COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.995  -0.224   1.929  1.00  0.00           C  
HETATM    2  O   UNL     1       0.791  -0.554   3.330  1.00  0.00           O  
HETATM    3  C   UNL     1      -0.105  -0.794   1.037  1.00  0.00           C  
HETATM    4  C   UNL     1       0.973   1.302   1.827  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.423  -0.807   3.893  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.545  -1.368   4.964  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.576  -0.348   3.092  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.382  -0.336   1.682  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.838   0.096   3.288  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.492   0.171   1.114  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.462   0.359  -0.341  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.381   0.398   2.083  1.00  0.00           O  
HETATM   13  O   UNL     1      -3.472   0.633  -0.967  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.137   0.194  -0.999  1.00  0.00           C  
HETATM   15  O   UNL     1       2.327   0.118  -0.434  1.00  0.00           O  
HETATM   16  C   UNL     1       1.244  -0.550  -1.135  1.00  0.00           C  
HETATM   17  C   UNL     1       3.573  -0.375  -0.495  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.059  -0.334  -0.402  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.034   0.679  -2.407  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.049  -2.325   1.085  1.00  0.00           C  
HETATM   21  C   UNL     1       1.277  -0.060  -2.582  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.091  -0.261  -3.194  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.532  -1.719  -3.079  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.274   0.202  -4.613  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.300   0.641  -3.265  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.732   0.642  -4.712  1.00  0.00           C  
HETATM   27  O   UNL     1       0.559   0.222  -5.484  1.00  0.00           O  
HETATM   28  O   UNL     1       3.794  -1.377  -1.133  1.00  0.00           O  
HETATM   29  C   UNL     1       4.696   0.318   0.230  1.00  0.00           C  
HETATM   30  O   UNL     1       1.982   1.851   2.676  1.00  0.00           O  
HETATM   31  C   UNL     1       1.911   3.272   2.537  1.00  0.00           C  
HETATM   32  H   UNL     1       1.956  -0.604   1.625  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.003   1.672   2.138  1.00  0.00           H  
HETATM   34  H   UNL     1       1.163   1.600   0.796  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.331   0.197   4.244  1.00  0.00           H  
HETATM   36  H   UNL     1       1.470  -1.621  -1.135  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.626   1.695  -2.408  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.082  -2.657   2.123  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.902  -2.737   0.545  1.00  0.00           H  
HETATM   40  H   UNL     1       0.875  -2.670   0.623  1.00  0.00           H  
HETATM   41  H   UNL     1       1.546   0.998  -2.607  1.00  0.00           H  
HETATM   42  H   UNL     1       2.022  -0.630  -3.145  1.00  0.00           H  
HETATM   43  H   UNL     1       0.188  -2.357  -3.591  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.585  -2.000  -2.028  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.513  -1.838  -3.538  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.886  -0.255  -3.074  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.907   1.533  -3.093  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.293  -0.056  -5.333  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.792   1.645  -5.135  1.00  0.00           H  
HETATM   50  H   UNL     1       5.626  -0.224   0.065  1.00  0.00           H  
HETATM   51  H   UNL     1       4.798   1.336  -0.145  1.00  0.00           H  
HETATM   52  H   UNL     1       4.476   0.346   1.297  1.00  0.00           H  
HETATM   53  H   UNL     1       2.667   3.737   3.170  1.00  0.00           H  
HETATM   54  H   UNL     1       2.090   3.544   1.497  1.00  0.00           H  
HETATM   55  H   UNL     1       0.922   3.617   2.839  1.00  0.00           H  
CONECT    1    2    3    4   32                                       
CONECT    2    1    5                                                 
CONECT    3    1    8   18   20                                       
CONECT    4    1   30   33   34                                       
CONECT    5    2    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    9    9                                       
CONECT    8    3    7   10   10                                       
CONECT    9    7    7   12   35                                       
CONECT   10    8    8   11   12                                       
CONECT   11   10   13   13   14                                       
CONECT   12    9   10                                                 
CONECT   13   11   11                                                 
CONECT   14   11   18   18   19                                       
CONECT   15   16   17                                                 
CONECT   16   15   18   21   36                                       
CONECT   17   15   28   28   29                                       
CONECT   18    3   14   14   16                                       
CONECT   19   14   22   25   37                                       
CONECT   20    3   38   39   40                                       
CONECT   21   16   22   41   42                                       
CONECT   22   19   21   23   24                                       
CONECT   23   22   43   44   45                                       
CONECT   24   22   26   27   27                                       
CONECT   25   19   26   46   47                                       
CONECT   26   24   25   48   49                                       
CONECT   27   24   24                                                 
CONECT   28   17   17                                                 
CONECT   29   17   50   51   52                                       
CONECT   30    4   31                                                 
CONECT   31   30   53   54   55                                       
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    9                                                      
CONECT   36   16                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
