REMARK  Name = BDB032660
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.957  -2.257  -1.685  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -1.182  -3.195  -1.362  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        2.006  -0.479  -0.837  0.00  0.00    +0.174 A 
ATOM      4  O   LIG    1        2.209  -1.722  -0.318  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1        1.115  -2.522  -0.601  0.00  0.00    -0.061 NA
ATOM      6  C   LIG    1        0.261  -1.743  -1.272  0.00  0.00    +0.181 A 
ATOM      7  C   LIG    1        0.784  -0.449  -1.462  0.00  0.00    +0.098 A 
BRANCH   3   9
ATOM      8  C   LIG    1        3.374   0.918   0.680  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1        3.077   0.479  -0.624  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1        3.841   0.997  -1.683  0.00  0.00    +0.032 A 
ATOM     11 BR   LIG    1        3.579   0.464  -3.492  0.00  0.00    -0.049 Br
ATOM     12  C   LIG    1        4.859   1.930  -1.442  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        5.123   2.365  -0.144  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        4.375   1.865   0.918  0.00  0.00    +0.046 A 
BRANCH   8  16
ATOM     15  C   LIG    1        3.353  -0.400   2.576  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        2.608   0.483   1.736  0.00  0.00    -0.494 OA
ENDBRANCH   8  16
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  S   LIG    1       -2.305  -1.308  -1.982  0.00  0.00    +0.081 S 
ATOM     18  O   LIG    1       -3.419  -2.209  -2.208  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -1.938  -0.348  -3.002  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.581  -0.515  -0.410  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -2.574   0.881  -0.264  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -2.791   1.424   1.012  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -3.005   0.600   2.119  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.014  -0.781   1.967  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -2.823  -1.340   0.702  0.00  0.00    +0.150 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -2.350   1.647  -1.370  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -2.348   3.062  -1.238  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
BRANCH  25  28
ATOM     28  O   LIG    1       -2.782  -2.706   0.581  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -4.061  -3.293   0.837  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 7