COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.040  -0.654  -1.979  1.00  0.00           C  
HETATM    2  C   UNL     1       1.283  -0.973  -2.493  1.00  0.00           C  
HETATM    3  C   UNL     1       1.692  -0.437  -3.699  1.00  0.00           C  
HETATM    4  C   UNL     1       0.852   0.419  -4.396  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.394   0.737  -3.878  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.800   0.195  -2.674  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.477  -1.339  -0.440  1.00  0.00           S  
HETATM    8  O   UNL     1       0.296  -2.517  -0.262  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.897  -1.281  -0.450  1.00  0.00           O  
HETATM   10  O   UNL     1       1.251   0.947  -5.583  1.00  0.00           O  
HETATM   11  C   UNL     1       0.184   1.777  -6.045  1.00  0.00           C  
HETATM   12  N   UNL     1       0.007  -0.297   0.752  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.780   0.826   1.280  1.00  0.00           C  
HETATM   14  C   UNL     1       0.059   1.492   2.390  1.00  0.00           C  
HETATM   15  C   UNL     1       1.034   0.361   2.814  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.079   0.321   1.853  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.338  -0.862   1.816  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.953   1.185   2.406  1.00  0.00           N  
HETATM   19  O   UNL     1      -4.173   0.711   2.944  1.00  0.00           O  
HETATM   20  C   UNL     1       1.299  -0.344   1.461  1.00  0.00           C  
HETATM   21  N   UNL     1       2.275   0.917   3.369  1.00  0.00           N  
HETATM   22  O   UNL     1       2.810  -0.085   4.290  1.00  0.00           O  
HETATM   23  C   UNL     1       4.018   0.453   4.832  1.00  0.00           C  
HETATM   24  H   UNL     1       1.936  -1.640  -1.950  1.00  0.00           H  
HETATM   25  H   UNL     1       2.663  -0.686  -4.100  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.049   1.405  -4.418  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.771   0.441  -2.271  1.00  0.00           H  
HETATM   28  H   UNL     1       0.460   2.225  -7.000  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.715   1.175  -6.172  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.005   2.565  -5.316  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.980   1.544   0.485  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.573   1.789   3.227  1.00  0.00           H  
HETATM   33  H   UNL     1       0.608   2.348   1.998  1.00  0.00           H  
HETATM   34  H   UNL     1       0.561  -0.316   3.523  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.745   2.133   2.435  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.647   1.482   3.285  1.00  0.00           H  
HETATM   37  H   UNL     1       2.061   0.191   0.896  1.00  0.00           H  
HETATM   38  H   UNL     1       1.604  -1.378   1.625  1.00  0.00           H  
HETATM   39  H   UNL     1       2.011   1.714   3.929  1.00  0.00           H  
HETATM   40  H   UNL     1       4.455  -0.262   5.527  1.00  0.00           H  
HETATM   41  H   UNL     1       4.722   0.651   4.023  1.00  0.00           H  
HETATM   42  H   UNL     1       3.798   1.382   5.357  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   24                                       
CONECT    3    2    4    4   25                                       
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   26                                       
CONECT    6    1    5    5   27                                       
CONECT    7    1    8    8    9                                       
CONECT    7    9   12                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    4   11                                                 
CONECT   11   10   28   29   30                                       
CONECT   12    7   13   20                                            
CONECT   13   12   14   16   31                                       
CONECT   14   13   15   32   33                                       
CONECT   15   14   20   21   34                                       
CONECT   16   13   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   35                                            
CONECT   19   18   36                                                 
CONECT   20   12   15   37   38                                       
CONECT   21   15   22   39                                            
CONECT   22   21   23                                                 
CONECT   23   22   40   41   42                                       
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
