COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.305   0.775  -7.233  1.00  0.00           C  
HETATM    2  CA  UNL     1      -0.170  -0.121  -6.119  1.00  0.00           C  
HETATM    3  C   UNL     1       0.305   0.437  -4.777  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.177  -0.472  -3.646  1.00  0.00           C  
HETATM    5  C   UNL     1       0.297   0.086  -2.303  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.177  -0.810  -1.189  1.00  0.00           C  
HETATM    7  N   UNL     1       0.124  -0.513   0.090  1.00  0.00           N  
HETATM    8  CA  UNL     1      -0.338  -1.385   1.173  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.280  -0.722   2.150  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.637  -0.182  -6.132  1.00  0.00           N  
HETATM   11  O   UNL     1      -0.832  -1.799  -1.444  1.00  0.00           O  
HETATM   12  C   UNL     1       0.573  -1.414   2.388  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.468  -0.484   2.101  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.383   1.696  -7.603  1.00  0.00           O  
HETATM   15  OXT UNL     1       1.493   0.550  -7.815  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.363  -0.489   3.081  1.00  0.00           N  
HETATM   17  CA  UNL     1      -0.095   0.296   4.210  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.199   0.892   4.983  1.00  0.00           C  
HETATM   19  C   UNL     1       1.165   0.497   4.575  1.00  0.00           C  
HETATM   20  C   UNL     1       1.376   1.393   5.768  1.00  0.00           C  
HETATM   21  C   UNL     1       2.398  -0.053   3.940  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.932   1.646   6.068  1.00  0.00           O  
HETATM   23  OXT UNL     1      -2.350   0.704   4.643  1.00  0.00           O  
HETATM   24  S   UNL     1       2.155  -0.525   2.221  1.00  0.00           S  
HETATM   25  HA  UNL     1       0.236  -1.122  -6.260  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.101   1.439  -4.635  1.00  0.00           H  
HETATM   27  H   UNL     1       1.394   0.483  -4.767  1.00  0.00           H  
HETATM   28  H   UNL     1       0.229  -1.474  -3.787  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.266  -0.518  -3.655  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.109   1.087  -2.162  1.00  0.00           H  
HETATM   31  H   UNL     1       1.386   0.131  -2.293  1.00  0.00           H  
HETATM   32  H   UNL     1       0.647   0.277   0.294  1.00  0.00           H  
HETATM   33  HA  UNL     1      -0.662  -2.367   0.830  1.00  0.00           H  
HETATM   34  H1  UNL     1      -1.968   0.761  -5.999  1.00  0.00           H  
HETATM   35  H2  UNL     1      -1.908  -0.455  -7.065  1.00  0.00           H  
HETATM   36  H   UNL     1       0.671  -2.394   2.853  1.00  0.00           H  
HETATM   37  HXT UNL     1       1.798   1.125  -8.530  1.00  0.00           H  
HETATM   38  H   UNL     1       2.444   1.483   5.970  1.00  0.00           H  
HETATM   39  H   UNL     1       0.962   2.380   5.559  1.00  0.00           H  
HETATM   40  H   UNL     1       0.876   0.966   6.637  1.00  0.00           H  
HETATM   41  H   UNL     1       3.193   0.689   3.992  1.00  0.00           H  
HETATM   42  H   UNL     1       2.704  -0.933   4.506  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.656   2.037   6.576  1.00  0.00           H  
CONECT    1    2   14   14   15                                       
CONECT    2    1    3   10   25                                       
CONECT    3    2    4   26   27                                       
CONECT    4    3    5   28   29                                       
CONECT    5    4    6   30   31                                       
CONECT    6    5    7   11   11                                       
CONECT    7    6    8   32                                            
CONECT    8    7    9   12   33                                       
CONECT    9    8   13   13   16                                       
CONECT   10    2   34   35                                            
CONECT   11    6    6                                                 
CONECT   12    8   16   24   36                                       
CONECT   13    9    9                                                 
CONECT   14    1    1                                                 
CONECT   15    1   37                                                 
CONECT   16    9   12   17                                            
CONECT   17   16   18   19   19                                       
CONECT   18   17   22   23   23                                       
CONECT   19   17   17   20   21                                       
CONECT   20   19   38   39   40                                       
CONECT   21   19   24   41   42                                       
CONECT   22   18   43                                                 
CONECT   23   18   18                                                 
CONECT   24   12   21                                                 
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   15                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
