REMARK  Name = BDB062564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.276  -2.279  -0.843  0.00  0.00    -0.144 OA
ATOM      2  N   LIG    1        0.531  -1.116  -0.436  0.00  0.00    -0.042 N 
ATOM      3  N   LIG    1        1.919  -0.672  -0.233  0.00  0.00    -0.204 N 
ATOM      4  C   LIG    1        1.882   0.651   0.218  0.00  0.00    +0.159 A 
ATOM      5  C   LIG    1        3.128   1.281   0.480  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1        4.278   0.599   0.288  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        4.269  -0.785  -0.186  0.00  0.00    +0.035 A 
ATOM      8 BR   LIG    1        5.944   1.377   0.616  0.00  0.00    -0.050 Br
ATOM      9  N   LIG    1        0.619   1.069   0.315  0.00  0.00    -0.205 NA
ATOM     10  C   LIG    1        3.093  -1.389  -0.435  0.00  0.00    +0.117 A 
ATOM     11  C   LIG    1       -0.204  -0.027  -0.090  0.00  0.00    +0.202 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -1.658   0.068  -0.111  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -2.261   1.275   0.280  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.652   1.424   0.280  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -4.457   0.360  -0.113  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1       -6.337   0.553  -0.116  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1       -3.883  -0.846  -0.505  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -2.490  -0.990  -0.503  0.00  0.00    +0.013 A 
ENDBRANCH  11  12
TORSDOF 1