COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.183   2.061   0.044  1.00  0.00           C  
HETATM    2  O   UNL     1       1.301  -1.759  -1.294  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.026  -0.009  -0.207  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.475   0.312   0.166  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.372  -0.871  -0.206  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.762  -0.562   0.153  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.130   1.173   0.165  1.00  0.00           C  
HETATM    8  C   UNL     1       0.319   0.852  -0.208  1.00  0.00           C  
HETATM    9  O   UNL     1       0.930   3.212  -0.599  1.00  0.00           O  
HETATM   10  O   UNL     1       2.099   1.996   0.828  1.00  0.00           O  
HETATM   11  N   UNL     1       0.796  -0.268   0.607  1.00  0.00           N  
HETATM   12  S   UNL     1       1.846  -1.374  -0.039  1.00  0.00           S  
HETATM   13  O   UNL     1       2.141  -2.300   0.998  1.00  0.00           O  
HETATM   14  N   UNL     1       3.259  -0.575  -0.369  1.00  0.00           N  
HETATM   15  H   UNL     1      -1.700  -0.897   0.335  1.00  0.00           H  
HETATM   16  H   UNL     1      -1.960  -0.193  -1.279  1.00  0.00           H  
HETATM   17  H   UNL     1      -3.542   0.495   1.239  1.00  0.00           H  
HETATM   18  H   UNL     1      -3.801   1.200  -0.375  1.00  0.00           H  
HETATM   19  H   UNL     1      -4.305  -1.054  -1.278  1.00  0.00           H  
HETATM   20  H   UNL     1      -4.045  -1.759   0.336  1.00  0.00           H  
HETATM   21  H   UNL     1      -6.375  -1.329  -0.083  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.840  -0.325   1.130  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.456   2.061  -0.377  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.196   1.357   1.237  1.00  0.00           H  
HETATM   25  H   UNL     1       0.371   0.582  -1.263  1.00  0.00           H  
HETATM   26  H   UNL     1       1.511   3.960  -0.405  1.00  0.00           H  
HETATM   27  H   UNL     1       0.498  -0.361   1.525  1.00  0.00           H  
HETATM   28  H   UNL     1       3.337   0.373  -0.174  1.00  0.00           H  
HETATM   29  H   UNL     1       4.008  -1.054  -0.757  1.00  0.00           H  
CONECT    1   10   10    9    8                                       
CONECT    2   12   12                                                 
CONECT    3    7    4   15   16                                       
CONECT    4    3    5   17   18                                       
CONECT    5    6    4   19   20                                       
CONECT    6    5   21   22                                            
CONECT    7    8    3   23   24                                       
CONECT    8    1   11    7   25                                       
CONECT    9    1   26                                                 
CONECT   10    1    1                                                 
CONECT   11   12    8   27                                            
CONECT   12    2    2   13   13                                       
CONECT   12   14   11                                                 
CONECT   13   12   12                                                 
CONECT   14   12   28   29                                            
CONECT   15    3                                                      
CONECT   16    3                                                      
CONECT   17    4                                                      
CONECT   18    4                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   11                                                      
CONECT   28   14                                                      
CONECT   29   14                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
