COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.226  -2.147  -0.400  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.952  -1.665  -0.054  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.570  -0.399  -0.530  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.420   0.291  -1.284  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.604  -0.201  -1.582  1.00  0.00           C  
HETATM    6  N   UNL     1      -7.005  -1.387  -1.163  1.00  0.00           N  
HETATM    7  N   UNL     1      -3.304  -0.182  -0.051  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.950  -1.276   0.680  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.918  -2.145   0.677  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.482   1.009  -0.283  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.090   0.724  -0.023  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.444   1.983   0.229  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.516   2.947   0.773  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.822   2.116   0.747  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.923   2.910   0.297  1.00  0.00           O  
HETATM   16  O   UNL     1      -1.633   4.094  -0.072  1.00  0.00           O  
HETATM   17  C   UNL     1       0.665   1.800   1.266  1.00  0.00           C  
HETATM   18  N   UNL     1       1.731   0.963   0.700  1.00  0.00           N  
HETATM   19  C   UNL     1       2.817   0.765   1.670  1.00  0.00           C  
HETATM   20  C   UNL     1       3.889  -0.097   1.055  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.657  -3.387   0.039  1.00  0.00           N  
HETATM   22  C   UNL     1       3.784  -1.502   1.088  1.00  0.00           C  
HETATM   23  N   UNL     1       4.739  -2.244   0.541  1.00  0.00           N  
HETATM   24  C   UNL     1       5.794  -1.675  -0.038  1.00  0.00           C  
HETATM   25  N   UNL     1       5.923  -0.336  -0.085  1.00  0.00           N  
HETATM   26  C   UNL     1       4.966   0.467   0.458  1.00  0.00           C  
HETATM   27  N   UNL     1       2.699  -2.101   1.684  1.00  0.00           N  
HETATM   28  C   UNL     1       7.096   0.261  -0.729  1.00  0.00           C  
HETATM   29  O   UNL     1       6.964   0.158  -2.148  1.00  0.00           O  
HETATM   30  C   UNL     1       6.116   1.152  -2.727  1.00  0.00           C  
HETATM   31  O   UNL     1       6.658  -2.378  -0.534  1.00  0.00           O  
HETATM   32  H   UNL     1      -7.269   0.384  -2.201  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.005  -1.403   1.188  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.618   1.375  -1.300  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.025   2.377  -0.697  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.276   3.249   1.793  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.029   1.686   1.727  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.173   3.616   0.908  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.294   4.735   0.224  1.00  0.00           H  
HETATM   40  H   UNL     1       1.074   2.774   1.537  1.00  0.00           H  
HETATM   41  H   UNL     1       0.257   1.318   2.154  1.00  0.00           H  
HETATM   42  H   UNL     1       1.365   0.078   0.381  1.00  0.00           H  
HETATM   43  H   UNL     1       3.240   1.732   1.944  1.00  0.00           H  
HETATM   44  H   UNL     1       2.423   0.275   2.561  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.078  -3.934   0.592  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.539  -3.708  -0.207  1.00  0.00           H  
HETATM   47  H   UNL     1       5.067   1.542   0.417  1.00  0.00           H  
HETATM   48  H   UNL     1       2.003  -1.556   2.083  1.00  0.00           H  
HETATM   49  H   UNL     1       2.629  -3.069   1.705  1.00  0.00           H  
HETATM   50  H   UNL     1       7.170   1.311  -0.446  1.00  0.00           H  
HETATM   51  H   UNL     1       7.994  -0.266  -0.408  1.00  0.00           H  
HETATM   52  H   UNL     1       5.115   1.066  -2.304  1.00  0.00           H  
HETATM   53  H   UNL     1       6.517   2.142  -2.512  1.00  0.00           H  
HETATM   54  H   UNL     1       6.068   1.006  -3.806  1.00  0.00           H  
CONECT    1    6   21    2    2                                       
CONECT    2    1    1    3    9                                       
CONECT    3    4    4    2    7                                       
CONECT    4    5    3    3                                            
CONECT    5    6    6    4   32                                       
CONECT    6    5    5    1                                            
CONECT    7    3   10    8                                            
CONECT    8    7    9    9   33                                       
CONECT    9    2    8    8                                            
CONECT   10    7   14   11   34                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   17   35                                       
CONECT   13   16   14   12   36                                       
CONECT   14   15   10   13   37                                       
CONECT   15   14   38                                                 
CONECT   16   13   39                                                 
CONECT   17   12   18   40   41                                       
CONECT   18   17   19   42                                            
CONECT   19   18   20   43   44                                       
CONECT   20   19   22   26   26                                       
CONECT   21    1   45   46                                            
CONECT   22   27   20   23   23                                       
CONECT   23   22   22   24                                            
CONECT   24   23   25   31   31                                       
CONECT   25   26   24   28                                            
CONECT   26   20   20   25   47                                       
CONECT   27   22   48   49                                            
CONECT   28   25   29   50   51                                       
CONECT   29   28   30                                                 
CONECT   30   29   52   53   54                                       
CONECT   31   24   24                                                 
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
