REMARK  Name = BDB047370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.053  -1.187   0.963  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -5.652   0.512   0.099  0.00  0.00    +0.212 C 
ATOM      3  O   LIG    1       -4.659   1.537  -0.240  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -3.442   0.966  -0.003  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -3.513  -0.243   0.656  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.364  -0.945   0.974  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -1.121  -0.408   0.612  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -1.063   0.824  -0.060  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -2.236   1.524  -0.367  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -4.926  -0.549   0.968  0.00  0.00    +0.099 C 
BRANCH   2  12
ATOM     11  C   LIG    1       -7.278  -1.127  -1.125  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -6.202  -0.044  -1.256  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1       -6.730   1.072  -2.173  0.00  0.00    +0.012 C 
ENDBRANCH   2  12
BRANCH   2  14
ATOM     14  C   LIG    1       -6.758   1.211   0.921  0.00  0.00    +0.350 C 
ATOM     15  O   LIG    1       -6.919   2.422   0.988  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.600   0.373   1.579  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -7.431  -0.581   1.481  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   2  14
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.267  -0.664   0.799  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.810  -1.017  -0.584  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.188  -0.413  -0.832  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        4.091  -0.909   0.152  0.00  0.00    -0.490 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.379  -0.443   0.138  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        6.218  -0.865   1.181  0.00  0.00    +0.086 A 
ATOM     24 CL   LIG    1        5.634  -1.917   2.427  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        7.554  -0.447   1.254  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1        8.072   0.402   0.279  0.00  0.00    +0.132 A 
ATOM     27  C   LIG    1        7.239   0.822  -0.763  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.905   0.405  -0.837  0.00  0.00    +0.051 A 
BRANCH  26  29
ATOM     29  O   LIG    1        9.344   0.891   0.215  0.00  0.00    -0.406 OA
BRANCH  29  30
ATOM     30  C   LIG    1       10.254   0.513   1.235  0.00  0.00    +0.575 C 
ATOM     31  F   LIG    1       11.447   1.099   0.990  0.00  0.00    -0.133 F 
ATOM     32  F   LIG    1       10.437  -0.824   1.250  0.00  0.00    -0.133 F 
ATOM     33  F   LIG    1        9.823   0.925   2.446  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