REMARK  Name = BDB044621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.288   0.226  -2.827  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        1.712   0.110  -1.753  0.00  0.00    +0.193 A 
ATOM      3  C   LIG    1        2.426  -0.167  -0.502  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1        1.687  -0.283   0.669  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1        2.336  -0.546   1.876  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        3.725  -0.693   1.901  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        4.465  -0.577   0.723  0.00  0.00    +0.001 A 
ATOM      8  O   LIG    1        0.324  -0.149   0.707  0.00  0.00    -0.455 OA
ATOM      9  C   LIG    1       -0.367   0.115  -0.474  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        3.816  -0.313  -0.484  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.248   0.246  -1.661  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.843   0.237  -0.294  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -2.724   0.502  -1.358  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.105   0.610  -1.153  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.639   0.457   0.122  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.792   0.195   1.192  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.412   0.087   0.985  0.00  0.00    +0.011 A 
ENDBRANCH   9  12
TORSDOF 1