COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.488  -3.156   0.268  1.00  0.00           C  
HETATM    2  O   UNL     1       4.216  -2.968  -0.357  1.00  0.00           O  
HETATM    3  C   UNL     1       3.588  -1.783  -0.134  1.00  0.00           C  
HETATM    4  C   UNL     1       2.356  -1.539  -0.710  1.00  0.00           C  
HETATM    5  C   UNL     1       4.186  -0.825   0.677  1.00  0.00           C  
HETATM    6  C   UNL     1       3.559   0.381   0.912  1.00  0.00           C  
HETATM    7  C   UNL     1       2.323   0.646   0.338  1.00  0.00           C  
HETATM    8  C   UNL     1       1.710  -0.321  -0.480  1.00  0.00           C  
HETATM    9  C   UNL     1       0.397  -0.057  -1.102  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.201  -0.985  -1.893  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.192   1.131  -0.862  1.00  0.00           C  
HETATM   12  C   UNL     1       0.473   2.061  -0.026  1.00  0.00           C  
HETATM   13  N   UNL     1       1.682   1.856   0.567  1.00  0.00           N  
HETATM   14  C   UNL     1       1.941   2.989   1.269  1.00  0.00           C  
HETATM   15  N   UNL     1       0.941   3.838   1.126  1.00  0.00           N  
HETATM   16  C   UNL     1       0.019   3.319   0.342  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.320   3.790  -0.168  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.182   2.555  -0.465  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.521   1.574  -1.413  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.388   0.403  -1.597  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.717  -0.217  -0.307  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.619  -1.431  -0.539  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.947  -2.051   0.752  1.00  0.00           N1+
HETATM   24  C   UNL     1      -4.713  -3.283   0.522  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.707  -2.372   1.470  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.747  -1.121   1.550  1.00  0.00           O  
HETATM   27  H   UNL     1       5.375  -3.084   1.349  1.00  0.00           H  
HETATM   28  H   UNL     1       5.878  -4.140   0.008  1.00  0.00           H  
HETATM   29  H   UNL     1       6.180  -2.388  -0.078  1.00  0.00           H  
HETATM   30  H   UNL     1       1.893  -2.288  -1.336  1.00  0.00           H  
HETATM   31  H   UNL     1       5.147  -1.026   1.127  1.00  0.00           H  
HETATM   32  H   UNL     1       4.030   1.120   1.544  1.00  0.00           H  
HETATM   33  H   UNL     1       0.309  -1.800  -1.997  1.00  0.00           H  
HETATM   34  H   UNL     1       2.828   3.165   1.861  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.806   4.404   0.590  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.183   4.370  -1.080  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.381   2.031   0.470  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.129   2.882  -0.892  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.369   2.064  -2.375  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.226   0.649  -2.104  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.799  -0.536   0.187  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.235   0.506   0.322  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.537  -1.112  -1.033  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.100  -2.154  -1.168  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.117  -3.976  -0.072  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.957  -3.743   1.480  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.633  -3.045  -0.011  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.138  -1.457   1.641  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.950  -2.832   2.428  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.111  -3.065   0.876  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.000  -1.465   2.418  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    5    5                                       
CONECT    4    3    8    8   30                                       
CONECT    5    3    3    6   31                                       
CONECT    6    5    7    7   32                                       
CONECT    7    6    6    8   13                                       
CONECT    8    7    4    4    9                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   33                                                 
CONECT   11    9    9   19   12                                       
CONECT   12   11   13   16   16                                       
CONECT   13    7   12   14                                            
CONECT   14   15   15   13   34                                       
CONECT   15   14   14   16                                            
CONECT   16   15   12   12   17                                       
CONECT   17   16   18   35   36                                       
CONECT   18   17   19   37   38                                       
CONECT   19   11   18   20   39                                       
CONECT   20   19   21   40                                            
CONECT   21   20   22   41   42                                       
CONECT   22   23   21   43   44                                       
CONECT   23   22   26   25   24                                       
CONECT   24   23   45   46   47                                       
CONECT   25   23   48   49   50                                       
CONECT   26   23   51                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33   10                                                      
CONECT   34   14                                                      
CONECT   35   17                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
