COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.801   0.211  -0.008  1.00  0.00           C  
HETATM    2  O   UNL     1      -6.055   0.724  -0.085  1.00  0.00           O  
HETATM    3  N   UNL     1      -3.764   1.029  -0.027  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.523   0.571   0.046  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.281  -0.811   0.148  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.369  -1.692   0.170  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.633  -1.167   0.097  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.284   1.176   0.049  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.345   0.184   0.148  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.938  -0.983   0.206  1.00  0.00           N  
HETATM   11  C   UNL     1      -6.169   2.145  -0.185  1.00  0.00           C  
HETATM   12  N   UNL     1       1.012   0.383   0.182  1.00  0.00           N1+
HETATM   13  C   UNL     1       1.811  -0.648   0.436  1.00  0.00           C  
HETATM   14  C   UNL     1       3.178  -0.486   0.477  1.00  0.00           C  
HETATM   15  C   UNL     1       3.720   0.778   0.249  1.00  0.00           C  
HETATM   16  O   UNL     1       5.062   0.975   0.282  1.00  0.00           O  
HETATM   17  C   UNL     1       2.850   1.837  -0.014  1.00  0.00           C  
HETATM   18  C   UNL     1       1.495   1.600  -0.045  1.00  0.00           C  
HETATM   19  C   UNL     1       1.215  -2.010   0.681  1.00  0.00           C  
HETATM   20  C   UNL     1       4.077  -1.660   0.766  1.00  0.00           C  
HETATM   21  C   UNL     1       3.389   3.221  -0.266  1.00  0.00           C  
HETATM   22  S   UNL     1       0.890  -2.823  -0.908  1.00  0.00           S  
HETATM   23  C   UNL     1       5.771   0.815  -0.948  1.00  0.00           C  
HETATM   24  H   UNL     1      -3.217  -2.758   0.248  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.493  -1.820   0.115  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.110   2.129  -0.010  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.717   2.609   0.692  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.656   2.489  -1.083  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.222   2.422  -0.239  1.00  0.00           H  
HETATM   30  H   UNL     1       0.815   2.413  -0.253  1.00  0.00           H  
HETATM   31  H   UNL     1       1.913  -2.613   1.262  1.00  0.00           H  
HETATM   32  H   UNL     1       4.349  -2.149  -0.170  1.00  0.00           H  
HETATM   33  H   UNL     1       4.979  -1.312   1.270  1.00  0.00           H  
HETATM   34  H   UNL     1       3.554  -2.369   1.407  1.00  0.00           H  
HETATM   35  H   UNL     1       3.573   3.350  -1.333  1.00  0.00           H  
HETATM   36  H   UNL     1       2.661   3.961   0.068  1.00  0.00           H  
HETATM   37  H   UNL     1       4.321   3.355   0.282  1.00  0.00           H  
HETATM   38  H   UNL     1       6.832   0.999  -0.782  1.00  0.00           H  
HETATM   39  H   UNL     1       5.633  -0.201  -1.318  1.00  0.00           H  
HETATM   40  H   UNL     1       5.389   1.524  -1.682  1.00  0.00           H  
HETATM   41  H   UNL     1       0.281  -1.904   1.232  1.00  0.00           H  
HETATM   42  H   UNL     1       0.369  -4.008  -0.540  1.00  0.00           H  
CONECT    1    2    3    3    7                                       
CONECT    2    1   11                                                 
CONECT    3    1    1    4                                            
CONECT    4    3    5    5    8                                       
CONECT    5    4    4    6   10                                       
CONECT    6    5    7    7   24                                       
CONECT    7    1    6    6   25                                       
CONECT    8    4    9   26                                            
CONECT    9    8   10   10   12                                       
CONECT   10    5    9    9                                            
CONECT   11    2   27   28   29                                       
CONECT   12    9   13   13   18                                       
CONECT   13   12   12   14   19                                       
CONECT   14   13   15   15   20                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15   23                                                 
CONECT   17   15   18   18   21                                       
CONECT   18   12   17   17   30                                       
CONECT   19   13   22   31   41                                       
CONECT   20   14   32   33   34                                       
CONECT   21   17   35   36   37                                       
CONECT   22   19   42                                                 
CONECT   23   16   38   39   40                                       
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   18                                                      
CONECT   31   19                                                      
CONECT   32   20                                                      
CONECT   33   20                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   19                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
