REMARK  Name = BDB064439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.691  -0.017   0.737  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1       -0.704   0.060   1.730  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        0.653   0.056   1.391  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        1.067  -0.025   0.053  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        0.077  -0.104  -0.937  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.282  -0.105  -0.602  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.496  -0.033  -0.300  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        3.373  -0.974   0.261  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        4.731  -0.985  -0.073  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        5.251  -0.047  -0.975  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        4.380   0.890  -1.547  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        3.022   0.897  -1.211  0.00  0.00    +0.009 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.711  -0.071  -1.355  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        7.516  -0.543  -0.362  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        7.201   1.161  -1.672  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        6.952  -0.859  -2.438  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -3.161  -0.036   1.127  0.00  0.00    +0.104 C 
BRANCH  17  20
ATOM     18  C   LIG    1       -5.347   2.772  -1.002  0.00  0.00    +0.106 C 
ATOM     19  C   LIG    1       -4.583   1.776  -0.250  0.00  0.00    -0.105 C 
ATOM     20  C   LIG    1       -3.945   0.964   0.364  0.00  0.00    -0.094 C 
ENDBRANCH  17  20
BRANCH  17  21
ATOM     21  C   LIG    1       -3.784  -1.426   0.959  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.392  -2.318   2.105  0.00  0.00    +0.306 C 
ATOM     23  O   LIG    1       -2.456  -3.101   2.082  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -4.178  -2.167   3.197  0.00  0.00    -0.481 OA
ATOM     25  H   LIG    1       -4.914  -1.536   3.088  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 7