COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.026   3.417  -0.691  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.019   2.405  -0.518  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.579   1.151  -0.228  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.491   0.115  -0.046  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.826   0.352  -0.156  1.00  0.00           O  
HETATM    6  C   UNL     1      -6.701  -0.760   0.044  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.033  -1.157   0.246  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.672  -1.404   0.358  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.224   0.898  -0.119  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.769  -0.378   0.182  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.284  -0.597   0.305  1.00  0.00           C  
HETATM   12  C   UNL     1       0.433   0.164  -0.813  1.00  0.00           C  
HETATM   13  C   UNL     1       1.924   0.049  -0.623  1.00  0.00           C  
HETATM   14  N   UNL     1       0.035  -2.024   0.200  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.773  -2.798   1.155  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.222  -2.809   0.667  1.00  0.00           C  
HETATM   17  C   UNL     1       2.615  -0.997  -1.206  1.00  0.00           C  
HETATM   18  C   UNL     1       3.982  -1.106  -1.034  1.00  0.00           C  
HETATM   19  C   UNL     1       4.663  -0.166  -0.277  1.00  0.00           C  
HETATM   20  O   UNL     1       6.007  -0.275  -0.103  1.00  0.00           O  
HETATM   21  C   UNL     1       6.656  -1.381  -0.734  1.00  0.00           C  
HETATM   22  C   UNL     1       3.967   0.886   0.310  1.00  0.00           C  
HETATM   23  C   UNL     1       2.598   0.993   0.130  1.00  0.00           C  
HETATM   24  O   UNL     1       4.631   1.811   1.054  1.00  0.00           O  
HETATM   25  C   UNL     1       3.852   2.864   1.625  1.00  0.00           C  
HETATM   26  H   UNL     1      -2.366   3.141  -1.513  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.510   4.367  -0.917  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.444   3.515   0.225  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.734  -0.434  -0.071  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.479  -1.533  -0.691  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.556  -1.161   1.048  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.738  -1.962   0.388  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.515   1.701  -0.260  1.00  0.00           H  
HETATM   34  H   UNL     1       0.056  -0.222   1.270  1.00  0.00           H  
HETATM   35  H   UNL     1       0.156  -0.262  -1.777  1.00  0.00           H  
HETATM   36  H   UNL     1       0.143   1.214  -0.782  1.00  0.00           H  
HETATM   37  H   UNL     1       1.021  -2.186   0.345  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.397  -3.820   1.209  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.722  -2.333   2.139  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.862  -3.232   1.442  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.296  -3.420  -0.233  1.00  0.00           H  
HETATM   42  H   UNL     1       2.086  -1.730  -1.796  1.00  0.00           H  
HETATM   43  H   UNL     1       4.520  -1.924  -1.490  1.00  0.00           H  
HETATM   44  H   UNL     1       7.723  -1.350  -0.516  1.00  0.00           H  
HETATM   45  H   UNL     1       6.235  -2.313  -0.356  1.00  0.00           H  
HETATM   46  H   UNL     1       6.503  -1.325  -1.812  1.00  0.00           H  
HETATM   47  H   UNL     1       2.055   1.809   0.584  1.00  0.00           H  
HETATM   48  H   UNL     1       3.361   3.425   0.831  1.00  0.00           H  
HETATM   49  H   UNL     1       3.099   2.440   2.289  1.00  0.00           H  
HETATM   50  H   UNL     1       4.502   3.530   2.192  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    3    1                                                 
CONECT    3    9    9    4    2                                       
CONECT    4    7    7    3    5                                       
CONECT    5    4    6                                                 
CONECT    6    5   29   30   31                                       
CONECT    7    8    4    4   32                                       
CONECT    8   16   10   10    7                                       
CONECT    9   10    3    3   33                                       
CONECT   10   11    8    8    9                                       
CONECT   11   14   12   10   34                                       
CONECT   12   13   11   35   36                                       
CONECT   13   23   23   17   12                                       
CONECT   14   15   11   37                                            
CONECT   15   14   16   38   39                                       
CONECT   16   15    8   40   41                                       
CONECT   17   18   18   13   42                                       
CONECT   18   19   17   17   43                                       
CONECT   19   20   22   22   18                                       
CONECT   20   21   19                                                 
CONECT   21   20   44   45   46                                       
CONECT   22   24   19   19   23                                       
CONECT   23   22   13   13   47                                       
CONECT   24   25   22                                                 
CONECT   25   24   48   49   50                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
