COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.334   1.414  -0.287  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.464   0.213  -0.280  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.686  -0.330  -0.163  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.806   0.586  -0.048  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.106  -0.210   0.076  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.096  -1.003   1.385  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.296   0.752   0.072  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.254  -0.676  -0.410  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.996   0.188  -0.528  1.00  0.00           C  
HETATM   10  C   UNL     1       0.232  -0.715  -0.660  1.00  0.00           C  
HETATM   11  C   UNL     1       1.489   0.149  -0.778  1.00  0.00           C  
HETATM   12  C   UNL     1       2.718  -0.754  -0.910  1.00  0.00           C  
HETATM   13  C   UNL     1       3.996   0.087  -1.092  1.00  0.00           C  
HETATM   14  N   UNL     1       3.812   1.395  -0.444  1.00  0.00           N  
HETATM   15  C   UNL     1       4.746   1.547   0.506  1.00  0.00           C  
HETATM   16  O   UNL     1       4.828   2.541   1.202  1.00  0.00           O  
HETATM   17  S   UNL     1       3.038  -1.652   0.662  1.00  0.00           S  
HETATM   18  C   UNL     1       4.846  -1.831   0.372  1.00  0.00           C  
HETATM   19  C   UNL     1       5.205  -0.525  -0.374  1.00  0.00           C  
HETATM   20  N   UNL     1       5.580   0.505   0.619  1.00  0.00           N  
HETATM   21  H   UNL     1      -5.676   1.210   0.837  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.850   1.219  -0.934  1.00  0.00           H  
HETATM   23  H   UNL     1      -7.192  -0.898  -0.765  1.00  0.00           H  
HETATM   24  H   UNL     1      -8.022  -1.570   1.473  1.00  0.00           H  
HETATM   25  H   UNL     1      -6.248  -1.688   1.388  1.00  0.00           H  
HETATM   26  H   UNL     1      -7.010  -0.315   2.226  1.00  0.00           H  
HETATM   27  H   UNL     1      -8.210   1.440   0.913  1.00  0.00           H  
HETATM   28  H   UNL     1      -8.303   1.317  -0.860  1.00  0.00           H  
HETATM   29  H   UNL     1      -9.222   0.184   0.160  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.175  -1.314   0.470  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.353  -1.297  -1.301  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.075   0.825  -1.408  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.897   0.808   0.363  1.00  0.00           H  
HETATM   34  H   UNL     1       0.310  -1.353   0.221  1.00  0.00           H  
HETATM   35  H   UNL     1       0.133  -1.336  -1.551  1.00  0.00           H  
HETATM   36  H   UNL     1       1.411   0.787  -1.658  1.00  0.00           H  
HETATM   37  H   UNL     1       1.588   0.770   0.113  1.00  0.00           H  
HETATM   38  H   UNL     1       2.594  -1.453  -1.737  1.00  0.00           H  
HETATM   39  H   UNL     1       4.214   0.219  -2.152  1.00  0.00           H  
HETATM   40  H   UNL     1       3.126   2.043  -0.668  1.00  0.00           H  
HETATM   41  H   UNL     1       5.392  -1.901   1.313  1.00  0.00           H  
HETATM   42  H   UNL     1       5.041  -2.701  -0.256  1.00  0.00           H  
HETATM   43  H   UNL     1       6.022  -0.703  -1.074  1.00  0.00           H  
HETATM   44  H   UNL     1       6.311   0.436   1.253  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    8    3    1    1                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   21   22                                       
CONECT    5    6    4    7   23                                       
CONECT    6    5   24   25   26                                       
CONECT    7    5   27   28   29                                       
CONECT    8    9    2   30   31                                       
CONECT    9   10    8   32   33                                       
CONECT   10   11    9   34   35                                       
CONECT   11   12   10   36   37                                       
CONECT   12   17   13   11   38                                       
CONECT   13   19   14   12   39                                       
CONECT   14   15   13   40                                            
CONECT   15   20   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   12                                                 
CONECT   18   19   17   41   42                                       
CONECT   19   20   18   13   43                                       
CONECT   20   19   15   44                                            
CONECT   21    4                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
