COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.046   3.112  -0.434  1.00  0.00           N  
HETATM    2  N   UNL     1      -3.086   1.847  -0.296  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.961   1.164  -0.162  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.849   1.998  -0.199  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.894  -0.307   0.005  1.00  0.00           C  
HETATM    6  C   UNL     1       0.578   1.633  -0.086  1.00  0.00           C  
HETATM    7  C   UNL     1       1.566   2.600  -0.282  1.00  0.00           C  
HETATM    8  C   UNL     1       2.896   2.255  -0.176  1.00  0.00           C  
HETATM    9  C   UNL     1       3.254   0.947   0.125  1.00  0.00           C  
HETATM   10  C   UNL     1       2.275  -0.017   0.321  1.00  0.00           C  
HETATM   11  C   UNL     1       0.942   0.321   0.222  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.399  -0.905   1.165  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.334  -2.279   1.316  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.769  -3.060   0.318  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.267  -2.468  -0.833  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.334  -1.099  -0.995  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.706  -4.409   0.468  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.952  -0.138   2.141  1.00  0.00           O  
HETATM   19  O   UNL     1       4.567   0.611   0.228  1.00  0.00           O  
HETATM   20  S   UNL     1      -1.561   3.608  -0.414  1.00  0.00           S  
HETATM   21  C   UNL     1       4.865  -0.751   0.541  1.00  0.00           C  
HETATM   22  C   UNL     1       6.382  -0.937   0.614  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.655  -3.323  -1.912  1.00  0.00           C  
HETATM   24  C   UNL     1       0.778  -3.689  -1.521  1.00  0.00           C  
HETATM   25  H   UNL     1      -0.947  -0.642  -1.893  1.00  0.00           H  
HETATM   26  H   UNL     1       1.288   3.617  -0.517  1.00  0.00           H  
HETATM   27  H   UNL     1       0.181  -0.429   0.379  1.00  0.00           H  
HETATM   28  H   UNL     1       3.661   3.002  -0.328  1.00  0.00           H  
HETATM   29  H   UNL     1       2.558  -1.033   0.555  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.723  -2.743   2.210  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.914  -0.059   2.082  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.479  -4.880   0.126  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.242  -4.233  -2.032  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.645  -2.771  -2.852  1.00  0.00           H  
HETATM   35  H   UNL     1       4.420  -1.009   1.502  1.00  0.00           H  
HETATM   36  H   UNL     1       4.457  -1.399  -0.235  1.00  0.00           H  
HETATM   37  H   UNL     1       6.827  -0.679  -0.347  1.00  0.00           H  
HETATM   38  H   UNL     1       6.790  -0.289   1.389  1.00  0.00           H  
HETATM   39  H   UNL     1       6.609  -1.976   0.853  1.00  0.00           H  
HETATM   40  H   UNL     1       1.366  -2.779  -1.401  1.00  0.00           H  
HETATM   41  H   UNL     1       0.768  -4.242  -0.581  1.00  0.00           H  
HETATM   42  H   UNL     1       1.221  -4.308  -2.302  1.00  0.00           H  
CONECT    1    2    2   20                                            
CONECT    2    1    1    3                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3    6   20                                       
CONECT    5    3   12   16   16                                       
CONECT    6    4    7   11   11                                       
CONECT    7    6    8    8   26                                       
CONECT    8    7    7    9   28                                       
CONECT    9    8   10   10   19                                       
CONECT   10    9    9   11   29                                       
CONECT   11    6    6   10   27                                       
CONECT   12    5   13   13   18                                       
CONECT   13   12   12   14   30                                       
CONECT   14   13   15   15   17                                       
CONECT   15   14   14   16   23                                       
CONECT   16    5    5   15   25                                       
CONECT   17   14   32                                                 
CONECT   18   12   31                                                 
CONECT   19    9   21                                                 
CONECT   20    1    4                                                 
CONECT   21   19   22   35   36                                       
CONECT   22   21   37   38   39                                       
CONECT   23   15   24   33   34                                       
CONECT   24   23   40   41   42                                       
CONECT   25   16                                                      
CONECT   26    7                                                      
CONECT   27   11                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   13                                                      
CONECT   31   18                                                      
CONECT   32   17                                                      
CONECT   33   23                                                      
CONECT   34   23                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
