COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.384   1.894  -0.201  1.00  0.00           C  
HETATM    2  C   UNL     1       2.318   0.681  -0.216  1.00  0.00           C  
HETATM    3  C   UNL     1       1.789  -0.349  -1.219  1.00  0.00           C  
HETATM    4  C   UNL     1       0.354  -0.725  -0.838  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.505   0.542  -0.798  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.926   0.182  -0.360  1.00  0.00           C  
HETATM    7  C   UNL     1       4.518   1.587   0.310  1.00  0.00           C  
HETATM    8  C   UNL     1       5.902   2.022  -0.099  1.00  0.00           C  
HETATM    9  N   UNL     1       3.663   1.104  -0.614  1.00  0.00           N  
HETATM   10  O   UNL     1       1.841   2.834   0.773  1.00  0.00           O  
HETATM   11  O   UNL     1       2.613  -1.515  -1.188  1.00  0.00           O  
HETATM   12  O   UNL     1       0.349  -1.347   0.448  1.00  0.00           O  
HETATM   13  O   UNL     1       0.060   1.469   0.131  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.760   1.339  -0.451  1.00  0.00           O  
HETATM   15  O   UNL     1       4.174   1.671   1.469  1.00  0.00           O  
HETATM   16  O   UNL     1      -4.549  -0.194  -0.525  1.00  0.00           O  
HETATM   17  O   UNL     1      -4.227   1.000   1.482  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.923   2.273  -0.375  1.00  0.00           O  
HETATM   19  S   UNL     1      -4.204   1.095  -0.036  1.00  0.00           S  
HETATM   20  S   UNL     1       0.114  -2.850   0.408  1.00  0.00           S  
HETATM   21  O   UNL     1      -0.009  -3.274   1.759  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.892  -3.073  -0.570  1.00  0.00           O  
HETATM   23  O   UNL     1       1.385  -3.491  -0.129  1.00  0.00           O  
HETATM   24  H   UNL     1       1.380   2.362  -1.185  1.00  0.00           H  
HETATM   25  H   UNL     1       2.355   0.236   0.778  1.00  0.00           H  
HETATM   26  H   UNL     1       1.801   0.079  -2.222  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.051  -1.416  -1.578  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.533   0.993  -1.790  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.319  -0.601  -1.008  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.909  -0.174   0.670  1.00  0.00           H  
HETATM   31  H   UNL     1       6.028   1.874  -1.171  1.00  0.00           H  
HETATM   32  H   UNL     1       6.036   3.078   0.140  1.00  0.00           H  
HETATM   33  H   UNL     1       6.642   1.431   0.439  1.00  0.00           H  
HETATM   34  H   UNL     1       3.939   1.037  -1.541  1.00  0.00           H  
HETATM   35  H   UNL     1       1.295   3.630   0.838  1.00  0.00           H  
HETATM   36  H   UNL     1       3.539  -1.349  -1.412  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.106   0.845   1.854  1.00  0.00           H  
HETATM   38  H   UNL     1       1.342  -4.455  -0.196  1.00  0.00           H  
CONECT    1   13   10    2   24                                       
CONECT    2    1    9    3   25                                       
CONECT    3    2    4   11   26                                       
CONECT    4    5   12    3   27                                       
CONECT    5   13    6    4   28                                       
CONECT    6   14    5   29   30                                       
CONECT    7   15   15    9    8                                       
CONECT    8    7   31   32   33                                       
CONECT    9    2    7   34                                            
CONECT   10    1   35                                                 
CONECT   11    3   36                                                 
CONECT   12   20    4                                                 
CONECT   13    1    5                                                 
CONECT   14   19    6                                                 
CONECT   15    7    7                                                 
CONECT   16   19   19                                                 
CONECT   17   19   37                                                 
CONECT   18   19   19                                                 
CONECT   19   16   16   14   18                                       
CONECT   19   18   17                                                 
CONECT   20   21   21   12   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   38                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   17                                                      
CONECT   38   23                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
