COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.671   3.030  -1.255  1.00  0.00           O  
HETATM    2  C   UNL     1       3.369   2.638  -0.173  1.00  0.00           C  
HETATM    3  OXT UNL     1       4.236   3.355   0.282  1.00  0.00           O  
HETATM    4  CA  UNL     1       3.078   1.326   0.465  1.00  0.00           C  
HETATM    5  N   UNL     1       2.076   0.610   0.060  1.00  0.00           N  
HETATM    6  C   UNL     1       3.934   0.823   1.564  1.00  0.00           C  
HETATM    7  C   UNL     1       5.082   1.413   1.881  1.00  0.00           C  
HETATM    8  C   UNL     1       3.434  -0.400   2.311  1.00  0.00           C  
HETATM    9  O   UNL     1       2.835  -1.263   1.331  1.00  0.00           O  
HETATM   10  C   UNL     1       1.729  -0.677   0.651  1.00  0.00           C  
HETATM   11  C   UNL     1       1.268  -1.626  -0.457  1.00  0.00           C  
HETATM   12  C   UNL     1       0.821  -2.930   0.152  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.252  -2.961   0.957  1.00  0.00           O  
HETATM   14  O   UNL     1       1.429  -3.947  -0.084  1.00  0.00           O  
HETATM   15  O   UNL     1       2.349  -1.867  -1.359  1.00  0.00           O  
HETATM   16  C   UNL     1       1.986  -2.629  -2.512  1.00  0.00           C  
HETATM   17  N   UNL     1       0.151  -1.019  -1.186  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.986  -0.702  -0.534  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.084  -0.919   0.655  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.135  -0.078  -1.284  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.688   1.226  -1.893  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.551   1.962  -2.611  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.553   1.609  -1.735  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.276   0.176  -0.333  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.502  -0.424  -0.550  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.092   1.005   0.759  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.136   1.239   1.633  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.370   0.643   1.414  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.398   0.872   2.272  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.550  -0.192   0.321  1.00  0.00           C  
HETATM   31  H   UNL     1       2.896   3.891  -1.635  1.00  0.00           H  
HETATM   32  H   UNL     1       5.380   2.321   1.377  1.00  0.00           H  
HETATM   33  H   UNL     1       5.717   0.986   2.643  1.00  0.00           H  
HETATM   34  H   UNL     1       4.268  -0.908   2.795  1.00  0.00           H  
HETATM   35  H   UNL     1       2.693  -0.107   3.054  1.00  0.00           H  
HETATM   36  H   UNL     1       0.912  -0.534   1.357  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.500  -3.821   1.324  1.00  0.00           H  
HETATM   38  H   UNL     1       1.525  -3.565  -2.198  1.00  0.00           H  
HETATM   39  H   UNL     1       1.279  -2.060  -3.116  1.00  0.00           H  
HETATM   40  H   UNL     1       2.878  -2.843  -3.101  1.00  0.00           H  
HETATM   41  H   UNL     1       0.229  -0.846  -2.137  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.464  -0.754  -2.073  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.219   2.790  -2.982  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.642  -1.073  -1.401  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.132   1.469   0.929  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.993   1.886   2.486  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.946   1.633   2.035  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.508  -0.661   0.151  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5    6                                       
CONECT    5    4    4   10                                            
CONECT    6    4    7    7    8                                       
CONECT    7    6    6   32   33                                       
CONECT    8    6    9   34   35                                       
CONECT    9    8   10                                                 
CONECT   10    5    9   11   36                                       
CONECT   11   10   12   15   17                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   37                                                 
CONECT   14   12   12                                                 
CONECT   15   11   16                                                 
CONECT   16   15   38   39   40                                       
CONECT   17   11   18   41                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   24   42                                       
CONECT   21   20   22   23   23                                       
CONECT   22   21   43                                                 
CONECT   23   21   21                                                 
CONECT   24   20   25   26   26                                       
CONECT   25   24   30   30   44                                       
CONECT   26   24   24   27   45                                       
CONECT   27   26   28   28   46                                       
CONECT   28   27   27   29   30                                       
CONECT   29   28   47                                                 
CONECT   30   25   25   28   48                                       
CONECT   31    1                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
