COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.073   2.345   1.020  1.00  0.00           O  
HETATM    2  N   UNL     1      -3.860   1.951   0.178  1.00  0.00           N1+
HETATM    3  O   UNL     1      -4.414   2.748  -0.558  1.00  0.00           O1-
HETATM    4  C   UNL     1      -4.137   0.503   0.044  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.439   0.047   0.030  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.700  -1.306  -0.096  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.659  -2.211  -0.207  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.352  -1.768  -0.194  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.082  -0.404  -0.074  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.685   0.078  -0.065  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.453   1.271  -0.083  1.00  0.00           O  
HETATM   12  N   UNL     1      -0.667  -0.805  -0.038  1.00  0.00           N  
HETATM   13  C   UNL     1       0.643  -0.353  -0.030  1.00  0.00           C  
HETATM   14  C   UNL     1       1.744  -1.163  -0.002  1.00  0.00           C  
HETATM   15  C   UNL     1       1.667  -2.627   0.023  1.00  0.00           C  
HETATM   16  N   UNL     1       1.618  -3.279   1.201  1.00  0.00           N  
HETATM   17  O   UNL     1       1.647  -3.253  -1.021  1.00  0.00           O  
HETATM   18  S   UNL     1       1.101   1.286  -0.060  1.00  0.00           S  
HETATM   19  C   UNL     1       2.812   0.895  -0.029  1.00  0.00           C  
HETATM   20  C   UNL     1       3.936   1.914  -0.037  1.00  0.00           C  
HETATM   21  C   UNL     1       5.239   1.208  -0.421  1.00  0.00           C  
HETATM   22  C   UNL     1       6.420   2.153  -0.192  1.00  0.00           C  
HETATM   23  C   UNL     1       5.405  -0.041   0.451  1.00  0.00           C  
HETATM   24  C   UNL     1       4.368  -1.086   0.035  1.00  0.00           C  
HETATM   25  C   UNL     1       2.997  -0.430  -0.001  1.00  0.00           C  
HETATM   26  H   UNL     1      -6.256   0.748   0.117  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.721  -1.658  -0.107  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.869  -3.265  -0.305  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.540  -2.475  -0.280  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.852  -1.757  -0.023  1.00  0.00           H  
HETATM   31  H   UNL     1       1.634  -2.780   2.033  1.00  0.00           H  
HETATM   32  H   UNL     1       1.567  -4.247   1.218  1.00  0.00           H  
HETATM   33  H   UNL     1       3.715   2.695  -0.765  1.00  0.00           H  
HETATM   34  H   UNL     1       4.037   2.354   0.955  1.00  0.00           H  
HETATM   35  H   UNL     1       5.201   0.918  -1.471  1.00  0.00           H  
HETATM   36  H   UNL     1       6.458   2.439   0.859  1.00  0.00           H  
HETATM   37  H   UNL     1       7.347   1.648  -0.465  1.00  0.00           H  
HETATM   38  H   UNL     1       6.296   3.044  -0.807  1.00  0.00           H  
HETATM   39  H   UNL     1       6.407  -0.448   0.317  1.00  0.00           H  
HETATM   40  H   UNL     1       5.256   0.223   1.498  1.00  0.00           H  
HETATM   41  H   UNL     1       4.613  -1.470  -0.956  1.00  0.00           H  
HETATM   42  H   UNL     1       4.365  -1.905   0.755  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2                                                      
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6   26                                       
CONECT    6    5    7    7   27                                       
CONECT    7    6    6    8   28                                       
CONECT    8    7    9    9   29                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   30                                            
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   25                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   31   32                                            
CONECT   17   15   15                                                 
CONECT   18   13   19                                                 
CONECT   19   18   20   25   25                                       
CONECT   20   19   21   33   34                                       
CONECT   21   20   22   23   35                                       
CONECT   22   21   36   37   38                                       
CONECT   23   21   24   39   40                                       
CONECT   24   23   25   41   42                                       
CONECT   25   14   19   19   24                                       
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   12                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   20                                                      
CONECT   34   20                                                      
CONECT   35   21                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
