COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.560   0.333   0.362  1.00  0.00           C  
HETATM    2  C   UNL     1       2.578   2.190  -0.167  1.00  0.00           C  
HETATM    3  C   UNL     1       2.155   3.348  -0.804  1.00  0.00           C  
HETATM    4  C   UNL     1       3.076   4.310  -1.168  1.00  0.00           C  
HETATM    5  C   UNL     1       4.420   4.119  -0.900  1.00  0.00           C  
HETATM    6  C   UNL     1       5.952  -5.061  -0.545  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.995  -1.626  -1.855  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.988  -3.125  -1.550  1.00  0.00           C  
HETATM    9  N   UNL     1      -6.277   0.386   1.055  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.832  -0.142  -0.025  1.00  0.00           C  
HETATM   11  N   UNL     1      -8.202  -0.029  -0.203  1.00  0.00           N  
HETATM   12  N   UNL     1      -6.114  -0.774  -0.940  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.801  -0.903  -0.806  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.178  -0.367   0.308  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.967   0.296   1.257  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.388   0.850   2.389  1.00  0.00           N  
HETATM   17  O   UNL     1      -2.833  -0.481   0.477  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.027   0.612   0.032  1.00  0.00           C  
HETATM   19  C   UNL     1       0.302   1.503  -0.115  1.00  0.00           C  
HETATM   20  O   UNL     1       1.673   1.242   0.193  1.00  0.00           O  
HETATM   21  C   UNL     1       3.926   1.999   0.097  1.00  0.00           C  
HETATM   22  C   UNL     1       4.843   2.967  -0.265  1.00  0.00           C  
HETATM   23  C   UNL     1       4.389   0.739   0.783  1.00  0.00           C  
HETATM   24  C   UNL     1       4.587  -0.365  -0.257  1.00  0.00           C  
HETATM   25  C   UNL     1       5.050  -1.624   0.429  1.00  0.00           C  
HETATM   26  O   UNL     1       5.206  -1.637   1.627  1.00  0.00           O  
HETATM   27  O   UNL     1       5.289  -2.732  -0.291  1.00  0.00           O  
HETATM   28  C   UNL     1       5.733  -3.908   0.436  1.00  0.00           C  
HETATM   29  H   UNL     1      -0.446   0.213   1.439  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.242  -0.581  -0.141  1.00  0.00           H  
HETATM   31  H   UNL     1       1.106   3.497  -1.014  1.00  0.00           H  
HETATM   32  H   UNL     1       2.748   5.211  -1.664  1.00  0.00           H  
HETATM   33  H   UNL     1       5.139   4.872  -1.186  1.00  0.00           H  
HETATM   34  H   UNL     1       5.018  -5.283  -1.059  1.00  0.00           H  
HETATM   35  H   UNL     1       6.711  -4.778  -1.275  1.00  0.00           H  
HETATM   36  H   UNL     1       6.286  -5.944   0.001  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.972  -1.249  -1.851  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.440  -1.457  -2.836  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.368  -3.642  -2.282  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.585  -3.290  -0.551  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.007  -3.510  -1.599  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.741   0.432   0.459  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.622  -0.411  -0.990  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.941   1.308   3.042  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.431   0.780   2.529  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.345   1.526   0.534  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.141   0.732  -1.046  1.00  0.00           H  
HETATM   48  H   UNL     1       0.189   1.622  -1.193  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.015   2.417   0.387  1.00  0.00           H  
HETATM   50  H   UNL     1       5.893   2.820  -0.057  1.00  0.00           H  
HETATM   51  H   UNL     1       5.333   0.930   1.294  1.00  0.00           H  
HETATM   52  H   UNL     1       3.640   0.425   1.509  1.00  0.00           H  
HETATM   53  H   UNL     1       3.643  -0.556  -0.768  1.00  0.00           H  
HETATM   54  H   UNL     1       5.336  -0.050  -0.984  1.00  0.00           H  
HETATM   55  H   UNL     1       4.975  -4.191   1.166  1.00  0.00           H  
HETATM   56  H   UNL     1       6.668  -3.685   0.951  1.00  0.00           H  
CONECT    1   18   19   29   30                                       
CONECT    2   20    3   21   21                                       
CONECT    3    4    4    2   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4   22   22   33                                       
CONECT    6   28   34   35   36                                       
CONECT    7   13    8   37   38                                       
CONECT    8    7   39   40   41                                       
CONECT    9   10   10   15                                            
CONECT   10    9    9   11   12                                       
CONECT   11   10   42   43                                            
CONECT   12   10   13   13                                            
CONECT   13   12   12   14    7                                       
CONECT   14   15   15   17   13                                       
CONECT   15   16   14   14    9                                       
CONECT   16   15   44   45                                            
CONECT   17   14   18                                                 
CONECT   18   17    1   46   47                                       
CONECT   19    1   20   48   49                                       
CONECT   20   19    2                                                 
CONECT   21    2    2   22   23                                       
CONECT   22   21    5    5   50                                       
CONECT   23   21   24   51   52                                       
CONECT   24   23   25   53   54                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28                                                 
CONECT   28   27    6   55   56                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
