COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.187   4.120  -0.485  1.00  0.00           O  
HETATM    2  S   UNL     1      -2.057   3.167  -0.123  1.00  0.00           S  
HETATM    3  O   UNL     1      -1.095   3.271  -1.164  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.752   3.407   1.243  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.707   1.532  -0.208  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.073   1.330  -0.186  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.585   0.041  -0.253  1.00  0.00           C  
HETATM    8  N   UNL     1      -5.966  -0.167  -0.231  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.503  -1.528  -0.302  1.00  0.00           C  
HETATM   10  S   UNL     1      -6.822  -2.140   1.376  1.00  0.00           S  
HETATM   11  C   UNL     1      -3.719  -1.043  -0.341  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.354  -0.834  -0.363  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.849   0.451  -0.302  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.359   0.675  -0.332  1.00  0.00           C  
HETATM   15  C   UNL     1       0.360  -0.675  -0.341  1.00  0.00           C  
HETATM   16  C   UNL     1       1.850  -0.451  -0.312  1.00  0.00           C  
HETATM   17  C   UNL     1       2.356   0.834  -0.376  1.00  0.00           C  
HETATM   18  C   UNL     1       3.721   1.042  -0.350  1.00  0.00           C  
HETATM   19  C   UNL     1       4.586  -0.041  -0.257  1.00  0.00           C  
HETATM   20  N   UNL     1       5.967   0.167  -0.230  1.00  0.00           N  
HETATM   21  C   UNL     1       6.505   1.527  -0.298  1.00  0.00           C  
HETATM   22  S   UNL     1       6.815   2.140   1.381  1.00  0.00           S  
HETATM   23  C   UNL     1       4.074  -1.331  -0.192  1.00  0.00           C  
HETATM   24  C   UNL     1       2.708  -1.532  -0.214  1.00  0.00           C  
HETATM   25  S   UNL     1       2.057  -3.167  -0.124  1.00  0.00           S  
HETATM   26  O   UNL     1       1.734  -3.395   1.241  1.00  0.00           O  
HETATM   27  O   UNL     1       1.110  -3.280  -1.177  1.00  0.00           O  
HETATM   28  O   UNL     1       3.193  -4.122  -0.462  1.00  0.00           O  
HETATM   29  H   UNL     1      -4.743   2.175  -0.117  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.569   0.590  -0.170  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.434  -1.522  -0.869  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.781  -2.178  -0.795  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.304  -3.377   1.160  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.114  -2.047  -0.393  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.681  -1.676  -0.432  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.094   1.234  -1.230  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.058   1.241   0.550  1.00  0.00           H  
HETATM   38  H   UNL     1       0.062  -1.251   0.535  1.00  0.00           H  
HETATM   39  H   UNL     1       0.093  -1.223  -1.245  1.00  0.00           H  
HETATM   40  H   UNL     1       1.683   1.675  -0.448  1.00  0.00           H  
HETATM   41  H   UNL     1       4.116   2.046  -0.401  1.00  0.00           H  
HETATM   42  H   UNL     1       6.570  -0.591  -0.165  1.00  0.00           H  
HETATM   43  H   UNL     1       7.438   1.521  -0.861  1.00  0.00           H  
HETATM   44  H   UNL     1       5.785   2.178  -0.794  1.00  0.00           H  
HETATM   45  H   UNL     1       7.298   3.377   1.168  1.00  0.00           H  
HETATM   46  H   UNL     1       4.744  -2.175  -0.121  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.935   5.054  -0.469  1.00  0.00           H  
HETATM   48  H   UNL     1       2.941  -5.056  -0.441  1.00  0.00           H  
CONECT    1    2   47                                                 
CONECT    2    3    3    4    4                                       
CONECT    2    5    1                                                 
CONECT    3    2    2                                                 
CONECT    4    2    2                                                 
CONECT    5    6    2   13   13                                       
CONECT    6    7    7    5   29                                       
CONECT    7    8    6    6   11                                       
CONECT    8    9    7   30                                            
CONECT    9    8   10   31   32                                       
CONECT   10    9   33                                                 
CONECT   11    7   12   12   34                                       
CONECT   12   11   11   13   35                                       
CONECT   13    5    5   12   14                                       
CONECT   14   13   15   36   37                                       
CONECT   15   14   16   38   39                                       
CONECT   16   15   17   17   24                                       
CONECT   17   16   16   18   40                                       
CONECT   18   17   19   19   41                                       
CONECT   19   18   18   23   20                                       
CONECT   20   19   21   42                                            
CONECT   21   20   22   43   44                                       
CONECT   22   21   45                                                 
CONECT   23   24   24   19   46                                       
CONECT   24   16   25   23   23                                       
CONECT   25   27   27   24   26                                       
CONECT   25   26   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   48                                                 
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47    1                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
