COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.277   1.844  -0.106  1.00  0.00           C  
HETATM    2  C   UNL     1       3.580   3.285  -0.523  1.00  0.00           C  
HETATM    3  C   UNL     1       4.710   3.841   0.346  1.00  0.00           C  
HETATM    4  C   UNL     1       2.148   1.288  -0.975  1.00  0.00           C  
HETATM    5  N   UNL     1       1.858  -0.091  -0.575  1.00  0.00           N  
HETATM    6  C   UNL     1       0.813  -0.342   0.287  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.012   0.775   0.806  1.00  0.00           C  
HETATM    8  O   UNL     1       0.460   1.558   1.606  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.407   0.936   0.350  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.905   0.132  -0.677  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.222   0.291  -1.101  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.741  -0.530  -2.153  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.154  -1.181  -2.988  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.036   1.254  -0.496  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.537   2.046   0.519  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.422   3.081   1.166  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.235   1.890   0.949  1.00  0.00           C  
HETATM   18  C   UNL     1       0.545  -1.622   0.657  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.591  -1.932   1.598  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.533  -2.945   0.944  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.032  -2.520   2.896  1.00  0.00           C  
HETATM   22  C   UNL     1       1.388  -2.695   0.118  1.00  0.00           C  
HETATM   23  O   UNL     1       1.184  -3.856   0.422  1.00  0.00           O  
HETATM   24  N   UNL     1       2.394  -2.373  -0.721  1.00  0.00           N  
HETATM   25  C   UNL     1       2.614  -1.091  -1.061  1.00  0.00           C  
HETATM   26  O   UNL     1       3.526  -0.827  -1.819  1.00  0.00           O  
HETATM   27  H   UNL     1       4.171   1.233  -0.237  1.00  0.00           H  
HETATM   28  H   UNL     1       2.974   1.825   0.941  1.00  0.00           H  
HETATM   29  H   UNL     1       3.883   3.304  -1.569  1.00  0.00           H  
HETATM   30  H   UNL     1       2.686   3.896  -0.392  1.00  0.00           H  
HETATM   31  H   UNL     1       4.406   3.822   1.393  1.00  0.00           H  
HETATM   32  H   UNL     1       5.603   3.230   0.215  1.00  0.00           H  
HETATM   33  H   UNL     1       4.925   4.868   0.049  1.00  0.00           H  
HETATM   34  H   UNL     1       1.254   1.899  -0.844  1.00  0.00           H  
HETATM   35  H   UNL     1       2.451   1.308  -2.021  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.271  -0.610  -1.141  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.057   1.378  -0.824  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.942   2.636   2.014  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.812   3.916   1.510  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.151   3.440   0.440  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.853   2.510   1.747  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.139  -1.017   1.820  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.020  -3.900   0.833  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.416  -3.077   1.570  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.836  -2.579  -0.037  1.00  0.00           H  
HETATM   46  H   UNL     1       0.592  -1.777   3.391  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.857  -2.798   3.553  1.00  0.00           H  
HETATM   48  H   UNL     1       0.564  -3.403   2.667  1.00  0.00           H  
HETATM   49  H   UNL     1       2.960  -3.071  -1.086  1.00  0.00           H  
CONECT    1    4    2   27   28                                       
CONECT    2    1    3   29   30                                       
CONECT    3    2   31   32   33                                       
CONECT    4    1    5   34   35                                       
CONECT    5    4   25    6                                            
CONECT    6    5   18   18    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   17   17   10                                       
CONECT   10    9   11   11   36                                       
CONECT   11   10   10   14   12                                       
CONECT   12   11   13   13   13                                       
CONECT   13   12   12   12                                            
CONECT   14   11   15   15   37                                       
CONECT   15   14   14   17   16                                       
CONECT   16   15   38   39   40                                       
CONECT   17    9    9   15   41                                       
CONECT   18    6    6   22   19                                       
CONECT   19   18   21   20   42                                       
CONECT   20   19   43   44   45                                       
CONECT   21   19   46   47   48                                       
CONECT   22   18   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   49                                            
CONECT   25    5   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36   10                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
