COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1       2.585   1.738   0.007  1.00  0.00           N  
HETATM    2  C   UNK     1       2.483   0.334   0.427  1.00  0.00           C  
HETATM    3  C   UNK     1       1.195  -0.273  -0.133  1.00  0.00           C  
HETATM    4  S   UNK     1      -0.233   0.652   0.496  1.00  0.00           S  
HETATM    5  C   UNK     1      -1.640  -0.202  -0.265  1.00  0.00           C  
HETATM    6  C   UNK     1      -2.943   0.469   0.174  1.00  0.00           C  
HETATM    7  N   UNK     1      -4.083  -0.223  -0.442  1.00  0.00           N  
HETATM    8  C   UNK     1      -4.206  -1.594   0.070  1.00  0.00           C  
HETATM    9  C   UNK     1      -5.328   0.529  -0.239  1.00  0.00           C  
HETATM   10  C   UNK     1       3.669  -0.434  -0.096  1.00  0.00           C  
HETATM   11  O   UNK     1       4.310   0.002  -1.023  1.00  0.00           O  
HETATM   12  O   UNK     1       4.014  -1.602   0.468  1.00  0.00           O  
HETATM   13  H   UNK     1       3.394   2.180   0.418  1.00  0.00           H  
HETATM   14  H   UNK     1       2.602   1.815  -0.998  1.00  0.00           H  
HETATM   15  H   UNK     1       2.466   0.280   1.515  1.00  0.00           H  
HETATM   16  H   UNK     1       1.211  -0.219  -1.222  1.00  0.00           H  
HETATM   17  H   UNK     1       1.119  -1.315   0.178  1.00  0.00           H  
HETATM   18  H   UNK     1      -1.553  -0.150  -1.350  1.00  0.00           H  
HETATM   19  H   UNK     1      -1.645  -1.246   0.049  1.00  0.00           H  
HETATM   20  H   UNK     1      -3.031   0.417   1.260  1.00  0.00           H  
HETATM   21  H   UNK     1      -2.938   1.513  -0.140  1.00  0.00           H  
HETATM   22  H   UNK     1      -4.356  -1.567   1.149  1.00  0.00           H  
HETATM   23  H   UNK     1      -5.058  -2.084  -0.403  1.00  0.00           H  
HETATM   24  H   UNK     1      -3.296  -2.150  -0.156  1.00  0.00           H  
HETATM   25  H   UNK     1      -5.234   1.517  -0.689  1.00  0.00           H  
HETATM   26  H   UNK     1      -6.156  -0.005  -0.705  1.00  0.00           H  
HETATM   27  H   UNK     1      -5.519   0.633   0.829  1.00  0.00           H  
HETATM   28  H   UNK     1       4.782  -2.058   0.098  1.00  0.00           H  
CONECT    1    2   13   14                                            
CONECT    2    1   10    3   15                                       
CONECT    3    2    4   16   17                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   18   19                                       
CONECT    6    5    7   20   21                                       
CONECT    7    6    8    9                                            
CONECT    8    7   22   23   24                                       
CONECT    9    7   25   26   27                                       
CONECT   10    2   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   28                                                 
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    3                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    8                                                      
CONECT   23    8                                                      
CONECT   24    8                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   12                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
