COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.527  -0.613  -0.022  1.00  0.00           C  
HETATM    2  C   UNL     1       2.203   0.711  -0.367  1.00  0.00           C  
HETATM    3  C   UNL     1       3.151   1.721  -0.140  1.00  0.00           C  
HETATM    4  N   UNL     1       4.321   1.382   0.394  1.00  0.00           N  
HETATM    5  N   UNL     1       3.726  -0.860   0.504  1.00  0.00           N  
HETATM    6  C   UNL     1       0.800  -3.135   1.251  1.00  0.00           C  
HETATM    7  C   UNL     1       1.368  -2.843  -0.139  1.00  0.00           C  
HETATM    8  N   UNL     1       1.446  -1.394  -0.340  1.00  0.00           N  
HETATM    9  C   UNL     1       4.589   0.121   0.706  1.00  0.00           C  
HETATM   10  N   UNL     1       5.826  -0.182   1.255  1.00  0.00           N  
HETATM   11  N   UNL     1       2.876   3.038  -0.465  1.00  0.00           N  
HETATM   12  C   UNL     1       0.848   0.673  -0.916  1.00  0.00           C  
HETATM   13  C   UNL     1       0.053   1.846  -1.430  1.00  0.00           C  
HETATM   14  C   UNL     1       0.446  -0.617  -0.874  1.00  0.00           C  
HETATM   15  S   UNL     1      -1.120  -1.212  -1.422  1.00  0.00           S  
HETATM   16  C   UNL     1      -2.256  -0.329  -0.404  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.622  -0.537  -0.546  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.787   0.571   0.545  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.678   1.262   1.342  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.038   1.061   1.199  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.513   0.159   0.255  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.850  -0.038   0.116  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.710   0.717   0.972  1.00  0.00           C  
HETATM   24  H   UNL     1      -0.197  -2.703   1.334  1.00  0.00           H  
HETATM   25  H   UNL     1       0.742  -4.213   1.401  1.00  0.00           H  
HETATM   26  H   UNL     1       1.450  -2.698   2.009  1.00  0.00           H  
HETATM   27  H   UNL     1       2.365  -3.276  -0.222  1.00  0.00           H  
HETATM   28  H   UNL     1       0.718  -3.280  -0.897  1.00  0.00           H  
HETATM   29  H   UNL     1       6.044  -1.099   1.484  1.00  0.00           H  
HETATM   30  H   UNL     1       6.473   0.524   1.411  1.00  0.00           H  
HETATM   31  H   UNL     1       2.019   3.272  -0.854  1.00  0.00           H  
HETATM   32  H   UNL     1       3.539   3.727  -0.303  1.00  0.00           H  
HETATM   33  H   UNL     1       0.247   1.978  -2.494  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.010   1.660  -1.275  1.00  0.00           H  
HETATM   35  H   UNL     1       0.346   2.747  -0.892  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.990  -1.238  -1.281  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.725   0.729   0.660  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.312   1.961   2.080  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.732   1.602   1.824  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.748   0.466   0.757  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.486   0.480   2.012  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.551   1.782   0.800  1.00  0.00           H  
CONECT    1    5    8    2    2                                       
CONECT    2    1    1    3   12                                       
CONECT    3    4    4    2   11                                       
CONECT    4    9    3    3                                            
CONECT    5    9    9    1                                            
CONECT    6    7   24   25   26                                       
CONECT    7    6    8   27   28                                       
CONECT    8    7    1   14                                            
CONECT    9   10    5    5    4                                       
CONECT   10    9   29   30                                            
CONECT   11    3   31   32                                            
CONECT   12    2   14   14   13                                       
CONECT   13   12   33   34   35                                       
CONECT   14    8   12   12   15                                       
CONECT   15   14   16                                                 
CONECT   16   18   18   17   15                                       
CONECT   17   21   21   16   36                                       
CONECT   18   19   16   16   37                                       
CONECT   19   20   20   18   38                                       
CONECT   20   19   19   21   39                                       
CONECT   21   22   20   17   17                                       
CONECT   22   23   21                                                 
CONECT   23   22   40   41   42                                       
CONECT   24    6                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
