REMARK  Name = BDB046126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.383  -1.843   2.903  0.00  0.00    -0.488 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        2.440  -1.933   1.236  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        2.190  -1.335   2.478  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        0.899  -1.334   3.010  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -0.155  -1.911   2.303  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        0.093  -2.548   1.089  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.383  -2.549   0.552  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        3.824  -1.886   0.627  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.080  -0.578  -0.141  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.576  -0.439  -0.425  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        6.485  -1.094   0.061  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        5.865   0.571  -1.273  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        6.837   0.526  -1.375  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        3.355  -0.608  -1.378  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        2.850   1.747  -1.770  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        2.312   0.359  -1.464  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       -2.483  -1.520   2.043  0.00  0.00    +0.257 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.437  -0.065   1.663  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -2.579   0.476   0.433  0.00  0.00    -0.011 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.470   1.949   0.332  0.00  0.00    -0.017 A 
ATOM     21  C   LIG    1       -1.349   2.530  -0.277  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1       -1.242   3.918  -0.374  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -2.254   4.722   0.138  0.00  0.00    +0.123 A 
ATOM     24  F   LIG    1       -2.149   6.054   0.044  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -3.373   4.165   0.743  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -3.483   2.776   0.841  0.00  0.00    +0.011 A 
ENDBRANCH  19  20
BRANCH  19  27
ATOM     27  C   LIG    1       -2.835  -0.385  -0.739  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1       -1.774  -0.907  -1.487  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -2.024  -1.726  -2.588  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.336  -2.023  -2.949  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.400  -1.503  -2.213  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -4.151  -0.685  -1.112  0.00  0.00    +0.008 A 
ENDBRANCH  19  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11