COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.848   1.151  -1.642  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.075   0.516  -1.041  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.058   1.311  -0.480  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.184   0.736   0.071  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.331  -0.652   0.062  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.335  -1.449  -0.506  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.216  -0.861  -1.059  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.534  -1.275   0.651  1.00  0.00           C  
HETATM    9  C   UNL     1       1.071   0.285  -0.421  1.00  0.00           C  
HETATM   10  C   UNL     1       5.224  -1.567   0.079  1.00  0.00           C  
HETATM   11  N   UNL     1       4.774   0.821   0.067  1.00  0.00           N  
HETATM   12  CA  UNL     1       4.195  -0.502  -0.200  1.00  0.00           C  
HETATM   13  C   UNL     1       2.979  -0.719   0.703  1.00  0.00           C  
HETATM   14  N   UNL     1       2.031   0.383   0.517  1.00  0.00           N  
HETATM   15  C   UNL     1       2.129   1.501   1.300  1.00  0.00           C  
HETATM   16  C   UNL     1       1.255   2.516   1.128  1.00  0.00           C  
HETATM   17  C   UNL     1       0.250   2.400   0.138  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.549   3.303  -0.036  1.00  0.00           O  
HETATM   19  N   UNL     1       0.187   1.282  -0.613  1.00  0.00           N  
HETATM   20  O   UNL     1      -5.672  -2.615   0.640  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.398  -0.579   1.144  1.00  0.00           O  
HETATM   22  O   UNL     1       1.006  -0.715  -1.109  1.00  0.00           O  
HETATM   23  O   UNL     1       5.086  -2.790  -0.456  1.00  0.00           O  
HETATM   24  OXT UNL     1       6.173  -1.320   0.785  1.00  0.00           O  
HETATM   25  H   UNL     1      -0.476   0.527  -2.454  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.102   2.138  -2.029  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.943   2.385  -0.474  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.951   1.359   0.509  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.442  -2.524  -0.516  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.445  -1.476  -1.498  1.00  0.00           H  
HETATM   31  H1  UNL     1       5.068   0.899   1.030  1.00  0.00           H  
HETATM   32  H2  UNL     1       5.540   1.014  -0.561  1.00  0.00           H  
HETATM   33  HA  UNL     1       3.887  -0.560  -1.244  1.00  0.00           H  
HETATM   34  H   UNL     1       2.496  -1.661   0.443  1.00  0.00           H  
HETATM   35  H   UNL     1       3.300  -0.750   1.744  1.00  0.00           H  
HETATM   36  H   UNL     1       2.902   1.571   2.051  1.00  0.00           H  
HETATM   37  H   UNL     1       1.321   3.404   1.740  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.476  -2.977   1.037  1.00  0.00           H  
HETATM   39  H   UNL     1       5.772  -3.440  -0.248  1.00  0.00           H  
CONECT    1    2   19   25   26                                       
CONECT    2    1    3    7    7                                       
CONECT    3    2    4    4   27                                       
CONECT    4    3    3    5   28                                       
CONECT    5    4    6    6    8                                       
CONECT    6    5    5    7   29                                       
CONECT    7    6    2    2   30                                       
CONECT    8    5   21   21   20                                       
CONECT    9   19   14   22   22                                       
CONECT   10   12   23   24   24                                       
CONECT   11   12   31   32                                            
CONECT   12   10   11   13   33                                       
CONECT   13   12   14   34   35                                       
CONECT   14   13    9   15                                            
CONECT   15   14   16   16   36                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19    9    1   17                                            
CONECT   20    8   38                                                 
CONECT   21    8    8                                                 
CONECT   22    9    9                                                 
CONECT   23   10   39                                                 
CONECT   24   10   10                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   20                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
