REMARK  Name = BDB054174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.086  -1.174  -0.004  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.270  -3.609   0.190  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.506  -2.538  -0.346  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.385  -2.483  -1.372  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.706  -3.406  -1.450  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        1.382  -1.436   0.556  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        2.364  -0.494   0.449  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.240   0.776  -0.114  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        3.341   1.640  -0.147  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        4.564   1.234   0.384  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        5.912   2.301   0.340  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        4.697  -0.030   0.949  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        3.596  -0.889   0.980  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -0.791  -0.485   1.050  0.00  0.00    +0.094 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.990   0.227   0.475  0.00  0.00    -0.008 A 
ATOM     16  C   LIG    1       -3.224  -0.423   0.369  0.00  0.00    +0.127 A 
ATOM     17  F   LIG    1       -3.348  -1.689   0.791  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -4.336   0.215  -0.172  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -4.227   1.530  -0.618  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1       -3.006   2.197  -0.519  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.892   1.551   0.025  0.00  0.00    +0.006 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6