COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.722  -1.026  -0.134  1.00  0.00           C  
HETATM    2  C   UNL     1       1.384  -1.347  -0.235  1.00  0.00           C  
HETATM    3  C   UNL     1       0.427  -0.348  -0.139  1.00  0.00           C  
HETATM    4  C   UNL     1       2.184   1.294   0.162  1.00  0.00           C  
HETATM    5  C   UNL     1       0.831   0.981   0.062  1.00  0.00           C  
HETATM    6  C   UNL     1       3.121   0.287   0.069  1.00  0.00           C  
HETATM    7  N   UNL     1       0.971  -2.752  -0.447  1.00  0.00           N1+
HETATM    8  O   UNL     1       1.814  -3.621  -0.580  1.00  0.00           O  
HETATM    9  C   UNL     1       4.588   0.616   0.177  1.00  0.00           C  
HETATM   10  F   UNL     1       4.812   1.909  -0.308  1.00  0.00           F  
HETATM   11  F   UNL     1       4.985   0.544   1.517  1.00  0.00           F  
HETATM   12  F   UNL     1       5.328  -0.300  -0.578  1.00  0.00           F  
HETATM   13  O   UNL     1      -0.894  -0.618  -0.233  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.807   0.358  -0.138  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.499   1.622   0.049  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.218   2.017   0.153  1.00  0.00           C  
HETATM   17  O   UNL     1       0.067   3.190   0.321  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.125   0.022  -0.241  1.00  0.00           N  
HETATM   19  C   UNL     1      -3.641  -1.193   0.405  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.544  -1.821   1.266  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.833  -0.813   1.289  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.867  -0.060   0.449  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.244   1.225  -0.099  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.057   0.872  -0.994  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.345   2.155  -1.429  1.00  0.00           C  
HETATM   26  H   UNL     1       3.466  -1.805  -0.209  1.00  0.00           H  
HETATM   27  H   UNL     1       2.496   2.315   0.321  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.963  -1.903  -0.357  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.113  -1.062   1.918  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.971  -2.621   1.872  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.766  -2.230   0.621  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.285  -1.717   1.698  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.493  -0.175   2.104  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.189  -0.690  -0.381  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.728   0.190   1.070  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.988   1.773  -0.678  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.900   1.845   0.729  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.414   0.334  -1.873  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.431   1.899  -1.963  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.000   2.730  -2.083  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.098   2.749  -0.549  1.00  0.00           H  
HETATM   42  O   UNL     1      -0.212  -3.040  -0.489  1.00  0.00           O1-
CONECT    1    6    2    2   26                                       
CONECT    2    1    1    3    7                                       
CONECT    3    5    5    2   13                                       
CONECT    4    6    6    5   27                                       
CONECT    5    4   16    3    3                                       
CONECT    6    9    4    4    1                                       
CONECT    7    2    8    8   42                                       
CONECT    8    7    7                                                 
CONECT    9   12   10   11    6                                       
CONECT   10    9                                                      
CONECT   11    9                                                      
CONECT   12    9                                                      
CONECT   13    3   14                                                 
CONECT   14   15   15   13   18                                       
CONECT   15   16   14   14                                            
CONECT   16   17   17    5   15                                       
CONECT   17   16   16                                                 
CONECT   18   14   19   24                                            
CONECT   19   20   18   21   28                                       
CONECT   20   19   29   30   31                                       
CONECT   21   19   22   32   33                                       
CONECT   22   21   23   34   35                                       
CONECT   23   24   22   36   37                                       
CONECT   24   18   25   23   38                                       
CONECT   25   24   39   40   41                                       
CONECT   26    1                                                      
CONECT   27    4                                                      
CONECT   28   19                                                      
CONECT   29   20                                                      
CONECT   30   20                                                      
CONECT   31   20                                                      
CONECT   32   21                                                      
CONECT   33   21                                                      
CONECT   34   22                                                      
CONECT   35   22                                                      
CONECT   36   23                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42    7                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
