COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.123  -0.160   0.635  1.00  0.00           C  
HETATM    2  C   UNL     1       8.979  -0.569  -0.580  1.00  0.00           C  
HETATM    3  C   UNL     1       8.383  -1.927  -1.025  1.00  0.00           C  
HETATM    4  C   UNL     1       6.864  -1.722  -0.806  1.00  0.00           C  
HETATM    5  C   UNL     1       6.777  -0.893   0.492  1.00  0.00           C  
HETATM    6  C   UNL     1       5.636   0.121   0.391  1.00  0.00           C  
HETATM    7  C   UNL     1       4.297  -0.619   0.374  1.00  0.00           C  
HETATM    8  N   UNL     1       3.204   0.352   0.278  1.00  0.00           N  
HETATM    9  C   UNL     1       1.925  -0.073   0.247  1.00  0.00           C  
HETATM   10  O   UNL     1       1.679  -1.262   0.299  1.00  0.00           O  
HETATM   11  C   UNL     1       0.822   0.906   0.150  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.500   0.469   0.123  1.00  0.00           C  
HETATM   13  C   UNL     1       1.104   2.273   0.089  1.00  0.00           C  
HETATM   14  C   UNL     1       0.075   3.190  -0.001  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.238   2.763  -0.033  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.354   3.770  -0.132  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.533   1.398   0.032  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.940   0.943   0.003  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.834   1.744  -0.188  1.00  0.00           O  
HETATM   20  N   UNL     1      -3.230  -0.360   0.189  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.551  -0.808   0.063  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.419  -0.201  -0.844  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.714  -0.676  -0.934  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.106  -1.737  -0.124  1.00  0.00           C  
HETATM   25  N   UNL     1      -8.408  -2.223  -0.208  1.00  0.00           N  
HETATM   26  N   UNL     1      -6.255  -2.289   0.726  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.010  -1.864   0.835  1.00  0.00           C  
HETATM   28  H   UNL     1       8.616  -0.462   1.559  1.00  0.00           H  
HETATM   29  H   UNL     1       7.962   0.919   0.634  1.00  0.00           H  
HETATM   30  H   UNL     1       8.887   0.168  -1.378  1.00  0.00           H  
HETATM   31  H   UNL     1      10.023  -0.687  -0.289  1.00  0.00           H  
HETATM   32  H   UNL     1       8.600  -2.119  -2.076  1.00  0.00           H  
HETATM   33  H   UNL     1       8.758  -2.737  -0.399  1.00  0.00           H  
HETATM   34  H   UNL     1       6.429  -1.171  -1.640  1.00  0.00           H  
HETATM   35  H   UNL     1       6.364  -2.682  -0.680  1.00  0.00           H  
HETATM   36  H   UNL     1       6.618  -1.551   1.346  1.00  0.00           H  
HETATM   37  H   UNL     1       5.670   0.792   1.249  1.00  0.00           H  
HETATM   38  H   UNL     1       5.743   0.699  -0.527  1.00  0.00           H  
HETATM   39  H   UNL     1       4.263  -1.290  -0.484  1.00  0.00           H  
HETATM   40  H   UNL     1       4.189  -1.197   1.292  1.00  0.00           H  
HETATM   41  H   UNL     1       3.400   1.301   0.236  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.723  -0.587   0.174  1.00  0.00           H  
HETATM   43  H   UNL     1       2.128   2.614   0.114  1.00  0.00           H  
HETATM   44  H   UNL     1       0.297   4.246  -0.047  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.661   3.871  -1.173  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.202   3.433   0.465  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.008   4.734   0.240  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.523  -0.988   0.409  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.088   0.621  -1.460  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.413  -0.229  -1.626  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.036  -1.822  -0.829  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.687  -2.962   0.355  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.343  -2.343   1.536  1.00  0.00           H  
CONECT    1    2    5   28   29                                       
CONECT    2    1    3   30   31                                       
CONECT    3    2    4   32   33                                       
CONECT    4    3    5   34   35                                       
CONECT    5    1    4    6   36                                       
CONECT    6    5    7   37   38                                       
CONECT    7    6    8   39   40                                       
CONECT    8    7    9   41                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   13   13   12                                       
CONECT   12   11   17   17   42                                       
CONECT   13   11   11   14   43                                       
CONECT   14   13   15   15   44                                       
CONECT   15   14   14   17   16                                       
CONECT   16   15   45   46   47                                       
CONECT   17   12   12   15   18                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   48                                            
CONECT   21   20   27   27   22                                       
CONECT   22   21   23   23   49                                       
CONECT   23   22   22   24   50                                       
CONECT   24   23   26   26   25                                       
CONECT   25   24   51   52                                            
CONECT   26   24   24   27                                            
CONECT   27   21   21   26   53                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
