COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.452   2.524   0.177  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.296   3.395   1.014  1.00  0.00           C  
HETATM    3  S   UNL     1      -0.231   3.428   2.695  1.00  0.00           S  
HETATM    4  N   UNL     1      -1.141   4.296   0.369  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.318   4.438  -0.998  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.087   5.250  -1.504  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.491   3.525  -1.829  1.00  0.00           C  
HETATM    8  C   UNL     1       0.317   2.655  -1.210  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.607   3.631  -3.316  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.648   2.736  -3.733  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.848   2.775  -5.184  1.00  0.00           C  
HETATM   12  C   UNL     1       1.373   1.543   0.675  1.00  0.00           C  
HETATM   13  O   UNL     1       0.137  -0.058   2.041  1.00  0.00           O  
HETATM   14  C   UNL     1       0.748   0.163   0.786  1.00  0.00           C  
HETATM   15  O   UNL     1       2.742  -0.809   1.739  1.00  0.00           O  
HETATM   16  C   UNL     1       1.940  -0.742   0.560  1.00  0.00           C  
HETATM   17  C   UNL     1       2.725   0.023  -0.498  1.00  0.00           C  
HETATM   18  O   UNL     1       2.470   1.422  -0.246  1.00  0.00           O  
HETATM   19  C   UNL     1       2.282  -0.292  -1.921  1.00  0.00           C  
HETATM   20  O   UNL     1       3.063   0.476  -2.819  1.00  0.00           O  
HETATM   21  P   UNL     1       2.787   0.324  -4.407  1.00  0.00           P  
HETATM   22  O   UNL     1       3.659   1.172  -5.286  1.00  0.00           O  
HETATM   23  O   UNL     1       1.198   0.588  -4.548  1.00  0.00           O  
HETATM   24  O   UNL     1       2.921  -1.270  -4.647  1.00  0.00           O  
HETATM   25  H   UNL     1      -1.684   4.915   0.964  1.00  0.00           H  
HETATM   26  H   UNL     1       0.934   1.978  -1.792  1.00  0.00           H  
HETATM   27  H   UNL     1       0.346   3.351  -3.764  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.855   4.660  -3.577  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.418   1.772  -3.467  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.153   1.791  -5.548  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.920   3.064  -5.685  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.625   3.501  -5.439  1.00  0.00           H  
HETATM   33  H   UNL     1       1.754   1.910   1.633  1.00  0.00           H  
HETATM   34  H   UNL     1       0.698   0.368   2.713  1.00  0.00           H  
HETATM   35  H   UNL     1       0.000   0.004   0.000  1.00  0.00           H  
HETATM   36  H   UNL     1       3.594  -1.183   1.470  1.00  0.00           H  
HETATM   37  H   UNL     1       1.675  -1.764   0.277  1.00  0.00           H  
HETATM   38  H   UNL     1       3.804  -0.139  -0.410  1.00  0.00           H  
HETATM   39  H   UNL     1       1.229  -0.035  -2.051  1.00  0.00           H  
HETATM   40  H   UNL     1       2.428  -1.352  -2.133  1.00  0.00           H  
HETATM   41  H   UNL     1       0.799   0.616  -5.443  1.00  0.00           H  
HETATM   42  H   UNL     1       2.886  -1.617  -5.563  1.00  0.00           H  
CONECT    1    2    8   12                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   25                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8    9                                       
CONECT    8    1    7    7   26                                       
CONECT    9    7   10   27   28                                       
CONECT   10    9   11   29                                            
CONECT   11   10   30   31   32                                       
CONECT   12    1   14   18   33                                       
CONECT   13   14   34                                                 
CONECT   14   12   13   16   35                                       
CONECT   15   16   36                                                 
CONECT   16   14   15   17   37                                       
CONECT   17   16   18   19   38                                       
CONECT   18   12   17                                                 
CONECT   19   17   20   39   40                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21   41                                                 
CONECT   24   21   42                                                 
CONECT   25    4                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
