COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -1.549   0.771   0.766  1.00  0.00           S  
HETATM    2  C   UNL     1      -1.437   0.724   2.561  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.122   0.217   3.051  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.110  -0.361   4.442  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.420  -0.196   5.047  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.618  -0.549   6.326  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.687  -0.919   7.002  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.002  -0.483   6.921  1.00  0.00           C  
HETATM    9  CA  UNL     1       1.037   0.212   2.406  1.00  0.00           C  
HETATM   10  C   UNL     1       2.255  -0.294   3.064  1.00  0.00           C  
HETATM   11  O   UNL     1       2.174  -0.868   4.281  1.00  0.00           O  
HETATM   12  OXT UNL     1       3.332  -0.194   2.510  1.00  0.00           O  
HETATM   13  N   UNL     1       1.091   0.694   1.091  1.00  0.00           N  
HETATM   14  C   UNL     1       0.068   1.521   0.396  1.00  0.00           C  
HETATM   15  CA  UNL     1       0.694   1.134  -0.932  1.00  0.00           C  
HETATM   16  C   UNL     1       1.794   0.624  -0.031  1.00  0.00           C  
HETATM   17  O   UNL     1       2.932   0.271  -0.257  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.028   0.087  -1.659  1.00  0.00           N  
HETATM   19  C   UNL     1       0.003   0.058  -3.006  1.00  0.00           C  
HETATM   20  O   UNL     1       0.630   0.898  -3.616  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.739  -1.018  -3.754  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.543  -0.827  -5.236  1.00  0.00           C  
HETATM   23  C   UNL     1       0.425  -1.328  -6.041  1.00  0.00           C  
HETATM   24  C   UNL     1       0.404  -1.019  -7.388  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.579  -0.215  -7.862  1.00  0.00           C  
HETATM   26  S   UNL     1      -1.523   0.124  -6.386  1.00  0.00           S  
HETATM   27  H   UNL     1      -2.234   0.089   2.947  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.574   1.733   2.948  1.00  0.00           H  
HETATM   29  H   UNL     1       0.636   0.155   5.045  1.00  0.00           H  
HETATM   30  H   UNL     1       0.134  -1.422   4.392  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.982  -0.889   7.932  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.335   0.553   6.951  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.688  -1.068   6.308  1.00  0.00           H  
HETATM   34  H   UNL     1       2.980  -1.134   4.744  1.00  0.00           H  
HETATM   35  H   UNL     1       0.116   2.587   0.622  1.00  0.00           H  
HETATM   36  HA  UNL     1       0.980   1.978  -1.559  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.529  -0.584  -1.171  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.356  -1.995  -3.460  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.801  -0.958  -3.517  1.00  0.00           H  
HETATM   40  H   UNL     1       1.198  -1.965  -5.637  1.00  0.00           H  
HETATM   41  H   UNL     1       1.161  -1.408  -8.052  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.748   0.128  -8.872  1.00  0.00           H  
CONECT    1    2   14                                                 
CONECT    2    1    3   27   28                                       
CONECT    3    2    4    9    9                                       
CONECT    4    3    5   29   30                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   31   32   33                                       
CONECT    9    3    3   10   13                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   34                                                 
CONECT   12   10   10                                                 
CONECT   13    9   14   16                                            
CONECT   14    1   13   15   35                                       
CONECT   15   14   16   18   36                                       
CONECT   16   13   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   37                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   38   39                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22   24   40                                       
CONECT   24   23   25   25   41                                       
CONECT   25   24   24   26   42                                       
CONECT   26   22   25                                                 
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
