COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.444  -0.485  -0.850  1.00  0.00           N  
HETATM    2  C   UNL     1       2.984  -1.572  -0.273  1.00  0.00           C  
HETATM    3  O   UNL     1       2.466  -2.657  -0.452  1.00  0.00           O  
HETATM    4  N   UNL     1       4.086  -1.490   0.497  1.00  0.00           N  
HETATM    5  C   UNL     1       4.693  -0.264   0.714  1.00  0.00           C  
HETATM    6  C   UNL     1       4.146   0.869   0.123  1.00  0.00           C  
HETATM    7  C   UNL     1       2.990   0.737  -0.677  1.00  0.00           C  
HETATM    8  O   UNL     1       2.492   1.715  -1.205  1.00  0.00           O  
HETATM    9  N   UNL     1       4.944   1.928   0.506  1.00  0.00           N  
HETATM   10  C   UNL     1       5.918   1.424   1.289  1.00  0.00           C  
HETATM   11  N   UNL     1       5.764   0.130   1.408  1.00  0.00           N  
HETATM   12  N   UNL     1      -2.446  -0.484  -0.853  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.250  -0.629  -1.686  1.00  0.00           C  
HETATM   14  C   UNL     1       4.766   3.333   0.131  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.758   3.337   0.140  1.00  0.00           C  
HETATM   16  C   UNL     1       4.643  -2.700   1.108  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.652  -2.700   1.095  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.490   1.716  -1.204  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.477  -2.659  -0.467  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.911   1.428   1.297  1.00  0.00           C  
HETATM   21  C   UNL     1       1.249  -0.629  -1.684  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.001  -0.478  -0.815  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.759   0.133   1.413  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.989   0.739  -0.677  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.990  -1.572  -0.282  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.691  -0.261   0.715  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.142   0.871   0.126  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.937   1.931   0.513  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.090  -1.489   0.491  1.00  0.00           N  
HETATM   30  H   UNL     1       6.706   2.001   1.749  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.249  -1.613  -2.154  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.249   0.140  -2.458  1.00  0.00           H  
HETATM   33  H   UNL     1       4.132   3.828   0.867  1.00  0.00           H  
HETATM   34  H   UNL     1       5.738   3.826   0.100  1.00  0.00           H  
HETATM   35  H   UNL     1       4.297   3.391  -0.851  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.120   3.829   0.875  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.291   3.395  -0.843  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.728   3.832   0.112  1.00  0.00           H  
HETATM   39  H   UNL     1       4.036  -3.561   0.828  1.00  0.00           H  
HETATM   40  H   UNL     1       5.665  -2.846   0.758  1.00  0.00           H  
HETATM   41  H   UNL     1       4.642  -2.592   2.193  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.050  -3.562   0.809  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.649  -2.599   2.181  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.675  -2.839   0.746  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.697   2.006   1.760  1.00  0.00           H  
HETATM   46  H   UNL     1       1.250   0.140  -2.456  1.00  0.00           H  
HETATM   47  H   UNL     1       1.249  -1.614  -2.152  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.001   0.507  -0.347  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.002  -1.247  -0.043  1.00  0.00           H  
CONECT    1    2    7   21                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   16                                            
CONECT    5    4    6    6   11                                       
CONECT    6    5    5    7    9                                       
CONECT    7    1    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   14                                            
CONECT   10    9   11   11   30                                       
CONECT   11    5   10   10                                            
CONECT   12   13   24   25                                            
CONECT   13   12   22   31   32                                       
CONECT   14    9   33   34   35                                       
CONECT   15   28   36   37   38                                       
CONECT   16    4   39   40   41                                       
CONECT   17   29   42   43   44                                       
CONECT   18   24   24                                                 
CONECT   19   25   25                                                 
CONECT   20   23   23   28   45                                       
CONECT   21    1   22   46   47                                       
CONECT   22   13   21   48   49                                       
CONECT   23   20   20   26                                            
CONECT   24   12   18   18   27                                       
CONECT   25   12   19   19   29                                       
CONECT   26   23   27   27   29                                       
CONECT   27   24   26   26   28                                       
CONECT   28   15   20   27                                            
CONECT   29   17   25   26                                            
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
