COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       5.480  -1.929   0.134  1.00  0.00           P  
HETATM    2  N   UNL     1      -0.405   1.003   0.477  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.682   1.024   0.053  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.924   1.306  -1.105  1.00  0.00           O  
HETATM    5  N   UNL     1      -2.695   0.739   0.892  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.444   0.425   2.179  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.360   0.166   2.938  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.105   0.398   2.639  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.108   0.689   1.776  1.00  0.00           C  
HETATM   10  C   UNL     1       0.677   1.312  -0.461  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.076   0.770   0.405  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.462  -0.613  -0.124  1.00  0.00           C  
HETATM   13  CA  UNL     1      -5.905  -0.580  -0.633  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.244  -1.906  -1.265  1.00  0.00           C  
HETATM   15  C   UNL     1       1.406   2.614  -0.042  1.00  0.00           C  
HETATM   16  O   UNL     1       0.746   3.763  -0.578  1.00  0.00           O  
HETATM   17  C   UNL     1       2.800   2.427  -0.688  1.00  0.00           C  
HETATM   18  O   UNL     1       2.873   3.122  -1.934  1.00  0.00           O  
HETATM   19  O   UNL     1      -6.877  -2.727  -0.644  1.00  0.00           O  
HETATM   20  OXT UNL     1      -5.844  -2.174  -2.518  1.00  0.00           O  
HETATM   21  C   UNL     1       2.911   0.906  -0.912  1.00  0.00           C  
HETATM   22  O   UNL     1       1.712   0.309  -0.391  1.00  0.00           O  
HETATM   23  N   UNL     1      -6.815  -0.327   0.492  1.00  0.00           N  
HETATM   24  C   UNL     1       4.131   0.358  -0.169  1.00  0.00           C  
HETATM   25  O   UNL     1       4.293  -1.028  -0.476  1.00  0.00           O  
HETATM   26  O   UNL     1       5.455  -1.844   1.611  1.00  0.00           O  
HETATM   27  O   UNL     1       5.279  -3.460  -0.320  1.00  0.00           O  
HETATM   28  H   UNL     1      -0.884   0.149   3.666  1.00  0.00           H  
HETATM   29  H   UNL     1       0.919   0.674   2.108  1.00  0.00           H  
HETATM   30  H   UNL     1       0.290   1.398  -1.476  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.743   1.046   1.222  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.162   1.503  -0.398  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.795  -0.889  -0.941  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.376  -1.346   0.678  1.00  0.00           H  
HETATM   35  HA  UNL     1      -6.011   0.213  -1.372  1.00  0.00           H  
HETATM   36  H   UNL     1       1.485   2.684   1.043  1.00  0.00           H  
HETATM   37  H   UNL     1       1.166   4.602  -0.344  1.00  0.00           H  
HETATM   38  H   UNL     1       3.583   2.773  -0.013  1.00  0.00           H  
HETATM   39  H   UNL     1       2.750   4.079  -1.858  1.00  0.00           H  
HETATM   40  H   UNL     1       2.998   0.694  -1.978  1.00  0.00           H  
HETATM   41  H1  UNL     1      -7.768  -0.236   0.173  1.00  0.00           H  
HETATM   42  H2  UNL     1      -6.735  -1.049   1.192  1.00  0.00           H  
HETATM   43  H   UNL     1       5.022   0.905  -0.479  1.00  0.00           H  
HETATM   44  H   UNL     1       3.987   0.478   0.905  1.00  0.00           H  
HETATM   45  O   UNL     1       6.897  -1.389  -0.410  1.00  0.00           O  
HETATM   46  HXT UNL     1      -6.086  -3.037  -2.880  1.00  0.00           H  
HETATM   47  H   UNL     1       5.960  -4.061   0.013  1.00  0.00           H  
HETATM   48  H   UNL     1       6.984  -1.416  -1.373  1.00  0.00           H  
CONECT    1   25   26   26   27                                       
CONECT    1   45                                                      
CONECT    2    3    9   10                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   11                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9    9   28                                       
CONECT    9    2    8    8   29                                       
CONECT   10    2   15   22   30                                       
CONECT   11    5   12   31   32                                       
CONECT   12   11   13   33   34                                       
CONECT   13   12   14   23   35                                       
CONECT   14   13   19   19   20                                       
CONECT   15   10   16   17   36                                       
CONECT   16   15   37                                                 
CONECT   17   15   18   21   38                                       
CONECT   18   17   39                                                 
CONECT   19   14   14                                                 
CONECT   20   14   46                                                 
CONECT   21   17   22   24   40                                       
CONECT   22   10   21                                                 
CONECT   23   13   41   42                                            
CONECT   24   21   25   43   44                                       
CONECT   25    1   24                                                 
CONECT   26    1    1                                                 
CONECT   27    1   47                                                 
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45    1   48                                                 
CONECT   46   20                                                      
CONECT   47   27                                                      
CONECT   48   45                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
