COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.528   3.228   0.591  1.00  0.00           C  
HETATM    2  C   UNL     1       4.051   1.481  -0.058  1.00  0.00           C  
HETATM    3  C   UNL     1       3.113   0.923  -0.914  1.00  0.00           C  
HETATM    4  C   UNL     1       2.593  -0.331  -0.639  1.00  0.00           C  
HETATM    5  C   UNL     1       3.020  -1.011   0.480  1.00  0.00           C  
HETATM    6  C   UNL     1       3.951  -0.460   1.345  1.00  0.00           C  
HETATM    7  C   UNL     1       4.473   0.791   1.069  1.00  0.00           C  
HETATM    8  C   UNL     1       0.610  -2.236   1.120  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.118  -2.022  -0.191  1.00  0.00           C  
HETATM   10  C   UNL     1       1.559  -0.920  -1.575  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.800  -0.502  -1.928  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.068  -0.112  -1.214  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.291   1.213  -0.880  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.450   1.577  -0.227  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.400   0.606   0.098  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.168  -0.729  -0.241  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.007  -1.078  -0.899  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.643   0.989   0.798  1.00  0.00           C  
HETATM   19  N   UNL     1       0.237  -0.831  -0.940  1.00  0.00           N  
HETATM   20  O   UNL     1       4.566   2.710  -0.329  1.00  0.00           O  
HETATM   21  O   UNL     1      -5.841   2.151   1.092  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.557   0.049   1.110  1.00  0.00           O  
HETATM   23  S   UNL     1       2.359  -2.629   0.789  1.00  0.00           S  
HETATM   24  H   UNL     1       5.856   4.213   0.258  1.00  0.00           H  
HETATM   25  H   UNL     1       5.077   3.311   1.580  1.00  0.00           H  
HETATM   26  H   UNL     1       6.385   2.556   0.638  1.00  0.00           H  
HETATM   27  H   UNL     1       2.789   1.464  -1.791  1.00  0.00           H  
HETATM   28  H   UNL     1       4.272  -1.005   2.221  1.00  0.00           H  
HETATM   29  H   UNL     1       5.201   1.233   1.733  1.00  0.00           H  
HETATM   30  H   UNL     1       0.550  -1.328   1.721  1.00  0.00           H  
HETATM   31  H   UNL     1       0.149  -3.061   1.662  1.00  0.00           H  
HETATM   32  H   UNL     1       0.067  -2.888  -0.825  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.187  -1.983   0.019  1.00  0.00           H  
HETATM   34  H   UNL     1       1.554  -0.362  -2.511  1.00  0.00           H  
HETATM   35  H   UNL     1       1.799  -1.965  -1.773  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.991  -1.371  -2.558  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.462   0.329  -2.547  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.556   1.963  -1.132  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.623   2.611   0.033  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.900  -1.484   0.004  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.827  -2.110  -1.163  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.354   0.348   1.568  1.00  0.00           H  
CONECT    1   20   24   25   26                                       
CONECT    2    7   20    3    3                                       
CONECT    3    2    2    4   27                                       
CONECT    4    5    5    3   10                                       
CONECT    5   23    6    4    4                                       
CONECT    6    7    7    5   28                                       
CONECT    7    6    6    2   29                                       
CONECT    8   23    9   30   31                                       
CONECT    9    8   19   32   33                                       
CONECT   10    4   19   34   35                                       
CONECT   11   19   12   36   37                                       
CONECT   12   17   11   13   13                                       
CONECT   13   12   12   14   38                                       
CONECT   14   15   15   13   39                                       
CONECT   15   16   18   14   14                                       
CONECT   16   17   17   15   40                                       
CONECT   17   16   16   12   41                                       
CONECT   18   21   21   15   22                                       
CONECT   19   10    9   11                                            
CONECT   20    1    2                                                 
CONECT   21   18   18                                                 
CONECT   22   18   42                                                 
CONECT   23    5    8                                                 
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   22                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
