COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.837   0.437  -1.298  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.035   1.916  -1.637  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.349   2.695  -0.359  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.187   2.549   0.626  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.990   1.070   0.965  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.675   0.291  -0.313  1.00  0.00           C  
HETATM    7  S   UNL     1      -2.441  -1.462   0.089  1.00  0.00           S  
HETATM    8  O   UNL     1      -3.538  -1.951   0.849  1.00  0.00           O  
HETATM    9  O   UNL     1      -1.960  -2.174  -1.043  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.171  -1.477   1.151  1.00  0.00           N  
HETATM   11  C   UNL     1       0.102  -1.081   0.725  1.00  0.00           C  
HETATM   12  C   UNL     1       0.608   0.160   1.096  1.00  0.00           C  
HETATM   13  C   UNL     1       0.867  -1.928  -0.066  1.00  0.00           C  
HETATM   14  C   UNL     1       2.124  -1.543  -0.484  1.00  0.00           C  
HETATM   15  C   UNL     1       2.636  -0.300  -0.114  1.00  0.00           C  
HETATM   16  C   UNL     1       1.861   0.542   0.673  1.00  0.00           C  
HETATM   17  C   UNL     1       2.682   1.791   0.897  1.00  0.00           C  
HETATM   18  C   UNL     1       3.971   1.523   0.149  1.00  0.00           C  
HETATM   19  O   UNL     1       4.923   2.271   0.065  1.00  0.00           O  
HETATM   20  N   UNL     1       3.861   0.305  -0.406  1.00  0.00           N  
HETATM   21  C   UNL     1       4.909  -0.320  -1.218  1.00  0.00           C  
HETATM   22  C   UNL     1       5.839  -1.130  -0.313  1.00  0.00           C  
HETATM   23  H   UNL     1      -4.748   0.043  -0.847  1.00  0.00           H  
HETATM   24  H   UNL     1      -3.614  -0.118  -2.209  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.124   2.310  -2.089  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.863   2.020  -2.339  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.490   3.749  -0.600  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.260   2.301   0.093  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.276   2.943   0.175  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.411   3.104   1.537  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.162   0.966   1.667  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.900   0.676   1.417  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.765   0.685  -0.764  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.309  -1.759   2.069  1.00  0.00           H  
HETATM   35  H   UNL     1       0.020   0.821   1.714  1.00  0.00           H  
HETATM   36  H   UNL     1       0.476  -2.892  -0.356  1.00  0.00           H  
HETATM   37  H   UNL     1       2.715  -2.208  -1.095  1.00  0.00           H  
HETATM   38  H   UNL     1       2.174   2.662   0.483  1.00  0.00           H  
HETATM   39  H   UNL     1       2.878   1.933   1.960  1.00  0.00           H  
HETATM   40  H   UNL     1       4.452  -0.982  -1.954  1.00  0.00           H  
HETATM   41  H   UNL     1       5.482   0.452  -1.730  1.00  0.00           H  
HETATM   42  H   UNL     1       6.296  -0.469   0.424  1.00  0.00           H  
HETATM   43  H   UNL     1       5.266  -1.903   0.199  1.00  0.00           H  
HETATM   44  H   UNL     1       6.619  -1.596  -0.916  1.00  0.00           H  
CONECT    1    6    2   23   24                                       
CONECT    2    1    3   25   26                                       
CONECT    3    2    4   27   28                                       
CONECT    4    5    3   29   30                                       
CONECT    5    6    4   31   32                                       
CONECT    6    7    1    5   33                                       
CONECT    7   10    8    8    9                                       
CONECT    7    9    6                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10   11    7   34                                            
CONECT   11   13   13   12   10                                       
CONECT   12   16   16   11   35                                       
CONECT   13   14   11   11   36                                       
CONECT   14   15   15   13   37                                       
CONECT   15   20   14   14   16                                       
CONECT   16   15   17   12   12                                       
CONECT   17   18   16   38   39                                       
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   15                                            
CONECT   21   22   20   40   41                                       
CONECT   22   21   42   43   44                                       
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
