REMARK  Name = BDB047357
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.664  -1.847  -0.378  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -6.160   0.179   0.262  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1       -5.654   0.319  -1.101  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1       -4.377  -0.166  -1.048  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -4.082  -0.834   0.123  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.833  -1.394   0.324  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -1.865  -1.267  -0.682  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1       -2.177  -0.581  -1.868  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -3.450  -0.028  -2.058  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -5.287  -0.872   0.985  0.00  0.00    +0.098 C 
BRANCH   2  12
ATOM     11  C   LIG    1       -8.323  -0.509   1.490  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -7.637  -0.245   0.156  0.00  0.00    +0.057 C 
ENDBRANCH   2  12
BRANCH   2  13
ATOM     13  C   LIG    1       -6.075   1.544   0.968  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1       -5.829   1.740   2.149  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.357   2.594   0.167  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.248   3.378   0.744  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.351  -1.900  -1.379  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.223  -0.652  -1.330  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.369  -0.738  -2.331  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        3.132   0.468  -2.331  0.00  0.00    -0.492 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.192   0.579  -1.477  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        4.966   1.725  -1.661  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        6.080   1.970  -0.855  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        6.434   1.073   0.153  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        5.660  -0.071   0.345  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        4.542  -0.316  -0.467  0.00  0.00    +0.049 A 
BRANCH  24  27
ATOM     27  O   LIG    1        7.542   1.429   0.870  0.00  0.00    -0.483 OA
BRANCH  27  28
ATOM     28  C   LIG    1        7.944   0.555   1.930  0.00  0.00    +0.342 C 
BRANCH  28  29
ATOM     29  C   LIG    1        9.183   1.095   2.626  0.00  0.00    +0.424 C 
ATOM     30  F   LIG    1        8.964   2.309   3.177  0.00  0.00    -0.167 F 
ATOM     31  F   LIG    1        9.557   0.261   3.627  0.00  0.00    -0.167 F 
ATOM     32  F   LIG    1       10.232   1.200   1.781  0.00  0.00    -0.167 F 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12