REMARK  Name = BDB000911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.082  -3.075   0.412  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -1.555  -1.983   0.252  0.00  0.00    +0.193 A 
ATOM      3  C   LIG    1       -2.334  -0.739   0.166  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1       -1.653   0.463  -0.015  0.00  0.00    +0.143 A 
ATOM      5  C   LIG    1       -2.366   1.658  -0.099  0.00  0.00    +0.092 A 
ATOM      6  C   LIG    1       -3.754   1.635   0.001  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -4.444   0.438   0.183  0.00  0.00    +0.046 A 
ATOM      8  O   LIG    1       -0.287   0.537  -0.117  0.00  0.00    -0.454 OA
ATOM      9  C   LIG    1        0.445  -0.639  -0.048  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1       -3.729  -0.758   0.266  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -0.094  -1.853   0.133  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.905  -0.448  -0.164  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1        2.524   0.628   0.493  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1        3.899   0.818   0.379  0.00  0.00    +0.118 A 
ATOM     15  C   LIG    1        4.679  -0.042  -0.384  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        4.077  -1.107  -1.049  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        2.697  -1.308  -0.943  0.00  0.00    +0.012 A 
BRANCH  14  18
ATOM     18  O   LIG    1        4.528   1.851   1.010  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1        3.865   2.374   1.490  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
ENDBRANCH   9  12
BRANCH   6  20
ATOM     20  O   LIG    1       -4.413   2.826  -0.085  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1       -5.368   2.665  -0.009  0.00  0.00    +0.292 HD
ENDBRANCH   6  20
TORSDOF 3