REMARK  Name = BDB025488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.612  -1.571  -0.016  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -3.363  -2.197   0.476  0.00  0.00    +0.142 C 
ATOM      3  C   LIG    1       -2.180  -1.292   0.296  0.00  0.00    +0.083 A 
ATOM      4  N   LIG    1       -1.029  -1.455   0.944  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.191  -0.489   0.439  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -0.911   0.381  -0.407  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        1.181  -0.567   0.798  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1        1.531  -1.367   1.664  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.156  -0.182  -0.566  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -3.348   0.230  -1.350  0.00  0.00    +0.056 C 
ATOM     11  C   LIG    1       -4.445  -0.859  -1.296  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.143   0.301   0.004  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.488   0.553   0.689  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        4.661   0.621  -0.089  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        5.891   0.869   0.542  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1        5.966   1.056   1.922  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1        4.803   1.014   2.674  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        4.866   1.217   3.997  0.00  0.00    -0.205 F 
ATOM     19  N   LIG    1        4.636   0.557  -1.482  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        5.413   0.034  -1.877  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        3.367   0.413  -2.170  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        3.572   0.776   2.075  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        2.378  -0.389  -1.349  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   6  24
ATOM     24  N   LIG    1       -0.458   1.545  -0.950  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -0.014   2.214  -0.318  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1       -1.133   2.067  -1.512  0.00  0.00    +0.144 HD
ENDBRANCH   6  24
BRANCH   1  28
ATOM     27  C   LIG    1       -4.721   0.255   1.785  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1       -5.390  -0.871   1.005  0.00  0.00    +0.081 C 
ENDBRANCH   1  28
TORSDOF 3