REMARK  Name = BDB054176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.121   0.168  -0.402  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.050  -1.543  -2.167  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        0.185  -1.202  -1.002  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1        0.649  -2.081  -0.088  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        0.827  -2.894  -0.606  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -1.385   0.664  -0.855  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -2.529   0.129  -0.334  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1       -2.612  -0.824   0.680  0.00  0.00    +0.085 A 
ATOM      9  C   LIG    1       -3.863  -1.272   1.106  0.00  0.00    +0.145 A 
ATOM     10  F   LIG    1       -3.913  -2.189   2.084  0.00  0.00    -0.204 F 
ATOM     11  C   LIG    1       -5.035  -0.782   0.534  0.00  0.00    +0.076 A 
ATOM     12 CL   LIG    1       -6.574  -1.339   1.064  0.00  0.00    -0.081 Cl
ATOM     13  C   LIG    1       -4.959   0.171  -0.478  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -3.708   0.623  -0.907  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1        0.941   1.165  -0.891  0.00  0.00    +0.091 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.315   0.922  -0.317  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1        3.302   0.287  -1.083  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        4.567   0.046  -0.545  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.857   0.437   0.761  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.882   1.071   1.530  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        2.617   1.313   0.994  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6