COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.618  -0.043  -1.297  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.977  -0.006  -1.239  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.641   0.029  -0.014  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.949   0.033   1.157  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.546   0.001   1.136  1.00  0.00           C  
HETATM    6  C   UNL     1       0.204   0.015   2.331  1.00  0.00           C  
HETATM    7  C   UNL     1       1.581  -0.018   2.265  1.00  0.00           C  
HETATM    8  C   UNL     1       2.234  -0.059   1.037  1.00  0.00           C  
HETATM    9  C   UNL     1       1.534  -0.068  -0.130  1.00  0.00           C  
HETATM   10  C   UNL     1       0.129  -0.034  -0.107  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.439   0.056   3.566  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.039  -1.156   4.291  1.00  0.00           C  
HETATM   13  C   UNL     1       0.129   1.194   4.300  1.00  0.00           C  
HETATM   14  S   UNL     1       0.199  -0.087  -2.857  1.00  0.00           S  
HETATM   15  O   UNL     1       1.085  -1.196  -2.798  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.817   0.101  -3.832  1.00  0.00           O  
HETATM   17  N   UNL     1       1.164   1.255  -2.949  1.00  0.00           N  
HETATM   18  H   UNL     1      -2.550  -0.008  -2.154  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.721   0.054   0.004  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.477   0.060   2.099  1.00  0.00           H  
HETATM   21  H   UNL     1       2.160  -0.011   3.177  1.00  0.00           H  
HETATM   22  H   UNL     1       3.313  -0.085   1.010  1.00  0.00           H  
HETATM   23  H   UNL     1       2.058  -0.099  -1.074  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.519  -1.169   5.269  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.343  -2.036   3.725  1.00  0.00           H  
HETATM   26  H   UNL     1       1.043  -1.163   4.419  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.142   2.123   3.798  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.263   1.203   5.317  1.00  0.00           H  
HETATM   29  H   UNL     1       1.214   1.101   4.331  1.00  0.00           H  
HETATM   30  H   UNL     1       1.702   1.412  -3.740  1.00  0.00           H  
HETATM   31  H   UNL     1       1.192   1.883  -2.210  1.00  0.00           H  
CONECT    1    2    2   10   14                                       
CONECT    2    1    1    3   18                                       
CONECT    3    2    4    4   19                                       
CONECT    4    3    3    5   20                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   11                                       
CONECT    7    6    8    8   21                                       
CONECT    8    7    7    9   22                                       
CONECT    9    8   10   10   23                                       
CONECT   10    1    5    9    9                                       
CONECT   11    6   12   13                                            
CONECT   12   11   24   25   26                                       
CONECT   13   11   27   28   29                                       
CONECT   14    1   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   30   31                                            
CONECT   18    2                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   12                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   17                                                      
CONECT   31   17                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
