COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.234   1.574   0.062  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.023  -1.030  -0.058  1.00  0.00           N  
HETATM    3  O   UNL     1       5.352   0.734  -1.332  1.00  0.00           O  
HETATM    4  S   UNL     1       4.881   0.592   0.108  1.00  0.00           S  
HETATM    5  C   UNL     1      -6.446   0.214   0.200  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.820  -0.569  -0.107  1.00  0.00           N  
HETATM    7  O   UNL     1      -1.336   1.352   1.123  1.00  0.00           O  
HETATM    8  S   UNL     1      -0.447   1.623  -0.082  1.00  0.00           S  
HETATM    9  C   UNL     1      -4.954   2.068  -0.117  1.00  0.00           C  
HETATM   10  O   UNL     1       5.666  -0.441   0.688  1.00  0.00           O  
HETATM   11  C   UNL     1       1.409  -3.215   0.030  1.00  0.00           C  
HETATM   12  O   UNL     1       4.815   1.909   0.639  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.380  -0.661   0.161  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.218   1.297  -1.230  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.878   1.206  -0.159  1.00  0.00           C  
HETATM   16  O   UNL     1       0.133   2.903   0.127  1.00  0.00           O  
HETATM   17  C   UNL     1       0.130  -3.673  -0.008  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.221  -3.306  -0.091  1.00  0.00           O  
HETATM   19  C   UNL     1       2.999  -1.352   0.063  1.00  0.00           C  
HETATM   20  C   UNL     1       2.169   0.896   0.014  1.00  0.00           C  
HETATM   21  C   UNL     1       1.681  -1.835   0.024  1.00  0.00           C  
HETATM   22  C   UNL     1       0.608  -0.911  -0.022  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.084  -0.170  -0.019  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.762  -1.421  -0.062  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.960  -2.804  -0.054  1.00  0.00           C  
HETATM   26  C   UNL     1       3.226  -0.009   0.059  1.00  0.00           C  
HETATM   27  C   UNL     1       0.877   0.461  -0.026  1.00  0.00           C  
HETATM   28  H   UNL     1      -7.073   2.254   0.089  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.448  -0.164   0.340  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.796   3.131  -0.224  1.00  0.00           H  
HETATM   31  H   UNL     1       2.226  -3.920   0.069  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.547  -1.722   0.270  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.880   1.592  -0.299  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.047  -4.738  -0.002  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.615  -3.441   0.781  1.00  0.00           H  
HETATM   36  H   UNL     1       3.829  -2.042   0.098  1.00  0.00           H  
HETATM   37  H   UNL     1       2.375   1.956   0.011  1.00  0.00           H  
HETATM   38  H   UNL     1       6.258   1.060  -1.419  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.089   1.953   1.200  1.00  0.00           H  
CONECT    1    5    5    9   28                                       
CONECT    2    6    6   23                                            
CONECT    3    4   38                                                 
CONECT    4    3   10   10   12                                       
CONECT    4   12   26                                                 
CONECT    5    1    1   13   29                                       
CONECT    6    2    2   24                                            
CONECT    7    8   39                                                 
CONECT    8    7   14   14   16                                       
CONECT    8   16   27                                                 
CONECT    9    1   15   15   30                                       
CONECT   10    4    4                                                 
CONECT   11   17   17   21   31                                       
CONECT   12    4    4                                                 
CONECT   13    5   23   23   32                                       
CONECT   14    8    8                                                 
CONECT   15    9    9   23   33                                       
CONECT   16    8    8                                                 
CONECT   17   11   11   25   34                                       
CONECT   18   25   35                                                 
CONECT   19   21   21   26   36                                       
CONECT   20   26   26   27   37                                       
CONECT   21   11   19   19   22                                       
CONECT   22   21   24   27   27                                       
CONECT   23    2   13   13   15                                       
CONECT   24    6   22   25   25                                       
CONECT   25   17   18   24   24                                       
CONECT   26    4   19   20   20                                       
CONECT   27    8   20   22   22                                       
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38    3                                                      
CONECT   39    7                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
