REMARK  Name = BDB050231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.339   1.181   0.778  0.00  0.00    +0.165 A 
ATOM      2  S   LIG    1       -0.036   1.345   1.870  0.00  0.00    -0.057 S 
ATOM      3  C   LIG    1        0.514  -0.221   1.431  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -0.338  -0.747   0.479  0.00  0.00    +0.124 A 
ATOM      5  N   LIG    1       -1.399   0.058   0.113  0.00  0.00    -0.233 NA
ENDROOT
BRANCH   1   8
ATOM      6  O   LIG    1       -3.554   3.664  -0.269  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1       -3.206   2.486  -0.130  0.00  0.00    +0.256 C 
ATOM      8  N   LIG    1       -2.149   2.275   0.723  0.00  0.00    -0.260 N 
ATOM      9  H   LIG    1       -1.816   3.105   1.189  0.00  0.00    +0.157 HD
BRANCH   7  10
ATOM     10  C   LIG    1       -3.904   1.384  -0.770  0.00  0.00    +0.074 A 
ATOM     11  S   LIG    1       -4.449   1.582  -2.387  0.00  0.00    -0.092 S 
ATOM     12  C   LIG    1       -5.149   0.023  -2.416  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -5.001  -0.632  -1.215  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -4.295   0.159  -0.261  0.00  0.00    +0.021 A 
ENDBRANCH   7  10
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1        1.734  -0.826   2.048  0.00  0.00    +0.079 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.925  -0.820   1.117  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1        3.721   0.328   0.989  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.810   0.340   0.116  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        5.113  -0.791  -0.639  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.326  -1.935  -0.524  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.236  -1.951   0.347  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 4