COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.311   0.561   0.631  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.344  -0.303   0.963  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.307  -1.597   0.467  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.251  -1.981  -0.336  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.285  -1.133  -0.631  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.289   0.107  -0.182  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.161   1.036  -0.549  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.827   0.401  -0.153  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.730   1.304  -0.509  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.456   0.951  -0.252  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.216  -0.118   0.276  1.00  0.00           O  
HETATM   12  N   UNL     1       0.553   1.782  -0.580  1.00  0.00           N  
HETATM   13  C   UNL     1       1.871   1.458  -0.229  1.00  0.00           C  
HETATM   14  C   UNL     1       2.284   0.134  -0.227  1.00  0.00           C  
HETATM   15  C   UNL     1       2.770   2.465   0.114  1.00  0.00           C  
HETATM   16  O   UNL     1       2.372   3.765   0.109  1.00  0.00           O  
HETATM   17  C   UNL     1       4.071   2.138   0.460  1.00  0.00           C  
HETATM   18  C   UNL     1       4.475   0.816   0.465  1.00  0.00           C  
HETATM   19  C   UNL     1       3.584  -0.184   0.120  1.00  0.00           C  
HETATM   20  S   UNL     1       4.107  -1.866   0.122  1.00  0.00           S  
HETATM   21  O   UNL     1       5.218  -1.940   1.005  1.00  0.00           O  
HETATM   22  O   UNL     1       2.934  -2.651   0.283  1.00  0.00           O  
HETATM   23  N   UNL     1       4.689  -2.201  -1.392  1.00  0.00           N  
HETATM   24  H   UNL     1      -6.307   1.576   0.999  1.00  0.00           H  
HETATM   25  H   UNL     1      -8.157   0.025   1.594  1.00  0.00           H  
HETATM   26  H   UNL     1      -8.095  -2.296   0.706  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.215  -2.987  -0.726  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.173   1.215  -1.625  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.284   1.982  -0.023  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.816   0.222   0.923  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.705  -0.546  -0.679  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.922   2.156  -0.931  1.00  0.00           H  
HETATM   33  H   UNL     1       0.368   2.605  -1.060  1.00  0.00           H  
HETATM   34  H   UNL     1       1.591  -0.649  -0.496  1.00  0.00           H  
HETATM   35  H   UNL     1       2.014   4.070   0.954  1.00  0.00           H  
HETATM   36  H   UNL     1       4.771   2.917   0.726  1.00  0.00           H  
HETATM   37  H   UNL     1       5.489   0.563   0.736  1.00  0.00           H  
HETATM   38  H   UNL     1       5.391  -2.861  -1.507  1.00  0.00           H  
HETATM   39  H   UNL     1       4.329  -1.736  -2.163  1.00  0.00           H  
CONECT    1    6    2    2   24                                       
CONECT    2    1    1    3   25                                       
CONECT    3    4    4    2   26                                       
CONECT    4    5    3    3   27                                       
CONECT    5    6    6    4                                            
CONECT    6    7    5    5    1                                       
CONECT    7    8    6   28   29                                       
CONECT    8    7    9   30   31                                       
CONECT    9    8   10   32                                            
CONECT   10   11   11    9   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   33                                            
CONECT   13   12   15   15   14                                       
CONECT   14   13   19   19   34                                       
CONECT   15   16   13   13   17                                       
CONECT   16   15   35                                                 
CONECT   17   15   18   18   36                                       
CONECT   18   17   17   19   37                                       
CONECT   19   14   14   18   20                                       
CONECT   20   23   19   21   21                                       
CONECT   20   22   22                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   38   39                                            
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
