REMARK  Name = BDB054179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.181   1.410   0.375  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        1.173   3.631   0.502  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        0.208   2.905   0.703  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.947   3.380   1.230  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.620   2.669   1.327  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -1.082   0.903   0.841  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -1.711  -0.099   0.155  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1       -3.028  -0.373   0.565  0.00  0.00    +0.096 A 
ATOM      9  C   LIG    1       -3.749  -1.404  -0.065  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -3.173  -2.143  -1.095  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -1.872  -1.865  -1.499  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.142  -0.849  -0.877  0.00  0.00    +0.046 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -3.663   0.406   1.689  0.00  0.00    +0.421 C 
ATOM     14  F   LIG    1       -3.275  -0.038   2.916  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -5.025   0.348   1.685  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -3.356   1.739   1.660  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  C   LIG    1        1.329   0.710   1.121  0.00  0.00    +0.091 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.340   0.091   0.183  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1        3.183   0.905  -0.588  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        4.108   0.335  -1.463  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.204  -1.051  -1.574  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.377  -1.869  -0.806  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        2.451  -1.302   0.070  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7