REMARK  Name = BDB054173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.131   0.793   0.312  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.609   2.918  -0.812  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        0.107   1.804  -0.844  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.528   1.353  -1.954  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -0.912   0.457  -1.882  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        1.137   1.134   1.283  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        2.316   0.492   1.025  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        3.284   1.115   0.241  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        4.497   0.467   0.001  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        4.734  -0.788   0.563  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        6.229  -1.587   0.268  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        3.772  -1.397   1.370  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        2.558  -0.751   1.609  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -1.214   0.828   1.054  0.00  0.00    +0.091 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.310   0.062   0.351  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -3.341   0.740  -0.312  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -4.335   0.021  -0.970  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -5.313   0.678  -1.605  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -4.324  -1.368  -0.984  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -3.306  -2.053  -0.323  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -2.304  -1.342   0.343  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6