COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.105   1.911   0.302  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.284   2.501   0.715  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.501   1.983   0.296  1.00  0.00           C  
HETATM    4  O   UNL     1      -8.662   2.562   0.701  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.531   0.874  -0.536  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.349   0.288  -0.947  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.137   0.805  -0.528  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.850   0.168  -0.983  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.436  -0.914   0.017  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.430  -1.995   0.008  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.088  -1.466  -0.370  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.013  -2.519  -0.967  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.966  -0.791  -0.052  1.00  0.00           N  
HETATM   14  C   UNL     1       0.344  -1.328  -0.429  1.00  0.00           C  
HETATM   15  C   UNL     1       1.393  -0.196  -0.502  1.00  0.00           C  
HETATM   16  O   UNL     1       0.794   1.063  -0.186  1.00  0.00           O  
HETATM   17  C   UNL     1       0.879  -2.269   0.673  1.00  0.00           C  
HETATM   18  C   UNL     1       0.604  -3.729   0.306  1.00  0.00           C  
HETATM   19  O   UNL     1       1.002  -4.575   1.388  1.00  0.00           O  
HETATM   20  O   UNL     1       2.301  -2.018   0.714  1.00  0.00           O  
HETATM   21  C   UNL     1       2.440  -0.584   0.565  1.00  0.00           C  
HETATM   22  N   UNL     1       3.789  -0.247   0.106  1.00  0.00           N  
HETATM   23  C   UNL     1       4.637  -1.067  -0.577  1.00  0.00           C  
HETATM   24  N   UNL     1       5.753  -0.445  -0.826  1.00  0.00           N  
HETATM   25  C   UNL     1       5.691   0.811  -0.321  1.00  0.00           C  
HETATM   26  C   UNL     1       4.429   0.955   0.278  1.00  0.00           C  
HETATM   27  N   UNL     1       4.113   2.113   0.849  1.00  0.00           N  
HETATM   28  C   UNL     1       4.967   3.114   0.853  1.00  0.00           C  
HETATM   29  N   UNL     1       6.164   3.027   0.301  1.00  0.00           N  
HETATM   30  C   UNL     1       6.571   1.906  -0.287  1.00  0.00           C  
HETATM   31  N   UNL     1       7.826   1.826  -0.865  1.00  0.00           N  
HETATM   32  H   UNL     1      -4.157   2.316   0.623  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.258   3.364   1.363  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.016   2.200   1.525  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.477   0.469  -0.863  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.372  -0.576  -1.595  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.994  -0.282  -1.965  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.069   0.926  -1.041  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.378  -0.482   1.016  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.328  -1.664   0.326  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.502  -2.412  -0.908  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.026   0.051   0.425  1.00  0.00           H  
HETATM   43  H   UNL     1       0.281  -1.853  -1.382  1.00  0.00           H  
HETATM   44  H   UNL     1       1.850  -0.162  -1.491  1.00  0.00           H  
HETATM   45  H   UNL     1       1.408   1.809  -0.217  1.00  0.00           H  
HETATM   46  H   UNL     1       0.424  -2.028   1.633  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.460  -3.861   0.114  1.00  0.00           H  
HETATM   48  H   UNL     1       1.171  -3.992  -0.587  1.00  0.00           H  
HETATM   49  H   UNL     1       0.856  -5.516   1.224  1.00  0.00           H  
HETATM   50  H   UNL     1       2.223  -0.082   1.508  1.00  0.00           H  
HETATM   51  H   UNL     1       4.416  -2.083  -0.868  1.00  0.00           H  
HETATM   52  H   UNL     1       4.679   4.041   1.326  1.00  0.00           H  
HETATM   53  H   UNL     1       8.107   1.005  -1.300  1.00  0.00           H  
HETATM   54  H   UNL     1       8.424   2.589  -0.835  1.00  0.00           H  
CONECT    1    2    2    7   32                                       
CONECT    2    3    1    1   33                                       
CONECT    3    4    5    5    2                                       
CONECT    4    3   34                                                 
CONECT    5    3    3    6   35                                       
CONECT    6    5    7    7   36                                       
CONECT    7    6    6    1    8                                       
CONECT    8    7    9   37   38                                       
CONECT    9   10   11    8   39                                       
CONECT   10    9   40   41                                            
CONECT   11   13    9   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   42                                            
CONECT   14   17   15   13   43                                       
CONECT   15   16   21   14   44                                       
CONECT   16   15   45                                                 
CONECT   17   20   18   14   46                                       
CONECT   18   17   19   47   48                                       
CONECT   19   18   49                                                 
CONECT   20   17   21                                                 
CONECT   21   20   15   22   50                                       
CONECT   22   21   23   26                                            
CONECT   23   22   24   24   51                                       
CONECT   24   23   23   25                                            
CONECT   25   24   26   26   30                                       
CONECT   26   22   25   25   27                                       
CONECT   27   26   28   28                                            
CONECT   28   27   27   29   52                                       
CONECT   29   30   30   28                                            
CONECT   30   25   31   29   29                                       
CONECT   31   30   53   54                                            
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   28                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
