COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.606   1.862   0.525  1.00  0.00           C  
HETATM    2  C   UNL     1       3.005   2.325   0.114  1.00  0.00           C  
HETATM    3  C   UNL     1       1.699   0.490   1.196  1.00  0.00           C  
HETATM    4  C   UNL     1       1.517  -0.606   0.144  1.00  0.00           C  
HETATM    5  C   UNL     1       2.715  -0.604  -0.807  1.00  0.00           C  
HETATM    6  C   UNL     1       3.941  -1.081  -0.071  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.335  -0.542   0.083  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.432  -0.119   1.395  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.500  -0.522   2.174  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.378  -1.766   0.326  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.346   1.333  -1.166  1.00  0.00           C  
HETATM   12  OXT UNL     1      -3.425   1.704  -1.872  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.517   2.155  -0.853  1.00  0.00           O  
HETATM   14  CA  UNL     1      -2.167  -0.108  -0.765  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.306  -1.368  -0.451  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.472  -1.348   1.640  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.927  -0.251   0.003  1.00  0.00           N  
HETATM   18  C   UNL     1       0.255  -0.347  -0.638  1.00  0.00           C  
HETATM   19  O   UNL     1       0.303  -0.224  -1.843  1.00  0.00           O  
HETATM   20  C   UNL     1       1.003   2.870   1.505  1.00  0.00           C  
HETATM   21  O   UNL     1       2.451  -1.476  -1.907  1.00  0.00           O  
HETATM   22  O   UNL     1       4.357  -2.206  -0.250  1.00  0.00           O  
HETATM   23  N   UNL     1       4.576  -0.256   0.786  1.00  0.00           N  
HETATM   24  O   UNL     1       5.812  -0.645   1.358  1.00  0.00           O  
HETATM   25  H   UNL     1       0.973   1.792  -0.359  1.00  0.00           H  
HETATM   26  H   UNL     1       2.940   3.307  -0.354  1.00  0.00           H  
HETATM   27  H   UNL     1       3.642   2.385   0.997  1.00  0.00           H  
HETATM   28  H   UNL     1       3.431   1.613  -0.593  1.00  0.00           H  
HETATM   29  H   UNL     1       2.676   0.382   1.668  1.00  0.00           H  
HETATM   30  H   UNL     1       0.919   0.402   1.952  1.00  0.00           H  
HETATM   31  H   UNL     1       1.446  -1.575   0.638  1.00  0.00           H  
HETATM   32  H   UNL     1       2.884   0.407  -1.177  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.673   0.526   1.812  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.576  -0.192   3.200  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.137  -2.412  -0.091  1.00  0.00           H  
HETATM   36  HXT UNL     1      -3.497   2.639  -2.107  1.00  0.00           H  
HETATM   37  HA  UNL     1      -2.115  -0.731  -1.658  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.229  -1.702  -1.475  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.306  -1.664   2.249  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.957  -0.277   0.972  1.00  0.00           H  
HETATM   41  H   UNL     1       1.636   2.940   2.390  1.00  0.00           H  
HETATM   42  H   UNL     1       0.936   3.847   1.027  1.00  0.00           H  
HETATM   43  H   UNL     1       0.006   2.540   1.798  1.00  0.00           H  
HETATM   44  H   UNL     1       2.291  -2.395  -1.651  1.00  0.00           H  
HETATM   45  H   UNL     1       4.186   0.603   1.011  1.00  0.00           H  
HETATM   46  H   UNL     1       6.190   0.011   1.959  1.00  0.00           H  
CONECT    1    2   20    3   25                                       
CONECT    2    1   26   27   28                                       
CONECT    3    1    4   29   30                                       
CONECT    4    5    3   18   31                                       
CONECT    5    6   21    4   32                                       
CONECT    6   22   22   23    5                                       
CONECT    7    8    8   15   14                                       
CONECT    8    9    7    7   33                                       
CONECT    9   16   16    8   34                                       
CONECT   10   16   15   15   35                                       
CONECT   11   14   13   13   12                                       
CONECT   12   11   36                                                 
CONECT   13   11   11                                                 
CONECT   14    7   17   11   37                                       
CONECT   15   10   10    7   38                                       
CONECT   16    9    9   10   39                                       
CONECT   17   14   18   40                                            
CONECT   18   17    4   19   19                                       
CONECT   19   18   18                                                 
CONECT   20    1   41   42   43                                       
CONECT   21    5   44                                                 
CONECT   22    6    6                                                 
CONECT   23   24    6   45                                            
CONECT   24   23   46                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
