COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.020  -2.020  -0.492  1.00  0.00           C  
HETATM    2  C   UNL     1       5.979  -1.947   0.627  1.00  0.00           C  
HETATM    3  C   UNL     1       5.323  -3.318   0.803  1.00  0.00           C  
HETATM    4  C   UNL     1       6.662  -1.537   1.933  1.00  0.00           C  
HETATM    5  C   UNL     1       4.927  -0.928   0.269  1.00  0.00           C  
HETATM    6  C   UNL     1       4.174  -1.088  -0.879  1.00  0.00           C  
HETATM    7  C   UNL     1       3.209  -0.153  -1.207  1.00  0.00           C  
HETATM    8  C   UNL     1       4.713   0.162   1.091  1.00  0.00           C  
HETATM    9  C   UNL     1       3.747   1.095   0.763  1.00  0.00           C  
HETATM   10  C   UNL     1       2.999   0.940  -0.388  1.00  0.00           C  
HETATM   11  S   UNL     1       1.770   2.131  -0.807  1.00  0.00           S  
HETATM   12  O   UNL     1       2.143   3.339  -0.158  1.00  0.00           O  
HETATM   13  O   UNL     1       1.577   2.032  -2.211  1.00  0.00           O  
HETATM   14  C   UNL     1       0.262   1.610  -0.059  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.675   0.799  -0.605  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.638   0.161  -1.970  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.180   1.934   1.161  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.317   1.367   1.360  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.656   0.676   0.329  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.833  -0.078   0.193  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.772  -1.383  -0.271  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.930  -2.125  -0.405  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.861  -3.543  -0.910  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.156  -1.567  -0.074  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.293  -2.299  -0.207  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.521  -1.662   0.152  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.223  -0.262   0.391  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.063   0.483   0.531  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.127   1.762   0.987  1.00  0.00           O  
HETATM   30  C   UNL     1      -5.422   2.274   1.304  1.00  0.00           C  
HETATM   31  H   UNL     1       7.781  -2.756  -0.233  1.00  0.00           H  
HETATM   32  H   UNL     1       6.534  -2.312  -1.423  1.00  0.00           H  
HETATM   33  H   UNL     1       7.488  -1.043  -0.617  1.00  0.00           H  
HETATM   34  H   UNL     1       6.083  -4.054   1.062  1.00  0.00           H  
HETATM   35  H   UNL     1       4.581  -3.266   1.600  1.00  0.00           H  
HETATM   36  H   UNL     1       4.836  -3.610  -0.128  1.00  0.00           H  
HETATM   37  H   UNL     1       7.130  -0.560   1.808  1.00  0.00           H  
HETATM   38  H   UNL     1       5.920  -1.485   2.730  1.00  0.00           H  
HETATM   39  H   UNL     1       7.423  -2.273   2.192  1.00  0.00           H  
HETATM   40  H   UNL     1       4.338  -1.942  -1.519  1.00  0.00           H  
HETATM   41  H   UNL     1       2.620  -0.277  -2.104  1.00  0.00           H  
HETATM   42  H   UNL     1       5.298   0.284   1.990  1.00  0.00           H  
HETATM   43  H   UNL     1       3.579   1.947   1.406  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.064  -0.765  -1.923  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.654  -0.057  -2.297  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.167   0.844  -2.677  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.818  -1.820  -0.528  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.739  -4.224  -0.067  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.781  -3.785  -1.441  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.012  -3.647  -1.586  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.349  -2.355  -0.001  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.484  -1.365   1.200  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.667  -0.779  -0.471  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.177   0.171   0.652  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.050   2.250   0.413  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.874   1.662   2.084  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.330   3.302   1.655  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    5    1    4    3                                       
CONECT    3    2   34   35   36                                       
CONECT    4    2   37   38   39                                       
CONECT    5    6    6    8    2                                       
CONECT    6    7    5    5   40                                       
CONECT    7   10   10    6   41                                       
CONECT    8    9    9    5   42                                       
CONECT    9   10    8    8   43                                       
CONECT   10   11    7    7    9                                       
CONECT   11   12   12   13   13                                       
CONECT   11   14   10                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   15   17                                       
CONECT   15   16   14   14   19                                       
CONECT   16   15   44   45   46                                       
CONECT   17   14   18   18                                            
CONECT   18   19   17   17                                            
CONECT   19   15   20   18                                            
CONECT   20   28   19   21   21                                       
CONECT   21   20   20   22   47                                       
CONECT   22   24   24   21   23                                       
CONECT   23   22   48   49   50                                       
CONECT   24   27   25   22   22                                       
CONECT   25   26   24                                                 
CONECT   26   25   51   52   53                                       
CONECT   27   28   28   24   54                                       
CONECT   28   29   27   27   20                                       
CONECT   29   30   28                                                 
CONECT   30   29   55   56   57                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
