COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.176   1.037   0.059  1.00  0.00           C  
HETATM    2  C   UNL     1       4.668  -2.699  -0.194  1.00  0.00           C  
HETATM    3  N   UNL     1       3.464  -3.032   0.245  1.00  0.00           N1+
HETATM    4  O   UNL     1       3.198  -4.366   0.637  1.00  0.00           O1-
HETATM    5  C   UNL     1       2.510  -2.120   0.317  1.00  0.00           C  
HETATM    6  N   UNL     1       3.980  -0.481  -0.508  1.00  0.00           N  
HETATM    7  O   UNL     1      -4.084  -0.969   2.008  1.00  0.00           O  
HETATM    8  C   UNL     1       2.773  -0.811  -0.068  1.00  0.00           C  
HETATM    9  N   UNL     1       1.766   0.157   0.006  1.00  0.00           N  
HETATM   10  O   UNL     1      -2.153   2.277   0.140  1.00  0.00           O  
HETATM   11  C   UNL     1       4.930  -1.398  -0.578  1.00  0.00           C  
HETATM   12  N   UNL     1       0.506  -0.086  -0.034  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.425   0.083  -0.072  1.00  0.00           N  
HETATM   14  C   UNL     1       0.770   2.087   0.170  1.00  0.00           C  
HETATM   15  C   UNL     1       1.979   1.499   0.134  1.00  0.00           C  
HETATM   16  C   UNL     1       3.080   2.523   0.246  1.00  0.00           C  
HETATM   17  C   UNL     1       2.398   3.896   0.352  1.00  0.00           C  
HETATM   18  C   UNL     1       0.895   3.581   0.308  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.646   1.176   0.045  1.00  0.00           C  
HETATM   20  CA  UNL     1      -3.884   0.221  -0.086  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.502  -0.970  -0.821  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.406   0.259   1.352  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.002  -2.272  -0.194  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.026  -0.902  -0.710  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.095  -0.925  -2.296  1.00  0.00           C  
HETATM   26  C   UNL     1       3.251   3.554  -0.872  1.00  0.00           C  
HETATM   27  H   UNL     1       5.447  -3.444  -0.249  1.00  0.00           H  
HETATM   28  H   UNL     1       1.528  -2.391   0.675  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.386  -1.015   2.926  1.00  0.00           H  
HETATM   30  H   UNL     1       5.915  -1.128  -0.932  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.021  -0.795  -0.147  1.00  0.00           H  
HETATM   32  H   UNL     1       3.941   2.264   0.862  1.00  0.00           H  
HETATM   33  H   UNL     1       2.736   4.652   1.062  1.00  0.00           H  
HETATM   34  H   UNL     1       0.436   4.075  -0.548  1.00  0.00           H  
HETATM   35  H   UNL     1       0.417   3.912   1.230  1.00  0.00           H  
HETATM   36  HA  UNL     1      -4.156   1.145  -0.596  1.00  0.00           H  
HETATM   37  H1  UNL     1      -5.488   0.393   1.342  1.00  0.00           H  
HETATM   38  H2  UNL     1      -3.942   1.089   1.885  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.441  -2.391   0.797  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.293  -3.114  -0.823  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.916  -2.241  -0.108  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.383   0.026  -1.157  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.467  -1.750  -1.235  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.316  -0.934   0.340  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.009  -0.973  -2.375  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.536  -1.773  -2.820  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.452   0.003  -2.743  1.00  0.00           H  
HETATM   48  H   UNL     1       4.222   4.043  -0.960  1.00  0.00           H  
HETATM   49  H   UNL     1       2.731   3.369  -1.811  1.00  0.00           H  
CONECT    1   19   12   12   14                                       
CONECT    2    3   11   11   27                                       
CONECT    3    4    5    5    2                                       
CONECT    4    3                                                      
CONECT    5    3    3    8   28                                       
CONECT    6    8    8   11                                            
CONECT    7   22   29                                                 
CONECT    8    5    9    6    6                                       
CONECT    9   12   15    8                                            
CONECT   10   19   19                                                 
CONECT   11    2    2    6   30                                       
CONECT   12    1    1    9                                            
CONECT   13   20   19   31                                            
CONECT   14    1   18   15   15                                       
CONECT   15   14   14    9   16                                       
CONECT   16   17   15   26   32                                       
CONECT   17   18   16   26   33                                       
CONECT   18   14   17   34   35                                       
CONECT   19   13   10   10    1                                       
CONECT   20   22   21   13   36                                       
CONECT   21   25   24   20   23                                       
CONECT   22    7   20   37   38                                       
CONECT   23   21   39   40   41                                       
CONECT   24   21   42   43   44                                       
CONECT   25   21   45   46   47                                       
CONECT   26   17   16   48   49                                       
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
