COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.941   0.330   0.005  1.00  0.00           C  
HETATM    2  C   UNL     1       0.958  -1.784  -0.580  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.450   0.101  -0.010  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.812   0.638   0.164  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.163   0.301   0.094  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.671  -1.460  -0.441  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.794   0.209   1.327  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.740   1.259   0.407  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.825   0.880  -0.980  1.00  0.00           C  
HETATM   10  C   UNL     1       6.717   0.275  -0.985  1.00  0.00           C  
HETATM   11  C   UNL     1       7.196  -0.295   0.349  1.00  0.00           C  
HETATM   12  C   UNL     1       6.137  -1.260   0.897  1.00  0.00           C  
HETATM   13  C   UNL     1       4.880  -0.457   1.160  1.00  0.00           C  
HETATM   14  C   UNL     1       4.481   0.532   0.152  1.00  0.00           C  
HETATM   15  C   UNL     1       5.350   0.880  -0.853  1.00  0.00           C  
HETATM   16  O   UNL     1       4.962   1.795  -1.753  1.00  0.00           O  
HETATM   17  O   UNL     1       4.227  -0.625   2.168  1.00  0.00           O  
HETATM   18  C   UNL     1       3.148   1.152   0.219  1.00  0.00           C  
HETATM   19  O   UNL     1       3.042   2.341   0.451  1.00  0.00           O  
HETATM   20  C   UNL     1       2.066  -1.011  -0.379  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.310  -1.243  -0.406  1.00  0.00           C  
HETATM   22  C   UNL     1       0.676   0.889   0.190  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.858  -0.185  -0.064  1.00  0.00           N  
HETATM   24  O   UNL     1      -1.988   1.792   0.505  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.647  -2.158  -0.634  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.452  -1.998  -0.613  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.081   0.689   1.480  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.111   1.357  -0.821  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.077  -0.414   2.497  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.141   0.987  -2.319  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.330  -3.398  -1.025  1.00  0.00           C  
HETATM   32  H   UNL     1       1.067  -2.817  -0.876  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.745   1.633   0.529  1.00  0.00           H  
HETATM   34  H   UNL     1       7.417   1.041  -1.319  1.00  0.00           H  
HETATM   35  H   UNL     1       6.684  -0.526  -1.724  1.00  0.00           H  
HETATM   36  H   UNL     1       8.135  -0.829   0.201  1.00  0.00           H  
HETATM   37  H   UNL     1       7.349   0.519   1.058  1.00  0.00           H  
HETATM   38  H   UNL     1       5.931  -2.039   0.162  1.00  0.00           H  
HETATM   39  H   UNL     1       6.491  -1.711   1.824  1.00  0.00           H  
HETATM   40  H   UNL     1       4.094   2.199  -1.622  1.00  0.00           H  
HETATM   41  H   UNL     1       3.048  -1.439  -0.517  1.00  0.00           H  
HETATM   42  H   UNL     1       0.574   1.922   0.486  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.572   0.618   2.439  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.628   1.803  -1.658  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.530   0.357   3.040  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.804  -0.879   3.163  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.379  -1.169   2.136  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.350   0.094  -2.907  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.512   1.865  -2.847  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.065   1.081  -2.170  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.323  -3.831  -1.140  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.798  -3.453  -1.975  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.777  -3.953  -0.267  1.00  0.00           H  
CONECT    1   18   22   22   20                                       
CONECT    2   20   20   21   32                                       
CONECT    3   22    4   21   21                                       
CONECT    4   24   24    3   23                                       
CONECT    5    7   23    9    9                                       
CONECT    6   23   26   25   25                                       
CONECT    7   29   27   27    5                                       
CONECT    8   27   28   28   33                                       
CONECT    9    5    5   28   30                                       
CONECT   10   11   15   34   35                                       
CONECT   11   12   10   36   37                                       
CONECT   12   13   11   38   39                                       
CONECT   13   17   17   12   14                                       
CONECT   14   13   18   15   15                                       
CONECT   15   14   14   10   16                                       
CONECT   16   15   40                                                 
CONECT   17   13   13                                                 
CONECT   18   19   19   14    1                                       
CONECT   19   18   18                                                 
CONECT   20    1    2    2   41                                       
CONECT   21    3    3    2   26                                       
CONECT   22    1    1    3   42                                       
CONECT   23    4    5    6                                            
CONECT   24    4    4                                                 
CONECT   25    6    6                                                 
CONECT   26   21    6   31                                            
CONECT   27    7    7    8   43                                       
CONECT   28    8    8    9   44                                       
CONECT   29    7   45   46   47                                       
CONECT   30    9   48   49   50                                       
CONECT   31   26   51   52   53                                       
CONECT   32    2                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   27                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
