REMARK  Name = BDB050689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.091  -1.652   0.260  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.317  -4.059   0.743  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        0.322  -3.120   0.293  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1        1.526  -3.346  -0.277  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        1.662  -4.311  -0.180  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        0.859  -0.914   1.046  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        1.713  -0.119   0.334  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        1.290   0.812  -0.615  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        2.227   1.618  -1.266  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        3.581   1.501  -0.953  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        4.733   2.495  -1.755  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        4.004   0.591   0.014  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        3.066  -0.212   0.664  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -1.480  -1.500   0.901  0.00  0.00    +0.093 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.096  -0.138   0.651  0.00  0.00    -0.025 A 
ATOM     16  C   LIG    1       -2.788   0.178  -0.529  0.00  0.00    +0.044 A 
ATOM     17 CL   LIG    1       -2.994  -0.973  -1.801  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -3.321   1.456  -0.721  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -3.167   2.435   0.260  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -2.477   2.138   1.432  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -1.945   0.863   1.627  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6