REMARK  Name = BDB060970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.479   1.114  -1.331  0.00  0.00    +0.016 C 
ATOM      2  C   LIG    1       -0.640   0.498  -0.912  0.00  0.00    -0.014 C 
ATOM      3  C   LIG    1       -0.782  -0.771  -0.177  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.167  -0.956  -0.002  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -2.658  -2.071   0.664  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.742  -2.998   1.152  0.00  0.00    +0.124 A 
ATOM      7  C   LIG    1       -0.366  -2.824   0.987  0.00  0.00    +0.039 A 
ATOM      8  F   LIG    1       -2.190  -4.083   1.798  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1       -2.905   0.166  -0.605  0.00  0.00    -0.025 C 
ATOM     10  C   LIG    1        0.125  -1.700   0.316  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -1.999   1.016  -1.135  0.00  0.00    -0.038 C 
ATOM     12  C   LIG    1       -2.268   2.306  -1.837  0.00  0.00    +0.044 C 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        3.905   0.608   0.156  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        2.587   1.040  -0.023  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        1.857   0.656  -1.153  0.00  0.00    -0.021 A 
ATOM     16  C   LIG    1        2.455  -0.162  -2.115  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        3.769  -0.595  -1.942  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.493  -0.211  -0.809  0.00  0.00    +0.045 A 
BRANCH  13  20
ATOM     19  C   LIG    1        5.843   0.645   1.534  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.500   1.052   1.305  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH   1  15
BRANCH   9  21
ATOM     21  C   LIG    1       -4.396   0.245  -0.598  0.00  0.00    +0.156 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.923   0.727   0.736  0.00  0.00    +0.309 C 
ATOM     23  O   LIG    1       -4.380   1.468   1.538  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -6.175   0.278   0.976  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -6.399   0.674   1.844  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 5