COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.669   0.791  -1.794  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.234   1.518  -0.933  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.260   3.013  -1.124  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.884   3.342  -2.481  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.910   4.860  -2.675  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.732   0.994   0.197  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.744  -0.453   0.315  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.055  -0.900   0.965  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.166  -0.576   0.088  1.00  0.00           O  
HETATM   10  C   UNL     1      -8.395  -0.906   0.515  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.597  -0.601  -0.342  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.865  -1.075   0.371  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.085  -0.765  -0.499  1.00  0.00           C  
HETATM   14  O   UNL     1      -8.538  -1.446   1.586  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.566  -0.904   1.180  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.340  -0.590   0.516  1.00  0.00           O  
HETATM   17  P   UNL     1      -0.894  -0.924   1.140  1.00  0.00           P  
HETATM   18  O   UNL     1      -0.676  -0.061   2.481  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.818  -2.367   1.464  1.00  0.00           O  
HETATM   20  O   UNL     1       0.251  -0.553   0.071  1.00  0.00           O  
HETATM   21  C   UNL     1       1.636  -0.831   0.286  1.00  0.00           C  
HETATM   22  C   UNL     1       2.429   0.477   0.259  1.00  0.00           C  
HETATM   23  O   UNL     1       2.261   1.110  -1.011  1.00  0.00           O  
HETATM   24  C   UNL     1       3.912   0.180   0.489  1.00  0.00           C  
HETATM   25  O   UNL     1       4.652   1.402   0.465  1.00  0.00           O  
HETATM   26  P   UNL     1       5.521   1.926   1.714  1.00  0.00           P  
HETATM   27  O   UNL     1       4.542   2.257   2.948  1.00  0.00           O  
HETATM   28  O   UNL     1       6.486   0.879   2.118  1.00  0.00           O  
HETATM   29  O   UNL     1       6.320   3.258   1.291  1.00  0.00           O  
HETATM   30  C   UNL     1       4.423  -0.749  -0.614  1.00  0.00           C  
HETATM   31  O   UNL     1       5.808  -1.026  -0.399  1.00  0.00           O  
HETATM   32  P   UNL     1       6.953  -0.655  -1.469  1.00  0.00           P  
HETATM   33  O   UNL     1       7.044   0.945  -1.624  1.00  0.00           O  
HETATM   34  O   UNL     1       8.369  -1.227  -0.959  1.00  0.00           O  
HETATM   35  O   UNL     1       6.620  -1.260  -2.778  1.00  0.00           O  
HETATM   36  C   UNL     1       3.630  -2.057  -0.588  1.00  0.00           C  
HETATM   37  O   UNL     1       4.108  -2.924  -1.618  1.00  0.00           O  
HETATM   38  C   UNL     1       2.147  -1.760  -0.818  1.00  0.00           C  
HETATM   39  O   UNL     1       1.407  -2.982  -0.793  1.00  0.00           O  
HETATM   40  H   UNL     1      -5.852   3.470  -0.331  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.242   3.401  -1.087  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.291   2.885  -3.274  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.901   2.954  -2.518  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.354   5.095  -3.643  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.502   5.317  -1.883  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.892   5.248  -2.639  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.660  -0.899  -0.676  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.028  -1.976   1.135  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.182  -0.385   1.918  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.657   0.474  -0.515  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.502  -1.118  -1.297  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.805  -2.149   0.544  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.960  -0.558   1.326  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.991  -1.282  -1.454  1.00  0.00           H  
HETATM   55  H   UNL     1     -12.988  -1.103   0.009  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.145   0.309  -0.672  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.602  -0.389   2.140  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.625  -1.980   1.342  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.713   0.895   2.344  1.00  0.00           H  
HETATM   60  H   UNL     1       1.764  -1.314   1.255  1.00  0.00           H  
HETATM   61  H   UNL     1       2.064   1.138   1.045  1.00  0.00           H  
HETATM   62  H   UNL     1       1.344   1.328  -1.224  1.00  0.00           H  
HETATM   63  H   UNL     1       4.039  -0.303   1.458  1.00  0.00           H  
HETATM   64  H   UNL     1       3.882   2.936   2.755  1.00  0.00           H  
HETATM   65  H   UNL     1       6.867   3.630   1.997  1.00  0.00           H  
HETATM   66  H   UNL     1       4.295  -0.266  -1.583  1.00  0.00           H  
HETATM   67  H   UNL     1       7.260   1.408  -0.803  1.00  0.00           H  
HETATM   68  H   UNL     1       9.107  -1.040  -1.555  1.00  0.00           H  
HETATM   69  H   UNL     1       3.758  -2.540   0.381  1.00  0.00           H  
HETATM   70  H   UNL     1       3.649  -3.774  -1.661  1.00  0.00           H  
HETATM   71  H   UNL     1       2.020  -1.277  -1.787  1.00  0.00           H  
HETATM   72  H   UNL     1       1.678  -3.619  -1.468  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    6    1    1                                       
CONECT    3    4    2   40   41                                       
CONECT    4    5    3   42   43                                       
CONECT    5    4   44   45   46                                       
CONECT    6    7    2                                                 
CONECT    7    8    6   15   47                                       
CONECT    8    9    7   48   49                                       
CONECT    9   10    8                                                 
CONECT   10   14   14   11    9                                       
CONECT   11   10   12   50   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   12   54   55   56                                       
CONECT   14   10   10                                                 
CONECT   15    7   16   57   58                                       
CONECT   16   15   17                                                 
CONECT   17   16   19   19   20                                       
CONECT   17   18                                                      
CONECT   18   17   59                                                 
CONECT   19   17   17                                                 
CONECT   20   21   17                                                 
CONECT   21   38   20   22   60                                       
CONECT   22   21   24   23   61                                       
CONECT   23   22   62                                                 
CONECT   24   30   22   25   63                                       
CONECT   25   24   26                                                 
CONECT   26   25   28   28   27                                       
CONECT   26   29                                                      
CONECT   27   26   64                                                 
CONECT   28   26   26                                                 
CONECT   29   26   65                                                 
CONECT   30   36   31   24   66                                       
CONECT   31   32   30                                                 
CONECT   32   35   35   33   31                                       
CONECT   32   34                                                      
CONECT   33   32   67                                                 
CONECT   34   32   68                                                 
CONECT   35   32   32                                                 
CONECT   36   37   38   30   69                                       
CONECT   37   36   70                                                 
CONECT   38   39   36   21   71                                       
CONECT   39   38   72                                                 
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   27                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
