REMARK  Name = BDB058081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.725  -0.643   2.096  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -2.672  -1.247   1.212  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.831  -1.377  -0.177  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.873  -2.061  -0.945  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -2.058  -2.333  -2.409  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.680  -2.473  -0.331  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -0.447  -2.245   1.031  0.00  0.00    -0.041 A 
ATOM      8  C   LIG    1       -1.462  -1.653   1.794  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -3.963  -0.888  -0.778  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -3.843   0.461  -1.272  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -4.191   0.421  -2.774  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -4.958   1.285  -0.599  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -2.487   1.213  -1.133  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -1.589   1.261  -1.962  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -2.323   1.834   0.056  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -1.405   2.179   0.028  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1        0.867  -2.635   1.669  0.00  0.00    +0.094 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.656  -1.376   1.814  0.00  0.00    +0.092 A 
ATOM     19  C   LIG    1        2.537  -0.752   0.883  0.00  0.00    +0.026 A 
ATOM     20  C   LIG    1        2.900  -1.181  -0.493  0.00  0.00    +0.082 C 
ATOM     21  C   LIG    1        3.511  -0.052  -1.319  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1        4.801   0.305  -0.808  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1        4.770   1.359   0.074  0.00  0.00    +0.132 A 
ATOM     24  C   LIG    1        3.944   1.427   1.214  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        4.045   2.566   2.034  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        4.954   3.589   1.744  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        5.781   3.482   0.632  0.00  0.00    +0.021 A 
ATOM     28 BR   LIG    1        7.029   4.850   0.252  0.00  0.00    -0.050 Br
ATOM     29  C   LIG    1        5.696   2.371  -0.202  0.00  0.00    +0.061 A 
ATOM     30  C   LIG    1        3.011   0.357   1.554  0.00  0.00    +0.174 A 
ATOM     31  O   LIG    1        2.468   0.381   2.801  0.00  0.00    -0.354 OA
ATOM     32  N   LIG    1        1.623  -0.696   2.970  0.00  0.00    -0.082 NA
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 6