COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.406  -2.954   7.728  1.00  0.00           C  
HETATM    2  C   UNL     1      10.548  -3.426   6.821  1.00  0.00           C  
HETATM    3  O   UNL     1       9.234  -2.965   6.925  1.00  0.00           O  
HETATM    4  N   UNL     1       9.262  -2.052   8.008  1.00  0.00           N  
HETATM    5  C   UNL     1      10.488  -2.077   8.413  1.00  0.00           C  
HETATM    6  C   UNL     1      10.883  -4.379   5.753  1.00  0.00           C  
HETATM    7  N   UNL     1       9.851  -4.729   4.911  1.00  0.00           N  
HETATM    8  N   UNL     1      10.341  -5.541   4.080  1.00  0.00           N  
HETATM    9  N   UNL     1      11.637  -5.711   4.433  1.00  0.00           N  
HETATM   10  N   UNL     1      12.002  -4.952   5.478  1.00  0.00           N  
HETATM   11  C   UNL     1      11.764  -6.411   3.195  1.00  0.00           C  
HETATM   12  C   UNL     1      15.871  -6.360   3.730  1.00  0.00           C  
HETATM   13  C   UNL     1      15.289  -5.551   2.828  1.00  0.00           C  
HETATM   14  C   UNL     1      13.910  -5.776   2.431  1.00  0.00           C  
HETATM   15  C   UNL     1      13.196  -6.788   2.969  1.00  0.00           C  
HETATM   16  C   UNL     1      13.842  -7.668   3.943  1.00  0.00           C  
HETATM   17  C   UNL     1      15.121  -7.460   4.306  1.00  0.00           C  
HETATM   18  O   UNL     1      10.924  -1.320   9.429  1.00  0.00           O  
HETATM   19  C   UNL     1      12.624  -3.615   8.273  1.00  0.00           C  
HETATM   20  CA  UNL     1      12.381  -4.590   9.439  1.00  0.00           C  
HETATM   21  C   UNL     1      11.447  -5.717   9.048  1.00  0.00           C  
HETATM   22  O   UNL     1      11.775  -6.794   8.571  1.00  0.00           O  
HETATM   23  OXT UNL     1      10.159  -5.378   9.316  1.00  0.00           O  
HETATM   24  N   UNL     1      13.619  -5.183   9.940  1.00  0.00           N  
HETATM   25  H   UNL     1      11.867  -1.427   9.636  1.00  0.00           H  
HETATM   26  H   UNL     1      11.384  -5.752   2.408  1.00  0.00           H  
HETATM   27  H   UNL     1      11.119  -7.295   3.233  1.00  0.00           H  
HETATM   28  H   UNL     1      16.911  -6.522   3.469  1.00  0.00           H  
HETATM   29  H   UNL     1      16.006  -5.265   2.067  1.00  0.00           H  
HETATM   30  H   UNL     1      13.483  -5.104   1.695  1.00  0.00           H  
HETATM   31  H   UNL     1      13.275  -8.490   4.366  1.00  0.00           H  
HETATM   32  H   UNL     1      15.615  -8.102   5.025  1.00  0.00           H  
HETATM   33  H   UNL     1      13.140  -4.153   7.469  1.00  0.00           H  
HETATM   34  H   UNL     1      13.340  -2.845   8.589  1.00  0.00           H  
HETATM   35  HA  UNL     1      11.920  -4.046  10.273  1.00  0.00           H  
HETATM   36  HXT UNL     1       9.535  -6.097   9.080  1.00  0.00           H  
HETATM   37  H1  UNL     1      13.606  -6.146  10.196  1.00  0.00           H  
HETATM   38  H2  UNL     1      14.361  -4.570  10.197  1.00  0.00           H  
CONECT    1   19    5    2    2                                       
CONECT    2    1    1    6    3                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    5                                            
CONECT    5    1    4    4   18                                       
CONECT    6    2   10   10    7                                       
CONECT    7    6    8    8                                            
CONECT    8    7    7    9                                            
CONECT    9    8   10   11                                            
CONECT   10    6    6    9                                            
CONECT   11    9   15   26   27                                       
CONECT   12   13   13   17   28                                       
CONECT   13   12   12   14   29                                       
CONECT   14   13   15   15   30                                       
CONECT   15   11   14   14   16                                       
CONECT   16   15   17   17   31                                       
CONECT   17   12   16   16   32                                       
CONECT   18    5   25                                                 
CONECT   19    1   20   33   34                                       
CONECT   20   19   21   24   35                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   36                                                 
CONECT   24   20   37   38                                            
CONECT   25   18                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
CONECT   28   12                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
CONECT   38   24                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
