REMARK  Name = BDB016532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.202   0.412  -0.442  0.00  0.00    +0.185 A 
ATOM      2  C   LIG    1        3.952  -1.087  -0.715  0.00  0.00    +0.291 A 
ATOM      3  O   LIG    1        4.912  -1.758  -1.088  0.00  0.00    -0.264 OA
ATOM      4  N   LIG    1        2.664  -1.559  -0.504  0.00  0.00    -0.307 N 
ATOM      5  C   LIG    1        2.383  -2.960  -0.754  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        1.653  -0.685  -0.020  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1        1.986   0.661   0.230  0.00  0.00    +0.090 A 
ATOM      8  C   LIG    1        1.010   1.538   0.721  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -0.291   1.101   0.962  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1       -0.619  -0.228   0.699  0.00  0.00    +0.107 A 
ATOM     11  C   LIG    1        0.344  -1.125   0.220  0.00  0.00    +0.056 A 
ATOM     12  N   LIG    1        3.263   1.191   0.009  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        5.991   2.088  -0.109  0.00  0.00    +0.127 C 
ATOM     14  N   LIG    1        5.481   0.876  -0.698  0.00  0.00    -0.328 N 
ATOM     15  H   LIG    1        6.160   0.131  -0.847  0.00  0.00    +0.147 HD
ENDBRANCH   1  14
BRANCH  10  16
ATOM     16  S   LIG    1       -2.272  -0.792   1.021  0.00  0.00    +0.059 S 
ATOM     17  O   LIG    1       -2.287  -2.234   0.890  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1       -2.736  -0.132   2.220  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  N   LIG    1       -3.084  -0.197  -0.349  0.00  0.00    -0.184 NA
ATOM     20  H   LIG    1       -3.218  -0.981  -0.990  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.348   0.539  -0.096  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -5.541   0.219  -0.972  0.00  0.00    +0.025 C 
ATOM     23  C   LIG    1       -5.548  -0.178   0.473  0.00  0.00    +0.025 C 
ATOM     24  C   LIG    1       -4.139   1.992   0.253  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH  10  16
TORSDOF 4