COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1       1.954  -1.704  -1.504  1.00  0.00           O  
HETATM    2  C   UNL     1       1.644  -0.728  -0.848  1.00  0.00           C  
HETATM    3  N   UNL     1       2.600   0.050  -0.304  1.00  0.00           N  
HETATM    4  C   UNL     1       4.014  -0.280  -0.503  1.00  0.00           C  
HETATM    5  C   UNL     1       4.885   0.754   0.213  1.00  0.00           C  
HETATM    6  N   UNL     1       6.302   0.424   0.013  1.00  0.00           N  
HETATM    7  C   UNL     1       7.168   1.516   0.480  1.00  0.00           C  
HETATM    8  C   UNL     1       8.630   1.156   0.198  1.00  0.00           C  
HETATM    9  O   UNL     1       8.939  -0.089   0.830  1.00  0.00           O  
HETATM   10  C   UNL     1       8.115  -1.174   0.398  1.00  0.00           C  
HETATM   11  C   UNL     1       6.648  -0.839   0.681  1.00  0.00           C  
HETATM   12  C   UNL     1       0.218  -0.393  -0.651  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.138   0.731   0.098  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.467   1.043   0.281  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.774  -1.196  -1.220  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.102  -0.882  -1.036  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.457   0.237  -0.282  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.886   0.573  -0.085  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.300   1.821  -0.225  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.564   2.176  -0.061  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.945   3.622  -0.241  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.814  -0.440   0.249  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.432  -1.778   0.404  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.370  -2.712   0.727  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.706  -2.357   0.905  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.114  -1.065   0.761  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.174  -0.078   0.430  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.532   1.273   0.267  1.00  0.00           C  
HETATM   29  H   UNL     1       2.353   0.828   0.220  1.00  0.00           H  
HETATM   30  H   UNL     1       4.217  -1.270  -0.097  1.00  0.00           H  
HETATM   31  H   UNL     1       4.242  -0.271  -1.569  1.00  0.00           H  
HETATM   32  H   UNL     1       4.681   1.745  -0.194  1.00  0.00           H  
HETATM   33  H   UNL     1       4.657   0.746   1.279  1.00  0.00           H  
HETATM   34  H   UNL     1       6.912   2.435  -0.047  1.00  0.00           H  
HETATM   35  H   UNL     1       7.029   1.658   1.551  1.00  0.00           H  
HETATM   36  H   UNL     1       8.782   1.066  -0.877  1.00  0.00           H  
HETATM   37  H   UNL     1       9.279   1.937   0.594  1.00  0.00           H  
HETATM   38  H   UNL     1       8.252  -1.332  -0.672  1.00  0.00           H  
HETATM   39  H   UNL     1       8.392  -2.080   0.938  1.00  0.00           H  
HETATM   40  H   UNL     1       6.500  -0.734   1.756  1.00  0.00           H  
HETATM   41  H   UNL     1       6.012  -1.638   0.302  1.00  0.00           H  
HETATM   42  H   UNL     1       0.628   1.355   0.535  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.742   1.912   0.860  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.499  -2.062  -1.803  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.868  -1.503  -1.476  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.215   3.800  -1.282  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.795   3.857   0.400  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.101   4.257   0.029  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.400  -2.068   0.269  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.074  -3.743   0.847  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.429  -3.118   1.160  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.152  -0.803   0.901  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.557   1.589   0.396  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   12    3                                       
CONECT    3    2    4   29                                            
CONECT    4    3    5   30   31                                       
CONECT    5    4    6   32   33                                       
CONECT    6   11    5    7                                            
CONECT    7    6    8   34   35                                       
CONECT    8    9    7   36   37                                       
CONECT    9   10    8                                                 
CONECT   10   11    9   38   39                                       
CONECT   11   10    6   40   41                                       
CONECT   12   13    2   15   15                                       
CONECT   13   14   14   12   42                                       
CONECT   14   13   13   17   43                                       
CONECT   15   12   12   16   44                                       
CONECT   16   17   17   15   45                                       
CONECT   17   14   18   16   16                                       
CONECT   18   19   17   22   22                                       
CONECT   19   20   20   18                                            
CONECT   20   21   19   19   28                                       
CONECT   21   20   46   47   48                                       
CONECT   22   18   18   27   23                                       
CONECT   23   22   24   24   49                                       
CONECT   24   23   23   25   50                                       
CONECT   25   26   26   24   51                                       
CONECT   26   27   25   25   52                                       
CONECT   27   28   28   22   26                                       
CONECT   28   20   27   27   53                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
