REMARK  Name = BDB055168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.506   0.040   1.295  0.00  0.00    +0.264 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.447   0.135  -0.505  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1       -4.070  -0.934   0.303  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.795  -0.966   0.886  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1       -1.881   0.071   0.672  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -2.260   1.139  -0.147  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -3.530   1.166  -0.727  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1       -5.639   0.311  -1.143  0.00  0.00    -0.475 OA
BRANCH   8  10
ATOM      9  C   LIG    1       -7.950   0.191  -1.571  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -6.758  -0.552  -0.935  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -6.572  -1.862  -1.719  0.00  0.00    +0.067 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -7.166  -0.825   0.527  0.00  0.00    +0.348 C 
ATOM     13  O   LIG    1       -7.421  -1.913   1.020  0.00  0.00    -0.247 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -7.234   0.287   1.288  0.00  0.00    -0.478 OA
ATOM     15  H   LIG    1       -7.466  -0.041   2.180  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  O   LIG    1        0.449  -0.168   0.257  0.00  0.00    -0.487 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.769  -0.158   0.610  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.275  -0.003   1.900  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        3.658  -0.007   2.117  0.00  0.00    +0.015 A 
ATOM     20  C   LIG    1        4.542  -0.156   1.043  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1        4.037  -0.336  -0.247  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        2.655  -0.329  -0.457  0.00  0.00    +0.046 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.000  -0.166   1.320  0.00  0.00    +0.193 C 
ATOM     24  O   LIG    1        6.406  -0.661   2.369  0.00  0.00    -0.287 OA
BRANCH  23  25
ATOM     25  C   LIG    1        6.976   0.410   0.360  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        6.682   1.556  -0.389  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        7.633   2.074  -1.271  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.878   1.458  -1.397  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.181   0.328  -0.637  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.235  -0.193   0.247  0.00  0.00    +0.012 A 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9