REMARK  Name = BDB000545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.190  -0.054  -1.510  0.00  0.00    +0.233 C 
ATOM      2  O   LIG    1        0.547   0.677  -2.426  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -5.032   0.627   0.918  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -3.669   0.457   0.315  0.00  0.00    -0.050 A 
ATOM      5  C   LIG    1       -3.257   1.272  -0.746  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.002   1.091  -1.330  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -1.143   0.085  -0.868  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.558  -0.742   0.181  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -2.816  -0.558   0.763  0.00  0.00    +0.004 A 
ENDBRANCH   1   7
BRANCH   1  10
ATOM     10  C   LIG    1        1.164  -1.092  -1.003  0.00  0.00    +0.233 C 
ATOM     11  O   LIG    1        0.875  -2.276  -1.127  0.00  0.00    -0.283 OA
BRANCH  10  12
ATOM     12  C   LIG    1        2.424  -0.661  -0.342  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        2.758   0.689  -0.174  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.950   1.043   0.467  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        4.807   0.051   0.943  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1        6.270   0.491   1.732  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        4.485  -1.295   0.781  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        3.295  -1.651   0.140  0.00  0.00    +0.013 A 
ENDBRANCH  10  12
ENDBRANCH   1  10
TORSDOF 3