COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.566  -0.054   0.706  1.00  0.00           C  
HETATM    2  C   UNL     1       0.610  -1.202  -0.083  1.00  0.00           C  
HETATM    3  C   UNL     1       3.272  -0.504  -0.402  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.522  -3.216   0.448  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.166  -2.894   0.292  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.812  -1.578   0.088  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.973   1.331   0.697  1.00  0.00           C  
HETATM    8  C   UNL     1       6.703   0.337   0.479  1.00  0.00           C  
HETATM    9  C   UNL     1       1.325  -1.657  -1.192  1.00  0.00           C  
HETATM   10  C   UNL     1       1.242  -0.402   0.869  1.00  0.00           C  
HETATM   11  C   UNL     1       2.649  -1.305  -1.349  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.466  -2.261   0.389  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.870  -0.546   0.043  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.314  -0.026   0.079  1.00  0.00           C  
HETATM   15  C   UNL     1       4.897   2.059   0.347  1.00  0.00           C  
HETATM   16  C   UNL     1       5.190   0.566   0.509  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.459   0.690  -0.107  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.171  -0.938   0.176  1.00  0.00           N  
HETATM   19  O   UNL     1      -1.876   2.991   0.579  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.778   2.133  -1.562  1.00  0.00           O  
HETATM   21  O   UNL     1       4.577  -0.159  -0.559  1.00  0.00           O  
HETATM   22  S   UNL     1      -2.508   1.967  -0.177  1.00  0.00           S  
HETATM   23  H   UNL     1       3.056   0.566   1.442  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.810  -4.243   0.613  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.412  -3.665   0.332  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.810   2.017   0.569  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.750   1.211   1.757  1.00  0.00           H  
HETATM   28  H   UNL     1       7.170   0.889   1.294  1.00  0.00           H  
HETATM   29  H   UNL     1       6.911  -0.727   0.594  1.00  0.00           H  
HETATM   30  H   UNL     1       7.104   0.684  -0.473  1.00  0.00           H  
HETATM   31  H   UNL     1       0.842  -2.284  -1.927  1.00  0.00           H  
HETATM   32  H   UNL     1       0.694  -0.056   1.733  1.00  0.00           H  
HETATM   33  H   UNL     1       3.201  -1.652  -2.209  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.500  -2.548   0.515  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.164  -0.458   0.607  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.575   0.112  -0.970  1.00  0.00           H  
HETATM   37  H   UNL     1       3.820   2.222   0.369  1.00  0.00           H  
HETATM   38  H   UNL     1       5.365   2.611   1.162  1.00  0.00           H  
HETATM   39  H   UNL     1       5.299   2.407  -0.605  1.00  0.00           H  
HETATM   40  H   UNL     1       4.789   0.218   1.461  1.00  0.00           H  
CONECT    1    3    3   10   23                                       
CONECT    2    9   10   10    6                                       
CONECT    3   21   11    1    1                                       
CONECT    4    5   12   12   24                                       
CONECT    5    4    6    6   25                                       
CONECT    6    5    5    2   13                                       
CONECT    7   14   22   26   27                                       
CONECT    8   16   28   29   30                                       
CONECT    9   11   11    2   31                                       
CONECT   10    1    2    2   32                                       
CONECT   11    3    9    9   33                                       
CONECT   12    4    4   18   34                                       
CONECT   13    6   18   17   17                                       
CONECT   14   18    7   35   36                                       
CONECT   15   16   37   38   39                                       
CONECT   16   21   15    8   40                                       
CONECT   17   13   13   22                                            
CONECT   18   12   13   14                                            
CONECT   19   22   22                                                 
CONECT   20   22   22                                                 
CONECT   21    3   16                                                 
CONECT   22   17   19   19    7                                       
CONECT   22   20   20                                                 
CONECT   23    1                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
