COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.183  -0.757   2.119  1.00  0.00           C  
HETATM    2  C   UNL     1       4.545  -0.850   2.340  1.00  0.00           C  
HETATM    3  C   UNL     1       5.429  -0.663   1.295  1.00  0.00           C  
HETATM    4  C   UNL     1       4.952  -0.384   0.027  1.00  0.00           C  
HETATM    5  C   UNL     1       3.591  -0.293  -0.194  1.00  0.00           C  
HETATM    6  C   UNL     1       6.284   1.284  -1.197  1.00  0.00           C  
HETATM    7  O   UNL     1       5.811   2.073  -0.413  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.135  -0.650  -0.566  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.756  -0.994  -0.394  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.309  -2.324  -0.595  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.129  -1.614  -0.059  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.806  -0.017  -0.026  1.00  0.00           C  
HETATM   13  C   UNL     1       1.222  -0.385   0.609  1.00  0.00           C  
HETATM   14  C   UNL     1       2.706  -0.485   0.851  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.220   1.375   0.189  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.393   2.402   0.545  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.046   3.606   0.679  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.362   3.566   0.440  1.00  0.00           C  
HETATM   19  C   UNL     1       5.917  -0.175  -1.112  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.999  -2.599  -0.421  1.00  0.00           N  
HETATM   21  N   UNL     1      -1.524  -0.371   0.127  1.00  0.00           N  
HETATM   22  N   UNL     1      -6.229  -0.376  -0.703  1.00  0.00           N  
HETATM   23  O   UNL     1       7.137   1.707  -2.143  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.091  -3.202  -0.918  1.00  0.00           O  
HETATM   25  S   UNL     1       0.573  -2.013   0.159  1.00  0.00           S  
HETATM   26  S   UNL     1      -4.859   1.989   0.019  1.00  0.00           S  
HETATM   27  H   UNL     1       2.492  -0.902   2.936  1.00  0.00           H  
HETATM   28  H   UNL     1       4.917  -1.067   3.331  1.00  0.00           H  
HETATM   29  H   UNL     1       6.493  -0.735   1.468  1.00  0.00           H  
HETATM   30  H   UNL     1       3.219  -0.075  -1.184  1.00  0.00           H  
HETATM   31  H   UNL     1       0.729  -0.035   1.516  1.00  0.00           H  
HETATM   32  H   UNL     1       1.033   0.319  -0.201  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.332   2.281   0.707  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.535   4.515   0.956  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.020   4.420   0.500  1.00  0.00           H  
HETATM   36  H   UNL     1       6.816  -0.767  -0.940  1.00  0.00           H  
HETATM   37  H   UNL     1       5.450  -0.488  -2.046  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.675  -3.504  -0.554  1.00  0.00           H  
HETATM   39  H   UNL     1       7.342   2.652  -2.159  1.00  0.00           H  
CONECT    1   14   14    2   27                                       
CONECT    2    3    3    1   28                                       
CONECT    3    4    2    2   29                                       
CONECT    4   19    5    5    3                                       
CONECT    5    4    4   14   30                                       
CONECT    6    7    7   23   19                                       
CONECT    7    6    6                                                 
CONECT    8    9   22   22   22                                       
CONECT    9   10    8   12   12                                       
CONECT   10   24   24   20    9                                       
CONECT   11   20   25   21   21                                       
CONECT   12    9    9   21   15                                       
CONECT   13   14   25   31   32                                       
CONECT   14    5   13    1    1                                       
CONECT   15   12   26   16   16                                       
CONECT   16   15   15   17   33                                       
CONECT   17   18   18   16   34                                       
CONECT   18   26   17   17   35                                       
CONECT   19    6    4   36   37                                       
CONECT   20   10   11   38                                            
CONECT   21   11   11   12                                            
CONECT   22    8    8    8                                            
CONECT   23    6   39                                                 
CONECT   24   10   10                                                 
CONECT   25   13   11                                                 
CONECT   26   15   18                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
