COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.255   2.327  -0.143  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.055   3.140   0.735  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.476   2.421  -1.034  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.040   1.003  -1.191  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.022   0.132  -1.923  1.00  0.00           C  
HETATM    6  C   UNL     1       3.330  -1.955  -1.039  1.00  0.00           C  
HETATM    7  C   UNL     1       4.564  -1.955  -0.422  1.00  0.00           C  
HETATM    8  C   UNL     1       4.942  -0.908   0.420  1.00  0.00           C  
HETATM    9  C   UNL     1       4.095   0.157   0.645  1.00  0.00           C  
HETATM   10  O   UNL     1       4.475   1.169   1.466  1.00  0.00           O  
HETATM   11  C   UNL     1       1.931   1.237   0.249  1.00  0.00           C  
HETATM   12  O   UNL     1       2.271   2.260   1.067  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.320   0.409   0.191  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.087   0.228   0.890  1.00  0.00           O  
HETATM   15  C   UNL     1       1.176  -0.874  -1.442  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.009  -0.922   0.035  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.399  -1.945   0.234  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.460  -0.976  -0.369  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.793  -2.306  -0.773  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.336  -0.570   0.818  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.026  -1.396   1.943  1.00  0.00           O  
HETATM   22  C   UNL     1       0.315   0.156  -1.230  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.810  -0.744   0.448  1.00  0.00           C  
HETATM   24  C   UNL     1       2.440  -0.894  -0.821  1.00  0.00           C  
HETATM   25  C   UNL     1       2.828   0.178   0.026  1.00  0.00           C  
HETATM   26  C   UNL     1       0.683   1.222  -0.382  1.00  0.00           C  
HETATM   27  C   UNL     1       6.296  -0.933   1.082  1.00  0.00           C  
HETATM   28  O   UNL     1       5.421  -2.985  -0.637  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.105   2.941  -2.312  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.202   0.341   2.310  1.00  0.00           C  
HETATM   31  H   UNL     1      -2.221   3.069  -0.573  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.965   1.041  -1.765  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.389  -0.894  -1.956  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.902   0.502  -2.941  1.00  0.00           H  
HETATM   35  H   UNL     1       3.051  -2.771  -1.689  1.00  0.00           H  
HETATM   36  H   UNL     1       4.938   1.888   1.015  1.00  0.00           H  
HETATM   37  H   UNL     1       2.027   2.122   1.992  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.961   1.087   0.754  1.00  0.00           H  
HETATM   39  H   UNL     1       0.887  -1.686  -2.093  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.632  -0.290  -1.198  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.664  -2.971  -0.083  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.145   0.473   1.070  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.172  -2.339   1.790  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.000  -1.788   0.196  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.434  -0.455   1.294  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.046  -0.115  -0.410  1.00  0.00           H  
HETATM   47  H   UNL     1       7.023  -0.438   0.439  1.00  0.00           H  
HETATM   48  H   UNL     1       6.243  -0.414   2.038  1.00  0.00           H  
HETATM   49  H   UNL     1       6.600  -1.967   1.246  1.00  0.00           H  
HETATM   50  H   UNL     1       6.015  -2.853  -1.390  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.712   3.824  -2.279  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.224   0.191   2.767  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.574   1.332   2.567  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.895  -0.415   2.680  1.00  0.00           H  
CONECT    1    2    2   26    3                                       
CONECT    2    1    1                                                 
CONECT    3    1   29    4   31                                       
CONECT    4    3    5   13   32                                       
CONECT    5    4   22   33   34                                       
CONECT    6    7    7   24   35                                       
CONECT    7    6    6    8   28                                       
CONECT    8    7   27    9    9                                       
CONECT    9    8    8   10   25                                       
CONECT   10    9   36                                                 
CONECT   11   12   25   25   26                                       
CONECT   12   11   37                                                 
CONECT   13    4   16   14   38                                       
CONECT   14   13   30                                                 
CONECT   15   24   24   22   39                                       
CONECT   16   13   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   20   40                                       
CONECT   19   18   41                                                 
CONECT   20   18   21   23   42                                       
CONECT   21   20   43                                                 
CONECT   22    5   15   26   26                                       
CONECT   23   20   44   45   46                                       
CONECT   24    6   15   15   25                                       
CONECT   25    9   11   11   24                                       
CONECT   26    1   11   22   22                                       
CONECT   27    8   47   48   49                                       
CONECT   28    7   50                                                 
CONECT   29    3   51                                                 
CONECT   30   14   52   53   54                                       
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
