COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.597  -0.623  -0.688  1.00  0.00           C  
HETATM    2  O   UNL     1       0.472   1.970   0.302  1.00  0.00           O  
HETATM    3  C   UNL     1       0.933   0.877   0.567  1.00  0.00           C  
HETATM    4  N   UNL     1       0.203  -0.008   1.276  1.00  0.00           N  
HETATM    5  S   UNL     1      -1.367   0.341   1.669  1.00  0.00           S  
HETATM    6  C   UNL     1      -2.261   0.498   0.159  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.695   1.659  -0.317  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.490   2.992   0.355  1.00  0.00           C  
HETATM    9  S   UNL     1      -3.540   1.426  -1.837  1.00  0.00           S  
HETATM   10  C   UNL     1      -3.289  -0.260  -1.802  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.223  -2.011  -0.382  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.679  -3.018  -1.154  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.270  -4.363  -0.793  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.503  -2.252   0.567  1.00  0.00           O  
HETATM   15  O   UNL     1      -1.882  -0.812   2.322  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.355   1.631   2.265  1.00  0.00           O  
HETATM   17  N   UNL     1       2.172   0.550   0.153  1.00  0.00           N  
HETATM   18  N   UNL     1       2.830  -0.667   0.382  1.00  0.00           N  
HETATM   19  C   UNL     1       4.004  -0.601  -0.173  1.00  0.00           C  
HETATM   20  O   UNL     1       4.936  -1.584  -0.168  1.00  0.00           O  
HETATM   21  C   UNL     1       4.596  -2.797   0.508  1.00  0.00           C  
HETATM   22  N   UNL     1       4.142   0.632  -0.766  1.00  0.00           N  
HETATM   23  C   UNL     1       5.320   1.104  -1.498  1.00  0.00           C  
HETATM   24  C   UNL     1       3.007   1.330  -0.564  1.00  0.00           C  
HETATM   25  O   UNL     1       2.780   2.461  -0.952  1.00  0.00           O  
HETATM   26  H   UNL     1       0.598  -0.849   1.554  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.502   3.378   0.103  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.251   3.693   0.012  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.568   2.870   1.435  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.634  -0.947  -2.561  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.183  -4.435  -0.830  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.614  -4.589   0.216  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.705  -5.076  -1.493  1.00  0.00           H  
HETATM   34  H   UNL     1       4.390  -2.583   1.556  1.00  0.00           H  
HETATM   35  H   UNL     1       3.711  -3.234   0.045  1.00  0.00           H  
HETATM   36  H   UNL     1       5.428  -3.498   0.436  1.00  0.00           H  
HETATM   37  H   UNL     1       5.221   0.844  -2.553  1.00  0.00           H  
HETATM   38  H   UNL     1       5.403   2.186  -1.396  1.00  0.00           H  
HETATM   39  H   UNL     1       6.214   0.631  -1.091  1.00  0.00           H  
CONECT    1   11   10   10    6                                       
CONECT    2    3    3                                                 
CONECT    3    4   17    2    2                                       
CONECT    4    5    3   26                                            
CONECT    5   15   15    4    6                                       
CONECT    5   16   16                                                 
CONECT    6    1    5    7    7                                       
CONECT    7    6    6    9    8                                       
CONECT    8    7   27   28   29                                       
CONECT    9   10    7                                                 
CONECT   10    1    1    9   30                                       
CONECT   11   14   14   12    1                                       
CONECT   12   13   11                                                 
CONECT   13   12   31   32   33                                       
CONECT   14   11   11                                                 
CONECT   15    5    5                                                 
CONECT   16    5    5                                                 
CONECT   17   24    3   18                                            
CONECT   18   17   19   19                                            
CONECT   19   22   20   18   18                                       
CONECT   20   19   21                                                 
CONECT   21   20   34   35   36                                       
CONECT   22   23   24   19                                            
CONECT   23   22   37   38   39                                       
CONECT   24   25   25   22   17                                       
CONECT   25   24   24                                                 
CONECT   26    4                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   13                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
