REMARK  Name = BDB050687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.144  -0.260  -0.598  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.484  -2.607  -1.272  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.117  -1.779  -0.452  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1        0.367  -2.186   0.741  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        0.344  -3.164   0.696  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -1.212   0.146  -1.478  0.00  0.00    -0.476 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -2.386   0.338  -0.799  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1       -2.714   1.567  -0.213  0.00  0.00    +0.061 A 
ATOM      9 BR   LIG    1       -1.541   3.056  -0.291  0.00  0.00    -0.046 Br
ATOM     10  C   LIG    1       -3.938   1.724   0.440  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -4.836   0.658   0.483  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1       -6.346   0.849   1.286  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.527  -0.558  -0.126  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -3.303  -0.715  -0.777  0.00  0.00    +0.048 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1        1.162   0.207  -1.256  0.00  0.00    +0.091 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.354   0.200  -0.331  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1        2.496   1.191   0.650  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        3.592   1.179   1.514  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.556   0.179   1.405  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.426  -0.810   0.431  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.330  -0.800  -0.434  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6