COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.367   4.286  -0.497  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.996   0.906  -0.260  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.175   0.062   0.324  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.683  -1.276  -1.008  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.732  -0.275  -0.954  1.00  0.00           C  
HETATM    6  O   UNL     1       4.933   1.980  -1.613  1.00  0.00           O  
HETATM    7  C   UNL     1       5.088   0.594  -1.300  1.00  0.00           C  
HETATM    8  C   UNL     1       4.289   0.264  -0.038  1.00  0.00           C  
HETATM    9  O   UNL     1       2.894   0.439  -0.298  1.00  0.00           O  
HETATM   10  C   UNL     1       2.054   0.180   0.829  1.00  0.00           C  
HETATM   11  O   UNL     1       0.690   0.409   0.469  1.00  0.00           O  
HETATM   12  C   UNL     1       0.342   1.683   0.152  1.00  0.00           C  
HETATM   13  C   UNL     1       1.289   2.694   0.195  1.00  0.00           C  
HETATM   14  C   UNL     1       0.934   3.989  -0.133  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.323   3.290  -0.534  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.975   1.981  -0.210  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.219   1.076   0.380  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.477   0.234   1.002  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.399  -0.747   0.947  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.715   1.259   1.608  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.899  -1.116  -0.375  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.396  -2.526  -1.746  1.00  0.00           N1+
HETATM   23  O   UNL     1      -3.232  -3.411  -1.794  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.324  -2.671  -2.305  1.00  0.00           O1-
HETATM   25  C   UNL     1       2.228  -1.276   1.270  1.00  0.00           C  
HETATM   26  O   UNL     1       1.433  -1.522   2.431  1.00  0.00           O  
HETATM   27  C   UNL     1       3.703  -1.530   1.596  1.00  0.00           C  
HETATM   28  O   UNL     1       3.887  -2.905   1.938  1.00  0.00           O  
HETATM   29  C   UNL     1       4.552  -1.189   0.368  1.00  0.00           C  
HETATM   30  O   UNL     1       4.201  -2.057  -0.711  1.00  0.00           O  
HETATM   31  H   UNL     1      -0.637   5.301  -0.748  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.783  -0.407  -1.451  1.00  0.00           H  
HETATM   33  H   UNL     1       5.413   2.261  -2.404  1.00  0.00           H  
HETATM   34  H   UNL     1       4.721  -0.009  -2.131  1.00  0.00           H  
HETATM   35  H   UNL     1       6.142   0.376  -1.130  1.00  0.00           H  
HETATM   36  H   UNL     1       4.594   0.928   0.770  1.00  0.00           H  
HETATM   37  H   UNL     1       2.330   0.843   1.649  1.00  0.00           H  
HETATM   38  H   UNL     1       2.307   2.468   0.475  1.00  0.00           H  
HETATM   39  H   UNL     1       1.677   4.773  -0.106  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.339   3.526  -0.814  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.427   1.988   0.919  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.235  -0.589   1.406  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.638  -1.902  -0.419  1.00  0.00           H  
HETATM   44  H   UNL     1       1.912  -1.940   0.465  1.00  0.00           H  
HETATM   45  H   UNL     1       0.486  -1.375   2.298  1.00  0.00           H  
HETATM   46  H   UNL     1       4.004  -0.902   2.435  1.00  0.00           H  
HETATM   47  H   UNL     1       3.372  -3.192   2.704  1.00  0.00           H  
HETATM   48  H   UNL     1       5.608  -1.314   0.609  1.00  0.00           H  
HETATM   49  H   UNL     1       4.343  -2.995  -0.524  1.00  0.00           H  
CONECT    1   14   14   15   31                                       
CONECT    2   16    5    5   17                                       
CONECT    3   17   17   21   18                                       
CONECT    4    5   22   21   21                                       
CONECT    5    2    2    4   32                                       
CONECT    6    7   33                                                 
CONECT    7    8    6   34   35                                       
CONECT    8    7    9   29   36                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   25   37                                       
CONECT   11   12   10                                                 
CONECT   12   13   13   16   11                                       
CONECT   13   14   12   12   38                                       
CONECT   14    1    1   13   39                                       
CONECT   15    1   16   16   40                                       
CONECT   16   15   15   12    2                                       
CONECT   17    2    3    3   41                                       
CONECT   18    3   20   20   19                                       
CONECT   19   18   42                                                 
CONECT   20   18   18                                                 
CONECT   21    4    4    3   43                                       
CONECT   22   24    4   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22                                                      
CONECT   25   10   27   26   44                                       
CONECT   26   25   45                                                 
CONECT   27   29   25   28   46                                       
CONECT   28   27   47                                                 
CONECT   29    8   27   30   48                                       
CONECT   30   29   49                                                 
CONECT   31    1                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   21                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
