COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.469   1.274   0.749  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.072   1.948   0.444  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.560   0.669   0.221  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.328  -0.872  -0.176  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.688  -0.409   0.173  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.333  -0.209   0.348  1.00  0.00           C  
HETATM    7  C   UNL     1       2.674  -0.181  -0.691  1.00  0.00           C  
HETATM    8  C   UNL     1       4.473   1.564  -1.023  1.00  0.00           C  
HETATM    9  C   UNL     1       2.178   2.234  -0.290  1.00  0.00           C  
HETATM   10  O   UNL     1       0.027  -0.382  -0.642  1.00  0.00           O  
HETATM   11  C   UNL     1       0.418   0.523   0.066  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.844   1.071   0.571  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.717   2.149   0.619  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.895   0.471   0.049  1.00  0.00           O  
HETATM   15  F   UNL     1      -5.968  -1.668   0.916  1.00  0.00           F  
HETATM   16  F   UNL     1      -7.718  -0.893  -0.331  1.00  0.00           F  
HETATM   17  F   UNL     1      -5.722  -1.369  -1.335  1.00  0.00           F  
HETATM   18  C   UNL     1       1.893   0.806   0.182  1.00  0.00           C  
HETATM   19  N   UNL     1       4.096   0.188  -0.672  1.00  0.00           N  
HETATM   20  S   UNL     1       5.251  -0.926  -0.265  1.00  0.00           S  
HETATM   21  C   UNL     1       5.424  -0.762   1.533  1.00  0.00           C  
HETATM   22  C   UNL     1       6.477  -1.751   2.037  1.00  0.00           C  
HETATM   23  O   UNL     1       4.665  -2.177  -0.598  1.00  0.00           O  
HETATM   24  O   UNL     1       6.425  -0.469  -0.923  1.00  0.00           O  
HETATM   25  C   UNL     1       3.675   2.533  -0.144  1.00  0.00           C  
HETATM   26  H   UNL     1      -0.155   1.953   1.367  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.751   2.787   0.477  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.069  -1.405   0.000  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.654  -1.048   0.312  1.00  0.00           H  
HETATM   30  H   UNL     1       2.553  -1.191  -0.298  1.00  0.00           H  
HETATM   31  H   UNL     1       2.299  -0.140  -1.714  1.00  0.00           H  
HETATM   32  H   UNL     1       5.539   1.707  -0.848  1.00  0.00           H  
HETATM   33  H   UNL     1       4.246   1.749  -2.073  1.00  0.00           H  
HETATM   34  H   UNL     1       1.888   2.336  -1.336  1.00  0.00           H  
HETATM   35  H   UNL     1       1.606   2.937   0.315  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.336   3.145   0.788  1.00  0.00           H  
HETATM   37  H   UNL     1       2.204   0.698   1.221  1.00  0.00           H  
HETATM   38  H   UNL     1       5.734   0.254   1.777  1.00  0.00           H  
HETATM   39  H   UNL     1       4.468  -0.974   2.011  1.00  0.00           H  
HETATM   40  H   UNL     1       7.433  -1.538   1.559  1.00  0.00           H  
HETATM   41  H   UNL     1       6.581  -1.652   3.117  1.00  0.00           H  
HETATM   42  H   UNL     1       6.167  -2.767   1.793  1.00  0.00           H  
HETATM   43  H   UNL     1       3.970   2.408   0.898  1.00  0.00           H  
HETATM   44  H   UNL     1       3.874   3.557  -0.458  1.00  0.00           H  
CONECT    1   12   11   26                                            
CONECT    2    3    3   13   27                                       
CONECT    3    5   14    2    2                                       
CONECT    4   14   17   15   16                                       
CONECT    5    6    6    3   28                                       
CONECT    6    5    5   12   29                                       
CONECT    7   18   19   30   31                                       
CONECT    8   25   19   32   33                                       
CONECT    9   25   18   34   35                                       
CONECT   10   11   11                                                 
CONECT   11    1   18   10   10                                       
CONECT   12    6    1   13   13                                       
CONECT   13   12   12    2   36                                       
CONECT   14    3    4                                                 
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    4                                                      
CONECT   18    9   11    7   37                                       
CONECT   19    8    7   20                                            
CONECT   20   19   23   23   24                                       
CONECT   20   24   21                                                 
CONECT   21   20   22   38   39                                       
CONECT   22   21   40   41   42                                       
CONECT   23   20   20                                                 
CONECT   24   20   20                                                 
CONECT   25    9    8   43   44                                       
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   13                                                      
CONECT   37   18                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
