REMARK  Name = BDB055164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.822   2.014  -2.299  0.00  0.00    +0.076 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        4.243  -0.456  -1.312  0.00  0.00    +0.122 A 
ATOM      3  C   LIG    1        3.742  -0.416  -2.616  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.643   0.382  -2.943  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        2.019   1.157  -1.960  0.00  0.00    -0.044 A 
ATOM      6  C   LIG    1        2.512   1.105  -0.651  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        3.614   0.303  -0.329  0.00  0.00    +0.046 A 
BRANCH   2   8
ATOM      8  O   LIG    1        5.319  -1.278  -1.156  0.00  0.00    -0.475 OA
BRANCH   8  10
ATOM      9  C   LIG    1        6.842   0.088   0.185  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1        6.132  -1.266   0.022  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1        7.212  -2.328  -0.266  0.00  0.00    +0.067 C 
BRANCH  10  12
ATOM     12  C   LIG    1        5.437  -1.744   1.313  0.00  0.00    +0.348 C 
ATOM     13  O   LIG    1        4.406  -2.393   1.401  0.00  0.00    -0.247 OA
BRANCH  12  14
ATOM     14  O   LIG    1        6.106  -1.417   2.442  0.00  0.00    -0.478 OA
ATOM     15  H   LIG    1        5.558  -1.813   3.155  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  C   LIG    1       -0.506   1.365  -1.896  0.00  0.00    +0.233 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -0.693   1.515  -0.486  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -1.821   0.964   0.055  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1       -1.912   1.070   1.446  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -3.016   0.554   2.129  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -4.045  -0.057   1.417  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1       -3.954  -0.187   0.029  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -2.846   0.331  -0.651  0.00  0.00    +0.049 A 
BRANCH  21  24
ATOM     24  O   LIG    1       -5.091  -0.575   2.146  0.00  0.00    -0.456 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -6.365  -0.318   1.694  0.00  0.00    +0.128 A 
ATOM     26  C   LIG    1       -7.261  -1.388   1.678  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -8.578  -1.187   1.264  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -9.001   0.086   0.880  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.111   1.161   0.917  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.793   0.963   1.332  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 10