REMARK  Name = BDB047569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.231   0.979  -1.917  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.567  -1.679  -0.563  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -3.355  -0.919  -1.043  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.244  -1.177  -0.232  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.019  -0.565  -0.462  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.901   0.303  -1.549  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.011   0.536  -2.380  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.587  -2.148   0.853  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -3.244  -0.075  -2.135  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -3.856  -2.783   0.267  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -5.547  -0.837   0.289  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.126   1.176   0.395  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -6.151   0.370  -0.457  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -6.644  -1.738   0.833  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -6.768  -2.000   2.021  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.475  -2.253  -0.100  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -7.292  -1.978  -1.017  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        1.383   0.812  -1.084  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.511   1.663  -1.661  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.722   1.656  -0.803  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        4.430   2.712  -0.273  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        4.303   4.179  -0.324  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        5.468   2.198   0.451  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.345   0.839   0.318  0.00  0.00    +0.233 A 
ATOM     25  N   LIG    1        4.312   0.473  -0.419  0.00  0.00    -0.213 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.326   0.019   1.010  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1        6.052  -1.322   1.299  0.00  0.00    +0.138 A 
ATOM     28  F   LIG    1        4.875  -1.872   0.964  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        6.977  -2.136   1.958  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1        8.209  -1.618   2.345  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        8.507  -0.287   2.067  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1        7.572   0.516   1.406  0.00  0.00    +0.138 A 
ATOM     33  F   LIG    1        7.925   1.784   1.147  0.00  0.00    -0.205 F 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9