REMARK  Name = BDB000804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.128  -1.246   0.225  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1        1.301  -2.047   0.824  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -2.664   2.006  -0.028  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.136   0.602  -0.052  0.00  0.00    -0.049 A 
ATOM      5  C   LIG    1       -0.759   0.361   0.099  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -0.242  -0.940   0.121  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1       -1.145  -2.007  -0.013  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.516  -1.783  -0.151  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -3.011  -0.482  -0.166  0.00  0.00    +0.003 A 
ENDBRANCH   1   6
BRANCH   1  10
ATOM     10  C   LIG    1        2.221  -0.480   0.003  0.00  0.00    +0.163 A 
ATOM     11  S   LIG    1        2.330   0.777  -1.185  0.00  0.00    -0.045 S 
ATOM     12  C   LIG    1        3.949   1.030  -0.764  0.00  0.00    +0.076 A 
ATOM     13 BR   LIG    1        5.073   2.346  -1.554  0.00  0.00    -0.041 Br
ATOM     14  C   LIG    1        4.341   0.152   0.211  0.00  0.00    +0.136 A 
ATOM     15  N   LIG    1        3.356  -0.721   0.633  0.00  0.00    -0.232 NA
ENDBRANCH   1  10
TORSDOF 2