REMARK  Name = BDB055588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.615  -1.118  -0.490  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -1.008  -1.069  -1.754  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.346  -1.377  -1.910  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.108  -1.722  -0.794  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        0.512  -1.812   0.461  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.841  -1.504   0.614  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.478   0.512   0.051  0.00  0.00    -0.037 A 
ATOM      8  C   LIG    1       -3.035  -0.780  -0.326  0.00  0.00    -0.014 A 
ATOM      9  C   LIG    1       -3.990  -1.791  -0.550  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.354  -1.547  -0.403  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.790  -0.283  -0.026  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.863   0.734   0.200  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -2.787   2.864  -0.598  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -2.504   1.659   0.306  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -2.508   2.071   1.782  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  O   LIG    1        2.433  -2.058  -0.872  0.00  0.00    -0.477 OA
BRANCH  16  17
ATOM     17  C   LIG    1        3.245  -1.073  -1.547  0.00  0.00    +0.285 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.792  -1.703  -2.825  0.00  0.00    +0.346 C 
ATOM     19  O   LIG    1        4.490  -1.115  -3.638  0.00  0.00    -0.247 OA
BRANCH  18  20
ATOM     20  O   LIG    1        3.434  -3.002  -2.984  0.00  0.00    -0.478 OA
ATOM     21  H   LIG    1        2.880  -3.293  -2.226  0.00  0.00    +0.295 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
BRANCH  17  22
ATOM     22  C   LIG    1        4.428  -0.700  -0.646  0.00  0.00    +0.091 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.006   0.160   0.523  0.00  0.00    -0.043 A 
ATOM     24  C   LIG    1        3.823  -0.404   1.793  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        3.406   0.388   2.865  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.169   1.748   2.677  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.350   2.319   1.419  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.767   1.530   0.346  0.00  0.00    +0.004 A 
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 8