COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.328   0.519   0.602  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.638   1.588   1.160  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.880   2.872   0.714  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.289   1.969   1.855  1.00  0.00           C  
HETATM    5  C   UNL     1       0.979   0.241  -0.955  1.00  0.00           C  
HETATM    6  C   UNL     1       1.999  -0.437  -0.286  1.00  0.00           C  
HETATM    7  C   UNL     1       1.692  -1.554   0.492  1.00  0.00           C  
HETATM    8  C   UNL     1       0.384  -1.981   0.595  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.622  -1.304  -0.070  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.325  -0.196  -0.844  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.429   0.539  -1.560  1.00  0.00           C  
HETATM   12  C   UNL     1       3.398   0.026  -0.402  1.00  0.00           C  
HETATM   13  C   UNL     1       4.471  -0.548   0.197  1.00  0.00           C  
HETATM   14  C   UNL     1       5.632   0.252  -0.208  1.00  0.00           C  
HETATM   15  C   UNL     1       5.140   1.236  -1.019  1.00  0.00           C  
HETATM   16  C   UNL     1       7.037   0.039   0.178  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.807   3.095  -0.287  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.496   2.034  -0.845  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.259   0.747  -0.404  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.083  -0.782   1.047  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.010  -0.409  -1.013  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.452  -0.407  -0.501  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.628   1.346   2.252  1.00  0.00           C  
HETATM   24  S   UNL     1      -2.290  -1.856   0.067  1.00  0.00           S  
HETATM   25  O   UNL     1      -2.865  -1.720  -1.225  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.248  -3.088   0.774  1.00  0.00           O  
HETATM   27  O   UNL     1       3.816   1.081  -1.124  1.00  0.00           O  
HETATM   28  O   UNL     1       7.332  -0.884   0.912  1.00  0.00           O  
HETATM   29  O   UNL     1       7.995   0.868  -0.282  1.00  0.00           O  
HETATM   30  H   UNL     1      -2.344   3.704   1.148  1.00  0.00           H  
HETATM   31  H   UNL     1       0.433   1.823   2.658  1.00  0.00           H  
HETATM   32  H   UNL     1       0.078   1.493   0.945  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.423   3.036   1.677  1.00  0.00           H  
HETATM   34  H   UNL     1       1.209   1.109  -1.556  1.00  0.00           H  
HETATM   35  H   UNL     1       2.477  -2.084   1.011  1.00  0.00           H  
HETATM   36  H   UNL     1       0.145  -2.846   1.196  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.569   0.107  -2.551  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.354   0.450  -0.990  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.161   1.591  -1.657  1.00  0.00           H  
HETATM   40  H   UNL     1       4.470  -1.415   0.841  1.00  0.00           H  
HETATM   41  H   UNL     1       5.724   2.007  -1.499  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.994   4.101  -0.634  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.219   2.212  -1.627  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.376  -1.056   1.930  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.009  -0.311  -2.098  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.526  -1.345  -0.732  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.452  -0.505   0.585  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.936   0.528  -0.781  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.995  -1.244  -0.942  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.979   1.799   3.179  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.500   0.273   2.398  1.00  0.00           H  
HETATM   52  H   UNL     1       8.903   0.688  -0.001  1.00  0.00           H  
CONECT    1   20    2   19   19                                       
CONECT    2   23    3    3    1                                       
CONECT    3    2    2   17   30                                       
CONECT    4   23   31   32   33                                       
CONECT    5    6   10   10   34                                       
CONECT    6   12    7    7    5                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7    9    9   36                                       
CONECT    9    8    8   10   24                                       
CONECT   10    5    5    9   11                                       
CONECT   11   10   37   38   39                                       
CONECT   12   27   13   13    6                                       
CONECT   13   14   12   12   40                                       
CONECT   14   15   15   16   13                                       
CONECT   15   27   14   14   41                                       
CONECT   16   28   28   14   29                                       
CONECT   17    3   18   18   42                                       
CONECT   18   17   17   19   43                                       
CONECT   19    1    1   18   21                                       
CONECT   20   24    1   44                                            
CONECT   21   19   22   45   46                                       
CONECT   22   21   47   48   49                                       
CONECT   23    4    2   50   51                                       
CONECT   24   25   25    9   26                                       
CONECT   24   26   20                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   15   12                                                 
CONECT   28   16   16                                                 
CONECT   29   16   52                                                 
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
