REMARK  Name = BDB000780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.693   0.071   0.473  0.00  0.00    +0.055 A 
ATOM      2  C   LIG    1       -1.829  -0.818  -0.177  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.450  -0.572  -0.224  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.109   0.559   0.379  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.766   1.440   1.038  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.145   1.201   1.089  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  F   LIG    1       -4.926   0.932   0.584  0.00  0.00    -0.166 F 
ATOM      8  C   LIG    1       -4.174  -0.204   0.543  0.00  0.00    +0.417 C 
ATOM      9  F   LIG    1       -4.517  -0.917   1.651  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -4.640  -0.918  -0.520  0.00  0.00    -0.166 F 
ENDBRANCH   1   8
BRANCH   4  11
ATOM     11  N   LIG    1        1.482   0.866   0.372  0.00  0.00    -0.294 N 
ATOM     12  H   LIG    1        1.718   1.726   0.849  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.516   0.188  -0.181  0.00  0.00    +0.163 A 
ATOM     14  S   LIG    1        4.113   0.853  -0.013  0.00  0.00    -0.045 S 
ATOM     15  C   LIG    1        4.741  -0.455  -0.884  0.00  0.00    +0.076 A 
ATOM     16 BR   LIG    1        6.586  -0.689  -1.289  0.00  0.00    -0.041 Br
ATOM     17  C   LIG    1        3.745  -1.318  -1.257  0.00  0.00    +0.136 A 
ATOM     18  N   LIG    1        2.477  -0.945  -0.852  0.00  0.00    -0.232 NA
ENDBRANCH  11  13
ENDBRANCH   4  11
TORSDOF 3