REMARK  Name = BDB000777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.723  -0.879  -0.319  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1        0.865  -1.877  -0.435  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   7
ATOM      3 BR   LIG    1       -5.213   0.569  -0.443  0.00  0.00    -0.050 Br
ATOM      4  C   LIG    1       -3.377   0.129  -0.381  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.871  -0.856  -1.222  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1       -1.511  -1.177  -1.170  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -0.639  -0.526  -0.281  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -1.173   0.465   0.550  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -2.534   0.791   0.506  0.00  0.00    +0.017 A 
ENDBRANCH   1   7
BRANCH   1  10
ATOM     10  C   LIG    1        1.821  -0.217   0.114  0.00  0.00    +0.163 A 
ATOM     11  S   LIG    1        2.003   1.506   0.133  0.00  0.00    -0.045 S 
ATOM     12  C   LIG    1        3.586   1.328   0.705  0.00  0.00    +0.076 A 
ATOM     13 BR   LIG    1        4.751   2.777   1.111  0.00  0.00    -0.041 Br
ATOM     14  C   LIG    1        3.915   0.004   0.825  0.00  0.00    +0.136 A 
ATOM     15  N   LIG    1        2.909  -0.875   0.468  0.00  0.00    -0.232 NA
ENDBRANCH   1  10
TORSDOF 2