COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.572   1.247  -0.241  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.019   0.874  -0.080  1.00  0.00           C  
HETATM    3  C   UNL     1       0.351   0.684  -0.144  1.00  0.00           C  
HETATM    4  C   UNL     1       2.719   0.456  -0.110  1.00  0.00           C  
HETATM    5  C   UNL     1       2.734  -0.852  -0.587  1.00  0.00           C  
HETATM    6  C   UNL     1       3.893  -1.595  -0.435  1.00  0.00           C  
HETATM    7  C   UNL     1       3.862   0.966   0.493  1.00  0.00           C  
HETATM    8  O   UNL     1       0.245  -0.521  -0.023  1.00  0.00           O  
HETATM    9  N   UNL     1      -0.752   1.457  -0.181  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.182   1.540  -0.105  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.309   0.744   0.011  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.331  -0.849   0.091  1.00  0.00           S  
HETATM   13  C   UNL     1      -4.066  -0.561   0.129  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.119  -1.630   0.269  1.00  0.00           C  
HETATM   15  N   UNL     1       4.946   0.226   0.613  1.00  0.00           N  
HETATM   16  C   UNL     1       4.989  -1.019   0.181  1.00  0.00           C  
HETATM   17  H   UNL     1       1.655   2.199  -0.405  1.00  0.00           H  
HETATM   18  H   UNL     1       1.863  -1.277  -1.064  1.00  0.00           H  
HETATM   19  H   UNL     1       3.940  -2.613  -0.793  1.00  0.00           H  
HETATM   20  H   UNL     1       3.862   1.980   0.866  1.00  0.00           H  
HETATM   21  H   UNL     1      -0.668   2.419  -0.277  1.00  0.00           H  
HETATM   22  H   UNL     1      -3.235   2.614  -0.207  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.310   1.150   0.006  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.639  -2.606   0.341  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.706  -1.447   1.168  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.774  -1.611  -0.603  1.00  0.00           H  
HETATM   27  H   UNL     1       5.896  -1.592   0.298  1.00  0.00           H  
CONECT    1    4    3   17                                            
CONECT    2    9   12   10   10                                       
CONECT    3    8    8    1    9                                       
CONECT    4    7    7    5    1                                       
CONECT    5    6    6    4   18                                       
CONECT    6   16    5    5   19                                       
CONECT    7   15    4    4   20                                       
CONECT    8    3    3                                                 
CONECT    9    3    2   21                                            
CONECT   10    2    2   11   22                                       
CONECT   11   13   13   10   23                                       
CONECT   12    2   13                                                 
CONECT   13   12   14   11   11                                       
CONECT   14   13   24   25   26                                       
CONECT   15   16   16    7                                            
CONECT   16   15   15    6   27                                       
CONECT   17    1                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23   11                                                      
CONECT   24   14                                                      
CONECT   25   14                                                      
CONECT   26   14                                                      
CONECT   27   16                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END
