COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.011  -3.193   0.705  1.00  0.00           C  
HETATM    2  C   UNL     1       0.167  -2.360   0.198  1.00  0.00           C  
HETATM    3  C   UNL     1       1.248  -3.285  -0.364  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.284  -1.461  -0.831  1.00  0.00           O  
HETATM    5  O   UNL     1       0.712  -1.582   1.280  1.00  0.00           O  
HETATM    6  C   UNL     1       1.141  -0.348   0.641  1.00  0.00           C  
HETATM    7  C   UNL     1       2.464  -0.668  -0.070  1.00  0.00           C  
HETATM    8  O   UNL     1       3.531  -0.149   0.771  1.00  0.00           O  
HETATM    9  C   UNL     1       3.542   1.266   0.508  1.00  0.00           C  
HETATM   10  C   UNL     1       4.979   1.788   0.561  1.00  0.00           C  
HETATM   11  C   UNL     1       2.692   1.991   1.553  1.00  0.00           C  
HETATM   12  O   UNL     1       2.994   1.491  -0.801  1.00  0.00           O  
HETATM   13  C   UNL     1       2.644   0.203  -1.327  1.00  0.00           C  
HETATM   14  C   UNL     1       1.374   0.249  -2.154  1.00  0.00           C  
HETATM   15  O   UNL     1       0.304   0.778  -1.380  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.007  -0.138  -0.359  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.231   0.374   0.404  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.359   0.512  -0.520  1.00  0.00           N  
HETATM   19  S   UNL     1      -3.897   0.686   0.071  1.00  0.00           S  
HETATM   20  O   UNL     1      -4.045  -0.322   1.062  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.731   0.849  -1.068  1.00  0.00           O  
HETATM   22  N   UNL     1      -3.955   2.128   0.882  1.00  0.00           N  
HETATM   23  H   UNL     1      -1.431  -3.769  -0.119  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.666  -3.873   1.485  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.776  -2.532   1.113  1.00  0.00           H  
HETATM   26  H   UNL     1       1.839  -2.746  -1.105  1.00  0.00           H  
HETATM   27  H   UNL     1       1.897  -3.619   0.445  1.00  0.00           H  
HETATM   28  H   UNL     1       0.778  -4.149  -0.834  1.00  0.00           H  
HETATM   29  H   UNL     1       1.222   0.483   1.342  1.00  0.00           H  
HETATM   30  H   UNL     1       2.578  -1.734  -0.266  1.00  0.00           H  
HETATM   31  H   UNL     1       5.398   1.598   1.549  1.00  0.00           H  
HETATM   32  H   UNL     1       5.579   1.279  -0.193  1.00  0.00           H  
HETATM   33  H   UNL     1       4.983   2.861   0.365  1.00  0.00           H  
HETATM   34  H   UNL     1       3.004   3.034   1.616  1.00  0.00           H  
HETATM   35  H   UNL     1       1.642   1.943   1.265  1.00  0.00           H  
HETATM   36  H   UNL     1       2.824   1.514   2.524  1.00  0.00           H  
HETATM   37  H   UNL     1       3.465  -0.184  -1.931  1.00  0.00           H  
HETATM   38  H   UNL     1       1.534   0.881  -3.028  1.00  0.00           H  
HETATM   39  H   UNL     1       1.120  -0.759  -2.482  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.490  -0.334   1.191  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.003   1.343   0.847  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.206   0.502  -1.478  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.164   2.687   0.935  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.780   2.413   1.305  1.00  0.00           H  
CONECT    1    2   23   24   25                                       
CONECT    2    1    3    4    5                                       
CONECT    3    2   26   27   28                                       
CONECT    4    2   16                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   16   29                                       
CONECT    7    6    8   13   30                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   11   12                                       
CONECT   10    9   31   32   33                                       
CONECT   11    9   34   35   36                                       
CONECT   12    9   13                                                 
CONECT   13    7   12   14   37                                       
CONECT   14   13   15   38   39                                       
CONECT   15   14   16                                                 
CONECT   16    4    6   15   17                                       
CONECT   17   16   18   40   41                                       
CONECT   18   17   19   42                                            
CONECT   19   18   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   43   44                                            
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
