COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.566   1.296   1.297  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.056   2.412   1.913  1.00  0.00           N  
HETATM    3  O   UNL     1      -7.747  -1.757   0.278  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.973  -0.835   0.475  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.386   0.290   1.074  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.557  -0.932   0.059  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.252   1.271   0.951  1.00  0.00           N  
HETATM    8  O   UNL     1      -1.105  -2.014  -1.589  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.715   0.167   0.322  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.442   0.120  -0.034  1.00  0.00           N  
HETATM   11  CA  UNL     1      -2.968  -0.965  -0.637  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.077  -2.013  -0.538  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.807  -2.054  -0.891  1.00  0.00           C  
HETATM   14  C   ACE A   1      -1.541  -1.023  -1.037  1.00  0.00           C  
HETATM   15  N   UNL     1      -0.729   0.023  -0.789  1.00  0.00           N  
HETATM   16  CA  UNL     1       0.681  -0.035  -1.185  1.00  0.00           C  
HETATM   17  C   UNL     1       1.486   0.893  -0.312  1.00  0.00           C  
HETATM   18  O   UNL     1       0.936   1.539   0.555  1.00  0.00           O  
HETATM   19  CB  UNL     1       0.818   0.394  -2.647  1.00  0.00           C  
HETATM   20  O   UNL     1       0.444   1.767  -2.779  1.00  0.00           O  
HETATM   21  N   UNL     1       2.816   1.005  -0.495  1.00  0.00           N  
HETATM   22  CA  UNL     1       3.599   1.907   0.354  1.00  0.00           C  
HETATM   23  C   UNL     1       3.549   3.302  -0.215  1.00  0.00           C  
HETATM   24  O   UNL     1       2.924   3.520  -1.226  1.00  0.00           O  
HETATM   25  CB  UNL     1       5.051   1.429   0.403  1.00  0.00           C  
HETATM   26  CG  UNL     1       5.115   0.086   1.084  1.00  0.00           C  
HETATM   27  CD1 UNL     1       5.369  -0.140   2.383  1.00  0.00           C  
HETATM   28  CD2 UNL     1       4.904  -1.221   0.456  1.00  0.00           C  
HETATM   29  NE1 UNL     1       5.344  -1.484   2.636  1.00  0.00           N  
HETATM   30  CE2 UNL     1       5.056  -2.174   1.480  1.00  0.00           C  
HETATM   31  CE3 UNL     1       4.609  -1.636  -0.844  1.00  0.00           C  
HETATM   32  CZ2 UNL     1       4.911  -3.524   1.181  1.00  0.00           C  
HETATM   33  CZ3 UNL     1       4.471  -2.968  -1.115  1.00  0.00           C  
HETATM   34  CH2 UNL     1       4.621  -3.912  -0.109  1.00  0.00           C  
HETATM   35  OXT UNL     1       4.199   4.302   0.400  1.00  0.00           O  
HETATM   36  H   UNL     1      -7.989   2.451   2.175  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.471   3.165   2.091  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.689   2.038   1.141  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.413  -2.934  -1.378  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.077   0.814  -0.349  1.00  0.00           H  
HETATM   41  HA  UNL     1       1.049  -1.054  -1.069  1.00  0.00           H  
HETATM   42  HB1 UNL     1       1.852   0.266  -2.968  1.00  0.00           H  
HETATM   43  HB2 UNL     1       0.167  -0.221  -3.269  1.00  0.00           H  
HETATM   44  H   UNL     1       0.507   2.107  -3.681  1.00  0.00           H  
HETATM   45  H   UNL     1       3.256   0.489  -1.189  1.00  0.00           H  
HETATM   46  HA  UNL     1       3.183   1.911   1.361  1.00  0.00           H  
HETATM   47  HB1 UNL     1       5.440   1.340  -0.611  1.00  0.00           H  
HETATM   48  HB2 UNL     1       5.652   2.147   0.961  1.00  0.00           H  
HETATM   49  HD1 UNL     1       5.565   0.626   3.118  1.00  0.00           H  
HETATM   50  HE1 UNL     1       5.499  -1.891   3.503  1.00  0.00           H  
HETATM   51  HE3 UNL     1       4.491  -0.907  -1.632  1.00  0.00           H  
HETATM   52  HZ2 UNL     1       5.026  -4.266   1.957  1.00  0.00           H  
HETATM   53  HZ3 UNL     1       4.243  -3.289  -2.121  1.00  0.00           H  
HETATM   54  HH2 UNL     1       4.509  -4.961  -0.339  1.00  0.00           H  
HETATM   55  HXT UNL     1       4.137   5.179  -0.002  1.00  0.00           H  
CONECT    1    5    5    7    2                                       
CONECT    2    1   36   37                                            
CONECT    3    4    4                                                 
CONECT    4    3    3    6    5                                       
CONECT    5    4    1    1                                            
CONECT    6   12    4    9    9                                       
CONECT    7    9    1   38                                            
CONECT    8   14   14                                                 
CONECT    9    6    6   10    7                                       
CONECT   10   11   11    9                                            
CONECT   11   13   14   10   10                                       
CONECT   12   13   13    6                                            
CONECT   13   12   12   11   39                                       
CONECT   14   15   11    8    8                                       
CONECT   15   16   14   40                                            
CONECT   16   19   17   15   41                                       
CONECT   17   18   18   16   21                                       
CONECT   18   17   17                                                 
CONECT   19   20   16   42   43                                       
CONECT   20   19   44                                                 
CONECT   21   17   22   45                                            
CONECT   22   25   21   23   46                                       
CONECT   23   22   24   24   35                                       
CONECT   24   23   23                                                 
CONECT   25   26   22   47   48                                       
CONECT   26   28   27   27   25                                       
CONECT   27   29   26   26   49                                       
CONECT   28   31   31   30   26                                       
CONECT   29   30   27   50                                            
CONECT   30   32   32   28   29                                       
CONECT   31   33   28   28   51                                       
CONECT   32   34   30   30   52                                       
CONECT   33   34   34   31   53                                       
CONECT   34   33   33   32   54                                       
CONECT   35   23   55                                                 
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    7                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   31                                                      
CONECT   52   32                                                      
CONECT   53   33                                                      
CONECT   54   34                                                      
CONECT   55   35                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
