REMARK  Name = BDB029466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.942   0.189  -1.054  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.811   0.186  -0.578  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.874  -0.729  -0.985  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -4.246  -1.433  -1.610  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.821  -1.160  -0.217  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.400  -2.308  -0.328  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.243  -0.137   0.759  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -1.335   0.839   0.002  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.003   0.260   0.074  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1        1.056   0.870  -0.567  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        0.952   1.932  -1.174  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        0.044  -0.867   0.994  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.271  -0.784   1.761  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -3.416   0.547   1.466  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -4.365   1.186   0.461  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1        2.388   0.230  -0.506  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        3.471   0.986  -0.048  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        4.741   0.399  -0.016  0.00  0.00    +0.127 A 
ATOM     19  C   LIG    1        4.932  -0.922  -0.450  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        3.845  -1.658  -0.926  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        2.574  -1.081  -0.962  0.00  0.00    +0.013 A 
BRANCH  18  22
ATOM     22  N   LIG    1        5.885   1.173   0.478  0.00  0.00    +0.056 N 
ATOM     23  O   LIG    1        7.013   0.675   0.353  0.00  0.00    -0.126 OA
ATOM     24  O   LIG    1        5.655   2.272   1.000  0.00  0.00    -0.126 OA
ENDBRANCH  18  22
ENDBRANCH  10  16
TORSDOF 2