COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.446  -3.489  -0.009  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.509  -2.273  -0.005  1.00  0.00           C  
HETATM    3  C   UNL     1       0.718  -1.470   0.004  1.00  0.00           C  
HETATM    4  N   UNL     1       1.997  -1.768   0.010  1.00  0.00           N  
HETATM    5  N   UNL     1       2.695  -0.686   0.017  1.00  0.00           N  
HETATM    6  C   UNL     1       1.898   0.369   0.016  1.00  0.00           C  
HETATM    7  S   UNL     1       2.399   2.058   0.024  1.00  0.00           S  
HETATM    8  N   UNL     1       0.622  -0.093   0.007  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.632   0.517   0.003  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.733   1.902   0.012  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.976   2.504   0.013  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.124   1.732   0.005  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.034   0.354  -0.004  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.789  -0.263  -0.005  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.707  -1.655  -0.015  1.00  0.00           N  
HETATM   16  H   UNL     1       0.160   2.508   0.019  1.00  0.00           H  
HETATM   17  H   UNL     1      -2.052   3.581   0.020  1.00  0.00           H  
HETATM   18  H   UNL     1      -4.093   2.208   0.006  1.00  0.00           H  
HETATM   19  H   UNL     1      -3.933  -0.245  -0.010  1.00  0.00           H  
HETATM   20  H   UNL     1      -2.520  -2.184  -0.021  1.00  0.00           H  
HETATM   21  H   UNL     1       2.477   2.297  -1.363  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   15    3    1    1                                       
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5                                            
CONECT    5    6    6    4                                            
CONECT    6    7    8    5    5                                       
CONECT    7    6   21                                                 
CONECT    8    9    6    3                                            
CONECT    9   10   10   14    8                                       
CONECT   10   11    9    9   16                                       
CONECT   11   12   12   10   17                                       
CONECT   12   11   11   13   18                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13    9   15                                       
CONECT   15   14    2   20                                            
CONECT   16   10                                                      
CONECT   17   11                                                      
CONECT   18   12                                                      
CONECT   19   13                                                      
CONECT   20   15                                                      
CONECT   21    7                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
