REMARK  Name = BDB025338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.095   0.137  -0.130  0.00  0.00    -0.322 N 
ATOM      2  C   LIG    1       -0.571   1.189   0.585  0.00  0.00    +0.089 A 
ATOM      3  C   LIG    1       -1.910   1.153   0.565  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -2.532   2.190   1.264  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -1.556   3.013   1.816  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.375   0.053  -0.165  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -3.621  -0.507  -0.526  0.00  0.00    +0.028 A 
ATOM      8 BR   LIG    1       -5.269   0.270  -0.003  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1       -3.666  -1.678  -1.293  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1       -2.494  -2.301  -1.706  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.244  -1.776  -1.368  0.00  0.00    +0.026 A 
ATOM     12  S   LIG    1        0.054   2.469   1.452  0.00  0.00    -0.079 S 
ATOM     13  C   LIG    1       -1.192  -0.599  -0.600  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  20
ATOM     14  O   LIG    1        5.362   0.224   0.399  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        4.146   0.119   0.273  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1        3.417   1.066  -0.400  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1        3.955   1.823  -0.801  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1        2.132   0.939  -0.878  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1        1.738   1.684  -1.773  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1        1.311  -0.217  -0.320  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1        1.920  -0.774   0.970  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.389  -1.096   0.751  0.00  0.00    +0.099 C 
ENDBRANCH   1  20
TORSDOF 1