REMARK  Name = BDB057389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.987   0.204   0.236  0.00  0.00    +0.157 A 
ATOM      2  C   LIG    1        3.429  -1.066   0.414  0.00  0.00    +0.168 A 
ATOM      3  F   LIG    1        4.195  -2.155   0.244  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1        2.091  -1.241   0.763  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1        1.279  -0.127   0.942  0.00  0.00    +0.123 A 
ATOM      6  C   LIG    1        1.827   1.148   0.763  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        3.172   1.319   0.413  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1   8
ATOM      8  O   LIG    1        5.312   0.224  -0.105  0.00  0.00    -0.478 OA
BRANCH   8   9
ATOM      9  C   LIG    1        5.920   1.504  -0.287  0.00  0.00    +0.349 C 
BRANCH   9  11
ATOM     10  O   LIG    1        8.163   2.207  -0.873  0.00  0.00    -0.247 OA
ATOM     11  C   LIG    1        7.380   1.295  -0.651  0.00  0.00    +0.343 C 
BRANCH  11  12
ATOM     12  O   LIG    1        7.742  -0.010  -0.708  0.00  0.00    -0.478 OA
ATOM     13  H   LIG    1        6.969  -0.581  -0.497  0.00  0.00    +0.295 HD
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   5  14
ATOM     14  O   LIG    1       -0.044  -0.129   1.276  0.00  0.00    -0.492 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -0.689  -1.371   1.566  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.235  -2.027   0.298  0.00  0.00    +0.082 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.276  -1.158  -0.407  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -3.416  -1.033   0.444  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -4.454  -0.267  -0.010  0.00  0.00    +0.122 A 
ATOM     20  C   LIG    1       -4.518   0.382  -1.243  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1       -5.649   1.133  -1.571  0.00  0.00    +0.044 A 
ATOM     22 CL   LIG    1       -5.725   1.934  -3.094  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -6.718   1.242  -0.683  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -6.656   0.594   0.548  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -5.527  -0.157   0.880  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   5  14
TORSDOF 10