REMARK  Name = BDB047257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.004   0.479  -1.896  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -4.615   0.293   2.734  0.00  0.00    +0.068 C 
ATOM      3  C   LIG    1       -5.159   0.265   1.300  0.00  0.00    +0.203 C 
ATOM      4  O   LIG    1       -4.198   0.859   0.411  0.00  0.00    -0.474 OA
ATOM      5  C   LIG    1       -3.207   0.047  -0.070  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1       -3.220  -1.345   0.041  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1       -2.146  -2.077  -0.477  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -1.093  -1.422  -1.117  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.091  -0.032  -1.244  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -4.347  -2.053   0.730  0.00  0.00    +0.043 C 
ATOM     11  C   LIG    1       -2.155   0.700  -0.721  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1       -5.559  -1.142   0.834  0.00  0.00    +0.064 C 
BRANCH   3  13
ATOM     13  C   LIG    1       -6.415   1.150   1.283  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -7.573   0.769   1.380  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.162   2.474   1.197  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -7.048   2.889   1.190  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   3  13
ENDBRANCH   1   9
BRANCH   1  17
ATOM     17  C   LIG    1        0.102   1.896  -1.978  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.414   2.276  -2.668  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.648   1.932  -1.833  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.864   0.524  -1.852  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.877   0.014  -1.087  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        4.003  -1.382  -1.046  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        2.925  -2.413  -1.923  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        5.012  -1.987  -0.289  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        5.917  -1.212   0.438  0.00  0.00    +0.132 A 
ATOM     26  C   LIG    1        5.801   0.177   0.397  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.789   0.785  -0.361  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.849  -1.930   1.131  0.00  0.00    -0.406 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.803  -1.216   1.897  0.00  0.00    +0.575 C 
ATOM     30  F   LIG    1        8.626  -2.100   2.502  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1        8.553  -0.412   1.113  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1        7.203  -0.477   2.855  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 10