COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.037   1.959  -0.257  1.00  0.00           C  
HETATM    2  N   UNL     1       1.405   0.508   0.800  1.00  0.00           N  
HETATM    3  OXT UNL     1       2.124   2.743  -0.366  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.349   0.671   2.503  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.211  -0.017   1.528  1.00  0.00           N  
HETATM    6  O   UNL     1       0.789   0.743  -1.292  1.00  0.00           O  
HETATM    7  C   UNL     1       1.108   0.305   2.215  1.00  0.00           C  
HETATM    8  CA  UNL     1      -1.013   0.551   0.188  1.00  0.00           C  
HETATM    9  C   UNL     1       0.454   0.606  -0.135  1.00  0.00           C  
HETATM   10  CB  UNL     1      -1.728  -0.322  -0.845  1.00  0.00           C  
HETATM   11  CG  UNL     1      -3.215  -0.269  -0.604  1.00  0.00           C  
HETATM   12  CD2 UNL     1      -3.810  -1.181   0.247  1.00  0.00           C  
HETATM   13  CE2 UNL     1      -5.174  -1.132   0.468  1.00  0.00           C  
HETATM   14  CZ  UNL     1      -5.942  -0.171  -0.162  1.00  0.00           C  
HETATM   15  CE1 UNL     1      -5.347   0.742  -1.013  1.00  0.00           C  
HETATM   16  CD1 UNL     1      -3.982   0.696  -1.229  1.00  0.00           C  
HETATM   17  CA  UNL     1       2.806   0.617   0.387  1.00  0.00           C  
HETATM   18  C   UNL     1       3.130  -0.493  -0.615  1.00  0.00           C  
HETATM   19  C   UNL     1       3.015  -1.853   0.076  1.00  0.00           C  
HETATM   20  C   UNL     1       3.339  -2.963  -0.926  1.00  0.00           C  
HETATM   21  C   UNL     1       3.225  -4.324  -0.235  1.00  0.00           C  
HETATM   22  O   UNL     1       4.257   2.282  -0.716  1.00  0.00           O  
HETATM   23  H   UNL     1      -0.481   1.749   2.411  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.615   0.355   3.512  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.036  -1.011   1.529  1.00  0.00           H  
HETATM   26  H   UNL     1       1.276  -0.741   2.473  1.00  0.00           H  
HETATM   27  H   UNL     1       1.764   0.934   2.816  1.00  0.00           H  
HETATM   28  HA  UNL     1      -1.426   1.559   0.157  1.00  0.00           H  
HETATM   29  HB1 UNL     1      -1.509   0.046  -1.847  1.00  0.00           H  
HETATM   30  HB2 UNL     1      -1.382  -1.352  -0.752  1.00  0.00           H  
HETATM   31  HD2 UNL     1      -3.210  -1.932   0.739  1.00  0.00           H  
HETATM   32  HE2 UNL     1      -5.640  -1.846   1.132  1.00  0.00           H  
HETATM   33  HZ  UNL     1      -7.008  -0.133   0.009  1.00  0.00           H  
HETATM   34  HE1 UNL     1      -5.947   1.492  -1.505  1.00  0.00           H  
HETATM   35  HD1 UNL     1      -3.516   1.411  -1.891  1.00  0.00           H  
HETATM   36  HA  UNL     1       3.451   0.517   1.261  1.00  0.00           H  
HETATM   37  H   UNL     1       2.427  -0.448  -1.447  1.00  0.00           H  
HETATM   38  H   UNL     1       4.145  -0.360  -0.989  1.00  0.00           H  
HETATM   39  H   UNL     1       3.718  -1.899   0.908  1.00  0.00           H  
HETATM   40  H   UNL     1       2.000  -1.987   0.451  1.00  0.00           H  
HETATM   41  H   UNL     1       2.636  -2.918  -1.758  1.00  0.00           H  
HETATM   42  H   UNL     1       4.354  -2.830  -1.300  1.00  0.00           H  
HETATM   43  H   UNL     1       3.928  -4.369   0.597  1.00  0.00           H  
HETATM   44  H   UNL     1       2.210  -4.457   0.139  1.00  0.00           H  
HETATM   45  H   UNL     1       3.455  -5.114  -0.949  1.00  0.00           H  
HETATM   46  H   UNL     1       4.357   3.154  -1.122  1.00  0.00           H  
CONECT    1   17   22    3    3                                       
CONECT    2    9    7   17                                            
CONECT    3    1    1                                                 
CONECT    4    5   23   24    7                                       
CONECT    5    4    8   25                                            
CONECT    6    9    9                                                 
CONECT    7    2    4   26   27                                       
CONECT    8    5   10   28    9                                       
CONECT    9    2    6    6    8                                       
CONECT   10    8   29   30   11                                       
CONECT   11   10   16   12   12                                       
CONECT   12   11   11   31   13                                       
CONECT   13   12   14   14   32                                       
CONECT   14   13   13   15   33                                       
CONECT   15   14   16   16   34                                       
CONECT   16   11   15   15   35                                       
CONECT   17    1    2   18   36                                       
CONECT   18   17   37   38   19                                       
CONECT   19   18   20   39   40                                       
CONECT   20   19   21   41   42                                       
CONECT   21   20   43   44   45                                       
CONECT   22    1   46                                                 
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
