COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.374   4.011  -0.783  1.00  0.00           C  
HETATM    2  C   UNL     1      10.857   3.985  -0.613  1.00  0.00           C  
HETATM    3  C   UNL     1      11.185   5.330   0.032  1.00  0.00           C  
HETATM    4  C   UNL     1       9.838   5.983   0.169  1.00  0.00           C  
HETATM    5  O   UNL     1       9.646   7.090   0.650  1.00  0.00           O  
HETATM    6  P   UNL     1       7.026   2.254   3.364  1.00  0.00           P  
HETATM    7  O   UNL     1       6.524   3.358   4.248  1.00  0.00           O  
HETATM    8  O   UNL     1       6.180   2.017   2.006  1.00  0.00           O  
HETATM    9  O   UNL     1       7.064   0.789   4.053  1.00  0.00           O  
HETATM   10  C   UNL     1       7.526  -0.308   3.282  1.00  0.00           C  
HETATM   11  C   UNL     1       6.827  -1.574   3.760  1.00  0.00           C  
HETATM   12  O   UNL     1       5.414  -1.414   3.527  1.00  0.00           O  
HETATM   13  C   UNL     1       5.012  -2.269   2.448  1.00  0.00           C  
HETATM   14  N   UNL     1       4.225  -1.517   1.515  1.00  0.00           N  
HETATM   15  C   UNL     1       3.671  -2.139   0.416  1.00  0.00           C  
HETATM   16  N   UNL     1       3.894  -3.498   0.241  1.00  0.00           N  
HETATM   17  C   UNL     1       3.382  -4.109  -0.788  1.00  0.00           C  
HETATM   18  N   UNL     1       3.567  -5.448  -1.014  1.00  0.00           N  
HETATM   19  N   UNL     1       2.614  -3.444  -1.725  1.00  0.00           N  
HETATM   20  C   UNL     1       2.330  -2.099  -1.650  1.00  0.00           C  
HETATM   21  O   UNL     1       1.651  -1.493  -2.473  1.00  0.00           O  
HETATM   22  C   UNL     1       2.927  -1.426  -0.465  1.00  0.00           C  
HETATM   23  N   UNL     1       2.672  -0.074  -0.343  1.00  0.00           N  
HETATM   24  C   UNL     1       2.004   0.396   0.791  1.00  0.00           C  
HETATM   25  O   UNL     1       1.708   1.560   1.039  1.00  0.00           O  
HETATM   26  C   UNL     1       6.276  -2.840   1.827  1.00  0.00           C  
HETATM   27  C   UNL     1       7.249  -2.813   2.983  1.00  0.00           C  
HETATM   28  O   UNL     1       7.070  -3.975   3.789  1.00  0.00           O  
HETATM   29  C   UNL     1       3.098   0.818  -1.383  1.00  0.00           C  
HETATM   30  C   UNL     1       4.143   1.807  -0.901  1.00  0.00           C  
HETATM   31  O   UNL     1       3.543   2.982  -0.385  1.00  0.00           O  
HETATM   32  C   UNL     1       4.917   2.110  -2.167  1.00  0.00           C  
HETATM   33  C   UNL     1       6.385   2.156  -1.995  1.00  0.00           C  
HETATM   34  O   UNL     1       3.707   0.056  -2.429  1.00  0.00           O  
HETATM   35  C   UNL     1       4.786   0.821  -2.987  1.00  0.00           C  
HETATM   36  O   UNL     1       6.033   0.085  -2.950  1.00  0.00           O  
HETATM   37  C   UNL     1       6.947   0.978  -2.455  1.00  0.00           C  
HETATM   38  C   UNL     1       8.308   0.740  -2.384  1.00  0.00           C  
HETATM   39  C   UNL     1       9.127   1.734  -1.837  1.00  0.00           C  
HETATM   40  O   UNL     1      10.464   1.465  -1.795  1.00  0.00           O  
HETATM   41  C   UNL     1      10.958   0.824  -0.621  1.00  0.00           C  
HETATM   42  C   UNL     1       8.578   2.940  -1.366  1.00  0.00           C  
HETATM   43  C   UNL     1       7.194   3.136  -1.451  1.00  0.00           C  
HETATM   44  O   UNL     1       6.587   4.322  -0.986  1.00  0.00           O  
HETATM   45  C   UNL     1       7.329   5.359  -0.421  1.00  0.00           C  
HETATM   46  O   UNL     1       6.810   6.390  -0.013  1.00  0.00           O  
HETATM   47  C   UNL     1       8.769   5.120  -0.354  1.00  0.00           C  
HETATM   48  H   UNL     1      11.172   3.160   0.035  1.00  0.00           H  
HETATM   49  H   UNL     1      11.371   3.883  -1.575  1.00  0.00           H  
HETATM   50  H   UNL     1      11.831   5.935  -0.610  1.00  0.00           H  
HETATM   51  H   UNL     1      11.642   5.201   1.018  1.00  0.00           H  
HETATM   52  H   UNL     1       5.963   2.790   1.442  1.00  0.00           H  
HETATM   53  H   UNL     1       7.299  -0.123   2.229  1.00  0.00           H  
HETATM   54  H   UNL     1       8.607  -0.401   3.409  1.00  0.00           H  
HETATM   55  H   UNL     1       6.980  -1.690   4.837  1.00  0.00           H  
HETATM   56  H   UNL     1       4.400  -3.069   2.878  1.00  0.00           H  
HETATM   57  H   UNL     1       4.044  -0.552   1.603  1.00  0.00           H  
HETATM   58  H   UNL     1       3.846  -6.021  -0.251  1.00  0.00           H  
HETATM   59  H   UNL     1       3.415  -5.797  -1.932  1.00  0.00           H  
HETATM   60  H   UNL     1       2.241  -3.973  -2.507  1.00  0.00           H  
