REMARK  Name = BDB062582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.025  -0.591   0.538  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1        3.634  -0.173   0.176  0.00  0.00    -0.032 A 
ATOM      3  C   LIG    1        2.525  -0.722   0.708  0.00  0.00    +0.118 A 
ATOM      4  N   LIG    1        1.264  -0.274   0.315  0.00  0.00    -0.220 N 
ATOM      5  C   LIG    1        1.089   0.740  -0.625  0.00  0.00    +0.156 A 
ATOM      6  N   LIG    1       -0.190   0.964  -0.809  0.00  0.00    -0.207 NA
ATOM      7  C   LIG    1       -0.798   0.066   0.039  0.00  0.00    +0.182 A 
ATOM      8  C   LIG    1        2.253   1.326  -1.192  0.00  0.00    +0.048 A 
ATOM      9  N   LIG    1        0.052  -0.702   0.737  0.00  0.00    -0.145 NA
ATOM     10  C   LIG    1        3.471   0.892  -0.812  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -2.253  -0.025   0.152  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -3.076   0.814  -0.614  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -4.469   0.735  -0.513  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1       -5.046  -0.188   0.357  0.00  0.00    +0.018 A 
ATOM     15 BR   LIG    1       -6.928  -0.297   0.495  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1       -4.246  -1.030   1.125  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -2.854  -0.948   1.022  0.00  0.00    +0.013 A 
ENDBRANCH   7  11
TORSDOF 1