COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.673   2.573   0.097  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.057   1.245   0.020  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.002   0.768   0.824  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.372  -0.501   0.752  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.360  -0.966   1.603  1.00  0.00           N  
HETATM    6  N   UNL     1      -3.822  -1.338  -0.116  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.874  -0.930  -0.947  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.462   0.388  -0.909  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.391   0.888  -1.844  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.053   0.825  -1.154  1.00  0.00           C  
HETATM   11  C   UNL     1       0.450   1.939  -0.512  1.00  0.00           C  
HETATM   12  C   UNL     1       1.682   1.885   0.125  1.00  0.00           C  
HETATM   13  O   UNL     1       2.168   2.988   0.754  1.00  0.00           O  
HETATM   14  C   UNL     1       1.358   4.164   0.719  1.00  0.00           C  
HETATM   15  C   UNL     1       0.679  -0.358  -1.156  1.00  0.00           C  
HETATM   16  C   UNL     1       1.924  -0.417  -0.513  1.00  0.00           C  
HETATM   17  O   UNL     1       2.616  -1.586  -0.532  1.00  0.00           O  
HETATM   18  C   UNL     1       2.423   0.706   0.123  1.00  0.00           C  
HETATM   19  O   UNL     1       3.631   0.658   0.748  1.00  0.00           O  
HETATM   20  C   UNL     1       4.780   0.991  -0.033  1.00  0.00           C  
HETATM   21  C   UNL     1       0.175  -1.576  -1.826  1.00  0.00           C  
HETATM   22  C   UNL     1       0.743  -2.741  -1.519  1.00  0.00           C  
HETATM   23  C   UNL     1       1.854  -2.794  -0.505  1.00  0.00           C  
HETATM   24  C   UNL     1       1.256  -2.982   0.890  1.00  0.00           C  
HETATM   25  C   UNL     1       2.226  -3.059   2.071  1.00  0.00           C  
HETATM   26  C   UNL     1       1.363  -1.811   1.869  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.985   2.914  -0.496  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.093   3.163   0.742  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.771  -0.364   2.243  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.640  -1.893   1.560  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.431  -1.620  -1.651  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.369   0.265  -2.737  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.607   1.919  -2.124  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.118   2.858  -0.505  1.00  0.00           H  
HETATM   35  H   UNL     1       1.861   4.968   1.256  1.00  0.00           H  
HETATM   36  H   UNL     1       1.197   4.464  -0.317  1.00  0.00           H  
HETATM   37  H   UNL     1       0.397   3.957   1.190  1.00  0.00           H  
HETATM   38  H   UNL     1       4.684   2.011  -0.404  1.00  0.00           H  
HETATM   39  H   UNL     1       5.675   0.912   0.585  1.00  0.00           H  
HETATM   40  H   UNL     1       4.859   0.303  -0.875  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.630  -1.522  -2.544  1.00  0.00           H  
HETATM   42  H   UNL     1       0.405  -3.648  -1.998  1.00  0.00           H  
HETATM   43  H   UNL     1       2.508  -3.636  -0.732  1.00  0.00           H  
HETATM   44  H   UNL     1       0.356  -3.596   0.937  1.00  0.00           H  
HETATM   45  H   UNL     1       1.965  -3.724   2.894  1.00  0.00           H  
HETATM   46  H   UNL     1       3.291  -2.977   1.853  1.00  0.00           H  
HETATM   47  H   UNL     1       1.860  -0.907   1.519  1.00  0.00           H  
HETATM   48  H   UNL     1       0.535  -1.655   2.560  1.00  0.00           H  
CONECT    1    2   27   28                                            
CONECT    2    1    3    8    8                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5    6                                       
CONECT    5    4   29   30                                            
CONECT    6    4    7    7                                            
CONECT    7    8    6    6   31                                       
CONECT    8    2    2    9    7                                       
CONECT    9    8   10   32   33                                       
CONECT   10    9   15   11   11                                       
CONECT   11   10   10   12   34                                       
CONECT   12   11   18   18   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   35   36   37                                       
CONECT   15   21   10   16   16                                       
CONECT   16   15   15   17   18                                       
CONECT   17   23   16                                                 
CONECT   18   16   12   12   19                                       
CONECT   19   18   20                                                 
CONECT   20   19   38   39   40                                       
CONECT   21   22   22   15   41                                       
CONECT   22   21   21   23   42                                       
CONECT   23   22   24   17   43                                       
CONECT   24   26   25   23   44                                       
CONECT   25   26   24   45   46                                       
CONECT   26   25   24   47   48                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
