REMARK  Name = BDB000830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.198  -1.021  -0.180  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1        0.097  -2.012  -0.360  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3 BR   LIG    1        5.774  -0.666  -0.058  0.00  0.00    -0.041 Br
ATOM      4  C   LIG    1        3.884  -0.440  -0.037  0.00  0.00    +0.076 A 
ATOM      5  S   LIG    1        2.770  -1.692  -0.274  0.00  0.00    -0.045 S 
ATOM      6  C   LIG    1        1.468  -0.559  -0.084  0.00  0.00    +0.163 A 
ATOM      7  N   LIG    1        1.862   0.677   0.143  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1        3.243   0.752   0.171  0.00  0.00    +0.136 A 
ENDBRANCH   1   6
BRANCH   1   9
ATOM      9  C   LIG    1       -1.019  -0.323  -0.067  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -1.121   1.046   0.178  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -2.377   1.628   0.270  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -3.535   0.950   0.136  0.00  0.00    -0.263 NA
ATOM     13  C   LIG    1       -3.427  -0.371  -0.101  0.00  0.00    +0.112 A 
ATOM     14  C   LIG    1       -2.215  -1.039  -0.208  0.00  0.00    +0.043 A 
ENDBRANCH   1   9
TORSDOF 2