REMARK  Name = BDB050686
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.087  -0.041  -0.291  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.077   2.171  -1.369  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.170   1.461  -0.380  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.534   2.000   0.805  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -0.702   2.943   0.594  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        1.281  -0.411  -0.985  0.00  0.00    -0.476 OA
BRANCH   6   7
ATOM      7  C   LIG    1        2.503  -0.130  -0.435  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.630  -0.469  -1.208  0.00  0.00    +0.084 A 
ATOM      9 CL   LIG    1        3.461  -1.205  -2.765  0.00  0.00    -0.080 Cl
ATOM     10  C   LIG    1        4.924  -0.224  -0.742  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        5.100   0.362   0.506  0.00  0.00    +0.043 A 
ATOM     12 CL   LIG    1        6.688   0.668   1.092  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        3.998   0.701   1.287  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        2.702   0.455   0.820  0.00  0.00    +0.048 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -1.067  -0.775  -0.991  0.00  0.00    +0.091 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.381  -0.685  -0.254  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1       -2.619  -1.481   0.875  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.827  -1.383   1.567  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.807  -0.491   1.137  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.581   0.303   0.015  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.374   0.208  -0.678  0.00  0.00    +0.004 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6