COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.812  -1.029   0.406  1.00  0.00           O  
HETATM    2  S   UNL     1       3.999  -0.354  -0.544  1.00  0.00           S  
HETATM    3  O   UNL     1       4.399  -0.071  -1.878  1.00  0.00           O  
HETATM    4  C   UNL     1       3.471   1.169   0.190  1.00  0.00           C  
HETATM    5  C   UNL     1       4.098   2.325   0.561  1.00  0.00           C  
HETATM    6  C   UNL     1       3.360   3.354   1.127  1.00  0.00           C  
HETATM    7  N   UNL     1       2.533  -1.154  -0.615  1.00  0.00           N  
HETATM    8  C   UNL     1       1.653  -0.342  -0.115  1.00  0.00           C  
HETATM    9  C   UNL     1       2.094   0.982   0.361  1.00  0.00           C  
HETATM   10  C   UNL     1       1.363   2.033   0.935  1.00  0.00           C  
HETATM   11  C   UNL     1       1.997   3.197   1.308  1.00  0.00           C  
HETATM   12  C   UNL     1       0.234  -0.737  -0.024  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.837  -0.261  -0.903  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.686   0.523  -1.821  1.00  0.00           O  
HETATM   15  N   UNL     1      -2.010  -0.816  -0.550  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.766  -1.699   0.597  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.140  -3.139   0.242  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.203  -3.655  -0.852  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.008  -4.022   1.485  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.285  -1.607   0.886  1.00  0.00           C  
HETATM   21  O   UNL     1       0.386  -2.250   1.857  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.303  -0.581  -1.196  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.938   0.656  -0.614  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.678   0.570   0.550  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.261   1.704   1.084  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.775   1.877  -1.241  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.357   3.011  -0.707  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.102   2.925   0.454  1.00  0.00           C  
HETATM   29  H   UNL     1       5.162   2.436   0.416  1.00  0.00           H  
HETATM   30  H   UNL     1       3.845   4.272   1.424  1.00  0.00           H  
HETATM   31  H   UNL     1       0.298   1.929   1.083  1.00  0.00           H  
HETATM   32  H   UNL     1       1.422   3.998   1.748  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.342  -1.362   1.459  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.169  -3.170  -0.117  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.174  -3.625  -0.493  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.470  -4.682  -1.104  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.298  -3.027  -1.737  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.979  -3.991   1.844  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.675  -3.654   2.264  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.274  -5.048   1.233  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.155  -0.443  -2.267  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.955  -1.438  -1.027  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.802  -0.383   1.042  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.840   1.637   1.993  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.193   1.945  -2.149  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.229   3.966  -1.197  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.558   3.811   0.870  1.00  0.00           H  
HETATM   48  H   UNL     1       1.347  -2.146   1.870  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    7                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    9    9                                       
CONECT    5    4    6    6   29                                       
CONECT    6    5    5   30   11                                       
CONECT    7    2    8    8                                            
CONECT    8    7    7    9   12                                       
CONECT    9    8    4    4   10                                       
CONECT   10    9   11   11   31                                       
CONECT   11   10   10    6   32                                       
CONECT   12    8   13   20   20                                       
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   22                                            
CONECT   16   15   20   33   17                                       
CONECT   17   16   19   34   18                                       
CONECT   18   17   35   36   37                                       
CONECT   19   17   38   39   40                                       
CONECT   20   16   12   12   21                                       
CONECT   21   20   48                                                 
CONECT   22   15   41   42   23                                       
CONECT   23   22   26   24   24                                       
CONECT   24   23   23   43   25                                       
CONECT   25   24   28   28   44                                       
CONECT   26   23   45   27   27                                       
CONECT   27   26   26   46   28                                       
CONECT   28   25   25   27   47                                       
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   21                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
