COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.760   0.495  -0.100  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.584   3.366  -0.097  1.00  0.00           N  
HETATM    3  C   UNL     1       0.533   2.667  -0.117  1.00  0.00           C  
HETATM    4  C   UNL     1       0.496   1.270  -0.076  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.670   0.637  -0.015  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.756   2.745  -0.035  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.795   1.338   0.006  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.222   0.977   0.069  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.918   2.151   0.061  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.057   3.195   0.000  1.00  0.00           N  
HETATM   11  C   UNL     1       2.986   1.157  -0.059  1.00  0.00           C  
HETATM   12  C   UNL     1       4.165   0.432  -0.082  1.00  0.00           C  
HETATM   13  C   UNL     1       4.126  -0.957  -0.145  1.00  0.00           C  
HETATM   14  C   UNL     1       2.904  -1.620  -0.187  1.00  0.00           C  
HETATM   15  C   UNL     1       1.723  -0.897  -0.159  1.00  0.00           C  
HETATM   16  O   UNL     1       5.361   1.078  -0.042  1.00  0.00           O  
HETATM   17  C   UNL     1       5.326   2.505   0.022  1.00  0.00           C  
HETATM   18  O   UNL     1       5.286  -1.668  -0.167  1.00  0.00           O  
HETATM   19  C   UNL     1       5.827  -2.065   1.094  1.00  0.00           C  
HETATM   20  O   UNL     1       2.868  -2.978  -0.243  1.00  0.00           O  
HETATM   21  C   UNL     1       1.579  -3.593  -0.271  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.786  -0.379   0.128  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.121  -0.552   0.182  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.046  -1.345   0.127  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.683  -1.904   0.240  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.062  -1.855   0.900  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.815  -2.463  -1.178  1.00  0.00           C  
HETATM   28  H   UNL     1       1.484   3.177  -0.168  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.994   2.236   0.098  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.319   4.128  -0.016  1.00  0.00           H  
HETATM   31  H   UNL     1       3.016   2.236  -0.011  1.00  0.00           H  
HETATM   32  H   UNL     1       0.774  -1.412  -0.190  1.00  0.00           H  
HETATM   33  H   UNL     1       6.344   2.893   0.048  1.00  0.00           H  
HETATM   34  H   UNL     1       4.811   2.895  -0.856  1.00  0.00           H  
HETATM   35  H   UNL     1       4.795   2.815   0.922  1.00  0.00           H  
HETATM   36  H   UNL     1       6.038  -1.180   1.694  1.00  0.00           H  
HETATM   37  H   UNL     1       5.107  -2.695   1.617  1.00  0.00           H  
HETATM   38  H   UNL     1       6.749  -2.624   0.934  1.00  0.00           H  
HETATM   39  H   UNL     1       1.031  -3.249  -1.148  1.00  0.00           H  
HETATM   40  H   UNL     1       1.694  -4.676  -0.316  1.00  0.00           H  
HETATM   41  H   UNL     1       1.028  -3.323   0.630  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.710   0.219   0.182  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.023  -2.546   0.824  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.721  -1.212   0.316  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.480  -2.861   0.943  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.968  -1.457   1.910  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.233  -3.468  -1.135  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.474  -1.820  -1.762  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.832  -2.497  -1.648  1.00  0.00           H  
CONECT    1   15    4   11   11                                       
CONECT    2    6    6    3                                            
CONECT    3    4    4    2   28                                       
CONECT    4    5    1    3    3                                       
CONECT    5    7    7    4                                            
CONECT    6    7   10    2    2                                       
CONECT    7    8    5    5    6                                       
CONECT    8   22    7    9    9                                       
CONECT    9    8    8   10   29                                       
CONECT   10    9    6   30                                            
CONECT   11    1    1   12   31                                       
CONECT   12   13   13   11   16                                       
CONECT   13   14   18   12   12                                       
CONECT   14   20   15   15   13                                       
CONECT   15   14   14    1   32                                       
CONECT   16   12   17                                                 
CONECT   17   16   33   34   35                                       
CONECT   18   19   13                                                 
CONECT   19   18   36   37   38                                       
CONECT   20   21   14                                                 
CONECT   21   20   39   40   41                                       
CONECT   22   24   24   23    8                                       
CONECT   23   25   22   42                                            
CONECT   24   22   22                                                 
CONECT   25   26   23   27   43                                       
CONECT   26   25   44   45   46                                       
CONECT   27   25   47   48   49                                       
CONECT   28    3                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   15                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
