COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.096  -1.214   0.801  1.00  0.00           O  
HETATM    2  O   UNL     1       4.961  -2.752  -0.740  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.212  -0.041   0.514  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.989   0.832   0.403  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.739   0.000   0.697  1.00  0.00           C  
HETATM    6  C   UNL     1       0.502   0.886   0.583  1.00  0.00           C  
HETATM    7  C   UNL     1       1.752   0.054   0.877  1.00  0.00           C  
HETATM    8  C   UNL     1       2.994   0.941   0.764  1.00  0.00           C  
HETATM    9  S   UNL     1       3.244   1.493  -0.972  1.00  0.00           S  
HETATM   10  C   UNL     1       5.065   1.693  -0.810  1.00  0.00           C  
HETATM   11  C   UNL     1       5.446   0.555   0.158  1.00  0.00           C  
HETATM   12  N   UNL     1       5.761  -0.655  -0.618  1.00  0.00           N  
HETATM   13  C   UNL     1       4.924  -1.637  -0.256  1.00  0.00           C  
HETATM   14  N   UNL     1       4.043  -1.279   0.688  1.00  0.00           N  
HETATM   15  C   UNL     1       4.273   0.129   1.049  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.435   0.480   0.290  1.00  0.00           N  
HETATM   17  C   UNL     1      -5.623  -0.371   0.393  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.880   0.492   0.649  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.481   0.659  -0.769  1.00  0.00           C  
HETATM   20  N   UNL     1      -7.234  -0.663  -1.400  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.890  -1.081  -0.947  1.00  0.00           C  
HETATM   22  H   UNL     1      -1.925   1.240  -0.606  1.00  0.00           H  
HETATM   23  H   UNL     1      -2.059   1.649   1.121  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.804  -0.408   1.706  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.669  -0.817  -0.022  1.00  0.00           H  
HETATM   26  H   UNL     1       0.567   1.294  -0.426  1.00  0.00           H  
HETATM   27  H   UNL     1       0.433   1.703   1.302  1.00  0.00           H  
HETATM   28  H   UNL     1       1.688  -0.354   1.886  1.00  0.00           H  
HETATM   29  H   UNL     1       1.822  -0.763   0.159  1.00  0.00           H  
HETATM   30  H   UNL     1       2.918   1.796   1.435  1.00  0.00           H  
HETATM   31  H   UNL     1       5.556   1.560  -1.774  1.00  0.00           H  
HETATM   32  H   UNL     1       5.311   2.665  -0.383  1.00  0.00           H  
HETATM   33  H   UNL     1       6.298   0.850   0.770  1.00  0.00           H  
HETATM   34  H   UNL     1       6.462  -0.730  -1.284  1.00  0.00           H  
HETATM   35  H   UNL     1       3.364  -1.855   1.071  1.00  0.00           H  
HETATM   36  H   UNL     1       4.549   0.208   2.100  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.528   1.418   0.061  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.496  -1.103   1.191  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.578  -0.028   1.305  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.604   1.461   1.067  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.550   0.864  -0.712  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.965   1.448  -1.316  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.934  -1.334  -1.121  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.141  -0.783  -1.681  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.865  -2.162  -0.806  1.00  0.00           H  
CONECT    1    3    3                                                 
CONECT    2   13   13                                                 
CONECT    3    1    1    4   16                                       
CONECT    4    5    3   22   23                                       
CONECT    5    6    4   24   25                                       
CONECT    6    7    5   26   27                                       
CONECT    7    8    6   28   29                                       
CONECT    8   15    9    7   30                                       
CONECT    9   10    8                                                 
CONECT   10   11    9   31   32                                       
CONECT   11   12   10   15   33                                       
CONECT   12   11   13   34                                            
CONECT   13   12    2    2   14                                       
CONECT   14   13   15   35                                            
CONECT   15   11   14    8   36                                       
CONECT   16    3   17   37                                            
CONECT   17   18   16   21   38                                       
CONECT   18   19   17   39   40                                       
CONECT   19   18   20   41   42                                       
CONECT   20   19   21   43                                            
CONECT   21   17   20   44   45                                       
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
