REMARK  Name = BDB047372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.013  -1.391   0.763  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -5.598   0.082  -0.378  0.00  0.00    +0.212 C 
ATOM      3  O   LIG    1       -4.630   1.141  -0.702  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -3.406   0.621  -0.386  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -3.462  -0.604   0.244  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.301  -1.257   0.624  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -1.065  -0.657   0.353  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -1.023   0.590  -0.293  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -2.206   1.241  -0.663  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -4.873  -0.999   0.459  0.00  0.00    +0.099 C 
BRANCH   2  12
ATOM     11  C   LIG    1       -7.860  -0.243   0.837  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -6.779   0.745   0.384  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1       -7.430   1.886  -0.410  0.00  0.00    +0.012 C 
ENDBRANCH   2  12
BRANCH   2  14
ATOM     14  C   LIG    1       -6.067  -0.526  -1.715  0.00  0.00    +0.350 C 
ATOM     15  O   LIG    1       -6.737  -1.543  -1.824  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.677   0.196  -2.797  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -5.121   0.953  -2.507  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   2  14
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.323  -0.835   0.635  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.914  -1.179  -0.731  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.280  -0.536  -0.947  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.166  -0.980   0.076  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.434  -0.465   0.097  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        6.243  -0.815   1.190  0.00  0.00    +0.086 A 
ATOM     24 CL   LIG    1        5.646  -1.839   2.452  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        7.559  -0.343   1.301  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        8.086   0.488   0.315  0.00  0.00    +0.132 A 
ATOM     27  C   LIG    1        7.284   0.836  -0.775  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.971   0.365  -0.888  0.00  0.00    +0.051 A 
BRANCH  26  29
ATOM     29  O   LIG    1        9.341   1.024   0.285  0.00  0.00    -0.406 OA
BRANCH  29  30
ATOM     30  C   LIG    1       10.220   0.721   1.357  0.00  0.00    +0.575 C 
ATOM     31  F   LIG    1        9.721   1.162   2.530  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1       11.399   1.343   1.139  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1       10.451  -0.606   1.433  0.00  0.00    -0.133 F 
ENDBRANCH  29  30
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11