COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.256   1.191  -0.178  1.00  0.00           C  
HETATM    2  C   UNL     1       4.649  -0.234   0.628  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.290   0.644  -1.109  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.551   1.166  -1.092  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.549   0.538  -0.363  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.295  -0.639   0.371  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.993  -1.165   0.346  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.005  -0.526  -0.389  1.00  0.00           C  
HETATM    9  C   UNL     1       1.362  -1.083  -0.413  1.00  0.00           C  
HETATM   10  O   UNL     1       1.528  -2.286  -0.469  1.00  0.00           O  
HETATM   11  N   UNL     1       2.427  -0.258  -0.373  1.00  0.00           N  
HETATM   12  C   UNL     1       3.184   1.639   0.956  1.00  0.00           C  
HETATM   13  O   UNL     1       4.513   1.188   0.683  1.00  0.00           O  
HETATM   14  C   UNL     1       3.795  -0.779  -0.523  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.417  -1.049   0.988  1.00  0.00           N  
HETATM   16  N   UNL     1      -4.492  -0.384   0.852  1.00  0.00           N  
HETATM   17  S   UNL     1      -4.261   0.858  -0.072  1.00  0.00           S  
HETATM   18  H   UNL     1       2.516   1.718  -1.096  1.00  0.00           H  
HETATM   19  H   UNL     1       1.221   1.405   0.087  1.00  0.00           H  
HETATM   20  H   UNL     1       5.694  -0.494   0.461  1.00  0.00           H  
HETATM   21  H   UNL     1       4.312  -0.669   1.569  1.00  0.00           H  
HETATM   22  H   UNL     1       0.487   1.129  -1.680  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.771   2.066  -1.646  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.762  -2.065   0.896  1.00  0.00           H  
HETATM   25  H   UNL     1       3.176   2.727   1.025  1.00  0.00           H  
HETATM   26  H   UNL     1       2.841   1.212   1.898  1.00  0.00           H  
HETATM   27  H   UNL     1       4.211  -0.450  -1.476  1.00  0.00           H  
HETATM   28  H   UNL     1       3.780  -1.868  -0.485  1.00  0.00           H  
CONECT    1   12   11   18   19                                       
CONECT    2   13   14   20   21                                       
CONECT    3    8    4    4   22                                       
CONECT    4    3    3    5   23                                       
CONECT    5    4    6    6   17                                       
CONECT    6    7    5    5   15                                       
CONECT    7    8    8    6   24                                       
CONECT    8    9    3    7    7                                       
CONECT    9   11    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    1   14    9                                            
CONECT   12   13    1   25   26                                       
CONECT   13   12    2                                                 
CONECT   14    2   11   27   28                                       
CONECT   15    6   16   16                                            
CONECT   16   17   15   15                                            
CONECT   17    5   16                                                 
CONECT   18    1                                                      
CONECT   19    1                                                      
CONECT   20    2                                                      
CONECT   21    2                                                      
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    7                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
CONECT   27   14                                                      
CONECT   28   14                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END
