COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  OXT UNL     1       6.693  -2.957  -0.185  1.00  0.00           O  
HETATM    2  C   UNL     1       6.957  -1.644  -0.274  1.00  0.00           C  
HETATM    3  O   UNL     1       7.879  -1.258  -0.953  1.00  0.00           O  
HETATM    4  CA  UNL     1       6.104  -0.651   0.472  1.00  0.00           C  
HETATM    5  N   UNL     1       6.837   0.614   0.616  1.00  0.00           N  
HETATM    6  C   UNL     1       4.810  -0.404  -0.305  1.00  0.00           C  
HETATM    7  C   UNL     1       3.890   0.506   0.512  1.00  0.00           C  
HETATM    8  N   UNL     1       2.647   0.743  -0.235  1.00  0.00           N  
HETATM    9  C   UNL     1       1.738   1.615   0.520  1.00  0.00           C  
HETATM   10  C   UNL     1       0.457   1.839  -0.287  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.267   0.603  -0.406  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.458   2.837   0.447  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.697   3.988  -0.366  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.772   2.052   0.674  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.910   2.883   0.439  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.672   0.935  -0.397  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.475  -0.227  -0.007  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.047  -1.292   0.728  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.021  -2.141   0.887  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.131  -1.676   0.267  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.796  -0.439  -0.309  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.725   0.235  -0.979  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.945  -0.245  -1.101  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.308  -1.401  -0.574  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.445  -2.148   0.106  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.835  -3.357   0.655  1.00  0.00           N  
HETATM   27  HXT UNL     1       7.267  -3.555  -0.682  1.00  0.00           H  
HETATM   28  HA  UNL     1       5.865  -1.047   1.459  1.00  0.00           H  
HETATM   29  H1  UNL     1       7.664   0.490   1.181  1.00  0.00           H  
HETATM   30  H2  UNL     1       7.070   1.002  -0.286  1.00  0.00           H  
HETATM   31  H   UNL     1       5.043   0.074  -1.256  1.00  0.00           H  
HETATM   32  H   UNL     1       4.309  -1.355  -0.489  1.00  0.00           H  
HETATM   33  H   UNL     1       3.657   0.028   1.463  1.00  0.00           H  
HETATM   34  H   UNL     1       4.390   1.457   0.695  1.00  0.00           H  
HETATM   35  H   UNL     1       2.841   1.127  -1.148  1.00  0.00           H  
HETATM   36  H   UNL     1       1.490   1.145   1.472  1.00  0.00           H  
HETATM   37  H   UNL     1       2.223   2.574   0.704  1.00  0.00           H  
HETATM   38  H   UNL     1       0.706   2.219  -1.278  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.016   3.130   1.400  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.268   4.650   0.047  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.804   1.627   1.677  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.967   3.648   1.027  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.985   1.309  -1.372  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.048  -1.414   1.119  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.676   0.327  -1.652  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.198  -3.889   1.159  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.744  -3.673   0.537  1.00  0.00           H  
CONECT    1    2   27                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    6   28                                       
CONECT    5    4   29   30                                            
CONECT    6    4    7   31   32                                       
CONECT    7    6    8   33   34                                       
CONECT    8    7    9   35                                            
CONECT    9    8   10   36   37                                       
CONECT   10    9   12   11   38                                       
CONECT   11   10   16                                                 
CONECT   12   10   13   14   39                                       
CONECT   13   12   40                                                 
CONECT   14   12   15   16   41                                       
CONECT   15   14   42                                                 
CONECT   16   14   11   17   43                                       
CONECT   17   16   18   21                                            
CONECT   18   17   19   19   44                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   25   25                                       
CONECT   21   17   22   22   20                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   24   45                                       
CONECT   24   23   23   25                                            
CONECT   25   20   20   24   26                                       
CONECT   26   25   46   47                                            
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   23                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
