REMARK  Name = BDB000752
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.161   2.253  -0.111  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1       -1.727   1.109  -0.083  0.00  0.00    +0.187 C 
ATOM      3  C   LIG    1       -0.279   0.824  -0.019  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1        0.182  -0.493   0.012  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        1.560  -0.737   0.072  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        2.465   0.322   0.101  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.001   1.637   0.070  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1       -0.778  -1.611  -0.018  0.00  0.00    +0.190 C 
ATOM      9  O   LIG    1       -0.391  -2.775   0.008  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -2.217  -1.298  -0.082  0.00  0.00    +0.055 C 
ATOM     11  C   LIG    1        0.630   1.890   0.010  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.655  -0.037  -0.111  0.00  0.00    +0.055 C 
ENDROOT
BRANCH   5  13
ATOM     13  O   LIG    1        2.098  -1.996   0.106  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1        1.365  -2.651   0.081  0.00  0.00    +0.292 HD
ENDBRANCH   5  13
TORSDOF 1