COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.812   3.106   0.019  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.866   3.308   1.209  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.273   1.786  -0.543  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.161   1.138  -1.243  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.752   0.886   0.598  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.897   1.477   1.207  1.00  0.00           O  
HETATM    7  C   UNL     1      -3.505   0.651   2.212  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.948  -0.623   1.516  1.00  0.00           C  
HETATM    9  CA  UNL     1      -3.044  -1.159   0.472  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.279  -2.510  -0.104  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.045  -0.439   0.065  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.090  -1.228   1.828  1.00  0.00           C  
HETATM   13  C   UNL     1       0.968   0.831  -0.575  1.00  0.00           C  
HETATM   14  O   UNL     1       1.064   1.091   0.606  1.00  0.00           O  
HETATM   15  C   UNL     1       2.112   0.165  -1.295  1.00  0.00           C  
HETATM   16  C   UNL     1       3.246  -0.068  -0.329  1.00  0.00           C  
HETATM   17  C   UNL     1       4.481   0.507  -0.563  1.00  0.00           C  
HETATM   18  C   UNL     1       5.522   0.295   0.320  1.00  0.00           C  
HETATM   19  C   UNL     1       5.326  -0.497   1.442  1.00  0.00           C  
HETATM   20  O   UNL     1       6.348  -0.707   2.313  1.00  0.00           O  
HETATM   21  C   UNL     1       4.086  -1.073   1.675  1.00  0.00           C  
HETATM   22  C   UNL     1       3.047  -0.853   0.791  1.00  0.00           C  
HETATM   23  C   UNL     1       1.651  -1.155  -1.857  1.00  0.00           C  
HETATM   24  O   UNL     1       0.511  -1.518  -1.690  1.00  0.00           O  
HETATM   25  O   UNL     1       2.507  -1.928  -2.543  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.348   2.007  -1.458  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.001   2.831  -2.574  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.146  -3.224   0.357  1.00  0.00           O  
HETATM   29  OXT UNL     1      -2.532  -2.941  -1.137  1.00  0.00           O  
HETATM   30  H   UNL     1      -0.238   0.931  -2.187  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.958   0.801   1.340  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.781   0.417   2.992  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.367   1.161   2.643  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.764  -0.776   2.541  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.344  -2.172   1.369  1.00  0.00           H  
HETATM   36  H   UNL     1       2.453   0.807  -2.107  1.00  0.00           H  
HETATM   37  H   UNL     1       4.632   1.123  -1.437  1.00  0.00           H  
HETATM   38  H   UNL     1       6.486   0.744   0.136  1.00  0.00           H  
HETATM   39  H   UNL     1       6.399  -0.055   3.025  1.00  0.00           H  
HETATM   40  H   UNL     1       3.932  -1.690   2.548  1.00  0.00           H  
HETATM   41  H   UNL     1       2.081  -1.301   0.972  1.00  0.00           H  
HETATM   42  H   UNL     1       2.166  -2.766  -2.884  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.595   3.776  -2.215  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.254   2.322  -3.183  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.891   3.022  -3.174  1.00  0.00           H  
HETATM   46  HXT UNL     1      -2.722  -3.826  -1.477  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.438   3.874  -0.642  1.00  0.00           H  
CONECT    1    2    2    3   47                                       
CONECT    2    1    1                                                 
CONECT    3    5    1   26    4                                       
CONECT    4    3   13   30                                            
CONECT    5   11    6    3   31                                       
CONECT    6    7    5                                                 
CONECT    7    8    6   32   33                                       
CONECT    8   12   12    9    7                                       
CONECT    9   10    8   11   11                                       
CONECT   10   28   28   29    9                                       
CONECT   11    9    9    5                                            
CONECT   12    8    8   34   35                                       
CONECT   13    4   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   23   36                                       
CONECT   16   17   17   22   15                                       
CONECT   17   18   16   16   37                                       
CONECT   18   19   19   17   38                                       
CONECT   19   20   18   18   21                                       
CONECT   20   19   39                                                 
CONECT   21   19   22   22   40                                       
CONECT   22   21   21   16   41                                       
CONECT   23   15   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   42                                                 
CONECT   26    3   27                                                 
CONECT   27   26   43   44   45                                       
CONECT   28   10   10                                                 
CONECT   29   10   46                                                 
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   25                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   29                                                      
CONECT   47    1                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
