REMARK  Name = BDB045532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.527  -0.253  -0.108  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -1.876  -1.070   0.825  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -0.481  -1.126   0.864  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.290  -0.376  -0.026  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.349   0.435  -0.963  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.747   0.493  -1.004  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.046  -0.214  -0.156  0.00  0.00    +0.159 C 
BRANCH   7   8
ATOM      8  O   LIG    1       -4.482   1.116  -0.476  0.00  0.00    -0.372 OA
BRANCH   8  10
ATOM      9  C   LIG    1       -3.896   2.309   1.581  0.00  0.00    +0.034 C 
ATOM     10  C   LIG    1       -4.991   1.857   0.632  0.00  0.00    +0.157 C 
ENDBRANCH   8  10
ENDBRANCH   7   8
BRANCH   7  11
ATOM     11  C   LIG    1       -4.543  -1.154  -1.253  0.00  0.00    +0.156 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -6.024  -1.361  -1.155  0.00  0.00    +0.308 C 
ATOM     13  O   LIG    1       -6.835  -1.212  -2.054  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.423  -1.832   0.042  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1       -7.390  -1.958  -0.072  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  16
ATOM     16  O   LIG    1        1.641  -0.526   0.125  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.478   0.227  -0.749  0.00  0.00    +0.264 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.913  -0.084  -0.399  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        4.582   0.658   0.583  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        5.904   0.360   0.920  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        6.579  -0.697   0.293  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        5.906  -1.443  -0.686  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        4.584  -1.145  -1.023  0.00  0.00    +0.007 A 
BRANCH  21  24
ATOM     24  C   LIG    1        8.014  -1.007   0.642  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1        8.895  -0.316  -0.133  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        8.332  -2.322   0.486  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        8.330  -0.700   1.932  0.00  0.00    -0.166 F 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 10