COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.179  -2.238  -0.291  1.00  0.00           C  
HETATM    2  C   UNL     1       6.357  -2.768  -1.579  1.00  0.00           C  
HETATM    3  C   UNL     1       7.293  -3.803  -1.748  1.00  0.00           C  
HETATM    4  C   UNL     1       4.850  -1.215  -1.722  1.00  0.00           C  
HETATM    5  N   UNL     1       7.964  -4.229  -0.683  1.00  0.00           N  
HETATM    6  N   UNL     1       6.894  -2.731   0.715  1.00  0.00           N  
HETATM    7  N   UNL     1      -9.858  -0.716   4.346  1.00  0.00           N  
HETATM    8  C   UNL     1      -9.103  -0.423   3.268  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.884   0.739   2.977  1.00  0.00           O  
HETATM   10  C   UNL     1      -8.566  -1.464   2.476  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.819  -1.143   1.409  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.849  -2.888   2.865  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.623  -3.816   1.669  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.255  -3.495   1.051  1.00  0.00           C  
HETATM   15  N   UNL     1      -7.280  -2.099   0.595  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.739  -1.737  -0.717  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.765  -0.679  -0.586  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.850  -1.143  -1.611  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.364  -2.137  -2.500  1.00  0.00           O  
HETATM   20  C   UNL     1      -7.135  -0.025  -2.404  1.00  0.00           C  
HETATM   21  O   UNL     1      -7.186  -0.295  -3.806  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.678  -0.077  -1.895  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.098   1.335  -1.795  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.737   1.262  -1.364  1.00  0.00           O  
HETATM   25  P   UNL     1      -2.815   2.564  -1.149  1.00  0.00           P  
HETATM   26  O   UNL     1      -2.801   3.369  -2.391  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.407   3.449   0.058  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.314   2.104  -0.791  1.00  0.00           O  
HETATM   29  P   UNL     1       0.110   2.856  -0.764  1.00  0.00           P  
HETATM   30  O   UNL     1      -0.040   4.171  -0.101  1.00  0.00           O  
HETATM   31  O   UNL     1       0.632   3.071  -2.272  1.00  0.00           O  
HETATM   32  O   UNL     1       1.173   1.963   0.050  1.00  0.00           O  
HETATM   33  C   UNL     1       2.501   2.405   0.340  1.00  0.00           C  
HETATM   34  C   UNL     1       3.240   1.318   1.123  1.00  0.00           C  
HETATM   35  O   UNL     1       3.434   0.162   0.291  1.00  0.00           O  
HETATM   36  C   UNL     1       4.636   1.826   1.534  1.00  0.00           C  
HETATM   37  O   UNL     1       4.771   1.821   2.957  1.00  0.00           O  
HETATM   38  C   UNL     1       5.613   0.811   0.893  1.00  0.00           C  
HETATM   39  O   UNL     1       6.682   0.497   1.789  1.00  0.00           O  
HETATM   40  P   UNL     1       8.231   0.738   1.423  1.00  0.00           P  
HETATM   41  O   UNL     1       8.649  -0.218   0.197  1.00  0.00           O  
HETATM   42  O   UNL     1       8.433   2.152   1.037  1.00  0.00           O  
HETATM   43  O   UNL     1       9.144   0.397   2.705  1.00  0.00           O  
HETATM   44  C   UNL     1       4.700  -0.421   0.668  1.00  0.00           C  
HETATM   45  N   UNL     1       5.224  -1.261  -0.412  1.00  0.00           N  
HETATM   46  N   UNL     1       5.516  -2.100  -2.405  1.00  0.00           N  
HETATM   47  C   UNL     1       7.763  -3.698   0.510  1.00  0.00           C  
HETATM   48  N   UNL     1       7.511  -4.365  -2.994  1.00  0.00           N  
HETATM   49  H   UNL     1       4.110  -0.544  -2.133  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.226  -0.002   4.889  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.032  -1.642   4.578  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.638  -0.101   1.188  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.184  -3.179   3.679  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.883  -2.972   3.198  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.640  -4.853   2.003  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.474  -3.620   1.801  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.291  -2.608  -1.196  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.650  -0.725  -1.000  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.064  -1.817  -3.085  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.584   0.944  -2.186  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.083  -0.334  -4.167  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.067  -0.693  -2.556  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.145   1.817  -2.771  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.676   1.915  -1.075  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.446   2.984   0.905  1.00  0.00           H  
HETATM   66  H   UNL     1       0.753   2.250  -2.767  1.00  0.00           H  
HETATM   67  H   UNL     1       3.029   2.604  -0.592  1.00  0.00           H  
