COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.472  -1.498   0.004  1.00  0.00           C  
HETATM    2  C   UNL     1       2.504  -0.390   0.016  1.00  0.00           C  
HETATM    3  N   UNL     1       3.151  -2.670   0.556  1.00  0.00           N  
HETATM    4  N   UNL     1       4.670  -1.332  -0.560  1.00  0.00           N1+
HETATM    5  S   UNL     1       2.824   1.366   0.052  1.00  0.00           S  
HETATM    6  C   UNL     1       1.143   1.934   0.048  1.00  0.00           C  
HETATM    7  C   UNL     1       0.391   0.736   0.018  1.00  0.00           C  
HETATM    8  C   UNL     1       1.147  -0.450  -0.004  1.00  0.00           C  
HETATM    9  C   UNL     1       0.546   3.176   0.065  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.832   3.269   0.054  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.596   2.109   0.025  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.021   0.878   0.008  1.00  0.00           C  
HETATM   13  I   UNL     1      -2.233  -0.830  -0.036  1.00  0.00           I  
HETATM   14  H   UNL     1       3.789  -3.401   0.548  1.00  0.00           H  
HETATM   15  H   UNL     1       2.280  -2.791   0.966  1.00  0.00           H  
HETATM   16  H   UNL     1       4.903  -0.480  -0.961  1.00  0.00           H  
HETATM   17  H   UNL     1       5.309  -2.062  -0.564  1.00  0.00           H  
HETATM   18  H   UNL     1       0.649  -1.408  -0.032  1.00  0.00           H  
HETATM   19  H   UNL     1       1.151   4.070   0.088  1.00  0.00           H  
HETATM   20  H   UNL     1      -1.312   4.236   0.068  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.673   2.188   0.017  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    8    8                                       
CONECT    3    1   14   15                                            
CONECT    4    1    1   16   17                                       
CONECT    5    2    6                                                 
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   12                                       
CONECT    8    2    2    7   18                                       
CONECT    9    6   10   10   19                                       
CONECT   10    9    9   11   20                                       
CONECT   11   10   12   12   21                                       
CONECT   12    7   11   11   13                                       
CONECT   13   12                                                      
CONECT   14    3                                                      
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    4                                                      
CONECT   18    8                                                      
CONECT   19    9                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
MASTER        0    0    0    0    0    0    0    0   21    0   21    0
END
