REMARK  Name = BDB045950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.371   2.291   1.489  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.119   1.042  -0.449  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        3.131   1.622   0.823  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.937   2.022   1.428  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.713   1.860   0.776  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        0.695   1.283  -0.493  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.890   0.879  -1.101  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        4.404   0.598  -1.116  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.117  -0.599  -0.459  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.148  -1.773  -0.269  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        3.894  -2.371   0.764  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        3.592  -2.186  -1.430  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        2.999  -2.913  -1.142  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        5.740  -0.152   0.750  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        7.032  -2.148   1.363  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        7.043  -0.678   0.986  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.657   2.256   0.865  0.00  0.00    +0.230 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.321   0.896   1.078  0.00  0.00    +0.054 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.781   0.825   0.582  0.00  0.00    +0.059 C 
ATOM     20  C   LIG    1       -4.399  -0.467   1.075  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.442  -1.576   0.222  0.00  0.00    +0.132 A 
ATOM     22  C   LIG    1       -4.938  -2.800   0.673  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -5.413  -2.918   1.979  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.388  -1.816   2.833  0.00  0.00    +0.001 A 
ATOM     25  O   LIG    1       -4.004  -1.526  -1.081  0.00  0.00    -0.455 OA
ATOM     26  C   LIG    1       -3.939  -0.284  -1.669  0.00  0.00    +0.132 A 
ATOM     27  C   LIG    1       -3.956  -0.251  -3.064  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1       -3.948   0.973  -3.731  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -3.928   2.161  -3.002  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.897   2.128  -1.607  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -4.880  -0.595   2.386  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1       -3.878   0.901  -0.927  0.00  0.00    +0.002 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10