REMARK  Name = BDB062578
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.138  -0.047  -0.010  0.00  0.00    +0.182 A 
ATOM      2  N   LIG    1       -0.651  -1.077   0.329  0.00  0.00    -0.145 NA
ATOM      3  N   LIG    1       -1.892  -0.550   0.248  0.00  0.00    -0.220 N 
ATOM      4  C   LIG    1       -1.798   0.786  -0.139  0.00  0.00    +0.157 A 
ATOM      5  C   LIG    1       -3.005   1.527  -0.283  0.00  0.00    +0.063 A 
ATOM      6  C   LIG    1       -4.191   0.930  -0.046  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -4.258  -0.471   0.359  0.00  0.00    +0.035 A 
ATOM      8 BR   LIG    1       -5.806   1.851  -0.218  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -3.117  -1.169   0.494  0.00  0.00    +0.116 A 
ATOM     10  N   LIG    1       -0.539   1.115  -0.304  0.00  0.00    -0.207 NA
ENDROOT
BRANCH   1  15
ATOM     11 BR   LIG    1        6.283  -0.356  -0.267  0.00  0.00    -0.050 Br
ATOM     12  C   LIG    1        4.397  -0.264  -0.188  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        3.749   0.931  -0.493  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        2.353   0.997  -0.433  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        1.597  -0.127  -0.069  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        2.268  -1.322   0.235  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        3.663  -1.391   0.176  0.00  0.00    +0.016 A 
ENDBRANCH   1  15
TORSDOF 1