COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.806   3.234   1.330  1.00  0.00           C  
HETATM    2  C   UNL     1       6.290   2.544   0.065  1.00  0.00           C  
HETATM    3  N   UNL     1       5.308   1.521   0.433  1.00  0.00           N  
HETATM    4  C   UNL     1       4.716   0.780  -0.524  1.00  0.00           C  
HETATM    5  O   UNL     1       4.996   0.961  -1.693  1.00  0.00           O  
HETATM    6  N   UNL     1       3.812  -0.161  -0.185  1.00  0.00           N  
HETATM    7  C   UNL     1       3.168  -0.966  -1.226  1.00  0.00           C  
HETATM    8  C   UNL     1       2.208  -1.937  -0.588  1.00  0.00           C  
HETATM    9  C   UNL     1       2.580  -3.253  -0.399  1.00  0.00           C  
HETATM   10  C   UNL     1       1.699  -4.145   0.186  1.00  0.00           C  
HETATM   11  C   UNL     1       0.444  -3.722   0.585  1.00  0.00           C  
HETATM   12  C   UNL     1       0.066  -2.407   0.399  1.00  0.00           C  
HETATM   13  C   UNL     1       0.950  -1.507  -0.184  1.00  0.00           C  
HETATM   14  S   UNL     1       0.474   0.174  -0.416  1.00  0.00           S  
HETATM   15  C   UNL     1      -1.090   0.258   0.390  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.171   0.094   1.788  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.380   0.160   2.406  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.537   0.391   1.637  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.821   0.504   1.938  1.00  0.00           N  
HETATM   20  N   UNL     1      -5.496   0.716   0.863  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.699   0.750  -0.174  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.110   0.976  -1.606  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.082  -0.125  -2.037  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.794   2.338  -1.732  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.432   0.547   0.277  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.213   0.484  -0.336  1.00  0.00           C  
HETATM   27  H   UNL     1       7.537   3.995   1.056  1.00  0.00           H  
HETATM   28  H   UNL     1       5.973   3.702   1.854  1.00  0.00           H  
HETATM   29  H   UNL     1       7.276   2.496   1.980  1.00  0.00           H  
HETATM   30  H   UNL     1       5.820   3.281  -0.585  1.00  0.00           H  
HETATM   31  H   UNL     1       7.123   2.076  -0.459  1.00  0.00           H  
HETATM   32  H   UNL     1       5.084   1.377   1.366  1.00  0.00           H  
HETATM   33  H   UNL     1       3.589  -0.305   0.747  1.00  0.00           H  
HETATM   34  H   UNL     1       2.624  -0.312  -1.907  1.00  0.00           H  
HETATM   35  H   UNL     1       3.927  -1.517  -1.781  1.00  0.00           H  
HETATM   36  H   UNL     1       3.559  -3.587  -0.710  1.00  0.00           H  
HETATM   37  H   UNL     1       1.993  -5.174   0.332  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.241  -4.421   1.041  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.914  -2.078   0.710  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.276  -0.083   2.366  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.144   0.613  -1.406  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.453   0.036   3.476  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.227   0.952  -2.245  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.964  -0.101  -1.398  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.379   0.038  -3.073  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.594  -1.095  -1.947  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.677   2.362  -1.093  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.102   3.122  -1.425  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.091   2.501  -2.768  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2    4   32                                            
CONECT    4    3    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   33                                            
CONECT    7    6    8   34   35                                       
CONECT    8    7    9   13   13                                       
CONECT    9    8   10   10   36                                       
CONECT   10    9    9   11   37                                       
CONECT   11   10   12   12   38                                       
CONECT   12   11   11   13   39                                       
CONECT   13    8    8   12   14                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   26   26                                       
CONECT   16   15   17   17   40                                       
CONECT   17   16   16   18   42                                       
CONECT   18   17   19   19   25                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   21                                            
CONECT   21   20   20   22   25                                       
CONECT   22   21   23   24   43                                       
CONECT   23   22   44   45   46                                       
CONECT   24   22   47   48   49                                       
CONECT   25   18   21   26                                            
CONECT   26   15   15   25   41                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
CONECT   41   26                                                      
CONECT   42   17                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
