REMARK  Name = BDB051109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.628   0.175   0.090  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.248  -1.053   0.623  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -0.918  -1.194   1.269  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.067  -2.166   0.467  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.285  -2.044  -0.208  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        2.706  -0.799  -0.709  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        1.858   0.310  -0.563  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.275   2.305   0.890  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -0.212   1.369   0.258  0.00  0.00    +0.249 C 
ATOM     10  N   LIG    1       -1.478   1.413  -0.323  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -2.018   0.443  -1.270  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1       -3.438   0.035  -0.877  0.00  0.00    +0.026 C 
ATOM     13  C   LIG    1       -4.391   1.248  -0.610  0.00  0.00    -0.026 C 
ATOM     14  C   LIG    1       -4.936   1.205   0.850  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -6.244   0.430   1.034  0.00  0.00    +0.001 C 
ATOM     16  C   LIG    1       -6.477  -0.618  -0.043  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -6.502  -0.002  -1.437  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1       -5.588   1.216  -1.593  0.00  0.00    +0.007 C 
ATOM     19  C   LIG    1       -3.619   2.578  -0.821  0.00  0.00    +0.026 C 
ATOM     20  C   LIG    1       -2.284   2.602  -0.076  0.00  0.00    +0.108 C 
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1        4.023  -0.646  -1.439  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.190  -1.358  -0.769  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1        5.793  -0.798   0.466  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        6.856  -1.503   1.028  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1        7.469  -1.052   2.203  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        7.016   0.115   2.816  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.960   0.830   2.254  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.325  -2.737   0.377  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1        8.266  -3.380   0.825  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1        6.646  -3.119  -0.752  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1        6.961  -3.965  -1.216  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1        5.348   0.378   1.081  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1        5.608  -2.458  -1.325  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 3