REMARK  Name = BDB000805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.586   0.102   0.235  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -1.378  -0.518   0.604  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1       -0.170  -0.241  -0.058  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -0.199   0.683  -1.108  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.392   1.301  -1.495  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.580   1.011  -0.830  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   8
ATOM      7  F   LIG    1       -4.473  -1.340   0.439  0.00  0.00    -0.166 F 
ATOM      8  C   LIG    1       -3.866  -0.236   0.955  0.00  0.00    +0.417 C 
ATOM      9  F   LIG    1       -4.794   0.761   0.901  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -3.680  -0.497   2.279  0.00  0.00    -0.166 F 
ENDBRANCH   1   8
BRANCH   3  11
ATOM     11  N   LIG    1        0.996  -0.875   0.407  0.00  0.00    -0.294 N 
ATOM     12  H   LIG    1        0.844  -1.849   0.647  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.300  -0.553   0.241  0.00  0.00    +0.163 A 
ATOM     14  S   LIG    1        2.920   1.061   0.115  0.00  0.00    -0.045 S 
ATOM     15  C   LIG    1        4.493   0.446   0.029  0.00  0.00    +0.076 A 
ATOM     16 BR   LIG    1        6.056   1.514  -0.164  0.00  0.00    -0.041 Br
ATOM     17  C   LIG    1        4.489  -0.920   0.129  0.00  0.00    +0.136 A 
ATOM     18  N   LIG    1        3.234  -1.485   0.268  0.00  0.00    -0.232 NA
ENDBRANCH  11  13
ENDBRANCH   3  11
TORSDOF 3