REMARK  Name = BDB017259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.307   0.792   0.778  0.00  0.00    +0.201 C 
ATOM      2  O   LIG    1       -0.930   0.982   1.825  0.00  0.00    -0.289 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1        6.122  -0.452   0.423  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        5.177  -0.706   1.421  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.832  -0.333   1.263  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.428   0.309   0.072  0.00  0.00    -0.017 A 
ATOM      7  C   LIG    1        2.082   0.683  -0.093  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.136   0.422   0.906  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        1.549  -0.203   2.089  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        4.385   0.560  -0.923  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        2.882  -0.580   2.265  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.722   0.183  -0.750  0.00  0.00    +0.046 A 
BRANCH   3  14
ATOM     13  C   LIG    1        8.394  -0.624  -0.257  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.390  -0.872   0.719  0.00  0.00    -0.495 OA
ENDBRANCH   3  14
ENDBRANCH   1   8
BRANCH   1  15
ATOM     15  C   LIG    1       -0.946   0.912  -0.620  0.00  0.00    +0.186 C 
ATOM     16  C   LIG    1       -2.407   1.411  -0.540  0.00  0.00    +0.133 C 
ATOM     17  N   LIG    1       -3.402   0.401  -0.120  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1       -3.336  -0.799  -0.960  0.00  0.00    +0.084 C 
ATOM     19  C   LIG    1       -1.933  -1.404  -0.927  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -0.888  -0.405  -1.405  0.00  0.00    +0.051 C 
ATOM     21  F   LIG    1       -0.263   1.846  -1.367  0.00  0.00    -0.232 F 
BRANCH  17  22
ATOM     22  C   LIG    1       -4.745   0.996  -0.099  0.00  0.00    +0.088 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.705   0.121   0.651  0.00  0.00    +0.003 C 
ATOM     24  C   LIG    1       -6.669  -0.790  -0.071  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -7.180   0.440   0.623  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  15
TORSDOF 5