REMARK  Name = BDB001981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        1.402   1.975   0.012  0.00  0.00    +0.067 S 
ATOM      2  O   LIG    1        1.819   2.599   1.248  0.00  0.00    -0.152 OA
ATOM      3  O   LIG    1        1.656   2.597  -1.272  0.00  0.00    -0.152 OA
ENDROOT
BRANCH   1   8
ATOM      4  C   LIG    1       -2.724  -1.667  -0.285  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -2.531  -0.312   0.223  0.00  0.00    -0.303 NA
ATOM      6  C   LIG    1       -2.341   0.669  -0.865  0.00  0.00    +0.101 C 
ATOM      7  C   LIG    1       -0.875   1.062  -1.128  0.00  0.00    +0.125 C 
ATOM      8  N   LIG    1       -0.248   1.632   0.094  0.00  0.00    -0.174 NA
ATOM      9  C   LIG    1       -0.811   1.129   1.376  0.00  0.00    +0.125 C 
ATOM     10  C   LIG    1       -1.429  -0.272   1.204  0.00  0.00    +0.101 C 
ENDBRANCH   1   8
BRANCH   1  11
ATOM     11  C   LIG    1        2.294   0.430  -0.091  0.00  0.00    +0.144 A 
ATOM     12  S   LIG    1        2.499  -0.456   1.359  0.00  0.00    -0.062 S 
ATOM     13  C   LIG    1        3.339  -1.685   0.553  0.00  0.00    +0.057 A 
ATOM     14 BR   LIG    1        4.016  -3.239   1.436  0.00  0.00    -0.043 Br
ATOM     15  C   LIG    1        3.486  -1.455  -0.791  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.878  -0.221  -1.166  0.00  0.00    +0.037 A 
ENDBRANCH   1  11
TORSDOF 2