REMARK  Name = BDB000818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  F   LIG    1       -2.168   1.274   2.723  0.00  0.00    -0.205 F 
ATOM      2  C   LIG    1       -2.082   0.488   1.642  0.00  0.00    +0.125 A 
ATOM      3  C   LIG    1       -0.872   0.404   0.952  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1       -0.758  -0.410  -0.179  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.905  -1.125  -0.577  0.00  0.00    +0.145 A 
ATOM      6  F   LIG    1       -1.835  -1.918  -1.659  0.00  0.00    -0.204 F 
ATOM      7  C   LIG    1       -3.115  -1.043   0.111  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -3.203  -0.227   1.233  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   4   9
ATOM      9  N   LIG    1        0.416  -0.562  -0.943  0.00  0.00    -0.291 N 
ATOM     10  H   LIG    1        0.300  -1.197  -1.727  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.633   0.003  -0.778  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        2.889  -0.397  -1.908  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        3.953   0.620  -1.072  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        5.770   0.908  -1.560  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        3.331   1.204  -0.001  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        2.005   0.848   0.162  0.00  0.00    -0.232 NA
ENDBRANCH   9  11
ENDBRANCH   4   9
TORSDOF 2