REMARK  Name = BDB047355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.157  -1.743   0.940  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -5.500   0.577  -0.362  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1       -5.389  -0.071   0.946  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -4.104  -0.534   0.999  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -3.293  -0.050  -0.011  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.956  -0.408  -0.094  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -1.444  -1.286   0.866  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.283  -1.768   1.889  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.625  -1.390   1.965  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -4.070   0.891  -0.854  0.00  0.00    +0.098 C 
BRANCH   2  12
ATOM     11  C   LIG    1       -6.520   2.745  -1.352  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -6.360   1.836  -0.142  0.00  0.00    +0.057 C 
ENDBRANCH   2  12
BRANCH   2  13
ATOM     13  C   LIG    1       -6.238  -0.404  -1.290  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -6.919  -1.364  -0.963  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.123  -0.107  -2.604  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.650  -0.811  -3.039  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.775  -1.368  -0.074  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.450  -0.035   0.256  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.268  -0.102   1.546  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.344  -1.032   1.429  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.551  -0.627   0.930  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        5.580  -1.581   0.921  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        5.327  -3.186   1.514  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        6.849  -1.261   0.427  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        7.117   0.015  -0.071  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1        6.099   0.966  -0.069  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.825   0.647   0.427  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        8.394   0.191  -0.521  0.00  0.00    -0.406 OA
BRANCH  28  29
ATOM     29  C   LIG    1        8.746   1.461  -1.043  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1        8.610   2.425  -0.108  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1        7.991   1.768  -2.120  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1       10.039   1.429  -1.431  0.00  0.00    -0.133 F 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11