COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.705   1.580   1.782  1.00  0.00           O  
HETATM    2  S   UNL     1       0.187   0.650   0.841  1.00  0.00           S  
HETATM    3  O   UNL     1      -0.010  -0.713   1.190  1.00  0.00           O  
HETATM    4  N   UNL     1      -1.335   1.211   0.508  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.673   2.625   0.715  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.261   3.188  -0.583  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.441   2.317  -1.023  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.952   0.892  -1.291  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.371   0.305  -0.007  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.763  -1.043  -0.300  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.786  -1.124  -1.006  1.00  0.00           O  
HETATM   12  O   UNL     1      -2.307  -2.152   0.225  1.00  0.00           O  
HETATM   13  C   UNL     1      -1.669  -3.416  -0.100  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.424  -4.558   0.583  1.00  0.00           C  
HETATM   15  C   UNL     1       1.073   0.781  -0.737  1.00  0.00           C  
HETATM   16  C   UNL     1       2.488   0.294  -0.560  1.00  0.00           C  
HETATM   17  C   UNL     1       2.791  -1.039  -0.766  1.00  0.00           C  
HETATM   18  C   UNL     1       4.089  -1.486  -0.604  1.00  0.00           C  
HETATM   19  C   UNL     1       5.084  -0.600  -0.236  1.00  0.00           C  
HETATM   20  C   UNL     1       4.781   0.733  -0.031  1.00  0.00           C  
HETATM   21  C   UNL     1       3.484   1.181  -0.198  1.00  0.00           C  
HETATM   22  H   UNL     1      -2.408   2.712   1.516  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.775   3.181   0.983  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.605   4.208  -0.414  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.497   3.184  -1.360  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.194   2.301  -0.235  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.876   2.729  -1.934  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.788   0.278  -1.627  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.181   0.910  -2.062  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.163   0.198   0.734  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.685  -3.564  -1.180  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.637  -3.402   0.250  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.945  -5.507   0.339  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.408  -4.410   1.663  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.456  -4.572   0.233  1.00  0.00           H  
HETATM   36  H   UNL     1       0.570   0.172  -1.488  1.00  0.00           H  
HETATM   37  H   UNL     1       1.085   1.821  -1.062  1.00  0.00           H  
HETATM   38  H   UNL     1       2.013  -1.732  -1.053  1.00  0.00           H  
HETATM   39  H   UNL     1       4.325  -2.528  -0.764  1.00  0.00           H  
HETATM   40  H   UNL     1       6.098  -0.949  -0.109  1.00  0.00           H  
HETATM   41  H   UNL     1       5.559   1.425   0.257  1.00  0.00           H  
HETATM   42  H   UNL     1       3.248   2.222  -0.038  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   15                                                 
CONECT    3    2    2                                                 
CONECT    4    5    2    9                                            
CONECT    5    6    4   22   23                                       
CONECT    6    7    5   24   25                                       
CONECT    7    6    8   26   27                                       
CONECT    8    7    9   28   29                                       
CONECT    9    8    4   10   30                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13                                                 
CONECT   13   12   14   31   32                                       
CONECT   14   13   33   34   35                                       
CONECT   15    2   16   36   37                                       
CONECT   16   21   15   17   17                                       
CONECT   17   16   16   18   38                                       
CONECT   18   19   19   17   39                                       
CONECT   19   20   18   18   40                                       
CONECT   20   21   21   19   41                                       
CONECT   21   20   20   16   42                                       
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
