REMARK  Name = BDB054178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.112  -0.441   0.071  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.772  -1.672   2.084  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        0.100  -0.788   1.569  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.739  -0.021   2.308  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.244   0.643   1.796  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        1.274  -0.935  -0.604  0.00  0.00    -0.474 OA
BRANCH   6   7
ATOM      7  C   LIG    1        2.486  -0.354  -0.355  0.00  0.00    +0.157 A 
ATOM      8  C   LIG    1        2.744   0.793   0.402  0.00  0.00    +0.166 A 
ATOM      9  F   LIG    1        1.753   1.484   0.985  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1        4.042   1.270   0.570  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.103   0.598  -0.028  0.00  0.00    +0.044 A 
ATOM     12 CL   LIG    1        6.708   1.183   0.170  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        4.870  -0.543  -0.792  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        3.565  -1.015  -0.954  0.00  0.00    +0.050 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -1.092  -1.124  -0.604  0.00  0.00    +0.091 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.396  -0.401  -0.366  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1       -2.678   0.793  -1.044  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.865   1.482  -0.795  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.780   0.985   0.130  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.512  -0.204   0.804  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.327  -0.897   0.556  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6