REMARK  Name = BDB062585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.457   0.164   0.003  0.00  0.00    +0.182 A 
ATOM      2  N   LIG    1       -0.746  -0.033  -1.117  0.00  0.00    -0.145 NA
ATOM      3  N   LIG    1        0.531  -0.053  -0.669  0.00  0.00    -0.219 N 
ATOM      4  C   LIG    1        0.532   0.134   0.711  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1        1.784   0.147   1.384  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        2.928  -0.020   0.686  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1        2.892  -0.218  -0.788  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        4.147  -0.394  -1.507  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1        5.308  -0.375  -0.827  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.351  -0.182   0.616  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.232  -0.013   1.345  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.698  -0.226  -1.408  0.00  0.00    +0.123 A 
ATOM     13  N   LIG    1       -0.698   0.271   1.146  0.00  0.00    -0.207 NA
ENDROOT
BRANCH   1  18
ATOM     14 BR   LIG    1       -7.599   0.572   0.156  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1       -5.714   0.446   0.106  0.00  0.00    +0.018 A 
ATOM     16  C   LIG    1       -5.066   0.240  -1.110  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -3.671   0.148  -1.145  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -2.915   0.260   0.033  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -3.587   0.467   1.247  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -4.982   0.560   1.286  0.00  0.00    +0.016 A 
ENDBRANCH   1  18
TORSDOF 1