COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.089   0.193   0.031  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.346  -0.409   0.014  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.489   0.376   0.130  1.00  0.00           C  
HETATM    4  C   UNL     1       5.834  -1.107  -0.543  1.00  0.00           C  
HETATM    5  C   UNL     1       5.786  -2.397  -0.048  1.00  0.00           C  
HETATM    6  C   UNL     1       4.597  -2.910   0.439  1.00  0.00           C  
HETATM    7  C   UNL     1       3.455  -2.134   0.435  1.00  0.00           C  
HETATM    8  C   UNL     1       4.749   1.082  -1.086  1.00  0.00           C  
HETATM    9  C   UNL     1       4.962   2.049   0.051  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.830  -0.258   0.113  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.976   0.527   0.229  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.221  -0.068   0.213  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.333  -1.441   0.083  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.199  -2.224  -0.032  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.949  -1.640  -0.023  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.461   0.779   0.339  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.372   1.759   0.262  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.124   2.352   0.277  1.00  0.00           C  
HETATM   19  C   UNL     1       0.015   1.580   0.163  1.00  0.00           C  
HETATM   20  C   UNL     1       1.131  -0.634  -0.085  1.00  0.00           C  
HETATM   21  N   UNL     1       2.345  -0.049  -0.069  1.00  0.00           N  
HETATM   22  C   UNL     1       3.500  -0.838  -0.062  1.00  0.00           C  
HETATM   23  C   UNL     1       4.696  -0.324  -0.546  1.00  0.00           C  
HETATM   24  O   UNL     1       5.060   1.638   1.183  1.00  0.00           O  
HETATM   25  O   UNL     1       5.043   3.366  -0.194  1.00  0.00           O  
HETATM   26  O   UNL     1       1.038  -1.841  -0.195  1.00  0.00           O  
HETATM   27  N   UNL     1      -7.911   1.189  -0.998  1.00  0.00           N  
HETATM   28  H   UNL     1      -1.432  -1.481  -0.088  1.00  0.00           H  
HETATM   29  H   UNL     1       6.763  -0.710  -0.924  1.00  0.00           H  
HETATM   30  H   UNL     1       6.678  -3.006  -0.043  1.00  0.00           H  
HETATM   31  H   UNL     1       4.563  -3.918   0.825  1.00  0.00           H  
HETATM   32  H   UNL     1       2.527  -2.536   0.815  1.00  0.00           H  
HETATM   33  H   UNL     1       3.811   1.314  -1.589  1.00  0.00           H  
HETATM   34  H   UNL     1       5.573   1.168  -1.794  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.889   1.598   0.331  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.310  -1.902   0.071  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.293  -3.296  -0.132  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.065  -2.252  -0.118  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.248   0.202   0.826  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.238   1.664   0.935  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.259   2.368   0.351  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.039   3.424   0.379  1.00  0.00           H  
HETATM   43  H   UNL     1       0.988   2.049   0.176  1.00  0.00           H  
HETATM   44  H   UNL     1       2.418   0.918  -0.062  1.00  0.00           H  
HETATM   45  H   UNL     1       5.179   3.947   0.567  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.063   0.387  -1.590  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.742   1.759  -0.941  1.00  0.00           H  
CONECT    1   19   20    2    2                                       
CONECT    2    1    1    3   28                                       
CONECT    3   17   17    2   10                                       
CONECT    4    5    5   23   29                                       
CONECT    5    6    4    4   30                                       
CONECT    6    7    7    5   31                                       
CONECT    7    6    6   22   32                                       
CONECT    8   23    9   33   34                                       
CONECT    9    8   24   24   25                                       
CONECT   10    3   11   11   15                                       
CONECT   11   10   10   12   35                                       
CONECT   12   11   16   13   13                                       
CONECT   13   12   12   14   36                                       
CONECT   14   15   15   13   37                                       
CONECT   15   10   14   14   38                                       
CONECT   16   12   27   39   40                                       
CONECT   17   18    3    3   41                                       
CONECT   18   19   19   17   42                                       
CONECT   19   18   18    1   43                                       
CONECT   20   26   26    1   21                                       
CONECT   21   20   22   44                                            
CONECT   22    7   21   23   23                                       
CONECT   23   22   22    4    8                                       
CONECT   24    9    9                                                 
CONECT   25    9   45                                                 
CONECT   26   20   20                                                 
CONECT   27   16   46   47                                            
CONECT   28    2                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
