COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.465   0.342  -1.345  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.218   0.930  -2.542  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.076  -0.019  -3.736  1.00  0.00           C  
HETATM    4  C   UNL     1       0.413  -0.290  -3.972  1.00  0.00           C  
HETATM    5  C   UNL     1       1.042  -0.787  -2.668  1.00  0.00           C  
HETATM    6  C   UNL     1       2.522  -1.094  -2.902  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.599   1.081  -2.210  1.00  0.00           O  
HETATM    8  O   UNL     1      -1.646   0.584  -4.899  1.00  0.00           O  
HETATM    9  O   UNL     1       0.564  -1.286  -4.985  1.00  0.00           O  
HETATM   10  O   UNL     1       0.919   0.215  -1.661  1.00  0.00           O  
HETATM   11  O   UNL     1       3.109  -1.561  -1.685  1.00  0.00           O  
HETATM   12  C   UNL     1       0.592  -0.185   3.514  1.00  0.00           C  
HETATM   13  C   UNL     1       1.659   0.471   2.670  1.00  0.00           C  
HETATM   14  C   UNL     1       0.966   1.328   1.603  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.122   0.497   0.917  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.268   0.243   1.902  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.238  -0.781   1.310  1.00  0.00           C  
HETATM   18  O   UNL     1       2.483   1.299   3.492  1.00  0.00           O  
HETATM   19  O   UNL     1       1.926   1.751   0.632  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.618   1.207  -0.218  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.709  -0.275   3.153  1.00  0.00           N  
HETATM   22  O   UNL     1      -3.297  -1.025   2.238  1.00  0.00           O  
HETATM   23  N   UNL     1       0.740  -0.748   4.677  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.447  -1.212   5.098  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.367  -0.923   4.155  1.00  0.00           C  
HETATM   26  H   UNL     1      -0.875  -0.639  -1.107  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.795   1.902  -2.796  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.590  -0.956  -3.522  1.00  0.00           H  
HETATM   29  H   UNL     1       0.906   0.629  -4.288  1.00  0.00           H  
HETATM   30  H   UNL     1       0.531  -1.693  -2.341  1.00  0.00           H  
HETATM   31  H   UNL     1       3.034  -0.189  -3.228  1.00  0.00           H  
HETATM   32  H   UNL     1       2.617  -1.862  -3.669  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.641   1.680  -1.451  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.579   0.748  -4.701  1.00  0.00           H  
HETATM   35  H   UNL     1       0.148  -0.936  -5.785  1.00  0.00           H  
HETATM   36  H   UNL     1       4.040  -1.743  -1.876  1.00  0.00           H  
HETATM   37  H   UNL     1       2.269  -0.293   2.189  1.00  0.00           H  
HETATM   38  H   UNL     1       0.515   2.201   2.074  1.00  0.00           H  
HETATM   39  H   UNL     1       0.297  -0.455   0.595  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.796   1.176   2.097  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.653  -0.393   0.380  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.707  -1.712   1.112  1.00  0.00           H  
HETATM   43  H   UNL     1       2.897   0.719   4.147  1.00  0.00           H  
HETATM   44  H   UNL     1       2.591   2.269   1.105  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.885  -1.674   1.828  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.633  -1.726   6.030  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.420  -1.161   4.188  1.00  0.00           H  
CONECT    1    2   10   20   26                                       
CONECT    2    1    3    7   27                                       
CONECT    3    2    4    8   28                                       
CONECT    4    3    5    9   29                                       
CONECT    5    4    6   10   30                                       
CONECT    6    5   11   31   32                                       
CONECT    7    2   33                                                 
CONECT    8    3   34                                                 
CONECT    9    4   35                                                 
CONECT   10    1    5                                                 
CONECT   11    6   36                                                 
CONECT   12   13   21   23   23                                       
CONECT   13   12   14   18   37                                       
CONECT   14   13   15   19   38                                       
CONECT   15   14   16   20   39                                       
CONECT   16   15   17   21   40                                       
CONECT   17   16   22   41   42                                       
CONECT   18   13   43                                                 
CONECT   19   14   44                                                 
CONECT   20    1   15                                                 
CONECT   21   12   16   25                                            
CONECT   22   17   45                                                 
CONECT   23   12   12   24                                            
CONECT   24   23   25   25   46                                       
CONECT   25   21   24   24   47                                       
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
