COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.459   0.497  -0.660  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.404  -0.611  -2.465  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.111  -1.706  -1.674  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.170  -1.599  -0.667  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.121   0.375   1.851  1.00  0.00           C  
HETATM    6  C   UNL     1       0.831   2.574   0.082  1.00  0.00           C  
HETATM    7  C   UNL     1       1.888   3.340  -0.358  1.00  0.00           C  
HETATM    8  C   UNL     1       3.115   2.754  -0.627  1.00  0.00           C  
HETATM    9  C   UNL     1       2.678  -0.816   0.085  1.00  0.00           C  
HETATM   10  C   UNL     1       2.025  -1.979   0.469  1.00  0.00           C  
HETATM   11  C   UNL     1       2.702  -3.189   0.465  1.00  0.00           C  
HETATM   12  C   UNL     1       3.290   1.385  -0.456  1.00  0.00           C  
HETATM   13  C   UNL     1       4.027  -3.248   0.080  1.00  0.00           C  
HETATM   14  C   UNL     1       4.694  -2.096  -0.307  1.00  0.00           C  
HETATM   15  C   UNL     1       4.027  -0.877  -0.307  1.00  0.00           C  
HETATM   16  C   UNL     1       2.221   0.593  -0.009  1.00  0.00           C  
HETATM   17  C   UNL     1       0.985   1.194   0.261  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.151   0.376   0.733  1.00  0.00           C  
HETATM   19  CA  UNL     1      -2.496  -0.281   0.647  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.522  -0.397  -0.451  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.814   0.698  -1.242  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.756   0.591  -2.249  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.369   0.530   0.178  1.00  0.00           N  
HETATM   24  O   UNL     1       5.560   0.830  -1.047  1.00  0.00           O  
HETATM   25  OXT UNL     1      -4.176  -0.195   2.453  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.671   1.413   2.275  1.00  0.00           O  
HETATM   27  O   UNL     1       0.014  -0.436   1.623  1.00  0.00           O  
HETATM   28  H   UNL     1      -6.136  -0.695  -3.254  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.618  -2.645  -1.842  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.942  -2.454  -0.048  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.122   3.040   0.289  1.00  0.00           H  
HETATM   32  H   UNL     1       1.760   4.403  -0.495  1.00  0.00           H  
HETATM   33  H   UNL     1       3.938   3.363  -0.972  1.00  0.00           H  
HETATM   34  H   UNL     1       0.989  -1.941   0.772  1.00  0.00           H  
HETATM   35  H   UNL     1       2.190  -4.091   0.765  1.00  0.00           H  
HETATM   36  H   UNL     1       4.546  -4.195   0.081  1.00  0.00           H  
HETATM   37  H   UNL     1       5.730  -2.145  -0.607  1.00  0.00           H  
HETATM   38  HA  UNL     1      -2.139  -1.275   0.918  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.308   1.636  -1.074  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.984   1.446  -2.867  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.501   1.179  -0.531  1.00  0.00           H  
HETATM   42  HXT UNL     1      -4.543   0.262   3.222  1.00  0.00           H  
CONECT    1   15   24   24   12                                       
CONECT    2   22   22    3   28                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3   20   30                                       
CONECT    5   19   26   26   25                                       
CONECT    6   17   17    7   31                                       
CONECT    7    8    8    6   32                                       
CONECT    8   12    7    7   33                                       
CONECT    9   10   10   15   16                                       
CONECT   10   11    9    9   34                                       
CONECT   11   13   13   10   35                                       
CONECT   12    1   16   16    8                                       
CONECT   13   11   11   14   36                                       
CONECT   14   13   15   15   37                                       
CONECT   15   14   14    9    1                                       
CONECT   16    9   12   12   17                                       
CONECT   17   16   18    6    6                                       
CONECT   18   27   27   23   17                                       
CONECT   19   20   23    5   38                                       
CONECT   20   21   21    4   19                                       
CONECT   21   22   20   20   39                                       
CONECT   22    2    2   21   40                                       
CONECT   23   19   18   41                                            
CONECT   24    1    1                                                 
CONECT   25    5   42                                                 
CONECT   26    5    5                                                 
CONECT   27   18   18                                                 
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
