COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.318   0.492   0.945  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.964  -0.105   2.011  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.908  -1.477   2.173  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.204  -2.251   1.270  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.558  -1.654   0.204  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.615  -0.282   0.041  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.915   0.368  -1.124  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.548   0.722  -0.737  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.528  -0.183  -0.925  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.786  -1.418  -1.474  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.295   1.932  -0.205  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.207   2.720  -0.051  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.048   2.283   0.160  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.020   1.427  -0.001  1.00  0.00           C  
HETATM   15  O   UNL     1       1.107   1.753   0.332  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.253   0.157  -0.560  1.00  0.00           C  
HETATM   17  N   UNL     1       0.813  -0.754  -0.742  1.00  0.00           N  
HETATM   18  C   UNL     1       0.680  -2.138  -0.282  1.00  0.00           C  
HETATM   19  S   UNL     1       2.212  -0.255  -1.475  1.00  0.00           S  
HETATM   20  O   UNL     1       2.582  -1.288  -2.378  1.00  0.00           O  
HETATM   21  O   UNL     1       1.996   1.090  -1.879  1.00  0.00           O  
HETATM   22  C   UNL     1       3.462  -0.207  -0.235  1.00  0.00           C  
HETATM   23  C   UNL     1       4.233  -1.328   0.013  1.00  0.00           C  
HETATM   24  C   UNL     1       5.214  -1.291   0.985  1.00  0.00           C  
HETATM   25  C   UNL     1       5.425  -0.131   1.712  1.00  0.00           C  
HETATM   26  C   UNL     1       4.653   0.990   1.463  1.00  0.00           C  
HETATM   27  C   UNL     1       3.675   0.953   0.486  1.00  0.00           C  
HETATM   28  F   UNL     1       6.384  -0.094   2.663  1.00  0.00           F  
HETATM   29  H   UNL     1      -4.008  -2.259  -0.502  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.160  -3.323   1.396  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.412  -1.944   3.006  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.514   0.499   2.717  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.366   1.563   0.816  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.887  -0.326  -1.964  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.455   1.269  -1.415  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.683  -1.637  -1.774  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.073  -2.069  -1.562  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.888   3.160   0.542  1.00  0.00           H  
HETATM   39  H   UNL     1       0.866  -2.817  -1.115  1.00  0.00           H  
HETATM   40  H   UNL     1       1.404  -2.329   0.510  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.328  -2.299   0.100  1.00  0.00           H  
HETATM   42  H   UNL     1       4.068  -2.232  -0.554  1.00  0.00           H  
HETATM   43  H   UNL     1       3.075   1.829   0.289  1.00  0.00           H  
HETATM   44  H   UNL     1       5.817  -2.167   1.178  1.00  0.00           H  
HETATM   45  H   UNL     1       4.816   1.895   2.029  1.00  0.00           H  
CONECT    1    2    6    6   33                                       
CONECT    2    3    3    1   32                                       
CONECT    3    4    2    2   31                                       
CONECT    4    5    5    3   30                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5    1    1    7                                       
CONECT    7    6    8   34   35                                       
CONECT    8    7    9   11                                            
CONECT    9    8   10   16   16                                       
CONECT   10    9   36   37                                            
CONECT   11    8   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   38                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16    9    9   14   17                                       
CONECT   17   16   18   19                                            
CONECT   18   17   39   40   41                                       
CONECT   19   17   21   21   20                                       
CONECT   19   20   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   27   27                                       
CONECT   23   22   24   24   42                                       
CONECT   24   23   23   25   44                                       
CONECT   25   24   26   26   28                                       
CONECT   26   25   25   27   45                                       
CONECT   27   22   22   26   43                                       
CONECT   28   25                                                      
CONECT   29    5                                                      
CONECT   30    4                                                      
CONECT   31    3                                                      
CONECT   32    2                                                      
CONECT   33    1                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   23                                                      
CONECT   43   27                                                      
CONECT   44   24                                                      
CONECT   45   26                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
