COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.066  -3.744  -0.217  1.00  0.00           O  
HETATM    2  O   UNL     1       2.264   0.725   1.446  1.00  0.00           O  
HETATM    3  O   UNL     1      -4.518  -1.835   0.002  1.00  0.00           O  
HETATM    4  O   UNL     1      -4.424  -0.055  -1.541  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.735   0.551   0.716  1.00  0.00           O  
HETATM    6  C   UNL     1       2.004   4.590  -1.443  1.00  0.00           C  
HETATM    7  C   UNL     1       1.498   3.378  -1.876  1.00  0.00           C  
HETATM    8  C   UNL     1       1.881   4.961  -0.117  1.00  0.00           C  
HETATM    9  C   UNL     1       4.221  -3.352  -0.656  1.00  0.00           C  
HETATM   10  C   UNL     1       4.800  -2.174  -0.220  1.00  0.00           C  
HETATM   11  C   UNL     1       0.862   2.536  -0.984  1.00  0.00           C  
HETATM   12  C   UNL     1       1.251   4.121   0.781  1.00  0.00           C  
HETATM   13  C   UNL     1       2.848  -3.516  -0.615  1.00  0.00           C  
HETATM   14  C   UNL     1       4.014  -1.144   0.267  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.850   0.793   0.600  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.640  -1.507  -0.062  1.00  0.00           C  
HETATM   17  N   UNL     1       0.094   2.056   1.253  1.00  0.00           N  
HETATM   18  C   UNL     1       0.731   2.908   0.348  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.421  -0.381   0.159  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.477   0.873   0.808  1.00  0.00           C  
HETATM   21  C   UNL     1       0.574  -2.650  -0.071  1.00  0.00           C  
HETATM   22  C   UNL     1       1.775  -0.203   0.832  1.00  0.00           C  
HETATM   23  C   UNL     1       2.044  -2.493  -0.124  1.00  0.00           C  
HETATM   24  C   UNL     1       2.632  -1.293   0.316  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.270  -1.457   0.161  1.00  0.00           C  
HETATM   26  C   UNL     1       0.322  -0.256   0.595  1.00  0.00           C  
HETATM   27  S   UNL     1      -4.162  -0.463  -0.098  1.00  0.00           S  
HETATM   28  H   UNL     1      -5.358  -0.066  -1.789  1.00  0.00           H  
HETATM   29  H   UNL     1       2.500   5.247  -2.143  1.00  0.00           H  
HETATM   30  H   UNL     1       1.599   3.089  -2.911  1.00  0.00           H  
HETATM   31  H   UNL     1       2.277   5.908   0.218  1.00  0.00           H  
HETATM   32  H   UNL     1       4.845  -4.146  -1.038  1.00  0.00           H  
HETATM   33  H   UNL     1       5.873  -2.058  -0.257  1.00  0.00           H  
HETATM   34  H   UNL     1       0.466   1.589  -1.323  1.00  0.00           H  
HETATM   35  H   UNL     1       1.156   4.411   1.817  1.00  0.00           H  
HETATM   36  H   UNL     1       2.401  -4.436  -0.963  1.00  0.00           H  
HETATM   37  H   UNL     1       4.472  -0.227   0.607  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.470   1.661   0.768  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.098  -2.421  -0.408  1.00  0.00           H  
HETATM   40  H   UNL     1       0.050   2.292   2.193  1.00  0.00           H  
CONECT    1   21   21                                                 
CONECT    2   22   22                                                 
CONECT    3   27   27                                                 
CONECT    4   27   28                                                 
CONECT    5   27   27                                                 
CONECT    6    8    8    7   29                                       
CONECT    7    6   11   11   30                                       
CONECT    8    6    6   12   31                                       
CONECT    9   10   10   13   32                                       
CONECT   10    9    9   14   33                                       
CONECT   11    7    7   18   34                                       
CONECT   12    8   18   18   35                                       
CONECT   13    9   23   23   36                                       
CONECT   14   10   24   24   37                                       
CONECT   15   20   20   19   38                                       
CONECT   16   25   19   19   39                                       
CONECT   17   18   20   40                                            
CONECT   18   11   12   12   17                                       
CONECT   19   15   16   16   27                                       
CONECT   20   15   15   17   26                                       
CONECT   21    1    1   23   25                                       
CONECT   22    2    2   24   26                                       
CONECT   23   13   13   21   24                                       
CONECT   24   14   14   22   23                                       
CONECT   25   16   21   26   26                                       
CONECT   26   20   22   25   25                                       
CONECT   27    3    3    4    5                                       
CONECT   27    5   19                                                 
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
