REMARK  Name = BDB062569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.139   0.014  -0.016  0.00  0.00    +0.182 A 
ATOM      2  N   LIG    1        0.630   1.087   0.224  0.00  0.00    -0.145 NA
ATOM      3  N   LIG    1        1.884   0.589   0.146  0.00  0.00    -0.219 N 
ATOM      4  C   LIG    1        1.816  -0.774  -0.140  0.00  0.00    +0.156 A 
ATOM      5  C   LIG    1        3.038  -1.489  -0.264  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        4.207  -0.838  -0.104  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.249   0.589   0.194  0.00  0.00    +0.036 A 
ATOM      8 BR   LIG    1        5.909   1.404   0.398  0.00  0.00    -0.049 Br
ATOM      9  C   LIG    1        3.092   1.261   0.311  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        0.563  -1.148  -0.244  0.00  0.00    -0.207 NA
ENDROOT
BRANCH   1  15
ATOM     11 BR   LIG    1       -6.294   0.140  -0.116  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1       -4.405   0.104  -0.084  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -3.695   1.274   0.174  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -2.297   1.246   0.197  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1       -1.600   0.050  -0.038  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -2.333  -1.118  -0.297  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -3.732  -1.093  -0.320  0.00  0.00    +0.016 A 
ENDBRANCH   1  15
TORSDOF 1