COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.020  -0.463  -1.437  1.00  0.00           O  
HETATM    2  C   UNL     1       5.557  -0.014  -0.452  1.00  0.00           C  
HETATM    3  O   UNL     1       6.894   0.088  -0.404  1.00  0.00           O  
HETATM    4  C   UNL     1       4.724   0.435   0.721  1.00  0.00           C  
HETATM    5  N   UNL     1       3.306   0.227   0.422  1.00  0.00           N  
HETATM    6  C   UNL     1       2.593   1.192  -0.171  1.00  0.00           C  
HETATM    7  O   UNL     1       3.000   2.286  -0.514  1.00  0.00           O  
HETATM    8  S   UNL     1       0.945   0.571  -0.363  1.00  0.00           S  
HETATM    9  C   UNL     1       2.720  -0.918   0.731  1.00  0.00           C  
HETATM   10  O   UNL     1       3.317  -1.834   1.267  1.00  0.00           O  
HETATM   11  C   UNL     1       1.297  -1.000   0.383  1.00  0.00           C  
HETATM   12  C   UNL     1       0.448  -2.040   0.582  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.987  -1.878   0.313  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.790  -3.001   0.083  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.135  -2.846  -0.170  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.698  -1.577  -0.198  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.025  -1.431  -0.449  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.778  -2.624  -0.673  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.557  -0.599   0.290  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.905  -0.453   0.030  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.462   0.788   0.007  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.594   1.894   0.260  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.382   3.177   0.194  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.566   3.147  -0.045  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.769   4.352   0.401  1.00  0.00           O  
HETATM   26  H   UNL     1       7.385  -0.209  -1.182  1.00  0.00           H  
HETATM   27  H   UNL     1       4.998  -0.143   1.604  1.00  0.00           H  
HETATM   28  H   UNL     1       4.904   1.493   0.910  1.00  0.00           H  
HETATM   29  H   UNL     1       0.826  -2.986   0.939  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.354  -3.990   0.104  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.753  -3.714  -0.347  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.821  -2.365  -0.860  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.374  -3.152  -1.536  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.715  -3.264   0.207  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.943   0.271   0.471  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.152   1.789   1.251  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.803   1.914  -0.490  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.316   5.148   0.349  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   26                                                 
CONECT    4    2    5   27   28                                       
CONECT    5    4    6    9                                            
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   11                                                 
CONECT    9    5   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    8    9   12   12                                       
CONECT   12   11   11   13   29                                       
CONECT   13   12   19   19   14                                       
CONECT   14   13   15   15   30                                       
CONECT   15   14   14   16   31                                       
CONECT   16   15   20   20   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   32   33   34                                       
CONECT   19   13   13   20   35                                       
CONECT   20   16   16   19   21                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   36   37                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   38                                                 
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29   12                                                      
CONECT   30   14                                                      
CONECT   31   15                                                      
CONECT   32   18                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   22                                                      
CONECT   37   22                                                      
CONECT   38   25                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
