REMARK  Name = BDB056056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.694   1.101  -2.864  0.00  0.00    +0.278 A 
ATOM      2  O   LIG    1        1.675   1.474  -1.984  0.00  0.00    -0.411 OA
ATOM      3  C   LIG    1        2.282   0.278  -1.708  0.00  0.00    +0.249 A 
ATOM      4  N   LIG    1        1.736  -0.728  -2.363  0.00  0.00    -0.106 NA
ATOM      5  N   LIG    1        0.714  -0.192  -3.117  0.00  0.00    -0.101 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.397   0.291  -0.770  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1        4.057  -0.908  -0.461  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        5.122  -0.920   0.440  0.00  0.00    +0.163 A 
ATOM      9  O   LIG    1        5.694  -2.140   0.700  0.00  0.00    -0.485 OA
ATOM     10  C   LIG    1        6.522  -2.090   1.868  0.00  0.00    +0.270 C 
ATOM     11  C   LIG    1        7.412  -0.858   1.842  0.00  0.00    +0.270 C 
ATOM     12  O   LIG    1        6.623   0.337   1.889  0.00  0.00    -0.485 OA
ATOM     13  C   LIG    1        5.563   0.270   1.023  0.00  0.00    +0.162 A 
ATOM     14  C   LIG    1        4.911   1.466   0.738  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1        3.834   1.477  -0.155  0.00  0.00    +0.017 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     16  S   LIG    1       -0.409   2.239  -3.568  0.00  0.00    -0.061 S 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.854   1.177  -3.850  0.00  0.00    +0.114 C 
BRANCH  17  21
ATOM     18  C   LIG    1       -4.059   0.387  -0.189  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -3.179  -0.566  -0.725  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -2.472  -0.316  -1.905  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -2.627   0.898  -2.585  0.00  0.00    -0.037 A 
ATOM     22  C   LIG    1       -3.502   1.856  -2.056  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.207   1.602  -0.875  0.00  0.00    +0.009 A 
BRANCH  18  27
ATOM     24  C   LIG    1       -6.222  -0.387   3.437  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.450   0.765   3.317  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.746   1.017   2.136  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -4.801   0.121   1.055  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1       -5.585  -1.035   1.197  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -6.291  -1.288   2.377  0.00  0.00    +0.001 A 
ENDBRANCH  18  27
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5