REMARK  Name = BDB059564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.157   1.431  -1.480  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1       -0.907   2.843  -1.271  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -2.109   0.996  -2.480  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -1.678  -0.674   0.238  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -1.654   0.719   0.071  0.00  0.00    +0.151 A 
ATOM      6  C   LIG    1       -1.999   1.585   1.118  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1       -2.375   1.052   2.345  0.00  0.00    +0.020 A 
ATOM      8 BR   LIG    1       -2.838   2.203   3.769  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -2.411  -0.328   2.531  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1       -2.066  -1.187   1.481  0.00  0.00    +0.049 A 
BRANCH   4  12
ATOM     11  C   LIG    1       -1.155  -2.843  -0.617  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -1.319  -1.445  -0.834  0.00  0.00    -0.493 OA
ENDBRANCH   4  12
ENDBRANCH   1   5
BRANCH   1  13
ATOM     13  N   LIG    1        0.315   0.662  -1.833  0.00  0.00    -0.213 N 
ATOM     14  H   LIG    1        0.060  -0.278  -2.150  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.389   0.663  -0.875  0.00  0.00    +0.089 A 
ATOM     16  C   LIG    1        2.245  -0.449  -0.867  0.00  0.00    +0.139 A 
ATOM     17  C   LIG    1        3.299  -0.553   0.034  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        3.557   0.503   0.904  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.772   1.655   0.848  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        1.703   1.743  -0.051  0.00  0.00    +0.028 A 
BRANCH  16  21
ATOM     21  O   LIG    1        2.079  -1.465  -1.771  0.00  0.00    -0.505 OA
ATOM     22  H   LIG    1        1.908  -1.025  -2.625  0.00  0.00    +0.292 HD
ENDBRANCH  16  21
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 5