COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.949   1.083  -1.083  1.00  0.00           O  
HETATM    2  C   UNL     1       3.783   1.169  -0.204  1.00  0.00           C  
HETATM    3  O   UNL     1       3.748   2.203   0.660  1.00  0.00           O  
HETATM    4  C   UNL     1       4.830   0.140  -0.079  1.00  0.00           C  
HETATM    5  C   UNL     1       6.177   0.505  -0.065  1.00  0.00           C  
HETATM    6  C   UNL     1       7.153  -0.462   0.052  1.00  0.00           C  
HETATM    7  C   UNL     1       6.807  -1.801   0.156  1.00  0.00           C  
HETATM    8  C   UNL     1       5.484  -2.185   0.144  1.00  0.00           C  
HETATM    9  C   UNL     1       4.478  -1.222   0.033  1.00  0.00           C  
HETATM   10  C   UNL     1       3.064  -1.625   0.020  1.00  0.00           C  
HETATM   11  N   UNL     1       2.130  -0.721   0.032  1.00  0.00           N  
HETATM   12  N   UNL     1       0.783  -1.105   0.020  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.212  -0.142   0.033  1.00  0.00           C  
HETATM   14  S   UNL     1       0.056   1.599   0.058  1.00  0.00           S  
HETATM   15  C   UNL     1      -1.685   1.868   0.053  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.296   0.670   0.034  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.488  -0.380   0.024  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.773   0.533   0.025  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.358  -0.731   0.006  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.738  -0.851  -0.002  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.312  -2.083  -0.021  1.00  0.00           O  
HETATM   22  C   UNL     1      -7.740  -2.133  -0.028  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.534   0.285   0.010  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.954   1.540   0.030  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.580   1.670   0.043  1.00  0.00           C  
HETATM   26  H   UNL     1       3.041   2.851   0.541  1.00  0.00           H  
HETATM   27  H   UNL     1       6.456   1.545  -0.146  1.00  0.00           H  
HETATM   28  H   UNL     1       8.194  -0.175   0.062  1.00  0.00           H  
HETATM   29  H   UNL     1       7.582  -2.549   0.242  1.00  0.00           H  
HETATM   30  H   UNL     1       5.224  -3.230   0.226  1.00  0.00           H  
HETATM   31  H   UNL     1       2.801  -2.673   0.000  1.00  0.00           H  
HETATM   32  H   UNL     1       0.547  -2.046   0.002  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.177   2.830   0.064  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.737  -1.614  -0.004  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.125  -1.644   0.867  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.117  -1.620  -0.912  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.067  -3.173  -0.043  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.610   0.189   0.004  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.579   2.421   0.044  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.131   2.652   0.059  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   26                                                 
CONECT    4    9    9    5    2                                       
CONECT    5    6    6    4   27                                       
CONECT    6    7    5    5   28                                       
CONECT    7    8    8    6   29                                       
CONECT    8    7    7    9   30                                       
CONECT    9    8   10    4    4                                       
CONECT   10   11   11    9   31                                       
CONECT   11   12   10   10                                            
CONECT   12   13   11   32                                            
CONECT   13   14   17   17   12                                       
CONECT   14   15   13                                                 
CONECT   15   14   16   16   33                                       
CONECT   16   15   15   18   17                                       
CONECT   17   16   13   13                                            
CONECT   18   25   16   19   19                                       
CONECT   19   18   18   20   34                                       
CONECT   20   23   23   19   21                                       
CONECT   21   20   22                                                 
CONECT   22   21   35   36   37                                       
CONECT   23   24   20   20   38                                       
CONECT   24   25   25   23   39                                       
CONECT   25   24   24   18   40                                       
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   15                                                      
CONECT   34   19                                                      
CONECT   35   22                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
