REMARK  Name = BDB000539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.151   1.439   1.446  0.00  0.00    -0.283 OA
ATOM      2  C   LIG    1       -0.511   0.791   0.467  0.00  0.00    +0.234 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.891   0.256   0.367  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -2.252  -0.906  -0.327  0.00  0.00    +0.052 A 
ATOM      5 CL   LIG    1       -1.125  -1.963  -1.099  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.597  -1.301  -0.367  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -4.579  -0.554   0.285  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.223   0.590   0.992  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.887   0.991   1.036  0.00  0.00    +0.013 A 
ENDBRANCH   2   3
BRANCH   2  10
ATOM     10  C   LIG    1        0.457   0.660  -0.679  0.00  0.00    +0.234 C 
ATOM     11  O   LIG    1        0.060   0.973  -1.798  0.00  0.00    -0.283 OA
BRANCH  10  12
ATOM     12  C   LIG    1        1.871   0.279  -0.445  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1        2.309  -0.608   0.548  0.00  0.00    +0.052 A 
ATOM     14 CL   LIG    1        1.254  -1.480   1.601  0.00  0.00    -0.083 Cl
ATOM     15  C   LIG    1        3.678  -0.875   0.685  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        4.610  -0.275  -0.164  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.179   0.590  -1.164  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        2.817   0.862  -1.307  0.00  0.00    +0.013 A 
ENDBRANCH  10  12
ENDBRANCH   2  10
TORSDOF 3