COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.559  -3.119  -0.254  1.00  0.00           C  
HETATM    2  C   UNL     1       2.176  -3.076  -0.338  1.00  0.00           C  
HETATM    3  O   UNL     1       3.293   4.634  -1.151  1.00  0.00           O  
HETATM    4  N   UNL     1      -6.126  -0.655  -0.017  1.00  0.00           N  
HETATM    5  C   UNL     1       4.278  -2.017   0.240  1.00  0.00           C  
HETATM    6  C   UNL     1       4.259  -4.297  -0.667  1.00  0.00           C  
HETATM    7  C   UNL     1       1.493  -1.919   0.068  1.00  0.00           C  
HETATM    8  C   UNL     1       2.234  -0.814   0.558  1.00  0.00           C  
HETATM    9  C   UNL     1       3.634  -0.889   0.638  1.00  0.00           C  
HETATM   10  N   UNL     1       0.160  -1.850  -0.004  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.491  -0.767   0.375  1.00  0.00           C  
HETATM   12  C   UNL     1       0.186   0.360   0.869  1.00  0.00           C  
HETATM   13  C   UNL     1       1.545   0.347   0.965  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.969  -0.739   0.276  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.674   0.399   0.667  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.049   0.425   0.569  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.733  -0.683   0.081  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.033  -1.819  -0.308  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.658  -1.850  -0.213  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.758   0.500  -0.307  1.00  0.00           C  
HETATM   21  O   UNL     1      -6.114   1.492  -0.577  1.00  0.00           O  
HETATM   22  C   UNL     1      -8.264   0.558  -0.296  1.00  0.00           C  
HETATM   23  C   UNL     1       2.293   1.544   1.492  1.00  0.00           C  
HETATM   24  N   UNL     1       2.839   2.315   0.367  1.00  0.00           N  
HETATM   25  C   UNL     1       1.760   2.911  -0.435  1.00  0.00           C  
HETATM   26  C   UNL     1       2.369   3.653  -1.628  1.00  0.00           C  
HETATM   27  C   UNL     1       4.357   4.089  -0.366  1.00  0.00           C  
HETATM   28  C   UNL     1       3.769   3.351   0.840  1.00  0.00           C  
HETATM   29  N   UNL     1       4.815  -5.232  -0.995  1.00  0.00           N  
HETATM   30  H   UNL     1       1.628  -3.927  -0.715  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.639  -1.466   0.124  1.00  0.00           H  
HETATM   32  H   UNL     1       5.355  -2.068   0.304  1.00  0.00           H  
HETATM   33  H   UNL     1       4.199  -0.048   1.012  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.370   1.235   1.173  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.143   1.260   1.046  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.595   1.306   0.871  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.566  -2.679  -0.686  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.114  -2.731  -0.520  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.663  -0.421  -0.033  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.593   1.294   0.438  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.623   0.844  -1.284  1.00  0.00           H  
HETATM   42  H   UNL     1       1.614   2.173   2.068  1.00  0.00           H  
HETATM   43  H   UNL     1       3.109   1.209   2.133  1.00  0.00           H  
HETATM   44  H   UNL     1       1.098   2.124  -0.796  1.00  0.00           H  
HETATM   45  H   UNL     1       1.194   3.611   0.179  1.00  0.00           H  
HETATM   46  H   UNL     1       1.577   4.144  -2.194  1.00  0.00           H  
HETATM   47  H   UNL     1       2.890   2.944  -2.270  1.00  0.00           H  
HETATM   48  H   UNL     1       4.937   3.392  -0.972  1.00  0.00           H  
HETATM   49  H   UNL     1       5.004   4.895  -0.019  1.00  0.00           H  
HETATM   50  H   UNL     1       3.234   4.058   1.474  1.00  0.00           H  
HETATM   51  H   UNL     1       4.573   2.885   1.410  1.00  0.00           H  
CONECT    1    2    6    5    5                                       
CONECT    2    7    7    1   30                                       
CONECT    3   27   26                                                 
CONECT    4   20   17   31                                            
CONECT    5    1    1    9   32                                       
CONECT    6    1   29   29   29                                       
CONECT    7   10    2    2    8                                       
CONECT    8    7   13    9    9                                       
CONECT    9    8    8    5   33                                       
CONECT   10   11   11    7                                            
CONECT   11   14   10   10   12                                       
CONECT   12   11   13   13   34                                       
CONECT   13   12   12    8   23                                       
CONECT   14   15   15   19   11                                       
CONECT   15   16   14   14   35                                       
CONECT   16   17   17   15   36                                       
CONECT   17    4   16   16   18                                       
CONECT   18   17   19   19   37                                       
CONECT   19   18   18   14   38                                       
CONECT   20   22   21   21    4                                       
CONECT   21   20   20                                                 
CONECT   22   20   39   40   41                                       
CONECT   23   13   24   42   43                                       
CONECT   24   23   28   25                                            
CONECT   25   24   26   44   45                                       
CONECT   26   25    3   46   47                                       
CONECT   27   28    3   48   49                                       
CONECT   28   24   27   50   51                                       
CONECT   29    6    6    6                                            
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
