COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.707   1.110   1.298  1.00  0.00           N  
HETATM    2  CA  UNL     1      -1.537   1.539   0.502  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.871   0.263  -0.045  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.985   2.418  -0.637  1.00  0.00           C  
HETATM    5  OXT UNL     1      -1.101   3.214  -1.259  1.00  0.00           O  
HETATM    6  O   UNL     1      -3.140   2.405  -0.992  1.00  0.00           O  
HETATM    7  C   UNL     1       3.103  -0.119   1.504  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.108  -0.211   0.750  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.751  -0.902   0.463  1.00  0.00           C  
HETATM   10  C   UNL     1       4.036  -0.231  -0.802  1.00  0.00           C  
HETATM   11  C   UNL     1       2.030  -0.002   2.364  1.00  0.00           C  
HETATM   12  C   UNL     1       2.892  -0.111   0.124  1.00  0.00           C  
HETATM   13  O   UNL     1       5.287  -0.349  -0.315  1.00  0.00           O  
HETATM   14  O   UNL     1       3.850  -0.223  -2.002  1.00  0.00           O  
HETATM   15  C   UNL     1       0.531   0.132   0.494  1.00  0.00           C  
HETATM   16  C   UNL     1       0.747   0.124   1.860  1.00  0.00           C  
HETATM   17  C   UNL     1       1.594   0.010  -0.377  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.907  -1.974  -0.618  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.676  -3.166  -0.046  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.832  -4.238  -1.126  1.00  0.00           C  
HETATM   21  H   UNL     1      -3.461   1.777   1.221  1.00  0.00           H  
HETATM   22  HA  UNL     1      -0.835   2.082   1.135  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.858   0.280  -1.135  1.00  0.00           H  
HETATM   24  HXT UNL     1      -1.435   3.760  -1.984  1.00  0.00           H  
HETATM   25  H   UNL     1       4.104  -0.213   1.898  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.679  -0.776   1.486  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.682  -0.088  -0.169  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.336  -1.330   1.375  1.00  0.00           H  
HETATM   29  H   UNL     1       2.191  -0.008   3.431  1.00  0.00           H  
HETATM   30  H   UNL     1       6.004  -0.425  -0.960  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.089   0.215   2.538  1.00  0.00           H  
HETATM   32  H   UNL     1       1.424   0.017  -1.443  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.456  -1.560  -1.464  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.922  -2.302  -0.949  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.128  -3.580   0.800  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.662  -2.838   0.286  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.381  -3.824  -1.972  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.847  -4.567  -1.457  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.381  -5.088  -0.719  1.00  0.00           H  
CONECT    1    8    2   21                                            
CONECT    2    3    4    1   22                                       
CONECT    3   15    9    2   23                                       
CONECT    4    6    6    2    5                                       
CONECT    5    4   24                                                 
CONECT    6    4    4                                                 
CONECT    7   11   12   12   25                                       
CONECT    8    9    1   26   27                                       
CONECT    9   18    3    8   28                                       
CONECT   10   12   14   14   13                                       
CONECT   11   16   16    7   29                                       
CONECT   12    7    7   17   10                                       
CONECT   13   10   30                                                 
CONECT   14   10   10                                                 
CONECT   15   16    3   17   17                                       
CONECT   16   11   11   15   31                                       
CONECT   17   15   15   12   32                                       
CONECT   18   19    9   33   34                                       
CONECT   19   20   18   35   36                                       
CONECT   20   19   37   38   39                                       
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    7                                                      
CONECT   26    8                                                      
CONECT   27    8                                                      
CONECT   28    9                                                      
CONECT   29   11                                                      
CONECT   30   13                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
