REMARK  Name = BDB050609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.006  -0.807   0.001  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -2.687   0.493   0.115  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -1.733   1.504   0.351  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.103   2.832   0.502  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -3.461   3.147   0.414  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -4.405   2.139   0.178  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -5.701   2.469   0.100  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.433   0.825   0.378  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1        0.750   1.426   0.574  0.00  0.00    +0.016 C 
ATOM     10  C   LIG    1       -4.034   0.805   0.024  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -0.687  -0.591   0.165  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.044   0.739   0.586  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1        2.756   0.622   1.783  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.995  -0.024   1.805  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        4.540  -0.565   0.630  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        3.827  -0.431  -0.571  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        2.588   0.215  -0.592  0.00  0.00    +0.008 A 
BRANCH  15  18
ATOM     18  C   LIG    1        5.888  -1.243   0.651  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        6.011  -2.217  -0.294  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.165  -1.846   1.841  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        6.910  -0.372   0.426  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH   9  12
BRANCH   1  22
ATOM     22  C   LIG    1       -2.700  -2.107  -0.213  0.00  0.00    +0.156 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -3.083  -1.505  -2.559  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -3.215  -2.290  -1.634  0.00  0.00    +0.309 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -3.869  -3.470  -1.790  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.905  -4.019  -0.984  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5