COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.807   3.622  -0.703  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.926   3.573  -0.233  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.649   4.702  -0.094  1.00  0.00           N  
HETATM    4  N   UNL     1      -4.448   2.388   0.145  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.727   1.259   0.001  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.607   1.308  -0.469  1.00  0.00           O  
HETATM    7  N   UNL     1      -4.248   0.074   0.378  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.544  -1.110   0.133  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.160  -1.124   0.217  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.463  -2.307  -0.028  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.163  -3.469  -0.356  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.415  -4.750  -0.622  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.541  -3.445  -0.438  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.232  -2.274  -0.190  1.00  0.00           C  
HETATM   15  C   UNL     1       0.013  -2.330   0.059  1.00  0.00           C  
HETATM   16  O   UNL     1       0.622  -3.344  -0.220  1.00  0.00           O  
HETATM   17  N   UNL     1       0.682  -1.227   0.448  1.00  0.00           N  
HETATM   18  C   UNL     1       2.144  -1.249   0.534  1.00  0.00           C  
HETATM   19  C   UNL     1       2.567  -1.898   1.854  1.00  0.00           C  
HETATM   20  C   UNL     1       2.673   0.161   0.476  1.00  0.00           C  
HETATM   21  C   UNL     1       3.962   0.412  -0.023  1.00  0.00           C  
HETATM   22  C   UNL     1       4.440   1.745  -0.076  1.00  0.00           C  
HETATM   23  C   UNL     1       3.615   2.790   0.373  1.00  0.00           C  
HETATM   24  C   UNL     1       2.371   2.510   0.850  1.00  0.00           C  
HETATM   25  C   UNL     1       1.902   1.199   0.902  1.00  0.00           C  
HETATM   26  C   UNL     1       5.729   1.996  -0.575  1.00  0.00           C  
HETATM   27  C   UNL     1       6.500   0.958  -1.000  1.00  0.00           C  
HETATM   28  C   UNL     1       6.030  -0.353  -0.949  1.00  0.00           C  
HETATM   29  C   UNL     1       4.787  -0.634  -0.471  1.00  0.00           C  
HETATM   30  H   UNL     1      -4.276   5.554  -0.369  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.543   4.663   0.281  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.341   2.349   0.520  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.111   0.043   0.820  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.624  -0.221   0.471  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.183  -5.238   0.325  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.032  -5.412  -1.229  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.490  -4.527  -1.152  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.081  -4.345  -0.692  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.310  -2.262  -0.251  1.00  0.00           H  
HETATM   40  H   UNL     1       0.196  -0.417   0.670  1.00  0.00           H  
HETATM   41  H   UNL     1       2.549  -1.824  -0.299  1.00  0.00           H  
HETATM   42  H   UNL     1       3.655  -1.915   1.918  1.00  0.00           H  
HETATM   43  H   UNL     1       2.163  -1.324   2.687  1.00  0.00           H  
HETATM   44  H   UNL     1       2.185  -2.918   1.896  1.00  0.00           H  
HETATM   45  H   UNL     1       3.966   3.811   0.339  1.00  0.00           H  
HETATM   46  H   UNL     1       1.739   3.315   1.194  1.00  0.00           H  
HETATM   47  H   UNL     1       0.909   1.004   1.281  1.00  0.00           H  
HETATM   48  H   UNL     1       6.107   3.007  -0.621  1.00  0.00           H  
HETATM   49  H   UNL     1       7.491   1.153  -1.383  1.00  0.00           H  
HETATM   50  H   UNL     1       6.662  -1.159  -1.293  1.00  0.00           H  
HETATM   51  H   UNL     1       4.436  -1.655  -0.438  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    2   30   31                                            
CONECT    4    2    5   32                                            
CONECT    5    6    6    4    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   33                                            
CONECT    8    7    9    9   14                                       
CONECT    9    8    8   10   34                                       
CONECT   10    9   15   11   11                                       
CONECT   11   10   10   13   12                                       
CONECT   12   11   35   36   37                                       
CONECT   13   14   14   11   38                                       
CONECT   14    8   13   13   39                                       
CONECT   15   16   16   10   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   40                                            
CONECT   18   20   17   19   41                                       
CONECT   19   18   42   43   44                                       
CONECT   20   21   21   25   18                                       
CONECT   21   22   29   20   20                                       
CONECT   22   26   23   23   21                                       
CONECT   23   22   22   24   45                                       
CONECT   24   23   25   25   46                                       
CONECT   25   24   24   20   47                                       
CONECT   26   27   27   22   48                                       
CONECT   27   26   26   28   49                                       
CONECT   28   27   29   29   50                                       
CONECT   29   28   28   21   51                                       
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
