COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.852  -1.133   1.206  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.339  -1.566  -0.607  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.995  -1.843  -0.451  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.080  -0.804  -0.363  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.517   0.510  -0.433  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.862   0.782  -0.588  1.00  0.00           C  
HETATM    7  C   UNL     1       3.544  -0.445   0.040  1.00  0.00           C  
HETATM    8  C   UNL     1       6.140  -1.345   0.347  1.00  0.00           C  
HETATM    9  C   UNL     1       4.582   0.461   0.143  1.00  0.00           C  
HETATM   10  CA  UNL     1      -4.904   0.165   0.521  1.00  0.00           C  
HETATM   11  C   UNL     1       3.803  -1.802   0.096  1.00  0.00           C  
HETATM   12  C   UNL     1       5.101  -2.252   0.250  1.00  0.00           C  
HETATM   13  C   UNL     1       5.880   0.012   0.296  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.341   0.585   0.348  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.239   0.044  -0.852  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.773  -0.255  -0.675  1.00  0.00           C  
HETATM   17  C   UNL     1       2.128   0.045  -0.127  1.00  0.00           C  
HETATM   18  N   UNL     1       4.303   1.914   0.089  1.00  0.00           N1+
HETATM   19  O   UNL     1       1.243  -1.074  -0.210  1.00  0.00           O  
HETATM   20  O   UNL     1       3.159   2.310  -0.046  1.00  0.00           O  
HETATM   21  O   UNL     1       5.218   2.713   0.180  1.00  0.00           O1-
HETATM   22  O   UNL     1      -7.223  -0.240   0.409  1.00  0.00           O  
HETATM   23  H1  UNL     1      -5.334  -1.842   0.674  1.00  0.00           H  
HETATM   24  H2  UNL     1      -3.898  -1.407   1.392  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.052  -2.374  -0.679  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.657  -2.867  -0.397  1.00  0.00           H  
HETATM   27  H   UNL     1       0.194   1.321  -0.365  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.204   1.806  -0.642  1.00  0.00           H  
HETATM   29  H   UNL     1       7.154  -1.696   0.467  1.00  0.00           H  
HETATM   30  HA  UNL     1      -4.377   0.911   1.116  1.00  0.00           H  
HETATM   31  H   UNL     1       2.992  -2.511   0.020  1.00  0.00           H  
HETATM   32  H   UNL     1       5.304  -3.312   0.290  1.00  0.00           H  
HETATM   33  H   UNL     1       6.691   0.720   0.372  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.710  -0.763  -1.413  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.356   0.982  -1.395  1.00  0.00           H  
HETATM   36  H   UNL     1       1.854   0.662   0.728  1.00  0.00           H  
HETATM   37  H   UNL     1       2.054   0.635  -1.041  1.00  0.00           H  
HETATM   38  OXT UNL     1      -6.642   1.874   0.127  1.00  0.00           O  
HETATM   39  HXT UNL     1      -7.577   2.095   0.022  1.00  0.00           H  
CONECT    1   10   23   24                                            
CONECT    2    3   16   16   25                                       
CONECT    3    4    4    2   26                                       
CONECT    4   19    3    3    5                                       
CONECT    5    4    6    6   27                                       
CONECT    6    5    5   16   28                                       
CONECT    7    9    9   11   17                                       
CONECT    8   13   13   12   29                                       
CONECT    9   13   18    7    7                                       
CONECT   10   14   15    1   30                                       
CONECT   11   12   12    7   31                                       
CONECT   12    8   11   11   32                                       
CONECT   13    8    8    9   33                                       
CONECT   14   22   22   10   38                                       
CONECT   15   16   10   34   35                                       
CONECT   16    2    2    6   15                                       
CONECT   17    7   19   36   37                                       
CONECT   18    9   20   20   21                                       
CONECT   19   17    4                                                 
CONECT   20   18   18                                                 
CONECT   21   18                                                      
CONECT   22   14   14                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   14   39                                                 
CONECT   39   38                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
