REMARK  Name = BDB051406
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.139   0.557   1.497  0.00  0.00    -0.477 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.039   0.129   0.948  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -0.771  -0.867   1.586  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.982  -1.290   1.038  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -2.475  -0.706  -0.139  0.00  0.00    -0.043 A 
ATOM      6  C   LIG    1       -1.731   0.313  -0.756  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1       -0.520   0.738  -0.208  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -3.788  -1.168  -0.732  0.00  0.00    +0.070 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.863  -0.104  -0.771  0.00  0.00    -0.043 A 
ATOM     10  C   LIG    1       -5.385   0.335  -1.996  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.382   1.312  -2.032  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.869   1.857  -0.846  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.360   1.427   0.378  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.364   0.450   0.416  0.00  0.00    +0.004 A 
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        2.260  -0.149   0.937  0.00  0.00    +0.285 C 
BRANCH  15  17
ATOM     16  O   LIG    1        2.279  -1.539   2.958  0.00  0.00    -0.247 OA
ATOM     17  C   LIG    1        2.641  -1.359   1.803  0.00  0.00    +0.346 C 
BRANCH  17  18
ATOM     18  O   LIG    1        3.434  -2.261   1.171  0.00  0.00    -0.478 OA
ATOM     19  H   LIG    1        3.697  -2.012   0.262  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
BRANCH  15  20
ATOM     20  C   LIG    1        3.425   0.851   0.897  0.00  0.00    +0.091 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.524   0.444  -0.054  0.00  0.00    -0.043 A 
ATOM     22  C   LIG    1        5.733  -0.071   0.434  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.731  -0.486  -0.448  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.532  -0.386  -1.823  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.338   0.133  -2.319  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.338   0.547  -1.440  0.00  0.00    +0.004 A 
ENDBRANCH  20  21
ENDBRANCH  15  20
ENDBRANCH   1  15
TORSDOF 8