COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  I   UNL     1       3.703  -1.762  -0.185  1.00  0.00           I  
HETATM    2  C   UNL     1       3.008   0.211  -0.069  1.00  0.00           C  
HETATM    3  N   UNL     1       1.765   0.461   0.315  1.00  0.00           N  
HETATM    4  C   UNL     1       1.315   1.704   0.392  1.00  0.00           C  
HETATM    5  N   UNL     1       0.005   1.927   0.798  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.822   0.883   1.007  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.119   1.100   1.302  1.00  0.00           N  
HETATM    8  S   UNL     1      -3.106  -0.175   1.681  1.00  0.00           S  
HETATM    9  C   UNL     1      -3.230  -1.184   0.243  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.790  -0.669  -0.928  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.280   0.724  -0.965  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.932   1.181  -2.052  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.285   2.589  -2.066  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.096   1.459  -0.015  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.885  -1.476  -2.063  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.424  -2.776  -2.022  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.871  -3.280  -0.859  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.769  -2.484   0.269  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.411  -0.945   2.653  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.399   0.371   1.901  1.00  0.00           O  
HETATM   21  O   UNL     1      -0.398  -0.254   0.930  1.00  0.00           O  
HETATM   22  N   UNL     1       2.082   2.741   0.091  1.00  0.00           N  
HETATM   23  C   UNL     1       3.338   2.562  -0.300  1.00  0.00           C  
HETATM   24  O   UNL     1       4.120   3.626  -0.607  1.00  0.00           O  
HETATM   25  C   UNL     1       3.528   4.922  -0.487  1.00  0.00           C  
HETATM   26  C   UNL     1       3.843   1.267  -0.386  1.00  0.00           C  
HETATM   27  H   UNL     1      -0.314   2.833   0.931  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.474   2.002   1.293  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.864   2.827  -1.174  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.377   3.191  -2.082  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.880   2.805  -2.954  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.317  -1.083  -2.972  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.497  -3.401  -2.899  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.513  -4.299  -0.832  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.331  -2.882   1.172  1.00  0.00           H  
HETATM   36  H   UNL     1       2.667   4.990  -1.151  1.00  0.00           H  
HETATM   37  H   UNL     1       3.207   5.081   0.542  1.00  0.00           H  
HETATM   38  H   UNL     1       4.260   5.682  -0.762  1.00  0.00           H  
HETATM   39  H   UNL     1       4.862   1.090  -0.697  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3   26                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5   22   22                                       
CONECT    5    4    6   27                                            
CONECT    6    5    7   21   21                                       
CONECT    7    6    8   28                                            
CONECT    8   19   19    7    9                                       
CONECT    8   20   20                                                 
CONECT    9   10    8   18   18                                       
CONECT   10   11   15   15    9                                       
CONECT   11   14   14   12   10                                       
CONECT   12   13   11                                                 
CONECT   13   12   29   30   31                                       
CONECT   14   11   11                                                 
CONECT   15   10   10   16   32                                       
CONECT   16   15   17   17   33                                       
CONECT   17   16   16   18   34                                       
CONECT   18    9    9   17   35                                       
CONECT   19    8    8                                                 
CONECT   20    8    8                                                 
CONECT   21    6    6                                                 
CONECT   22    4    4   23                                            
CONECT   23   26   26   22   24                                       
CONECT   24   23   25                                                 
CONECT   25   24   36   37   38                                       
CONECT   26    2   23   23   39                                       
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29   13                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   25                                                      
CONECT   37   25                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
