REMARK  Name = BDB025494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.494  -0.557   0.478  0.00  0.00    -0.297 NA
ATOM      2  C   LIG    1       -2.078  -0.156   0.283  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1       -1.853   0.392  -1.085  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1       -2.876   0.809  -1.917  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.255   1.243  -3.085  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -0.941   1.119  -3.021  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1       -4.304   0.731  -1.521  0.00  0.00    +0.056 C 
ATOM      8  N   LIG    1       -0.662   0.615  -1.776  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1        0.714   0.433  -1.465  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1        1.561   0.619  -2.338  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -4.422   0.499   0.001  0.00  0.00    +0.089 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.064  -0.017  -0.061  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        2.339   0.647   0.447  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        3.538  -0.085   0.600  0.00  0.00    +0.034 A 
ATOM     15  C   LIG    1        4.672   0.559   1.148  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1        4.619   1.928   1.451  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        3.446   2.641   1.250  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1        3.405   3.945   1.552  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        5.956  -0.185   1.404  0.00  0.00    +0.046 C 
ATOM     20  N   LIG    1        3.569  -1.471   0.356  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        4.499  -1.779   0.083  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1        2.541  -1.987  -0.534  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1        2.310   2.017   0.760  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        1.173  -1.546  -0.040  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   5  25
ATOM     25  N   LIG    1       -2.895   1.717  -4.160  0.00  0.00    -0.341 N 
ATOM     26  H   LIG    1       -2.329   1.782  -5.000  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -3.844   1.422  -4.349  0.00  0.00    +0.144 HD
ENDBRANCH   5  25
BRANCH   1  29
ATOM     28  C   LIG    1       -3.011  -2.093   2.395  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -3.782  -0.879   1.886  0.00  0.00    +0.081 C 
ENDBRANCH   1  29
TORSDOF 3