COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.417  -0.988   0.051  1.00  0.00           C  
HETATM    2  C   UNL     1       4.338   0.451   0.468  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.206  -0.770  -1.163  1.00  0.00           C  
HETATM    4  C   UNL     1       3.941   1.283   1.690  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.229   1.410  -0.911  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.617  -0.550  -1.218  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.972  -1.849  -0.543  1.00  0.00           C  
HETATM    8  C   UNL     1       0.268  -4.659   0.966  1.00  0.00           C  
HETATM    9  C   UNL     1       5.268   1.253  -0.405  1.00  0.00           C  
HETATM   10  N   UNL     1       0.864  -2.766  -0.511  1.00  0.00           N  
HETATM   11  N   UNL     1       3.137   0.098  -0.293  1.00  0.00           N  
HETATM   12  C   UNL     1       0.598  -3.206   0.734  1.00  0.00           C  
HETATM   13  C   UNL     1       0.011  -0.486  -0.281  1.00  0.00           C  
HETATM   14  C   UNL     1       1.185  -1.355  -0.736  1.00  0.00           C  
HETATM   15  O   UNL     1       0.623  -2.434   1.669  1.00  0.00           O  
HETATM   16  O   UNL     1       2.762  -1.673   0.990  1.00  0.00           O  
HETATM   17  N   UNL     1       6.444   1.691   0.087  1.00  0.00           N  
HETATM   18  O   UNL     1      -5.128  -2.465  -0.837  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.366  -0.029  -0.650  1.00  0.00           N  
HETATM   20  O   UNL     1      -3.216  -2.338   0.264  1.00  0.00           O  
HETATM   21  O   UNL     1       4.959   1.505  -1.550  1.00  0.00           O  
HETATM   22  O   UNL     1       7.319   2.445  -0.733  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.065   2.607   1.122  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.302   2.161  -0.165  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.522   2.404  -0.767  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.506   3.092  -0.083  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.270   3.538   1.204  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.050   3.294   1.807  1.00  0.00           C  
HETATM   29  H   UNL     1       4.841  -0.458   0.796  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.996  -0.454  -2.185  1.00  0.00           H  
HETATM   31  H   UNL     1       3.268   0.702   2.321  1.00  0.00           H  
HETATM   32  H   UNL     1       4.835   1.546   2.256  1.00  0.00           H  
HETATM   33  H   UNL     1       3.438   2.192   1.362  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.249   1.748  -0.576  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.332   1.597  -1.980  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.488  -0.719  -2.287  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.417   0.173  -1.058  1.00  0.00           H  
HETATM   38  H   UNL     1       0.083  -4.824   2.028  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.623  -4.924   0.397  1.00  0.00           H  
HETATM   40  H   UNL     1       1.104  -5.278   0.641  1.00  0.00           H  
HETATM   41  H   UNL     1       0.843  -3.384  -1.259  1.00  0.00           H  
HETATM   42  H   UNL     1       2.861   0.646  -1.044  1.00  0.00           H  
HETATM   43  H   UNL     1       0.283   0.566  -0.365  1.00  0.00           H  
HETATM   44  H   UNL     1       1.369  -1.189  -1.798  1.00  0.00           H  
HETATM   45  H   UNL     1       6.692   1.490   1.003  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.312  -3.296  -0.378  1.00  0.00           H  
HETATM   47  H   UNL     1       8.137   2.714  -0.293  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.114   2.413   1.594  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.706   2.056  -1.773  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.459   3.283  -0.554  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.038   4.076   1.739  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.867   3.639   2.814  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.423  -1.838  -1.150  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.230  -0.717   0.757  1.00  0.00           H  
CONECT    1   11   14   16   16                                       
CONECT    2    4   11    9   29                                       
CONECT    3   13   19   30   53                                       
CONECT    4    2   31   32   33                                       
CONECT    5   19   24   34   35                                       
CONECT    6    7   19   36   37                                       
CONECT    7   20   20   18    6                                       
CONECT    8   12   38   39   40                                       
CONECT    9    2   21   21   17                                       
CONECT   10   12   14   41                                            
CONECT   11    1    2   42                                            
CONECT   12    8   15   15   10                                       
CONECT   13   14    3   43   54                                       
CONECT   14   10    1   13   44                                       
CONECT   15   12   12                                                 
CONECT   16    1    1                                                 
CONECT   17    9   22   45                                            
CONECT   18    7   46                                                 
CONECT   19    6    3    5                                            
CONECT   20    7    7                                                 
CONECT   21    9    9                                                 
CONECT   22   17   47                                                 
CONECT   23   24   24   28   48                                       
CONECT   24    5   23   23   25                                       
CONECT   25   24   26   26   49                                       
CONECT   26   25   25   27   50                                       
CONECT   27   28   28   26   51                                       
CONECT   28   23   27   27   52                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53    3                                                      
CONECT   54   13                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
