COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.168   1.570   1.491  1.00  0.00           C  
HETATM    2  C   UNL     1       2.444  -0.015  -0.497  1.00  0.00           C  
HETATM    3  C   UNL     1       3.238  -0.646  -1.445  1.00  0.00           C  
HETATM    4  C   UNL     1       4.034  -2.169   0.213  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.378  -0.056   1.054  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.082  -1.244   1.125  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.990  -3.327   0.077  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.223  -2.032  -0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.661  -1.633  -1.199  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.957  -0.445  -1.271  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.816   0.343  -0.144  1.00  0.00           C  
HETATM   12  C   UNL     1       1.597   0.157   1.884  1.00  0.00           C  
HETATM   13  C   UNL     1       2.441  -0.467   0.804  1.00  0.00           C  
HETATM   14  C   UNL     1       1.611   1.160  -0.946  1.00  0.00           C  
HETATM   15  C   UNL     1       4.029  -1.720  -1.094  1.00  0.00           C  
HETATM   16  C   UNL     1       3.243  -1.546   1.156  1.00  0.00           C  
HETATM   17  N   UNL     1       0.659   1.521   0.110  1.00  0.00           N  
HETATM   18  O   UNL     1      -0.960   2.264  -1.599  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.403   2.673   0.826  1.00  0.00           O  
HETATM   20  S   UNL     1      -0.925   1.861  -0.237  1.00  0.00           S  
HETATM   21  H   UNL     1       0.381   1.916   2.162  1.00  0.00           H  
HETATM   22  H   UNL     1       2.022   2.244   1.545  1.00  0.00           H  
HETATM   23  H   UNL     1       3.236  -0.293  -2.466  1.00  0.00           H  
HETATM   24  H   UNL     1       4.654  -3.007   0.495  1.00  0.00           H  
HETATM   25  H   UNL     1      -2.271   0.562   1.933  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.521  -1.556   2.061  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.041  -3.141  -0.145  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.585  -4.033  -0.649  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.898  -3.744   1.080  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.772  -2.249  -2.080  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.518  -0.133  -2.207  1.00  0.00           H  
HETATM   32  H   UNL     1       2.173   0.201   2.808  1.00  0.00           H  
HETATM   33  H   UNL     1       0.710  -0.456   2.043  1.00  0.00           H  
HETATM   34  H   UNL     1       2.262   2.009  -1.153  1.00  0.00           H  
HETATM   35  H   UNL     1       1.065   0.893  -1.851  1.00  0.00           H  
HETATM   36  H   UNL     1       4.644  -2.207  -1.837  1.00  0.00           H  
HETATM   37  H   UNL     1       3.247  -1.899   2.176  1.00  0.00           H  
CONECT    1   12   17   21   22                                       
CONECT    2   13   13    3   14                                       
CONECT    3   15   15    2   23                                       
CONECT    4   16   16   15   24                                       
CONECT    5    6   11   11   25                                       
CONECT    6    8    8    5   26                                       
CONECT    7    8   27   28   29                                       
CONECT    8    7    6    6    9                                       
CONECT    9    8   10   10   30                                       
CONECT   10    9    9   11   31                                       
CONECT   11    5    5   10   20                                       
CONECT   12   13    1   32   33                                       
CONECT   13   16   12    2    2                                       
CONECT   14    2   17   34   35                                       
CONECT   15    4    3    3   36                                       
CONECT   16    4    4   13   37                                       
CONECT   17   14   20    1                                            
CONECT   18   20   20                                                 
CONECT   19   20   20                                                 
CONECT   20   11   18   18   17                                       
CONECT   20   19   19                                                 
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
