COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.756   0.267  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       6.257   0.421  -0.001  1.00  0.00           C  
HETATM    3  O   UNL     1       5.761   1.528   0.000  1.00  0.00           O  
HETATM    4  N   UNL     1       5.467  -0.671  -0.001  1.00  0.00           N  
HETATM    5  C   UNL     1       4.089  -0.530   0.001  1.00  0.00           C  
HETATM    6  N   UNL     1       3.466   0.598   0.001  1.00  0.00           N  
HETATM    7  C   UNL     1       2.119   0.574   0.002  1.00  0.00           C  
HETATM    8  C   UNL     1       1.218   1.662   0.003  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.125   1.452   0.004  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.642   0.153   0.004  1.00  0.00           C  
HETATM   11  C   UNL     1       0.223  -0.933   0.003  1.00  0.00           C  
HETATM   12  C   UNL     1       1.599  -0.725   0.002  1.00  0.00           C  
HETATM   13  S   UNL     1       2.944  -1.863  -0.006  1.00  0.00           S  
HETATM   14  C   UNL     1      -2.109  -0.064   0.007  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.988   1.026   0.002  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.350   0.772  -0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.794  -0.550   0.000  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.935  -1.554   0.004  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.632  -1.354   0.007  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.127  -0.808  -0.004  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.522  -2.182  -0.003  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.241   1.799  -0.005  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.705   3.124  -0.005  1.00  0.00           C  
HETATM   24  H   UNL     1       8.064  -0.281  -0.893  1.00  0.00           H  
HETATM   25  H   UNL     1       8.222   1.253  -0.002  1.00  0.00           H  
HETATM   26  H   UNL     1       8.066  -0.281   0.887  1.00  0.00           H  
HETATM   27  H   UNL     1       5.864  -1.556  -0.001  1.00  0.00           H  
HETATM   28  H   UNL     1       1.601   2.672   0.003  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.798   2.296   0.005  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.171  -1.938   0.004  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.613   2.039   0.002  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.962  -2.201   0.006  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.610  -2.247  -0.006  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.126  -2.674  -0.891  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.130  -2.671   0.889  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.522   3.846  -0.008  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.095   3.269   0.887  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.090   3.267  -0.893  1.00  0.00           H  
CONECT    1    2   24   25   26                                       
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   27                                            
CONECT    5   13    4    6    6                                       
CONECT    6    5    5    7                                            
CONECT    7   12   12    8    6                                       
CONECT    8    9    9    7   28                                       
CONECT    9   10    8    8   29                                       
CONECT   10   14   11   11    9                                       
CONECT   11   10   10   12   30                                       
CONECT   12   11   13    7    7                                       
CONECT   13   12    5                                                 
CONECT   14   15   19   19   10                                       
CONECT   15   16   16   14   31                                       
CONECT   16   22   15   15   17                                       
CONECT   17   16   20   18   18                                       
CONECT   18   17   17   19                                            
CONECT   19   18   14   14   32                                       
CONECT   20   21   17                                                 
CONECT   21   20   33   34   35                                       
CONECT   22   23   16                                                 
CONECT   23   22   36   37   38                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    4                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   11                                                      
CONECT   31   15                                                      
CONECT   32   19                                                      
CONECT   33   21                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   23                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
