COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.718  -1.508   0.536  1.00  0.00           C  
HETATM    2  C   UNL     1       4.035  -1.120   0.395  1.00  0.00           C  
HETATM    3  C   UNL     1       4.340   0.172   0.006  1.00  0.00           C  
HETATM    4  S   UNL     1       6.024   0.660  -0.171  1.00  0.00           S  
HETATM    5  O   UNL     1       6.050   2.073  -0.023  1.00  0.00           O  
HETATM    6  O   UNL     1       6.785  -0.221   0.644  1.00  0.00           O  
HETATM    7  N   UNL     1       6.464   0.346  -1.736  1.00  0.00           N  
HETATM    8  C   UNL     1       3.329   1.083  -0.245  1.00  0.00           C  
HETATM    9  C   UNL     1       2.009   0.707  -0.109  1.00  0.00           C  
HETATM   10  C   UNL     1       1.694  -0.594   0.284  1.00  0.00           C  
HETATM   11  C   UNL     1       0.281  -1.003   0.432  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.061  -2.130   0.130  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.629  -0.127   0.903  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.250   1.248   1.268  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.980   2.202   0.324  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.439   1.840   0.218  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.313   2.822  -0.235  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.663   2.556  -0.366  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.510   3.523  -0.809  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.151   1.293  -0.043  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.477   1.018  -0.172  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.279   0.320   0.411  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.925   0.594   0.546  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.037  -0.504   1.067  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.309  -1.773   0.301  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.694  -2.917   0.974  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.944  -4.081   0.271  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.808  -4.101  -1.104  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.423  -2.957  -1.777  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.179  -1.791  -1.075  1.00  0.00           C  
HETATM   31  H   UNL     1       2.481  -2.518   0.836  1.00  0.00           H  
HETATM   32  H   UNL     1       4.828  -1.826   0.590  1.00  0.00           H  
HETATM   33  H   UNL     1       7.137   0.893  -2.170  1.00  0.00           H  
HETATM   34  H   UNL     1       6.048  -0.385  -2.219  1.00  0.00           H  
HETATM   35  H   UNL     1       3.574   2.090  -0.549  1.00  0.00           H  
HETATM   36  H   UNL     1       1.220   1.419  -0.305  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.545   1.451   2.297  1.00  0.00           H  
HETATM   38  H   UNL     1       0.827   1.374   1.161  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.890   3.220   0.703  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.524   2.146  -0.665  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.933   3.801  -0.487  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.622   3.538  -1.770  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.723   0.673  -1.041  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.655  -0.660   0.662  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.249  -0.666   2.124  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.800  -2.902   2.049  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.244  -4.975   0.797  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.003  -5.010  -1.653  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.317  -2.972  -2.852  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.883  -0.896  -1.602  1.00  0.00           H  
CONECT    1   10   10    2   31                                       
CONECT    2    1    3    3   32                                       
CONECT    3    2    2    8    4                                       
CONECT    4    3    7    5    5                                       
CONECT    4    6    6                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    4   33   34                                            
CONECT    8    9    9    3   35                                       
CONECT    9   10    8    8   36                                       
CONECT   10   11    1    1    9                                       
CONECT   11   13   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   24                                            
CONECT   14   15   13   37   38                                       
CONECT   15   16   14   39   40                                       
CONECT   16   17   15   23   23                                       
CONECT   17   18   18   16   41                                       
CONECT   18   19   17   17   20                                       
CONECT   19   18   42                                                 
CONECT   20   18   21   22   22                                       
CONECT   21   20   43                                                 
CONECT   22   20   20   23   44                                       
CONECT   23   16   16   22   24                                       
CONECT   24   23   13   25   45                                       
CONECT   25   24   30   30   26                                       
CONECT   26   25   27   27   46                                       
CONECT   27   26   26   28   47                                       
CONECT   28   29   29   27   48                                       
CONECT   29   30   28   28   49                                       
CONECT   30   25   25   29   50                                       
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
