COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.267  -1.790  -0.875  1.00  0.00           C  
HETATM    2  C   UNL     1       3.109  -1.679   1.607  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.469   0.029   0.459  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.207   0.224   0.074  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.671  -1.628  -0.655  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.569  -1.001  -0.158  1.00  0.00           C  
HETATM    7  N   UNL     1       0.708   2.575  -1.436  1.00  0.00           N  
HETATM    8  C   UNL     1       0.706   2.344  -0.109  1.00  0.00           C  
HETATM    9  O   UNL     1       0.478   3.253   0.667  1.00  0.00           O  
HETATM   10  C   UNL     1       0.980   0.996   0.400  1.00  0.00           C  
HETATM   11  C   UNL     1       2.217   0.469   0.730  1.00  0.00           C  
HETATM   12  N   UNL     1       3.453   1.067   0.653  1.00  0.00           N  
HETATM   13  C   UNL     1       4.309   0.383  -0.326  1.00  0.00           C  
HETATM   14  C   UNL     1       5.081  -0.748   0.379  1.00  0.00           C  
HETATM   15  C   UNL     1       4.070  -1.906   0.438  1.00  0.00           C  
HETATM   16  C   UNL     1       3.411  -0.335  -1.353  1.00  0.00           C  
HETATM   17  O   UNL     1       4.022  -0.303  -2.644  1.00  0.00           O  
HETATM   18  N   UNL     1       2.016  -0.810   1.164  1.00  0.00           N  
HETATM   19  N   UNL     1       0.657  -1.105   1.109  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.004  -0.062   0.662  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.129   1.240   0.690  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.477   1.332   0.500  1.00  0.00           C  
HETATM   23  S   UNL     1      -5.925   0.010  -0.251  1.00  0.00           S  
HETATM   24  N   UNL     1      -4.438  -1.952  -0.551  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.177  -1.083   0.036  1.00  0.00           C  
HETATM   26  H   UNL     1       3.675  -2.471  -1.623  1.00  0.00           H  
HETATM   27  H   UNL     1       2.218  -2.022  -0.693  1.00  0.00           H  
HETATM   28  H   UNL     1       2.703  -2.635   1.937  1.00  0.00           H  
HETATM   29  H   UNL     1       3.642  -1.205   2.432  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.454  -2.306  -0.960  1.00  0.00           H  
HETATM   31  H   UNL     1       0.890   1.851  -2.055  1.00  0.00           H  
HETATM   32  H   UNL     1       0.527   3.467  -1.773  1.00  0.00           H  
HETATM   33  H   UNL     1       3.896   1.100   1.559  1.00  0.00           H  
HETATM   34  H   UNL     1       4.992   1.084  -0.807  1.00  0.00           H  
HETATM   35  H   UNL     1       5.957  -1.034  -0.204  1.00  0.00           H  
HETATM   36  H   UNL     1       5.372  -0.443   1.384  1.00  0.00           H  
HETATM   37  H   UNL     1       4.576  -2.869   0.510  1.00  0.00           H  
HETATM   38  H   UNL     1       2.432   0.143  -1.391  1.00  0.00           H  
HETATM   39  H   UNL     1       3.505  -0.739  -3.335  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.571   2.104   1.020  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.982   2.270   0.680  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.661  -2.014  -0.145  1.00  0.00           H  
CONECT    1   16   15   26   27                                       
CONECT    2   15   18   28   29                                       
CONECT    3   20   21   21   25                                       
CONECT    4   22   22    6   23                                       
CONECT    5   23   24   24   30                                       
CONECT    6   25   25    4   24                                       
CONECT    7    8   31   32                                            
CONECT    8    9    9    7   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   20                                       
CONECT   11   12   10   10   18                                       
CONECT   12   13   11   33                                            
CONECT   13   16   12   14   34                                       
CONECT   14   13   15   35   36                                       
CONECT   15    1   14    2   37                                       
CONECT   16   17   13    1   38                                       
CONECT   17   16   39                                                 
CONECT   18   11    2   19                                            
CONECT   19   18   20   20                                            
CONECT   20   10   19   19    3                                       
CONECT   21    3    3   22   40                                       
CONECT   22   21    4    4   41                                       
CONECT   23    4    5                                                 
CONECT   24    6    5    5                                            
CONECT   25    3    6    6   42                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
