COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.065  -0.030  -0.726  1.00  0.00           C  
HETATM    2  C   UNL     1       0.767  -0.065   0.632  1.00  0.00           C  
HETATM    3  C   UNL     1       2.260  -0.106   0.426  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.083   2.467  -0.109  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.517  -1.134  -0.249  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.075   1.227  -0.412  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.427   0.011  -0.520  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.276   3.642  -0.208  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.447   1.270  -0.216  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.173   0.087  -0.140  1.00  0.00           C  
HETATM   11  N   UNL     1       3.004   0.931   0.344  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.484  -3.512  -0.296  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.223  -2.295  -0.176  1.00  0.00           O  
HETATM   14  C   UNL     1       4.324   0.745   0.158  1.00  0.00           C  
HETATM   15  C   UNL     1       4.653  -0.613   0.085  1.00  0.00           C  
HETATM   16  C   UNL     1       5.976  -1.007  -0.105  1.00  0.00           C  
HETATM   17  C   UNL     1       6.965  -0.057  -0.222  1.00  0.00           C  
HETATM   18  C   UNL     1       6.646   1.292  -0.151  1.00  0.00           C  
HETATM   19  C   UNL     1       5.359   1.694   0.036  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.144  -1.168  -0.439  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.995   0.119   1.389  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.521   0.124   0.041  1.00  0.00           O  
HETATM   23  S   UNL     1       3.169  -1.543   0.278  1.00  0.00           S  
HETATM   24  H   UNL     1       0.380   0.858  -1.275  1.00  0.00           H  
HETATM   25  H   UNL     1       0.329  -0.921  -1.295  1.00  0.00           H  
HETATM   26  H   UNL     1       0.504   0.826   1.201  1.00  0.00           H  
HETATM   27  H   UNL     1       0.452  -0.953   1.181  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.511   2.147  -0.480  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.527   3.636   0.585  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.778   3.660  -1.178  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.906   4.525  -0.106  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.166  -4.359  -0.220  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.980  -3.537  -1.262  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.744  -3.568   0.502  1.00  0.00           H  
HETATM   35  H   UNL     1       6.224  -2.056  -0.161  1.00  0.00           H  
HETATM   36  H   UNL     1       7.991  -0.362  -0.370  1.00  0.00           H  
HETATM   37  H   UNL     1       7.429   2.030  -0.243  1.00  0.00           H  
HETATM   38  H   UNL     1       5.129   2.748   0.089  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.635  -2.116  -0.524  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.657  -0.789   1.890  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.605   0.990   1.915  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.084   0.151   1.392  1.00  0.00           H  
CONECT    1    2    7   24   25                                       
CONECT    2    3    1   26   27                                       
CONECT    3   11   11    2   23                                       
CONECT    4    9    8                                                 
CONECT    5   13   20   20   10                                       
CONECT    6    7    7    9   28                                       
CONECT    7   20    1    6    6                                       
CONECT    8    4   29   30   31                                       
CONECT    9   10   10    6    4                                       
CONECT   10    5   22    9    9                                       
CONECT   11   14    3    3                                            
CONECT   12   13   32   33   34                                       
CONECT   13   12    5                                                 
CONECT   14   19   11   15   15                                       
CONECT   15   14   14   16   23                                       
CONECT   16   17   17   15   35                                       
CONECT   17   18   16   16   36                                       
CONECT   18   19   19   17   37                                       
CONECT   19   18   18   14   38                                       
CONECT   20    5    5    7   39                                       
CONECT   21   22   40   41   42                                       
CONECT   22   10   21                                                 
CONECT   23   15    3                                                 
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
