COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.287   3.638   0.500  1.00  0.00           C  
HETATM    2  C   UNL     1       3.534   1.499  -0.218  1.00  0.00           C  
HETATM    3  C   UNL     1       2.412   1.695   0.572  1.00  0.00           C  
HETATM    4  C   UNL     1       1.430   0.722   0.633  1.00  0.00           C  
HETATM    5  C   UNL     1       1.570  -0.447  -0.097  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.887  -0.361   0.556  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.928  -0.899  -0.180  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.946  -0.089  -0.636  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.925   1.281  -0.352  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.870   1.817   0.393  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.859   0.993   0.841  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.008   2.153  -0.835  1.00  0.00           C  
HETATM   13  C   UNL     1       0.612  -2.511  -1.043  1.00  0.00           C  
HETATM   14  C   UNL     1       2.078  -2.931  -1.222  1.00  0.00           C  
HETATM   15  C   UNL     1       2.694  -0.647  -0.893  1.00  0.00           C  
HETATM   16  C   UNL     1       3.676   0.330  -0.950  1.00  0.00           C  
HETATM   17  N   UNL     1       0.576  -1.440  -0.032  1.00  0.00           N  
HETATM   18  O   UNL     1       4.496   2.459  -0.280  1.00  0.00           O  
HETATM   19  O   UNL     1      -0.021  -0.748   2.260  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.136  -2.718   1.203  1.00  0.00           O  
HETATM   21  O   UNL     1       2.839  -1.788  -1.618  1.00  0.00           O  
HETATM   22  S   UNL     1      -0.594  -1.406   1.140  1.00  0.00           S  
HETATM   23  H   UNL     1       3.365   4.126   0.180  1.00  0.00           H  
HETATM   24  H   UNL     1       4.209   3.369   1.553  1.00  0.00           H  
HETATM   25  H   UNL     1       5.126   4.320   0.360  1.00  0.00           H  
HETATM   26  H   UNL     1       2.304   2.607   1.141  1.00  0.00           H  
HETATM   27  H   UNL     1       0.556   0.874   1.248  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.943  -1.957  -0.398  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.758  -0.510  -1.210  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.847   2.873   0.616  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.043   1.406   1.416  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.989   3.210  -0.614  1.00  0.00           H  
HETATM   33  H   UNL     1       0.215  -2.141  -1.988  1.00  0.00           H  
HETATM   34  H   UNL     1       0.022  -3.362  -0.702  1.00  0.00           H  
HETATM   35  H   UNL     1       2.464  -3.318  -0.279  1.00  0.00           H  
HETATM   36  H   UNL     1       2.146  -3.700  -1.990  1.00  0.00           H  
HETATM   37  H   UNL     1       4.549   0.183  -1.568  1.00  0.00           H  
HETATM   38  O   UNL     1      -5.921   1.685  -1.480  1.00  0.00           O  
CONECT    1   18   23   24   25                                       
CONECT    2    3    3   16   18                                       
CONECT    3    4    2    2   26                                       
CONECT    4    5    5    3   27                                       
CONECT    5   17    4    4   15                                       
CONECT    6   22    7    7   11                                       
CONECT    7    6    6    8   28                                       
CONECT    8    7    9    9   29                                       
CONECT    9    8    8   10   12                                       
CONECT   10   11   11    9   30                                       
CONECT   11    6   10   10   31                                       
CONECT   12    9   32   38   38                                       
CONECT   13   17   14   33   34                                       
CONECT   14   13   21   35   36                                       
CONECT   15    5   21   16   16                                       
CONECT   16   15   15    2   37                                       
CONECT   17   13   22    5                                            
CONECT   18    2    1                                                 
CONECT   19   22   22                                                 
CONECT   20   22   22                                                 
CONECT   21   14   15                                                 
CONECT   22   19   19   17   20                                       
CONECT   22   20    6                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   12   12                                                 
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
