COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.791  -1.320  -0.238  1.00  0.00           C  
HETATM    2  C   UNL     1       6.983   2.784  -0.378  1.00  0.00           C  
HETATM    3  C   UNL     1       6.577   1.579   0.430  1.00  0.00           C  
HETATM    4  O   UNL     1       7.120   1.349   1.490  1.00  0.00           O  
HETATM    5  N   UNL     1       5.611   0.756  -0.025  1.00  0.00           N  
HETATM    6  C   UNL     1       5.020   0.959  -1.355  1.00  0.00           C  
HETATM    7  C   UNL     1       3.497   1.042  -1.210  1.00  0.00           C  
HETATM    8  C   UNL     1       2.990  -0.204  -0.480  1.00  0.00           C  
HETATM    9  C   UNL     1       3.605  -0.263   0.920  1.00  0.00           C  
HETATM   10  C   UNL     1       5.133  -0.364   0.798  1.00  0.00           C  
HETATM   11  N   UNL     1       1.530  -0.143  -0.369  1.00  0.00           N  
HETATM   12  C   UNL     1       1.428  -2.542  -0.206  1.00  0.00           C  
HETATM   13  C   UNL     1       0.702  -3.722  -0.070  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.657  -3.703   0.035  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.341  -2.479   0.006  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.743  -2.406   0.112  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.315  -1.221   0.078  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.599  -0.105  -0.053  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.261   1.110  -0.081  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.665   1.149   0.027  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.514   0.042   0.168  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.747   0.474   0.237  1.00  0.00           N  
HETATM   23  N   UNL     1      -6.730   1.872   0.143  1.00  0.00           N  
HETATM   24  C   UNL     1      -7.901   2.752   0.177  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.436   2.266   0.019  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.284  -0.112  -0.156  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.613  -1.270  -0.131  1.00  0.00           C  
HETATM   28  H   UNL     1       6.460   2.773  -1.334  1.00  0.00           H  
HETATM   29  H   UNL     1       6.724   3.691   0.167  1.00  0.00           H  
HETATM   30  H   UNL     1       8.059   2.759  -0.552  1.00  0.00           H  
HETATM   31  H   UNL     1       5.398   1.887  -1.784  1.00  0.00           H  
HETATM   32  H   UNL     1       5.281   0.121  -2.002  1.00  0.00           H  
HETATM   33  H   UNL     1       3.234   1.932  -0.638  1.00  0.00           H  
HETATM   34  H   UNL     1       3.041   1.097  -2.198  1.00  0.00           H  
HETATM   35  H   UNL     1       3.275  -1.094  -1.040  1.00  0.00           H  
HETATM   36  H   UNL     1       3.341   0.639   1.472  1.00  0.00           H  
HETATM   37  H   UNL     1       3.224  -1.137   1.448  1.00  0.00           H  
HETATM   38  H   UNL     1       5.400  -1.310   0.326  1.00  0.00           H  
HETATM   39  H   UNL     1       5.584  -0.307   1.788  1.00  0.00           H  
HETATM   40  H   UNL     1       1.077   0.714  -0.387  1.00  0.00           H  
HETATM   41  H   UNL     1       2.504  -2.585  -0.288  1.00  0.00           H  
HETATM   42  H   UNL     1       1.223  -4.668  -0.048  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.205  -4.628   0.139  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.336  -3.303   0.218  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.759   1.934  -0.176  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.203  -0.991   0.211  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.110   3.038   1.208  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.701   3.646  -0.414  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.762   2.228  -0.237  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.085   3.283  -0.075  1.00  0.00           H  
CONECT    1   12   12   11   27                                       
CONECT    2    3   28   29   30                                       
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5   10    3    6                                            
CONECT    6    5    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    9   11    7   35                                       
CONECT    9   10    8   36   37                                       
CONECT   10    9    5   38   39                                       
CONECT   11    8    1   40                                            
CONECT   12   13    1    1   41                                       
CONECT   13   12   14   14   42                                       
CONECT   14   13   13   15   43                                       
CONECT   15   14   27   27   16                                       
CONECT   16   15   17   17   44                                       
CONECT   17   16   16   18                                            
CONECT   18   26   26   17   19                                       
CONECT   19   18   20   45                                            
CONECT   20   25   25   19   21                                       
CONECT   21   20   22   22   46                                       
CONECT   22   23   21   21                                            
CONECT   23   24   25   22                                            
CONECT   24   23   47   48   49                                       
CONECT   25   23   20   20   50                                       
CONECT   26   27   18   18                                            
CONECT   27    1   15   15   26                                       
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
