COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.859  -0.034   0.845  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.287   1.292   0.078  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.588  -0.683   0.224  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.738  -2.816  -0.290  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.523  -2.809   0.919  1.00  0.00           C  
HETATM    6  O   UNL     1       6.769  -1.730   0.678  1.00  0.00           O  
HETATM    7  N   UNL     1       5.475  -1.159   0.723  1.00  0.00           N  
HETATM    8  C   UNL     1       5.113  -0.238  -0.193  1.00  0.00           C  
HETATM    9  O   UNL     1       5.898   0.102  -1.056  1.00  0.00           O  
HETATM   10  C   UNL     1       3.763   0.357  -0.147  1.00  0.00           C  
HETATM   11  C   UNL     1       3.387   1.312  -1.096  1.00  0.00           C  
HETATM   12  C   UNL     1       2.133   1.865  -1.053  1.00  0.00           C  
HETATM   13  C   UNL     1       1.232   1.474  -0.061  1.00  0.00           C  
HETATM   14  C   UNL     1       1.606   0.520   0.887  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.123   2.071  -0.015  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.326   3.397  -0.060  1.00  0.00           C  
HETATM   17  S   UNL     1      -1.988   3.767   0.011  1.00  0.00           S  
HETATM   18  C   UNL     1      -2.424   2.067   0.105  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.408  -0.063   0.136  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.763   0.001   0.261  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.735   1.409   0.201  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.768   2.063   0.231  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.615  -2.056   0.283  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.167  -3.909  -1.201  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.193  -4.664  -0.477  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.060  -3.903  -0.051  1.00  0.00           C  
HETATM   27  H   UNL     1       3.147  -0.775   1.577  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.319  -3.273   0.512  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.375  -2.149  -0.871  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.693  -2.137   1.139  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.881  -3.264   1.843  1.00  0.00           H  
HETATM   32  H   UNL     1       6.937  -2.380   1.375  1.00  0.00           H  
HETATM   33  H   UNL     1       4.848  -1.430   1.411  1.00  0.00           H  
HETATM   34  H   UNL     1       4.085   1.615  -1.863  1.00  0.00           H  
HETATM   35  H   UNL     1       1.843   2.602  -1.786  1.00  0.00           H  
HETATM   36  H   UNL     1       0.906   0.215   1.651  1.00  0.00           H  
HETATM   37  H   UNL     1       0.460   4.134  -0.131  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.703  -0.526   0.333  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.972  -4.569  -1.526  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.699  -3.449  -2.072  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.584  -3.444  -0.917  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.349  -4.559   0.451  1.00  0.00           H  
CONECT    1   10   14   14   27                                       
CONECT    2   19   15   18   18                                       
CONECT    3   23   19   20   20                                       
CONECT    4   24   23   28   29                                       
CONECT    5   26   23   30   31                                       
CONECT    6    7   32                                                 
CONECT    7    6    8   33                                            
CONECT    8    9    9    7   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11    1                                       
CONECT   11   10   10   12   34                                       
CONECT   12   11   13   13   35                                       
CONECT   13   12   12   14   15                                       
CONECT   14    1    1   13   36                                       
CONECT   15   13    2   16   16                                       
CONECT   16   15   15   17   37                                       
CONECT   17   18   16                                                 
CONECT   18    2    2   21   17                                       
CONECT   19    3    2                                                 
CONECT   20    3    3   21   38                                       
CONECT   21   20   18   22   22                                       
CONECT   22   21   21                                                 
CONECT   23    5    4    3                                            
CONECT   24   25    4   39   40                                       
CONECT   25   26   24                                                 
CONECT   26   25    5   41   42                                       
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   20                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
