COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.319   0.993  -0.181  1.00  0.00           N  
HETATM    2  C   UNL     1       0.276   2.822   0.067  1.00  0.00           C  
HETATM    3  C   UNL     1       0.001   1.449  -0.023  1.00  0.00           C  
HETATM    4  C   UNL     1       1.071   0.549  -0.149  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.575  -0.269  -0.071  1.00  0.00           C  
HETATM    6  C   UNL     1       4.890   1.665  -0.266  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.642  -3.535  -0.316  1.00  0.00           C  
HETATM    8  C   UNL     1       5.209  -2.010   0.883  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.055   1.512  -1.192  1.00  0.00           C  
HETATM   10  C   UNL     1       1.593   3.232   0.029  1.00  0.00           C  
HETATM   11  C   UNL     1       2.601   2.282  -0.098  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.285   1.011   0.012  1.00  0.00           N  
HETATM   13  O   UNL     1       3.897   2.684  -0.135  1.00  0.00           O  
HETATM   14  N   UNL     1      -2.892  -0.687  -0.033  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.498  -1.248  -0.203  1.00  0.00           C  
HETATM   16  N   UNL     1       0.814  -0.811  -0.239  1.00  0.00           N  
HETATM   17  C   UNL     1       1.590  -1.903  -0.364  1.00  0.00           C  
HETATM   18  N   UNL     1       0.827  -2.967  -0.404  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.455  -2.607  -0.309  1.00  0.00           C  
HETATM   20  C   UNL     1       3.095  -1.902  -0.444  1.00  0.00           C  
HETATM   21  C   UNL     1       3.681  -2.011   0.965  1.00  0.00           C  
HETATM   22  S   UNL     1      -4.101   0.410   0.248  1.00  0.00           S  
HETATM   23  O   UNL     1      -3.683   1.099   1.418  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.289  -0.370   0.241  1.00  0.00           O  
HETATM   25  H   UNL     1      -0.524   3.540   0.165  1.00  0.00           H  
HETATM   26  H   UNL     1       4.726   1.115  -1.193  1.00  0.00           H  
HETATM   27  H   UNL     1       5.879   2.121  -0.283  1.00  0.00           H  
HETATM   28  H   UNL     1       4.820   0.980   0.579  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.046  -3.600  -1.327  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.331  -4.526   0.015  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.408  -3.151   0.357  1.00  0.00           H  
HETATM   32  H   UNL     1       5.541  -2.858   0.285  1.00  0.00           H  
HETATM   33  H   UNL     1       5.547  -1.083   0.419  1.00  0.00           H  
HETATM   34  H   UNL     1       5.626  -2.087   1.887  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.232   0.934  -2.098  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.827   2.275  -1.090  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.077   1.991  -1.252  1.00  0.00           H  
HETATM   38  H   UNL     1       1.839   4.281   0.095  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.108  -1.622  -0.171  1.00  0.00           H  
HETATM   40  H   UNL     1       3.427  -2.750  -1.043  1.00  0.00           H  
HETATM   41  H   UNL     1       3.433  -0.975  -0.908  1.00  0.00           H  
HETATM   42  H   UNL     1       3.342  -2.937   1.428  1.00  0.00           H  
HETATM   43  H   UNL     1       3.349  -1.162   1.563  1.00  0.00           H  
CONECT    1   11    4    4                                            
CONECT    2   10    3    3   25                                       
CONECT    3    2    2    4   12                                       
CONECT    4    1    1    3   16                                       
CONECT    5   12   12   14   15                                       
CONECT    6   13   26   27   28                                       
CONECT    7   19   29   30   31                                       
CONECT    8   21   32   33   34                                       
CONECT    9   22   35   36   37                                       
CONECT   10   11   11    2   38                                       
CONECT   11   10   10    1   13                                       
CONECT   12    3    5    5                                            
CONECT   13   11    6                                                 
CONECT   14    5   22   39                                            
CONECT   15    5   16   19   19                                       
CONECT   16    4   15   17                                            
CONECT   17   16   18   18   20                                       
CONECT   18   17   17   19                                            
CONECT   19   15   15   18    7                                       
CONECT   20   17   21   40   41                                       
CONECT   21   20    8   42   43                                       
CONECT   22   14   23   23   24                                       
CONECT   22   24    9                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25    2                                                      
CONECT   26    6                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   14                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
