REMARK  Name = BDB054171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.098  -0.546  -0.949  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.190  -1.700  -3.094  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.563  -1.510  -1.945  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.630  -2.178  -1.438  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.873  -1.940  -0.521  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        1.411  -0.268  -1.460  0.00  0.00    -0.474 OA
BRANCH   6   7
ATOM      7  C   LIG    1        2.458  -0.156  -0.592  0.00  0.00    +0.157 A 
ATOM      8  C   LIG    1        2.397   0.110   0.777  0.00  0.00    +0.166 A 
ATOM      9  F   LIG    1        1.224   0.294   1.398  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1        3.556   0.214   1.545  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.797   0.059   0.935  0.00  0.00    +0.044 A 
ATOM     12 CL   LIG    1        6.231   0.187   1.874  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        4.883  -0.193  -0.432  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        3.714  -0.295  -1.192  0.00  0.00    +0.050 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -0.693   0.768  -0.898  0.00  0.00    +0.091 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.013   0.667  -0.171  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -3.219   0.650  -0.886  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -4.429   0.537  -0.208  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1       -5.574   0.519  -0.901  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -4.467   0.438   1.177  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -3.276   0.458   1.899  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -2.055   0.574   1.229  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6