REMARK  Name = BDB056543
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.486  -1.436  -1.253  0.00  0.00    +0.172 C 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1        4.478   0.638   1.157  0.00  0.00    +0.069 C 
ATOM      3  C   LIG    1        3.269  -0.104   0.735  0.00  0.00    +0.081 A 
ATOM      4  N   LIG    1        2.612  -0.876   1.610  0.00  0.00    -0.083 NA
ATOM      5  O   LIG    1        1.550  -1.416   0.911  0.00  0.00    -0.359 OA
ATOM      6  C   LIG    1        1.572  -0.962  -0.370  0.00  0.00    +0.146 A 
ATOM      7  C   LIG    1        2.650  -0.127  -0.535  0.00  0.00    +0.071 A 
ENDBRANCH   1   6
BRANCH   1   8
ATOM      8  C   LIG    1       -0.619  -0.399  -1.308  0.00  0.00    +0.221 C 
ATOM      9  N   LIG    1       -1.302  -0.222  -0.122  0.00  0.00    -0.313 N 
ATOM     10  H   LIG    1       -1.057  -0.799   0.674  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.888   0.209  -2.341  0.00  0.00    -0.275 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.445   0.672  -0.009  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -2.582   1.169   1.426  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1       -3.721  -0.033  -0.463  0.00  0.00    +0.027 C 
ENDBRANCH   9  12
ENDBRANCH   1   8
TORSDOF 3