COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.845  -0.756  -3.269  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.041  -0.284  -4.049  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.400  -0.082  -5.331  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.516   0.440  -6.206  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.832   0.619  -7.368  1.00  0.00           O  
HETATM    6  N   UNL     1       0.190   0.039  -3.616  1.00  0.00           N  
HETATM    7  N   UNL     1       1.138   0.583  -4.490  1.00  0.00           N  
HETATM    8  C   UNL     1       0.828   0.788  -5.741  1.00  0.00           C  
HETATM    9  C   UNL     1       0.530  -0.177  -2.275  1.00  0.00           C  
HETATM   10  C   UNL     1       1.298   0.757  -1.593  1.00  0.00           C  
HETATM   11  C   UNL     1       1.632   0.543  -0.271  1.00  0.00           C  
HETATM   12  C   UNL     1       2.465   1.558   0.468  1.00  0.00           C  
HETATM   13  C   UNL     1       0.099  -1.327  -1.626  1.00  0.00           C  
HETATM   14  C   UNL     1       0.439  -1.543  -0.306  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.028  -2.790   0.398  1.00  0.00           C  
HETATM   16  C   UNL     1       1.202  -0.605   0.376  1.00  0.00           C  
HETATM   17  O   UNL     1       1.532  -0.816   1.677  1.00  0.00           O  
HETATM   18  C   UNL     1       0.544  -0.260   2.428  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.528   0.365   1.810  1.00  0.00           C  
HETATM   20  C   UNL     1       0.609  -0.319   3.813  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.394   0.245   4.575  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.324   0.181   6.079  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.298  -1.281   6.527  1.00  0.00           C  
HETATM   24  C   UNL     1       0.946   0.884   6.561  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.469   0.865   3.957  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.531   0.929   2.573  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.457   1.421   4.708  1.00  0.00           O  
HETATM   28  H   UNL     1      -2.294  -0.317  -5.626  1.00  0.00           H  
HETATM   29  H   UNL     1       1.551   1.208  -6.423  1.00  0.00           H  
HETATM   30  H   UNL     1       1.633   1.652  -2.097  1.00  0.00           H  
HETATM   31  H   UNL     1       3.521   1.316   0.351  1.00  0.00           H  
HETATM   32  H   UNL     1       2.273   2.551   0.062  1.00  0.00           H  
HETATM   33  H   UNL     1       2.204   1.541   1.526  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.497  -2.055  -2.156  1.00  0.00           H  
HETATM   35  H   UNL     1       0.712  -3.580   0.268  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.154  -2.582   1.460  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.979  -3.112  -0.025  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.578   0.412   0.732  1.00  0.00           H  
HETATM   39  H   UNL     1       1.444  -0.806   4.294  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.197   0.675   6.505  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.247  -1.328   7.615  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.203  -1.783   6.184  1.00  0.00           H  
HETATM   43  H   UNL     1       0.574  -1.776   6.101  1.00  0.00           H  
HETATM   44  H   UNL     1       1.819   0.389   6.135  1.00  0.00           H  
HETATM   45  H   UNL     1       0.927   1.926   6.242  1.00  0.00           H  
HETATM   46  H   UNL     1       0.996   0.838   7.649  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.366   1.417   2.092  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.123   0.733   4.846  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    4   28                                            
CONECT    4    3    5    5    8                                       
CONECT    5    4    4                                                 
CONECT    6    2    7    9                                            
CONECT    7    6    8    8                                            
CONECT    8    4    7    7   29                                       
CONECT    9    6   10   10   13                                       
CONECT   10    9    9   11   30                                       
CONECT   11   10   12   16   16                                       
CONECT   12   11   31   32   33                                       
CONECT   13    9   14   14   34                                       
CONECT   14   13   13   15   16                                       
CONECT   15   14   35   36   37                                       
CONECT   16   11   11   14   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   26   38                                       
CONECT   20   18   21   21   39                                       
CONECT   21   20   20   22   25                                       
CONECT   22   21   23   24   40                                       
CONECT   23   22   41   42   43                                       
CONECT   24   22   44   45   46                                       
CONECT   25   21   26   26   27                                       
CONECT   26   19   25   25   47                                       
CONECT   27   25   48                                                 
CONECT   28    3                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
