REMARK  Name = BDB000779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.288  -1.118  -0.042  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1        1.358  -2.076   0.283  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -4.168   0.665  -0.134  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.742   0.205  -0.069  0.00  0.00    -0.050 A 
ATOM      5  C   LIG    1       -1.729   1.083   0.325  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.392   0.664   0.353  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -0.034  -0.637  -0.011  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1       -1.058  -1.504  -0.423  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -2.395  -1.091  -0.456  0.00  0.00    +0.005 A 
ENDBRANCH   1   7
BRANCH   1  10
ATOM     10  C   LIG    1        2.469  -0.456  -0.057  0.00  0.00    +0.163 A 
ATOM     11  S   LIG    1        2.742   1.077  -0.818  0.00  0.00    -0.045 S 
ATOM     12  C   LIG    1        4.376   0.995  -0.388  0.00  0.00    +0.076 A 
ATOM     13 BR   LIG    1        5.660   2.343  -0.781  0.00  0.00    -0.041 Br
ATOM     14  C   LIG    1        4.649  -0.175   0.269  0.00  0.00    +0.136 A 
ATOM     15  N   LIG    1        3.559  -1.010   0.439  0.00  0.00    -0.232 NA
ENDBRANCH   1  10
TORSDOF 2