COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.721   2.582   0.887  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.717   1.552   0.242  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.846   1.130  -0.361  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.844  -0.116  -1.133  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.863  -1.065  -0.558  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.142  -1.138  -0.931  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.891  -2.089  -0.261  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.222  -2.788   0.657  1.00  0.00           C  
HETATM    9  S   UNL     1      -2.548  -2.250   0.702  1.00  0.00           S  
HETATM   10  C   UNL     1      -3.076   1.917  -0.246  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.002   3.401  -0.610  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.136   2.978   0.855  1.00  0.00           C  
HETATM   13  C   UNL     1       0.525   0.766   0.114  1.00  0.00           C  
HETATM   14  C   UNL     1       0.470  -0.630   0.090  1.00  0.00           C  
HETATM   15  C   UNL     1       1.631  -1.365  -0.028  1.00  0.00           C  
HETATM   16  C   UNL     1       2.855  -0.719  -0.124  1.00  0.00           C  
HETATM   17  N   UNL     1       4.038  -1.452  -0.247  1.00  0.00           N  
HETATM   18  C   UNL     1       5.219  -0.836  -0.024  1.00  0.00           C  
HETATM   19  O   UNL     1       6.258  -1.447  -0.154  1.00  0.00           O  
HETATM   20  C   UNL     1       5.240   0.615   0.387  1.00  0.00           C  
HETATM   21  O   UNL     1       4.125   1.294  -0.195  1.00  0.00           O  
HETATM   22  C   UNL     1       2.917   0.677  -0.101  1.00  0.00           C  
HETATM   23  C   UNL     1       1.758   1.417   0.011  1.00  0.00           C  
HETATM   24  H   UNL     1      -2.093   0.100  -2.172  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.855  -0.571  -1.083  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.561  -0.503  -1.698  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.939  -2.253  -0.465  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.642  -3.568   1.275  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.998   1.386  -0.483  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.038   3.792  -0.935  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.875   3.847  -1.087  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.096   3.145   1.342  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.259   3.091   1.493  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.482  -1.134   0.165  1.00  0.00           H  
HETATM   35  H   UNL     1       1.587  -2.444  -0.046  1.00  0.00           H  
HETATM   36  H   UNL     1       4.012  -2.391  -0.488  1.00  0.00           H  
HETATM   37  H   UNL     1       5.182   0.685   1.473  1.00  0.00           H  
HETATM   38  H   UNL     1       6.166   1.076   0.042  1.00  0.00           H  
HETATM   39  H   UNL     1       1.804   2.496   0.025  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    4    2   10                                            
CONECT    4    3    5   24   25                                       
CONECT    5    4    6    6    9                                       
CONECT    6    5    5    7   26                                       
CONECT    7    6    8    8   27                                       
CONECT    8    9    7    7   28                                       
CONECT    9    5    8                                                 
CONECT   10   12   11    3   29                                       
CONECT   11   12   10   30   31                                       
CONECT   12   11   10   32   33                                       
CONECT   13    2   14   14   23                                       
CONECT   14   13   13   15   34                                       
CONECT   15   14   16   16   35                                       
CONECT   16   15   15   22   17                                       
CONECT   17   16   18   36                                            
CONECT   18   17   20   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   37   38                                       
CONECT   21   22   20                                                 
CONECT   22   23   23   16   21                                       
CONECT   23   13   22   22   39                                       
CONECT   24    4                                                      
CONECT   25    4                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   17                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
