COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.045   1.278   2.466  1.00  0.00           O  
HETATM    2  C   UNL     1       3.556   0.643   1.560  1.00  0.00           C  
HETATM    3  O   UNL     1       4.405  -0.353   1.858  1.00  0.00           O  
HETATM    4  C   UNL     1       5.000  -1.089   0.896  1.00  0.00           C  
HETATM    5  C   UNL     1       4.734  -0.819  -0.456  1.00  0.00           C  
HETATM    6  C   UNL     1       5.346  -1.579  -1.455  1.00  0.00           C  
HETATM    7  C   UNL     1       6.211  -2.592  -1.105  1.00  0.00           C  
HETATM    8  C   UNL     1       6.473  -2.859   0.231  1.00  0.00           C  
HETATM    9  C   UNL     1       5.875  -2.115   1.227  1.00  0.00           C  
HETATM   10  C   UNL     1       3.805   0.271  -0.794  1.00  0.00           C  
HETATM   11  O   UNL     1       3.514   0.564  -2.082  1.00  0.00           O  
HETATM   12  C   UNL     1       3.235   0.970   0.233  1.00  0.00           C  
HETATM   13  C   UNL     1       2.276   2.096  -0.058  1.00  0.00           C  
HETATM   14  C   UNL     1       0.863   1.577  -0.011  1.00  0.00           C  
HETATM   15  C   UNL     1       0.065   1.755  -1.035  1.00  0.00           C  
HETATM   16  C   UNL     1       0.508   2.607  -2.196  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.296   1.108  -1.051  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.339   2.100  -0.532  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.700   1.453  -0.549  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.373   1.315   0.567  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.736   1.682   1.882  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.785   0.788   0.534  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.772  -0.721   0.782  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.184  -1.247   0.750  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.540  -2.112  -0.168  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.543  -2.566  -1.202  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.946  -2.652  -0.189  1.00  0.00           C  
HETATM   28  H   UNL     1       5.143  -1.373  -2.495  1.00  0.00           H  
HETATM   29  H   UNL     1       6.687  -3.183  -1.874  1.00  0.00           H  
HETATM   30  H   UNL     1       7.153  -3.656   0.494  1.00  0.00           H  
HETATM   31  H   UNL     1       6.087  -2.332   2.264  1.00  0.00           H  
HETATM   32  H   UNL     1       3.974   0.007  -2.726  1.00  0.00           H  
HETATM   33  H   UNL     1       2.400   2.881   0.688  1.00  0.00           H  
HETATM   34  H   UNL     1       2.482   2.501  -1.049  1.00  0.00           H  
HETATM   35  H   UNL     1       0.507   1.058   0.867  1.00  0.00           H  
HETATM   36  H   UNL     1       1.105   2.005  -2.881  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.367   2.993  -2.718  1.00  0.00           H  
HETATM   38  H   UNL     1       1.108   3.440  -1.828  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.547   0.817  -2.071  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.286   0.224  -0.413  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.087   2.391   0.488  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.349   2.984  -1.170  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.120   1.103  -1.480  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.848   2.752   2.054  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.222   1.132   2.688  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.676   1.427   1.856  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.373   1.279   1.309  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.226   0.993  -0.441  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.184  -1.212   0.007  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.331  -0.926   1.758  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.902  -0.912   1.483  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.946  -3.384  -0.797  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.072  -2.909  -2.091  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.889  -1.735  -1.466  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.517  -2.212   0.629  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.418  -2.400  -1.138  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.921  -3.736  -0.072  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   12    1    1    3                                       
CONECT    3    2    4                                                 
CONECT    4    5    3    9    9                                       
CONECT    5   10    6    6    4                                       
CONECT    6    5    5    7   28                                       
CONECT    7    6    8    8   29                                       
CONECT    8    7    7    9   30                                       
CONECT    9    4    4    8   31                                       
CONECT   10   11   12   12    5                                       
CONECT   11   10   32                                                 
CONECT   12   13   10   10    2                                       
CONECT   13   14   12   33   34                                       
CONECT   14   15   15   13   35                                       
CONECT   15   17   16   14   14                                       
CONECT   16   15   36   37   38                                       
CONECT   17   18   15   39   40                                       
CONECT   18   19   17   41   42                                       
CONECT   19   20   20   18   43                                       
CONECT   20   22   21   19   19                                       
CONECT   21   20   44   45   46                                       
CONECT   22   23   20   47   48                                       
CONECT   23   24   22   49   50                                       
CONECT   24   25   25   23   51                                       
CONECT   25   26   27   24   24                                       
CONECT   26   25   52   53   54                                       
CONECT   27   25   55   56   57                                       
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
