REMARK  Name = BDB000531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.310  -0.308   0.217  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        1.178  -1.395   0.399  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        2.560  -1.222   0.299  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        3.084   0.036   0.015  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        2.229   1.122  -0.172  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.845   0.952  -0.074  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.152  -0.557   0.317  0.00  0.00    +0.228 C 
ATOM      8  O   LIG    1       -1.602  -1.694   0.411  0.00  0.00    -0.284 OA
BRANCH   7  10
ATOM      9  C   LIG    1       -3.369   0.343  -0.575  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1       -2.147   0.585   0.261  0.00  0.00    +0.200 C 
ATOM     11  O   LIG    1       -1.947   1.616   0.891  0.00  0.00    -0.289 OA
ENDBRANCH   7  10
ENDBRANCH   1   7
TORSDOF 2