REMARK  Name = BDB062577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.117  -0.004  -0.022  0.00  0.00    +0.182 A 
ATOM      2  N   LIG    1       -0.582   1.139  -0.021  0.00  0.00    -0.144 NA
ATOM      3  N   LIG    1       -1.873   0.719   0.069  0.00  0.00    -0.206 N 
ATOM      4  C   LIG    1       -1.878  -0.679   0.117  0.00  0.00    +0.158 A 
ATOM      5  C   LIG    1       -3.130  -1.345   0.212  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -4.266  -0.626   0.254  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -4.243   0.827   0.203  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -3.063   1.472   0.112  0.00  0.00    +0.110 A 
ATOM      9 BR   LIG    1       -2.973   3.337   0.043  0.00  0.00    -0.029 Br
ATOM     10  N   LIG    1       -0.651  -1.140   0.061  0.00  0.00    -0.207 NA
ENDROOT
BRANCH   1  15
ATOM     11 BR   LIG    1        6.259  -0.271  -0.370  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        4.374  -0.186  -0.264  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        3.735   1.052  -0.269  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        2.340   1.113  -0.190  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        1.575  -0.061  -0.105  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        2.237  -1.298  -0.102  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        3.632  -1.363  -0.180  0.00  0.00    +0.016 A 
ENDBRANCH   1  15
TORSDOF 1