COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.396   6.654  -2.687  1.00  0.00           C  
HETATM    2  N   UNL     1       3.197   5.441  -1.890  1.00  0.00           N  
HETATM    3  C   UNL     1       3.171   5.519  -0.504  1.00  0.00           C  
HETATM    4  C   UNL     1       3.450   6.721   0.134  1.00  0.00           C  
HETATM    5  C   UNL     1       3.424   6.796   1.511  1.00  0.00           C  
HETATM    6  C   UNL     1       3.120   5.676   2.269  1.00  0.00           C  
HETATM    7  C   UNL     1       2.840   4.475   1.656  1.00  0.00           C  
HETATM    8  C   UNL     1       2.856   4.384   0.261  1.00  0.00           C  
HETATM    9  C   UNL     1       2.558   3.103  -0.402  1.00  0.00           C  
HETATM   10  O   UNL     1       2.676   3.001  -1.607  1.00  0.00           O  
HETATM   11  O   UNL     1       2.153   2.045   0.328  1.00  0.00           O  
HETATM   12  C   UNL     1       1.859   0.782  -0.326  1.00  0.00           C  
HETATM   13  C   UNL     1       3.105  -0.131  -0.326  1.00  0.00           C  
HETATM   14  O   UNL     1       4.204   0.521   0.315  1.00  0.00           O  
HETATM   15  C   UNL     1       0.808  -0.012   0.481  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.587   0.176  -0.118  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.545  -0.533   0.671  1.00  0.00           O  
HETATM   18  P   UNL     1      -2.982  -0.292  -0.013  1.00  0.00           P  
HETATM   19  O   UNL     1      -3.231   1.161  -0.139  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.001  -0.968  -1.474  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.129  -0.957   0.900  1.00  0.00           O  
HETATM   22  P   UNL     1      -5.534  -0.353   0.396  1.00  0.00           P  
HETATM   23  O   UNL     1      -5.576  -0.371  -1.084  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.685   1.162   0.918  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.741  -1.245   0.978  1.00  0.00           O  
HETATM   26  P   UNL     1      -8.025  -0.950   0.052  1.00  0.00           P  
HETATM   27  O   UNL     1      -8.075   0.491  -0.279  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.916  -1.809  -1.305  1.00  0.00           O  
HETATM   29  O   UNL     1      -9.364  -1.366   0.844  1.00  0.00           O  
HETATM   30  O   UNL     1       1.223  -1.393   0.365  1.00  0.00           O  
HETATM   31  C   UNL     1       2.662  -1.371   0.482  1.00  0.00           C  
HETATM   32  N   UNL     1       3.242  -2.588  -0.092  1.00  0.00           N  
HETATM   33  C   UNL     1       2.642  -3.421  -0.991  1.00  0.00           C  
HETATM   34  N   UNL     1       3.444  -4.402  -1.285  1.00  0.00           N  
HETATM   35  C   UNL     1       4.602  -4.258  -0.596  1.00  0.00           C  
HETATM   36  C   UNL     1       4.487  -3.093   0.171  1.00  0.00           C  
HETATM   37  N   UNL     1       5.499  -2.716   0.960  1.00  0.00           N  
HETATM   38  C   UNL     1       6.609  -3.417   1.022  1.00  0.00           C  
HETATM   39  N   UNL     1       7.623  -2.988   1.842  1.00  0.00           N  
HETATM   40  N   UNL     1       6.783  -4.557   0.296  1.00  0.00           N  
HETATM   41  C   UNL     1       5.802  -5.003  -0.519  1.00  0.00           C  
HETATM   42  O   UNL     1       5.948  -6.021  -1.173  1.00  0.00           O  
HETATM   43  H   UNL     1       3.387   6.397  -3.747  1.00  0.00           H  
HETATM   44  H   UNL     1       2.594   7.362  -2.478  1.00  0.00           H  
HETATM   45  H   UNL     1       4.355   7.104  -2.431  1.00  0.00           H  
HETATM   46  H   UNL     1       3.083   4.584  -2.330  1.00  0.00           H  
HETATM   47  H   UNL     1       3.688   7.599  -0.449  1.00  0.00           H  
HETATM   48  H   UNL     1       3.643   7.733   2.002  1.00  0.00           H  
HETATM   49  H   UNL     1       3.102   5.745   3.347  1.00  0.00           H  
HETATM   50  H   UNL     1       2.604   3.606   2.252  1.00  0.00           H  
HETATM   51  H   UNL     1       1.510   0.953  -1.344  1.00  0.00           H  
HETATM   52  H   UNL     1       3.371  -0.414  -1.344  1.00  0.00           H  
HETATM   53  H   UNL     1       4.950  -0.093   0.284  1.00  0.00           H  
HETATM   54  H   UNL     1       0.817   0.300   1.525  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.839   1.237  -0.128  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.600  -0.210  -1.138  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.835  -1.913  -1.348  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.653   1.130   1.884  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.886  -2.740  -1.045  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.107  -1.174   0.256  1.00  0.00           H  
HETATM   61  H   UNL     1       2.956  -1.268   1.527  1.00  0.00           H  
HETATM   62  H   UNL     1       1.651  -3.286  -1.397  1.00  0.00           H  
HETATM   63  H   UNL     1       8.448  -3.495   1.899  1.00  0.00           H  
HETATM   64  H   UNL     1       7.514  -2.178   2.365  1.00  0.00           H  
HETATM   65  H   UNL     1       7.615  -5.051   0.365  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    1    3   46                                            
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   47                                       
CONECT    5    4    6    6   48                                       
CONECT    6    5    5    7   49                                       
CONECT    7    6    8    8   50                                       
CONECT    8    3    7    7    9                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12                                                 
CONECT   12   11   13   15   51                                       
CONECT   13   12   14   31   52                                       
CONECT   14   13   53                                                 
CONECT   15   12   16   30   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   18   21                                                      
CONECT   19   18   18                                                 
CONECT   20   18   57                                                 
CONECT   21   18   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   22   25                                                      
CONECT   23   22   22                                                 
CONECT   24   22   58                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   26   29                                                      
CONECT   27   26   26                                                 
CONECT   28   26   59                                                 
CONECT   29   26   60                                                 
CONECT   30   15   31                                                 
CONECT   31   13   30   32   61                                       
CONECT   32   31   33   36                                            
CONECT   33   32   34   34   62                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   36   41                                       
CONECT   36   32   35   35   37                                       
CONECT   37   36   38   38                                            
CONECT   38   37   37   39   40                                       
CONECT   39   38   63   64                                            
CONECT   40   38   41   65                                            
CONECT   41   35   40   42   42                                       
CONECT   42   41   41                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   20                                                      
CONECT   58   24                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   33                                                      
CONECT   63   39                                                      
CONECT   64   39                                                      
CONECT   65   40                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
