COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.855  -0.884   0.763  1.00  0.00           C  
HETATM    2  O   UNL     1       2.918  -2.312   0.734  1.00  0.00           O  
HETATM    3  C   UNL     1       2.332   0.782  -0.436  1.00  0.00           C  
HETATM    4  C   UNL     1       3.503  -0.214  -0.460  1.00  0.00           C  
HETATM    5  C   UNL     1       1.516  -0.316   0.266  1.00  0.00           C  
HETATM    6  H   UNL     1       3.183  -0.466   1.715  1.00  0.00           H  
HETATM    7  H   UNL     1       3.774  -2.673   1.002  1.00  0.00           H  
HETATM    8  C   UNL     1       2.588   2.010   0.440  1.00  0.00           C  
HETATM    9  H   UNL     1       1.957   1.038  -1.427  1.00  0.00           H  
HETATM   10  H   UNL     1       4.469   0.244  -0.246  1.00  0.00           H  
HETATM   11  N   UNL     1       0.808  -1.205  -0.659  1.00  0.00           N  
HETATM   12  H   UNL     1       0.877   0.059   1.066  1.00  0.00           H  
HETATM   13  S   UNL     1      -0.643  -1.871  -0.221  1.00  0.00           S  
HETATM   14  C   UNL     1      -1.794  -0.548  -0.049  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.081  -2.643  -1.331  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.459  -2.414   1.079  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.543  -0.139  -1.137  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.446   0.899  -1.002  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.600   1.528   0.220  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.851   1.118   1.307  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.951   0.077   1.173  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.584   2.660   0.366  1.00  0.00           C  
HETATM   23  H   UNL     1       1.190  -1.403  -1.528  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.423  -0.630  -2.091  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.031   1.219  -1.851  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.971   1.609   2.261  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.366  -0.243   2.023  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.556   2.261   0.654  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.232   3.350   1.133  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.674   3.188  -0.584  1.00  0.00           H  
HETATM   31  C   UNL     1       3.349   3.042  -0.353  1.00  0.00           C  
HETATM   32  C   UNL     1       2.876   4.259  -0.467  1.00  0.00           C  
HETATM   33  H   UNL     1       3.521  -0.847  -1.347  1.00  0.00           H  
HETATM   34  H   UNL     1       1.636   2.430   0.764  1.00  0.00           H  
HETATM   35  H   UNL     1       3.173   1.718   1.312  1.00  0.00           H  
HETATM   36  H   UNL     1       4.283   2.779  -0.826  1.00  0.00           H  
HETATM   37  H   UNL     1       1.942   4.522   0.007  1.00  0.00           H  
HETATM   38  H   UNL     1       3.421   4.998  -1.035  1.00  0.00           H  
CONECT    1    2    4    5    6                                       
CONECT    2    1    7                                                 
CONECT    3    4    5    8    9                                       
CONECT    4    1    3   10   33                                       
CONECT    5    1    3   11   12                                       
CONECT    6    1                                                      
CONECT    7    2                                                      
CONECT    8    3   31   34   35                                       
CONECT    9    3                                                      
CONECT   10    4                                                      
CONECT   11    5   13   23                                            
CONECT   12    5                                                      
CONECT   13   11   14   15   15                                       
CONECT   13   16   16                                                 
CONECT   14   13   17   21   21                                       
CONECT   15   13   13                                                 
CONECT   16   13   13                                                 
CONECT   17   14   18   18   24                                       
CONECT   18   17   17   19   25                                       
CONECT   19   18   20   20   22                                       
CONECT   20   19   19   21   26                                       
CONECT   21   20   14   14   27                                       
CONECT   22   19   28   29   30                                       
CONECT   23   11                                                      
CONECT   24   17                                                      
CONECT   25   18                                                      
CONECT   26   20                                                      
CONECT   27   21                                                      
CONECT   28   22                                                      
CONECT   29   22                                                      
CONECT   30   22                                                      
CONECT   31    8   32   32   36                                       
CONECT   32   31   31   37   38                                       
CONECT   33    4                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   31                                                      
CONECT   37   32                                                      
CONECT   38   32                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
