00    +0.029 A 
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.425  -2.104  -1.534  0.00  0.00    +0.185 C 
BRANCH  16  18
ATOM     17  O   LIG    1        0.022  -0.450  -2.519  0.00  0.00    -0.291 OA
ATOM     18  C   LIG    1       -0.949  -0.681  -1.795  0.00  0.00    +0.181 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.638   0.453  -1.133  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1       -2.972   0.380  -0.740  0.00  0.00    +0.152 A 
ATOM     21  F   LIG    1       -3.690  -0.725  -0.995  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -3.575   1.464  -0.101  0.00  0.00    +0.077 A 
ATOM     23 CL   LIG    1       -5.225   1.382   0.387  0.00  0.00    -0.081 Cl
ATOM     24  C   LIG    1       -2.849   2.631   0.143  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -1.516   2.715  -0.259  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -0.913   1.632  -0.900  0.00  0.00    +0.014 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5