COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.725  -2.644  -0.308  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.592  -3.698   0.648  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.187  -1.394   0.128  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.054  -0.250  -0.405  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.482   1.000  -0.017  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.466  -0.367   0.173  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.306   0.628  -0.415  1.00  0.00           O  
HETATM    8  S   UNL     1      -4.741   0.604   0.090  1.00  0.00           S  
HETATM    9  O   UNL     1      -4.737   1.204   1.489  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.471   1.505  -0.731  1.00  0.00           O  
HETATM   11  O   UNL     1      -5.090  -0.766   0.242  1.00  0.00           O  
HETATM   12  C   UNL     1       1.239  -1.235  -0.407  1.00  0.00           C  
HETATM   13  O   UNL     1       2.073  -2.257   0.144  1.00  0.00           O  
HETATM   14  C   UNL     1       3.149  -2.651  -0.709  1.00  0.00           C  
HETATM   15  C   UNL     1       1.776   0.140   0.001  1.00  0.00           C  
HETATM   16  O   UNL     1       3.079   0.328  -0.555  1.00  0.00           O  
HETATM   17  S   UNL     1       4.024   1.120   0.337  1.00  0.00           S  
HETATM   18  O   UNL     1       3.244   2.145   0.938  1.00  0.00           O  
HETATM   19  O   UNL     1       4.462   0.196   1.463  1.00  0.00           O  
HETATM   20  O   UNL     1       5.184   1.383  -0.441  1.00  0.00           O  
HETATM   21  C   UNL     1       0.833   1.224  -0.528  1.00  0.00           C  
HETATM   22  O   UNL     1       0.804   1.176  -1.956  1.00  0.00           O  
HETATM   23  H   UNL     1       0.225   1.837  -2.360  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.033  -3.388   1.595  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.106  -4.587   0.282  1.00  0.00           H  
HETATM   26  H   UNL     1       0.464  -3.924   0.795  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.174  -1.363   1.218  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.101  -0.306  -1.493  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.867  -1.357  -0.045  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.429  -0.220   1.253  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.609   1.236   1.905  1.00  0.00           H  
HETATM   32  H   UNL     1       1.232  -1.318  -1.494  1.00  0.00           H  
HETATM   33  H   UNL     1       3.735  -3.429  -0.219  1.00  0.00           H  
HETATM   34  H   UNL     1       2.748  -3.035  -1.647  1.00  0.00           H  
HETATM   35  H   UNL     1       3.787  -1.791  -0.911  1.00  0.00           H  
HETATM   36  H   UNL     1       1.831   0.202   1.087  1.00  0.00           H  
HETATM   37  H   UNL     1       5.070   0.605   2.094  1.00  0.00           H  
HETATM   38  H   UNL     1       1.188   2.203  -0.204  1.00  0.00           H  
CONECT    1    2    3                                                 
CONECT    2    1   24   25   26                                       
CONECT    3    1    4   12   27                                       
CONECT    4    3    5    6   28                                       
CONECT    5    4   21                                                 
CONECT    6    4    7   29   30                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   10   10                                       
CONECT    8   11   11                                                 
CONECT    9    8   31                                                 
CONECT   10    8    8                                                 
CONECT   11    8    8                                                 
CONECT   12    3   13   15   32                                       
CONECT   13   12   14                                                 
CONECT   14   13   33   34   35                                       
CONECT   15   12   16   21   36                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   19                                       
CONECT   17   20   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   37                                                 
CONECT   20   17   17                                                 
CONECT   21    5   15   22   38                                       
CONECT   22   21   23                                                 
CONECT   23   22                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
