COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.974   0.932   0.061  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.024  -0.091   0.092  1.00  0.00           C  
HETATM    3  C   UNL     1       2.218  -0.873   0.164  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.420  -1.421   0.080  1.00  0.00           C  
HETATM    5  C   UNL     1       3.627  -0.341   0.208  1.00  0.00           C  
HETATM    6  C   UNL     1       4.313  -0.073   1.320  1.00  0.00           C  
HETATM    7  C   UNL     1       5.596   0.404   1.113  1.00  0.00           C  
HETATM    8  C   UNL     1       5.952   0.523  -0.167  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.763  -1.756   0.037  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.716  -0.749   0.006  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.017   0.026  -0.069  1.00  0.00           N  
HETATM   12  N   UNL     1      -4.673   1.204  -0.052  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.317   0.606   0.018  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.584  -2.159  -0.054  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.166  -1.018  -0.041  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.392   1.621  -0.011  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.126   2.806   0.001  1.00  0.00           O  
HETATM   18  O   UNL     1       1.297   0.218   0.133  1.00  0.00           O  
HETATM   19  S   UNL     1       4.621   0.015  -1.199  1.00  0.00           S  
HETATM   20  H   UNL     1      -0.664   1.966   0.074  1.00  0.00           H  
HETATM   21  H   UNL     1       2.088  -1.484  -0.730  1.00  0.00           H  
HETATM   22  H   UNL     1       2.032  -1.482   1.049  1.00  0.00           H  
HETATM   23  H   UNL     1       0.326  -2.201   0.105  1.00  0.00           H  
HETATM   24  H   UNL     1       3.899  -0.217   2.307  1.00  0.00           H  
HETATM   25  H   UNL     1       6.259   0.660   1.926  1.00  0.00           H  
HETATM   26  H   UNL     1       6.910   0.878  -0.517  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.065  -2.793   0.028  1.00  0.00           H  
CONECT    1    2   13   13   20                                       
CONECT    2    4    4   18    1                                       
CONECT    3    5   18   21   22                                       
CONECT    4    9    2    2   23                                       
CONECT    5    6    6   19    3                                       
CONECT    6    7    5    5   24                                       
CONECT    7    6    8    8   25                                       
CONECT    8    7    7   19   26                                       
CONECT    9    4   10   10   27                                       
CONECT   10    9    9   15   13                                       
CONECT   11   15   12   12                                            
CONECT   12   11   11   16                                            
CONECT   13   10    1    1   16                                       
CONECT   14   15   15                                                 
CONECT   15   14   14   10   11                                       
CONECT   16   13   12   17   17                                       
CONECT   17   16   16                                                 
CONECT   18    3    2                                                 
CONECT   19    8    5                                                 
CONECT   20    1                                                      
CONECT   21    3                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
