COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.122   4.082  -0.091  1.00  0.00           N  
HETATM    2  C   UNL     1       0.875   3.123  -0.007  1.00  0.00           C  
HETATM    3  N   UNL     1       0.536   1.845   0.040  1.00  0.00           N  
HETATM    4  N   UNL     1       2.141   3.511   0.018  1.00  0.00           N  
HETATM    5  C   UNL     1       3.126   2.627   0.097  1.00  0.00           C  
HETATM    6  C   UNL     1       2.820   1.276   0.154  1.00  0.00           C  
HETATM    7  O   UNL     1       3.805   0.342   0.236  1.00  0.00           O  
HETATM    8  C   UNL     1       5.152   0.819   0.265  1.00  0.00           C  
HETATM    9  C   UNL     1       6.112  -0.368   0.358  1.00  0.00           C  
HETATM   10  O   UNL     1       6.015  -1.154  -0.832  1.00  0.00           O  
HETATM   11  C   UNL     1       6.875  -2.294  -0.848  1.00  0.00           C  
HETATM   12  C   UNL     1       1.469   0.897   0.120  1.00  0.00           C  
HETATM   13  C   UNL     1       1.088  -0.531   0.179  1.00  0.00           C  
HETATM   14  C   UNL     1       1.930  -1.592   0.273  1.00  0.00           C  
HETATM   15  N   UNL     1       1.211  -2.749   0.308  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.279  -1.078   0.153  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.138  -2.475   0.237  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.273  -3.282   0.235  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.515  -2.721   0.152  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.546  -0.508   0.073  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.666  -1.332   0.068  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.976  -0.759  -0.018  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.049  -0.289  -0.089  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.395   0.300  -0.178  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.281   1.824  -0.258  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.100  -0.225  -1.430  1.00  0.00           C  
HETATM   27  O   UNL     1      -7.151  -0.060   0.980  1.00  0.00           O  
HETATM   28  H   UNL     1      -1.054   3.813  -0.115  1.00  0.00           H  
HETATM   29  H   UNL     1       0.111   5.023  -0.123  1.00  0.00           H  
HETATM   30  H   UNL     1       4.154   2.955   0.116  1.00  0.00           H  
HETATM   31  H   UNL     1       5.357   1.382  -0.645  1.00  0.00           H  
HETATM   32  H   UNL     1       5.289   1.466   1.131  1.00  0.00           H  
HETATM   33  H   UNL     1       7.132  -0.003   0.469  1.00  0.00           H  
HETATM   34  H   UNL     1       5.849  -0.982   1.220  1.00  0.00           H  
HETATM   35  H   UNL     1       7.912  -1.968  -0.761  1.00  0.00           H  
HETATM   36  H   UNL     1       6.629  -2.947  -0.011  1.00  0.00           H  
HETATM   37  H   UNL     1       6.742  -2.837  -1.784  1.00  0.00           H  
HETATM   38  H   UNL     1       3.007  -1.529   0.313  1.00  0.00           H  
HETATM   39  H   UNL     1       1.594  -3.638   0.373  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.170  -4.355   0.299  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.389  -3.356   0.151  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.657   0.564   0.013  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.705   2.099  -1.142  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.277   2.260  -0.324  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.779   2.198   0.634  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.182  -1.310  -1.373  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.097   0.212  -1.496  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.524   0.050  -2.314  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.050   0.294   0.989  1.00  0.00           H  
CONECT    1    2   28   29                                            
CONECT    2    3    3    4    1                                       
CONECT    3   12    2    2                                            
CONECT    4    5    5    2                                            
CONECT    5    6    4    4   30                                       
CONECT    6    7   12   12    5                                       
CONECT    7    8    6                                                 
CONECT    8    9    7   31   32                                       
CONECT    9   10    8   33   34                                       
CONECT   10   11    9                                                 
CONECT   11   10   35   36   37                                       
CONECT   12   13    6    6    3                                       
CONECT   13   14   14   16   12                                       
CONECT   14   15   13   13   38                                       
CONECT   15   14   17   39                                            
CONECT   16   17   13   20   20                                       
CONECT   17   15   18   18   16                                       
CONECT   18   17   17   19   40                                       
CONECT   19   18   21   21   41                                       
CONECT   20   16   16   21   42                                       
CONECT   21   19   19   20   22                                       
CONECT   22   21   23   23   23                                       
CONECT   23   22   22   22   24                                       
CONECT   24   27   26   23   25                                       
CONECT   25   24   43   44   45                                       
CONECT   26   24   46   47   48                                       
CONECT   27   24   49                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
