COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.430  -2.165  -0.055  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.787  -1.879  -0.382  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.328  -0.752   0.173  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.924   0.503  -0.215  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.925   0.704  -1.277  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.116   1.645  -2.270  1.00  0.00           N  
HETATM    7  N   UNL     1      -1.841  -0.048  -1.247  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.109  -1.276  -0.068  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.589  -0.888  -0.081  1.00  0.00           C  
HETATM   10  O   UNL     1       0.692  -0.097   0.025  1.00  0.00           O  
HETATM   11  C   UNL     1       2.041  -0.266   0.048  1.00  0.00           C  
HETATM   12  C   UNL     1       2.583  -1.542  -0.018  1.00  0.00           C  
HETATM   13  C   UNL     1       3.953  -1.706   0.007  1.00  0.00           C  
HETATM   14  C   UNL     1       4.790  -0.604   0.097  1.00  0.00           C  
HETATM   15  C   UNL     1       6.280  -0.836   0.125  1.00  0.00           C  
HETATM   16  C   UNL     1       7.016   0.466  -0.191  1.00  0.00           C  
HETATM   17  N   UNL     1       6.481   1.528   0.675  1.00  0.00           N  
HETATM   18  C   UNL     1       5.124   1.891   0.253  1.00  0.00           C  
HETATM   19  C   UNL     1       4.254   0.665   0.161  1.00  0.00           C  
HETATM   20  C   UNL     1       2.879   0.834   0.132  1.00  0.00           C  
HETATM   21  S   UNL     1      -4.770   1.717   0.720  1.00  0.00           S  
HETATM   22  C   UNL     1      -5.645   0.518   1.564  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.300  -0.705   1.158  1.00  0.00           C  
HETATM   24  H   UNL     1      -2.386  -2.605   0.942  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.029  -2.875  -0.778  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.919   2.189  -2.275  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.446   1.763  -2.961  1.00  0.00           H  
HETATM   28  H   UNL     1       0.091  -1.920   0.788  1.00  0.00           H  
HETATM   29  H   UNL     1       0.135  -1.809  -0.988  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.803  -0.311   0.818  1.00  0.00           H  
HETATM   31  H   UNL     1       1.935  -2.403  -0.089  1.00  0.00           H  
HETATM   32  H   UNL     1       4.375  -2.698  -0.043  1.00  0.00           H  
HETATM   33  H   UNL     1       6.572  -1.186   1.115  1.00  0.00           H  
HETATM   34  H   UNL     1       6.543  -1.590  -0.616  1.00  0.00           H  
HETATM   35  H   UNL     1       8.082   0.340   0.001  1.00  0.00           H  
HETATM   36  H   UNL     1       6.858   0.731  -1.237  1.00  0.00           H  
HETATM   37  H   UNL     1       6.495   1.246   1.644  1.00  0.00           H  
HETATM   38  H   UNL     1       4.695   2.583   0.977  1.00  0.00           H  
HETATM   39  H   UNL     1       5.168   2.375  -0.723  1.00  0.00           H  
HETATM   40  H   UNL     1       2.458   1.827   0.179  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.382   0.723   2.327  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.748  -1.598   1.569  1.00  0.00           H  
CONECT    1    2    9   24   25                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   23                                       
CONECT    4    3    3    5   21                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   26   27                                            
CONECT    7    5    5    9                                            
CONECT    8    9   10   28   29                                       
CONECT    9    1    7    8   30                                       
CONECT   10    8   11                                                 
CONECT   11   10   12   12   20                                       
CONECT   12   11   11   13   31                                       
CONECT   13   12   14   14   32                                       
CONECT   14   13   13   15   19                                       
CONECT   15   14   16   33   34                                       
CONECT   16   15   17   35   36                                       
CONECT   17   16   18   37                                            
CONECT   18   17   19   38   39                                       
CONECT   19   14   18   20   20                                       
CONECT   20   11   19   19   40                                       
CONECT   21    4   22                                                 
CONECT   22   21   23   23   41                                       
CONECT   23    3   22   22   42                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
