REMARK  Name = BDB032009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.926  -1.054  -2.157  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.691  -2.039  -2.213  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        1.847   0.661  -0.756  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.861   1.606  -0.716  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -0.307   1.089  -1.241  0.00  0.00    -0.061 NA
ATOM      6  C   LIG    1       -0.026  -0.165  -1.595  0.00  0.00    +0.181 A 
ATOM      7  C   LIG    1        1.318  -0.482  -1.310  0.00  0.00    +0.098 A 
BRANCH   3   9
ATOM      8  C   LIG    1        4.109   0.129   0.224  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        3.152   1.067  -0.230  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        3.472   2.438  -0.177  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        4.707   2.865   0.308  0.00  0.00    +0.019 A 
ATOM     12 BR   LIG    1        5.109   4.711   0.364  0.00  0.00    -0.050 Br
ATOM     13  C   LIG    1        5.646   1.942   0.748  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        5.348   0.578   0.706  0.00  0.00    +0.047 A 
BRANCH   8  16
ATOM     15  C   LIG    1        4.666  -2.153   0.699  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        3.755  -1.197   0.171  0.00  0.00    -0.494 OA
ENDBRANCH   8  16
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  S   LIG    1       -2.569  -0.761  -2.303  0.00  0.00    +0.081 S 
ATOM     18  O   LIG    1       -2.721   0.387  -3.173  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -3.162  -2.035  -2.671  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.111  -0.402  -0.657  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -3.892   0.721  -0.372  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -4.294   0.979   0.945  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -3.894   0.139   1.983  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.123  -0.986   1.703  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -2.758  -1.274   0.383  0.00  0.00    +0.150 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -4.389   1.526  -1.359  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -3.732   2.796  -1.372  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
BRANCH  25  28
ATOM     28  O   LIG    1       -2.003  -2.395   0.140  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -2.786  -3.581   0.310  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 7