COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.863   2.049  -1.990  1.00  0.00           N  
HETATM    2  C   UNL     1       7.917   2.077  -0.996  1.00  0.00           C  
HETATM    3  N   UNL     1       8.029   3.005  -0.003  1.00  0.00           N  
HETATM    4  N   UNL     1       6.928   1.213  -1.031  1.00  0.00           N  
HETATM    5  C   UNL     1       5.983   1.204  -0.083  1.00  0.00           C  
HETATM    6  C   UNL     1       6.045   2.128   0.967  1.00  0.00           C  
HETATM    7  C   UNL     1       7.112   3.056   0.989  1.00  0.00           C  
HETATM    8  O   UNL     1       7.203   3.882   1.881  1.00  0.00           O  
HETATM    9  N   UNL     1       4.979   1.896   1.770  1.00  0.00           N  
HETATM   10  C   UNL     1       4.283   0.908   1.288  1.00  0.00           C  
HETATM   11  N   UNL     1       4.865   0.448   0.143  1.00  0.00           N  
HETATM   12  C   UNL     1       4.381  -0.655  -0.692  1.00  0.00           C  
HETATM   13  C   UNL     1       5.086  -1.980  -0.307  1.00  0.00           C  
HETATM   14  O   UNL     1       6.323  -2.123  -1.008  1.00  0.00           O  
HETATM   15  C   UNL     1       4.060  -3.041  -0.776  1.00  0.00           C  
HETATM   16  O   UNL     1       4.420  -3.552  -2.060  1.00  0.00           O  
HETATM   17  C   UNL     1       2.729  -2.268  -0.857  1.00  0.00           C  
HETATM   18  O   UNL     1       2.989  -0.923  -0.423  1.00  0.00           O  
HETATM   19  C   UNL     1       1.692  -2.920   0.060  1.00  0.00           C  
HETATM   20  O   UNL     1       0.431  -2.269  -0.109  1.00  0.00           O  
HETATM   21  P   UNL     1      -0.892  -2.697   0.702  1.00  0.00           P  
HETATM   22  O   UNL     1      -0.613  -2.662   2.155  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.325  -4.188   0.275  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.086  -1.673   0.360  1.00  0.00           O  
HETATM   25  P   UNL     1      -3.468  -1.283   1.089  1.00  0.00           P  
HETATM   26  O   UNL     1      -3.170  -0.248   2.286  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.098  -2.504   1.638  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.462  -0.599   0.023  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.808  -0.234   0.336  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.836   1.106   0.831  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.317   2.076  -0.082  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.370   3.442   0.552  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.889   3.586   1.633  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.839   4.498  -0.084  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.670  -0.329  -0.926  1.00  0.00           C  
HETATM   36  O   UNL     1      -8.026  -0.017  -0.602  1.00  0.00           O  
HETATM   37  C   UNL     1      -6.149   0.666  -1.966  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.992   0.637  -3.120  1.00  0.00           O  
HETATM   39  C   UNL     1      -6.159   2.073  -1.360  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.607   3.000  -2.297  1.00  0.00           O  
HETATM   41  H   UNL     1       9.597   2.682  -1.980  1.00  0.00           H  
HETATM   42  H   UNL     1       8.799   1.391  -2.701  1.00  0.00           H  
HETATM   43  H   UNL     1       8.769   3.631  -0.009  1.00  0.00           H  
HETATM   44  H   UNL     1       3.380   0.512   1.729  1.00  0.00           H  
HETATM   45  H   UNL     1       4.535  -0.431  -1.748  1.00  0.00           H  
HETATM   46  H   UNL     1       5.242  -2.039   0.770  1.00  0.00           H  
HETATM   47  H   UNL     1       6.801  -2.938  -0.800  1.00  0.00           H  
HETATM   48  H   UNL     1       3.989  -3.851  -0.050  1.00  0.00           H  
HETATM   49  H   UNL     1       5.279  -3.998  -2.080  1.00  0.00           H  
HETATM   50  H   UNL     1       2.366  -2.262  -1.885  1.00  0.00           H  
HETATM   51  H   UNL     1       1.594  -3.975  -0.195  1.00  0.00           H  
HETATM   52  H   UNL     1       2.013  -2.824   1.097  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.524  -4.285  -0.667  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.756   0.577   1.998  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.200  -0.910   1.096  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.284   1.828  -0.326  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.897   5.354   0.362  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.615  -1.341  -1.329  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.419  -0.606   0.056  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.132   0.398  -2.251  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.038  -0.227  -3.551  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.183   2.360  -1.123  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.577   3.912  -1.977  1.00  0.00           H  
CONECT    1    2   41   42                                            
CONECT    2    1    3    4    4                                       
CONECT    3    2    7   43                                            
CONECT    4    2    2    5                                            
CONECT    5    4    6    6   11                                       
CONECT    6    5    5    7    9                                       
CONECT    7    3    6    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   10                                            
CONECT   10    9    9   11   44                                       
CONECT   11    5   10   12                                            
CONECT   12   11   13   18   45                                       
CONECT   13   12   14   15   46                                       
CONECT   14   13   47                                                 
CONECT   15   13   16   17   48                                       
CONECT   16   15   49                                                 
CONECT   17   15   18   19   50                                       
CONECT   18   12   17                                                 
CONECT   19   17   20   51   52                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21   53                                                 
CONECT   24   21   25                                                 
CONECT   25   24   26   27   27                                       
CONECT   25   28                                                      
CONECT   26   25   54                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29                                                 
CONECT   29   28   30   35   55                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   39   56                                       
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   57                                                 
CONECT   35   29   36   37   58                                       
CONECT   36   35   59                                                 
CONECT   37   35   38   39   60                                       
CONECT   38   37   61                                                 
CONECT   39   31   37   40   62                                       
CONECT   40   39   63                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44   10                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   23                                                      
CONECT   54   26                                                      
CONECT   55   29                                                      
CONECT   56   31                                                      
CONECT   57   34                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
CONECT   60   37                                                      
CONECT   61   38                                                      
CONECT   62   39                                                      
CONECT   63   40                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
