COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.178  -3.228  -1.290  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.320  -2.187  -1.332  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.463  -1.727   0.135  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.176  -1.996   0.734  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.767  -3.273   0.199  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.275  -3.442   0.326  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.764  -0.295   0.194  1.00  0.00           N  
HETATM    8  O   UNL     1      -2.651  -4.507  -1.718  1.00  0.00           O  
HETATM    9  O   UNL     1      -4.532  -2.792  -1.788  1.00  0.00           O  
HETATM   10  C   UNL     1       0.423  -2.585   1.029  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.876   0.716   0.071  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.997   0.270   0.377  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.820   1.605   0.365  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.515   1.849   0.176  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.901   2.642   0.531  1.00  0.00           C  
HETATM   16  C   UNL     1       1.915  -2.753   1.156  1.00  0.00           C  
HETATM   17  N   UNL     1       2.584  -1.523   0.726  1.00  0.00           N  
HETATM   18  C   UNL     1       3.929  -1.442   0.753  1.00  0.00           C  
HETATM   19  C   UNL     1       4.603  -0.203   0.320  1.00  0.00           C  
HETATM   20  C   UNL     1       5.999  -0.115   0.347  1.00  0.00           C  
HETATM   21  C   UNL     1       6.624   1.059  -0.064  1.00  0.00           C  
HETATM   22  C   UNL     1       5.864   2.132  -0.497  1.00  0.00           C  
HETATM   23  C   UNL     1       4.481   2.045  -0.524  1.00  0.00           C  
HETATM   24  C   UNL     1       3.849   0.887  -0.126  1.00  0.00           C  
HETATM   25  N   UNL     1       3.679   3.199  -0.989  1.00  0.00           N1+
HETATM   26  O   UNL     1       6.741  -1.169   0.773  1.00  0.00           O  
HETATM   27  O   UNL     1       7.980   1.153  -0.040  1.00  0.00           O  
HETATM   28  O   UNL     1       4.588  -2.390   1.135  1.00  0.00           O  
HETATM   29  F   UNL     1      -6.046   2.951   1.888  1.00  0.00           F  
HETATM   30  F   UNL     1      -5.549   3.798  -0.174  1.00  0.00           F  
HETATM   31  F   UNL     1      -7.109   2.142   0.034  1.00  0.00           F  
HETATM   32  O   UNL     1       4.235   4.222  -1.347  1.00  0.00           O  
HETATM   33  O   UNL     1       2.464   3.125  -1.014  1.00  0.00           O1-
HETATM   34  H   UNL     1      -1.341  -2.902  -1.908  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.047  -1.347  -1.971  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.242  -2.300   0.638  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.286  -4.083   0.711  1.00  0.00           H  
HETATM   38  H   UNL     1       0.219  -4.269  -0.163  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.974  -5.198  -1.711  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.479  -3.153  -2.684  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.070  -1.758   1.517  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.814   0.605  -0.088  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.932  -0.255   0.507  1.00  0.00           H  
HETATM   44  H   UNL     1       2.170  -2.961   2.195  1.00  0.00           H  
HETATM   45  H   UNL     1       2.242  -3.583   0.529  1.00  0.00           H  
HETATM   46  H   UNL     1       2.059  -0.767   0.421  1.00  0.00           H  
HETATM   47  H   UNL     1       6.351   3.042  -0.815  1.00  0.00           H  
HETATM   48  H   UNL     1       2.771   0.824  -0.153  1.00  0.00           H  
HETATM   49  H   UNL     1       6.992  -1.783   0.069  1.00  0.00           H  
HETATM   50  H   UNL     1       8.408   0.871  -0.860  1.00  0.00           H  
CONECT    1    2    5    8   34                                       
CONECT    2    1    3    9   35                                       
CONECT    3    2    4    7   36                                       
CONECT    4    3    5                                                 
CONECT    5    1    4    6   37                                       
CONECT    6    5   10   10   38                                       
CONECT    7    3   11   12                                            
CONECT    8    1   39                                                 
CONECT    9    2   40                                                 
CONECT   10    6    6   16   41                                       
CONECT   11    7   14   14   42                                       
CONECT   12    7   13   13   43                                       
CONECT   13   12   12   14   15                                       
CONECT   14   11   11   13                                            
CONECT   15   13   29   30   31                                       
CONECT   16   10   17   44   45                                       
CONECT   17   16   18   46                                            
CONECT   18   17   19   28   28                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   26                                       
CONECT   21   20   22   22   27                                       
CONECT   22   21   21   23   47                                       
CONECT   23   22   24   24   25                                       
CONECT   24   19   23   23   48                                       
CONECT   25   23   32   32   33                                       
CONECT   26   20   49                                                 
CONECT   27   21   50                                                 
CONECT   28   18   18                                                 
CONECT   29   15                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
CONECT   32   25   25                                                 
CONECT   33   25                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
