COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.377  -0.401   0.355  1.00  0.00           C  
HETATM    2  O   UNL     1       3.979  -1.436   0.142  1.00  0.00           O  
HETATM    3  N   UNL     1       2.112  -0.439   0.817  1.00  0.00           N  
HETATM    4  C   UNL     1       1.507  -1.706   1.257  1.00  0.00           C  
HETATM    5  C   UNL     1       0.156  -1.870   0.553  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.664  -0.675   0.789  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.043   0.522   0.205  1.00  0.00           C  
HETATM    8  C   UNL     1       1.302   0.785   0.901  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.949  -0.851   0.307  1.00  0.00           C  
HETATM   10  S   UNL     1      -2.589  -2.246  -0.476  1.00  0.00           S  
HETATM   11  N   UNL     1      -4.139  -1.584  -0.693  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.089  -0.382  -0.178  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.943   0.006   0.353  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.275   0.509  -0.184  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.474   0.073  -0.745  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.574   0.905  -0.748  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.489   2.171  -0.195  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.302   2.609   0.363  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.196   1.782   0.377  1.00  0.00           C  
HETATM   20  H   UNL     1       2.161  -2.536   0.991  1.00  0.00           H  
HETATM   21  H   UNL     1       1.360  -1.686   2.337  1.00  0.00           H  
HETATM   22  H   UNL     1       0.317  -1.995  -0.518  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.356  -2.747   0.948  1.00  0.00           H  
HETATM   24  H   UNL     1       0.120   0.364  -0.861  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.700   1.380   0.350  1.00  0.00           H  
HETATM   26  H   UNL     1       1.132   1.041   1.947  1.00  0.00           H  
HETATM   27  H   UNL     1       1.821   1.603   0.401  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.541  -0.915  -1.178  1.00  0.00           H  
HETATM   29  H   UNL     1      -8.504   0.569  -1.183  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.353   2.819  -0.200  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.241   3.597   0.793  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.270   2.125   0.813  1.00  0.00           H  
HETATM   33  C   UNL     1       5.343   0.831  -0.176  1.00  0.00           C  
HETATM   34  N   UNL     1       3.978   0.785   0.133  1.00  0.00           N  
HETATM   35  C   UNL     1       6.085   1.983   0.073  1.00  0.00           C  
HETATM   36  C   UNL     1       7.432   1.980  -0.250  1.00  0.00           C  
HETATM   37  C   UNL     1       7.991   0.844  -0.805  1.00  0.00           C  
HETATM   38  N   UNL     1       7.260  -0.230  -1.029  1.00  0.00           N  
HETATM   39  C   UNL     1       5.977  -0.272  -0.731  1.00  0.00           C  
HETATM   40  H   UNL     1       3.465   1.606   0.187  1.00  0.00           H  
HETATM   41  H   UNL     1       5.622   2.857   0.507  1.00  0.00           H  
HETATM   42  H   UNL     1       8.038   2.856  -0.071  1.00  0.00           H  
HETATM   43  H   UNL     1       9.041   0.837  -1.059  1.00  0.00           H  
HETATM   44  H   UNL     1       5.411  -1.171  -0.929  1.00  0.00           H  
CONECT    1    2    2    3   34                                       
CONECT    2    1    1                                                 
CONECT    3    4    1    8                                            
CONECT    4    5    3   20   21                                       
CONECT    5    4    6   22   23                                       
CONECT    6    5    9    7                                            
CONECT    7    6    8   24   25                                       
CONECT    8    3    7   26   27                                       
CONECT    9   13   13    6   10                                       
CONECT   10    9   11                                                 
CONECT   11   12   12   10                                            
CONECT   12   14   13   11   11                                       
CONECT   13   12    9    9                                            
CONECT   14   19   19   15   12                                       
CONECT   15   16   16   14   28                                       
CONECT   16   17   15   15   29                                       
CONECT   17   18   18   16   30                                       
CONECT   18   17   17   19   31                                       
CONECT   19   18   14   14   32                                       
CONECT   20    4                                                      
CONECT   21    4                                                      
CONECT   22    5                                                      
CONECT   23    5                                                      
CONECT   24    7                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28   15                                                      
CONECT   29   16                                                      
CONECT   30   17                                                      
CONECT   31   18                                                      
CONECT   32   19                                                      
CONECT   33   34   35   39   39                                       
CONECT   34   33    1   40                                            
CONECT   35   33   36   36   41                                       
CONECT   36   35   35   37   42                                       
CONECT   37   36   38   38   43                                       
CONECT   38   37   37   39                                            
CONECT   39   38   33   33   44                                       
CONECT   40   34                                                      
CONECT   41   35                                                      
CONECT   42   36                                                      
CONECT   43   37                                                      
CONECT   44   39                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
