REMARK  Name = BDB062572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.545   0.207  -0.054  0.00  0.00    +0.182 A 
ATOM      2  N   LIG    1        1.212   0.097  -1.213  0.00  0.00    -0.145 NA
ATOM      3  N   LIG    1        2.505   0.203  -0.835  0.00  0.00    -0.219 N 
ATOM      4  C   LIG    1        2.563   0.374   0.547  0.00  0.00    +0.156 A 
ATOM      5  C   LIG    1        3.845   0.507   1.147  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        4.947   0.464   0.374  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        4.858   0.284  -1.071  0.00  0.00    +0.036 A 
ATOM      8 BR   LIG    1        6.433   0.237  -2.059  0.00  0.00    -0.049 Br
ATOM      9  C   LIG    1        3.644   0.159  -1.634  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        1.352   0.379   1.049  0.00  0.00    -0.207 NA
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -5.217  -0.029   0.404  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1       -3.725   0.059   0.280  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1       -2.927   0.222   1.417  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -1.534   0.274   1.304  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -0.911   0.152   0.054  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -1.714  -0.025  -1.080  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -3.108  -0.077  -0.969  0.00  0.00    +0.004 A 
ENDBRANCH   1  15
TORSDOF 1