REMARK  Name = BDB000827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.917  -0.924  -0.107  0.00  0.00    -0.323 N 
ATOM      2  H   LIG    1        1.979  -1.762   0.462  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   6
ATOM      3 BR   LIG    1        7.193   0.910   0.030  0.00  0.00    -0.041 Br
ATOM      4  C   LIG    1        5.322   0.598  -0.120  0.00  0.00    +0.076 A 
ATOM      5  S   LIG    1        4.567  -0.877   0.235  0.00  0.00    -0.046 S 
ATOM      6  C   LIG    1        3.043  -0.178  -0.184  0.00  0.00    +0.159 A 
ATOM      7  N   LIG    1        3.096   1.081  -0.558  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1        4.404   1.530  -0.527  0.00  0.00    +0.136 A 
ENDBRANCH   1   6
BRANCH   1   9
ATOM      9  C   LIG    1        0.633  -0.237  -0.074  0.00  0.00    +0.108 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -0.507  -1.254  -0.193  0.00  0.00    +0.054 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -1.863  -0.596  -0.139  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1       -2.455  -0.097  -1.307  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.701   0.530  -1.256  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.364   0.667  -0.037  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.781   0.179   1.131  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -2.535  -0.448   1.082  0.00  0.00    +0.004 A 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 4