REMARK  Name = BDB000549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.367  -0.587  -1.514  0.00  0.00    +0.233 C 
ATOM      2  O   LIG    1       -0.800  -0.278  -2.618  0.00  0.00    -0.283 OA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.324   1.076  -0.067  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        2.816   1.425  -1.319  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.618   0.874  -1.782  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        0.911  -0.038  -0.990  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1        1.419  -0.390   0.266  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        2.622   0.166   0.724  0.00  0.00    +0.046 A 
BRANCH   3  10
ATOM      9  C   LIG    1        5.082   1.337   1.513  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1        4.501   1.687   0.263  0.00  0.00    -0.495 OA
ENDBRANCH   3  10
ENDBRANCH   1   6
BRANCH   1  11
ATOM     11  C   LIG    1       -1.188  -1.522  -0.657  0.00  0.00    +0.233 C 
ATOM     12  O   LIG    1       -0.722  -2.623  -0.386  0.00  0.00    -0.283 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -2.506  -1.078  -0.134  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -3.041   0.182  -0.429  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -4.278   0.559   0.102  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.983  -0.316   0.927  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.457  -1.572   1.224  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.222  -1.953   0.695  0.00  0.00    +0.012 A 
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 4