REMARK  Name = BDB047341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.497  -0.927  -0.804  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -1.189  -2.315  -2.720  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -1.265  -2.020  -1.537  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -2.118  -2.692  -0.734  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -2.545  -3.342  -1.331  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        0.846  -0.989  -1.305  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        1.873  -0.563  -0.513  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        3.143  -0.781  -1.053  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        4.293  -0.393  -0.360  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        4.189   0.232   0.889  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        2.912   0.445   1.429  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        1.762   0.055   0.731  0.00  0.00    +0.046 A 
BRANCH  10  13
ATOM     13  C   LIG    1        5.425   0.634   1.655  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1        5.857  -0.349   2.493  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        5.233   1.733   2.437  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        6.483   0.932   0.851  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  C   LIG    1       -1.114   0.433  -1.153  0.00  0.00    +0.091 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.464   0.667  -0.522  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -2.567   1.027   0.828  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.819   1.227   1.413  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -4.977   1.070   0.654  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.886   0.714  -0.690  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.636   0.514  -1.276  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7