REMARK  Name = BDB000775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.479  -1.073   0.160  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1        0.427  -2.082   0.132  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3 BR   LIG    1        6.027  -0.423   0.035  0.00  0.00    -0.041 Br
ATOM      4  C   LIG    1        4.129  -0.291   0.088  0.00  0.00    +0.076 A 
ATOM      5  S   LIG    1        3.079  -1.619   0.077  0.00  0.00    -0.045 S 
ATOM      6  C   LIG    1        1.722  -0.536   0.144  0.00  0.00    +0.163 A 
ATOM      7  N   LIG    1        2.056   0.738   0.172  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1        3.430   0.884   0.141  0.00  0.00    +0.136 A 
ENDBRANCH   1   6
BRANCH   1   9
ATOM      9  C   LIG    1       -0.776  -0.437   0.211  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.956   0.950   0.257  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -2.236   1.516   0.307  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.363   0.700   0.312  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.211  -0.681   0.267  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -1.930  -1.241   0.218  0.00  0.00    +0.023 A 
ENDBRANCH   1   9
TORSDOF 2