REMARK  Name = BDB042579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.451  -1.157  -1.812  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.381  -1.760  -0.687  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.684  -1.289  -0.546  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        2.535  -1.926   0.459  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        3.444  -0.908   1.148  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        4.124  -0.003   0.150  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1        3.613   0.142  -1.088  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        2.367  -0.529  -1.588  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1       -0.093  -2.615   0.063  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.337   0.724   0.579  0.00  0.00    -0.016 A 
ATOM     11  C   LIG    1        6.450   0.832  -0.258  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        7.565   1.512   0.202  0.00  0.00    +0.214 A 
ATOM     13  F   LIG    1        8.628   1.609  -0.609  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1        7.656   2.084   1.417  0.00  0.00    -0.228 NA
ATOM     15  C   LIG    1        6.576   1.966   2.214  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1        5.414   1.303   1.849  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -1.890  -1.685  -1.850  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -5.986   1.726  -1.769  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.670   1.290  -0.363  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -4.625   0.383  -0.069  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -4.385   0.016   1.272  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1       -3.289  -0.937   1.578  0.00  0.00    +0.259 A 
ATOM     23  N   LIG    1       -2.574  -1.407   0.498  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -1.821  -2.062   0.723  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -2.788  -1.051  -0.811  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -3.018  -1.294   2.718  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -5.170   0.544   2.296  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1       -4.969   0.219   3.580  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -6.197   1.436   2.008  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -3.773  -0.195  -1.121  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -6.447   1.807   0.689  0.00  0.00    +0.007 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4