COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.534   0.355   0.768  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.504  -0.604   0.519  1.00  0.00           C  
HETATM    3  O   UNL     1      -5.067  -1.273   1.562  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.296  -1.959   1.300  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.139  -2.741  -0.011  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.841  -1.810  -1.056  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.887  -0.877  -0.789  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.294  -0.190  -1.839  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.326   0.763  -1.583  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.948   1.036  -0.282  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.722   2.260   0.039  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.719   3.130  -1.084  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.941   2.708   1.369  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.253   1.494   0.039  1.00  0.00           N  
HETATM   15  C   UNL     1       0.522   1.361  -1.202  1.00  0.00           C  
HETATM   16  C   UNL     1       1.917   1.955  -0.975  1.00  0.00           C  
HETATM   17  C   UNL     1       0.301   0.939   1.282  1.00  0.00           C  
HETATM   18  C   UNL     1       1.697   1.535   1.505  1.00  0.00           C  
HETATM   19  N   UNL     1       2.469   1.396   0.267  1.00  0.00           N  
HETATM   20  S   UNL     1       3.937   0.630   0.271  1.00  0.00           S  
HETATM   21  O   UNL     1       4.650   1.124  -0.855  1.00  0.00           O  
HETATM   22  O   UNL     1       4.430   0.714   1.601  1.00  0.00           O  
HETATM   23  C   UNL     1       3.635  -1.077  -0.041  1.00  0.00           C  
HETATM   24  C   UNL     1       3.406  -1.944   1.014  1.00  0.00           C  
HETATM   25  F   UNL     1       3.412  -1.481   2.283  1.00  0.00           F  
HETATM   26  C   UNL     1       3.168  -3.286   0.768  1.00  0.00           C  
HETATM   27  C   UNL     1       3.161  -3.760  -0.531  1.00  0.00           C  
HETATM   28  C   UNL     1       3.390  -2.896  -1.584  1.00  0.00           C  
HETATM   29  C   UNL     1       3.622  -1.552  -1.341  1.00  0.00           C  
HETATM   30  F   UNL     1       3.840  -0.707  -2.372  1.00  0.00           F  
HETATM   31  H   UNL     1      -3.240   0.573   1.784  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.513  -2.648   2.116  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.106  -1.236   1.203  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.325  -3.460   0.085  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.067  -3.265  -0.239  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.588  -0.402  -2.856  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.866   1.297  -2.402  1.00  0.00           H  
HETATM   38  H   UNL     1       0.611   0.308  -1.467  1.00  0.00           H  
HETATM   39  H   UNL     1       0.019   1.899  -2.007  1.00  0.00           H  
HETATM   40  H   UNL     1       2.566   1.697  -1.812  1.00  0.00           H  
HETATM   41  H   UNL     1       1.844   3.040  -0.890  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.346   1.201   2.120  1.00  0.00           H  
HETATM   43  H   UNL     1       0.371  -0.145   1.200  1.00  0.00           H  
HETATM   44  H   UNL     1       1.608   2.589   1.765  1.00  0.00           H  
HETATM   45  H   UNL     1       2.200   0.997   2.309  1.00  0.00           H  
HETATM   46  H   UNL     1       2.990  -3.962   1.590  1.00  0.00           H  
HETATM   47  H   UNL     1       2.977  -4.807  -0.722  1.00  0.00           H  
HETATM   48  H   UNL     1       3.385  -3.267  -2.598  1.00  0.00           H  
CONECT    1    2    2   10   31                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   32   33                                       
CONECT    5    4    6   34   35                                       
CONECT    6    5    7                                                 
CONECT    7    2    6    8    8                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8   10   10   37                                       
CONECT   10    1    9    9   11                                       
CONECT   11   10   14   12   12                                       
CONECT   11   13   13                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   17   15                                            
CONECT   15   14   16   38   39                                       
CONECT   16   15   19   40   41                                       
CONECT   17   14   18   42   43                                       
CONECT   18   17   19   44   45                                       
CONECT   19   16   18   20                                            
CONECT   20   19   22   22   21                                       
CONECT   20   21   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24   24   29                                       
CONECT   24   23   23   25   26                                       
CONECT   25   24                                                      
CONECT   26   24   27   27   46                                       
CONECT   27   26   26   28   47                                       
CONECT   28   27   29   29   48                                       
CONECT   29   23   28   28   30                                       
CONECT   30   29                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
