COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.451   0.790   0.171  1.00  0.00           C  
HETATM    2  C   UNL     1       2.683   1.494  -0.095  1.00  0.00           C  
HETATM    3  C   UNL     1       3.717   0.682  -0.283  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.270  -2.640  -0.616  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.221   1.729  -0.002  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.593  -3.731   0.286  1.00  0.00           C  
HETATM    7  C   UNL     1       0.166   1.466   0.413  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.247  -1.404  -0.094  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.919  -0.222  -0.969  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.285   0.780   0.551  1.00  0.00           C  
HETATM   11  O   UNL     1       0.119   2.441   1.139  1.00  0.00           O  
HETATM   12  C   UNL     1       1.598  -0.562   0.169  1.00  0.00           C  
HETATM   13  S   UNL     1       3.217  -0.995  -0.141  1.00  0.00           S  
HETATM   14  N   UNL     1      -0.959   1.004  -0.169  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.678   2.276  -1.355  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.488  -1.239   1.079  1.00  0.00           O  
HETATM   17  H   UNL     1       2.757   2.571  -0.137  1.00  0.00           H  
HETATM   18  H   UNL     1       4.724   1.008  -0.495  1.00  0.00           H  
HETATM   19  H   UNL     1      -2.075   2.556   0.694  1.00  0.00           H  
HETATM   20  H   UNL     1      -0.859  -3.767   1.091  1.00  0.00           H  
HETATM   21  H   UNL     1      -2.586  -3.572   0.707  1.00  0.00           H  
HETATM   22  H   UNL     1      -1.577  -4.673  -0.262  1.00  0.00           H  
HETATM   23  H   UNL     1       0.078  -0.348  -1.392  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.649  -0.154  -1.776  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.431  -0.047  -0.144  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.959   0.390   1.516  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.224   1.319   0.676  1.00  0.00           H  
HETATM   28  H   UNL     1       0.798  -1.266   0.343  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.617   2.815  -1.231  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.920   2.953  -1.749  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.824   1.449  -2.051  1.00  0.00           H  
CONECT    1   12   12    2    7                                       
CONECT    2    3    3    1   17                                       
CONECT    3   13    2    2   18                                       
CONECT    4    8    6                                                 
CONECT    5   14   10   15   19                                       
CONECT    6    4   20   21   22                                       
CONECT    7    1   11   11   14                                       
CONECT    8    9   16   16    4                                       
CONECT    9   14    8   23   24                                       
CONECT   10    5   25   26   27                                       
CONECT   11    7    7                                                 
CONECT   12   13    1    1   28                                       
CONECT   13    3   12                                                 
CONECT   14    7    9    5                                            
CONECT   15    5   29   30   31                                       
CONECT   16    8    8                                                 
CONECT   17    2                                                      
CONECT   18    3                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    6                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   10                                                      
CONECT   27   10                                                      
CONECT   28   12                                                      
CONECT   29   15                                                      
CONECT   30   15                                                      
CONECT   31   15                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
