COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.062  -0.100   3.402  1.00  0.00           C  
HETATM    2  C   UNL     1       6.079   0.512   2.000  1.00  0.00           C  
HETATM    3  C   UNL     1       4.912  -0.050   1.184  1.00  0.00           C  
HETATM    4  S   UNL     1       4.932   0.676  -0.478  1.00  0.00           S  
HETATM    5  O   UNL     1       4.615   2.060  -0.421  1.00  0.00           O  
HETATM    6  O   UNL     1       6.057   0.212  -1.212  1.00  0.00           O  
HETATM    7  N   UNL     1       3.634  -0.010  -1.244  1.00  0.00           N  
HETATM    8  C   UNL     1       2.353   0.166  -0.732  1.00  0.00           C  
HETATM    9  C   UNL     1       1.412  -0.874  -0.816  1.00  0.00           C  
HETATM   10  C   UNL     1       1.765  -2.120  -1.426  1.00  0.00           C  
HETATM   11  N   UNL     1       2.046  -3.108  -1.911  1.00  0.00           N  
HETATM   12  C   UNL     1       2.000   1.367  -0.133  1.00  0.00           C  
HETATM   13  C   UNL     1       0.728   1.544   0.376  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.209   0.530   0.295  1.00  0.00           C  
HETATM   15  C   UNL     1       0.122  -0.681  -0.295  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.821  -1.701  -0.370  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.146  -1.457   0.001  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.764  -0.280  -0.387  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.085  -0.047  -0.012  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.797   1.181  -0.393  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.255   2.047  -1.056  1.00  0.00           O  
HETATM   22  N   UNL     1      -6.079   1.313   0.021  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.836   2.517  -0.331  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.671   0.337   0.759  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.068  -0.758   1.111  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.781  -1.006   0.758  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.133  -2.184   1.137  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.840  -2.402   0.757  1.00  0.00           C  
HETATM   29  H   UNL     1       6.160  -1.183   3.327  1.00  0.00           H  
HETATM   30  H   UNL     1       6.893   0.300   3.983  1.00  0.00           H  
HETATM   31  H   UNL     1       5.122   0.146   3.895  1.00  0.00           H  
HETATM   32  H   UNL     1       5.981   1.595   2.075  1.00  0.00           H  
HETATM   33  H   UNL     1       7.019   0.265   1.507  1.00  0.00           H  
HETATM   34  H   UNL     1       5.010  -1.133   1.109  1.00  0.00           H  
HETATM   35  H   UNL     1       3.972   0.197   1.678  1.00  0.00           H  
HETATM   36  H   UNL     1       3.767  -0.534  -2.049  1.00  0.00           H  
HETATM   37  H   UNL     1       2.724   2.165  -0.063  1.00  0.00           H  
HETATM   38  H   UNL     1       0.463   2.482   0.841  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.200   0.680   0.697  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.559  -2.582  -0.681  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.227   0.450  -0.975  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.348   2.360  -1.280  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.569   2.725   0.448  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.153   3.361  -0.422  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.695   0.479   1.070  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.656  -2.924   1.725  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.346  -3.318   1.048  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    3    1   32   33                                       
CONECT    3    4    2   34   35                                       
CONECT    4    5    5    7    6                                       
CONECT    4    6    3                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    8    4   36                                            
CONECT    8    7    9    9   12                                       
CONECT    9   10    8    8   15                                       
CONECT   10   11   11   11    9                                       
CONECT   11   10   10   10                                            
CONECT   12    8   13   13   37                                       
CONECT   13   12   12   14   38                                       
CONECT   14   15   15   13   39                                       
CONECT   15   16    9   14   14                                       
CONECT   16   15   17   40                                            
CONECT   17   16   18   18   28                                       
CONECT   18   17   17   19   41                                       
CONECT   19   18   20   26   26                                       
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   24                                            
CONECT   23   22   42   43   44                                       
CONECT   24   22   25   25   45                                       
CONECT   25   26   24   24                                            
CONECT   26   19   19   27   25                                       
CONECT   27   28   28   26   46                                       
CONECT   28   17   27   27   47                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    7                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
