COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       8.544   2.278  -0.230  1.00  0.00           N  
HETATM    2  C   UNL     1       7.563   1.713  -0.135  1.00  0.00           C  
HETATM    3  C   UNL     1       6.326   1.001  -0.015  1.00  0.00           C  
HETATM    4  C   UNL     1       6.252  -0.342  -0.398  1.00  0.00           C  
HETATM    5  C   UNL     1       5.069  -1.025  -0.277  1.00  0.00           C  
HETATM    6  C   UNL     1       5.193   1.646   0.490  1.00  0.00           C  
HETATM    7  C   UNL     1       4.010   0.964   0.605  1.00  0.00           C  
HETATM    8  C   UNL     1       3.938  -0.379   0.227  1.00  0.00           C  
HETATM    9  C   UNL     1       2.663  -1.116   0.357  1.00  0.00           C  
HETATM   10  N   UNL     1       2.504  -2.373   0.863  1.00  0.00           N  
HETATM   11  N   UNL     1       1.143  -2.693   0.805  1.00  0.00           N  
HETATM   12  C   UNL     1       0.493  -1.669   0.283  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.862  -1.201  -0.105  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.106  -1.826  -0.018  1.00  0.00           C  
HETATM   15  C   UNL     1       1.429  -0.662  -0.002  1.00  0.00           C  
HETATM   16  C   UNL     1       0.674   0.500  -0.598  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.777   0.084  -0.633  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.913   0.735  -1.068  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.145   0.115  -0.980  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.242  -1.167  -0.456  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.454  -1.775  -0.372  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.482  -3.094   0.178  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.384   0.830  -1.455  1.00  0.00           C  
HETATM   24  N   UNL     1      -5.029   1.495  -0.320  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.793   2.753   0.111  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.555   2.991   1.143  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.297   1.905   1.406  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.987   0.960   0.498  1.00  0.00           C  
HETATM   29  H   UNL     1       7.127  -0.841  -0.788  1.00  0.00           H  
HETATM   30  H   UNL     1       5.012  -2.062  -0.573  1.00  0.00           H  
HETATM   31  H   UNL     1       5.251   2.682   0.790  1.00  0.00           H  
HETATM   32  H   UNL     1       3.135   1.462   0.996  1.00  0.00           H  
HETATM   33  H   UNL     1       3.211  -2.945   1.203  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.183  -2.823   0.390  1.00  0.00           H  
HETATM   35  H   UNL     1       0.794   1.385   0.027  1.00  0.00           H  
HETATM   36  H   UNL     1       1.032   0.703  -1.607  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.839   1.732  -1.477  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.864  -3.754  -0.431  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.095  -3.071   1.197  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.508  -3.462   0.187  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.109   1.574  -2.204  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.074   0.110  -1.894  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.090   3.447  -0.325  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.021   1.808   2.201  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.408  -0.032   0.432  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3    4    4    6    2                                       
CONECT    4    5    3    3   29                                       
CONECT    5    8    8    4   30                                       
CONECT    6    7    7    3   31                                       
CONECT    7    8    6    6   32                                       
CONECT    8    9    5    5    7                                       
CONECT    9   10   15   15    8                                       
CONECT   10   11    9   33                                            
CONECT   11   12   12   10                                            
CONECT   12   11   11   13   15                                       
CONECT   13   14   12   17   17                                       
CONECT   14   20   20   13   34                                       
CONECT   15   12    9    9   16                                       
CONECT   16   17   15   35   36                                       
CONECT   17   13   13   18   16                                       
CONECT   18   19   19   17   37                                       
CONECT   19   20   23   18   18                                       
CONECT   20   21   14   14   19                                       
CONECT   21   22   20                                                 
CONECT   22   21   38   39   40                                       
CONECT   23   24   19   41   42                                       
CONECT   24   28   25   23                                            
CONECT   25   26   26   24   43                                       
CONECT   26   27   25   25                                            
CONECT   27   28   28   26   44                                       
CONECT   28   27   27   24   45                                       
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   25                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
