COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.031   5.033   0.699  1.00  0.00           C  
HETATM    2  C   UNL     1       0.422   3.685   0.409  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.437   2.325   0.397  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.710   1.262  -0.104  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.379  -0.061  -0.372  1.00  0.00           C  
HETATM    6  C   UNL     1       0.645   1.425  -0.350  1.00  0.00           C  
HETATM    7  C   UNL     1       1.474   0.288  -0.889  1.00  0.00           C  
HETATM    8  CA  UNL     1       2.843  -1.607  -0.260  1.00  0.00           C  
HETATM    9  C   UNL     1       4.244  -1.125  -0.534  1.00  0.00           C  
HETATM   10  C   UNL     1       4.711  -1.130  -1.758  1.00  0.00           C  
HETATM   11  C   UNL     1       2.881  -2.694   0.783  1.00  0.00           C  
HETATM   12  C   UNL     1       1.219   2.664  -0.087  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.862   3.487   0.635  1.00  0.00           N  
HETATM   14  N   UNL     1       2.027  -0.488   0.229  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.764   0.028  -0.032  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.364  -2.388   0.813  1.00  0.00           O  
HETATM   17  O   UNL     1      -5.280  -0.711   0.157  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.746  -1.702  -1.586  1.00  0.00           O  
HETATM   19  OXT UNL     1       3.572  -3.821   0.553  1.00  0.00           O  
HETATM   20  O   UNL     1       2.289  -2.551   1.827  1.00  0.00           O  
HETATM   21  O   UNL     1       2.543   2.871  -0.313  1.00  0.00           O  
HETATM   22  P   UNL     1      -3.788  -1.204  -0.193  1.00  0.00           P  
HETATM   23  H   UNL     1       1.393   5.055   1.727  1.00  0.00           H  
HETATM   24  H   UNL     1       1.862   5.210   0.017  1.00  0.00           H  
HETATM   25  H   UNL     1       0.277   5.809   0.563  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.492   2.202   0.595  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.280  -0.311  -1.429  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.906  -0.837   0.231  1.00  0.00           H  
HETATM   29  H   UNL     1       0.848  -0.358  -1.505  1.00  0.00           H  
HETATM   30  H   UNL     1       2.289   0.687  -1.493  1.00  0.00           H  
HETATM   31  HA  UNL     1       2.408  -2.000  -1.178  1.00  0.00           H  
HETATM   32  H   UNL     1       4.864  -0.775   0.278  1.00  0.00           H  
HETATM   33  H   UNL     1       5.715  -0.785  -1.955  1.00  0.00           H  
HETATM   34  H   UNL     1       4.091  -1.480  -2.571  1.00  0.00           H  
HETATM   35  H   UNL     1       1.294  -0.815   0.840  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.369  -2.133   1.745  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.951  -1.404   0.081  1.00  0.00           H  
HETATM   38  HXT UNL     1       3.568  -4.490   1.252  1.00  0.00           H  
HETATM   39  H   UNL     1       2.745   3.191  -1.203  1.00  0.00           H  
CONECT    1    2   23   24   25                                       
CONECT    2   12    1   13   13                                       
CONECT    3    4    4   13   26                                       
CONECT    4    6    5    3    3                                       
CONECT    5   15    4   27   28                                       
CONECT    6    7   12   12    4                                       
CONECT    7   14    6   29   30                                       
CONECT    8   11    9   14   31                                       
CONECT    9   10   10    8   32                                       
CONECT   10    9    9   33   34                                       
CONECT   11   20   20    8   19                                       
CONECT   12   21    6    6    2                                       
CONECT   13    2    2    3                                            
CONECT   14    8    7   35                                            
CONECT   15   22    5                                                 
CONECT   16   22   36                                                 
CONECT   17   22   37                                                 
CONECT   18   22   22                                                 
CONECT   19   11   38                                                 
CONECT   20   11   11                                                 
CONECT   21   12   39                                                 
CONECT   22   18   18   16   15                                       
CONECT   22   17                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
