COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.732   2.131  -0.449  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.750   3.834  -0.001  1.00  0.00           C  
HETATM    3  S   UNL     1      -5.174   2.127   0.212  1.00  0.00           S  
HETATM    4  C   UNL     1      -3.382   2.269  -0.025  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.737   0.890   0.126  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.247   1.007  -0.071  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.377  -0.160   0.167  1.00  0.00           C  
HETATM    8  N   UNL     1       0.990  -0.121   0.147  1.00  0.00           N  
HETATM    9  O   UNL     1       6.171   2.775  -0.511  1.00  0.00           O  
HETATM   10  C   UNL     1       4.179  -0.214  -1.086  1.00  0.00           C  
HETATM   11  C   UNL     1       4.978   0.887  -1.329  1.00  0.00           C  
HETATM   12  C   UNL     1       5.385   1.692  -0.275  1.00  0.00           C  
HETATM   13  C   UNL     1       4.990   1.389   1.020  1.00  0.00           C  
HETATM   14  C   UNL     1       4.192   0.287   1.257  1.00  0.00           C  
HETATM   15  C   UNL     1       3.782  -0.511   0.204  1.00  0.00           C  
HETATM   16  C   UNL     1       2.911  -1.713   0.466  1.00  0.00           C  
HETATM   17  C   UNL     1       1.461  -1.307   0.393  1.00  0.00           C  
HETATM   18  C   UNL     1       0.262  -2.190   0.590  1.00  0.00           C  
HETATM   19  O   UNL     1       0.255  -3.377   0.840  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.816  -1.371   0.432  1.00  0.00           N1+
HETATM   21  C   UNL     1      -2.221  -1.772   0.536  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.539  -2.772  -0.545  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.681  -3.115  -1.323  1.00  0.00           O  
HETATM   24  H   UNL     1       0.227   2.207  -0.576  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.833   3.871   0.122  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.278   4.473   0.745  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.486   4.185  -0.999  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.177   2.658  -1.022  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.968   2.947   0.722  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.941   0.500   1.123  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.150   0.212  -0.621  1.00  0.00           H  
HETATM   32  H   UNL     1       5.678   3.589  -0.682  1.00  0.00           H  
HETATM   33  H   UNL     1       3.861  -0.841  -1.906  1.00  0.00           H  
HETATM   34  H   UNL     1       5.284   1.120  -2.338  1.00  0.00           H  
HETATM   35  H   UNL     1       5.307   2.014   1.842  1.00  0.00           H  
HETATM   36  H   UNL     1       3.884   0.050   2.265  1.00  0.00           H  
HETATM   37  H   UNL     1       3.112  -2.478  -0.284  1.00  0.00           H  
HETATM   38  H   UNL     1       3.128  -2.110   1.457  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.399  -2.224   1.513  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.858  -0.896   0.420  1.00  0.00           H  
HETATM   41  O   UNL     1      -3.777  -3.282  -0.644  1.00  0.00           O  
HETATM   42  H   UNL     1      -3.934  -3.921  -1.354  1.00  0.00           H  
CONECT    1    6    6   24                                            
CONECT    2    3   25   26   27                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   28   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5    1    1    7                                       
CONECT    7    6    8   20   20                                       
CONECT    8    7   17   17                                            
CONECT    9   12   32                                                 
CONECT   10   15   11   11   33                                       
CONECT   11   10   10   12   34                                       
CONECT   12   13   13   11    9                                       
CONECT   13   14   12   12   35                                       
CONECT   14   15   15   13   36                                       
CONECT   15   16   14   14   10                                       
CONECT   16   17   15   37   38                                       
CONECT   17    8    8   16   18                                       
CONECT   18   20   17   19   19                                       
CONECT   19   18   18                                                 
CONECT   20    7    7   21   18                                       
CONECT   21   22   20   39   40                                       
CONECT   22   23   23   21   41                                       
CONECT   23   22   22                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22   42                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