HETATM   61  H   UNL     1       1.742  -0.408   1.499  1.00  0.00           H  
HETATM   62  H   UNL     1       6.638  -2.189   1.022  1.00  0.00           H  
HETATM   63  H   UNL     1       6.106  -3.838   1.411  1.00  0.00           H  
HETATM   64  H   UNL     1       8.295  -2.793   2.666  1.00  0.00           H  
HETATM   65  H   UNL     1       6.113  -4.147   3.839  1.00  0.00           H  
HETATM   66  H   UNL     1       2.204   1.314  -1.776  1.00  0.00           H  
HETATM   67  H   UNL     1       4.778   1.375  -0.118  1.00  0.00           H  
HETATM   68  H   UNL     1       2.840   2.691   0.215  1.00  0.00           H  
HETATM   69  H   UNL     1       4.532   2.979  -2.712  1.00  0.00           H  
HETATM   70  H   UNL     1       4.553   1.032  -4.037  1.00  0.00           H  
HETATM   71  H   UNL     1       8.738  -0.190  -2.739  1.00  0.00           H  
HETATM   72  H   UNL     1      11.057  -0.248  -0.805  1.00  0.00           H  
HETATM   73  H   UNL     1      10.269   1.001   0.209  1.00  0.00           H  
HETATM   74  H   UNL     1      11.937   1.241  -0.374  1.00  0.00           H  
HETATM   75  O   UNL     1       8.541   2.441   2.831  1.00  0.00           O  
HETATM   76  H   UNL     1       8.806   3.304   2.447  1.00  0.00           H  
CONECT    1    2   42   47   47                                       
CONECT    2    1    3   48   49                                       
CONECT    3    2    4   50   51                                       
CONECT    4    3    5    5   47                                       
CONECT    5    4    4                                                 
CONECT    6    7    7    8    9                                       
CONECT    6   75                                                      
CONECT    7    6    6                                                 
CONECT    8    6   52                                                 
CONECT    9    6   10                                                 
CONECT   10    9   11   53   54                                       
CONECT   11   10   12   27   55                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   26   56                                       
CONECT   14   13   15   57                                            
CONECT   15   14   16   22   22                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   19                                       
CONECT   18   17   58   59                                            
CONECT   19   17   20   60                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   15   15   20   23                                       
CONECT   23   22   24   29                                            
CONECT   24   23   25   25   61                                       
CONECT   25   24   24                                                 
CONECT   26   13   27   62   63                                       
CONECT   27   11   26   28   64                                       
CONECT   28   27   65                                                 
CONECT   29   23   30   34   66                                       
CONECT   30   29   31   32   67                                       
CONECT   31   30   68                                                 
CONECT   32   30   33   35   69                                       
CONECT   33   32   37   37   43                                       
CONECT   34   29   35                                                 
CONECT   35   32   34   36   70                                       
CONECT   36   35   37                                                 
CONECT   37   33   33   36   38                                       
CONECT   38   37   39   39   71                                       
CONECT   39   38   38   40   42                                       
CONECT   40   39   41                                                 
CONECT   41   40   72   73   74                                       
CONECT   42    1   39   43   43                                       
CONECT   43   33   42   42   44                                       
CONECT   44   43   45                                                 
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47    1    1    4   45                                       
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    8                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   24                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   35                                                      
CONECT   71   38                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75    6   76                                                 
CONECT   76   75                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
