REMARK  Name = BDB065339
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.946   0.803   0.952  0.00  0.00    +0.185 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.066   1.279   3.070  0.00  0.00    -0.291 OA
ATOM      3  C   LIG    1       -0.225   0.904   1.907  0.00  0.00    +0.178 C 
BRANCH   3   4
ATOM      4  C   LIG    1       -1.594   0.566   1.423  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -1.931   0.578   0.066  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -3.232   0.252  -0.336  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -4.223  -0.086   0.601  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -3.871  -0.081   1.960  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -2.574   0.245   2.369  0.00  0.00    +0.012 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -5.589  -0.428   0.172  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -6.322   0.431  -0.664  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -7.619   0.107  -1.072  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -8.206  -1.082  -0.650  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -7.498  -1.948   0.179  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.202  -1.623   0.587  0.00  0.00    +0.008 A 
ENDBRANCH   7  10
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  N   LIG    1        1.208   2.137   0.416  0.00  0.00    -0.182 NA
ATOM     17  H   LIG    1        1.370   2.894   1.082  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  S   LIG    1        1.975   2.295  -1.056  0.00  0.00    +0.059 S 
ATOM     19  O   LIG    1        1.221   1.519  -2.016  0.00  0.00    -0.153 OA
ATOM     20  O   LIG    1        2.234   3.704  -1.244  0.00  0.00    -0.153 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.527   1.485  -0.773  0.00  0.00    +0.106 A 
ATOM     22  C   LIG    1        3.755   0.210  -1.298  0.00  0.00    +0.037 A 
ATOM     23  C   LIG    1        4.980  -0.434  -1.070  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        5.982   0.223  -0.316  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        7.206  -0.427  -0.091  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        7.440  -1.705  -0.601  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.455  -2.349  -1.343  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.737   1.512   0.187  0.00  0.00    +0.010 A 
ATOM     29  C   LIG    1        5.232  -1.718  -1.578  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        4.516   2.146  -0.042  0.00  0.00    +0.029 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6