REMARK  Name = BDB059876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.762  -1.102   0.074  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1       -0.299  -1.190  -1.560  0.00  0.00    -0.046 S 
ATOM      3  C   LIG    1        1.346  -1.090  -1.100  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        1.426  -1.009   0.275  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1        0.214  -1.007   0.946  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.195  -1.240  -0.286  0.00  0.00    +0.222 C 
ATOM      7  N   LIG    1       -2.067  -1.111   0.494  0.00  0.00    -0.264 N 
ATOM      8  H   LIG    1       -2.150  -1.043   1.498  0.00  0.00    +0.157 HD
ATOM      9  O   LIG    1       -3.234  -1.382  -1.503  0.00  0.00    -0.275 OA
BRANCH   6  14
ATOM     10  C   LIG    1       -7.916   1.322  -0.431  0.00  0.00    +0.239 C 
ATOM     11  N   LIG    1       -6.872   0.508  -0.023  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1       -6.122   0.672   1.223  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -4.656   0.281   1.065  0.00  0.00    +0.032 C 
ATOM     14  C   LIG    1       -4.478  -1.159   0.551  0.00  0.00    +0.078 C 
ATOM     15  C   LIG    1       -5.700  -1.651  -0.241  0.00  0.00    +0.032 C 
ATOM     16  C   LIG    1       -6.396  -0.505  -0.965  0.00  0.00    +0.109 C 
ATOM     17  O   LIG    1       -8.380   1.317  -1.569  0.00  0.00    -0.271 OA
BRANCH  10  19
ATOM     18  C   LIG    1       -9.021   1.867   1.715  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -8.493   2.271   0.552  0.00  0.00    +0.060 C 
ENDBRANCH  10  19
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  20
ATOM     20  S   LIG    1        2.652  -1.133  -2.266  0.00  0.00    -0.107 S 
BRANCH  20  21
ATOM     21  C   LIG    1        3.347   0.539  -2.073  0.00  0.00    +0.170 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.332   0.605  -0.963  0.00  0.00    +0.206 A 
ATOM     23  O   LIG    1        5.613   0.215  -1.251  0.00  0.00    -0.443 OA
ATOM     24  C   LIG    1        6.288   0.358  -0.067  0.00  0.00    +0.131 A 
ATOM     25  C   LIG    1        5.388   0.841   0.858  0.00  0.00    +0.156 A 
ATOM     26  N   LIG    1        4.152   0.996   0.284  0.00  0.00    -0.221 NA
BRANCH  24  27
ATOM     27  C   LIG    1        7.744  -0.008  -0.054  0.00  0.00    +0.022 C 
ATOM     28  C   LIG    1        8.535   1.008  -0.898  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        8.298   0.005   1.383  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1        7.938  -1.419  -0.639  0.00  0.00    +0.019 C 
ENDBRANCH  24  27
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7