COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.210   3.449   1.342  1.00  0.00           C  
HETATM    2  O   UNL     1       5.642   2.234   0.726  1.00  0.00           O  
HETATM    3  C   UNL     1       4.674   1.386   0.287  1.00  0.00           C  
HETATM    4  C   UNL     1       3.337   1.721   0.440  1.00  0.00           C  
HETATM    5  C   UNL     1       5.024   0.187  -0.322  1.00  0.00           C  
HETATM    6  O   UNL     1       6.337  -0.141  -0.477  1.00  0.00           O  
HETATM    7  C   UNL     1       6.952  -0.875   0.584  1.00  0.00           C  
HETATM    8  C   UNL     1       4.034  -0.679  -0.771  1.00  0.00           C  
HETATM    9  O   UNL     1       4.376  -1.853  -1.366  1.00  0.00           O  
HETATM   10  C   UNL     1       3.306  -2.694  -1.804  1.00  0.00           C  
HETATM   11  C   UNL     1       2.698  -0.345  -0.612  1.00  0.00           C  
HETATM   12  C   UNL     1       2.349   0.856  -0.009  1.00  0.00           C  
HETATM   13  N   UNL     1       0.999   1.194   0.146  1.00  0.00           N  
HETATM   14  C   UNL     1       0.056   0.205   0.314  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.273   0.406   0.354  1.00  0.00           O  
HETATM   16  N   UNL     1       0.321  -1.069   0.451  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.852  -1.746   0.594  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.170  -3.094   0.772  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.489  -3.481   0.888  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.505  -2.544   0.830  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.207  -1.195   0.653  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.876  -0.792   0.531  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.298  -0.193   0.590  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.528   0.524  -0.589  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.936   0.537  -1.834  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.599   1.456  -2.588  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.551   2.002  -1.889  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.563   1.470  -0.640  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.356   1.686   0.491  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.120   0.974   1.645  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.103   0.035   1.701  1.00  0.00           C  
HETATM   32  H   UNL     1       6.079   4.032   1.646  1.00  0.00           H  
HETATM   33  H   UNL     1       4.616   4.025   0.632  1.00  0.00           H  
HETATM   34  H   UNL     1       4.604   3.217   2.218  1.00  0.00           H  
HETATM   35  H   UNL     1       3.065   2.655   0.909  1.00  0.00           H  
HETATM   36  H   UNL     1       6.902  -0.294   1.504  1.00  0.00           H  
HETATM   37  H   UNL     1       6.429  -1.821   0.722  1.00  0.00           H  
HETATM   38  H   UNL     1       7.995  -1.069   0.333  1.00  0.00           H  
HETATM   39  H   UNL     1       3.716  -3.595  -2.259  1.00  0.00           H  
HETATM   40  H   UNL     1       2.687  -2.968  -0.950  1.00  0.00           H  
HETATM   41  H   UNL     1       2.700  -2.160  -2.536  1.00  0.00           H  
HETATM   42  H   UNL     1       1.928  -1.018  -0.961  1.00  0.00           H  
HETATM   43  H   UNL     1       0.729   2.126   0.135  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.384  -3.833   0.818  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.730  -4.525   1.025  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.533  -2.860   0.922  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.186  -0.007  -2.120  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.368   1.697  -3.615  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.155   2.413   0.459  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.736   1.146   2.516  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.929  -0.516   2.613  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3   12   35                                       
CONECT    5    3    6    8    8                                       
CONECT    6    7    5                                                 
CONECT    7    6   36   37   38                                       
CONECT    8    5    5   11    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   39   40   41                                       
CONECT   11   12   12    8   42                                       
CONECT   12    4   13   11   11                                       
CONECT   13   14   12   43                                            
CONECT   14   13   16   16   15                                       
CONECT   15   14   22                                                 
CONECT   16   14   14   17                                            
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   44                                       
CONECT   19   18   20   20   45                                       
CONECT   20   19   19   21   46                                       
CONECT   21   22   22   20   23                                       
CONECT   22   15   17   21   21                                       
CONECT   23   31   21   24   24                                       
CONECT   24   23   23   28   25                                       
CONECT   25   24   26   47                                            
CONECT   26   25   27   27   48                                       
CONECT   27   28   26   26                                            
CONECT   28   29   29   24   27                                       
CONECT   29   30   28   28   49                                       
CONECT   30   31   31   29   50                                       
CONECT   31   30   30   23   51                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
