COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.630  -0.113   1.074  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.070   2.020  -0.006  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.403   1.729  -0.022  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.870   0.528   0.508  1.00  0.00           C  
HETATM    5  O   UNL     1       2.317  -1.563   2.121  1.00  0.00           O  
HETATM    6  C   UNL     1       1.564  -0.738   1.635  1.00  0.00           C  
HETATM    7  O   UNL     1       0.247  -0.994   1.602  1.00  0.00           O  
HETATM    8  C   UNL     1       2.098   0.461   1.120  1.00  0.00           C  
HETATM    9  C   UNL     1       3.583   0.711   1.175  1.00  0.00           C  
HETATM   10  C   UNL     1       4.241   0.094  -0.032  1.00  0.00           C  
HETATM   11  C   UNL     1       4.453   0.853  -1.168  1.00  0.00           C  
HETATM   12  C   UNL     1       5.056   0.287  -2.276  1.00  0.00           C  
HETATM   13  C   UNL     1       5.448  -1.039  -2.247  1.00  0.00           C  
HETATM   14  C   UNL     1       5.236  -1.798  -1.112  1.00  0.00           C  
HETATM   15  C   UNL     1       4.639  -1.230  -0.002  1.00  0.00           C  
HETATM   16  C   UNL     1       1.271   1.390   0.574  1.00  0.00           C  
HETATM   17  C   UNL     1       1.816   2.679   0.015  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.165   1.104   0.543  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.988  -0.390   1.054  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.199   0.253   0.484  1.00  0.00           O  
HETATM   21  S   UNL     1      -4.657  -0.479  -0.769  1.00  0.00           S  
HETATM   22  O   UNL     1      -6.076  -0.427  -0.707  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.946   0.153  -1.824  1.00  0.00           O  
HETATM   24  C   UNL     1      -4.073  -2.181  -0.539  1.00  0.00           C  
HETATM   25  H   UNL     1      -0.715   2.954  -0.414  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.101   2.436  -0.445  1.00  0.00           H  
HETATM   27  H   UNL     1       3.771   1.785   1.182  1.00  0.00           H  
HETATM   28  H   UNL     1       3.994   0.264   2.080  1.00  0.00           H  
HETATM   29  H   UNL     1       4.147   1.888  -1.190  1.00  0.00           H  
HETATM   30  H   UNL     1       5.221   0.880  -3.163  1.00  0.00           H  
HETATM   31  H   UNL     1       5.919  -1.481  -3.113  1.00  0.00           H  
HETATM   32  H   UNL     1       5.542  -2.834  -1.090  1.00  0.00           H  
HETATM   33  H   UNL     1       4.473  -1.823   0.885  1.00  0.00           H  
HETATM   34  H   UNL     1       2.142   2.520  -1.013  1.00  0.00           H  
HETATM   35  H   UNL     1       1.038   3.441   0.036  1.00  0.00           H  
HETATM   36  H   UNL     1       2.663   3.007   0.618  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.358  -1.319   1.463  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.519  -2.600   0.363  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.360  -2.784  -1.400  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.987  -2.182  -0.440  1.00  0.00           H  
CONECT    1   18   18   19    7                                       
CONECT    2    3    3   18   25                                       
CONECT    3    2    2    4   26                                       
CONECT    4    3   20   19   19                                       
CONECT    5    6    6                                                 
CONECT    6    8    7    5    5                                       
CONECT    7    1    6                                                 
CONECT    8   16   16    9    6                                       
CONECT    9   10    8   27   28                                       
CONECT   10   15   15   11    9                                       
CONECT   11   12   12   10   29                                       
CONECT   12   13   11   11   30                                       
CONECT   13   14   14   12   31                                       
CONECT   14   13   13   15   32                                       
CONECT   15   14   10   10   33                                       
CONECT   16   17   18    8    8                                       
CONECT   17   16   34   35   36                                       
CONECT   18    2   16    1    1                                       
CONECT   19    4    4    1   37                                       
CONECT   20   21    4                                                 
CONECT   21   23   23   22   22                                       
CONECT   21   20   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   38   39   40                                       
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   24                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
