REMARK  Name = BDB053350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.326   1.807  -0.961  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -0.679   0.768  -0.422  0.00  0.00    +0.272 A 
ATOM      3  N   LIG    1        0.094  -0.269   0.125  0.00  0.00    -0.244 N 
ATOM      4  S   LIG    1       -0.877  -1.549   0.786  0.00  0.00    +0.017 S 
ATOM      5  C   LIG    1       -2.370  -0.714   0.338  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -3.601  -1.200   0.582  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1       -4.625  -0.416   0.165  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1       -4.461   0.812  -0.475  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.169   1.280  -0.709  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -2.114   0.487  -0.286  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1        1.526  -0.320   0.163  0.00  0.00    +0.058 A 
ATOM     12  C   LIG    1        2.317   0.712  -0.369  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        3.721   0.662  -0.332  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1        4.591   1.990  -1.018  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1        4.368  -0.430   0.243  0.00  0.00    +0.059 A 
ATOM     16 CL   LIG    1        6.087  -0.562   0.326  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        3.608  -1.466   0.778  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        2.208  -1.410   0.737  0.00  0.00    +0.028 A 
ENDBRANCH   3  11
TORSDOF 1