REMARK  Name = BDB046948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.119  -0.277  -0.996  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1        0.784  -0.674   0.002  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        2.049  -0.111   0.009  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1        3.204  -0.389   0.890  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        4.099   0.786   0.493  0.00  0.00    +0.234 C 
ATOM      6  O   LIG    1        3.711   1.257  -0.820  0.00  0.00    -0.491 OA
ATOM      7  C   LIG    1        2.423   0.811  -0.955  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        1.566   1.203  -1.962  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        0.282   0.651  -1.978  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  13
ATOM     10  O   LIG    1       -4.117  -2.072  -1.065  0.00  0.00    -0.245 OA
ATOM     11  C   LIG    1       -3.739  -1.285  -0.218  0.00  0.00    +0.335 C 
ATOM     12  C   LIG    1       -2.380  -0.716  -0.086  0.00  0.00    +0.040 C 
ATOM     13  C   LIG    1       -1.469  -0.841  -1.061  0.00  0.00    +0.018 C 
ATOM     14  C   LIG    1       -2.311  -0.006   1.212  0.00  0.00    +0.083 C 
ATOM     15  C   LIG    1       -3.776   0.261   1.458  0.00  0.00    +0.237 C 
ATOM     16  O   LIG    1       -4.496  -0.781   0.796  0.00  0.00    -0.461 OA
ENDBRANCH   1  13
TORSDOF 1