COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.248   2.099   0.223  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.411   0.206  -0.003  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.641  -1.486   0.014  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.250   1.200   0.391  1.00  0.00           N  
HETATM    5  N   UNL     1       0.817   3.007   0.239  1.00  0.00           N  
HETATM    6  O   UNL     1       2.139   0.879  -1.129  1.00  0.00           O  
HETATM    7  S   UNL     1       1.299  -0.126  -0.577  1.00  0.00           S  
HETATM    8  O   UNL     1       0.828  -1.205  -1.372  1.00  0.00           O  
HETATM    9  C   UNL     1       1.984  -0.739   0.987  1.00  0.00           C  
HETATM   10  C   UNL     1       0.967  -1.661   1.663  1.00  0.00           C  
HETATM   11  C   UNL     1       3.272  -1.517   0.710  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.163   0.739  -0.108  1.00  0.00           C  
HETATM   13  S   UNL     1      -1.857  -1.472  -0.309  1.00  0.00           S  
HETATM   14  N   UNL     1      -1.496   2.373   0.521  1.00  0.00           N  
HETATM   15  H   UNL     1      -3.826  -1.185   1.045  1.00  0.00           H  
HETATM   16  H   UNL     1      -4.139  -0.790  -0.662  1.00  0.00           H  
HETATM   17  H   UNL     1      -4.032  -2.490  -0.147  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.203   1.113   0.548  1.00  0.00           H  
HETATM   19  H   UNL     1       1.711   2.711   0.007  1.00  0.00           H  
HETATM   20  H   UNL     1       0.661   3.933   0.482  1.00  0.00           H  
HETATM   21  H   UNL     1       2.202   0.103   1.643  1.00  0.00           H  
HETATM   22  H   UNL     1       0.748  -2.504   1.006  1.00  0.00           H  
HETATM   23  H   UNL     1       1.378  -2.030   2.602  1.00  0.00           H  
HETATM   24  H   UNL     1       0.049  -1.107   1.860  1.00  0.00           H  
HETATM   25  H   UNL     1       3.054  -2.359   0.054  1.00  0.00           H  
HETATM   26  H   UNL     1       3.997  -0.860   0.229  1.00  0.00           H  
HETATM   27  H   UNL     1       3.684  -1.885   1.650  1.00  0.00           H  
CONECT    1   14   14    5   12                                       
CONECT    2    4   12   12   13                                       
CONECT    3   13   15   16   17                                       
CONECT    4   14    2   18                                            
CONECT    5    1   19   20                                            
CONECT    6    7    7                                                 
CONECT    7   12    9    8    8                                       
CONECT    7    6    6                                                 
CONECT    8    7    7                                                 
CONECT    9   11   10    7   21                                       
CONECT   10    9   22   23   24                                       
CONECT   11    9   25   26   27                                       
CONECT   12    1    2    2    7                                       
CONECT   13    2    3                                                 
CONECT   14    4    1    1                                            
CONECT   15    3                                                      
CONECT   16    3                                                      
CONECT   17    3                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
