REMARK  Name = BDB032569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.660   1.326   2.352  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.562   2.265   2.721  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.362   0.716   1.647  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.281  -0.486   1.077  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.500  -0.698   0.464  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        2.309   0.383   0.657  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        1.617   1.311   1.403  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        3.642   0.319   0.064  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1        4.069  -0.814  -0.653  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        5.346  -0.869  -1.220  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        6.208   0.218  -1.072  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1        5.805   1.349  -0.365  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        4.529   1.398   0.200  0.00  0.00    +0.012 A 
BRANCH  10  14
ATOM     14  O   LIG    1        5.866  -1.913  -1.935  0.00  0.00    -0.495 OA
ATOM     15  C   LIG    1        5.040  -3.059  -2.098  0.00  0.00    +0.277 C 
ENDBRANCH  10  14
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1       -2.070   0.554   2.826  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -2.856   1.590   3.470  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -1.687  -0.640   3.545  0.00  0.00    -0.150 OA
BRANCH  16  21
ATOM     19  C   LIG    1       -3.560   0.919  -0.922  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1       -2.941   1.170   0.310  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1       -2.888   0.174   1.301  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -3.469  -1.071   1.067  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -4.113  -1.315  -0.150  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -4.150  -0.331  -1.141  0.00  0.00    +0.007 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.857   2.872  -1.814  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -3.627   1.992  -1.979  0.00  0.00    +0.032 C 
ENDBRANCH  19  26
BRANCH  22  27
ATOM     27  O   LIG    1       -3.531  -2.032   2.035  0.00  0.00    -0.493 OA
ATOM     28  C   LIG    1       -2.621  -3.098   1.756  0.00  0.00    +0.277 C 
ENDBRANCH  22  27
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 7