COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.560   0.699   0.680  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.182  -0.466   0.011  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.848  -0.817  -0.072  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.879   0.001   0.519  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.266   1.165   1.188  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.599   1.508   1.266  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.877   1.032   0.746  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.689   0.669  -0.373  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.405  -0.759  -0.763  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.169  -1.273  -0.573  1.00  0.00           N  
HETATM   11  O   UNL     1      -6.283  -1.446  -1.242  1.00  0.00           O  
HETATM   12  C   UNL     1       0.546  -0.365   0.437  1.00  0.00           C  
HETATM   13  C   UNL     1       1.531   0.557   1.093  1.00  0.00           C  
HETATM   14  S   UNL     1       2.875  -0.385   1.865  1.00  0.00           S  
HETATM   15  C   UNL     1       3.151  -1.546   0.567  1.00  0.00           C  
HETATM   16  N   UNL     1       2.140  -1.937  -0.282  1.00  0.00           N  
HETATM   17  N   UNL     1       0.840  -1.451  -0.187  1.00  0.00           N  
HETATM   18  N   UNL     1       4.228  -2.174   0.211  1.00  0.00           N  
HETATM   19  N   UNL     1       3.968  -2.935  -0.798  1.00  0.00           N  
HETATM   20  C   UNL     1       2.708  -2.828  -1.135  1.00  0.00           C  
HETATM   21  C   UNL     1       2.108   1.486   0.056  1.00  0.00           C  
HETATM   22  C   UNL     1       1.948   2.853   0.187  1.00  0.00           C  
HETATM   23  C   UNL     1       2.477   3.705  -0.764  1.00  0.00           C  
HETATM   24  C   UNL     1       3.167   3.191  -1.846  1.00  0.00           C  
HETATM   25  C   UNL     1       3.327   1.824  -1.977  1.00  0.00           C  
HETATM   26  C   UNL     1       2.802   0.972  -1.023  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.554  -1.718  -0.589  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.519   1.797   1.646  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.895   2.408   1.784  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.741   0.770  -0.107  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.463   1.327  -1.213  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.967  -2.183  -0.841  1.00  0.00           H  
HETATM   33  H   UNL     1       1.019   1.145   1.855  1.00  0.00           H  
HETATM   34  H   UNL     1       2.213  -3.350  -1.940  1.00  0.00           H  
HETATM   35  H   UNL     1       1.409   3.255   1.032  1.00  0.00           H  
HETATM   36  H   UNL     1       2.352   4.773  -0.662  1.00  0.00           H  
HETATM   37  H   UNL     1       3.580   3.856  -2.589  1.00  0.00           H  
HETATM   38  H   UNL     1       3.866   1.422  -2.822  1.00  0.00           H  
HETATM   39  H   UNL     1       2.931  -0.096  -1.123  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   10                                       
CONECT    3    2    4    4   27                                       
CONECT    4    3    3    5   12                                       
CONECT    5    4    6    6   28                                       
CONECT    6    1    5    5   29                                       
CONECT    7    1    8                                                 
CONECT    8    7    9   30   31                                       
CONECT    9    8   10   11   11                                       
CONECT   10    2    9   32                                            
CONECT   11    9    9                                                 
CONECT   12    4   13   17   17                                       
CONECT   13   12   14   21   33                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   18   18                                       
CONECT   16   15   17   20                                            
CONECT   17   12   12   16                                            
CONECT   18   15   15   19                                            
CONECT   19   18   20   20                                            
CONECT   20   16   19   19   34                                       
CONECT   21   13   22   22   26                                       
CONECT   22   21   21   23   35                                       
CONECT   23   22   24   24   36                                       
CONECT   24   23   23   25   37                                       
CONECT   25   24   26   26   38                                       
CONECT   26   21   25   25   39                                       
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   13                                                      
CONECT   34   20                                                      
CONECT   35   22                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
CONECT   38   25                                                      
CONECT   39   26                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
