REMARK  Name = BDB051408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.967   1.893  -0.511  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.129   2.230  -1.308  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        1.354   1.578  -1.146  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        1.502   0.574  -0.190  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.408   0.231   0.602  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.821   0.888   0.442  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.098   2.608  -0.784  0.00  0.00    -0.477 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.264   2.457   0.046  0.00  0.00    +0.285 C 
BRANCH   8  10
ATOM      9  O   LIG    1       -4.871   4.109   0.843  0.00  0.00    -0.247 OA
ATOM     10  C   LIG    1       -3.834   3.864   0.243  0.00  0.00    +0.346 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -3.070   4.843  -0.304  0.00  0.00    -0.478 OA
ATOM     12  H   LIG    1       -2.284   4.442  -0.738  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
BRANCH   8  13
ATOM     13  C   LIG    1       -4.323   1.610  -0.672  0.00  0.00    +0.091 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.105   0.126  -0.500  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1       -4.583  -0.530   0.643  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.359  -1.897   0.819  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.656  -2.618  -0.144  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -3.178  -1.976  -1.284  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.402  -0.610  -1.464  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  O   LIG    1        2.747   0.015  -0.137  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        2.953  -1.026   0.815  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.382  -1.494   0.696  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        4.724  -2.511  -0.207  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        6.049  -2.935  -0.326  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.044  -2.342   0.448  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.718  -1.320   1.338  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.394  -0.894   1.458  0.00  0.00    +0.007 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9