REMARK  Name = BDB042573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.606  -2.119   0.077  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.220  -1.542  -1.065  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        1.515  -1.130  -0.757  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        2.359  -0.658  -1.855  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        3.290   0.469  -1.407  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1        4.001   0.121  -0.124  0.00  0.00    -0.038 C 
ATOM      7  C   LIG    1        3.478  -0.805   0.703  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1        2.199  -1.551   0.462  0.00  0.00    +0.135 C 
ATOM      9  O   LIG    1       -0.250  -1.442  -2.200  0.00  0.00    -0.276 OA
BRANCH   6  10
ATOM     10  C   LIG    1        5.261   0.829   0.195  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        5.411   2.206  -0.025  0.00  0.00    +0.131 A 
ATOM     12  F   LIG    1        4.394   2.938  -0.504  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        6.607   2.866   0.260  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1        7.689   2.153   0.768  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        7.570   0.783   0.987  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        6.367   0.126   0.701  0.00  0.00    +0.011 A 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -2.031  -2.500  -0.338  0.00  0.00    +0.062 C 
BRANCH  17  25
ATOM     18  C   LIG    1       -6.183  -0.527   2.361  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -5.899   0.348   1.169  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -4.848   0.075   0.263  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -4.639   0.937  -0.834  0.00  0.00    +0.082 A 
ATOM     22  C   LIG    1       -3.535   0.649  -1.784  0.00  0.00    +0.259 A 
ATOM     23  N   LIG    1       -2.778  -0.470  -1.512  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -2.015  -0.652  -2.169  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1       -2.964  -1.315  -0.446  0.00  0.00    +0.020 A 
ATOM     26  O   LIG    1       -3.295   1.354  -2.756  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -5.462   2.046  -1.021  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1       -5.293   2.886  -2.052  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -6.496   2.316  -0.132  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -3.958  -1.086   0.426  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -6.714   1.474   0.956  0.00  0.00    +0.007 A 
ENDBRANCH  17  25
ENDBRANCH   1  17
TORSDOF 4