REMARK  Name = BDB032011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.242   0.087  -0.255  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1       -0.359   0.526  -1.201  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1        0.802  -0.220  -1.144  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1        0.616  -1.111  -0.172  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1       -0.652  -0.956   0.423  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.671   0.223   0.414  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -2.526   0.789  -0.192  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1       -2.632   2.078  -0.752  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.830   2.792  -0.710  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.946   2.231  -0.105  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.868   0.954   0.456  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -4.721  -1.699   1.380  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -3.541  -1.039   0.942  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  N   LIG    1        1.543  -2.056   0.228  0.00  0.00    -0.197 N 
ATOM     15  H   LIG    1        1.343  -2.680   1.002  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1        3.027  -2.307  -0.487  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1        2.872  -2.445  -1.919  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        3.650  -3.364   0.287  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.920  -0.813  -0.134  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1        4.072   0.159  -1.127  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        4.801   1.316  -0.850  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        5.384   1.490   0.406  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.246   0.509   1.389  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.517  -0.650   1.121  0.00  0.00    +0.029 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   4  14
TORSDOF 5