REMARK  Name = BDB006792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.856  -0.257  -0.119  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -0.908   0.462   0.591  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -2.003  -0.975  -0.393  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1       -2.001  -2.069  -0.945  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -3.284  -0.368   0.061  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -4.355  -1.220   0.356  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -5.568  -0.682   0.782  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1       -7.012  -1.831   1.193  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -5.727   0.698   0.908  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.667   1.550   0.598  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.446   1.020   0.171  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1        0.446  -0.830  -0.401  0.00  0.00    +0.106 C 
BRANCH  12  13
ATOM     13  C   LIG    1        1.553   0.212  -0.284  0.00  0.00    +0.034 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.918  -0.405  -0.611  0.00  0.00    +0.085 C 
BRANCH  14  16
ATOM     15  C   LIG    1        4.317   1.061   0.745  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1        4.007   0.587  -0.606  0.00  0.00    -0.308 NA
ATOM     17  C   LIG    1        5.212   0.009  -1.210  0.00  0.00    +0.104 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 5