REMARK  Name = BDB053355
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.843  -2.041   1.025  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.168  -0.888   0.786  0.00  0.00    +0.267 A 
ATOM      3  N   LIG    1        0.509   0.268   1.168  0.00  0.00    -0.272 N 
ATOM      4  S   LIG    1        1.227   1.727   0.617  0.00  0.00    +0.012 S 
ATOM      5  C   LIG    1        2.533   0.805  -0.165  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        3.551   1.370  -0.839  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1        4.446   0.499  -1.364  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        4.360  -0.889  -1.240  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.291  -1.437  -0.533  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1        2.370  -0.557   0.009  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   3  11
ATOM     11  C   LIG    1       -0.768   0.269   1.851  0.00  0.00    +0.168 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -1.936   0.290   0.890  0.00  0.00    -0.027 A 
ATOM     13  C   LIG    1       -2.383  -0.897   0.290  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -3.449  -0.878  -0.612  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.069   0.329  -0.924  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -5.381   0.353  -2.037  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.632   1.518  -0.343  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.567   1.499   0.560  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   3  11
TORSDOF 2