COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.635   2.769   0.575  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.801   1.562  -0.099  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.272  -3.986   0.221  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.312  -3.068   0.071  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.091  -0.708  -0.029  1.00  0.00           C  
HETATM    6  C   UNL     1       0.672  -1.800   0.680  1.00  0.00           C  
HETATM    7  C   UNL     1       3.859  -2.009  -0.299  1.00  0.00           C  
HETATM    8  C   UNL     1       4.525   0.057  -0.189  1.00  0.00           C  
HETATM    9  C   UNL     1       5.387   1.250  -0.052  1.00  0.00           C  
HETATM   10  C   UNL     1       7.002   3.485   0.206  1.00  0.00           C  
HETATM   11  C   UNL     1       7.560   2.221   0.276  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.006   1.336  -0.759  1.00  0.00           C  
HETATM   13  N   UNL     1      -6.943   2.269  -0.723  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.747   3.399  -0.073  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.623   3.648   0.568  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.784   0.602  -0.113  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.001  -3.549   0.415  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.713  -2.227   0.468  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.679  -1.299   0.330  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.023  -1.706   0.124  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.400  -0.114   0.381  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.254  -1.064  -0.079  1.00  0.00           O  
HETATM   23  C   UNL     1       1.370  -1.640  -0.672  1.00  0.00           C  
HETATM   24  C   UNL     1       2.794  -1.200  -0.454  1.00  0.00           C  
HETATM   25  O   UNL     1       4.939  -1.221  -0.131  1.00  0.00           O  
HETATM   26  N   UNL     1       3.227   0.067  -0.380  1.00  0.00           N  
HETATM   27  C   UNL     1       6.761   1.103   0.148  1.00  0.00           C  
HETATM   28  C   UNL     1       5.642   3.638   0.002  1.00  0.00           C  
HETATM   29  C   UNL     1       4.832   2.528  -0.127  1.00  0.00           C  
HETATM   30  C   UNL     1       3.844  -3.516  -0.307  1.00  0.00           C  
HETATM   31  H   UNL     1      -3.715   2.982   1.099  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.479  -5.045   0.186  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.325  -3.408  -0.084  1.00  0.00           H  
HETATM   34  H   UNL     1       0.681  -0.846   1.208  1.00  0.00           H  
HETATM   35  H   UNL     1       1.197  -2.549   1.274  1.00  0.00           H  
HETATM   36  H   UNL     1       7.631   4.357   0.307  1.00  0.00           H  
HETATM   37  H   UNL     1       8.622   2.108   0.435  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.173   0.412  -1.294  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.532   4.140  -0.063  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.856   0.878  -0.183  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.205  -4.271   0.530  1.00  0.00           H  
HETATM   42  H   UNL     1       1.360  -2.594  -1.200  1.00  0.00           H  
HETATM   43  H   UNL     1       0.845  -0.891  -1.265  1.00  0.00           H  
HETATM   44  H   UNL     1       7.197   0.117   0.203  1.00  0.00           H  
HETATM   45  H   UNL     1       5.213   4.627  -0.051  1.00  0.00           H  
HETATM   46  H   UNL     1       3.771   2.649  -0.286  1.00  0.00           H  
HETATM   47  H   UNL     1       4.856  -3.890  -0.153  1.00  0.00           H  
HETATM   48  H   UNL     1       3.198  -3.877   0.493  1.00  0.00           H  
HETATM   49  H   UNL     1       3.467  -3.871  -1.266  1.00  0.00           H  
CONECT    1   15    2    2   31                                       
CONECT    2   12    1    1   16                                       
CONECT    3   17   17    4   32                                       
CONECT    4    3   20   20   33                                       
CONECT    5   16   20   22   22                                       
CONECT    6   18   23   34   35                                       
CONECT    7   24   24   25   30                                       
CONECT    8   25   26   26    9                                       
CONECT    9    8   27   27   29                                       
CONECT   10   28   11   11   36                                       
CONECT   11   27   10   10   37                                       
CONECT   12   13   13    2   38                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   15   39                                       
CONECT   15   14   14    1                                            
CONECT   16    2    5   40                                            
CONECT   17    3    3   18   41                                       
CONECT   18   17   19    6                                            
CONECT   19   18   20   21   21                                       
CONECT   20   19    4    4    5                                       
CONECT   21   19   19                                                 
CONECT   22    5    5                                                 
CONECT   23    6   24   42   43                                       
CONECT   24   23    7    7   26                                       
CONECT   25    7    8                                                 
CONECT   26   24    8    8                                            
CONECT   27    9    9   11   44                                       
CONECT   28   10   29   29   45                                       
CONECT   29    9   28   28   46                                       
CONECT   30    7   47   48   49                                       
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   30                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
