COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.924   1.983  -0.179  1.00  0.00           C  
HETATM    2  C   UNL     1       3.780   1.717   0.808  1.00  0.00           C  
HETATM    3  C   UNL     1       3.602   0.696  -0.317  1.00  0.00           C  
HETATM    4  C   UNL     1       2.259   0.027  -0.180  1.00  0.00           C  
HETATM    5  O   UNL     1       2.193  -1.175  -0.028  1.00  0.00           O  
HETATM    6  N   UNL     1       1.131   0.763  -0.228  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.107   0.146  -0.101  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.248   0.755  -0.132  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.327  -0.024   0.008  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.053  -1.351   0.163  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.359  -1.581   0.116  1.00  0.00           S  
HETATM   12  C   UNL     1      -3.691   0.505  -0.004  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.635  -0.247   0.128  1.00  0.00           O  
HETATM   14  N   UNL     1       4.664  -0.315  -0.233  1.00  0.00           N1+
HETATM   15  H   UNL     1      -4.021   2.213  -1.240  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.839   2.271   0.340  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.082   2.536   0.236  1.00  0.00           H  
HETATM   18  H   UNL     1       3.723   1.210   1.771  1.00  0.00           H  
HETATM   19  H   UNL     1       4.752   2.201   0.709  1.00  0.00           H  
HETATM   20  H   UNL     1       2.992   2.468   0.746  1.00  0.00           H  
HETATM   21  H   UNL     1       3.659   1.203  -1.280  1.00  0.00           H  
HETATM   22  H   UNL     1       1.184   1.724  -0.350  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.788  -2.132   0.290  1.00  0.00           H  
HETATM   24  H   UNL     1       4.611  -0.785   0.659  1.00  0.00           H  
HETATM   25  H   UNL     1       4.547  -0.989  -0.975  1.00  0.00           H  
HETATM   26  H   UNL     1       5.563   0.133  -0.324  1.00  0.00           H  
CONECT    1   12   15   16   17                                       
CONECT    2    3   18   19   20                                       
CONECT    3   14    4    2   21                                       
CONECT    4    5    5    6    3                                       
CONECT    5    4    4                                                 
CONECT    6    7    4   22                                            
CONECT    7   11    8    8    6                                       
CONECT    8    9    7    7                                            
CONECT    9   10   10   12    8                                       
CONECT   10    9    9   11   23                                       
CONECT   11   10    7                                                 
CONECT   12    1    9   13   13                                       
CONECT   13   12   12                                                 
CONECT   14    3   24   25   26                                       
CONECT   15    1                                                      
CONECT   16    1                                                      
CONECT   17    1                                                      
CONECT   18    2                                                      
CONECT   19    2                                                      
CONECT   20    2                                                      
CONECT   21    3                                                      
CONECT   22    6                                                      
CONECT   23   10                                                      
CONECT   24   14                                                      
CONECT   25   14                                                      
CONECT   26   14                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END
