REMARK  Name = BDB059308
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.313  -1.386  -2.662  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.135  -1.290  -1.523  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1       -0.664  -0.975  -0.438  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.272  -0.689   0.457  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.574  -1.528  -1.245  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1        2.270  -0.807  -0.261  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        3.634  -1.054  -0.019  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        4.274  -2.034  -0.800  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        3.590  -2.737  -1.795  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.241  -2.480  -2.022  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1        4.428  -0.336   1.003  0.00  0.00    +0.108 A 
ATOM     12  S   LIG    1        3.758   0.928   1.973  0.00  0.00    -0.076 S 
ATOM     13  C   LIG    1        5.260   1.127   2.766  0.00  0.00    +0.067 A 
ATOM     14  C   LIG    1        6.172   0.232   2.257  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1        5.697  -0.597   1.261  0.00  0.00    -0.247 NA
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1       -2.023  -0.342  -0.774  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1       -2.197  -0.411  -1.790  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.126   1.308  -0.322  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1       -1.172   1.513   0.753  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1       -2.083   2.087  -1.538  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -3.761   1.380   0.353  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1       -4.814   1.868  -0.426  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -6.095   1.941   0.122  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -6.316   1.536   1.439  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.259   1.060   2.217  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -3.975   0.984   1.677  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5