COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.327   0.793  -0.358  1.00  0.00           N  
HETATM    2  O   UNL     1       7.447   0.116  -0.897  1.00  0.00           O  
HETATM    3  C   UNL     1       5.088   0.291  -0.531  1.00  0.00           C  
HETATM    4  O   UNL     1       4.933  -0.739  -1.153  1.00  0.00           O  
HETATM    5  C   UNL     1       3.896   1.008   0.047  1.00  0.00           C  
HETATM    6  C   UNL     1       2.621   0.234  -0.291  1.00  0.00           C  
HETATM    7  C   UNL     1       2.651  -1.128   0.406  1.00  0.00           C  
HETATM    8  C   UNL     1       1.420   1.013   0.181  1.00  0.00           C  
HETATM    9  O   UNL     1       1.153   1.380   1.438  1.00  0.00           O  
HETATM   10  N   UNL     1       0.440   1.465  -0.564  1.00  0.00           N  
HETATM   11  N   UNL     1       0.108   1.995   1.474  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.397   2.092   0.280  1.00  0.00           C  
HETATM   13  C   UNL     1       1.438  -1.951  -0.030  1.00  0.00           C  
HETATM   14  C   UNL     1       1.512  -3.363   0.579  1.00  0.00           C  
HETATM   15  C   UNL     1       0.142  -1.307   0.504  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.756  -2.513   0.877  1.00  0.00           C  
HETATM   17  C   UNL     1       0.259  -3.527   1.463  1.00  0.00           C  
HETATM   18  H   UNL     1       6.451   1.617   0.139  1.00  0.00           H  
HETATM   19  H   UNL     1       8.292   0.552  -0.722  1.00  0.00           H  
HETATM   20  H   UNL     1       4.004   1.076   1.130  1.00  0.00           H  
HETATM   21  H   UNL     1       3.835   2.011  -0.375  1.00  0.00           H  
HETATM   22  H   UNL     1       2.559   0.089  -1.369  1.00  0.00           H  
HETATM   23  H   UNL     1       3.565  -1.655   0.133  1.00  0.00           H  
HETATM   24  H   UNL     1       2.623  -0.984   1.486  1.00  0.00           H  
HETATM   25  H   UNL     1       1.511  -4.111  -0.213  1.00  0.00           H  
HETATM   26  H   UNL     1       0.353  -0.702   1.386  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.330  -0.701  -0.269  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.495  -2.228   1.626  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.131  -4.543   1.389  1.00  0.00           H  
HETATM   30  C   UNL     1      -1.683   2.785  -0.090  1.00  0.00           C  
HETATM   31  H   UNL     1       1.402  -2.015  -1.118  1.00  0.00           H  
HETATM   32  H   UNL     1       2.413  -3.461   1.184  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.241  -2.921  -0.010  1.00  0.00           H  
HETATM   34  H   UNL     1       0.489  -3.281   2.500  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.866   3.606   0.603  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.607   3.176  -1.104  1.00  0.00           H  
HETATM   37  C   UNL     1      -3.177   1.070  -1.133  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.224   0.166  -1.067  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.922   0.000   0.127  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.565   0.740   1.242  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.519   1.641   1.169  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.823   1.802  -0.015  1.00  0.00           C  
HETATM   43  H   UNL     1      -2.634   1.201  -2.058  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.104   0.614   2.169  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.243   2.218   2.039  1.00  0.00           H  
HETATM   46  O   UNL     1      -4.761  -0.667  -2.006  1.00  0.00           O  
HETATM   47  O   UNL     1      -5.896  -0.937  -0.064  1.00  0.00           O  
HETATM   48  C   UNL     1      -5.526  -1.638  -1.266  1.00  0.00           C  
HETATM   49  H   UNL     1      -6.413  -1.933  -1.825  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.914  -2.508  -1.029  1.00  0.00           H  
CONECT    1    2    3   18                                            
CONECT    2    1   19                                                 
CONECT    3    1    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    3   20   21                                       
CONECT    6    7    8    5   22                                       
CONECT    7   13    6   23   24                                       
CONECT    8    6   10   10    9                                       
CONECT    9    8   11                                                 
CONECT   10   12    8    8                                            
CONECT   11   12   12    9                                            
CONECT   12   10   11   11   30                                       
CONECT   13   15   14    7   31                                       
CONECT   14   17   13   25   32                                       
CONECT   15   16   13   26   27                                       
CONECT   16   17   15   28   33                                       
CONECT   17   16   14   29   34                                       
CONECT   18    1                                                      
CONECT   19    2                                                      
CONECT   20    5                                                      
CONECT   21    5                                                      
CONECT   22    6                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25   14                                                      
CONECT   26   15                                                      
CONECT   27   15                                                      
CONECT   28   16                                                      
CONECT   29   17                                                      
CONECT   30   35   36   42   12                                       
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   30                                                      
CONECT   36   30                                                      
CONECT   37   42   42   38   43                                       
CONECT   38   37   39   39   46                                       
CONECT   39   38   38   40   47                                       
CONECT   40   39   41   41   44                                       
CONECT   41   40   40   42   45                                       
CONECT   42   30   37   37   41                                       
CONECT   43   37                                                      
CONECT   44   40                                                      
CONECT   45   41                                                      
CONECT   46   38   48                                                 
CONECT   47   39   48                                                 
CONECT   48   46   47   49   50                                       
CONECT   49   48                                                      
CONECT   50   48                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
