REMARK  Name = BDB000817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  F   LIG    1       -4.653  -0.154  -0.840  0.00  0.00    -0.205 F 
ATOM      2  C   LIG    1       -3.399  -0.155  -0.370  0.00  0.00    +0.126 A 
ATOM      3  C   LIG    1       -3.078  -0.945   0.720  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -1.770  -0.928   1.191  0.00  0.00    +0.147 A 
ATOM      5  F   LIG    1       -1.462  -1.694   2.250  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1       -0.761  -0.138   0.602  0.00  0.00    +0.069 A 
ATOM      7  C   LIG    1       -1.124   0.649  -0.497  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1       -2.438   0.642  -0.981  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   6   9
ATOM      9  N   LIG    1        0.540  -0.229   1.130  0.00  0.00    -0.291 N 
ATOM     10  H   LIG    1        0.551  -0.563   2.091  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        1.764   0.049   0.626  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        2.154   0.258  -1.048  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        3.782   0.474  -0.644  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        5.166   0.820  -1.903  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        3.966   0.357   0.707  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        2.813   0.100   1.425  0.00  0.00    -0.232 NA
ENDBRANCH   9  11
ENDBRANCH   6   9
TORSDOF 2