REMARK  Name = BDB062584
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.272   0.377   0.012  0.00  0.00    +0.182 A 
ATOM      2  N   LIG    1        1.351  -0.565   0.269  0.00  0.00    -0.145 NA
ATOM      3  N   LIG    1        0.192   0.038  -0.082  0.00  0.00    -0.219 N 
ATOM      4  C   LIG    1        0.469   1.324  -0.540  0.00  0.00    +0.156 A 
ATOM      5  C   LIG    1       -0.625   2.127  -0.961  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.875   1.628  -0.906  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -2.149   0.272  -0.422  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -1.101  -0.478  -0.025  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1        1.760   1.552  -0.488  0.00  0.00    -0.207 NA
ENDROOT
BRANCH   1  14
ATOM     10 BR   LIG    1        8.313  -0.373   0.943  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        6.458  -0.145   0.658  0.00  0.00    +0.018 A 
ATOM     12  C   LIG    1        5.979   1.059   0.148  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        4.606   1.226  -0.062  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        3.705   0.192   0.235  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        4.207  -1.014   0.748  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        5.579  -1.183   0.960  0.00  0.00    +0.016 A 
ENDBRANCH   1  14
BRANCH   7  17
ATOM     17  C   LIG    1       -3.506  -0.294  -0.343  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1       -3.885  -1.361  -1.167  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -5.176  -1.887  -1.091  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -6.097  -1.350  -0.193  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.729  -0.285   0.628  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -4.439   0.243   0.553  0.00  0.00    +0.008 A 
ENDBRANCH   7  17
TORSDOF 2