COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.069  -2.355  -0.723  1.00  0.00           C  
HETATM    2  C   UNL     1       0.995  -3.231  -0.668  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.219  -2.812  -0.165  1.00  0.00           C  
HETATM    4  O   UNL     1       9.829   1.579   0.929  1.00  0.00           O  
HETATM    5  O   UNL     1      -2.584  -1.855   0.963  1.00  0.00           O  
HETATM    6  O   UNL     1      -3.522  -0.222   2.938  1.00  0.00           O  
HETATM    7  C   UNL     1       5.240   1.151  -0.218  1.00  0.00           C  
HETATM    8  C   UNL     1       6.570   1.651  -0.038  1.00  0.00           C  
HETATM    9  C   UNL     1       7.660   2.062   0.109  1.00  0.00           C  
HETATM   10  C   UNL     1       9.026   2.576   0.294  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.676  -1.056   0.830  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.560   0.484   0.711  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.562  -0.404   0.952  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.593  -0.592   0.033  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.626   0.109  -1.133  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.608   1.035  -1.416  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.605   1.780  -2.609  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.583   2.662  -2.816  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.582   2.803  -1.857  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.559   1.228  -0.483  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.164   2.108   2.108  1.00  0.00           O  
HETATM   22  S   UNL     1      -3.273   0.708   1.893  1.00  0.00           S  
HETATM   23  N   UNL     1      -3.588   2.108  -0.746  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.859   0.234   1.173  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.375  -1.500   0.292  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.380  -3.771  -0.110  1.00  0.00           C  
HETATM   27  C   UNL     1       0.699  -0.612   0.241  1.00  0.00           C  
HETATM   28  C   UNL     1       1.923  -1.036  -0.266  1.00  0.00           C  
HETATM   29  O   UNL     1       3.262  -2.775  -1.213  1.00  0.00           O  
HETATM   30  C   UNL     1       3.341  -4.132  -1.655  1.00  0.00           C  
HETATM   31  C   UNL     1       3.065  -0.102  -0.324  1.00  0.00           C  
HETATM   32  S   UNL     1       4.682  -0.442   0.276  1.00  0.00           S  
HETATM   33  C   UNL     1       4.214   1.838  -0.793  1.00  0.00           C  
HETATM   34  C   UNL     1       3.025   1.153  -0.850  1.00  0.00           C  
HETATM   35  H   UNL     1       1.110  -4.246  -1.020  1.00  0.00           H  
HETATM   36  H   UNL     1      10.744   1.850   1.083  1.00  0.00           H  
HETATM   37  H   UNL     1       8.997   3.470   0.916  1.00  0.00           H  
HETATM   38  H   UNL     1       9.456   2.823  -0.677  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.559  -0.973   1.870  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.376  -1.304   0.249  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.430  -0.046  -1.838  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.389   1.657  -3.342  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.550   3.249  -3.722  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.780   3.505  -2.034  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.161   0.886   0.999  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.446  -4.204   0.888  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.303  -3.237  -0.336  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.231  -4.565  -0.842  1.00  0.00           H  
HETATM   49  H   UNL     1       0.580   0.402   0.594  1.00  0.00           H  
HETATM   50  H   UNL     1       3.115  -4.798  -0.822  1.00  0.00           H  
HETATM   51  H   UNL     1       2.621  -4.295  -2.457  1.00  0.00           H  
HETATM   52  H   UNL     1       4.346  -4.336  -2.022  1.00  0.00           H  
HETATM   53  H   UNL     1       4.326   2.843  -1.172  1.00  0.00           H  
HETATM   54  H   UNL     1       2.129   1.576  -1.279  1.00  0.00           H  
CONECT    1   28   29    2    2                                       
CONECT    2    1    1    3   35                                       
CONECT    3   25   25    2   26                                       
CONECT    4   10   36                                                 
CONECT    5   11   11                                                 
CONECT    6   22   22                                                 
CONECT    7    8   33   33   32                                       
CONECT    8    9    9    9    7                                       
CONECT    9   10    8    8    8                                       
CONECT   10    4    9   37   38                                       
CONECT   11   25    5    5   24                                       
CONECT   12   22   13   13   20                                       
CONECT   13   12   12   14   39                                       
CONECT   14   13   15   15   40                                       
CONECT   15   14   14   16   41                                       
CONECT   16   20   15   17   17                                       
CONECT   17   16   16   18   42                                       
CONECT   18   19   19   17   43                                       
CONECT   19   23   18   18   44                                       
CONECT   20   12   23   23   16                                       
CONECT   21   22   22                                                 
CONECT   22    6    6   24   21                                       
CONECT   22   21   12                                                 
CONECT   23   20   20   19                                            
CONECT   24   11   22   45                                            
CONECT   25   27   11    3    3                                       
CONECT   26    3   46   47   48                                       
CONECT   27   28   28   25   49                                       
CONECT   28   31   27   27    1                                       
CONECT   29    1   30                                                 
CONECT   30   29   50   51   52                                       
CONECT   31   34   34   32   28                                       
CONECT   32    7   31                                                 
CONECT   33    7    7   34   53                                       
CONECT   34   33   31   31   54                                       
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   33                                                      
CONECT   54   34                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