HETATM   68  H   UNL     1       2.458   3.316   0.936  1.00  0.00           H  
HETATM   69  H   UNL     1       2.667   1.045   2.009  1.00  0.00           H  
HETATM   70  H   UNL     1       4.809   2.827   1.139  1.00  0.00           H  
HETATM   71  H   UNL     1       4.143   2.397   3.414  1.00  0.00           H  
HETATM   72  H   UNL     1       5.999   1.187  -0.054  1.00  0.00           H  
HETATM   73  H   UNL     1       8.542  -1.162   0.381  1.00  0.00           H  
HETATM   74  H   UNL     1      10.092   0.520   2.557  1.00  0.00           H  
HETATM   75  H   UNL     1       4.598  -0.997   1.588  1.00  0.00           H  
HETATM   76  H   UNL     1       8.330  -4.075   1.348  1.00  0.00           H  
HETATM   77  H   UNL     1       7.014  -4.045  -3.763  1.00  0.00           H  
HETATM   78  H   UNL     1       8.160  -5.078  -3.097  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.406  -3.654   0.928  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.067  -4.158   0.207  1.00  0.00           H  
CONECT    1    6    2    2   45                                       
CONECT    2    3    1    1   46                                       
CONECT    3    5    5   48    2                                       
CONECT    4   45   46   46   49                                       
CONECT    5   47    3    3                                            
CONECT    6   47   47    1                                            
CONECT    7    8   50   51                                            
CONECT    8    9    9   10    7                                       
CONECT    9    8    8                                                 
CONECT   10   12    8   11   11                                       
CONECT   11   10   10   15   52                                       
CONECT   12   10   13   53   54                                       
CONECT   13   12   14   55   79                                       
CONECT   14   13   15   56   80                                       
CONECT   15   14   11   16                                            
CONECT   16   15   18   17   57                                       
CONECT   17   16   22                                                 
CONECT   18   19   16   20   58                                       
CONECT   19   18   59                                                 
CONECT   20   18   21   22   60                                       
CONECT   21   20   61                                                 
CONECT   22   20   17   23   62                                       
CONECT   23   24   22   63   64                                       
CONECT   24   25   23                                                 
CONECT   25   26   26   28   24                                       
CONECT   25   27                                                      
CONECT   26   25   25                                                 
CONECT   27   25   65                                                 
CONECT   28   29   25                                                 
CONECT   29   30   30   32   28                                       
CONECT   29   31                                                      
CONECT   30   29   29                                                 
CONECT   31   29   66                                                 
CONECT   32   29   33                                                 
CONECT   33   32   34   67   68                                       
CONECT   34   36   33   35   69                                       
CONECT   35   44   34                                                 
CONECT   36   38   37   34   70                                       
CONECT   37   36   71                                                 
CONECT   38   39   36   44   72                                       
CONECT   39   40   38                                                 
CONECT   40   42   42   43   41                                       
CONECT   40   39                                                      
CONECT   41   40   73                                                 
CONECT   42   40   40                                                 
CONECT   43   40   74                                                 
CONECT   44   38   45   35   75                                       
CONECT   45    1   44    4                                            
CONECT   46    2    4    4                                            
CONECT   47    5    6    6   76                                       
CONECT   48    3   77   78                                            
CONECT   49    4                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   27                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   41                                                      
CONECT   74   43                                                      
CONECT   75   44                                                      
CONECT   76   47                                                      
CONECT   77   48                                                      
CONECT   78   48                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
