REMARK  Name = BDB000825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.752  -2.114   2.312  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.260  -1.454   1.396  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        1.012  -1.737   0.971  0.00  0.00    -0.261 N 
ATOM      4  H   LIG    1        1.447  -2.533   1.415  0.00  0.00    +0.157 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.085  -0.397   0.772  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.344  -0.402  -0.603  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.176   0.575  -1.154  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.762   1.538  -0.331  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -2.525   1.526   1.044  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.694   0.552   1.600  0.00  0.00    +0.013 A 
ENDBRANCH   2   5
BRANCH   3  11
ATOM     11  C   LIG    1        1.816  -0.942   0.207  0.00  0.00    +0.166 A 
ATOM     12  S   LIG    1        3.388  -1.572  -0.034  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        3.765  -0.190  -0.946  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        5.454   0.129  -1.764  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        2.690   0.662  -1.009  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        1.563   0.222  -0.337  0.00  0.00    -0.232 NA
ENDBRANCH   3  11
TORSDOF 2