REMARK  Name = BDB022073
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.735   0.451  -2.379  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.141   0.489  -1.304  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.815   0.091  -1.143  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.072  -0.272  -2.348  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        0.431  -0.205  -2.122  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        0.859  -1.176  -1.011  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -0.216  -1.363   0.075  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -1.185  -0.186   0.151  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.216  -0.821  -0.447  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        2.469   0.587   0.509  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.135   0.188   0.670  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.384  -0.999  -0.020  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        5.694  -1.519  -0.024  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        6.713  -0.844   0.657  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.441   0.338   1.338  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.149   0.874   1.357  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.285  -1.561  -0.648  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1       -3.889   0.996  -0.133  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -5.133   0.431   0.165  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1       -5.871   0.911   1.249  0.00  0.00    +0.060 A 
ATOM     21 CL   LIG    1       -7.391   0.159   1.581  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1       -5.371   1.966   2.025  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1       -6.228   2.605   3.381  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -4.137   2.544   1.706  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -3.397   2.065   0.623  0.00  0.00    +0.014 A 
ENDBRANCH   2  18
TORSDOF 2