COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.800   2.058   0.003  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.899   0.850  -0.001  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.612   0.895  -0.001  1.00  0.00           N  
HETATM    4  S   UNL     1      -4.442  -0.771   0.000  1.00  0.00           S  
HETATM    5  C   UNL     1      -2.775  -1.343  -0.007  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.967  -0.263   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.487  -0.363   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1       0.295   0.793  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1       1.665   0.690  -0.001  1.00  0.00           C  
HETATM   10  C   UNL     1       2.771   1.721  -0.002  1.00  0.00           C  
HETATM   11  C   UNL     1       4.042   0.898  -0.001  1.00  0.00           C  
HETATM   12  O   UNL     1       5.177   1.326  -0.001  1.00  0.00           O  
HETATM   13  N   UNL     1       3.676  -0.394   0.000  1.00  0.00           N  
HETATM   14  C   UNL     1       4.625  -1.511   0.002  1.00  0.00           C  
HETATM   15  C   UNL     1       2.289  -0.552   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.506  -1.706   0.001  1.00  0.00           C  
HETATM   17  C   UNL     1       0.132  -1.612   0.006  1.00  0.00           C  
HETATM   18  H   UNL     1      -5.841   1.734   0.007  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.602   2.656   0.893  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.609   2.657  -0.887  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.457  -2.375  -0.008  1.00  0.00           H  
HETATM   22  H   UNL     1      -0.176   1.765  -0.002  1.00  0.00           H  
HETATM   23  H   UNL     1       2.717   2.339  -0.898  1.00  0.00           H  
HETATM   24  H   UNL     1       2.715   2.342   0.893  1.00  0.00           H  
HETATM   25  H   UNL     1       5.643  -1.122   0.001  1.00  0.00           H  
HETATM   26  H   UNL     1       4.469  -2.119   0.892  1.00  0.00           H  
HETATM   27  H   UNL     1       4.468  -2.122  -0.888  1.00  0.00           H  
HETATM   28  H   UNL     1       1.979  -2.677   0.001  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.469  -2.510   0.007  1.00  0.00           H  
CONECT    1    2   18   19   20                                       
CONECT    2    3    3    4    1                                       
CONECT    3    6    2    2                                            
CONECT    4    5    2                                                 
CONECT    5    6    6    4   21                                       
CONECT    6    7    3    5    5                                       
CONECT    7   17   17    8    6                                       
CONECT    8    9    9    7   22                                       
CONECT    9   10   15    8    8                                       
CONECT   10   11    9   23   24                                       
CONECT   11   12   12   13   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   15                                            
CONECT   14   13   25   26   27                                       
CONECT   15   13   16   16    9                                       
CONECT   16   15   15   17   28                                       
CONECT   17   16    7    7   29                                       
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    1                                                      
CONECT   21    5                                                      
CONECT   22    8                                                      
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   14                                                      
CONECT   28   16                                                      
CONECT   29   17                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
