COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.865   2.249   0.762  1.00  0.00           C  
HETATM    2  C   UNL     1       0.471  -3.385   1.243  1.00  0.00           C  
HETATM    3  C   UNL     1       0.193  -1.889   0.953  1.00  0.00           C  
HETATM    4  C   UNL     1       1.430  -1.222   0.407  1.00  0.00           C  
HETATM    5  C   UNL     1       3.248   0.290   0.663  1.00  0.00           C  
HETATM    6  C   UNL     1       3.219   0.710  -0.660  1.00  0.00           C  
HETATM    7  C   UNL     1       4.286   1.413  -1.184  1.00  0.00           C  
HETATM    8  C   UNL     1       5.383   1.699  -0.392  1.00  0.00           C  
HETATM    9  C   UNL     1       5.415   1.282   0.926  1.00  0.00           C  
HETATM   10  C   UNL     1       4.351   0.580   1.456  1.00  0.00           C  
HETATM   11  C   UNL     1       6.613   1.596   1.786  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.529   1.834   0.617  1.00  0.00           C  
HETATM   13  C   UNL     1       4.255   1.868  -2.620  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.208   2.107   0.944  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.192   1.340   0.408  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.490   0.302  -0.454  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.805   0.028  -0.783  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.825   0.788  -0.244  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.620  -3.158   0.043  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.956  -3.988   1.162  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.877  -1.893  -0.061  1.00  0.00           N  
HETATM   22  N   UNL     1       2.166  -0.417   1.199  1.00  0.00           N  
HETATM   23  O   UNL     1      -5.530   2.587   1.143  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.724  -1.294  -2.300  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.036   0.152  -1.156  1.00  0.00           O  
HETATM   26  O   UNL     1       1.762  -1.410  -0.744  1.00  0.00           O  
HETATM   27  S   UNL     1      -1.192  -0.675  -1.137  1.00  0.00           S  
HETATM   28  H   UNL     1      -6.968   2.340  -0.319  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.080   1.224   1.063  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.565   2.926   1.252  1.00  0.00           H  
HETATM   31  H   UNL     1       1.121  -3.817   0.481  1.00  0.00           H  
HETATM   32  H   UNL     1       0.896  -3.519   2.238  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.141  -1.383   1.858  1.00  0.00           H  
HETATM   34  H   UNL     1       2.363   0.486  -1.279  1.00  0.00           H  
HETATM   35  H   UNL     1       6.216   2.249  -0.804  1.00  0.00           H  
HETATM   36  H   UNL     1       4.377   0.255   2.486  1.00  0.00           H  
HETATM   37  H   UNL     1       6.463   2.554   2.283  1.00  0.00           H  
HETATM   38  H   UNL     1       6.737   0.813   2.534  1.00  0.00           H  
HETATM   39  H   UNL     1       7.505   1.646   1.161  1.00  0.00           H  
HETATM   40  H   UNL     1       3.808   2.861  -2.677  1.00  0.00           H  
HETATM   41  H   UNL     1       5.272   1.905  -3.011  1.00  0.00           H  
HETATM   42  H   UNL     1       3.663   1.169  -3.210  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.975   2.919   1.618  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.164   1.553   0.662  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.035  -0.787  -1.453  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.852   0.574  -0.501  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.565  -3.699  -0.902  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.661  -2.957   0.295  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.915  -5.042   0.887  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.485  -3.855   2.106  1.00  0.00           H  
HETATM   51  H   UNL     1       1.946  -0.329   2.139  1.00  0.00           H  
CONECT    1   23   28   29   30                                       
CONECT    2   20    3   31   32                                       
CONECT    3    2    4   21   33                                       
CONECT    4    3   26   26   22                                       
CONECT    5   22   10   10    6                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    8   13                                       
CONECT    8    9    9    7   35                                       
CONECT    9   10   11    8    8                                       
CONECT   10    5    5    9   36                                       
CONECT   11    9   37   38   39                                       
CONECT   12   18   23   14   14                                       
CONECT   13    7   40   41   42                                       
CONECT   14   12   12   15   43                                       
CONECT   15   16   16   14   44                                       
CONECT   16   27   17   15   15                                       
CONECT   17   18   18   16   45                                       
CONECT   18   17   17   12   46                                       
CONECT   19   20   21   47   48                                       
CONECT   20    2   19   49   50                                       
CONECT   21    3   19   27                                            
CONECT   22    4    5   51                                            
CONECT   23    1   12                                                 
CONECT   24   27   27                                                 
CONECT   25   27   27                                                 
CONECT   26    4    4                                                 
CONECT   27   21   24   24   16                                       
CONECT   27   25   25                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
