REMARK  Name = BDB052553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.088  -2.772  -0.209  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.146  -1.551  -0.123  0.00  0.00    +0.256 A 
ATOM      3  C   LIG    1        0.077  -0.707  -0.049  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1       -0.049   0.693   0.049  0.00  0.00    +0.003 A 
ATOM      5  C   LIG    1        1.130   1.455   0.116  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        2.387   0.832   0.086  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.488  -0.555  -0.012  0.00  0.00    +0.002 A 
ATOM      8 BR   LIG    1        1.127   3.353   0.251  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -1.404   1.270   0.075  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -2.476   0.473   0.006  0.00  0.00    +0.086 A 
ATOM     11  C   LIG    1        1.333  -1.327  -0.080  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1       -2.350  -0.884  -0.089  0.00  0.00    -0.329 N 
ATOM     13  H   LIG    1       -3.175  -1.471  -0.140  0.00  0.00    +0.168 HD
ENDROOT
TORSDOF 0