COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.104  -0.771  -0.412  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.718  -0.335  -0.333  1.00  0.00           N  
HETATM    3  O   UNL     1      -3.808  -1.715  -1.106  1.00  0.00           O  
HETATM    4  CA  UNL     1      -3.027   0.137   0.125  1.00  0.00           C  
HETATM    5  CB  UNL     1      -3.262   1.561  -0.382  1.00  0.00           C  
HETATM    6  CG  UNL     1      -2.245   2.506   0.262  1.00  0.00           C  
HETATM    7  O   UNL     1       0.587  -3.013   0.583  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.527  -1.708   1.399  1.00  0.00           O  
HETATM    9  N   UNL     1       1.008   0.334  -0.933  1.00  0.00           N  
HETATM   10  C   UNL     1       1.325  -0.804  -0.060  1.00  0.00           C  
HETATM   11  C   UNL     1       0.224  -1.859  -0.176  1.00  0.00           C  
HETATM   12  C   UNL     1       2.663  -1.414  -0.482  1.00  0.00           C  
HETATM   13  C   ACE A   0      -1.070  -1.296   0.354  1.00  0.00           C  
HETATM   14  C   UNL     1       3.767  -0.414  -0.251  1.00  0.00           C  
HETATM   15  C   UNL     1       4.428  -0.383   0.963  1.00  0.00           C  
HETATM   16  C   UNL     1       4.122   0.468  -1.254  1.00  0.00           C  
HETATM   17  C   UNL     1       5.440   0.535   1.175  1.00  0.00           C  
HETATM   18  C   UNL     1       5.134   1.385  -1.042  1.00  0.00           C  
HETATM   19  C   UNL     1       5.792   1.420   0.173  1.00  0.00           C  
HETATM   20  CD1 UNL     1      -2.398   3.905  -0.337  1.00  0.00           C  
HETATM   21  CD2 UNL     1      -2.489   2.567   1.771  1.00  0.00           C  
HETATM   22  OXT UNL     1      -5.392  -0.528  -0.124  1.00  0.00           O  
HETATM   23  H   UNL     1      -1.318   0.045  -1.131  1.00  0.00           H  
HETATM   24  HA  UNL     1      -3.056   0.129   1.214  1.00  0.00           H  
HETATM   25  HB1 UNL     1      -3.146   1.586  -1.465  1.00  0.00           H  
HETATM   26  HB2 UNL     1      -4.271   1.879  -0.117  1.00  0.00           H  
HETATM   27  HG  UNL     1      -1.237   2.137   0.071  1.00  0.00           H  
HETATM   28  H   UNL     1       0.717  -2.839   1.526  1.00  0.00           H  
HETATM   29  H   UNL     1       0.828   0.026  -1.877  1.00  0.00           H  
HETATM   30  H   UNL     1       0.229   0.863  -0.571  1.00  0.00           H  
HETATM   31  H   UNL     1       1.392  -0.461   0.973  1.00  0.00           H  
HETATM   32  H   UNL     1       0.097  -2.137  -1.223  1.00  0.00           H  
HETATM   33  H   UNL     1       2.856  -2.310   0.108  1.00  0.00           H  
HETATM   34  H   UNL     1       2.625  -1.676  -1.539  1.00  0.00           H  
HETATM   35  H   UNL     1       4.153  -1.074   1.746  1.00  0.00           H  
HETATM   36  H   UNL     1       3.609   0.440  -2.204  1.00  0.00           H  
HETATM   37  H   UNL     1       5.956   0.560   2.124  1.00  0.00           H  
HETATM   38  H   UNL     1       5.412   2.073  -1.827  1.00  0.00           H  
HETATM   39  H   UNL     1       6.582   2.137   0.339  1.00  0.00           H  
HETATM   40 HD11 UNL     1      -3.406   4.273  -0.147  1.00  0.00           H  
HETATM   41 HD12 UNL     1      -1.673   4.578   0.121  1.00  0.00           H  
HETATM   42 HD13 UNL     1      -2.224   3.861  -1.413  1.00  0.00           H  
HETATM   43 HD21 UNL     1      -2.380   1.570   2.197  1.00  0.00           H  
HETATM   44 HD22 UNL     1      -1.764   3.240   2.229  1.00  0.00           H  
HETATM   45 HD23 UNL     1      -3.497   2.935   1.961  1.00  0.00           H  
HETATM   46  HXT UNL     1      -6.047  -1.136  -0.494  1.00  0.00           H  
CONECT    1    3    3    4   22                                       
CONECT    2    4   13   23                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   24                                       
CONECT    5    4    6   25   26                                       
CONECT    6    5   20   21   27                                       
CONECT    7   11   28                                                 
CONECT    8   13   13                                                 
CONECT    9   10   29   30                                            
CONECT   10    9   11   12   31                                       
CONECT   11    7   10   13   32                                       
CONECT   12   10   14   33   34                                       
CONECT   13    2    8    8   11                                       
CONECT   14   12   15   15   16                                       
CONECT   15   14   14   17   35                                       
CONECT   16   14   18   18   36                                       
CONECT   17   15   19   19   37                                       
CONECT   18   16   16   19   38                                       
CONECT   19   17   17   18   39                                       
CONECT   20    6   40   41   42                                       
CONECT   21    6   43   44   45                                       
CONECT   22    1   46                                                 
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
