REMARK  Name = BDB033829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.016   0.773  -1.824  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1        0.438   0.580  -0.691  0.00  0.00    +0.235 A 
ATOM      3  C   LIG    1        1.751  -0.044  -0.481  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        2.241  -0.153   0.815  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1        3.490  -0.739   1.029  0.00  0.00    +0.202 A 
ATOM      6  C   LIG    1        4.239  -1.211  -0.051  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1        3.749  -1.100  -1.351  0.00  0.00    +0.050 A 
ATOM      8  O   LIG    1        1.550   0.298   1.909  0.00  0.00    -0.443 OA
ATOM      9  C   LIG    1        0.279   0.838   1.732  0.00  0.00    +0.254 A 
ATOM     10  C   LIG    1        2.500  -0.512  -1.568  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -0.320   0.967   0.534  0.00  0.00    +0.222 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -0.355   1.245   3.029  0.00  0.00    +0.454 C 
ATOM     13  F   LIG    1       -0.548   0.164   3.831  0.00  0.00    -0.163 F 
ATOM     14  F   LIG    1       -1.558   1.857   2.912  0.00  0.00    -0.163 F 
ATOM     15  F   LIG    1        0.447   2.098   3.718  0.00  0.00    -0.163 F 
ENDBRANCH   9  12
BRANCH   6  16
ATOM     16  O   LIG    1        5.458  -1.782   0.179  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1        5.858  -2.048  -0.663  0.00  0.00    +0.292 HD
ENDBRANCH   6  16
BRANCH   5  18
ATOM     18  O   LIG    1        3.997  -0.857   2.296  0.00  0.00    -0.501 OA
ATOM     19  H   LIG    1        3.362  -0.461   2.917  0.00  0.00    +0.292 HD
ENDBRANCH   5  18
BRANCH  11  20
ATOM     20  O   LIG    1       -1.584   1.524   0.402  0.00  0.00    -0.448 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.541   0.790  -0.262  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -3.344   1.478  -1.171  0.00  0.00    +0.061 A 
ATOM     23  C   LIG    1       -4.351   0.794  -1.848  0.00  0.00    +0.021 A 
ATOM     24 BR   LIG    1       -5.434   1.715  -3.095  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1       -4.572  -0.562  -1.612  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -3.779  -1.242  -0.685  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -2.766  -0.565  -0.003  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  11  20
TORSDOF 5