COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.441   0.408   0.094  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.038   0.994  -0.983  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.841   1.123  -1.252  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.831   1.693   0.160  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.969  -0.098   0.879  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.562  -1.276   0.541  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.933  -2.177  -0.316  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.062  -0.700  -0.513  1.00  0.00           C  
HETATM    9  C   UNL     1       5.662   0.094   0.658  1.00  0.00           C  
HETATM   10  C   UNL     1       7.142   0.240   0.415  1.00  0.00           C  
HETATM   11  C   UNL     1       7.617  -0.879  -0.476  1.00  0.00           C  
HETATM   12  C   UNL     1       5.191  -0.525   1.734  1.00  0.00           C  
HETATM   13  C   UNL     1       1.156   0.545  -0.181  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.202   0.792  -0.696  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.058   1.422   0.684  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.702   0.216   0.358  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.706  -1.906  -0.839  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.798  -0.383  -1.039  1.00  0.00           C  
HETATM   19  N   UNL     1       4.745   0.591  -0.214  1.00  0.00           N  
HETATM   20  N   UNL     1       2.382   0.806  -0.616  1.00  0.00           N  
HETATM   21  O   UNL     1       5.139   1.269  -1.393  1.00  0.00           O  
HETATM   22  O   UNL     1       6.834  -1.709  -0.873  1.00  0.00           O  
HETATM   23  O   UNL     1       8.910  -0.953  -0.828  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.627  -0.927  -0.122  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.646   1.200   1.097  1.00  0.00           O  
HETATM   26  O   UNL     1       0.996  -0.056   0.864  1.00  0.00           O  
HETATM   27  S   UNL     1       3.427  -0.449   1.588  1.00  0.00           S  
HETATM   28  S   UNL     1      -1.560   0.493  -0.132  1.00  0.00           S  
HETATM   29  H   UNL     1      -0.021   2.079  -1.085  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.006   0.535  -1.971  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.726   0.660  -2.232  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.740   2.204  -1.347  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.336   2.618   0.415  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.469   0.590   1.544  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.536  -1.515   0.943  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.426  -3.104  -0.567  1.00  0.00           H  
HETATM   37  H   UNL     1       7.339   1.197  -0.067  1.00  0.00           H  
HETATM   38  H   UNL     1       7.672   0.197   1.367  1.00  0.00           H  
HETATM   39  H   UNL     1       5.763  -0.980   2.529  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.534   2.130   1.347  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.231  -2.614  -1.502  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.298  -1.072  -1.704  1.00  0.00           H  
HETATM   43  H   UNL     1       4.399   1.577  -1.935  1.00  0.00           H  
HETATM   44  H   UNL     1       9.168  -1.688  -1.401  1.00  0.00           H  
CONECT    1   27   20   20   19                                       
CONECT    2   28   13   29   30                                       
CONECT    3   14   28   31   32                                       
CONECT    4   14   14   15   33                                       
CONECT    5    6    6   16   34                                       
CONECT    6    5    5    7   35                                       
CONECT    7    6   17   17   36                                       
CONECT    8   16   18   18   17                                       
CONECT    9   19   10   12   12                                       
CONECT   10   11    9   37   38                                       
CONECT   11   10   22   22   23                                       
CONECT   12    9    9   27   39                                       
CONECT   13   20    2   26   26                                       
CONECT   14    3    4    4   18                                       
CONECT   15    4   16   16   40                                       
CONECT   16   15   15    5    8                                       
CONECT   17    7    7    8   41                                       
CONECT   18    8    8   14   42                                       
CONECT   19   21    9    1                                            
CONECT   20    1    1   13                                            
CONECT   21   19   43                                                 
CONECT   22   11   11                                                 
CONECT   23   11   44                                                 
CONECT   24   28   28                                                 
CONECT   25   28   28                                                 
CONECT   26   13   13                                                 
CONECT   27   12    1                                                 
CONECT   28    2    3   24   24                                       
CONECT   28   25   25                                                 
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
