REMARK  Name = BDB059828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.540  -1.884  -3.442  0.00  0.00    -0.150 OA
ATOM      2  S   LIG    1        2.193  -0.693  -2.693  0.00  0.00    +0.077 S 
ATOM      3  O   LIG    1        2.183   0.606  -3.337  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        3.298  -0.617  -1.312  0.00  0.00    +0.152 A 
ATOM      5  C   LIG    1        3.935   0.572  -0.940  0.00  0.00    +0.162 A 
ATOM      6  C   LIG    1        4.809   0.553   0.157  0.00  0.00    +0.085 A 
ATOM      7 CL   LIG    1        5.624   1.984   0.685  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1        5.048  -0.630   0.861  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1        4.415  -1.806   0.468  0.00  0.00    +0.021 A 
ATOM     10 BR   LIG    1        4.738  -3.409   1.416  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        3.544  -1.811  -0.617  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1        3.755   1.766  -1.586  0.00  0.00    -0.503 OA
ATOM     13  H   LIG    1        3.052   1.693  -2.269  0.00  0.00    +0.292 HD
ENDBRANCH   5  12
ENDBRANCH   2   4
BRANCH   2  14
ATOM     14  N   LIG    1        0.705  -0.996  -2.012  0.00  0.00    -0.198 N 
ATOM     15  H   LIG    1        0.277  -1.873  -2.290  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  C   LIG    1        0.075  -0.168  -1.108  0.00  0.00    +0.160 A 
ATOM     17  N   LIG    1        0.622   0.940  -0.620  0.00  0.00    -0.157 NA
ATOM     18  N   LIG    1       -0.309   1.436   0.208  0.00  0.00    -0.279 N 
ATOM     19  H   LIG    1       -0.108   2.308   0.688  0.00  0.00    +0.189 HD
ATOM     20  C   LIG    1       -1.434   0.660   0.292  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -1.205  -0.398  -0.565  0.00  0.00    +0.069 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.590   1.026   1.167  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.019  -0.127   2.090  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -4.348  -0.617   1.531  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1       -4.993   0.655   1.011  0.00  0.00    +0.001 C 
ATOM     26  C   LIG    1       -3.839   1.391   0.345  0.00  0.00    +0.010 C 
ENDBRANCH  20  22
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 5