COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.333  -1.673  -0.370  1.00  0.00           C  
HETATM    2  C   UNL     1       6.603  -1.431   0.119  1.00  0.00           C  
HETATM    3  C   UNL     1       4.586  -0.636  -0.899  1.00  0.00           C  
HETATM    4  C   UNL     1       7.125  -0.149   0.084  1.00  0.00           C  
HETATM    5  C   UNL     1       5.107   0.644  -0.934  1.00  0.00           C  
HETATM    6  C   UNL     1       6.374   0.890  -0.440  1.00  0.00           C  
HETATM    7  C   UNL     1       3.204  -0.902  -1.437  1.00  0.00           C  
HETATM    8  N   UNL     1       2.219  -0.737  -0.360  1.00  0.00           N  
HETATM    9  C   UNL     1       1.263   0.757   1.329  1.00  0.00           C  
HETATM   10  C   UNL     1       2.163   0.660   0.092  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.039   0.155   1.008  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.057  -1.194   0.422  1.00  0.00           C  
HETATM   13  C   UNL     1       0.895  -1.214  -0.780  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.187   0.821   1.245  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.479   0.242   0.820  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.502   0.388  -0.466  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.297   0.934  -0.074  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.900  -0.843   0.025  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.090  -1.537   0.906  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.883  -1.002   1.307  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.159   1.898   1.808  1.00  0.00           O  
HETATM   22  N   UNL     1      -6.194  -1.423  -0.400  1.00  0.00           N1+
HETATM   23  O   UNL     1      -6.906  -0.816  -1.180  1.00  0.00           O1-
HETATM   24  O   UNL     1      -6.546  -2.506   0.031  1.00  0.00           O  
HETATM   25  N   UNL     1      -2.874   2.251  -0.599  1.00  0.00           N1+
HETATM   26  O   UNL     1      -1.759   2.676  -0.352  1.00  0.00           O  
HETATM   27  F   UNL     1       8.366   0.089   0.562  1.00  0.00           F  
HETATM   28  H   UNL     1       4.925  -2.672  -0.343  1.00  0.00           H  
HETATM   29  H   UNL     1       7.188  -2.241   0.528  1.00  0.00           H  
HETATM   30  H   UNL     1       4.523   1.453  -1.347  1.00  0.00           H  
HETATM   31  H   UNL     1       6.780   1.890  -0.467  1.00  0.00           H  
HETATM   32  H   UNL     1       2.985  -0.199  -2.240  1.00  0.00           H  
HETATM   33  H   UNL     1       3.154  -1.921  -1.822  1.00  0.00           H  
HETATM   34  H   UNL     1       1.722   0.218   2.158  1.00  0.00           H  
HETATM   35  H   UNL     1       1.126   1.804   1.601  1.00  0.00           H  
HETATM   36  H   UNL     1       3.167   1.001   0.345  1.00  0.00           H  
HETATM   37  H   UNL     1       1.755   1.284  -0.703  1.00  0.00           H  
HETATM   38  H   UNL     1       0.275  -1.920   1.163  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.067  -1.437   0.093  1.00  0.00           H  
HETATM   40  H   UNL     1       0.505  -0.564  -1.563  1.00  0.00           H  
HETATM   41  H   UNL     1       0.979  -2.233  -1.160  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.136   0.923  -1.158  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.407  -2.497   1.286  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.252  -1.545   1.995  1.00  0.00           H  
HETATM   45  O   UNL     1      -3.640   2.911  -1.278  1.00  0.00           O1-
CONECT    1    2    2    3   28                                       
CONECT    2    4    1    1   29                                       
CONECT    3    5    5    1    7                                       
CONECT    4   27    6    6    2                                       
CONECT    5    6    3    3   30                                       
CONECT    6    4    4    5   31                                       
CONECT    7    8    3   32   33                                       
CONECT    8   10    7   13                                            
CONECT    9   11   10   34   35                                       
CONECT   10    9    8   36   37                                       
CONECT   11    9   14   12                                            
CONECT   12   11   13   38   39                                       
CONECT   13    8   12   40   41                                       
CONECT   14   21   21   11   15                                       
CONECT   15   14   20   20   17                                       
CONECT   16   17   17   18   42                                       
CONECT   17   15   25   16   16                                       
CONECT   18   19   19   16   22                                       
CONECT   19   20   18   18   43                                       
CONECT   20   15   15   19   44                                       
CONECT   21   14   14                                                 
CONECT   22   18   24   24   23                                       
CONECT   23   22                                                      
CONECT   24   22   22                                                 
CONECT   25   17   26   26   45                                       
CONECT   26   25   25                                                 
CONECT   27    4                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
