REMARK  Name = BDB051445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.123   1.097   1.400  0.00  0.00    -0.286 OA
ATOM      2  C   LIG    1        0.275   0.465   0.428  0.00  0.00    +0.200 A 
ATOM      3  C   LIG    1        1.717   0.372   0.135  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        2.136  -0.346  -0.983  0.00  0.00    +0.142 A 
ATOM      5  C   LIG    1        3.494  -0.446  -1.279  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1        4.423   0.175  -0.449  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1        4.017   0.896   0.672  0.00  0.00    +0.046 A 
ATOM      8  O   LIG    1        1.260  -0.974  -1.830  0.00  0.00    -0.462 OA
ATOM      9  C   LIG    1       -0.081  -0.884  -1.545  0.00  0.00    +0.208 A 
ATOM     10  C   LIG    1        2.656   0.996   0.966  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -0.644  -0.244  -0.508  0.00  0.00    +0.064 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -2.110  -0.227  -0.340  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1       -2.855  -1.418  -0.380  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.243  -1.394  -0.225  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -4.891  -0.181  -0.028  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1       -6.221  -0.160   0.120  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1       -4.176   1.008   0.022  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -2.787   0.985  -0.133  0.00  0.00    +0.011 A 
ENDBRANCH  11  12
BRANCH   6  19
ATOM     19  O   LIG    1        5.742   0.053  -0.773  0.00  0.00    -0.507 OA
ATOM     20  H   LIG    1        6.274   0.531  -0.116  0.00  0.00    +0.292 HD
ENDBRANCH   6  19
TORSDOF 2