COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.071  -2.448  -0.277  1.00  0.00           C  
HETATM    2  O   UNL     1       1.203  -2.718   1.120  1.00  0.00           O  
HETATM    3  C   UNL     1       2.234  -1.566  -0.738  1.00  0.00           C  
HETATM    4  O   UNL     1       3.472  -2.216  -0.447  1.00  0.00           O  
HETATM    5  C   UNL     1       2.172  -0.226   0.001  1.00  0.00           C  
HETATM    6  O   UNL     1       3.227   0.646  -0.484  1.00  0.00           O  
HETATM    7  C   UNL     1       0.810   0.426  -0.257  1.00  0.00           C  
HETATM    8  O   UNL     1       0.713   1.662   0.499  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.298  -0.534   0.187  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.164  -1.770  -0.517  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.662   0.085  -0.123  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.695  -0.756   0.395  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.044   1.175   0.311  1.00  0.00           O  
HETATM   14  N   UNL     1      -4.445  -0.502  -1.456  1.00  0.00           N  
HETATM   15  S   UNL     1      -4.102  -0.235   0.142  1.00  0.00           S  
HETATM   16  O   UNL     1      -4.979  -1.071   0.886  1.00  0.00           O  
HETATM   17  O   UNL     1      -0.616   2.462  -1.075  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.050   2.636  -0.022  1.00  0.00           C  
HETATM   19  C   UNL     1       4.409   0.583   0.149  1.00  0.00           C  
HETATM   20  O   UNL     1       4.557  -0.175   1.078  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.198   3.947   0.706  1.00  0.00           C  
HETATM   22  C   UNL     1       5.551   1.458  -0.299  1.00  0.00           C  
HETATM   23  H   UNL     1       1.084  -3.386  -0.831  1.00  0.00           H  
HETATM   24  H   UNL     1       0.498  -3.273   1.482  1.00  0.00           H  
HETATM   25  H   UNL     1       2.157  -1.394  -1.812  1.00  0.00           H  
HETATM   26  H   UNL     1       3.577  -3.075  -0.879  1.00  0.00           H  
HETATM   27  H   UNL     1       2.301  -0.393   1.071  1.00  0.00           H  
HETATM   28  H   UNL     1       0.704   0.640  -1.320  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.215  -0.714   1.258  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.729   1.069   0.341  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.780   0.183  -1.202  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.360  -0.660  -1.736  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.730  -0.499  -2.112  1.00  0.00           H  
HETATM   34  H   UNL     1       0.781   4.412   0.821  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.849   4.608   0.134  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.634   3.769   1.689  1.00  0.00           H  
HETATM   37  H   UNL     1       5.232   2.069  -1.143  1.00  0.00           H  
HETATM   38  H   UNL     1       5.857   2.106   0.522  1.00  0.00           H  
HETATM   39  H   UNL     1       6.392   0.833  -0.601  1.00  0.00           H  
CONECT    1    2    3   10   23                                       
CONECT    2    1   24                                                 
CONECT    3    1    4    5   25                                       
CONECT    4    3   26                                                 
CONECT    5    3    6    7   27                                       
CONECT    6    5   19                                                 
CONECT    7    5    8    9   28                                       
CONECT    8    7   18                                                 
CONECT    9    7   10   11   29                                       
CONECT   10    1    9                                                 
CONECT   11    9   12   30   31                                       
CONECT   12   11   15                                                 
CONECT   13   15   15                                                 
CONECT   14   15   32   33                                            
CONECT   15   12   13   13   14                                       
CONECT   15   16   16                                                 
CONECT   16   15   15                                                 
CONECT   17   18   18                                                 
CONECT   18    8   17   17   21                                       
CONECT   19    6   20   20   22                                       
CONECT   20   19   19                                                 
CONECT   21   18   34   35   36                                       
CONECT   22   19   37   38   39                                       
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
