COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.725   0.037   0.647  1.00  0.00           O  
HETATM    2  C   UNL     1       2.980   0.020   1.611  1.00  0.00           C  
HETATM    3  N   UNL     1       3.358  -0.012   2.900  1.00  0.00           N  
HETATM    4  C   UNL     1       2.260  -0.024   3.751  1.00  0.00           C  
HETATM    5  C   UNL     1       2.168  -0.055   5.141  1.00  0.00           C  
HETATM    6  C   UNL     1       0.937  -0.061   5.755  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.235  -0.036   4.994  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.554  -0.043   5.663  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.645   0.665   5.299  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.627   0.374   6.163  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.182  -0.481   7.040  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.902  -0.767   6.757  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.157  -0.005   3.603  1.00  0.00           C  
HETATM   14  C   UNL     1       1.086   0.000   2.986  1.00  0.00           C  
HETATM   15  C   UNL     1       1.514   0.036   1.567  1.00  0.00           C  
HETATM   16  C   UNL     1       0.716   0.074   0.460  1.00  0.00           C  
HETATM   17  N   UNL     1       1.276   0.104  -0.780  1.00  0.00           N  
HETATM   18  C   UNL     1       0.459   0.144  -1.913  1.00  0.00           C  
HETATM   19  C   UNL     1       1.020   0.179  -3.176  1.00  0.00           C  
HETATM   20  C   UNL     1       0.222   0.214  -4.323  1.00  0.00           C  
HETATM   21  C   UNL     1       0.776   0.249  -5.748  1.00  0.00           C  
HETATM   22  S   UNL     1      -0.706  -0.194  -6.741  1.00  0.00           S  
HETATM   23  O   UNL     1      -0.736  -1.600  -6.944  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.810   0.682  -7.855  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.963   0.268  -5.481  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.145   0.223  -4.189  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.708   0.193  -2.909  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.923   0.153  -1.782  1.00  0.00           C  
HETATM   29  H   UNL     1       4.281  -0.025   3.199  1.00  0.00           H  
HETATM   30  H   UNL     1       3.067  -0.075   5.738  1.00  0.00           H  
HETATM   31  H   UNL     1       0.876  -0.085   6.833  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.626   0.783   6.138  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.263  -1.444   7.305  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.058   0.014   3.009  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.357   0.082   0.569  1.00  0.00           H  
HETATM   36  H   UNL     1       2.241   0.098  -0.877  1.00  0.00           H  
HETATM   37  H   UNL     1       2.095   0.177  -3.279  1.00  0.00           H  
HETATM   38  H   UNL     1       1.566  -0.489  -5.877  1.00  0.00           H  
HETATM   39  H   UNL     1       1.131   1.247  -6.003  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.774  -0.459  -5.454  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.348   1.271  -5.664  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.783   0.200  -2.804  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.377   0.129  -0.802  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   15                                       
CONECT    3    2    4   29                                            
CONECT    4    3    5    5   14                                       
CONECT    5    4    4    6   30                                       
CONECT    6    5    7    7   31                                       
CONECT    7    6    6    8   13                                       
CONECT    8    7    9   12   12                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   32                                       
CONECT   11   10   10   12                                            
CONECT   12    8    8   11   33                                       
CONECT   13    7   14   14   34                                       
CONECT   14    4   13   13   15                                       
CONECT   15    2   14   16   16                                       
CONECT   16   15   15   17   35                                       
CONECT   17   16   18   36                                            
CONECT   18   17   19   19   28                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19   21   26   26                                       
CONECT   21   20   22   38   39                                       
CONECT   22   21   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26   40   41                                       
CONECT   26   20   20   25   27                                       
CONECT   27   26   28   28   42                                       
CONECT   28   18   27   27   43                                       
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   27                                                      
CONECT   43   28                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
