REMARK  Name = BDB053799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.398  -0.670  -0.054  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.225  -1.916   0.058  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -1.584  -2.008   0.365  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1       -2.338  -0.846   0.548  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -1.714   0.404   0.457  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.351   0.490   0.150  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.778  -0.979   0.884  0.00  0.00    +0.193 C 
ATOM      8  O   LIG    1       -4.147  -1.927   1.574  0.00  0.00    -0.287 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -4.781   0.006   0.408  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -5.870   0.303   1.237  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -6.838   1.217   0.819  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.728   1.825  -0.432  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.657   1.515  -1.270  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.685   0.602  -0.855  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  O   LIG    1        1.730  -0.725  -0.358  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        2.427   0.516  -0.466  0.00  0.00    +0.229 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.892   0.227  -0.793  0.00  0.00    +0.041 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.596  -0.528   0.342  0.00  0.00    +0.014 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.069  -0.803   0.038  0.00  0.00    +0.120 C 
BRANCH  19  21
ATOM     20  O   LIG    1        6.561   1.539   0.485  0.00  0.00    -0.251 OA
ATOM     21  C   LIG    1        6.938   0.431   0.137  0.00  0.00    +0.305 C 
BRANCH  21  22
ATOM     22  O   LIG    1        8.224   0.180  -0.202  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1        8.391  -0.749  -0.450  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 9