COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.614   1.238  -0.190  1.00  0.00           C  
HETATM    2  C   UNL     1       1.892  -0.054  -0.498  1.00  0.00           C  
HETATM    3  C   UNL     1       2.534  -1.067   0.114  1.00  0.00           C  
HETATM    4  C   UNL     1       3.759   0.827   0.748  1.00  0.00           C  
HETATM    5  C   UNL     1       5.114   0.649   0.051  1.00  0.00           C  
HETATM    6  C   UNL     1       3.172   1.856  -1.474  1.00  0.00           C  
HETATM    7  C   UNL     1       2.110  -2.416   0.047  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.732   0.722  -0.481  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.221  -0.122   0.722  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.096   1.112  -0.120  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.057   0.965  -1.252  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.408   0.438  -0.528  1.00  0.00           C  
HETATM   13  C   UNL     1       4.917  -0.840   0.249  1.00  0.00           C  
HETATM   14  C   UNL     1       6.292   1.226   0.839  1.00  0.00           C  
HETATM   15  C   UNL     1       7.588   0.996   0.060  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.540   0.446   1.072  1.00  0.00           N  
HETATM   17  N   UNL     1      -5.347   0.478   0.596  1.00  0.00           N  
HETATM   18  N   UNL     1      -7.077  -1.413  -0.138  1.00  0.00           N  
HETATM   19  N   UNL     1       3.670  -0.645   0.823  1.00  0.00           N  
HETATM   20  O   UNL     1       5.590  -1.820   0.009  1.00  0.00           O  
HETATM   21  O   UNL     1       6.094   2.628   1.033  1.00  0.00           O  
HETATM   22  O   UNL     1       1.074  -2.759  -0.747  1.00  0.00           O  
HETATM   23  O   UNL     1       2.680  -3.266   0.706  1.00  0.00           O  
HETATM   24  O   UNL     1      -7.582   0.248   1.615  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.346   0.957  -0.770  1.00  0.00           O  
HETATM   26  S   UNL     1       0.445  -0.208  -1.492  1.00  0.00           S  
HETATM   27  S   UNL     1      -6.953   0.166   0.344  1.00  0.00           S  
HETATM   28  H   UNL     1       1.944   1.938   0.308  1.00  0.00           H  
HETATM   29  H   UNL     1       3.783   1.359   1.700  1.00  0.00           H  
HETATM   30  H   UNL     1       5.112   0.956  -0.995  1.00  0.00           H  
HETATM   31  H   UNL     1       2.348   2.203  -2.098  1.00  0.00           H  
HETATM   32  H   UNL     1       3.816   2.698  -1.221  1.00  0.00           H  
HETATM   33  H   UNL     1       3.748   1.107  -2.017  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.298   1.664  -0.146  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.323  -1.169   0.434  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.530  -0.024   1.560  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.270   2.167   0.088  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.997   1.879  -1.842  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.295   0.111  -1.886  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.838   0.965  -1.380  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.214  -0.599  -0.803  1.00  0.00           H  
HETATM   42  H   UNL     1       6.358   0.731   1.808  1.00  0.00           H  
HETATM   43  H   UNL     1       7.522   1.490  -0.909  1.00  0.00           H  
HETATM   44  H   UNL     1       8.427   1.407   0.621  1.00  0.00           H  
HETATM   45  H   UNL     1       7.739  -0.074  -0.087  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.164  -0.270   1.411  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.027   0.687   1.488  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.875  -1.923   0.071  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.351  -1.828  -0.630  1.00  0.00           H  
HETATM   50  H   UNL     1       6.026   3.132   0.211  1.00  0.00           H  
HETATM   51  H   UNL     1       0.906  -3.711  -0.786  1.00  0.00           H  
CONECT    1    4    2    6   28                                       
CONECT    2    3    3    1   26                                       
CONECT    3   19    7    2    2                                       
CONECT    4    5   19    1   29                                       
CONECT    5   14   13    4   30                                       
CONECT    6    1   31   32   33                                       
CONECT    7   23   23    3   22                                       
CONECT    8    9   26   11   34                                       
CONECT    9   16    8   35   36                                       
CONECT   10   16   11   12   37                                       
CONECT   11    8   10   38   39                                       
CONECT   12   17   10   40   41                                       
CONECT   13   20   20    5   19                                       
CONECT   14   21   15    5   42                                       
CONECT   15   14   43   44   45                                       
CONECT   16    9   10   46                                            
CONECT   17   27   12   47                                            
CONECT   18   27   48   49                                            
CONECT   19   13    4    3                                            
CONECT   20   13   13                                                 
CONECT   21   14   50                                                 
CONECT   22    7   51                                                 
CONECT   23    7    7                                                 
CONECT   24   27   27                                                 
CONECT   25   27   27                                                 
CONECT   26    2    8                                                 
CONECT   27   18   17   24   24                                       
CONECT   27   25   25                                                 
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
