COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.884  -1.487   1.332  1.00  0.00           C  
HETATM    2  S   UNL     1      -0.875  -2.920   0.201  1.00  0.00           S  
HETATM    3  C   UNL     1       0.880  -3.402   0.294  1.00  0.00           C  
HETATM    4  N   UNL     1       1.172  -4.044   1.555  1.00  0.00           N  
HETATM    5  C   UNL     1       1.826  -2.224   0.059  1.00  0.00           C  
HETATM    6  O   UNL     1       1.673  -1.789  -1.296  1.00  0.00           O  
HETATM    7  C   UNL     1       1.615  -1.047   1.017  1.00  0.00           C  
HETATM    8  O   UNL     1       2.537  -0.008   0.674  1.00  0.00           O  
HETATM    9  C   UNL     1       0.200  -0.460   0.976  1.00  0.00           C  
HETATM   10  O   UNL     1       0.136   0.596   1.943  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.283  -0.866   1.294  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.225  -1.869   1.621  1.00  0.00           O  
HETATM   13  C   UNL     1       2.074  -5.072   1.731  1.00  0.00           C  
HETATM   14  C   UNL     1       2.234  -5.597   3.148  1.00  0.00           C  
HETATM   15  C   UNL     1       3.337  -4.880   3.883  1.00  0.00           C  
HETATM   16  C   UNL     1       4.631  -5.376   3.822  1.00  0.00           C  
HETATM   17  C   UNL     1       5.652  -4.712   4.502  1.00  0.00           C  
HETATM   18  C   UNL     1       3.041  -3.735   4.609  1.00  0.00           C  
HETATM   19  C   UNL     1       4.062  -3.072   5.289  1.00  0.00           C  
HETATM   20  C   UNL     1       5.368  -3.560   5.236  1.00  0.00           C  
HETATM   21  N   UNL     1       2.807  -5.626   0.814  1.00  0.00           N  
HETATM   22  H   UNL     1      -0.726  -1.854   2.353  1.00  0.00           H  
HETATM   23  H   UNL     1       1.027  -4.140  -0.502  1.00  0.00           H  
HETATM   24  H   UNL     1       0.665  -3.689   2.360  1.00  0.00           H  
HETATM   25  H   UNL     1       2.867  -2.560   0.144  1.00  0.00           H  
HETATM   26  H   UNL     1       2.339  -2.267  -1.810  1.00  0.00           H  
HETATM   27  H   UNL     1       1.861  -1.345   2.043  1.00  0.00           H  
HETATM   28  H   UNL     1       3.094  -0.364  -0.033  1.00  0.00           H  
HETATM   29  H   UNL     1       0.003   0.005   0.002  1.00  0.00           H  
HETATM   30  H   UNL     1       0.402   1.402   1.478  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.488  -0.486   0.295  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.346  -0.057   2.019  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.884  -2.709   1.267  1.00  0.00           H  
HETATM   34  H   UNL     1       1.285  -5.486   3.686  1.00  0.00           H  
HETATM   35  H   UNL     1       2.445  -6.673   3.116  1.00  0.00           H  
HETATM   36  H   UNL     1       4.862  -6.272   3.253  1.00  0.00           H  
HETATM   37  H   UNL     1       6.669  -5.092   4.461  1.00  0.00           H  
HETATM   38  H   UNL     1       2.027  -3.348   4.656  1.00  0.00           H  
HETATM   39  H   UNL     1       3.841  -2.175   5.860  1.00  0.00           H  
HETATM   40  H   UNL     1       6.163  -3.044   5.765  1.00  0.00           H  
HETATM   41  H   UNL     1       2.619  -5.188  -0.093  1.00  0.00           H  
CONECT    1    2    9   11   22                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    5   23                                       
CONECT    4    3   13   24                                            
CONECT    5    3    6    7   25                                       
CONECT    6    5   26                                                 
CONECT    7    5    8    9   27                                       
CONECT    8    7   28                                                 
CONECT    9    1    7   10   29                                       
CONECT   10    9   30                                                 
CONECT   11    1   12   31   32                                       
CONECT   12   11   33                                                 
CONECT   13    4   14   21   21                                       
CONECT   14   13   15   34   35                                       
CONECT   15   14   16   16   18                                       
CONECT   16   15   15   17   36                                       
CONECT   17   16   20   20   37                                       
CONECT   18   15   19   19   38                                       
CONECT   19   18   18   20   39                                       
CONECT   20   17   17   19   40                                       
CONECT   21   13   13   41                                            
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
