COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.805  -0.256   0.021  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.342  -0.105   0.007  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.574   0.726   0.497  1.00  0.00           N  
HETATM    4  N   UNL     1      -3.365  -1.376  -0.443  1.00  0.00           N1+
HETATM    5  S   UNL     1      -0.380   1.390  -0.148  1.00  0.00           S  
HETATM    6  C   UNL     1       1.240   0.666  -0.068  1.00  0.00           C  
HETATM    7  C   UNL     1       0.970  -0.717   0.077  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.391  -1.069   0.117  1.00  0.00           C  
HETATM    9  N   UNL     1       2.461   1.148  -0.116  1.00  0.00           N  
HETATM   10  C   UNL     1       3.513   0.357  -0.030  1.00  0.00           C  
HETATM   11  C   UNL     1       3.351  -1.014   0.114  1.00  0.00           C  
HETATM   12  C   UNL     1       2.105  -1.565   0.169  1.00  0.00           C  
HETATM   13  H   UNL     1      -3.167   1.539   0.834  1.00  0.00           H  
HETATM   14  H   UNL     1      -4.539   0.628   0.502  1.00  0.00           H  
HETATM   15  H   UNL     1      -4.330  -1.475  -0.435  1.00  0.00           H  
HETATM   16  H   UNL     1      -2.807  -2.089  -0.789  1.00  0.00           H  
HETATM   17  H   UNL     1      -0.679  -2.103   0.230  1.00  0.00           H  
HETATM   18  H   UNL     1       4.506   0.778  -0.072  1.00  0.00           H  
HETATM   19  H   UNL     1       4.221  -1.650   0.184  1.00  0.00           H  
HETATM   20  H   UNL     1       1.983  -2.632   0.280  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    8    8                                       
CONECT    3    1   13   14                                            
CONECT    4    1    1   15   16                                       
CONECT    5    2    6                                                 
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   12                                       
CONECT    8    2    2    7   17                                       
CONECT    9    6   10   10                                            
CONECT   10    9    9   11   18                                       
CONECT   11   10   12   12   19                                       
CONECT   12    7   11   11   20                                       
CONECT   13    3                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    4                                                      
CONECT   17    8                                                      
CONECT   18   10                                                      
CONECT   19   11                                                      
CONECT   20   12                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END
