REMARK  Name = BDB055841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.263  -2.916   0.742  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        1.740  -1.834   0.512  0.00  0.00    +0.193 A 
ATOM      3  C   LIG    1        2.522  -0.607   0.303  0.00  0.00    +0.064 A 
ATOM      4  C   LIG    1        1.845   0.581   0.042  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1        2.562   1.760  -0.160  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        3.957   1.744  -0.099  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        4.635   0.552   0.163  0.00  0.00    +0.001 A 
ATOM      8  O   LIG    1        0.477   0.658  -0.032  0.00  0.00    -0.455 OA
ATOM      9  C   LIG    1       -0.261  -0.498   0.180  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        3.919  -0.629   0.365  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.276  -1.701   0.431  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -1.721  -0.308   0.078  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -2.254   0.487  -0.949  0.00  0.00    +0.057 A 
ATOM     14  C   LIG    1       -3.631   0.677  -1.042  0.00  0.00    +0.118 A 
ATOM     15  C   LIG    1       -4.496   0.093  -0.127  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -3.981  -0.691   0.903  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -2.601  -0.888   1.007  0.00  0.00    +0.012 A 
BRANCH  14  18
ATOM     18  O   LIG    1       -4.178   1.439  -2.033  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -3.463   1.783  -2.593  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
ENDBRANCH   9  12
TORSDOF 2