REMARK  Name = BDB045874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.554   0.633   0.057  0.00  0.00    +0.183 A 
ATOM      2  N   LIG    1       -1.016   1.879  -0.151  0.00  0.00    -0.324 N 
ATOM      3  C   LIG    1       -1.728   3.143  -0.182  0.00  0.00    +0.124 C 
ATOM      4  C   LIG    1       -0.880   4.286  -0.743  0.00  0.00    +0.022 C 
ATOM      5  C   LIG    1        0.541   4.240  -0.183  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1        1.226   2.923  -0.554  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1        0.349   1.749  -0.281  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.579   0.393  -0.164  0.00  0.00    +0.095 A 
ATOM      9  N   LIG    1       -0.604  -0.287   0.013  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        1.847  -0.292  -0.283  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        2.955   0.050   0.498  0.00  0.00    +0.133 A 
ATOM     12  F   LIG    1        2.878   1.033   1.407  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        4.163  -0.633   0.374  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        4.277  -1.686  -0.539  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1        3.171  -2.050  -1.318  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        1.962  -1.359  -1.185  0.00  0.00    +0.014 A 
BRANCH  14  17
ATOM     17  C   LIG    1        5.578  -2.386  -0.642  0.00  0.00    +0.337 C 
ATOM     18  O   LIG    1        6.579  -2.123  -0.002  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        5.565  -3.383  -1.543  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        6.474  -3.749  -1.504  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   8  10
BRANCH   1  21
ATOM     21  C   LIG    1       -2.948   0.315   0.286  0.00  0.00    +0.231 C 
ATOM     22  O   LIG    1       -3.875   1.121   0.302  0.00  0.00    -0.283 OA
BRANCH  21  24
ATOM     23  C   LIG    1       -3.497  -1.943  -0.599  0.00  0.00    +0.064 A 
ATOM     24  C   LIG    1       -3.279  -1.105   0.503  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1       -3.376  -1.607   1.805  0.00  0.00    +0.053 A 
ATOM     26 CL   LIG    1       -3.111  -0.622   3.198  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -3.693  -2.954   2.005  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -3.911  -3.795   0.913  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -3.814  -3.292  -0.386  0.00  0.00    +0.019 A 
BRANCH  23  31
ATOM     30  N   LIG    1       -3.328  -1.066  -3.034  0.00  0.00    -0.191 NA
ATOM     31  C   LIG    1       -3.402  -1.453  -1.943  0.00  0.00    +0.100 C 
ENDBRANCH  23  31
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 6