REMARK  Name = BDB050692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.075  -0.652   0.582  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.680  -2.020   0.024  0.00  0.00    +0.346 C 
ATOM      3  O   LIG    1        1.014  -2.519  -1.038  0.00  0.00    -0.247 OA
BRANCH   2   4
ATOM      4  O   LIG    1       -0.077  -2.736   0.886  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -0.260  -3.562   0.388  0.00  0.00    +0.295 HD
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  C   LIG    1       -0.174   0.226   0.817  0.00  0.00    +0.091 C 
BRANCH   6   8
ATOM      7  C   LIG    1       -2.488  -0.142  -0.267  0.00  0.00    -0.044 A 
ATOM      8  C   LIG    1       -1.155   0.322  -0.342  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -0.713   0.914  -1.541  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -1.550   1.021  -2.651  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -2.853   0.547  -2.582  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.317  -0.026  -1.400  0.00  0.00    +0.004 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -3.096  -0.745   0.983  0.00  0.00    +0.035 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -4.716   1.133   1.590  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -3.524   0.292   2.027  0.00  0.00    +0.001 C 
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  O   LIG    1        1.987   0.076  -0.242  0.00  0.00    -0.477 OA
BRANCH  16  17
ATOM     17  C   LIG    1        3.313  -0.249  -0.221  0.00  0.00    +0.122 A 
ATOM     18  C   LIG    1        3.894  -1.329   0.446  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        5.276  -1.537   0.375  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        6.077  -0.669  -0.364  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1        7.775  -0.930  -0.445  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        5.507   0.407  -1.037  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        4.127   0.612  -0.965  0.00  0.00    +0.047 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8