COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.062  -0.453   1.580  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.789   0.199   2.822  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.401   0.043   1.029  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.334   1.563   0.841  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.212   2.202   2.113  1.00  0.00           O  
HETATM    6  C   UNL     1      -5.108   1.894  -0.021  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.294   1.375  -1.340  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.867   1.259   0.609  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.019  -0.159   0.652  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.635   1.613  -0.227  1.00  0.00           C  
HETATM   11  P   UNL     1      -8.042  -1.396  -0.066  1.00  0.00           P  
HETATM   12  O   UNL     1      -6.662  -0.583  -0.229  1.00  0.00           O  
HETATM   13  O   UNL     1      -9.103  -0.478   0.405  1.00  0.00           O  
HETATM   14  O   UNL     1      -7.844  -2.582   1.005  1.00  0.00           O  
HETATM   15  O   UNL     1      -8.467  -2.022  -1.487  1.00  0.00           O  
HETATM   16  C   UNL     1      -9.749  -2.626  -1.306  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.214  -3.243  -2.627  1.00  0.00           C  
HETATM   18  P   UNL     1      -0.210   1.530  -0.505  1.00  0.00           P  
HETATM   19  O   UNL     1      -1.461   1.125   0.425  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.312   0.752  -1.910  1.00  0.00           O  
HETATM   21  O   UNL     1       1.161   1.126   0.235  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.229   2.990  -0.747  1.00  0.00           O  
HETATM   23  C   UNL     1       4.891  -0.448   0.862  1.00  0.00           C  
HETATM   24  O   UNL     1       4.987  -1.859   1.061  1.00  0.00           O  
HETATM   25  C   UNL     1       6.137   0.047   0.124  1.00  0.00           C  
HETATM   26  C   UNL     1       6.041   1.566  -0.056  1.00  0.00           C  
HETATM   27  O   UNL     1       7.122   2.022  -0.871  1.00  0.00           O  
HETATM   28  C   UNL     1       4.707   1.895  -0.734  1.00  0.00           C  
HETATM   29  O   UNL     1       4.530   3.313  -0.779  1.00  0.00           O  
HETATM   30  C   UNL     1       3.569   1.262   0.070  1.00  0.00           C  
HETATM   31  O   UNL     1       3.726  -0.155   0.093  1.00  0.00           O  
HETATM   32  C   UNL     1       2.229   1.615  -0.580  1.00  0.00           C  
HETATM   33  P   UNL     1       8.215  -1.225  -0.039  1.00  0.00           P  
HETATM   34  O   UNL     1       7.303  -0.274   0.885  1.00  0.00           O  
HETATM   35  O   UNL     1       8.720  -0.399  -1.326  1.00  0.00           O  
HETATM   36  O   UNL     1       7.420  -2.391  -0.483  1.00  0.00           O  
HETATM   37  O   UNL     1       9.488  -1.733   0.805  1.00  0.00           O  
HETATM   38  C   UNL     1      10.191  -2.660  -0.024  1.00  0.00           C  
HETATM   39  C   UNL     1      11.419  -3.184   0.723  1.00  0.00           C  
HETATM   40  H   UNL     1      -5.112  -1.530   1.739  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.939  -0.140   3.135  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.198  -0.203   1.731  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.238   1.911   0.341  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.160   3.153   1.944  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.979   2.976  -0.070  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.084   1.801  -1.699  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.739   1.640   1.622  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.721   1.154  -1.212  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.568   2.695  -0.335  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.146  -3.156   0.660  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.466  -1.868  -0.988  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.681  -3.404  -0.546  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.497  -4.000  -2.946  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.192  -3.704  -2.489  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.282  -2.465  -3.387  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.297  -0.194  -1.708  1.00  0.00           H  
HETATM   57  H   UNL     1       4.821   0.050   1.829  1.00  0.00           H  
HETATM   58  H   UNL     1       4.187  -2.130   1.532  1.00  0.00           H  
HETATM   59  H   UNL     1       6.196  -0.433  -0.853  1.00  0.00           H  
HETATM   60  H   UNL     1       6.087   2.053   0.918  1.00  0.00           H  
HETATM   61  H   UNL     1       7.023   2.980  -0.958  1.00  0.00           H  
HETATM   62  H   UNL     1       4.705   1.496  -1.748  1.00  0.00           H  
HETATM   63  H   UNL     1       5.270   3.671  -1.287  1.00  0.00           H  
HETATM   64  H   UNL     1       3.589   1.646   1.090  1.00  0.00           H  
HETATM   65  H   UNL     1       2.172   1.156  -1.567  1.00  0.00           H  
HETATM   66  H   UNL     1       2.146   2.697  -0.677  1.00  0.00           H  
HETATM   67  H   UNL     1       9.233   0.351  -0.993  1.00  0.00           H  
HETATM   68  H   UNL     1       9.535  -3.494  -0.275  1.00  0.00           H  
HETATM   69  H   UNL     1      10.509  -2.161  -0.939  1.00  0.00           H  
HETATM   70  H   UNL     1      11.101  -3.684   1.638  1.00  0.00           H  
HETATM   71  H   UNL     1      11.955  -3.892   0.090  1.00  0.00           H  
HETATM   72  H   UNL     1      12.075  -2.351   0.973  1.00  0.00           H  
CONECT    1    2    3    9   40                                       
CONECT    2    1   41                                                 
CONECT    3    1    4   12   42                                       
CONECT    4    3    5    6   43                                       
CONECT    5    4   44                                                 
CONECT    6    4    7    8   45                                       
CONECT    7    6   46                                                 
CONECT    8    6    9   10   47                                       
CONECT    9    1    8                                                 
CONECT   10    8   19   48   49                                       
CONECT   11   12   13   13   14                                       
CONECT   11   15                                                      
CONECT   12    3   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   50                                                 
CONECT   15   11   16                                                 
CONECT   16   15   17   51   52                                       
CONECT   17   16   53   54   55                                       
CONECT   18   19   20   21   22                                       
CONECT   18   22                                                      
CONECT   19   10   18                                                 
CONECT   20   18   56                                                 
CONECT   21   18   32                                                 
CONECT   22   18   18                                                 
CONECT   23   24   25   31   57                                       
CONECT   24   23   58                                                 
CONECT   25   23   26   34   59                                       
CONECT   26   25   27   28   60                                       
CONECT   27   26   61                                                 
CONECT   28   26   29   30   62                                       
CONECT   29   28   63                                                 
CONECT   30   28   31   32   64                                       
CONECT   31   23   30                                                 
CONECT   32   21   30   65   66                                       
CONECT   33   34   35   36   36                                       
CONECT   33   37                                                      
CONECT   34   25   33                                                 
CONECT   35   33   67                                                 
CONECT   36   33   33                                                 
CONECT   37   33   38                                                 
CONECT   38   37   39   68   69                                       
CONECT   39   38   70   71   72                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   35                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   39                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
