COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.583   3.417  -0.579  1.00  0.00           C  
HETATM    2  C   UNL     1       2.877   1.905  -0.290  1.00  0.00           C  
HETATM    3  C   UNL     1       1.945   2.949  -0.414  1.00  0.00           C  
HETATM    4  C   UNL     1       0.821   1.112  -0.098  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.914   1.157  -0.008  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.211   0.406   0.152  1.00  0.00           C  
HETATM    7  N   UNL     1       0.438  -5.120  -1.670  1.00  0.00           N1+
HETATM    8  N   UNL     1       0.382  -6.200  -1.977  1.00  0.00           N  
HETATM    9  C   UNL     1       2.678  -0.593   0.091  1.00  0.00           C  
HETATM   10  C   UNL     1       2.117  -2.839   0.018  1.00  0.00           C  
HETATM   11  C   UNL     1       0.843  -3.687   0.015  1.00  0.00           C  
HETATM   12  C   UNL     1       2.577  -1.023   1.577  1.00  0.00           C  
HETATM   13  C   UNL     1       2.431   4.247  -0.638  1.00  0.00           C  
HETATM   14  C   UNL     1       2.562  -2.567   1.467  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.645   0.339   0.249  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.817   1.317   0.143  1.00  0.00           C  
HETATM   17  N   UNL     1       1.559   5.317  -0.768  1.00  0.00           N  
HETATM   18  N   UNL     1       3.746   4.429  -0.706  1.00  0.00           N  
HETATM   19  N   UNL     1       4.173   2.182  -0.378  1.00  0.00           N  
HETATM   20  N   UNL     1       0.709   2.404  -0.288  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.384   1.068   0.094  1.00  0.00           N  
HETATM   22  N   UNL     1       2.142   0.758  -0.092  1.00  0.00           N  
HETATM   23  N   UNL     1       0.495  -4.040  -1.364  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.200  -0.793   0.332  1.00  0.00           O  
HETATM   25  O   UNL     1       1.860  -1.565  -0.596  1.00  0.00           O  
HETATM   26  O   UNL     1       3.869  -3.098   1.697  1.00  0.00           O  
HETATM   27  O   UNL     1       3.716  -0.575   2.316  1.00  0.00           O  
HETATM   28  S   UNL     1      -0.528  -0.001   0.117  1.00  0.00           S  
HETATM   29  S   UNL     1      -8.378   0.414   0.335  1.00  0.00           S  
HETATM   30  H   UNL     1       5.644   3.608  -0.646  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.894   1.644  -0.983  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.831   1.909   0.776  1.00  0.00           H  
HETATM   33  H   UNL     1       1.171  -6.649  -2.319  1.00  0.00           H  
HETATM   34  H   UNL     1       3.710  -0.646  -0.255  1.00  0.00           H  
HETATM   35  H   UNL     1       2.909  -3.358  -0.522  1.00  0.00           H  
HETATM   36  H   UNL     1       1.011  -4.597   0.591  1.00  0.00           H  
HETATM   37  H   UNL     1       0.027  -3.119   0.461  1.00  0.00           H  
HETATM   38  H   UNL     1       1.654  -0.656   2.026  1.00  0.00           H  
HETATM   39  H   UNL     1       1.848  -2.993   2.172  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.666  -0.149   1.223  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.728  -0.414  -0.536  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.733   2.069   0.927  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.796   1.804  -0.832  1.00  0.00           H  
HETATM   44  H   UNL     1       0.602   5.173  -0.705  1.00  0.00           H  
HETATM   45  H   UNL     1       1.907   6.209  -0.923  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.393   2.027  -0.051  1.00  0.00           H  
HETATM   47  H   UNL     1       3.930  -4.056   1.584  1.00  0.00           H  
HETATM   48  H   UNL     1       3.699  -0.820   3.251  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.304   1.383   0.221  1.00  0.00           H  
CONECT    1   18   18   19   30                                       
CONECT    2    3   22   19   19                                       
CONECT    3   20   13   13    2                                       
CONECT    4   20   20   28   22                                       
CONECT    5    6   28   31   32                                       
CONECT    6   24   24   21    5                                       
CONECT    7    8    8   23   23                                       
CONECT    8    7    7   33                                            
CONECT    9   25   22   12   34                                       
CONECT   10   25   11   14   35                                       
CONECT   11   23   10   36   37                                       
CONECT   12    9   14   27   38                                       
CONECT   13   17    3    3   18                                       
CONECT   14   10   12   26   39                                       
CONECT   15   16   21   40   41                                       
CONECT   16   15   29   42   43                                       
CONECT   17   13   44   45                                            
CONECT   18   13    1    1                                            
CONECT   19    2    2    1                                            
CONECT   20    3    4    4                                            
CONECT   21   15    6   46                                            
CONECT   22    4    2    9                                            
CONECT   23    7    7   11                                            
CONECT   24    6    6                                                 
CONECT   25   10    9                                                 
CONECT   26   14   47                                                 
CONECT   27   12   48                                                 
CONECT   28    5    4                                                 
CONECT   29   16   49                                                 
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
