COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.166   1.368  -1.103  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.116   0.274  -0.034  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.213   0.468   0.918  1.00  0.00           N  
HETATM    4  S   UNL     1      -5.639  -0.349   0.714  1.00  0.00           S  
HETATM    5  O   UNL     1      -5.333  -1.760   0.885  1.00  0.00           O  
HETATM    6  O   UNL     1      -6.547   0.148   1.737  1.00  0.00           O  
HETATM    7  O   UNL     1      -6.100  -0.042  -0.631  1.00  0.00           O1-
HETATM    8  C   UNL     1      -1.774   0.357   0.704  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.652  -0.747   1.602  1.00  0.00           O  
HETATM   10  C   UNL     1      -0.644   0.312  -0.331  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.880   1.404  -1.376  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.116   1.169  -2.048  1.00  0.00           O  
HETATM   13  C   UNL     1       0.262   1.389  -2.394  1.00  0.00           C  
HETATM   14  O   UNL     1       0.108   2.485  -3.298  1.00  0.00           O  
HETATM   15  O   UNL     1       0.609   0.535   0.320  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.009   2.645  -0.481  1.00  0.00           O  
HETATM   17  S   UNL     1       4.140   1.833   1.095  1.00  0.00           S  
HETATM   18  C   UNL     1       1.544  -0.376  -0.261  1.00  0.00           C  
HETATM   19  C   UNL     1       2.962  -0.022   0.208  1.00  0.00           C  
HETATM   20  O   UNL     1       3.222   1.364  -0.025  1.00  0.00           O  
HETATM   21  C   UNL     1       3.942  -0.881  -0.605  1.00  0.00           C  
HETATM   22  O   UNL     1       5.214  -0.909   0.044  1.00  0.00           O  
HETATM   23  C   UNL     1       3.382  -2.278  -0.691  1.00  0.00           C  
HETATM   24  C   UNL     1       2.143  -2.564  -0.336  1.00  0.00           C  
HETATM   25  O   UNL     1       1.231  -1.703   0.149  1.00  0.00           O  
HETATM   26  C   UNL     1       1.717  -3.965  -0.486  1.00  0.00           C  
HETATM   27  O   UNL     1       5.460   1.301   0.794  1.00  0.00           O  
HETATM   28  O   UNL     1       4.111   3.287   1.068  1.00  0.00           O  
HETATM   29  O   UNL     1       3.594   1.291   2.329  1.00  0.00           O1-
HETATM   30  O   UNL     1       0.581  -4.296  -0.175  1.00  0.00           O1-
HETATM   31  O   UNL     1       2.500  -4.799  -0.921  1.00  0.00           O  
HETATM   32  H   UNL     1      -4.127   1.330  -1.615  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.212  -0.703  -0.507  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.104   1.074   1.667  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.722   1.291   1.263  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.389  -0.684   2.225  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.633  -0.664  -0.816  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.915   2.375  -0.884  1.00  0.00           H  
HETATM   39  H   UNL     1       0.240   0.453  -2.951  1.00  0.00           H  
HETATM   40  H   UNL     1       1.215   1.480  -1.872  1.00  0.00           H  
HETATM   41  H   UNL     1       0.847   2.439  -3.921  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.051   3.306  -1.186  1.00  0.00           H  
HETATM   43  H   UNL     1       1.492  -0.308  -1.347  1.00  0.00           H  
HETATM   44  H   UNL     1       3.066  -0.245   1.269  1.00  0.00           H  
HETATM   45  H   UNL     1       4.049  -0.465  -1.607  1.00  0.00           H  
HETATM   46  H   UNL     1       5.788  -1.474  -0.490  1.00  0.00           H  
HETATM   47  H   UNL     1       4.018  -3.072  -1.054  1.00  0.00           H  
CONECT    1   12    2   16   32                                       
CONECT    2    8    1    3   33                                       
CONECT    3    2    4   34                                            
CONECT    4    3    5    5    6                                       
CONECT    4    6    7                                                 
CONECT    5    4    4                                                 
CONECT    6    4    4                                                 
CONECT    7    4                                                      
CONECT    8   10    2    9   35                                       
CONECT    9    8   36                                                 
CONECT   10   11   15    8   37                                       
CONECT   11   10   12   13   38                                       
CONECT   12   11    1                                                 
CONECT   13   11   14   39   40                                       
CONECT   14   13   41                                                 
CONECT   15   10   18                                                 
CONECT   16    1   42                                                 
CONECT   17   20   27   27   28                                       
CONECT   17   28   29                                                 
CONECT   18   15   19   25   43                                       
CONECT   19   18   21   20   44                                       
CONECT   20   19   17                                                 
CONECT   21   19   23   22   45                                       
CONECT   22   21   46                                                 
CONECT   23   21   24   24   47                                       
CONECT   24   25   23   23   26                                       
CONECT   25   18   24                                                 
CONECT   26   24   30   31   31                                       
CONECT   27   17   17                                                 
CONECT   28   17   17                                                 
CONECT   29   17                                                      
CONECT   30   26                                                      
CONECT   31   26   26                                                 
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
