COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       3.649   1.079   0.505  1.00  0.00           C  
HETATM    2  C   UNL     1       1.531   1.291   0.925  1.00  0.00           C  
HETATM    3  C   UNL     1       0.458  -1.923   0.868  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.377  -3.507   0.554  1.00  0.00           O  
HETATM    5  C   UNL     1       5.086   1.355   0.470  1.00  0.00           C  
HETATM    6  OXT UNL     1       5.574   2.464   1.064  1.00  0.00           O  
HETATM    7  O   UNL     1       1.132  -3.097   0.410  1.00  0.00           O  
HETATM    8  C   UNL     1       0.595  -0.782  -0.165  1.00  0.00           C  
HETATM    9  C   UNL     1       3.720  -0.960  -2.041  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.064  -2.172   0.958  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.670  -1.152  -0.031  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.987  -0.598   0.517  1.00  0.00           C  
HETATM   13  C   UNL     1       3.004  -0.023  -0.057  1.00  0.00           C  
HETATM   14  N   UNL     1       2.694   1.845   1.094  1.00  0.00           N  
HETATM   15  N   UNL     1       1.672   0.131   0.224  1.00  0.00           N  
HETATM   16  N   UNL     1       3.580  -1.042  -0.744  1.00  0.00           N  
HETATM   17  N   UNL     1       3.288   0.150  -2.704  1.00  0.00           N  
HETATM   18  O   UNL     1      -3.589   0.253  -0.460  1.00  0.00           O  
HETATM   19  O   UNL     1      -4.824   2.081   0.970  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.426   1.771  -1.571  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.028   0.021   0.146  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.678  -0.101  -0.132  1.00  0.00           O  
HETATM   23  O   UNL     1       5.840   0.585  -0.093  1.00  0.00           O  
HETATM   24  P   UNL     1      -4.990   1.010  -0.221  1.00  0.00           P  
HETATM   25  H   UNL     1       0.595   1.686   1.291  1.00  0.00           H  
HETATM   26  H   UNL     1       0.852  -1.611   1.836  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.971  -4.190   1.106  1.00  0.00           H  
HETATM   28  HXT UNL     1       6.533   2.561   0.989  1.00  0.00           H  
HETATM   29  H   UNL     1       1.054  -3.853   1.007  1.00  0.00           H  
HETATM   30  H   UNL     1       0.784  -1.190  -1.158  1.00  0.00           H  
HETATM   31  H   UNL     1       4.178  -1.771  -2.587  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.422  -1.987   1.970  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.830  -1.615  -1.004  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.662  -1.423   0.745  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.791  -0.027   1.425  1.00  0.00           H  
HETATM   36  H   UNL     1       2.876   0.879  -2.213  1.00  0.00           H  
HETATM   37  H   UNL     1       3.392   0.212  -3.666  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.159   2.761   0.798  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.263   2.250  -1.499  1.00  0.00           H  
CONECT    1   13   13    5   14                                       
CONECT    2   15   14   14   25                                       
CONECT    3    8   10    7   26                                       
CONECT    4   10   27                                                 
CONECT    5   23   23    1    6                                       
CONECT    6    5   28                                                 
CONECT    7    3   29                                                 
CONECT    8   22   15    3   30                                       
CONECT    9   16   16   17   31                                       
CONECT   10   11    4    3   32                                       
CONECT   11   12   22   10   33                                       
CONECT   12   18   11   34   35                                       
CONECT   13   16   15    1    1                                       
CONECT   14    1    2    2                                            
CONECT   15    8   13    2                                            
CONECT   16    9    9   13                                            
CONECT   17    9   36   37                                            
CONECT   18   24   12                                                 
CONECT   19   24   38                                                 
CONECT   20   24   39                                                 
CONECT   21   24   24                                                 
CONECT   22   11    8                                                 
CONECT   23    5    5                                                 
CONECT   24   21   21   19   20                                       
CONECT   24   18                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
