REMARK  Name = BDB000544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.258   0.972   1.021  0.00  0.00    +0.233 C 
ATOM      2  O   LIG    1        0.215   2.087   1.205  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.644   0.785   0.515  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -2.191  -0.483   0.280  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -3.496  -0.603  -0.210  0.00  0.00    +0.021 A 
ATOM      6  C   LIG    1       -4.254   0.539  -0.466  0.00  0.00    +0.041 A 
ATOM      7 CL   LIG    1       -5.856   0.384  -1.070  0.00  0.00    -0.084 Cl
ATOM      8  C   LIG    1       -3.719   1.804  -0.235  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1       -2.416   1.928   0.255  0.00  0.00    +0.013 A 
ENDBRANCH   1   3
BRANCH   1  11
ATOM     10  O   LIG    1        0.272  -1.008   2.176  0.00  0.00    -0.283 OA
ATOM     11  C   LIG    1        0.612  -0.234   1.289  0.00  0.00    +0.233 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.819  -0.476   0.456  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        2.208   0.397  -0.568  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.342   0.115  -1.334  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.089  -1.036  -1.085  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.707  -1.908  -0.067  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.576  -1.630   0.702  0.00  0.00    +0.012 A 
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 3