REMARK  Name = BDB055166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.360  -1.981   0.762  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.034  -1.956  -0.614  0.00  0.00    +0.038 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.819   0.144  -0.613  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -3.673   0.737  -1.150  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.449   0.065  -1.151  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.354  -1.226  -0.623  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1       -3.506  -1.825  -0.100  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.731  -1.147  -0.100  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -5.938   0.920  -0.683  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -7.965   1.933  -0.123  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -7.059   0.726   0.189  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.624   0.823   1.662  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -7.916  -0.532  -0.108  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -7.775  -1.261  -1.080  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -8.898  -0.779   0.796  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -8.991  -0.130   1.515  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.096  -0.605   1.254  0.00  0.00    +0.229 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.937   0.051   0.304  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.276  -0.218   0.302  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.948  -1.100   1.148  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.331  -1.275   1.026  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        5.054  -0.560   0.064  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        4.381   0.307  -0.800  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        3.000   0.478  -0.672  0.00  0.00    +0.046 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.518  -0.790  -0.037  0.00  0.00    +0.193 C 
ATOM     26  O   LIG    1        6.968  -1.905   0.216  0.00  0.00    -0.287 OA
BRANCH  25  27
ATOM     27  C   LIG    1        7.450   0.295  -0.435  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        8.578  -0.041  -1.194  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        9.482   0.950  -1.578  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        9.270   2.274  -1.194  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.160   2.609  -0.419  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        7.252   1.621  -0.032  0.00  0.00    +0.012 A 
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11