COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.654   1.416   2.411  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.957   0.792   1.632  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.105   1.512   0.676  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.071   2.905   0.633  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.257   3.539  -0.280  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.471   2.805  -1.158  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.491   1.426  -1.132  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.306   0.767  -0.216  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.365  -0.702  -0.146  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.969  -0.553   1.657  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.205  -1.315   0.795  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.261  -2.641   0.861  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.549  -3.413   0.065  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.700  -2.884  -0.886  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.595  -1.499  -1.007  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.754  -0.925  -1.951  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.445  -0.576  -1.602  1.00  0.00           C  
HETATM   18  C   UNL     1       0.050  -0.904  -0.345  1.00  0.00           C  
HETATM   19  C   UNL     1       1.341  -0.559  -0.001  1.00  0.00           C  
HETATM   20  C   UNL     1       0.363   0.094  -2.513  1.00  0.00           C  
HETATM   21  C   UNL     1       1.654   0.438  -2.167  1.00  0.00           C  
HETATM   22  C   UNL     1       2.146   0.115  -0.910  1.00  0.00           C  
HETATM   23  N   UNL     1       3.456   0.465  -0.559  1.00  0.00           N  
HETATM   24  C   UNL     1       4.185  -0.352   0.227  1.00  0.00           C  
HETATM   25  O   UNL     1       3.678  -1.350   0.700  1.00  0.00           O  
HETATM   26  C   UNL     1       5.599  -0.033   0.514  1.00  0.00           C  
HETATM   27  C   UNL     1       6.357  -0.877   1.328  1.00  0.00           C  
HETATM   28  C   UNL     1       7.676  -0.574   1.592  1.00  0.00           C  
HETATM   29  C   UNL     1       8.250   0.563   1.051  1.00  0.00           C  
HETATM   30  C   UNL     1       7.505   1.404   0.244  1.00  0.00           C  
HETATM   31  C   UNL     1       6.185   1.110  -0.033  1.00  0.00           C  
HETATM   32  H   UNL     1      -4.679   3.484   1.312  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.230   4.618  -0.314  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.839   3.318  -1.867  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.878   0.861  -1.818  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.538  -1.004   2.300  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.631  -4.486   0.159  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.124  -3.534  -1.528  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.073  -0.767  -2.853  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.576  -1.428   0.361  1.00  0.00           H  
HETATM   41  H   UNL     1       1.726  -0.814   0.976  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.020   0.345  -3.491  1.00  0.00           H  
HETATM   43  H   UNL     1       2.282   0.959  -2.876  1.00  0.00           H  
HETATM   44  H   UNL     1       3.839   1.296  -0.883  1.00  0.00           H  
HETATM   45  H   UNL     1       5.910  -1.765   1.751  1.00  0.00           H  
HETATM   46  H   UNL     1       8.263  -1.226   2.222  1.00  0.00           H  
HETATM   47  H   UNL     1       9.283   0.796   1.261  1.00  0.00           H  
HETATM   48  H   UNL     1       7.958   2.290  -0.175  1.00  0.00           H  
HETATM   49  H   UNL     1       5.606   1.764  -0.667  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1   10                                       
CONECT    3    4    2    8    8                                       
CONECT    4    5    5    3   32                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    3    3    7    9                                       
CONECT    9    8   11   11   15                                       
CONECT   10    2   11   36                                            
CONECT   11   10    9    9   12                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   37                                       
CONECT   14   15   15   13   38                                       
CONECT   15    9   16   14   14                                       
CONECT   16   15   17   39                                            
CONECT   17   16   20   20   18                                       
CONECT   18   17   19   19   40                                       
CONECT   19   18   18   22   41                                       
CONECT   20   17   17   21   42                                       
CONECT   21   20   22   22   43                                       
CONECT   22   21   21   19   23                                       
CONECT   23   22   24   44                                            
CONECT   24   25   25   23   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   27   31                                       
CONECT   27   26   26   28   45                                       
CONECT   28   27   29   29   46                                       
CONECT   29   28   28   30   47                                       
CONECT   30   31   31   29   48                                       
CONECT   31   26   30   30   49                                       
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
