COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.698  -0.570   1.929  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.365   1.192   5.004  1.00  0.00           C  
HETATM    3  C   UNL     1       0.022   0.372   2.702  1.00  0.00           C  
HETATM    4  C   UNL     1       0.625  -0.683   0.560  1.00  0.00           C  
HETATM    5  C   UNL     1       1.454  -1.985  -1.369  1.00  0.00           C  
HETATM    6  C   UNL     1       1.364  -1.666   0.045  1.00  0.00           C  
HETATM    7  C   UNL     1       1.995   4.706   5.647  1.00  0.00           C  
HETATM    8  C   UNL     1       1.069   4.669   4.603  1.00  0.00           C  
HETATM    9  C   UNL     1       0.301   3.524   4.394  1.00  0.00           C  
HETATM   10  C   UNL     1       1.383   2.454   6.271  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.260  -0.292  -4.109  1.00  0.00           C  
HETATM   12  C   UNL     1       0.463   2.425   5.229  1.00  0.00           C  
HETATM   13  O   UNL     1       2.140  -2.894  -1.828  1.00  0.00           O  
HETATM   14  O   UNL     1       0.667  -1.125  -2.072  1.00  0.00           O  
HETATM   15  C   UNL     1       0.648  -1.313  -3.491  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.609  -0.584  -4.279  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.454   0.366  -4.854  1.00  0.00           C  
HETATM   18  C   UNL     1       0.254   0.937  -4.506  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.591   1.887  -5.080  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.945   1.601  -5.254  1.00  0.00           C  
HETATM   21  C   UNL     1       1.542  -1.531   2.439  1.00  0.00           C  
HETATM   22  S   UNL     1       2.240  -2.565   1.222  1.00  0.00           S  
HETATM   23  C   UNL     1       1.789  -1.645   3.744  1.00  0.00           C  
HETATM   24  C   UNL     1       1.131  -0.704   4.684  1.00  0.00           C  
HETATM   25  O   UNL     1       1.352  -0.811   5.889  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.731   1.221   2.218  1.00  0.00           O  
HETATM   27  N   UNL     1       0.287   0.256   4.095  1.00  0.00           N  
HETATM   28  C   UNL     1       2.151   3.599   6.480  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.547   0.672   5.950  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.341   1.447   4.579  1.00  0.00           H  
HETATM   31  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   32  H   UNL     1       2.593   5.598   5.810  1.00  0.00           H  
HETATM   33  H   UNL     1       0.948   5.531   3.954  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.418   3.503   3.579  1.00  0.00           H  
HETATM   35  H   UNL     1       1.511   1.596   6.926  1.00  0.00           H  
HETATM   36  H   UNL     1       0.304  -2.329  -3.712  1.00  0.00           H  
HETATM   37  H   UNL     1       1.667  -1.212  -3.880  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.015  -1.544  -3.971  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.508   0.143  -4.990  1.00  0.00           H  
HETATM   40  H   UNL     1       1.308   1.169  -4.374  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.194   2.849  -5.392  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.603   2.340  -5.702  1.00  0.00           H  
HETATM   43  H   UNL     1       2.450  -2.397   4.159  1.00  0.00           H  
HETATM   44  H   UNL     1       2.872   3.629   7.293  1.00  0.00           H  
CONECT    1   21    3    4                                            
CONECT    2   27   12   29   30                                       
CONECT    3    1   27   26   26                                       
CONECT    4    1    6    6   31                                       
CONECT    5    6   14   13   13                                       
CONECT    6    4    4    5   22                                       
CONECT    7    8   28   28   32                                       
CONECT    8    7    9    9   33                                       
CONECT    9    8    8   12   34                                       
CONECT   10   12   12   28   35                                       
CONECT   11   15   18   18   16                                       
CONECT   12    2    9   10   10                                       
CONECT   13    5    5                                                 
CONECT   14    5   15                                                 
CONECT   15   11   14   36   37                                       
CONECT   16   11   17   17   38                                       
CONECT   17   16   16   20   39                                       
CONECT   18   11   11   19   40                                       
CONECT   19   18   20   20   41                                       
CONECT   20   17   19   19   42                                       
CONECT   21    1   23   23   22                                       
CONECT   22    6   21                                                 
CONECT   23   21   21   24   43                                       
CONECT   24   23   25   25   27                                       
CONECT   25   24   24                                                 
CONECT   26    3    3                                                 
CONECT   27    2    3   24                                            
CONECT   28    7    7   10   44                                       
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   23                                                      
CONECT   44   28                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
