REMARK  Name = BDB054172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.155  -1.106  -0.082  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.036  -3.534  -0.375  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.369  -2.405  -0.708  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.272  -2.210  -1.703  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.502  -1.277  -1.881  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        1.393  -1.426   0.568  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        2.391  -0.497   0.603  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.264   0.864   0.325  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        3.380   1.705   0.414  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        4.618   1.186   0.788  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        5.983   2.226   0.896  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        4.752  -0.168   1.077  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        3.637  -1.004   0.987  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -0.842  -0.607   0.973  0.00  0.00    +0.091 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.063   0.059   0.382  0.00  0.00    -0.043 A 
ATOM     16  C   LIG    1       -3.275  -0.643   0.286  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -4.397  -0.040  -0.284  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -4.311   1.265  -0.752  0.00  0.00    +0.123 A 
ATOM     19  F   LIG    1       -5.387   1.843  -1.300  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -3.122   1.979  -0.661  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -1.998   1.378  -0.094  0.00  0.00    +0.006 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6