COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.202  -0.022  -8.513  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.777   0.965  -7.770  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.818   1.440  -8.390  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.977   0.789  -9.567  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.899   0.871 -10.625  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.938   1.784 -10.589  1.00  0.00           N  
HETATM    7  N   UNL     1      -3.749   0.052 -11.660  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.013  -0.798  -8.154  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.760  -0.821 -11.703  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.873  -0.933 -10.737  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.939  -0.152  -9.664  1.00  0.00           C  
HETATM   12  O   UNL     1       1.122  -1.051  -4.055  1.00  0.00           O  
HETATM   13  C   UNL     1       1.912  -0.534  -5.128  1.00  0.00           C  
HETATM   14  C   UNL     1       1.489  -1.201  -6.439  1.00  0.00           C  
HETATM   15  O   UNL     1       0.112  -0.900  -6.719  1.00  0.00           O  
HETATM   16  C   UNL     1       2.330  -0.645  -7.604  1.00  0.00           C  
HETATM   17  O   UNL     1       3.067  -1.690  -8.241  1.00  0.00           O  
HETATM   18  C   UNL     1       1.277  -0.052  -8.577  1.00  0.00           C  
HETATM   19  O   UNL     1       1.615  -0.347  -9.934  1.00  0.00           O  
HETATM   20  P   UNL     1       1.618  -0.309  -2.714  1.00  0.00           P  
HETATM   21  O   UNL     1       1.402   1.278  -2.869  1.00  0.00           O  
HETATM   22  O   UNL     1       3.053  -0.593  -2.495  1.00  0.00           O  
HETATM   23  O   UNL     1       0.766  -0.846  -1.458  1.00  0.00           O  
HETATM   24  P   UNL     1       1.311  -0.067  -0.159  1.00  0.00           P  
HETATM   25  O   UNL     1       1.101   1.516  -0.356  1.00  0.00           O  
HETATM   26  O   UNL     1       2.751  -0.355   0.020  1.00  0.00           O  
HETATM   27  O   UNL     1       0.498  -0.558   1.141  1.00  0.00           O  
HETATM   28  P   UNL     1       1.092   0.257   2.396  1.00  0.00           P  
HETATM   29  O   UNL     1       0.885   1.835   2.155  1.00  0.00           O  
HETATM   30  O   UNL     1       2.536  -0.035   2.536  1.00  0.00           O  
HETATM   31  O   UNL     1       0.321  -0.186   3.737  1.00  0.00           O  
HETATM   32  P   UNL     1       0.961   0.663   4.945  1.00  0.00           P  
HETATM   33  O   UNL     1       0.757   2.235   4.662  1.00  0.00           O  
HETATM   34  O   UNL     1       2.407   0.364   5.047  1.00  0.00           O  
HETATM   35  O   UNL     1       0.233   0.267   6.325  1.00  0.00           O  
HETATM   36  N   UNL     1      -1.822   0.048  12.158  1.00  0.00           N  
HETATM   37  C   UNL     1      -2.596  -1.015  12.244  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.206  -1.300  13.437  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.800  -1.841  11.183  1.00  0.00           N  
HETATM   40  C   UNL     1      -2.212  -1.587   9.993  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.393  -2.321   9.036  1.00  0.00           O  
HETATM   42  N   UNL     1      -0.740  -0.148   8.724  1.00  0.00           N  
HETATM   43  C   UNL     1       0.203   0.726   8.679  1.00  0.00           C  
HETATM   44  C   UNL     1       0.843   1.051   7.353  1.00  0.00           C  
HETATM   45  C   UNL     1       0.682   1.432   9.921  1.00  0.00           C  
HETATM   46  N   UNL     1      -0.413   1.480  10.901  1.00  0.00           N  
HETATM   47  C   UNL     1      -1.211   0.358  11.017  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.378  -0.455   9.888  1.00  0.00           C  
HETATM   49  H   UNL     1      -1.421   1.303  -6.808  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.568   1.831 -11.325  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.037   2.377  -9.828  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.050  -1.788  -8.607  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.675  -1.469 -12.564  1.00  0.00           H  
HETATM   54  H   UNL     1       1.762   0.542  -5.204  1.00  0.00           H  
HETATM   55  H   UNL     1       2.965  -0.742  -4.937  1.00  0.00           H  
HETATM   56  H   UNL     1       1.625  -2.280  -6.366  1.00  0.00           H  
HETATM   57  H   UNL     1       3.004   0.134  -7.250  1.00  0.00           H  
HETATM   58  H   UNL     1       3.523  -1.291  -8.996  1.00  0.00           H  
HETATM   59  H   UNL     1       1.172   1.022  -8.430  1.00  0.00           H  
HETATM   60  H   UNL     1       2.423   0.144 -10.135  1.00  0.00           H  
HETATM   61  H   UNL     1       0.456   1.419  -3.010  1.00  0.00           H  
HETATM   62  H   UNL     1       0.151   1.660  -0.470  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.065   1.983   2.069  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.195   2.387   4.603  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.066  -0.722  14.203  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.781  -2.078  13.514  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.378  -2.614  11.278  1.00  0.00           H  
HETATM   68  H   UNL     1       0.705   2.109   7.133  1.00  0.00           H  
HETATM   69  H   UNL     1       1.908   0.825   7.399  1.00  0.00           H  
HETATM   70  H   UNL     1       1.527   0.889  10.345  1.00  0.00           H  
HETATM   71  H   UNL     1       0.990   2.447   9.667  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.569   2.268  11.445  1.00  0.00           H  
CONECT    1    2    8   11                                            
CONECT    2    1    3    3   49                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5   11   11                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5   50   51                                            
CONECT    7    5    5    9                                            
CONECT    8    1   15   18   52                                       
CONECT    9    7   10   10   53                                       
CONECT   10    9    9   11                                            
CONECT   11    1    4    4   10                                       
CONECT   12   13   20                                                 
CONECT   13   12   14   54   55                                       
CONECT   14   13   15   16   56                                       
CONECT   15    8   14                                                 
CONECT   16   14   17   18   57                                       
CONECT   17   16   58                                                 
CONECT   18    8   16   19   59                                       
CONECT   19   18   60                                                 
CONECT   20   12   21   22   22                                       
CONECT   20   23                                                      
CONECT   21   20   61                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24                                                 
CONECT   24   23   25   26   26                                       
CONECT   24   27                                                      
CONECT   25   24   62                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   30   30                                       
CONECT   28   31                                                      
CONECT   29   28   63                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   34   34                                       
CONECT   32   35                                                      
CONECT   33   32   64                                                 
CONECT   34   32   32                                                 
CONECT   35   32   44                                                 
CONECT   36   37   37   47                                            
CONECT   37   36   36   38   39                                       
CONECT   38   37   65   66                                            
CONECT   39   37   40   67                                            
CONECT   40   39   41   41   48                                       
CONECT   41   40   40                                                 
CONECT   42   43   43   48                                            
CONECT   43   42   42   44   45                                       
CONECT   44   35   43   68   69                                       
CONECT   45   43   46   70   71                                       
CONECT   46   45   47   72                                            
CONECT   47   36   46   48   48                                       
CONECT   48   40   42   47   47                                       
CONECT   49    2                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   21                                                      
CONECT   62   25                                                      
CONECT   63   29                                                      
CONECT   64   33                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   44                                                      
CONECT   69   44                                                      
CONECT   70   45                                                      
CONECT   71   45                                                      
CONECT   72   46                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
