REMARK  Name = BDB046201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.503  -2.861  -0.449  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.743  -1.686  -0.202  0.00  0.00    +0.244 C 
ATOM      3  C   LIG    1        0.340  -0.694   0.044  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.033   0.673   0.180  0.00  0.00    -0.034 A 
ATOM      5  C   LIG    1        1.070   1.592   0.383  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        2.392   1.149   0.472  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        2.681  -0.210   0.345  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        4.475  -0.797   0.463  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -1.393   1.140   0.039  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1       -2.357   0.043   0.478  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        1.665  -1.136   0.128  0.00  0.00    +0.028 A 
ATOM     12  N   LIG    1       -2.036  -1.221  -0.143  0.00  0.00    -0.311 N 
ATOM     13  H   LIG    1       -2.736  -1.952  -0.189  0.00  0.00    +0.149 HD
ENDROOT
TORSDOF 0